Browse entries in the PDBbind-CN Database
HEADER 4ZZ2_COMPLEX COMPND 4ZZ2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 200 ALA ARG VAL ALA VAL LEU ILE SER GLY THR GLY SER ASN SEQRES 2 A 200 LEU GLN ALA LEU ILE ASP SER THR ARG GLU PRO ASN SER SEQRES 3 A 200 SER ALA GLN ILE ASP ILE VAL ILE SER ASN LYS ALA ALA SEQRES 4 A 200 VAL ALA GLY LEU ASP LYS ALA GLU ARG ALA GLY ILE PRO SEQRES 5 A 200 THR ARG VAL ILE ASN HIS LYS LEU TYR LYS ASN ARG VAL SEQRES 6 A 200 GLU PHE ASP SER ALA ILE ASP LEU VAL LEU GLU GLU PHE SEQRES 7 A 200 SER ILE ASP ILE VAL CYS LEU ALA GLY PHE MET ARG ILE SEQRES 8 A 200 LEU SER GLY PRO PHE VAL GLN LYS TRP ASN GLY LYS MET SEQRES 9 A 200 LEU ASN ILE HIS PRO SER LEU LEU PRO SER PHE LYS GLY SEQRES 10 A 200 SER ASN ALA HIS GLU GLN ALA LEU GLU THR GLY VAL THR SEQRES 11 A 200 VAL THR GLY CYS THR VAL HIS PHE VAL ALA GLU ASP VAL SEQRES 12 A 200 ASP ALA GLY GLN ILE ILE LEU GLN GLU ALA VAL PRO VAL SEQRES 13 A 200 LYS ARG GLY ASP THR VAL ALA THR LEU SER GLU ARG VAL SEQRES 14 A 200 LYS LEU ALA GLU HIS LYS ILE PHE PRO ALA ALA LEU GLN SEQRES 15 A 200 LEU VAL ALA SER GLY THR VAL GLN LEU GLY GLU ASN GLY SEQRES 16 A 200 LYS ILE CYS TRP VAL HET UNN A 501 51 ATOM 1 N ALA A 808 35.756 23.483 12.724 1.00 13.17 N ATOM 2 CA ALA A 808 36.382 22.236 13.150 1.00 12.63 C ATOM 3 C ALA A 808 35.598 21.602 14.275 1.00 11.45 C ATOM 4 O ALA A 808 35.079 22.296 15.161 1.00 12.39 O ATOM 5 CB ALA A 808 37.822 22.479 13.585 1.00 14.62 C ATOM 6 HN3 ALA A 808 35.723 24.144 13.526 1.00 0.00 H ATOM 7 HN2 ALA A 808 34.789 23.289 12.393 1.00 0.00 H ATOM 8 HN1 ALA A 808 36.311 23.902 11.950 1.00 0.00 H ATOM 9 N ARG A 809 35.534 20.277 14.234 1.00 11.55 N ATOM 10 CA ARG A 809 34.752 19.486 15.172 1.00 11.02 C ATOM 11 C ARG A 809 35.653 18.991 16.288 1.00 11.72 C ATOM 12 O ARG A 809 36.696 18.393 16.017 1.00 11.36 O ATOM 13 CB ARG A 809 34.098 18.320 14.432 1.00 11.27 C ATOM 14 CG ARG A 809 33.111 18.803 13.366 1.00 11.75 C ATOM 15 CD ARG A 809 32.518 17.652 12.542 1.00 12.99 C ATOM 16 NE ARG A 809 31.803 16.731 13.418 1.00 13.47 N ATOM 17 CZ ARG A 809 30.570 16.938 13.864 1.00 16.01 C ATOM 18 NH1 ARG A 809 29.881 18.005 13.462 1.00 15.36 N ATOM 19 NH2 ARG A 809 30.020 16.060 14.696 1.00 15.26 N ATOM 20 HE ARG A 809 32.289 15.859 13.711 1.00 0.00 H ATOM 21 HH12 ARG A 809 28.915 18.163 13.814 1.00 0.00 H ATOM 22 HH11 ARG A 809 30.309 18.680 12.796 1.00 0.00 H ATOM 23 HH22 ARG A 809 29.055 16.214 15.051 1.00 0.00 H ATOM 24 HH21 ARG A 809 30.555 15.219 14.993 1.00 0.00 H ATOM 25 H ARG A 809 36.070 19.779 13.494 1.00 0.00 H ATOM 26 N VAL A 810 35.254 19.241 17.537 1.00 10.43 N ATOM 27 CA VAL A 810 36.137 19.027 18.684 1.00 11.02 C ATOM 28 C VAL A 810 35.550 18.018 19.673 1.00 12.40 C ATOM 29 O VAL A 810 34.354 18.036 19.974 1.00 12.76 O ATOM 30 CB VAL A 810 36.410 20.363 19.401 1.00 9.40 C ATOM 31 CG1 VAL A 810 37.317 20.162 20.624 1.00 13.19 C ATOM 32 CG2 VAL A 810 37.030 21.355 18.440 1.00 11.69 C ATOM 33 H VAL A 810 34.290 19.597 17.699 1.00 0.00 H ATOM 34 N ALA A 811 36.407 17.126 20.162 1.00 11.49 N ATOM 35 CA ALA A 811 36.094 16.280 21.306 1.00 11.93 C ATOM 36 C ALA A 811 36.877 16.790 22.493 1.00 12.43 C ATOM 37 O ALA A 811 38.049 17.124 22.344 1.00 13.12 O ATOM 38 CB ALA A 811 36.466 14.848 21.030 1.00 13.62 C ATOM 39 H ALA A 811 37.338 17.029 19.709 1.00 0.00 H ATOM 40 N VAL A 812 36.247 16.858 23.662 1.00 12.14 N ATOM 41 CA VAL A 812 36.975 17.197 24.884 1.00 12.48 C ATOM 42 C VAL A 812 36.981 15.973 25.782 1.00 13.66 C ATOM 43 O VAL A 812 35.926 15.401 26.085 1.00 14.92 O ATOM 44 CB VAL A 812 36.355 18.394 25.629 1.00 11.95 C ATOM 45 CG1 VAL A 812 37.191 18.743 26.871 1.00 13.34 C ATOM 46 CG2 VAL A 812 36.261 19.608 24.711 1.00 13.34 C ATOM 47 H VAL A 812 35.226 16.668 23.708 1.00 0.00 H ATOM 48 N LEU A 813 38.181 15.554 26.173 1.00 12.63 N ATOM 49 CA LEU A 813 38.361 14.428 27.078 1.00 14.33 C ATOM 50 C LEU A 813 38.631 14.947 28.484 1.00 15.13 C ATOM 51 O LEU A 813 39.450 15.850 28.671 1.00 15.17 O ATOM 52 CB LEU A 813 39.515 13.538 26.609 1.00 14.75 C ATOM 53 CG LEU A 813 39.189 12.458 25.579 1.00 17.26 C ATOM 54 CD1 LEU A 813 38.433 13.000 24.372 1.00 18.00 C ATOM 55 CD2 LEU A 813 40.468 11.753 25.148 1.00 18.29 C ATOM 56 H LEU A 813 39.024 16.050 25.819 1.00 0.00 H ATOM 57 N ILE A 814 37.938 14.381 29.472 1.00 14.86 N ATOM 58 CA ILE A 814 38.046 14.831 30.864 1.00 15.79 C ATOM 59 C ILE A 814 38.217 13.653 31.810 1.00 19.73 C ATOM 60 O ILE A 814 37.928 12.510 31.436 1.00 17.61 O ATOM 61 CB ILE A 814 36.804 15.634 31.294 1.00 15.24 C ATOM 62 CG1 ILE A 814 35.556 14.745 31.256 1.00 17.72 C ATOM 63 CG2 ILE A 814 36.611 16.842 30.384 1.00 16.49 C ATOM 64 CD1 ILE A 814 34.320 15.383 31.887 1.00 21.73 C ATOM 65 H ILE A 814 37.298 13.592 29.248 1.00 0.00 H ATOM 66 N SER A 815 38.675 13.927 33.035 1.00 16.89 N ATOM 67 CA SER A 815 38.637 12.923 34.097 1.00 18.32 C ATOM 68 C SER A 815 37.978 13.434 35.373 1.00 20.40 C ATOM 69 O SER A 815 37.795 12.668 36.305 1.00 22.13 O ATOM 70 CB SER A 815 40.051 12.425 34.442 1.00 18.98 C ATOM 71 OG SER A 815 40.675 11.841 33.309 1.00 19.31 O ATOM 72 HG SER A 815 40.135 11.073 32.996 1.00 0.00 H ATOM 73 H SER A 815 39.065 14.870 33.236 1.00 0.00 H ATOM 74 N GLY A 816 37.620 14.715 35.431 1.00 19.01 N ATOM 75 CA GLY A 816 37.170 15.271 36.696 1.00 20.56 C ATOM 76 C GLY A 816 36.229 16.459 36.656 1.00 18.70 C ATOM 77 O GLY A 816 35.180 16.421 36.019 1.00 21.13 O ATOM 78 H GLY A 816 37.662 15.311 34.580 1.00 0.00 H ATOM 79 N THR A 817 36.625 17.516 37.362 1.00 19.09 N ATOM 80 CA THR A 817 35.767 18.661 37.638 1.00 20.96 C ATOM 81 C THR A 817 35.244 19.354 36.379 1.00 19.37 C ATOM 82 O THR A 817 34.060 19.692 36.291 1.00 20.10 O ATOM 83 CB THR A 817 36.523 19.683 38.507 1.00 21.14 C ATOM 84 OG1 THR A 817 36.910 19.056 39.740 1.00 23.68 O ATOM 85 CG2 THR A 817 35.644 20.891 38.804 1.00 23.79 C ATOM 86 HG1 THR A 817 37.397 19.709 40.303 1.00 0.00 H ATOM 87 H THR A 817 37.596 17.525 37.735 1.00 0.00 H ATOM 88 N GLY A 818 36.125 19.578 35.412 1.00 16.44 N ATOM 89 CA GLY A 818 35.706 20.124 34.137 1.00 15.46 C ATOM 90 C GLY A 818 35.675 21.642 34.021 1.00 16.85 C ATOM 91 O GLY A 818 34.968 22.168 33.154 1.00 14.98 O ATOM 92 H GLY A 818 37.129 19.359 35.571 1.00 0.00 H ATOM 93 N SER A 819 36.452 22.353 34.838 1.00 14.27 N ATOM 94 CA SER A 819 36.509 23.810 34.685 1.00 15.24 C ATOM 95 C SER A 819 37.131 24.194 33.344 1.00 14.06 C ATOM 96 O SER A 819 36.680 25.144 32.713 1.00 13.08 O ATOM 97 CB SER A 819 37.270 24.476 35.836 1.00 13.68 C ATOM 98 OG SER A 819 38.666 24.213 35.776 1.00 14.35 O ATOM 99 HG SER A 819 39.030 24.560 34.923 1.00 0.00 H ATOM 100 H SER A 819 37.012 21.879 35.576 1.00 0.00 H ATOM 101 N ASN A 820 38.147 23.463 32.892 1.00 12.20 N ATOM 102 CA ASN A 820 38.682 23.745 31.562 1.00 11.50 C ATOM 103 C ASN A 820 37.648 23.454 30.475 1.00 12.42 C ATOM 104 O ASN A 820 37.501 24.238 29.537 1.00 12.83 O ATOM 105 CB ASN A 820 39.969 22.963 31.310 1.00 11.32 C ATOM 106 CG ASN A 820 41.186 23.686 31.840 1.00 11.60 C ATOM 107 OD1 ASN A 820 41.621 24.691 31.277 1.00 12.84 O ATOM 108 ND2 ASN A 820 41.738 23.189 32.933 1.00 13.10 N ATOM 109 HD22 ASN A 820 41.338 22.338 33.377 1.00 0.00 H ATOM 110 HD21 ASN A 820 42.572 23.649 33.350 1.00 0.00 H ATOM 111 H ASN A 820 38.553 22.704 33.475 1.00 0.00 H ATOM 112 N LEU A 821 36.913 22.353 30.614 1.00 12.04 N ATOM 113 CA LEU A 821 35.813 22.065 29.702 1.00 12.97 C ATOM 114 C LEU A 821 34.828 23.232 29.649 1.00 13.05 C ATOM 115 O LEU A 821 34.434 23.659 28.561 1.00 13.37 O ATOM 116 CB LEU A 821 35.088 20.782 30.123 1.00 13.51 C ATOM 117 CG LEU A 821 33.759 20.514 29.412 1.00 14.06 C ATOM 118 CD1 LEU A 821 33.926 20.352 27.897 1.00 16.11 C ATOM 119 CD2 LEU A 821 33.113 19.286 30.021 1.00 17.48 C ATOM 120 H LEU A 821 37.127 21.688 31.385 1.00 0.00 H ATOM 121 N GLN A 822 34.452 23.770 30.805 1.00 12.58 N ATOM 122 CA GLN A 822 33.477 24.858 30.808 1.00 12.72 C ATOM 123 C GLN A 822 34.004 26.093 30.071 1.00 12.98 C ATOM 124 O GLN A 822 33.264 26.735 29.327 1.00 13.51 O ATOM 125 CB GLN A 822 33.064 25.246 32.226 1.00 16.18 C ATOM 126 CG GLN A 822 31.959 26.295 32.222 1.00 16.79 C ATOM 127 CD GLN A 822 30.661 25.773 31.623 1.00 19.33 C ATOM 128 OE1 GLN A 822 30.150 24.737 32.045 1.00 25.75 O ATOM 129 NE2 GLN A 822 30.122 26.493 30.648 1.00 21.24 N ATOM 130 HE22 GLN A 822 30.591 27.363 30.324 1.00 0.00 H ATOM 131 HE21 GLN A 822 29.231 26.188 30.208 1.00 0.00 H ATOM 132 H GLN A 822 34.849 23.419 31.700 1.00 0.00 H ATOM 133 N ALA A 823 35.275 26.433 30.277 1.00 12.41 N ATOM 134 CA ALA A 823 35.837 27.577 29.559 1.00 11.54 C ATOM 135 C ALA A 823 35.846 27.341 28.048 1.00 11.74 C ATOM 136 O ALA A 823 35.639 28.279 27.276 1.00 12.68 O ATOM 137 CB ALA A 823 37.233 27.878 30.053 1.00 11.72 C ATOM 138 H ALA A 823 35.862 25.890 30.942 1.00 0.00 H ATOM 139 N LEU A 824 36.076 26.098 27.630 1.00 11.42 N ATOM 140 CA LEU A 824 36.036 25.755 26.204 1.00 11.21 C ATOM 141 C LEU A 824 34.605 25.793 25.671 1.00 13.33 C ATOM 142 O LEU A 824 34.385 26.222 24.540 1.00 13.97 O ATOM 143 CB LEU A 824 36.665 24.373 25.955 1.00 11.29 C ATOM 144 CG LEU A 824 38.175 24.302 26.206 1.00 11.09 C ATOM 145 CD1 LEU A 824 38.651 22.854 26.126 1.00 15.29 C ATOM 146 CD2 LEU A 824 38.948 25.169 25.213 1.00 13.18 C ATOM 147 H LEU A 824 36.288 25.356 28.327 1.00 0.00 H ATOM 148 N ILE A 825 33.635 25.343 26.460 1.00 12.15 N ATOM 149 CA ILE A 825 32.236 25.451 26.051 1.00 13.92 C ATOM 150 C ILE A 825 31.889 26.920 25.828 1.00 14.77 C ATOM 151 O ILE A 825 31.316 27.281 24.797 1.00 15.30 O ATOM 152 CB ILE A 825 31.290 24.830 27.098 1.00 14.91 C ATOM 153 CG1 ILE A 825 31.468 23.305 27.148 1.00 17.62 C ATOM 154 CG2 ILE A 825 29.831 25.210 26.825 1.00 17.84 C ATOM 155 CD1 ILE A 825 30.707 22.618 28.291 1.00 17.64 C ATOM 156 H ILE A 825 33.873 24.911 27.375 1.00 0.00 H ATOM 157 N ASP A 826 32.263 27.773 26.782 1.00 13.50 N ATOM 158 CA ASP A 826 31.919 29.188 26.684 1.00 14.78 C ATOM 159 C ASP A 826 32.551 29.806 25.445 1.00 15.52 C ATOM 160 O ASP A 826 31.902 30.532 24.698 1.00 16.25 O ATOM 161 CB ASP A 826 32.378 29.960 27.924 1.00 16.59 C ATOM 162 CG ASP A 826 31.679 29.516 29.200 1.00 24.19 C ATOM 163 OD1 ASP A 826 30.621 28.859 29.122 1.00 24.98 O ATOM 164 OD2 ASP A 826 32.203 29.832 30.294 1.00 24.65 O ATOM 165 H ASP A 826 32.803 27.428 27.601 1.00 0.00 H ATOM 166 N SER A 827 33.830 29.524 25.224 1.00 13.76 N ATOM 167 CA SER A 827 34.538 30.146 24.111 1.00 11.19 C ATOM 168 C SER A 827 34.047 29.644 22.754 1.00 18.41 C ATOM 169 O SER A 827 33.916 30.430 21.809 1.00 12.76 O ATOM 170 CB SER A 827 36.046 29.912 24.244 1.00 12.37 C ATOM 171 OG SER A 827 36.389 28.550 24.042 1.00 14.24 O ATOM 172 HG SER A 827 36.110 28.272 23.134 1.00 0.00 H ATOM 173 H SER A 827 34.329 28.857 25.847 1.00 0.00 H ATOM 174 N THR A 828 33.761 28.349 22.655 1.00 12.68 N ATOM 175 CA THR A 828 33.411 27.778 21.356 1.00 12.86 C ATOM 176 C THR A 828 31.989 28.123 20.960 1.00 15.79 C ATOM 177 O THR A 828 31.599 27.884 19.814 1.00 16.58 O ATOM 178 CB THR A 828 33.601 26.244 21.303 1.00 12.97 C ATOM 179 OG1 THR A 828 32.801 25.604 22.313 1.00 14.83 O ATOM 180 CG2 THR A 828 35.081 25.873 21.471 1.00 16.06 C ATOM 181 HG1 THR A 828 33.074 25.932 23.206 1.00 0.00 H ATOM 182 H THR A 828 33.786 27.744 23.500 1.00 0.00 H ATOM 183 N ARG A 829 31.222 28.705 21.876 1.00 13.87 N ATOM 184 CA ARG A 829 29.867 29.142 21.555 1.00 17.06 C ATOM 185 C ARG A 829 29.796 30.607 21.119 1.00 15.51 C ATOM 186 O ARG A 829 28.738 31.072 20.701 1.00 18.36 O ATOM 187 CB ARG A 829 28.942 28.884 22.741 1.00 21.62 C ATOM 188 CG ARG A 829 28.688 27.406 22.917 1.00 29.80 C ATOM 189 CD ARG A 829 27.675 27.100 23.987 1.00 38.45 C ATOM 190 NE ARG A 829 27.181 25.740 23.812 1.00 45.75 N ATOM 191 CZ ARG A 829 26.396 25.109 24.676 1.00 52.81 C ATOM 192 NH1 ARG A 829 26.001 23.871 24.420 1.00 55.35 N ATOM 193 NH2 ARG A 829 26.009 25.714 25.791 1.00 60.08 N ATOM 194 HE ARG A 829 27.463 25.229 22.951 1.00 0.00 H ATOM 195 HH12 ARG A 829 25.386 23.372 25.094 1.00 0.00 H ATOM 196 HH11 ARG A 829 26.306 23.398 23.545 1.00 0.00 H ATOM 197 HH22 ARG A 829 25.394 25.216 26.466 1.00 0.00 H ATOM 198 HH21 ARG A 829 26.321 26.686 25.990 1.00 0.00 H ATOM 199 H ARG A 829 31.593 28.851 22.836 1.00 0.00 H ATOM 200 N GLU A 830 30.911 31.329 21.213 1.00 17.47 N ATOM 201 CA GLU A 830 30.958 32.707 20.727 1.00 12.52 C ATOM 202 C GLU A 830 30.839 32.695 19.210 1.00 12.78 C ATOM 203 O GLU A 830 31.356 31.788 18.566 1.00 11.38 O ATOM 204 CB GLU A 830 32.252 33.399 21.157 1.00 18.45 C ATOM 205 CG GLU A 830 32.369 33.630 22.658 1.00 13.89 C ATOM 206 CD GLU A 830 31.406 34.689 23.164 1.00 31.97 C ATOM 207 OE1 GLU A 830 31.074 35.617 22.394 1.00 34.25 O ATOM 208 OE2 GLU A 830 30.980 34.594 24.334 1.00 63.94 O ATOM 209 H GLU A 830 31.761 30.906 21.638 1.00 0.00 H ATOM 210 N PRO A 831 30.160 33.700 18.633 1.00 12.32 N ATOM 211 CA PRO A 831 29.880 33.684 17.188 1.00 12.90 C ATOM 212 C PRO A 831 31.098 33.446 16.295 1.00 11.86 C ATOM 213 O PRO A 831 30.987 32.722 15.302 1.00 11.72 O ATOM 214 CB PRO A 831 29.283 35.072 16.937 1.00 14.16 C ATOM 215 CG PRO A 831 28.611 35.406 18.232 1.00 16.25 C ATOM 216 CD PRO A 831 29.510 34.838 19.310 1.00 14.55 C ATOM 217 N ASN A 832 32.252 34.012 16.632 1.00 11.70 N ATOM 218 CA ASN A 832 33.402 33.864 15.744 1.00 12.11 C ATOM 219 C ASN A 832 34.232 32.613 15.998 1.00 11.98 C ATOM 220 O ASN A 832 35.290 32.431 15.388 1.00 13.16 O ATOM 221 CB ASN A 832 34.277 35.114 15.826 1.00 12.72 C ATOM 222 CG ASN A 832 33.582 36.318 15.245 1.00 16.19 C ATOM 223 OD1 ASN A 832 32.639 36.172 14.467 1.00 16.20 O ATOM 224 ND2 ASN A 832 34.026 37.511 15.620 1.00 22.02 N ATOM 225 HD22 ASN A 832 34.826 37.584 16.280 1.00 0.00 H ATOM 226 HD21 ASN A 832 33.574 38.373 15.254 1.00 0.00 H ATOM 227 H ASN A 832 32.335 34.553 17.516 1.00 0.00 H ATOM 228 N SER A 833 33.754 31.732 16.873 1.00 11.24 N ATOM 229 CA SER A 833 34.488 30.500 17.131 1.00 10.54 C ATOM 230 C SER A 833 34.629 29.621 15.897 1.00 11.00 C ATOM 231 O SER A 833 33.635 29.322 15.221 1.00 11.78 O ATOM 232 CB SER A 833 33.805 29.687 18.222 1.00 11.90 C ATOM 233 OG SER A 833 34.504 28.458 18.398 1.00 11.20 O ATOM 234 HG SER A 833 35.440 28.647 18.660 1.00 0.00 H ATOM 235 H SER A 833 32.861 31.922 17.370 1.00 0.00 H ATOM 236 N SER A 834 35.853 29.175 15.636 1.00 10.53 N ATOM 237 CA SER A 834 36.112 28.223 14.556 1.00 11.51 C ATOM 238 C SER A 834 35.974 26.769 14.988 1.00 12.00 C ATOM 239 O SER A 834 36.221 25.862 14.188 1.00 13.79 O ATOM 240 CB SER A 834 37.517 28.438 13.990 1.00 14.04 C ATOM 241 OG SER A 834 37.607 29.699 13.353 1.00 17.57 O ATOM 242 HG SER A 834 36.951 29.741 12.612 1.00 0.00 H ATOM 243 H SER A 834 36.648 29.512 16.215 1.00 0.00 H ATOM 244 N ALA A 835 35.620 26.556 16.253 1.00 10.81 N ATOM 245 CA ALA A 835 35.513 25.224 16.835 1.00 11.06 C ATOM 246 C ALA A 835 34.123 24.999 17.432 1.00 11.88 C ATOM 247 O ALA A 835 33.531 25.911 18.018 1.00 12.56 O ATOM 248 CB ALA A 835 36.574 25.029 17.914 1.00 12.68 C ATOM 249 H ALA A 835 35.410 27.378 16.854 1.00 0.00 H ATOM 250 N GLN A 836 33.628 23.779 17.280 1.00 11.35 N ATOM 251 CA GLN A 836 32.399 23.341 17.937 1.00 11.57 C ATOM 252 C GLN A 836 32.714 22.091 18.735 1.00 12.88 C ATOM 253 O GLN A 836 33.403 21.198 18.239 1.00 12.46 O ATOM 254 CB GLN A 836 31.286 23.061 16.924 1.00 12.62 C ATOM 255 CG GLN A 836 31.653 22.041 15.849 1.00 12.80 C ATOM 256 CD GLN A 836 30.457 21.668 15.006 1.00 14.37 C ATOM 257 OE1 GLN A 836 29.444 21.182 15.521 1.00 15.50 O ATOM 258 NE2 GLN A 836 30.548 21.912 13.702 1.00 15.25 N ATOM 259 HE22 GLN A 836 31.419 22.322 13.309 1.00 0.00 H ATOM 260 HE21 GLN A 836 29.748 21.693 13.075 1.00 0.00 H ATOM 261 H GLN A 836 34.135 23.107 16.669 1.00 0.00 H ATOM 262 N ILE A 837 32.204 22.009 19.966 1.00 12.11 N ATOM 263 CA ILE A 837 32.399 20.800 20.758 1.00 12.24 C ATOM 264 C ILE A 837 31.234 19.859 20.519 1.00 14.60 C ATOM 265 O ILE A 837 30.089 20.190 20.814 1.00 15.94 O ATOM 266 CB ILE A 837 32.519 21.109 22.254 1.00 12.12 C ATOM 267 CG1 ILE A 837 33.717 22.016 22.522 1.00 13.13 C ATOM 268 CG2 ILE A 837 32.639 19.807 23.042 1.00 14.97 C ATOM 269 CD1 ILE A 837 33.724 22.596 23.920 1.00 15.18 C ATOM 270 H ILE A 837 31.667 22.808 20.360 1.00 0.00 H ATOM 271 N ASP A 838 31.540 18.688 19.967 1.00 13.25 N ATOM 272 CA ASP A 838 30.517 17.737 19.564 1.00 13.28 C ATOM 273 C ASP A 838 30.387 16.521 20.467 1.00 14.46 C ATOM 274 O ASP A 838 29.391 15.815 20.399 1.00 17.14 O ATOM 275 CB ASP A 838 30.791 17.292 18.132 1.00 15.23 C ATOM 276 CG ASP A 838 30.713 18.449 17.171 1.00 17.29 C ATOM 277 OD1 ASP A 838 29.669 19.135 17.186 1.00 16.86 O ATOM 278 OD2 ASP A 838 31.699 18.717 16.453 1.00 15.90 O ATOM 279 H ASP A 838 32.541 18.446 19.819 1.00 0.00 H ATOM 280 N ILE A 839 31.384 16.285 21.308 1.00 14.34 N ATOM 281 CA ILE A 839 31.337 15.144 22.219 1.00 15.97 C ATOM 282 C ILE A 839 32.290 15.399 23.381 1.00 16.30 C ATOM 283 O ILE A 839 33.360 15.987 23.214 1.00 14.25 O ATOM 284 CB ILE A 839 31.685 13.807 21.492 1.00 17.14 C ATOM 285 CG1 ILE A 839 31.492 12.592 22.405 1.00 20.38 C ATOM 286 CG2 ILE A 839 33.104 13.827 20.940 1.00 17.33 C ATOM 287 CD1 ILE A 839 30.058 12.330 22.778 1.00 22.10 C ATOM 288 H ILE A 839 32.208 16.919 21.319 1.00 0.00 H ATOM 289 N VAL A 840 31.866 14.982 24.571 1.00 15.18 N ATOM 290 CA VAL A 840 32.701 15.001 25.757 1.00 16.37 C ATOM 291 C VAL A 840 32.853 13.561 26.226 1.00 14.95 C ATOM 292 O VAL A 840 31.870 12.841 26.381 1.00 17.15 O ATOM 293 CB VAL A 840 32.100 15.884 26.867 1.00 15.29 C ATOM 294 CG1 VAL A 840 32.833 15.676 28.199 1.00 18.12 C ATOM 295 CG2 VAL A 840 32.154 17.347 26.447 1.00 16.97 C ATOM 296 H VAL A 840 30.892 14.626 24.655 1.00 0.00 H ATOM 297 N ILE A 841 34.098 13.144 26.417 1.00 15.67 N ATOM 298 CA ILE A 841 34.407 11.784 26.838 1.00 17.04 C ATOM 299 C ILE A 841 35.113 11.824 28.174 1.00 17.71 C ATOM 300 O ILE A 841 36.116 12.525 28.318 1.00 17.36 O ATOM 301 CB ILE A 841 35.301 11.058 25.809 1.00 17.06 C ATOM 302 CG1 ILE A 841 34.603 10.996 24.449 1.00 19.77 C ATOM 303 CG2 ILE A 841 35.666 9.667 26.295 1.00 19.00 C ATOM 304 CD1 ILE A 841 35.456 10.396 23.342 1.00 19.72 C ATOM 305 H ILE A 841 34.880 13.811 26.261 1.00 0.00 H ATOM 306 N SER A 842 34.582 11.092 29.149 1.00 18.14 N ATOM 307 CA SER A 842 35.252 10.932 30.431 1.00 19.28 C ATOM 308 C SER A 842 35.681 9.491 30.595 1.00 19.57 C ATOM 309 O SER A 842 34.963 8.580 30.179 1.00 21.43 O ATOM 310 CB SER A 842 34.334 11.341 31.586 1.00 20.66 C ATOM 311 OG SER A 842 34.987 11.168 32.831 1.00 22.45 O ATOM 312 HG SER A 842 34.377 11.438 33.563 1.00 0.00 H ATOM 313 H SER A 842 33.667 10.623 28.992 1.00 0.00 H ATOM 314 N ASN A 843 36.837 9.264 31.207 1.00 20.50 N ATOM 315 CA ASN A 843 37.213 7.903 31.576 1.00 22.70 C ATOM 316 C ASN A 843 36.712 7.526 32.968 1.00 24.43 C ATOM 317 O ASN A 843 36.961 6.423 33.446 1.00 26.18 O ATOM 318 CB ASN A 843 38.731 7.704 31.512 1.00 26.01 C ATOM 319 CG ASN A 843 39.478 8.556 32.525 1.00 24.41 C ATOM 320 OD1 ASN A 843 39.312 9.776 32.557 1.00 24.53 O ATOM 321 ND2 ASN A 843 40.311 7.923 33.339 1.00 26.27 N ATOM 322 HD22 ASN A 843 40.417 6.891 33.274 1.00 0.00 H ATOM 323 HD21 ASN A 843 40.858 8.459 34.043 1.00 0.00 H ATOM 324 H ASN A 843 37.475 10.056 31.424 1.00 0.00 H ATOM 325 N LYS A 844 36.013 8.454 33.614 1.00 23.95 N ATOM 326 CA LYS A 844 35.490 8.227 34.955 1.00 26.20 C ATOM 327 C LYS A 844 34.019 8.616 35.036 1.00 24.12 C ATOM 328 O LYS A 844 33.617 9.685 34.572 1.00 25.78 O ATOM 329 CB LYS A 844 36.302 9.007 35.994 1.00 28.89 C ATOM 330 CG LYS A 844 37.721 8.490 36.201 1.00 36.50 C ATOM 331 CD LYS A 844 38.409 9.203 37.357 1.00 55.16 C ATOM 332 CE LYS A 844 39.756 8.571 37.679 1.00 77.78 C ATOM 333 NZ LYS A 844 40.413 9.213 38.856 1.00 50.58 N ATOM 334 HZ1 LYS A 844 40.568 10.222 38.657 1.00 0.00 H ATOM 335 HZ2 LYS A 844 39.801 9.113 39.691 1.00 0.00 H ATOM 336 HZ3 LYS A 844 41.326 8.750 39.037 1.00 0.00 H ATOM 337 H LYS A 844 35.834 9.367 33.149 1.00 0.00 H ATOM 338 N ALA A 845 33.217 7.735 35.630 1.00 28.92 N ATOM 339 CA ALA A 845 31.798 7.995 35.789 1.00 27.07 C ATOM 340 C ALA A 845 31.562 9.025 36.888 1.00 26.90 C ATOM 341 O ALA A 845 32.385 9.181 37.797 1.00 32.05 O ATOM 342 CB ALA A 845 31.052 6.700 36.108 1.00 31.78 C ATOM 343 H ALA A 845 33.615 6.843 35.987 1.00 0.00 H ATOM 344 N ALA A 846 30.445 9.737 36.777 1.00 31.16 N ATOM 345 CA ALA A 846 29.944 10.588 37.852 1.00 32.41 C ATOM 346 C ALA A 846 30.898 11.698 38.265 1.00 37.56 C ATOM 347 O ALA A 846 30.985 12.029 39.448 1.00 35.64 O ATOM 348 CB ALA A 846 29.596 9.739 39.069 1.00 36.30 C ATOM 349 H ALA A 846 29.906 9.686 35.889 1.00 0.00 H ATOM 350 N VAL A 847 31.619 12.268 37.306 1.00 32.03 N ATOM 351 CA VAL A 847 32.430 13.437 37.606 1.00 30.45 C ATOM 352 C VAL A 847 31.676 14.694 37.191 1.00 26.26 C ATOM 353 O VAL A 847 30.798 14.642 36.332 1.00 25.63 O ATOM 354 CB VAL A 847 33.806 13.377 36.916 1.00 28.86 C ATOM 355 CG1 VAL A 847 34.590 12.178 37.433 1.00 30.37 C ATOM 356 CG2 VAL A 847 33.656 13.327 35.400 1.00 26.01 C ATOM 357 H VAL A 847 31.603 11.879 36.342 1.00 0.00 H ATOM 358 N ALA A 848 32.017 15.820 37.810 1.00 25.15 N ATOM 359 CA ALA A 848 31.274 17.060 37.603 1.00 27.04 C ATOM 360 C ALA A 848 31.342 17.560 36.162 1.00 28.40 C ATOM 361 O ALA A 848 30.425 18.230 35.696 1.00 24.12 O ATOM 362 CB ALA A 848 31.770 18.135 38.558 1.00 25.87 C ATOM 363 H ALA A 848 32.832 15.818 38.457 1.00 0.00 H ATOM 364 N GLY A 849 32.423 17.247 35.452 1.00 21.03 N ATOM 365 CA GLY A 849 32.540 17.653 34.063 1.00 19.97 C ATOM 366 C GLY A 849 31.429 17.111 33.176 1.00 22.20 C ATOM 367 O GLY A 849 31.025 17.763 32.213 1.00 21.87 O ATOM 368 H GLY A 849 33.192 16.706 35.897 1.00 0.00 H ATOM 369 N LEU A 850 30.938 15.914 33.492 1.00 21.75 N ATOM 370 CA LEU A 850 29.838 15.325 32.739 1.00 22.67 C ATOM 371 C LEU A 850 28.561 16.134 32.935 1.00 26.89 C ATOM 372 O LEU A 850 27.807 16.343 31.991 1.00 25.56 O ATOM 373 CB LEU A 850 29.618 13.872 33.153 1.00 23.75 C ATOM 374 CG LEU A 850 30.722 12.882 32.776 1.00 26.02 C ATOM 375 CD1 LEU A 850 30.499 11.551 33.474 1.00 27.23 C ATOM 376 CD2 LEU A 850 30.787 12.692 31.269 1.00 25.42 C ATOM 377 H LEU A 850 31.347 15.390 34.291 1.00 0.00 H ATOM 378 N ASP A 851 28.335 16.599 34.159 1.00 25.19 N ATOM 379 CA ASP A 851 27.192 17.459 34.453 1.00 28.84 C ATOM 380 C ASP A 851 27.275 18.758 33.651 1.00 28.75 C ATOM 381 O ASP A 851 26.280 19.236 33.115 1.00 27.23 O ATOM 382 CB ASP A 851 27.116 17.775 35.947 1.00 31.33 C ATOM 383 CG ASP A 851 26.997 16.531 36.803 1.00 49.63 C ATOM 384 OD1 ASP A 851 26.460 15.518 36.308 1.00 41.99 O ATOM 385 OD2 ASP A 851 27.441 16.567 37.972 1.00 52.86 O ATOM 386 H ASP A 851 28.988 16.344 34.927 1.00 0.00 H ATOM 387 N LYS A 852 28.470 19.329 33.565 1.00 22.56 N ATOM 388 CA LYS A 852 28.637 20.572 32.838 1.00 21.44 C ATOM 389 C LYS A 852 28.328 20.379 31.352 1.00 23.23 C ATOM 390 O LYS A 852 27.703 21.234 30.725 1.00 25.51 O ATOM 391 CB LYS A 852 30.060 21.111 33.028 1.00 20.73 C ATOM 392 CG LYS A 852 30.373 21.549 34.443 1.00 22.27 C ATOM 393 CD LYS A 852 31.826 22.015 34.553 1.00 24.99 C ATOM 394 CE LYS A 852 32.153 22.540 35.937 1.00 28.93 C ATOM 395 NZ LYS A 852 32.017 21.505 36.997 1.00 28.81 N ATOM 396 HZ1 LYS A 852 31.038 21.155 37.014 1.00 0.00 H ATOM 397 HZ2 LYS A 852 32.665 20.717 36.796 1.00 0.00 H ATOM 398 HZ3 LYS A 852 32.253 21.922 37.920 1.00 0.00 H ATOM 399 H LYS A 852 29.291 18.882 34.022 1.00 0.00 H ATOM 400 N ALA A 853 28.776 19.262 30.788 1.00 20.44 N ATOM 401 CA ALA A 853 28.485 18.953 29.393 1.00 21.92 C ATOM 402 C ALA A 853 26.986 18.767 29.157 1.00 24.31 C ATOM 403 O ALA A 853 26.434 19.304 28.194 1.00 24.97 O ATOM 404 CB ALA A 853 29.239 17.715 28.959 1.00 21.74 C ATOM 405 H ALA A 853 29.344 18.597 31.351 1.00 0.00 H ATOM 406 N GLU A 854 26.336 18.011 30.038 1.00 23.71 N ATOM 407 CA GLU A 854 24.904 17.753 29.913 1.00 25.71 C ATOM 408 C GLU A 854 24.118 19.052 29.997 1.00 36.30 C ATOM 409 O GLU A 854 23.192 19.272 29.222 1.00 32.72 O ATOM 410 CB GLU A 854 24.436 16.771 30.986 1.00 29.17 C ATOM 411 CG GLU A 854 24.982 15.362 30.798 1.00 66.14 C ATOM 412 CD GLU A 854 24.684 14.456 31.976 1.00 92.54 C ATOM 413 OE1 GLU A 854 25.249 13.342 32.028 1.00 66.44 O ATOM 414 OE2 GLU A 854 23.886 14.855 32.850 1.00 79.43 O ATOM 415 H GLU A 854 26.860 17.594 30.834 1.00 0.00 H ATOM 416 N ARG A 855 24.507 19.923 30.923 1.00 29.58 N ATOM 417 CA ARG A 855 23.818 21.200 31.093 1.00 32.05 C ATOM 418 C ARG A 855 23.946 22.054 29.831 1.00 30.12 C ATOM 419 O ARG A 855 23.057 22.843 29.510 1.00 35.62 O ATOM 420 CB ARG A 855 24.368 21.954 32.308 1.00 38.31 C ATOM 421 CG ARG A 855 23.684 23.285 32.572 1.00 47.39 C ATOM 422 CD ARG A 855 24.215 23.961 33.825 1.00 63.21 C ATOM 423 NE ARG A 855 23.541 25.233 34.074 1.00 91.58 N ATOM 424 CZ ARG A 855 23.677 25.950 35.185 1.00 99.62 C ATOM 425 NH1 ARG A 855 24.466 25.523 36.162 1.00 95.95 N ATOM 426 NH2 ARG A 855 23.023 27.097 35.320 1.00 73.94 N ATOM 427 HE ARG A 855 22.913 25.602 33.332 1.00 0.00 H ATOM 428 HH12 ARG A 855 24.570 26.086 37.030 1.00 0.00 H ATOM 429 HH11 ARG A 855 24.980 24.625 36.060 1.00 0.00 H ATOM 430 HH22 ARG A 855 23.130 27.657 36.190 1.00 0.00 H ATOM 431 HH21 ARG A 855 22.404 27.435 34.556 1.00 0.00 H ATOM 432 H ARG A 855 25.315 19.692 31.536 1.00 0.00 H ATOM 433 N ALA A 856 25.055 21.885 29.117 1.00 27.99 N ATOM 434 CA ALA A 856 25.302 22.629 27.888 1.00 26.04 C ATOM 435 C ALA A 856 24.700 21.941 26.663 1.00 27.42 C ATOM 436 O ALA A 856 24.803 22.452 25.550 1.00 32.52 O ATOM 437 CB ALA A 856 26.803 22.835 27.689 1.00 26.47 C ATOM 438 H ALA A 856 25.767 21.202 29.445 1.00 0.00 H ATOM 439 N GLY A 857 24.085 20.780 26.864 1.00 28.92 N ATOM 440 CA GLY A 857 23.445 20.070 25.769 1.00 28.94 C ATOM 441 C GLY A 857 24.413 19.360 24.841 1.00 28.31 C ATOM 442 O GLY A 857 24.101 19.104 23.679 1.00 32.72 O ATOM 443 H GLY A 857 24.061 20.373 27.821 1.00 0.00 H ATOM 444 N ILE A 858 25.593 19.040 25.357 1.00 22.54 N ATOM 445 CA ILE A 858 26.615 18.328 24.591 1.00 21.49 C ATOM 446 C ILE A 858 26.596 16.848 24.967 1.00 21.25 C ATOM 447 O ILE A 858 26.596 16.517 26.149 1.00 23.73 O ATOM 448 CB ILE A 858 28.022 18.916 24.854 1.00 18.74 C ATOM 449 CG1 ILE A 858 28.062 20.407 24.484 1.00 20.06 C ATOM 450 CG2 ILE A 858 29.097 18.135 24.090 1.00 22.39 C ATOM 451 CD1 ILE A 858 29.318 21.134 24.944 1.00 20.69 C ATOM 452 H ILE A 858 25.798 19.305 26.341 1.00 0.00 H ATOM 453 N PRO A 859 26.565 15.951 23.966 1.00 21.49 N ATOM 454 CA PRO A 859 26.601 14.505 24.227 1.00 25.06 C ATOM 455 C PRO A 859 27.823 14.088 25.044 1.00 19.91 C ATOM 456 O PRO A 859 28.895 14.682 24.908 1.00 20.03 O ATOM 457 CB PRO A 859 26.667 13.894 22.823 1.00 27.20 C ATOM 458 CG PRO A 859 26.069 14.922 21.934 1.00 32.57 C ATOM 459 CD PRO A 859 26.439 16.246 22.527 1.00 21.69 C ATOM 460 N THR A 860 27.657 13.066 25.876 1.00 21.57 N ATOM 461 CA THR A 860 28.760 12.536 26.667 1.00 20.56 C ATOM 462 C THR A 860 28.880 11.022 26.512 1.00 21.45 C ATOM 463 O THR A 860 27.891 10.326 26.261 1.00 25.29 O ATOM 464 CB THR A 860 28.592 12.831 28.173 1.00 21.37 C ATOM 465 OG1 THR A 860 27.373 12.236 28.635 1.00 26.67 O ATOM 466 CG2 THR A 860 28.547 14.312 28.449 1.00 21.70 C ATOM 467 HG1 THR A 860 27.409 11.257 28.489 1.00 0.00 H ATOM 468 H THR A 860 26.716 12.633 25.965 1.00 0.00 H ATOM 469 N ARG A 861 30.098 10.511 26.672 1.00 21.04 N ATOM 470 CA ARG A 861 30.329 9.068 26.732 1.00 22.70 C ATOM 471 C ARG A 861 31.371 8.749 27.801 1.00 26.41 C ATOM 472 O ARG A 861 32.434 9.369 27.838 1.00 26.22 O ATOM 473 CB ARG A 861 30.791 8.522 25.375 1.00 25.01 C ATOM 474 CG ARG A 861 29.819 8.723 24.212 1.00 23.31 C ATOM 475 CD ARG A 861 28.556 7.879 24.346 1.00 28.38 C ATOM 476 NE ARG A 861 27.697 8.002 23.168 1.00 24.92 N ATOM 477 CZ ARG A 861 26.757 8.931 23.018 1.00 31.18 C ATOM 478 NH1 ARG A 861 26.026 8.968 21.911 1.00 34.59 N ATOM 479 NH2 ARG A 861 26.543 9.825 23.974 1.00 24.75 N ATOM 480 HE ARG A 861 27.830 7.317 22.397 1.00 0.00 H ATOM 481 HH12 ARG A 861 25.292 9.696 21.797 1.00 0.00 H ATOM 482 HH11 ARG A 861 26.187 8.269 21.158 1.00 0.00 H ATOM 483 HH22 ARG A 861 25.807 10.550 23.853 1.00 0.00 H ATOM 484 HH21 ARG A 861 27.111 9.801 24.845 1.00 0.00 H ATOM 485 H ARG A 861 30.909 11.156 26.757 1.00 0.00 H ATOM 486 N VAL A 862 31.064 7.790 28.671 1.00 23.92 N ATOM 487 CA VAL A 862 32.016 7.337 29.671 1.00 24.99 C ATOM 488 C VAL A 862 32.703 6.077 29.156 1.00 24.96 C ATOM 489 O VAL A 862 32.054 5.065 28.889 1.00 27.51 O ATOM 490 CB VAL A 862 31.352 7.050 31.030 1.00 26.57 C ATOM 491 CG1 VAL A 862 32.357 6.420 31.989 1.00 28.45 C ATOM 492 CG2 VAL A 862 30.770 8.326 31.618 1.00 27.10 C ATOM 493 H VAL A 862 30.120 7.354 28.634 1.00 0.00 H ATOM 494 N ILE A 863 34.019 6.160 28.997 1.00 24.09 N ATOM 495 CA ILE A 863 34.828 5.016 28.605 1.00 24.65 C ATOM 496 C ILE A 863 35.778 4.685 29.750 1.00 25.53 C ATOM 497 O ILE A 863 36.816 5.327 29.912 1.00 24.81 O ATOM 498 CB ILE A 863 35.614 5.296 27.306 1.00 26.11 C ATOM 499 CG1 ILE A 863 34.654 5.741 26.198 1.00 23.76 C ATOM 500 CG2 ILE A 863 36.400 4.057 26.878 1.00 24.78 C ATOM 501 CD1 ILE A 863 35.336 6.111 24.891 1.00 27.51 C ATOM 502 H ILE A 863 34.487 7.074 29.158 1.00 0.00 H ATOM 503 N ASN A 864 35.401 3.699 30.557 1.00 27.44 N ATOM 504 CA ASN A 864 36.147 3.321 31.756 1.00 28.84 C ATOM 505 C ASN A 864 37.419 2.540 31.438 1.00 32.43 C ATOM 506 O ASN A 864 37.349 1.389 31.017 1.00 31.25 O ATOM 507 CB ASN A 864 35.245 2.490 32.676 1.00 31.29 C ATOM 508 CG ASN A 864 35.867 2.228 34.039 1.00 33.33 C ATOM 509 OD1 ASN A 864 37.027 2.555 34.287 1.00 35.41 O ATOM 510 ND2 ASN A 864 35.091 1.620 34.929 1.00 38.81 N ATOM 511 HD22 ASN A 864 34.116 1.361 34.678 1.00 0.00 H ATOM 512 HD21 ASN A 864 35.459 1.403 35.877 1.00 0.00 H ATOM 513 H ASN A 864 34.535 3.172 30.325 1.00 0.00 H ATOM 514 N HIS A 865 38.578 3.154 31.667 1.00 28.46 N ATOM 515 CA HIS A 865 39.852 2.526 31.320 1.00 28.75 C ATOM 516 C HIS A 865 40.080 1.215 32.067 1.00 32.80 C ATOM 517 O HIS A 865 40.823 0.352 31.599 1.00 31.52 O ATOM 518 CB HIS A 865 41.018 3.482 31.594 1.00 28.32 C ATOM 519 CG HIS A 865 41.184 3.834 33.039 1.00 29.79 C ATOM 520 ND1 HIS A 865 40.528 4.893 33.626 1.00 29.58 N ATOM 521 CD2 HIS A 865 41.927 3.263 34.018 1.00 31.83 C ATOM 522 CE1 HIS A 865 40.861 4.964 34.901 1.00 31.53 C ATOM 523 NE2 HIS A 865 41.706 3.983 35.166 1.00 34.89 N ATOM 524 H HIS A 865 38.577 4.099 32.101 1.00 0.00 H ATOM 525 N LYS A 866 39.435 1.068 33.222 1.00 32.58 N ATOM 526 CA LYS A 866 39.617 -0.110 34.066 1.00 38.76 C ATOM 527 C LYS A 866 39.042 -1.374 33.434 1.00 36.08 C ATOM 528 O LYS A 866 39.356 -2.486 33.857 1.00 40.24 O ATOM 529 CB LYS A 866 38.972 0.115 35.434 1.00 38.04 C ATOM 530 CG LYS A 866 39.573 1.260 36.231 1.00 42.06 C ATOM 531 CD LYS A 866 38.851 1.436 37.559 1.00 50.44 C ATOM 532 CE LYS A 866 39.438 2.588 38.360 1.00 66.67 C ATOM 533 NZ LYS A 866 38.684 2.837 39.621 1.00 69.83 N ATOM 534 HZ1 LYS A 866 37.697 3.071 39.393 1.00 0.00 H ATOM 535 HZ2 LYS A 866 38.711 1.983 40.214 1.00 0.00 H ATOM 536 HZ3 LYS A 866 39.120 3.630 40.133 1.00 0.00 H ATOM 537 H LYS A 866 38.781 1.815 33.533 1.00 0.00 H ATOM 538 N LEU A 867 38.192 -1.202 32.428 1.00 34.80 N ATOM 539 CA LEU A 867 37.507 -2.331 31.810 1.00 36.76 C ATOM 540 C LEU A 867 38.303 -2.907 30.645 1.00 37.96 C ATOM 541 O LEU A 867 37.889 -3.885 30.026 1.00 46.62 O ATOM 542 CB LEU A 867 36.117 -1.906 31.335 1.00 35.64 C ATOM 543 CG LEU A 867 35.209 -1.309 32.412 1.00 47.25 C ATOM 544 CD1 LEU A 867 33.897 -0.828 31.814 1.00 45.28 C ATOM 545 CD2 LEU A 867 34.958 -2.323 33.517 1.00 48.87 C ATOM 546 H LEU A 867 38.011 -0.241 32.073 1.00 0.00 H ATOM 547 N TYR A 868 39.449 -2.301 30.354 1.00 34.89 N ATOM 548 CA TYR A 868 40.245 -2.687 29.192 1.00 33.64 C ATOM 549 C TYR A 868 41.548 -3.351 29.618 1.00 40.70 C ATOM 550 O TYR A 868 42.093 -3.043 30.676 1.00 38.78 O ATOM 551 CB TYR A 868 40.503 -1.460 28.302 1.00 31.28 C ATOM 552 CG TYR A 868 39.216 -0.936 27.706 1.00 30.37 C ATOM 553 CD1 TYR A 868 38.435 -0.004 28.382 1.00 29.66 C ATOM 554 CD2 TYR A 868 38.753 -1.415 26.491 1.00 32.64 C ATOM 555 CE1 TYR A 868 37.242 0.454 27.845 1.00 29.13 C ATOM 556 CE2 TYR A 868 37.567 -0.963 25.948 1.00 30.26 C ATOM 557 CZ TYR A 868 36.813 -0.038 26.628 1.00 29.31 C ATOM 558 OH TYR A 868 35.628 0.392 26.078 1.00 30.79 O ATOM 559 HH TYR A 868 35.022 -0.381 25.956 1.00 0.00 H ATOM 560 H TYR A 868 39.787 -1.533 30.969 1.00 0.00 H ATOM 561 N LYS A 869 42.031 -4.276 28.795 1.00 40.34 N ATOM 562 CA LYS A 869 43.197 -5.083 29.140 1.00 41.41 C ATOM 563 C LYS A 869 44.484 -4.266 29.153 1.00 40.82 C ATOM 564 O LYS A 869 45.404 -4.552 29.914 1.00 42.22 O ATOM 565 CB LYS A 869 43.328 -6.252 28.173 1.00 46.00 C ATOM 566 H LYS A 869 41.564 -4.429 27.878 1.00 0.00 H ATOM 567 N ASN A 870 44.544 -3.250 28.303 1.00 34.58 N ATOM 568 CA ASN A 870 45.732 -2.417 28.192 1.00 34.09 C ATOM 569 C ASN A 870 45.373 -1.045 27.625 1.00 31.76 C ATOM 570 O ASN A 870 44.210 -0.790 27.306 1.00 34.06 O ATOM 571 CB ASN A 870 46.786 -3.110 27.321 1.00 35.97 C ATOM 572 CG ASN A 870 46.244 -3.521 25.961 1.00 36.00 C ATOM 573 OD1 ASN A 870 45.559 -2.751 25.297 1.00 33.47 O ATOM 574 ND2 ASN A 870 46.550 -4.740 25.544 1.00 37.48 N ATOM 575 HD22 ASN A 870 47.134 -5.362 26.139 1.00 0.00 H ATOM 576 HD21 ASN A 870 46.206 -5.076 24.622 1.00 0.00 H ATOM 577 H ASN A 870 43.722 -3.043 27.701 1.00 0.00 H ATOM 578 N ARG A 871 46.364 -0.166 27.499 1.00 32.89 N ATOM 579 CA ARG A 871 46.123 1.183 26.996 1.00 29.46 C ATOM 580 C ARG A 871 45.620 1.186 25.559 1.00 27.26 C ATOM 581 O ARG A 871 44.722 1.951 25.212 1.00 26.15 O ATOM 582 CB ARG A 871 47.392 2.038 27.083 1.00 39.43 C ATOM 583 CG ARG A 871 47.797 2.406 28.490 1.00 48.42 C ATOM 584 CD ARG A 871 48.919 3.435 28.509 1.00 30.38 C ATOM 585 NE ARG A 871 49.504 3.509 29.840 1.00 36.53 N ATOM 586 CZ ARG A 871 49.012 4.239 30.834 1.00 52.05 C ATOM 587 NH1 ARG A 871 47.930 4.987 30.645 1.00 30.71 N ATOM 588 NH2 ARG A 871 49.612 4.225 32.016 1.00 50.03 N ATOM 589 HE ARG A 871 50.364 2.954 30.024 1.00 0.00 H ATOM 590 HH12 ARG A 871 47.549 5.557 31.427 1.00 0.00 H ATOM 591 HH11 ARG A 871 47.464 5.002 29.715 1.00 0.00 H ATOM 592 HH22 ARG A 871 49.232 4.794 32.799 1.00 0.00 H ATOM 593 HH21 ARG A 871 50.463 3.645 32.160 1.00 0.00 H ATOM 594 H ARG A 871 47.330 -0.446 27.764 1.00 0.00 H ATOM 595 N VAL A 872 46.204 0.339 24.720 1.00 27.67 N ATOM 596 CA VAL A 872 45.851 0.329 23.303 1.00 27.09 C ATOM 597 C VAL A 872 44.368 0.016 23.093 1.00 27.19 C ATOM 598 O VAL A 872 43.716 0.646 22.266 1.00 25.32 O ATOM 599 CB VAL A 872 46.724 -0.670 22.518 1.00 30.35 C ATOM 600 CG1 VAL A 872 46.100 -1.004 21.177 1.00 40.65 C ATOM 601 CG2 VAL A 872 48.123 -0.097 22.331 1.00 30.27 C ATOM 602 H VAL A 872 46.921 -0.325 25.076 1.00 0.00 H ATOM 603 N GLU A 873 43.821 -0.921 23.860 1.00 27.51 N ATOM 604 CA GLU A 873 42.406 -1.261 23.717 1.00 27.45 C ATOM 605 C GLU A 873 41.504 -0.129 24.204 1.00 25.83 C ATOM 606 O GLU A 873 40.468 0.150 23.601 1.00 25.14 O ATOM 607 CB GLU A 873 42.084 -2.556 24.470 1.00 29.69 C ATOM 608 CG GLU A 873 42.800 -3.772 23.918 1.00 31.72 C ATOM 609 CD GLU A 873 42.448 -4.053 22.469 1.00 72.09 C ATOM 610 OE1 GLU A 873 41.256 -3.943 22.111 1.00 50.42 O ATOM 611 OE2 GLU A 873 43.364 -4.380 21.686 1.00 57.58 O ATOM 612 H GLU A 873 44.403 -1.416 24.566 1.00 0.00 H ATOM 613 N PHE A 874 41.905 0.521 25.292 1.00 25.58 N ATOM 614 CA PHE A 874 41.176 1.666 25.820 1.00 24.43 C ATOM 615 C PHE A 874 41.190 2.803 24.808 1.00 22.59 C ATOM 616 O PHE A 874 40.150 3.382 24.501 1.00 21.78 O ATOM 617 CB PHE A 874 41.795 2.102 27.155 1.00 25.07 C ATOM 618 CG PHE A 874 41.360 3.461 27.639 1.00 24.12 C ATOM 619 CD1 PHE A 874 40.059 3.695 28.052 1.00 25.10 C ATOM 620 CD2 PHE A 874 42.280 4.487 27.735 1.00 23.49 C ATOM 621 CE1 PHE A 874 39.679 4.946 28.530 1.00 24.10 C ATOM 622 CE2 PHE A 874 41.908 5.739 28.203 1.00 23.01 C ATOM 623 CZ PHE A 874 40.606 5.967 28.599 1.00 25.36 C ATOM 624 H PHE A 874 42.766 0.202 25.781 1.00 0.00 H ATOM 625 N ASP A 875 42.373 3.107 24.280 1.00 23.38 N ATOM 626 CA ASP A 875 42.504 4.177 23.290 1.00 21.07 C ATOM 627 C ASP A 875 41.693 3.879 22.027 1.00 21.35 C ATOM 628 O ASP A 875 41.158 4.796 21.399 1.00 19.88 O ATOM 629 CB ASP A 875 43.970 4.398 22.912 1.00 21.54 C ATOM 630 CG ASP A 875 44.795 4.969 24.048 1.00 21.92 C ATOM 631 OD1 ASP A 875 44.243 5.289 25.126 1.00 22.50 O ATOM 632 OD2 ASP A 875 46.015 5.125 23.845 1.00 25.19 O ATOM 633 H ASP A 875 43.217 2.576 24.575 1.00 0.00 H ATOM 634 N SER A 876 41.608 2.603 21.660 1.00 22.02 N ATOM 635 CA SER A 876 40.830 2.188 20.497 1.00 22.35 C ATOM 636 C SER A 876 39.350 2.480 20.708 1.00 23.73 C ATOM 637 O SER A 876 38.649 2.877 19.778 1.00 21.55 O ATOM 638 CB SER A 876 41.043 0.699 20.213 1.00 24.24 C ATOM 639 OG SER A 876 40.300 0.275 19.081 1.00 24.99 O ATOM 640 HG SER A 876 40.588 0.791 18.287 1.00 0.00 H ATOM 641 H SER A 876 42.109 1.882 22.217 1.00 0.00 H ATOM 642 N ALA A 877 38.882 2.293 21.937 1.00 22.12 N ATOM 643 CA ALA A 877 37.494 2.586 22.279 1.00 22.13 C ATOM 644 C ALA A 877 37.228 4.088 22.187 1.00 21.61 C ATOM 645 O ALA A 877 36.175 4.518 21.708 1.00 21.04 O ATOM 646 CB ALA A 877 37.162 2.064 23.675 1.00 23.35 C ATOM 647 H ALA A 877 39.520 1.929 22.673 1.00 0.00 H ATOM 648 N ILE A 878 38.184 4.891 22.640 1.00 19.82 N ATOM 649 CA ILE A 878 38.078 6.338 22.478 1.00 18.73 C ATOM 650 C ILE A 878 38.019 6.683 21.001 1.00 20.32 C ATOM 651 O ILE A 878 37.152 7.444 20.561 1.00 18.51 O ATOM 652 CB ILE A 878 39.260 7.083 23.125 1.00 18.39 C ATOM 653 CG1 ILE A 878 39.260 6.879 24.636 1.00 20.34 C ATOM 654 CG2 ILE A 878 39.179 8.569 22.791 1.00 17.90 C ATOM 655 CD1 ILE A 878 40.457 7.514 25.325 1.00 21.04 C ATOM 656 H ILE A 878 39.016 4.485 23.114 1.00 0.00 H ATOM 657 N ASP A 879 38.940 6.109 20.233 1.00 18.64 N ATOM 658 CA ASP A 879 39.056 6.431 18.814 1.00 18.76 C ATOM 659 C ASP A 879 37.769 6.108 18.056 1.00 19.25 C ATOM 660 O ASP A 879 37.397 6.821 17.117 1.00 19.26 O ATOM 661 CB ASP A 879 40.245 5.689 18.202 1.00 19.73 C ATOM 662 CG ASP A 879 40.679 6.265 16.864 1.00 28.15 C ATOM 663 OD1 ASP A 879 40.859 7.499 16.762 1.00 20.51 O ATOM 664 OD2 ASP A 879 40.841 5.477 15.906 1.00 30.02 O ATOM 665 H ASP A 879 39.592 5.416 20.652 1.00 0.00 H ATOM 666 N LEU A 880 37.079 5.048 18.465 1.00 20.36 N ATOM 667 CA LEU A 880 35.829 4.675 17.819 1.00 20.91 C ATOM 668 C LEU A 880 34.790 5.790 17.990 1.00 21.07 C ATOM 669 O LEU A 880 34.064 6.126 17.054 1.00 20.79 O ATOM 670 CB LEU A 880 35.314 3.349 18.388 1.00 22.24 C ATOM 671 CG LEU A 880 34.130 2.728 17.651 1.00 23.84 C ATOM 672 CD1 LEU A 880 34.547 2.286 16.251 1.00 27.22 C ATOM 673 CD2 LEU A 880 33.577 1.552 18.447 1.00 25.44 C ATOM 674 H LEU A 880 37.437 4.477 19.257 1.00 0.00 H ATOM 675 N VAL A 881 34.734 6.376 19.180 1.00 19.59 N ATOM 676 CA VAL A 881 33.789 7.460 19.422 1.00 19.97 C ATOM 677 C VAL A 881 34.198 8.717 18.651 1.00 18.63 C ATOM 678 O VAL A 881 33.342 9.434 18.114 1.00 19.26 O ATOM 679 CB VAL A 881 33.662 7.745 20.934 1.00 19.36 C ATOM 680 CG1 VAL A 881 32.746 8.937 21.190 1.00 22.90 C ATOM 681 CG2 VAL A 881 33.123 6.508 21.640 1.00 21.92 C ATOM 682 H VAL A 881 35.367 6.061 19.943 1.00 0.00 H ATOM 683 N LEU A 882 35.501 8.985 18.574 1.00 17.93 N ATOM 684 CA LEU A 882 35.979 10.133 17.814 1.00 17.66 C ATOM 685 C LEU A 882 35.573 10.017 16.340 1.00 18.52 C ATOM 686 O LEU A 882 35.164 11.001 15.713 1.00 18.81 O ATOM 687 CB LEU A 882 37.499 10.270 17.945 1.00 17.64 C ATOM 688 CG LEU A 882 38.026 10.479 19.368 1.00 16.92 C ATOM 689 CD1 LEU A 882 39.538 10.623 19.361 1.00 17.08 C ATOM 690 CD2 LEU A 882 37.403 11.718 19.973 1.00 18.07 C ATOM 691 H LEU A 882 36.183 8.369 19.061 1.00 0.00 H ATOM 692 N GLU A 883 35.672 8.814 15.788 1.00 19.30 N ATOM 693 CA GLU A 883 35.252 8.593 14.411 1.00 20.62 C ATOM 694 C GLU A 883 33.733 8.719 14.259 1.00 21.22 C ATOM 695 O GLU A 883 33.244 9.253 13.261 1.00 22.16 O ATOM 696 CB GLU A 883 35.728 7.218 13.936 1.00 21.73 C ATOM 697 CG GLU A 883 37.232 7.123 13.762 1.00 37.07 C ATOM 698 CD GLU A 883 37.739 7.994 12.632 1.00 78.75 C ATOM 699 OE1 GLU A 883 37.028 8.113 11.611 1.00 50.01 O ATOM 700 OE2 GLU A 883 38.845 8.560 12.766 1.00 64.69 O ATOM 701 H GLU A 883 36.053 8.022 16.344 1.00 0.00 H ATOM 702 N GLU A 884 32.998 8.220 15.249 1.00 21.06 N ATOM 703 CA GLU A 884 31.540 8.298 15.253 1.00 22.02 C ATOM 704 C GLU A 884 31.066 9.740 15.105 1.00 21.79 C ATOM 705 O GLU A 884 30.083 10.016 14.401 1.00 23.46 O ATOM 706 CB GLU A 884 30.974 7.692 16.543 1.00 24.53 C ATOM 707 CG GLU A 884 29.464 7.840 16.692 1.00 28.80 C ATOM 708 CD GLU A 884 28.948 7.362 18.042 1.00 35.95 C ATOM 709 OE1 GLU A 884 29.746 6.834 18.841 1.00 27.48 O ATOM 710 OE2 GLU A 884 27.737 7.519 18.305 1.00 37.78 O ATOM 711 H GLU A 884 33.478 7.758 16.048 1.00 0.00 H ATOM 712 N PHE A 885 31.774 10.649 15.766 1.00 18.71 N ATOM 713 CA PHE A 885 31.403 12.061 15.753 1.00 17.40 C ATOM 714 C PHE A 885 32.216 12.883 14.757 1.00 16.39 C ATOM 715 O PHE A 885 32.178 14.103 14.802 1.00 16.90 O ATOM 716 CB PHE A 885 31.516 12.636 17.172 1.00 17.38 C ATOM 717 CG PHE A 885 30.409 12.189 18.075 1.00 19.52 C ATOM 718 CD1 PHE A 885 30.491 10.984 18.758 1.00 20.84 C ATOM 719 CD2 PHE A 885 29.254 12.944 18.199 1.00 23.61 C ATOM 720 CE1 PHE A 885 29.454 10.557 19.569 1.00 24.34 C ATOM 721 CE2 PHE A 885 28.213 12.521 19.008 1.00 25.70 C ATOM 722 CZ PHE A 885 28.311 11.326 19.692 1.00 24.11 C ATOM 723 H PHE A 885 32.611 10.348 16.305 1.00 0.00 H ATOM 724 N SER A 886 32.919 12.208 13.846 1.00 17.23 N ATOM 725 CA SER A 886 33.713 12.870 12.802 1.00 18.09 C ATOM 726 C SER A 886 34.579 14.003 13.366 1.00 16.97 C ATOM 727 O SER A 886 34.572 15.144 12.875 1.00 14.17 O ATOM 728 CB SER A 886 32.795 13.399 11.699 1.00 16.90 C ATOM 729 OG SER A 886 32.111 12.330 11.067 1.00 21.19 O ATOM 730 HG SER A 886 31.565 11.847 11.737 1.00 0.00 H ATOM 731 H SER A 886 32.904 11.169 13.876 1.00 0.00 H ATOM 732 N ILE A 887 35.321 13.684 14.416 1.00 14.81 N ATOM 733 CA ILE A 887 36.105 14.679 15.123 1.00 13.72 C ATOM 734 C ILE A 887 37.375 15.084 14.365 1.00 15.54 C ATOM 735 O ILE A 887 38.041 14.237 13.762 1.00 16.27 O ATOM 736 CB ILE A 887 36.451 14.143 16.530 1.00 13.15 C ATOM 737 CG1 ILE A 887 35.161 13.966 17.344 1.00 16.54 C ATOM 738 CG2 ILE A 887 37.449 15.047 17.250 1.00 13.44 C ATOM 739 CD1 ILE A 887 34.314 15.245 17.469 1.00 14.88 C ATOM 740 H ILE A 887 35.342 12.696 14.741 1.00 0.00 H ATOM 741 N ASP A 888 37.683 16.382 14.392 1.00 12.39 N ATOM 742 CA ASP A 888 38.895 16.932 13.785 1.00 13.27 C ATOM 743 C ASP A 888 40.005 17.189 14.799 1.00 13.46 C ATOM 744 O ASP A 888 41.186 17.043 14.473 1.00 15.50 O ATOM 745 CB ASP A 888 38.588 18.254 13.085 1.00 13.11 C ATOM 746 CG ASP A 888 37.570 18.106 11.993 1.00 15.72 C ATOM 747 OD1 ASP A 888 37.785 17.284 11.082 1.00 17.21 O ATOM 748 OD2 ASP A 888 36.553 18.822 12.052 1.00 14.16 O ATOM 749 H ASP A 888 37.029 17.035 14.868 1.00 0.00 H ATOM 750 N ILE A 889 39.623 17.618 16.003 1.00 11.18 N ATOM 751 CA ILE A 889 40.560 18.080 17.022 1.00 12.03 C ATOM 752 C ILE A 889 40.160 17.509 18.371 1.00 12.50 C ATOM 753 O ILE A 889 38.978 17.501 18.722 1.00 11.83 O ATOM 754 CB ILE A 889 40.594 19.627 17.107 1.00 11.08 C ATOM 755 CG1 ILE A 889 41.151 20.213 15.810 1.00 12.63 C ATOM 756 CG2 ILE A 889 41.405 20.103 18.329 1.00 11.65 C ATOM 757 CD1 ILE A 889 41.020 21.735 15.735 1.00 15.74 C ATOM 758 H ILE A 889 38.607 17.623 16.227 1.00 0.00 H ATOM 759 N VAL A 890 41.147 17.024 19.120 1.00 12.11 N ATOM 760 CA VAL A 890 40.923 16.485 20.458 1.00 11.67 C ATOM 761 C VAL A 890 41.571 17.398 21.484 1.00 11.95 C ATOM 762 O VAL A 890 42.733 17.759 21.332 1.00 11.95 O ATOM 763 CB VAL A 890 41.506 15.074 20.591 1.00 11.29 C ATOM 764 CG1 VAL A 890 41.328 14.551 22.019 1.00 14.95 C ATOM 765 CG2 VAL A 890 40.842 14.142 19.602 1.00 13.97 C ATOM 766 H VAL A 890 42.114 17.029 18.738 1.00 0.00 H ATOM 767 N CYS A 891 40.817 17.781 22.516 1.00 10.85 N ATOM 768 CA CYS A 891 41.371 18.532 23.650 1.00 10.44 C ATOM 769 C CYS A 891 41.377 17.687 24.909 1.00 10.81 C ATOM 770 O CYS A 891 40.331 17.189 25.314 1.00 14.34 O ATOM 771 CB CYS A 891 40.561 19.800 23.919 1.00 11.14 C ATOM 772 SG CYS A 891 40.695 21.065 22.651 1.00 12.06 S ATOM 773 H CYS A 891 39.805 17.540 22.517 1.00 0.00 H ATOM 774 N LEU A 892 42.547 17.546 25.534 1.00 10.00 N ATOM 775 CA LEU A 892 42.664 16.865 26.821 1.00 11.82 C ATOM 776 C LEU A 892 42.568 17.923 27.909 1.00 11.26 C ATOM 777 O LEU A 892 43.441 18.794 28.020 1.00 12.34 O ATOM 778 CB LEU A 892 43.984 16.091 26.920 1.00 12.54 C ATOM 779 CG LEU A 892 44.323 15.157 25.749 1.00 12.54 C ATOM 780 CD1 LEU A 892 45.604 14.373 26.060 1.00 14.94 C ATOM 781 CD2 LEU A 892 43.179 14.213 25.422 1.00 14.95 C ATOM 782 H LEU A 892 43.404 17.934 25.090 1.00 0.00 H ATOM 783 N ALA A 893 41.494 17.860 28.690 1.00 12.52 N ATOM 784 CA ALA A 893 41.163 18.925 29.645 1.00 11.94 C ATOM 785 C ALA A 893 40.959 18.303 31.016 1.00 13.20 C ATOM 786 O ALA A 893 39.849 17.943 31.404 1.00 14.35 O ATOM 787 CB ALA A 893 39.918 19.685 29.182 1.00 11.77 C ATOM 788 H ALA A 893 40.869 17.031 28.622 1.00 0.00 H ATOM 789 N GLY A 894 42.054 18.139 31.745 1.00 12.43 N ATOM 790 CA GLY A 894 42.023 17.410 32.996 1.00 14.03 C ATOM 791 C GLY A 894 41.918 15.906 32.817 1.00 14.03 C ATOM 792 O GLY A 894 41.644 15.201 33.768 1.00 16.06 O ATOM 793 H GLY A 894 42.953 18.542 31.412 1.00 0.00 H ATOM 794 N PHE A 895 42.137 15.430 31.593 1.00 14.36 N ATOM 795 CA PHE A 895 42.206 13.999 31.307 1.00 14.28 C ATOM 796 C PHE A 895 43.518 13.433 31.846 1.00 15.93 C ATOM 797 O PHE A 895 44.585 13.967 31.542 1.00 18.34 O ATOM 798 CB PHE A 895 42.086 13.792 29.794 1.00 13.83 C ATOM 799 CG PHE A 895 42.043 12.351 29.366 1.00 14.58 C ATOM 800 CD1 PHE A 895 40.903 11.587 29.561 1.00 16.51 C ATOM 801 CD2 PHE A 895 43.131 11.779 28.722 1.00 15.81 C ATOM 802 CE1 PHE A 895 40.855 10.264 29.135 1.00 19.89 C ATOM 803 CE2 PHE A 895 43.098 10.467 28.300 1.00 18.26 C ATOM 804 CZ PHE A 895 41.960 9.702 28.504 1.00 18.69 C ATOM 805 H PHE A 895 42.264 16.103 30.810 1.00 0.00 H ATOM 806 N MET A 896 43.469 12.380 32.657 1.00 16.29 N ATOM 807 CA MET A 896 44.676 11.996 33.383 1.00 18.13 C ATOM 808 C MET A 896 45.318 10.688 32.925 1.00 17.60 C ATOM 809 O MET A 896 46.197 10.170 33.611 1.00 20.54 O ATOM 810 CB MET A 896 44.390 11.929 34.889 1.00 23.30 C ATOM 811 CG MET A 896 44.143 13.299 35.546 1.00 24.86 C ATOM 812 SD MET A 896 45.389 14.588 35.220 1.00 30.58 S ATOM 813 CE MET A 896 46.888 13.769 35.750 1.00 40.95 C ATOM 814 H MET A 896 42.587 11.840 32.772 1.00 0.00 H ATOM 815 N ARG A 897 44.924 10.179 31.757 1.00 19.05 N ATOM 816 CA ARG A 897 45.549 8.963 31.232 1.00 18.34 C ATOM 817 C ARG A 897 46.641 9.269 30.210 1.00 18.46 C ATOM 818 O ARG A 897 46.483 10.142 29.350 1.00 18.42 O ATOM 819 CB ARG A 897 44.509 8.035 30.588 1.00 23.50 C ATOM 820 CG ARG A 897 43.345 7.652 31.491 1.00 23.83 C ATOM 821 CD ARG A 897 43.813 6.921 32.731 1.00 25.44 C ATOM 822 NE ARG A 897 44.401 5.627 32.404 1.00 24.91 N ATOM 823 CZ ARG A 897 44.955 4.820 33.301 1.00 28.90 C ATOM 824 NH1 ARG A 897 44.996 5.181 34.576 1.00 31.29 N ATOM 825 NH2 ARG A 897 45.469 3.658 32.923 1.00 29.50 N ATOM 826 HE ARG A 897 44.385 5.319 31.411 1.00 0.00 H ATOM 827 HH12 ARG A 897 45.429 4.551 35.281 1.00 0.00 H ATOM 828 HH11 ARG A 897 44.595 6.094 34.871 1.00 0.00 H ATOM 829 HH22 ARG A 897 45.902 3.027 33.627 1.00 0.00 H ATOM 830 HH21 ARG A 897 45.439 3.377 31.922 1.00 0.00 H ATOM 831 H ARG A 897 44.169 10.648 31.216 1.00 0.00 H ATOM 832 N ILE A 898 47.751 8.546 30.334 1.00 19.92 N ATOM 833 CA ILE A 898 48.785 8.513 29.310 1.00 21.01 C ATOM 834 C ILE A 898 48.253 7.751 28.107 1.00 19.40 C ATOM 835 O ILE A 898 47.724 6.651 28.253 1.00 22.01 O ATOM 836 CB ILE A 898 50.072 7.847 29.830 1.00 22.09 C ATOM 837 CG1 ILE A 898 50.660 8.665 30.982 1.00 21.62 C ATOM 838 CG2 ILE A 898 51.084 7.676 28.696 1.00 22.10 C ATOM 839 CD1 ILE A 898 51.817 7.995 31.687 1.00 27.71 C ATOM 840 H ILE A 898 47.885 7.982 31.197 1.00 0.00 H ATOM 841 N LEU A 899 48.376 8.346 26.925 1.00 18.94 N ATOM 842 CA LEU A 899 47.851 7.757 25.695 1.00 19.27 C ATOM 843 C LEU A 899 48.919 6.943 24.983 1.00 19.66 C ATOM 844 O LEU A 899 50.105 7.264 25.060 1.00 20.71 O ATOM 845 CB LEU A 899 47.318 8.852 24.768 1.00 17.96 C ATOM 846 CG LEU A 899 46.111 9.604 25.325 1.00 18.27 C ATOM 847 CD1 LEU A 899 45.905 10.899 24.571 1.00 18.39 C ATOM 848 CD2 LEU A 899 44.866 8.735 25.246 1.00 20.60 C ATOM 849 H LEU A 899 48.863 9.263 26.874 1.00 0.00 H ATOM 850 N SER A 900 48.495 5.878 24.303 1.00 20.37 N ATOM 851 CA SER A 900 49.417 5.006 23.586 1.00 21.45 C ATOM 852 C SER A 900 50.020 5.668 22.355 1.00 22.57 C ATOM 853 O SER A 900 49.445 6.599 21.782 1.00 21.38 O ATOM 854 CB SER A 900 48.712 3.713 23.162 1.00 25.80 C ATOM 855 OG SER A 900 47.754 3.977 22.151 1.00 25.47 O ATOM 856 HG SER A 900 47.079 4.613 22.496 1.00 0.00 H ATOM 857 H SER A 900 47.478 5.663 24.283 1.00 0.00 H ATOM 858 N GLY A 901 51.175 5.154 21.940 1.00 24.50 N ATOM 859 CA GLY A 901 51.887 5.679 20.790 1.00 28.03 C ATOM 860 C GLY A 901 51.082 5.760 19.504 1.00 23.99 C ATOM 861 O GLY A 901 51.040 6.809 18.868 1.00 23.89 O ATOM 862 H GLY A 901 51.581 4.349 22.458 1.00 0.00 H ATOM 863 N PRO A 902 50.454 4.650 19.095 1.00 26.17 N ATOM 864 CA PRO A 902 49.723 4.719 17.825 1.00 26.25 C ATOM 865 C PRO A 902 48.557 5.708 17.846 1.00 24.67 C ATOM 866 O PRO A 902 48.288 6.330 16.820 1.00 22.26 O ATOM 867 CB PRO A 902 49.224 3.282 17.632 1.00 28.92 C ATOM 868 CG PRO A 902 50.202 2.449 18.379 1.00 30.17 C ATOM 869 CD PRO A 902 50.587 3.263 19.580 1.00 27.58 C ATOM 870 N PHE A 903 47.883 5.857 18.982 1.00 21.70 N ATOM 871 CA PHE A 903 46.775 6.808 19.071 1.00 20.01 C ATOM 872 C PHE A 903 47.294 8.239 18.923 1.00 20.34 C ATOM 873 O PHE A 903 46.737 9.046 18.170 1.00 18.31 O ATOM 874 CB PHE A 903 46.024 6.623 20.397 1.00 20.97 C ATOM 875 CG PHE A 903 44.849 7.549 20.569 1.00 18.68 C ATOM 876 CD1 PHE A 903 43.605 7.221 20.053 1.00 20.07 C ATOM 877 CD2 PHE A 903 44.992 8.751 21.242 1.00 19.51 C ATOM 878 CE1 PHE A 903 42.523 8.076 20.213 1.00 18.91 C ATOM 879 CE2 PHE A 903 43.915 9.611 21.405 1.00 19.82 C ATOM 880 CZ PHE A 903 42.677 9.270 20.888 1.00 20.51 C ATOM 881 H PHE A 903 48.146 5.292 19.815 1.00 0.00 H ATOM 882 N VAL A 904 48.373 8.539 19.634 1.00 18.27 N ATOM 883 CA VAL A 904 49.013 9.841 19.538 1.00 18.23 C ATOM 884 C VAL A 904 49.472 10.133 18.106 1.00 18.32 C ATOM 885 O VAL A 904 49.281 11.240 17.603 1.00 18.91 O ATOM 886 CB VAL A 904 50.214 9.929 20.513 1.00 17.83 C ATOM 887 CG1 VAL A 904 51.034 11.184 20.255 1.00 22.11 C ATOM 888 CG2 VAL A 904 49.710 9.900 21.950 1.00 21.87 C ATOM 889 H VAL A 904 48.771 7.825 20.276 1.00 0.00 H ATOM 890 N GLN A 905 50.067 9.141 17.450 1.00 20.34 N ATOM 891 CA GLN A 905 50.530 9.334 16.079 1.00 22.52 C ATOM 892 C GLN A 905 49.365 9.621 15.137 1.00 23.79 C ATOM 893 O GLN A 905 49.444 10.522 14.296 1.00 22.53 O ATOM 894 CB GLN A 905 51.316 8.117 15.590 1.00 25.07 C ATOM 895 CG GLN A 905 51.884 8.292 14.189 1.00 44.48 C ATOM 896 CD GLN A 905 52.583 9.630 14.004 1.00 34.44 C ATOM 897 OE1 GLN A 905 53.455 10.006 14.790 1.00 50.88 O ATOM 898 NE2 GLN A 905 52.194 10.361 12.964 1.00 46.35 N ATOM 899 HE22 GLN A 905 51.454 10.005 12.326 1.00 0.00 H ATOM 900 HE21 GLN A 905 52.629 11.289 12.789 1.00 0.00 H ATOM 901 H GLN A 905 50.203 8.222 17.917 1.00 0.00 H ATOM 902 N LYS A 906 48.278 8.872 15.287 1.00 20.09 N ATOM 903 CA LYS A 906 47.103 9.080 14.441 1.00 21.95 C ATOM 904 C LYS A 906 46.584 10.506 14.567 1.00 20.35 C ATOM 905 O LYS A 906 46.195 11.130 13.579 1.00 20.36 O ATOM 906 CB LYS A 906 45.991 8.088 14.796 1.00 22.03 C ATOM 907 CG LYS A 906 44.686 8.346 14.040 1.00 23.46 C ATOM 908 CD LYS A 906 43.669 7.224 14.224 1.00 24.72 C ATOM 909 CE LYS A 906 42.337 7.589 13.565 1.00 28.40 C ATOM 910 NZ LYS A 906 41.411 6.415 13.508 1.00 28.65 N ATOM 911 HZ1 LYS A 906 41.853 5.653 12.956 1.00 0.00 H ATOM 912 HZ2 LYS A 906 41.219 6.079 14.473 1.00 0.00 H ATOM 913 HZ3 LYS A 906 40.519 6.700 13.055 1.00 0.00 H ATOM 914 H LYS A 906 48.262 8.129 16.015 1.00 0.00 H ATOM 915 N TRP A 907 46.593 11.024 15.787 1.00 17.57 N ATOM 916 CA TRP A 907 46.046 12.349 16.047 1.00 16.30 C ATOM 917 C TRP A 907 47.106 13.445 16.075 1.00 16.50 C ATOM 918 O TRP A 907 46.842 14.557 16.519 1.00 16.18 O ATOM 919 CB TRP A 907 45.241 12.323 17.355 1.00 17.58 C ATOM 920 CG TRP A 907 43.979 11.550 17.157 1.00 16.73 C ATOM 921 CD1 TRP A 907 43.773 10.227 17.426 1.00 17.42 C ATOM 922 CD2 TRP A 907 42.763 12.027 16.560 1.00 18.39 C ATOM 923 NE1 TRP A 907 42.500 9.854 17.054 1.00 18.94 N ATOM 924 CE2 TRP A 907 41.857 10.951 16.537 1.00 19.18 C ATOM 925 CE3 TRP A 907 42.344 13.271 16.073 1.00 20.16 C ATOM 926 CZ2 TRP A 907 40.566 11.067 16.019 1.00 21.47 C ATOM 927 CZ3 TRP A 907 41.058 13.385 15.568 1.00 20.00 C ATOM 928 CH2 TRP A 907 40.183 12.295 15.552 1.00 23.59 C ATOM 929 HE1 TRP A 907 42.094 8.901 17.149 1.00 0.00 H ATOM 930 H TRP A 907 46.998 10.475 16.572 1.00 0.00 H ATOM 931 N ASN A 908 48.291 13.140 15.550 1.00 16.60 N ATOM 932 CA ASN A 908 49.396 14.093 15.551 1.00 17.00 C ATOM 933 C ASN A 908 49.029 15.407 14.859 1.00 16.20 C ATOM 934 O ASN A 908 48.546 15.408 13.720 1.00 19.07 O ATOM 935 CB ASN A 908 50.633 13.460 14.883 1.00 18.19 C ATOM 936 CG ASN A 908 51.873 14.322 15.016 1.00 22.01 C ATOM 937 OD1 ASN A 908 52.277 14.675 16.117 1.00 22.64 O ATOM 938 ND2 ASN A 908 52.485 14.659 13.888 1.00 29.79 N ATOM 939 HD22 ASN A 908 52.106 14.337 12.975 1.00 0.00 H ATOM 940 HD21 ASN A 908 53.343 15.246 13.917 1.00 0.00 H ATOM 941 H ASN A 908 48.432 12.200 15.129 1.00 0.00 H ATOM 942 N GLY A 909 49.257 16.511 15.564 1.00 16.13 N ATOM 943 CA GLY A 909 48.930 17.833 15.061 1.00 17.89 C ATOM 944 C GLY A 909 47.467 18.196 15.248 1.00 17.70 C ATOM 945 O GLY A 909 47.040 19.276 14.838 1.00 16.72 O ATOM 946 H GLY A 909 49.684 16.425 16.508 1.00 0.00 H ATOM 947 N LYS A 910 46.696 17.307 15.870 1.00 15.92 N ATOM 948 CA LYS A 910 45.261 17.543 16.052 1.00 11.06 C ATOM 949 C LYS A 910 44.829 17.436 17.516 1.00 10.51 C ATOM 950 O LYS A 910 43.662 17.663 17.842 1.00 10.96 O ATOM 951 CB LYS A 910 44.446 16.557 15.207 1.00 12.36 C ATOM 952 CG LYS A 910 44.806 16.544 13.726 1.00 17.80 C ATOM 953 CD LYS A 910 43.982 15.514 12.958 1.00 15.26 C ATOM 954 CE LYS A 910 44.389 15.449 11.488 1.00 30.13 C ATOM 955 NZ LYS A 910 43.602 14.435 10.737 1.00 40.72 N ATOM 956 HZ1 LYS A 910 43.755 13.497 11.159 1.00 0.00 H ATOM 957 HZ2 LYS A 910 42.592 14.677 10.785 1.00 0.00 H ATOM 958 HZ3 LYS A 910 43.911 14.424 9.744 1.00 0.00 H ATOM 959 H LYS A 910 47.119 16.429 16.233 1.00 0.00 H ATOM 960 N MET A 911 45.763 17.101 18.400 1.00 12.64 N ATOM 961 CA MET A 911 45.410 16.856 19.794 1.00 12.00 C ATOM 962 C MET A 911 46.193 17.777 20.727 1.00 12.48 C ATOM 963 O MET A 911 47.417 17.862 20.642 1.00 13.13 O ATOM 964 CB MET A 911 45.637 15.379 20.140 1.00 14.42 C ATOM 965 CG MET A 911 45.258 15.036 21.570 1.00 12.85 C ATOM 966 SD MET A 911 44.965 13.283 21.823 1.00 18.34 S ATOM 967 CE MET A 911 46.475 12.571 21.163 1.00 17.68 C ATOM 968 H MET A 911 46.754 17.013 18.096 1.00 0.00 H ATOM 969 N LEU A 912 45.460 18.468 21.599 1.00 11.85 N ATOM 970 CA LEU A 912 45.995 19.500 22.474 1.00 10.91 C ATOM 971 C LEU A 912 45.821 19.080 23.918 1.00 12.28 C ATOM 972 O LEU A 912 44.827 18.455 24.252 1.00 12.36 O ATOM 973 CB LEU A 912 45.272 20.838 22.270 1.00 11.97 C ATOM 974 CG LEU A 912 45.503 21.649 20.995 1.00 17.67 C ATOM 975 CD1 LEU A 912 44.993 20.934 19.784 1.00 21.23 C ATOM 976 CD2 LEU A 912 44.818 23.000 21.134 1.00 16.64 C ATOM 977 H LEU A 912 44.443 18.257 21.658 1.00 0.00 H ATOM 978 N ASN A 913 46.774 19.458 24.772 1.00 10.14 N ATOM 979 CA ASN A 913 46.694 19.204 26.212 1.00 10.74 C ATOM 980 C ASN A 913 46.971 20.468 26.998 1.00 9.70 C ATOM 981 O ASN A 913 47.789 21.283 26.574 1.00 10.85 O ATOM 982 CB ASN A 913 47.699 18.116 26.611 1.00 11.23 C ATOM 983 CG ASN A 913 47.657 17.787 28.089 1.00 11.93 C ATOM 984 OD1 ASN A 913 46.619 17.390 28.619 1.00 12.74 O ATOM 985 ND2 ASN A 913 48.807 17.928 28.763 1.00 11.75 N ATOM 986 HD22 ASN A 913 49.659 18.267 28.272 1.00 0.00 H ATOM 987 HD21 ASN A 913 48.847 17.698 29.777 1.00 0.00 H ATOM 988 H ASN A 913 47.609 19.954 24.399 1.00 0.00 H ATOM 989 N ILE A 914 46.299 20.632 28.135 1.00 10.10 N ATOM 990 CA ILE A 914 46.611 21.715 29.074 1.00 10.32 C ATOM 991 C ILE A 914 47.355 21.116 30.266 1.00 10.60 C ATOM 992 O ILE A 914 46.966 20.077 30.812 1.00 12.24 O ATOM 993 CB ILE A 914 45.335 22.495 29.544 1.00 11.43 C ATOM 994 CG1 ILE A 914 45.692 23.645 30.485 1.00 14.95 C ATOM 995 CG2 ILE A 914 44.333 21.603 30.262 1.00 13.33 C ATOM 996 CD1 ILE A 914 46.266 24.824 29.811 1.00 18.00 C ATOM 997 H ILE A 914 45.529 19.972 28.365 1.00 0.00 H ATOM 998 N HIS A 915 48.454 21.763 30.636 1.00 10.44 N ATOM 999 CA HIS A 915 49.312 21.281 31.706 1.00 10.91 C ATOM 1000 C HIS A 915 49.597 22.439 32.651 1.00 10.58 C ATOM 1001 O HIS A 915 49.958 23.519 32.196 1.00 10.39 O ATOM 1002 CB HIS A 915 50.611 20.724 31.137 1.00 11.75 C ATOM 1003 CG HIS A 915 51.521 20.189 32.187 1.00 10.93 C ATOM 1004 ND1 HIS A 915 51.371 18.934 32.728 1.00 12.39 N ATOM 1005 CD2 HIS A 915 52.571 20.758 32.828 1.00 12.67 C ATOM 1006 CE1 HIS A 915 52.297 18.744 33.654 1.00 13.43 C ATOM 1007 NE2 HIS A 915 53.033 19.838 33.735 1.00 12.76 N ATOM 1008 H HIS A 915 48.709 22.643 30.144 1.00 0.00 H ATOM 1009 N PRO A 916 49.448 22.222 33.972 1.00 9.45 N ATOM 1010 CA PRO A 916 49.547 23.331 34.935 1.00 10.38 C ATOM 1011 C PRO A 916 50.974 23.618 35.415 1.00 10.42 C ATOM 1012 O PRO A 916 51.225 23.730 36.618 1.00 11.41 O ATOM 1013 CB PRO A 916 48.665 22.854 36.091 1.00 11.67 C ATOM 1014 CG PRO A 916 48.885 21.343 36.089 1.00 11.02 C ATOM 1015 CD PRO A 916 48.982 20.973 34.609 1.00 10.06 C ATOM 1016 N SER A 917 51.894 23.762 34.471 1.00 10.19 N ATOM 1017 CA SER A 917 53.218 24.321 34.756 1.00 9.77 C ATOM 1018 C SER A 917 53.695 25.016 33.501 1.00 10.39 C ATOM 1019 O SER A 917 53.079 24.888 32.433 1.00 10.57 O ATOM 1020 CB SER A 917 54.225 23.254 35.187 1.00 11.16 C ATOM 1021 OG SER A 917 54.612 22.460 34.077 1.00 11.84 O ATOM 1022 HG SER A 917 55.263 21.776 34.373 1.00 0.00 H ATOM 1023 H SER A 917 51.669 23.469 33.499 1.00 0.00 H ATOM 1024 N LEU A 918 54.797 25.747 33.622 1.00 9.37 N ATOM 1025 CA LEU A 918 55.493 26.258 32.452 1.00 9.15 C ATOM 1026 C LEU A 918 56.461 25.178 31.971 1.00 9.98 C ATOM 1027 O LEU A 918 57.611 25.085 32.437 1.00 10.30 O ATOM 1028 CB LEU A 918 56.236 27.551 32.779 1.00 10.98 C ATOM 1029 CG LEU A 918 55.356 28.761 33.112 1.00 9.43 C ATOM 1030 CD1 LEU A 918 56.237 29.928 33.563 1.00 10.89 C ATOM 1031 CD2 LEU A 918 54.488 29.176 31.912 1.00 10.57 C ATOM 1032 H LEU A 918 55.169 25.958 34.570 1.00 0.00 H ATOM 1033 N LEU A 919 55.983 24.324 31.070 1.00 9.76 N ATOM 1034 CA LEU A 919 56.847 23.295 30.500 1.00 9.88 C ATOM 1035 C LEU A 919 58.063 23.987 29.876 1.00 10.56 C ATOM 1036 O LEU A 919 57.949 25.083 29.309 1.00 10.95 O ATOM 1037 CB LEU A 919 56.066 22.459 29.478 1.00 11.59 C ATOM 1038 CG LEU A 919 54.979 21.578 30.089 1.00 10.41 C ATOM 1039 CD1 LEU A 919 54.130 20.941 28.998 1.00 12.58 C ATOM 1040 CD2 LEU A 919 55.592 20.501 30.984 1.00 11.54 C ATOM 1041 H LEU A 919 54.989 24.390 30.770 1.00 0.00 H ATOM 1042 N PRO A 920 59.248 23.369 29.961 1.00 10.64 N ATOM 1043 CA PRO A 920 59.489 21.968 30.344 1.00 11.05 C ATOM 1044 C PRO A 920 59.649 21.694 31.845 1.00 12.25 C ATOM 1045 O PRO A 920 59.949 20.545 32.196 1.00 14.17 O ATOM 1046 CB PRO A 920 60.784 21.645 29.594 1.00 12.32 C ATOM 1047 CG PRO A 920 61.541 22.964 29.599 1.00 13.65 C ATOM 1048 CD PRO A 920 60.447 23.998 29.376 1.00 11.97 C ATOM 1049 N SER A 921 59.453 22.686 32.710 1.00 11.25 N ATOM 1050 CA SER A 921 59.487 22.416 34.150 1.00 11.38 C ATOM 1051 C SER A 921 58.279 21.606 34.577 1.00 10.51 C ATOM 1052 O SER A 921 57.185 21.775 34.038 1.00 11.82 O ATOM 1053 CB SER A 921 59.511 23.710 34.970 1.00 11.50 C ATOM 1054 OG SER A 921 60.747 24.386 34.829 1.00 13.93 O ATOM 1055 HG SER A 921 60.732 25.216 35.369 1.00 0.00 H ATOM 1056 H SER A 921 59.276 23.651 32.365 1.00 0.00 H ATOM 1057 N PHE A 922 58.497 20.735 35.558 1.00 10.76 N ATOM 1058 CA PHE A 922 57.421 20.067 36.313 1.00 11.36 C ATOM 1059 C PHE A 922 56.461 19.273 35.431 1.00 12.14 C ATOM 1060 O PHE A 922 55.242 19.427 35.509 1.00 11.88 O ATOM 1061 CB PHE A 922 56.665 21.103 37.162 1.00 11.24 C ATOM 1062 CG PHE A 922 57.577 22.015 37.941 1.00 9.44 C ATOM 1063 CD1 PHE A 922 58.636 21.497 38.655 1.00 11.33 C ATOM 1064 CD2 PHE A 922 57.387 23.389 37.921 1.00 10.81 C ATOM 1065 CE1 PHE A 922 59.493 22.333 39.368 1.00 11.79 C ATOM 1066 CE2 PHE A 922 58.245 24.238 38.624 1.00 11.25 C ATOM 1067 CZ PHE A 922 59.289 23.708 39.345 1.00 11.56 C ATOM 1068 H PHE A 922 59.482 20.512 35.807 1.00 0.00 H ATOM 1069 N LYS A 923 57.031 18.395 34.615 1.00 12.45 N ATOM 1070 CA LYS A 923 56.239 17.417 33.868 1.00 13.46 C ATOM 1071 C LYS A 923 55.586 16.432 34.818 1.00 13.81 C ATOM 1072 O LYS A 923 56.111 16.155 35.896 1.00 15.00 O ATOM 1073 CB LYS A 923 57.120 16.656 32.876 1.00 13.93 C ATOM 1074 CG LYS A 923 57.761 17.552 31.825 1.00 14.95 C ATOM 1075 CD LYS A 923 58.694 16.763 30.918 1.00 17.25 C ATOM 1076 CE LYS A 923 59.254 17.646 29.813 1.00 27.31 C ATOM 1077 NZ LYS A 923 60.222 16.910 28.937 1.00 28.21 N ATOM 1078 HZ1 LYS A 923 61.018 16.568 29.513 1.00 0.00 H ATOM 1079 HZ2 LYS A 923 59.741 16.102 28.493 1.00 0.00 H ATOM 1080 HZ3 LYS A 923 60.577 17.551 28.199 1.00 0.00 H ATOM 1081 H LYS A 923 58.065 18.402 34.504 1.00 0.00 H ATOM 1082 N GLY A 924 54.451 15.874 34.406 1.00 15.20 N ATOM 1083 CA GLY A 924 53.828 14.808 35.175 1.00 14.94 C ATOM 1084 C GLY A 924 52.534 15.197 35.863 1.00 16.63 C ATOM 1085 O GLY A 924 51.983 16.254 35.590 1.00 17.34 O ATOM 1086 H GLY A 924 54.005 16.203 33.526 1.00 0.00 H ATOM 1087 N SER A 925 52.054 14.347 36.772 1.00 18.24 N ATOM 1088 CA SER A 925 50.693 14.495 37.279 1.00 21.02 C ATOM 1089 C SER A 925 50.545 15.364 38.524 1.00 36.36 C ATOM 1090 O SER A 925 49.419 15.642 38.941 1.00 25.80 O ATOM 1091 CB SER A 925 50.111 13.121 37.582 1.00 25.08 C ATOM 1092 OG SER A 925 50.903 12.491 38.566 1.00 26.12 O ATOM 1093 HG SER A 925 51.829 12.394 38.230 1.00 0.00 H ATOM 1094 H SER A 925 52.654 13.573 37.122 1.00 0.00 H ATOM 1095 N ASN A 926 51.662 15.777 39.118 1.00 17.18 N ATOM 1096 CA ASN A 926 51.639 16.573 40.349 1.00 15.88 C ATOM 1097 C ASN A 926 52.464 17.845 40.205 1.00 15.60 C ATOM 1098 O ASN A 926 53.325 18.148 41.049 1.00 14.38 O ATOM 1099 CB ASN A 926 52.157 15.757 41.528 1.00 17.89 C ATOM 1100 CG ASN A 926 53.607 15.355 41.362 1.00 34.88 C ATOM 1101 OD1 ASN A 926 54.117 15.280 40.244 1.00 24.14 O ATOM 1102 ND2 ASN A 926 54.293 15.138 42.480 1.00 25.04 N ATOM 1103 HD22 ASN A 926 53.820 15.213 43.403 1.00 0.00 H ATOM 1104 HD21 ASN A 926 55.303 14.894 42.431 1.00 0.00 H ATOM 1105 H ASN A 926 52.579 15.527 38.696 1.00 0.00 H ATOM 1106 N ALA A 927 52.209 18.588 39.134 1.00 13.39 N ATOM 1107 CA ALA A 927 53.023 19.751 38.819 1.00 10.62 C ATOM 1108 C ALA A 927 53.047 20.770 39.956 1.00 11.80 C ATOM 1109 O ALA A 927 54.106 21.317 40.263 1.00 12.48 O ATOM 1110 CB ALA A 927 52.532 20.410 37.527 1.00 12.72 C ATOM 1111 H ALA A 927 51.415 18.334 38.512 1.00 0.00 H ATOM 1112 N HIS A 928 51.902 21.028 40.585 1.00 11.08 N ATOM 1113 CA HIS A 928 51.883 22.026 41.662 1.00 11.60 C ATOM 1114 C HIS A 928 52.701 21.578 42.864 1.00 11.21 C ATOM 1115 O HIS A 928 53.406 22.391 43.463 1.00 11.64 O ATOM 1116 CB HIS A 928 50.459 22.330 42.111 1.00 12.45 C ATOM 1117 CG HIS A 928 49.606 22.920 41.036 1.00 11.15 C ATOM 1118 ND1 HIS A 928 49.946 24.071 40.359 1.00 13.01 N ATOM 1119 CD2 HIS A 928 48.426 22.506 40.525 1.00 13.28 C ATOM 1120 CE1 HIS A 928 48.996 24.346 39.479 1.00 12.48 C ATOM 1121 NE2 HIS A 928 48.072 23.407 39.552 1.00 13.10 N ATOM 1122 H HIS A 928 51.031 20.528 40.316 1.00 0.00 H ATOM 1123 N GLU A 929 52.616 20.299 43.222 1.00 11.73 N ATOM 1124 CA GLU A 929 53.443 19.781 44.312 1.00 11.24 C ATOM 1125 C GLU A 929 54.920 20.005 43.995 1.00 12.43 C ATOM 1126 O GLU A 929 55.702 20.408 44.863 1.00 12.66 O ATOM 1127 CB GLU A 929 53.158 18.295 44.557 1.00 13.57 C ATOM 1128 CG GLU A 929 51.806 18.031 45.173 1.00 14.53 C ATOM 1129 CD GLU A 929 51.646 16.585 45.586 1.00 32.57 C ATOM 1130 OE1 GLU A 929 52.482 15.766 45.158 1.00 22.49 O ATOM 1131 OE2 GLU A 929 50.700 16.265 46.339 1.00 24.22 O ATOM 1132 H GLU A 929 51.959 19.665 42.725 1.00 0.00 H ATOM 1133 N GLN A 930 55.301 19.743 42.751 1.00 12.53 N ATOM 1134 CA GLN A 930 56.691 19.916 42.348 1.00 11.70 C ATOM 1135 C GLN A 930 57.118 21.382 42.391 1.00 12.50 C ATOM 1136 O GLN A 930 58.208 21.706 42.878 1.00 12.76 O ATOM 1137 CB GLN A 930 56.916 19.374 40.940 1.00 11.56 C ATOM 1138 CG GLN A 930 56.743 17.879 40.763 1.00 13.57 C ATOM 1139 CD GLN A 930 57.004 17.504 39.329 1.00 13.27 C ATOM 1140 OE1 GLN A 930 58.072 17.813 38.794 1.00 15.39 O ATOM 1141 NE2 GLN A 930 56.023 16.893 38.676 1.00 16.00 N ATOM 1142 HE22 GLN A 930 55.140 16.652 39.170 1.00 0.00 H ATOM 1143 HE21 GLN A 930 56.137 16.655 37.670 1.00 0.00 H ATOM 1144 H GLN A 930 54.601 19.411 42.057 1.00 0.00 H ATOM 1145 N ALA A 931 56.260 22.265 41.886 1.00 11.52 N ATOM 1146 CA ALA A 931 56.577 23.687 41.876 1.00 9.84 C ATOM 1147 C ALA A 931 56.767 24.211 43.298 1.00 11.59 C ATOM 1148 O ALA A 931 57.707 24.973 43.577 1.00 11.11 O ATOM 1149 CB ALA A 931 55.482 24.474 41.157 1.00 11.33 C ATOM 1150 H ALA A 931 55.354 21.937 41.495 1.00 0.00 H ATOM 1151 N LEU A 932 55.892 23.791 44.204 1.00 10.98 N ATOM 1152 CA LEU A 932 55.995 24.217 45.598 1.00 11.02 C ATOM 1153 C LEU A 932 57.227 23.634 46.274 1.00 13.29 C ATOM 1154 O LEU A 932 57.921 24.342 47.004 1.00 14.31 O ATOM 1155 CB LEU A 932 54.719 23.850 46.369 1.00 11.98 C ATOM 1156 CG LEU A 932 53.492 24.641 45.890 1.00 12.24 C ATOM 1157 CD1 LEU A 932 52.195 24.064 46.419 1.00 14.31 C ATOM 1158 CD2 LEU A 932 53.624 26.105 46.299 1.00 14.77 C ATOM 1159 H LEU A 932 55.124 23.151 43.918 1.00 0.00 H ATOM 1160 N GLU A 933 57.524 22.362 46.024 1.00 12.18 N ATOM 1161 CA GLU A 933 58.714 21.746 46.622 1.00 12.66 C ATOM 1162 C GLU A 933 59.989 22.429 46.122 1.00 11.95 C ATOM 1163 O GLU A 933 60.917 22.663 46.894 1.00 14.56 O ATOM 1164 CB GLU A 933 58.753 20.242 46.313 1.00 13.95 C ATOM 1165 CG GLU A 933 60.037 19.538 46.761 1.00 16.33 C ATOM 1166 CD GLU A 933 60.294 19.645 48.256 1.00 66.77 C ATOM 1167 OE1 GLU A 933 59.323 19.778 49.031 1.00 48.02 O ATOM 1168 OE2 GLU A 933 61.475 19.593 48.658 1.00 60.39 O ATOM 1169 H GLU A 933 56.909 21.800 45.401 1.00 0.00 H ATOM 1170 N THR A 934 60.026 22.762 44.836 1.00 13.06 N ATOM 1171 CA THR A 934 61.215 23.376 44.246 1.00 12.47 C ATOM 1172 C THR A 934 61.407 24.821 44.720 1.00 14.05 C ATOM 1173 O THR A 934 62.541 25.296 44.854 1.00 19.09 O ATOM 1174 CB THR A 934 61.118 23.319 42.721 1.00 14.23 C ATOM 1175 OG1 THR A 934 61.141 21.946 42.318 1.00 16.72 O ATOM 1176 CG2 THR A 934 62.285 24.052 42.062 1.00 14.71 C ATOM 1177 HG1 THR A 934 60.374 21.471 42.725 1.00 0.00 H ATOM 1178 H THR A 934 59.194 22.583 44.238 1.00 0.00 H ATOM 1179 N GLY A 935 60.301 25.503 45.000 1.00 12.40 N ATOM 1180 CA GLY A 935 60.358 26.855 45.525 1.00 13.34 C ATOM 1181 C GLY A 935 60.387 27.949 44.474 1.00 12.67 C ATOM 1182 O GLY A 935 60.858 29.053 44.747 1.00 12.58 O ATOM 1183 H GLY A 935 59.375 25.058 44.839 1.00 0.00 H ATOM 1184 N VAL A 936 59.877 27.671 43.276 1.00 11.19 N ATOM 1185 CA VAL A 936 59.761 28.733 42.282 1.00 10.49 C ATOM 1186 C VAL A 936 58.836 29.835 42.797 1.00 10.60 C ATOM 1187 O VAL A 936 57.941 29.588 43.627 1.00 11.28 O ATOM 1188 CB VAL A 936 59.231 28.211 40.912 1.00 10.10 C ATOM 1189 CG1 VAL A 936 60.207 27.209 40.313 1.00 11.30 C ATOM 1190 CG2 VAL A 936 57.835 27.613 41.034 1.00 11.47 C ATOM 1191 H VAL A 936 59.564 26.705 43.051 1.00 0.00 H ATOM 1192 N THR A 937 59.051 31.057 42.315 1.00 9.91 N ATOM 1193 CA THR A 937 58.115 32.134 42.614 1.00 10.40 C ATOM 1194 C THR A 937 57.235 32.460 41.407 1.00 10.10 C ATOM 1195 O THR A 937 56.284 33.244 41.517 1.00 10.08 O ATOM 1196 CB THR A 937 58.840 33.405 43.063 1.00 10.36 C ATOM 1197 OG1 THR A 937 59.645 33.881 41.984 1.00 12.56 O ATOM 1198 CG2 THR A 937 59.751 33.146 44.269 1.00 12.30 C ATOM 1199 HG1 THR A 937 60.118 34.704 42.265 1.00 0.00 H ATOM 1200 H THR A 937 59.887 31.244 41.725 1.00 0.00 H ATOM 1201 N VAL A 938 57.550 31.850 40.263 1.00 9.70 N ATOM 1202 CA VAL A 938 56.737 31.982 39.057 1.00 10.11 C ATOM 1203 C VAL A 938 56.473 30.587 38.520 1.00 9.88 C ATOM 1204 O VAL A 938 57.410 29.828 38.278 1.00 11.38 O ATOM 1205 CB VAL A 938 57.432 32.848 37.986 1.00 9.02 C ATOM 1206 CG1 VAL A 938 56.630 32.818 36.673 1.00 11.15 C ATOM 1207 CG2 VAL A 938 57.608 34.276 38.481 1.00 10.59 C ATOM 1208 H VAL A 938 58.405 31.259 40.229 1.00 0.00 H ATOM 1209 N THR A 939 55.197 30.250 38.367 1.00 9.20 N ATOM 1210 CA THR A 939 54.810 29.025 37.677 1.00 8.53 C ATOM 1211 C THR A 939 53.889 29.436 36.525 1.00 8.96 C ATOM 1212 O THR A 939 54.021 30.545 36.010 1.00 9.64 O ATOM 1213 CB THR A 939 54.170 28.005 38.659 1.00 9.75 C ATOM 1214 OG1 THR A 939 53.971 26.756 37.978 1.00 10.34 O ATOM 1215 CG2 THR A 939 52.871 28.513 39.269 1.00 11.22 C ATOM 1216 HG1 THR A 939 53.563 26.103 38.601 1.00 0.00 H ATOM 1217 H THR A 939 54.457 30.874 38.748 1.00 0.00 H ATOM 1218 N GLY A 940 52.977 28.566 36.096 1.00 9.05 N ATOM 1219 CA GLY A 940 52.090 28.933 35.012 1.00 10.42 C ATOM 1220 C GLY A 940 51.437 27.711 34.431 1.00 9.38 C ATOM 1221 O GLY A 940 51.350 26.666 35.073 1.00 10.09 O ATOM 1222 H GLY A 940 52.902 27.627 36.537 1.00 0.00 H ATOM 1223 N CYS A 941 50.974 27.849 33.195 1.00 8.95 N ATOM 1224 CA CYS A 941 50.347 26.735 32.503 1.00 8.93 C ATOM 1225 C CYS A 941 50.745 26.758 31.031 1.00 8.79 C ATOM 1226 O CYS A 941 51.206 27.795 30.511 1.00 9.38 O ATOM 1227 CB CYS A 941 48.821 26.777 32.649 1.00 11.16 C ATOM 1228 SG CYS A 941 48.048 28.333 32.174 1.00 10.85 S ATOM 1229 H CYS A 941 51.061 28.767 32.715 1.00 0.00 H ATOM 1230 N THR A 942 50.563 25.606 30.384 1.00 9.14 N ATOM 1231 CA THR A 942 51.005 25.373 29.016 1.00 8.41 C ATOM 1232 C THR A 942 49.944 24.621 28.244 1.00 9.24 C ATOM 1233 O THR A 942 49.416 23.627 28.735 1.00 10.63 O ATOM 1234 CB THR A 942 52.284 24.533 28.994 1.00 9.49 C ATOM 1235 OG1 THR A 942 53.296 25.208 29.754 1.00 9.84 O ATOM 1236 CG2 THR A 942 52.782 24.316 27.560 1.00 10.74 C ATOM 1237 HG1 THR A 942 52.986 25.322 30.687 1.00 0.00 H ATOM 1238 H THR A 942 50.079 24.832 30.883 1.00 0.00 H ATOM 1239 N VAL A 943 49.634 25.091 27.038 1.00 9.54 N ATOM 1240 CA VAL A 943 48.906 24.264 26.079 1.00 9.54 C ATOM 1241 C VAL A 943 49.893 23.780 25.027 1.00 9.56 C ATOM 1242 O VAL A 943 50.626 24.585 24.449 1.00 10.78 O ATOM 1243 CB VAL A 943 47.750 25.013 25.395 1.00 10.10 C ATOM 1244 CG1 VAL A 943 47.040 24.081 24.421 1.00 11.16 C ATOM 1245 CG2 VAL A 943 46.765 25.530 26.423 1.00 12.78 C ATOM 1246 H VAL A 943 49.913 26.058 26.776 1.00 0.00 H ATOM 1247 N HIS A 944 49.924 22.474 24.785 1.00 9.68 N ATOM 1248 CA HIS A 944 50.856 21.911 23.817 1.00 9.87 C ATOM 1249 C HIS A 944 50.183 20.860 22.967 1.00 10.67 C ATOM 1250 O HIS A 944 49.190 20.246 23.368 1.00 11.32 O ATOM 1251 CB HIS A 944 52.084 21.301 24.526 1.00 10.52 C ATOM 1252 CG HIS A 944 51.748 20.177 25.456 1.00 10.46 C ATOM 1253 ND1 HIS A 944 51.828 18.855 25.078 1.00 11.95 N ATOM 1254 CD2 HIS A 944 51.319 20.175 26.741 1.00 12.15 C ATOM 1255 CE1 HIS A 944 51.471 18.086 26.091 1.00 12.75 C ATOM 1256 NE2 HIS A 944 51.158 18.861 27.113 1.00 12.76 N ATOM 1257 H HIS A 944 49.273 21.844 25.295 1.00 0.00 H ATOM 1258 N PHE A 945 50.728 20.653 21.778 1.00 10.74 N ATOM 1259 CA PHE A 945 50.371 19.487 20.994 1.00 11.52 C ATOM 1260 C PHE A 945 50.840 18.236 21.722 1.00 12.61 C ATOM 1261 O PHE A 945 51.926 18.214 22.318 1.00 13.45 O ATOM 1262 CB PHE A 945 51.003 19.537 19.607 1.00 11.98 C ATOM 1263 CG PHE A 945 50.333 20.490 18.660 1.00 12.96 C ATOM 1264 CD1 PHE A 945 49.077 20.201 18.148 1.00 14.45 C ATOM 1265 CD2 PHE A 945 50.964 21.659 18.261 1.00 13.16 C ATOM 1266 CE1 PHE A 945 48.454 21.074 17.259 1.00 15.36 C ATOM 1267 CE2 PHE A 945 50.343 22.532 17.373 1.00 13.36 C ATOM 1268 CZ PHE A 945 49.090 22.234 16.878 1.00 14.47 C ATOM 1269 H PHE A 945 51.419 21.334 21.403 1.00 0.00 H ATOM 1270 N VAL A 946 50.031 17.187 21.663 1.00 12.40 N ATOM 1271 CA VAL A 946 50.379 15.937 22.330 1.00 15.00 C ATOM 1272 C VAL A 946 51.293 15.076 21.469 1.00 14.96 C ATOM 1273 O VAL A 946 50.956 14.722 20.339 1.00 15.72 O ATOM 1274 CB VAL A 946 49.113 15.154 22.700 1.00 13.08 C ATOM 1275 CG1 VAL A 946 49.463 13.773 23.252 1.00 16.87 C ATOM 1276 CG2 VAL A 946 48.315 15.951 23.725 1.00 14.99 C ATOM 1277 H VAL A 946 49.138 17.256 21.135 1.00 0.00 H ATOM 1278 N ALA A 947 52.464 14.759 22.012 1.00 15.68 N ATOM 1279 CA ALA A 947 53.407 13.849 21.372 1.00 16.11 C ATOM 1280 C ALA A 947 53.509 12.587 22.222 1.00 17.77 C ATOM 1281 O ALA A 947 52.958 12.550 23.318 1.00 17.38 O ATOM 1282 CB ALA A 947 54.761 14.508 21.218 1.00 18.44 C ATOM 1283 H ALA A 947 52.718 15.177 22.930 1.00 0.00 H ATOM 1284 N GLU A 948 54.210 11.563 21.743 1.00 19.38 N ATOM 1285 CA GLU A 948 54.245 10.305 22.485 1.00 19.74 C ATOM 1286 C GLU A 948 54.870 10.505 23.862 1.00 22.41 C ATOM 1287 O GLU A 948 54.331 10.043 24.868 1.00 21.71 O ATOM 1288 CB GLU A 948 54.998 9.223 21.715 1.00 22.53 C ATOM 1289 CG GLU A 948 55.065 7.919 22.490 1.00 32.58 C ATOM 1290 CD GLU A 948 55.393 6.723 21.623 1.00 72.21 C ATOM 1291 OE1 GLU A 948 55.603 6.903 20.405 1.00 40.62 O ATOM 1292 OE2 GLU A 948 55.432 5.600 22.166 1.00 50.33 O ATOM 1293 H GLU A 948 54.729 11.657 20.847 1.00 0.00 H ATOM 1294 N ASP A 949 55.990 11.221 23.897 1.00 15.81 N ATOM 1295 CA ASP A 949 56.652 11.583 25.145 1.00 29.01 C ATOM 1296 C ASP A 949 55.765 12.545 25.936 1.00 16.04 C ATOM 1297 O ASP A 949 55.431 13.629 25.450 1.00 17.19 O ATOM 1298 CB ASP A 949 58.015 12.214 24.847 1.00 21.02 C ATOM 1299 CG ASP A 949 58.906 12.301 26.068 1.00 20.83 C ATOM 1300 OD1 ASP A 949 58.580 11.674 27.098 1.00 29.62 O ATOM 1301 OD2 ASP A 949 59.948 12.986 25.985 1.00 29.09 O ATOM 1302 H ASP A 949 56.410 11.535 22.999 1.00 0.00 H ATOM 1303 N VAL A 950 55.379 12.148 27.147 1.00 18.31 N ATOM 1304 CA VAL A 950 54.422 12.926 27.926 1.00 16.65 C ATOM 1305 C VAL A 950 54.923 14.330 28.257 1.00 15.51 C ATOM 1306 O VAL A 950 56.056 14.512 28.711 1.00 18.69 O ATOM 1307 CB VAL A 950 54.048 12.189 29.231 1.00 19.45 C ATOM 1308 CG1 VAL A 950 53.149 13.053 30.101 1.00 21.33 C ATOM 1309 CG2 VAL A 950 53.367 10.853 28.898 1.00 23.05 C ATOM 1310 H VAL A 950 55.766 11.268 27.544 1.00 0.00 H ATOM 1311 N ASP A 951 54.076 15.317 27.970 1.00 13.76 N ATOM 1312 CA ASP A 951 54.334 16.724 28.277 1.00 13.47 C ATOM 1313 C ASP A 951 55.549 17.274 27.535 1.00 14.86 C ATOM 1314 O ASP A 951 56.153 18.258 27.972 1.00 17.19 O ATOM 1315 CB ASP A 951 54.509 16.929 29.791 1.00 13.69 C ATOM 1316 CG ASP A 951 53.245 16.634 30.567 1.00 16.67 C ATOM 1317 OD1 ASP A 951 52.142 16.638 29.959 1.00 15.33 O ATOM 1318 OD2 ASP A 951 53.340 16.419 31.793 1.00 16.83 O ATOM 1319 H ASP A 951 53.180 15.074 27.501 1.00 0.00 H ATOM 1320 N ALA A 952 55.885 16.664 26.401 1.00 15.87 N ATOM 1321 CA ALA A 952 57.064 17.063 25.638 1.00 16.07 C ATOM 1322 C ALA A 952 56.742 17.570 24.234 1.00 15.55 C ATOM 1323 O ALA A 952 57.648 17.966 23.501 1.00 18.64 O ATOM 1324 CB ALA A 952 58.049 15.894 25.548 1.00 21.16 C ATOM 1325 H ALA A 952 55.293 15.884 26.050 1.00 0.00 H ATOM 1326 N GLY A 953 55.464 17.562 23.861 1.00 13.72 N ATOM 1327 CA GLY A 953 55.060 18.003 22.534 1.00 13.88 C ATOM 1328 C GLY A 953 55.179 19.508 22.360 1.00 13.13 C ATOM 1329 O GLY A 953 55.471 20.237 23.312 1.00 15.13 O ATOM 1330 H GLY A 953 54.740 17.234 24.531 1.00 0.00 H ATOM 1331 N GLN A 954 54.933 19.962 21.136 1.00 13.21 N ATOM 1332 CA GLN A 954 55.191 21.356 20.762 1.00 14.95 C ATOM 1333 C GLN A 954 54.271 22.340 21.477 1.00 13.32 C ATOM 1334 O GLN A 954 53.047 22.198 21.469 1.00 13.01 O ATOM 1335 CB GLN A 954 55.052 21.521 19.255 1.00 14.59 C ATOM 1336 CG GLN A 954 56.211 20.930 18.478 1.00 20.22 C ATOM 1337 CD GLN A 954 57.443 21.800 18.586 1.00 32.89 C ATOM 1338 OE1 GLN A 954 57.521 22.859 17.966 1.00 30.72 O ATOM 1339 NE2 GLN A 954 58.400 21.374 19.396 1.00 23.51 N ATOM 1340 HE22 GLN A 954 58.291 20.471 19.900 1.00 0.00 H ATOM 1341 HE21 GLN A 954 59.261 21.942 19.528 1.00 0.00 H ATOM 1342 H GLN A 954 54.547 19.311 20.423 1.00 0.00 H ATOM 1343 N ILE A 955 54.877 23.350 22.086 1.00 12.19 N ATOM 1344 CA ILE A 955 54.166 24.342 22.869 1.00 10.60 C ATOM 1345 C ILE A 955 53.438 25.340 21.982 1.00 12.03 C ATOM 1346 O ILE A 955 54.014 25.875 21.027 1.00 13.05 O ATOM 1347 CB ILE A 955 55.144 25.066 23.802 1.00 11.56 C ATOM 1348 CG1 ILE A 955 55.626 24.080 24.875 1.00 11.66 C ATOM 1349 CG2 ILE A 955 54.486 26.288 24.446 1.00 11.28 C ATOM 1350 CD1 ILE A 955 56.811 24.586 25.676 1.00 14.02 C ATOM 1351 H ILE A 955 55.910 23.435 21.998 1.00 0.00 H ATOM 1352 N ILE A 956 52.170 25.575 22.299 1.00 10.88 N ATOM 1353 CA ILE A 956 51.346 26.515 21.550 1.00 9.78 C ATOM 1354 C ILE A 956 51.240 27.853 22.289 1.00 11.38 C ATOM 1355 O ILE A 956 51.597 28.900 21.736 1.00 11.56 O ATOM 1356 CB ILE A 956 49.936 25.936 21.283 1.00 10.40 C ATOM 1357 CG1 ILE A 956 50.056 24.633 20.484 1.00 11.81 C ATOM 1358 CG2 ILE A 956 49.080 26.951 20.541 1.00 13.52 C ATOM 1359 CD1 ILE A 956 48.771 23.807 20.475 1.00 13.96 C ATOM 1360 H ILE A 956 51.752 25.072 23.108 1.00 0.00 H ATOM 1361 N LEU A 957 50.760 27.824 23.539 1.00 9.60 N ATOM 1362 CA LEU A 957 50.663 29.028 24.373 1.00 9.33 C ATOM 1363 C LEU A 957 51.048 28.693 25.792 1.00 10.15 C ATOM 1364 O LEU A 957 50.944 27.531 26.210 1.00 10.42 O ATOM 1365 CB LEU A 957 49.248 29.621 24.383 1.00 10.08 C ATOM 1366 CG LEU A 957 48.689 30.187 23.087 1.00 11.48 C ATOM 1367 CD1 LEU A 957 47.256 30.625 23.345 1.00 11.63 C ATOM 1368 CD2 LEU A 957 49.530 31.366 22.584 1.00 13.16 C ATOM 1369 H LEU A 957 50.444 26.915 23.933 1.00 0.00 H ATOM 1370 N GLN A 958 51.507 29.705 26.522 1.00 9.15 N ATOM 1371 CA GLN A 958 51.823 29.593 27.948 1.00 8.05 C ATOM 1372 C GLN A 958 51.406 30.884 28.622 1.00 9.64 C ATOM 1373 O GLN A 958 51.317 31.931 27.974 1.00 10.92 O ATOM 1374 CB GLN A 958 53.308 29.346 28.196 1.00 8.94 C ATOM 1375 CG GLN A 958 53.806 28.043 27.586 1.00 9.97 C ATOM 1376 CD GLN A 958 55.283 27.797 27.851 1.00 9.94 C ATOM 1377 OE1 GLN A 958 56.156 28.510 27.351 1.00 9.72 O ATOM 1378 NE2 GLN A 958 55.574 26.770 28.643 1.00 10.23 N ATOM 1379 HE22 GLN A 958 54.810 26.191 29.046 1.00 0.00 H ATOM 1380 HE21 GLN A 958 56.566 26.545 28.860 1.00 0.00 H ATOM 1381 H GLN A 958 51.649 30.624 26.056 1.00 0.00 H ATOM 1382 N GLU A 959 51.159 30.810 29.926 1.00 9.30 N ATOM 1383 CA GLU A 959 50.901 32.012 30.720 1.00 9.47 C ATOM 1384 C GLU A 959 51.515 31.832 32.097 1.00 9.21 C ATOM 1385 O GLU A 959 51.254 30.827 32.771 1.00 9.99 O ATOM 1386 CB GLU A 959 49.393 32.302 30.841 1.00 10.55 C ATOM 1387 CG GLU A 959 49.120 33.564 31.647 1.00 10.40 C ATOM 1388 CD GLU A 959 47.661 33.997 31.680 1.00 16.91 C ATOM 1389 OE1 GLU A 959 46.901 33.660 30.751 1.00 19.04 O ATOM 1390 OE2 GLU A 959 47.280 34.691 32.654 1.00 19.16 O ATOM 1391 H GLU A 959 51.149 29.880 30.391 1.00 0.00 H ATOM 1392 N ALA A 960 52.327 32.801 32.507 1.00 8.19 N ATOM 1393 CA ALA A 960 52.939 32.786 33.826 1.00 8.36 C ATOM 1394 C ALA A 960 51.960 33.215 34.906 1.00 9.60 C ATOM 1395 O ALA A 960 51.121 34.093 34.693 1.00 11.70 O ATOM 1396 CB ALA A 960 54.148 33.699 33.843 1.00 10.08 C ATOM 1397 H ALA A 960 52.531 33.594 31.865 1.00 0.00 H ATOM 1398 N VAL A 961 52.116 32.598 36.076 1.00 9.46 N ATOM 1399 CA VAL A 961 51.275 32.839 37.246 1.00 10.01 C ATOM 1400 C VAL A 961 52.188 32.897 38.462 1.00 9.40 C ATOM 1401 O VAL A 961 53.003 32.008 38.640 1.00 10.28 O ATOM 1402 CB VAL A 961 50.243 31.708 37.418 1.00 9.74 C ATOM 1403 CG1 VAL A 961 49.440 31.901 38.700 1.00 10.48 C ATOM 1404 CG2 VAL A 961 49.325 31.617 36.202 1.00 11.95 C ATOM 1405 H VAL A 961 52.884 31.902 36.162 1.00 0.00 H ATOM 1406 N PRO A 962 52.055 33.929 39.310 1.00 9.38 N ATOM 1407 CA PRO A 962 52.924 33.995 40.490 1.00 10.97 C ATOM 1408 C PRO A 962 52.578 32.938 41.525 1.00 10.96 C ATOM 1409 O PRO A 962 51.408 32.529 41.649 1.00 11.51 O ATOM 1410 CB PRO A 962 52.658 35.391 41.054 1.00 12.17 C ATOM 1411 CG PRO A 962 51.264 35.703 40.608 1.00 15.22 C ATOM 1412 CD PRO A 962 51.132 35.078 39.236 1.00 10.89 C ATOM 1413 N VAL A 963 53.610 32.487 42.234 1.00 10.66 N ATOM 1414 CA VAL A 963 53.446 31.692 43.446 1.00 9.81 C ATOM 1415 C VAL A 963 53.522 32.657 44.610 1.00 11.19 C ATOM 1416 O VAL A 963 54.461 33.445 44.712 1.00 13.80 O ATOM 1417 CB VAL A 963 54.533 30.621 43.583 1.00 10.84 C ATOM 1418 CG1 VAL A 963 54.342 29.829 44.885 1.00 12.83 C ATOM 1419 CG2 VAL A 963 54.529 29.703 42.385 1.00 12.35 C ATOM 1420 H VAL A 963 54.573 32.711 41.911 1.00 0.00 H ATOM 1421 N LYS A 964 52.527 32.620 45.483 1.00 12.31 N ATOM 1422 CA LYS A 964 52.537 33.458 46.669 1.00 13.26 C ATOM 1423 C LYS A 964 53.086 32.680 47.849 1.00 12.85 C ATOM 1424 O LYS A 964 52.875 31.471 47.956 1.00 14.11 O ATOM 1425 CB LYS A 964 51.127 33.949 46.985 1.00 15.82 C ATOM 1426 CG LYS A 964 50.538 34.897 45.958 1.00 25.27 C ATOM 1427 CD LYS A 964 49.185 35.402 46.446 1.00 51.75 C ATOM 1428 CE LYS A 964 48.728 36.639 45.693 1.00 65.27 C ATOM 1429 NZ LYS A 964 47.487 37.206 46.295 1.00 69.37 N ATOM 1430 HZ1 LYS A 964 46.729 36.495 46.258 1.00 0.00 H ATOM 1431 HZ2 LYS A 964 47.671 37.467 47.285 1.00 0.00 H ATOM 1432 HZ3 LYS A 964 47.198 38.050 45.760 1.00 0.00 H ATOM 1433 H LYS A 964 51.725 31.980 45.316 1.00 0.00 H ATOM 1434 N ARG A 965 53.790 33.360 48.744 1.00 15.81 N ATOM 1435 CA ARG A 965 54.322 32.692 49.920 1.00 14.97 C ATOM 1436 C ARG A 965 53.187 32.157 50.790 1.00 15.85 C ATOM 1437 O ARG A 965 52.224 32.864 51.083 1.00 26.81 O ATOM 1438 CB ARG A 965 55.222 33.644 50.702 1.00 24.71 C ATOM 1439 CG ARG A 965 56.378 34.149 49.855 1.00 23.15 C ATOM 1440 CD ARG A 965 57.348 35.008 50.640 1.00 20.42 C ATOM 1441 NE ARG A 965 56.844 36.350 50.920 1.00 24.73 N ATOM 1442 CZ ARG A 965 56.702 37.319 50.016 1.00 29.64 C ATOM 1443 NH1 ARG A 965 56.998 37.115 48.731 1.00 14.31 N ATOM 1444 NH2 ARG A 965 56.242 38.501 50.401 1.00 29.69 N ATOM 1445 HE ARG A 965 56.575 36.566 51.901 1.00 0.00 H ATOM 1446 HH12 ARG A 965 56.880 37.885 48.042 1.00 0.00 H ATOM 1447 HH11 ARG A 965 57.347 36.186 48.419 1.00 0.00 H ATOM 1448 HH22 ARG A 965 56.126 39.266 49.706 1.00 0.00 H ATOM 1449 HH21 ARG A 965 55.997 38.664 51.398 1.00 0.00 H ATOM 1450 H ARG A 965 53.962 34.376 48.604 1.00 0.00 H ATOM 1451 N GLY A 966 53.302 30.891 51.172 1.00 16.02 N ATOM 1452 CA GLY A 966 52.241 30.217 51.901 1.00 15.90 C ATOM 1453 C GLY A 966 51.280 29.458 50.999 1.00 13.02 C ATOM 1454 O GLY A 966 50.370 28.803 51.520 1.00 14.31 O ATOM 1455 H GLY A 966 54.172 30.369 50.944 1.00 0.00 H ATOM 1456 N ASP A 967 51.470 29.526 49.682 1.00 12.34 N ATOM 1457 CA ASP A 967 50.598 28.786 48.774 1.00 11.01 C ATOM 1458 C ASP A 967 50.589 27.296 49.076 1.00 12.79 C ATOM 1459 O ASP A 967 51.581 26.726 49.544 1.00 14.62 O ATOM 1460 CB ASP A 967 51.037 28.968 47.324 1.00 12.23 C ATOM 1461 CG ASP A 967 50.275 30.057 46.580 1.00 11.35 C ATOM 1462 OD1 ASP A 967 49.192 30.510 47.032 1.00 12.67 O ATOM 1463 OD2 ASP A 967 50.778 30.416 45.497 1.00 11.01 O ATOM 1464 H ASP A 967 52.242 30.108 49.299 1.00 0.00 H ATOM 1465 N THR A 968 49.453 26.683 48.780 1.00 11.73 N ATOM 1466 CA THR A 968 49.272 25.239 48.828 1.00 13.74 C ATOM 1467 C THR A 968 48.829 24.797 47.439 1.00 11.48 C ATOM 1468 O THR A 968 48.564 25.637 46.561 1.00 11.87 O ATOM 1469 CB THR A 968 48.209 24.845 49.822 1.00 13.88 C ATOM 1470 OG1 THR A 968 46.957 25.379 49.360 1.00 14.15 O ATOM 1471 CG2 THR A 968 48.522 25.399 51.203 1.00 14.46 C ATOM 1472 HG1 THR A 968 46.240 25.134 49.997 1.00 0.00 H ATOM 1473 H THR A 968 48.641 27.268 48.496 1.00 0.00 H ATOM 1474 N VAL A 969 48.742 23.492 47.212 1.00 10.77 N ATOM 1475 CA VAL A 969 48.180 23.017 45.963 1.00 11.15 C ATOM 1476 C VAL A 969 46.788 23.626 45.764 1.00 10.17 C ATOM 1477 O VAL A 969 46.449 24.031 44.657 1.00 11.25 O ATOM 1478 CB VAL A 969 48.122 21.478 45.923 1.00 11.92 C ATOM 1479 CG1 VAL A 969 47.276 20.997 44.763 1.00 13.81 C ATOM 1480 CG2 VAL A 969 49.543 20.894 45.828 1.00 14.76 C ATOM 1481 H VAL A 969 49.075 22.814 47.927 1.00 0.00 H ATOM 1482 N ALA A 970 46.002 23.737 46.831 1.00 11.68 N ATOM 1483 CA ALA A 970 44.650 24.304 46.699 1.00 10.96 C ATOM 1484 C ALA A 970 44.674 25.740 46.189 1.00 11.93 C ATOM 1485 O ALA A 970 43.947 26.079 45.250 1.00 11.78 O ATOM 1486 CB ALA A 970 43.921 24.243 48.026 1.00 11.72 C ATOM 1487 H ALA A 970 46.344 23.422 47.762 1.00 0.00 H ATOM 1488 N THR A 971 45.494 26.596 46.792 1.00 9.81 N ATOM 1489 CA THR A 971 45.470 28.004 46.385 1.00 9.90 C ATOM 1490 C THR A 971 46.224 28.241 45.076 1.00 10.63 C ATOM 1491 O THR A 971 45.787 29.058 44.245 1.00 10.66 O ATOM 1492 CB THR A 971 46.035 28.929 47.487 1.00 10.39 C ATOM 1493 OG1 THR A 971 47.389 28.579 47.784 1.00 11.75 O ATOM 1494 CG2 THR A 971 45.199 28.834 48.756 1.00 11.86 C ATOM 1495 HG1 THR A 971 47.940 28.675 46.967 1.00 0.00 H ATOM 1496 H THR A 971 46.141 26.272 47.539 1.00 0.00 H ATOM 1497 N LEU A 972 47.334 27.532 44.871 1.00 9.63 N ATOM 1498 CA LEU A 972 48.093 27.690 43.640 1.00 9.16 C ATOM 1499 C LEU A 972 47.314 27.143 42.445 1.00 9.98 C ATOM 1500 O LEU A 972 47.279 27.787 41.392 1.00 9.68 O ATOM 1501 CB LEU A 972 49.462 27.011 43.759 1.00 9.35 C ATOM 1502 CG LEU A 972 50.377 27.191 42.546 1.00 8.74 C ATOM 1503 CD1 LEU A 972 50.605 28.690 42.239 1.00 11.51 C ATOM 1504 CD2 LEU A 972 51.701 26.470 42.761 1.00 11.42 C ATOM 1505 H LEU A 972 47.660 26.861 45.596 1.00 0.00 H ATOM 1506 N SER A 973 46.697 25.971 42.588 1.00 9.98 N ATOM 1507 CA SER A 973 45.938 25.413 41.469 1.00 9.77 C ATOM 1508 C SER A 973 44.775 26.328 41.092 1.00 10.58 C ATOM 1509 O SER A 973 44.477 26.498 39.903 1.00 10.30 O ATOM 1510 CB SER A 973 45.431 24.001 41.787 1.00 9.79 C ATOM 1511 OG SER A 973 44.467 23.988 42.833 1.00 10.99 O ATOM 1512 HG SER A 973 44.871 24.359 43.657 1.00 0.00 H ATOM 1513 H SER A 973 46.755 25.456 43.490 1.00 0.00 H ATOM 1514 N GLU A 974 44.132 26.930 42.091 1.00 10.05 N ATOM 1515 CA GLU A 974 43.036 27.862 41.837 1.00 10.31 C ATOM 1516 C GLU A 974 43.503 29.050 40.996 1.00 10.31 C ATOM 1517 O GLU A 974 42.846 29.428 40.018 1.00 11.32 O ATOM 1518 CB GLU A 974 42.462 28.329 43.168 1.00 10.59 C ATOM 1519 CG GLU A 974 41.348 29.345 43.079 1.00 12.36 C ATOM 1520 CD GLU A 974 40.819 29.654 44.459 1.00 12.33 C ATOM 1521 OE1 GLU A 974 41.593 30.181 45.292 1.00 14.35 O ATOM 1522 OE2 GLU A 974 39.648 29.330 44.741 1.00 15.32 O ATOM 1523 H GLU A 974 44.416 26.733 43.072 1.00 0.00 H ATOM 1524 N ARG A 975 44.660 29.608 41.345 1.00 10.04 N ATOM 1525 CA ARG A 975 45.184 30.764 40.625 1.00 9.64 C ATOM 1526 C ARG A 975 45.599 30.380 39.205 1.00 10.24 C ATOM 1527 O ARG A 975 45.309 31.106 38.243 1.00 11.93 O ATOM 1528 CB ARG A 975 46.370 31.378 41.387 1.00 8.74 C ATOM 1529 CG ARG A 975 46.685 32.814 40.949 1.00 10.03 C ATOM 1530 CD ARG A 975 47.909 33.417 41.684 1.00 10.12 C ATOM 1531 NE ARG A 975 47.670 33.316 43.118 1.00 9.74 N ATOM 1532 CZ ARG A 975 48.298 32.485 43.943 1.00 9.12 C ATOM 1533 NH1 ARG A 975 49.327 31.743 43.528 1.00 10.37 N ATOM 1534 NH2 ARG A 975 47.895 32.413 45.207 1.00 10.70 N ATOM 1535 HE ARG A 975 46.950 33.945 43.528 1.00 0.00 H ATOM 1536 HH12 ARG A 975 49.804 31.099 44.191 1.00 0.00 H ATOM 1537 HH11 ARG A 975 49.651 31.809 42.542 1.00 0.00 H ATOM 1538 HH22 ARG A 975 48.373 31.769 45.869 1.00 0.00 H ATOM 1539 HH21 ARG A 975 47.102 33.001 45.534 1.00 0.00 H ATOM 1540 H ARG A 975 45.199 29.214 42.143 1.00 0.00 H ATOM 1541 N VAL A 976 46.250 29.229 39.067 1.00 9.15 N ATOM 1542 CA VAL A 976 46.715 28.798 37.754 1.00 9.13 C ATOM 1543 C VAL A 976 45.528 28.450 36.846 1.00 9.94 C ATOM 1544 O VAL A 976 45.586 28.732 35.645 1.00 10.16 O ATOM 1545 CB VAL A 976 47.711 27.618 37.879 1.00 8.97 C ATOM 1546 CG1 VAL A 976 48.035 27.028 36.508 1.00 10.58 C ATOM 1547 CG2 VAL A 976 49.001 28.106 38.544 1.00 11.05 C ATOM 1548 H VAL A 976 46.429 28.633 39.900 1.00 0.00 H ATOM 1549 N LYS A 977 44.443 27.900 37.394 1.00 9.52 N ATOM 1550 CA LYS A 977 43.270 27.586 36.567 1.00 9.55 C ATOM 1551 C LYS A 977 42.681 28.833 35.906 1.00 10.44 C ATOM 1552 O LYS A 977 42.161 28.730 34.795 1.00 10.92 O ATOM 1553 CB LYS A 977 42.201 26.856 37.386 1.00 10.39 C ATOM 1554 CG LYS A 977 42.502 25.360 37.487 1.00 12.51 C ATOM 1555 CD LYS A 977 41.454 24.622 38.271 1.00 17.52 C ATOM 1556 CE LYS A 977 41.857 23.167 38.457 1.00 21.58 C ATOM 1557 NZ LYS A 977 40.724 22.375 39.018 1.00 40.32 N ATOM 1558 HZ1 LYS A 977 40.450 22.770 39.940 1.00 0.00 H ATOM 1559 HZ2 LYS A 977 39.915 22.420 38.366 1.00 0.00 H ATOM 1560 HZ3 LYS A 977 41.020 21.385 39.137 1.00 0.00 H ATOM 1561 H LYS A 977 44.427 27.692 38.413 1.00 0.00 H ATOM 1562 N LEU A 978 42.786 30.006 36.535 1.00 10.16 N ATOM 1563 CA LEU A 978 42.290 31.222 35.886 1.00 11.70 C ATOM 1564 C LEU A 978 43.038 31.471 34.580 1.00 10.58 C ATOM 1565 O LEU A 978 42.452 31.920 33.589 1.00 12.53 O ATOM 1566 CB LEU A 978 42.421 32.428 36.815 1.00 12.75 C ATOM 1567 CG LEU A 978 41.596 32.319 38.098 1.00 14.75 C ATOM 1568 CD1 LEU A 978 41.850 33.530 38.982 1.00 20.49 C ATOM 1569 CD2 LEU A 978 40.118 32.207 37.762 1.00 18.99 C ATOM 1570 H LEU A 978 43.217 30.056 37.480 1.00 0.00 H ATOM 1571 N ALA A 979 44.326 31.162 34.568 1.00 9.83 N ATOM 1572 CA ALA A 979 45.122 31.315 33.356 1.00 9.94 C ATOM 1573 C ALA A 979 44.831 30.192 32.368 1.00 9.97 C ATOM 1574 O ALA A 979 44.768 30.436 31.151 1.00 10.19 O ATOM 1575 CB ALA A 979 46.604 31.359 33.708 1.00 10.71 C ATOM 1576 H ALA A 979 44.776 30.805 35.435 1.00 0.00 H ATOM 1577 N GLU A 980 44.646 28.969 32.864 1.00 9.18 N ATOM 1578 CA GLU A 980 44.327 27.835 31.993 1.00 9.61 C ATOM 1579 C GLU A 980 43.093 28.146 31.170 1.00 10.06 C ATOM 1580 O GLU A 980 43.022 27.826 29.977 1.00 10.35 O ATOM 1581 CB GLU A 980 44.080 26.568 32.807 1.00 9.36 C ATOM 1582 CG GLU A 980 45.305 26.058 33.545 1.00 9.25 C ATOM 1583 CD GLU A 980 45.024 24.788 34.276 1.00 13.26 C ATOM 1584 OE1 GLU A 980 44.332 23.918 33.719 1.00 15.72 O ATOM 1585 OE2 GLU A 980 45.522 24.634 35.411 1.00 14.81 O ATOM 1586 H GLU A 980 44.730 28.817 33.889 1.00 0.00 H ATOM 1587 N HIS A 981 42.116 28.764 31.817 1.00 10.42 N ATOM 1588 CA HIS A 981 40.840 29.073 31.181 1.00 10.34 C ATOM 1589 C HIS A 981 40.943 30.179 30.144 1.00 11.51 C ATOM 1590 O HIS A 981 39.997 30.402 29.396 1.00 13.03 O ATOM 1591 CB HIS A 981 39.815 29.454 32.240 1.00 10.71 C ATOM 1592 CG HIS A 981 39.575 28.376 33.246 1.00 11.58 C ATOM 1593 ND1 HIS A 981 38.975 28.617 34.463 1.00 13.33 N ATOM 1594 CD2 HIS A 981 39.867 27.052 33.221 1.00 12.19 C ATOM 1595 CE1 HIS A 981 38.908 27.488 35.147 1.00 15.35 C ATOM 1596 NE2 HIS A 981 39.446 26.524 34.420 1.00 14.11 N ATOM 1597 H HIS A 981 42.263 29.037 32.810 1.00 0.00 H ATOM 1598 N LYS A 982 42.080 30.874 30.139 1.00 8.04 N ATOM 1599 CA LYS A 982 42.385 31.874 29.127 1.00 14.47 C ATOM 1600 C LYS A 982 43.088 31.221 27.944 1.00 8.00 C ATOM 1601 O LYS A 982 42.642 31.354 26.804 1.00 30.12 O ATOM 1602 CB LYS A 982 43.259 32.993 29.711 1.00 9.51 C ATOM 1603 CG LYS A 982 42.533 33.904 30.701 1.00 19.17 C ATOM 1604 CD LYS A 982 43.506 34.746 31.529 1.00 11.87 C ATOM 1605 CE LYS A 982 44.324 35.697 30.664 1.00 17.33 C ATOM 1606 NZ LYS A 982 45.291 36.482 31.492 1.00 17.49 N ATOM 1607 HZ1 LYS A 982 44.769 37.040 32.198 1.00 0.00 H ATOM 1608 HZ2 LYS A 982 45.941 35.830 31.976 1.00 0.00 H ATOM 1609 HZ3 LYS A 982 45.834 37.121 30.876 1.00 0.00 H ATOM 1610 H LYS A 982 42.778 30.694 30.889 1.00 0.00 H ATOM 1611 N ILE A 983 44.189 30.516 28.202 1.00 10.04 N ATOM 1612 CA ILE A 983 45.026 30.037 27.101 1.00 9.43 C ATOM 1613 C ILE A 983 44.476 28.801 26.408 1.00 9.07 C ATOM 1614 O ILE A 983 44.758 28.610 25.228 1.00 10.40 O ATOM 1615 CB ILE A 983 46.514 29.786 27.518 1.00 9.70 C ATOM 1616 CG1 ILE A 983 46.670 28.650 28.531 1.00 10.67 C ATOM 1617 CG2 ILE A 983 47.169 31.095 27.985 1.00 12.43 C ATOM 1618 CD1 ILE A 983 48.130 28.193 28.679 1.00 11.68 C ATOM 1619 H ILE A 983 44.454 30.306 29.186 1.00 0.00 H ATOM 1620 N PHE A 984 43.694 27.957 27.072 1.00 10.31 N ATOM 1621 CA PHE A 984 43.202 26.785 26.343 1.00 10.05 C ATOM 1622 C PHE A 984 42.174 27.197 25.279 1.00 10.12 C ATOM 1623 O PHE A 984 42.332 26.805 24.117 1.00 10.49 O ATOM 1624 CB PHE A 984 42.701 25.728 27.337 1.00 11.36 C ATOM 1625 CG PHE A 984 42.704 24.314 26.798 1.00 10.85 C ATOM 1626 CD1 PHE A 984 43.207 24.009 25.535 1.00 14.06 C ATOM 1627 CD2 PHE A 984 42.423 23.263 27.660 1.00 10.73 C ATOM 1628 CE1 PHE A 984 43.262 22.673 25.088 1.00 12.84 C ATOM 1629 CE2 PHE A 984 42.495 21.949 27.235 1.00 12.46 C ATOM 1630 CZ PHE A 984 42.927 21.647 25.956 1.00 12.93 C ATOM 1631 H PHE A 984 43.442 28.121 28.067 1.00 0.00 H ATOM 1632 N PRO A 985 41.175 28.034 25.624 1.00 9.49 N ATOM 1633 CA PRO A 985 40.302 28.521 24.547 1.00 11.53 C ATOM 1634 C PRO A 985 41.066 29.249 23.438 1.00 9.75 C ATOM 1635 O PRO A 985 40.751 29.077 22.254 1.00 10.65 O ATOM 1636 CB PRO A 985 39.354 29.475 25.272 1.00 14.80 C ATOM 1637 CG PRO A 985 39.279 28.915 26.681 1.00 13.33 C ATOM 1638 CD PRO A 985 40.701 28.472 26.956 1.00 10.10 C ATOM 1639 N ALA A 986 42.074 30.043 23.792 1.00 9.86 N ATOM 1640 CA ALA A 986 42.824 30.772 22.768 1.00 10.04 C ATOM 1641 C ALA A 986 43.597 29.813 21.862 1.00 11.04 C ATOM 1642 O ALA A 986 43.601 29.970 20.633 1.00 10.80 O ATOM 1643 CB ALA A 986 43.772 31.792 23.415 1.00 10.91 C ATOM 1644 H ALA A 986 42.328 30.145 24.795 1.00 0.00 H ATOM 1645 N ALA A 987 44.219 28.798 22.459 1.00 10.50 N ATOM 1646 CA ALA A 987 44.970 27.830 21.668 1.00 9.89 C ATOM 1647 C ALA A 987 44.064 27.019 20.757 1.00 9.87 C ATOM 1648 O ALA A 987 44.412 26.754 19.601 1.00 10.98 O ATOM 1649 CB ALA A 987 45.763 26.908 22.575 1.00 10.63 C ATOM 1650 H ALA A 987 44.169 28.695 23.493 1.00 0.00 H ATOM 1651 N LEU A 988 42.911 26.596 21.270 1.00 9.93 N ATOM 1652 CA LEU A 988 41.975 25.851 20.441 1.00 9.06 C ATOM 1653 C LEU A 988 41.532 26.680 19.235 1.00 10.27 C ATOM 1654 O LEU A 988 41.466 26.159 18.117 1.00 10.88 O ATOM 1655 CB LEU A 988 40.765 25.413 21.268 1.00 10.43 C ATOM 1656 CG LEU A 988 39.673 24.731 20.449 1.00 9.33 C ATOM 1657 CD1 LEU A 988 40.196 23.488 19.716 1.00 11.62 C ATOM 1658 CD2 LEU A 988 38.509 24.340 21.355 1.00 11.49 C ATOM 1659 H LEU A 988 42.679 26.798 22.263 1.00 0.00 H ATOM 1660 N GLN A 989 41.266 27.969 19.448 1.00 10.04 N ATOM 1661 CA GLN A 989 40.872 28.831 18.334 1.00 10.37 C ATOM 1662 C GLN A 989 42.006 28.974 17.311 1.00 10.56 C ATOM 1663 O GLN A 989 41.754 28.948 16.098 1.00 11.79 O ATOM 1664 CB GLN A 989 40.427 30.199 18.859 1.00 10.81 C ATOM 1665 CG GLN A 989 40.100 31.207 17.770 1.00 14.20 C ATOM 1666 CD GLN A 989 38.971 30.775 16.857 1.00 19.74 C ATOM 1667 OE1 GLN A 989 38.109 29.979 17.241 1.00 14.10 O ATOM 1668 NE2 GLN A 989 38.982 31.290 15.624 1.00 19.85 N ATOM 1669 HE22 GLN A 989 39.729 31.958 15.346 1.00 0.00 H ATOM 1670 HE21 GLN A 989 38.243 31.023 14.942 1.00 0.00 H ATOM 1671 H GLN A 989 41.339 28.362 20.408 1.00 0.00 H ATOM 1672 N LEU A 990 43.244 29.092 17.781 1.00 11.06 N ATOM 1673 CA LEU A 990 44.389 29.179 16.868 1.00 11.45 C ATOM 1674 C LEU A 990 44.510 27.933 15.996 1.00 11.57 C ATOM 1675 O LEU A 990 44.751 28.035 14.795 1.00 13.21 O ATOM 1676 CB LEU A 990 45.688 29.393 17.650 1.00 12.54 C ATOM 1677 CG LEU A 990 45.861 30.758 18.303 1.00 13.52 C ATOM 1678 CD1 LEU A 990 47.052 30.738 19.253 1.00 15.69 C ATOM 1679 CD2 LEU A 990 46.028 31.849 17.230 1.00 17.40 C ATOM 1680 H LEU A 990 43.403 29.123 18.808 1.00 0.00 H ATOM 1681 N VAL A 991 44.336 26.754 16.586 1.00 11.50 N ATOM 1682 CA VAL A 991 44.460 25.522 15.818 1.00 11.85 C ATOM 1683 C VAL A 991 43.234 25.299 14.922 1.00 12.92 C ATOM 1684 O VAL A 991 43.363 24.946 13.741 1.00 14.20 O ATOM 1685 CB VAL A 991 44.683 24.320 16.754 1.00 12.02 C ATOM 1686 CG1 VAL A 991 44.720 23.011 15.958 1.00 14.76 C ATOM 1687 CG2 VAL A 991 45.987 24.500 17.537 1.00 14.40 C ATOM 1688 H VAL A 991 44.110 26.711 17.600 1.00 0.00 H ATOM 1689 N ALA A 992 42.035 25.526 15.457 1.00 12.21 N ATOM 1690 CA ALA A 992 40.813 25.296 14.686 1.00 11.83 C ATOM 1691 C ALA A 992 40.682 26.235 13.480 1.00 12.37 C ATOM 1692 O ALA A 992 40.085 25.863 12.461 1.00 16.31 O ATOM 1693 CB ALA A 992 39.584 25.428 15.592 1.00 11.44 C ATOM 1694 H ALA A 992 41.967 25.871 16.436 1.00 0.00 H ATOM 1695 N SER A 993 41.224 27.441 13.603 1.00 14.26 N ATOM 1696 CA SER A 993 41.163 28.414 12.512 1.00 16.37 C ATOM 1697 C SER A 993 42.266 28.184 11.494 1.00 15.93 C ATOM 1698 O SER A 993 42.290 28.837 10.457 1.00 19.64 O ATOM 1699 CB SER A 993 41.277 29.832 13.051 1.00 14.34 C ATOM 1700 OG SER A 993 42.557 30.031 13.628 1.00 15.60 O ATOM 1701 HG SER A 993 42.621 30.956 13.975 1.00 0.00 H ATOM 1702 H SER A 993 41.700 27.699 14.491 1.00 0.00 H ATOM 1703 N GLY A 994 43.192 27.284 11.807 1.00 16.18 N ATOM 1704 CA GLY A 994 44.311 27.018 10.916 1.00 19.43 C ATOM 1705 C GLY A 994 45.435 28.032 11.048 1.00 19.77 C ATOM 1706 O GLY A 994 46.354 28.048 10.228 1.00 24.63 O ATOM 1707 H GLY A 994 43.116 26.761 12.703 1.00 0.00 H ATOM 1708 N THR A 995 45.369 28.884 12.064 1.00 15.81 N ATOM 1709 CA THR A 995 46.391 29.902 12.280 1.00 16.56 C ATOM 1710 C THR A 995 47.696 29.271 12.755 1.00 15.66 C ATOM 1711 O THR A 995 48.791 29.711 12.378 1.00 18.83 O ATOM 1712 CB THR A 995 45.897 30.943 13.293 1.00 17.60 C ATOM 1713 OG1 THR A 995 44.699 31.549 12.787 1.00 20.09 O ATOM 1714 CG2 THR A 995 46.941 32.019 13.547 1.00 18.52 C ATOM 1715 HG1 THR A 995 44.008 30.852 12.657 1.00 0.00 H ATOM 1716 H THR A 995 44.567 28.824 12.724 1.00 0.00 H ATOM 1717 N VAL A 996 47.568 28.244 13.587 1.00 15.64 N ATOM 1718 CA VAL A 996 48.710 27.514 14.107 1.00 17.57 C ATOM 1719 C VAL A 996 48.573 26.054 13.715 1.00 17.94 C ATOM 1720 O VAL A 996 47.497 25.470 13.862 1.00 19.48 O ATOM 1721 CB VAL A 996 48.812 27.639 15.641 1.00 18.75 C ATOM 1722 CG1 VAL A 996 49.719 26.560 16.225 1.00 21.98 C ATOM 1723 CG2 VAL A 996 49.289 29.037 16.019 1.00 20.22 C ATOM 1724 H VAL A 996 46.613 27.951 13.877 1.00 0.00 H ATOM 1725 N GLN A 997 49.650 25.466 13.212 1.00 18.09 N ATOM 1726 CA GLN A 997 49.652 24.042 12.943 1.00 18.24 C ATOM 1727 C GLN A 997 50.980 23.453 13.358 1.00 20.25 C ATOM 1728 O GLN A 997 51.954 24.171 13.583 1.00 22.38 O ATOM 1729 CB GLN A 997 49.375 23.756 11.467 1.00 22.51 C ATOM 1730 CG GLN A 997 50.484 24.150 10.522 1.00 31.45 C ATOM 1731 CD GLN A 997 50.151 23.821 9.076 1.00 59.79 C ATOM 1732 OE1 GLN A 997 49.148 24.288 8.538 1.00 37.53 O ATOM 1733 NE2 GLN A 997 50.985 23.002 8.446 1.00 52.22 N ATOM 1734 HE22 GLN A 997 51.821 22.631 8.940 1.00 0.00 H ATOM 1735 HE21 GLN A 997 50.802 22.732 7.459 1.00 0.00 H ATOM 1736 H GLN A 997 50.499 26.031 13.009 1.00 0.00 H ATOM 1737 N LEU A 998 51.011 22.135 13.469 1.00 21.06 N ATOM 1738 CA LEU A 998 52.249 21.431 13.702 1.00 25.32 C ATOM 1739 C LEU A 998 52.927 21.254 12.349 1.00 28.99 C ATOM 1740 O LEU A 998 52.361 20.649 11.440 1.00 34.01 O ATOM 1741 CB LEU A 998 51.973 20.093 14.383 1.00 25.49 C ATOM 1742 CG LEU A 998 53.147 19.299 14.925 1.00 32.14 C ATOM 1743 CD1 LEU A 998 53.948 20.172 15.869 1.00 37.16 C ATOM 1744 CD2 LEU A 998 52.603 18.092 15.638 1.00 31.65 C ATOM 1745 H LEU A 998 50.126 21.596 13.387 1.00 0.00 H ATOM 1746 N GLY A 999 54.125 21.810 12.203 1.00 43.50 N ATOM 1747 CA GLY A 999 54.818 21.776 10.928 1.00 45.04 C ATOM 1748 C GLY A 999 55.321 20.395 10.549 1.00 65.65 C ATOM 1749 O GLY A 999 55.451 19.514 11.401 1.00 41.87 O ATOM 1750 H GLY A 999 54.574 22.278 13.016 1.00 0.00 H ATOM 1751 N GLU A1000 55.604 20.207 9.263 1.00 59.87 N ATOM 1752 CA GLU A1000 56.146 18.944 8.773 1.00 64.33 C ATOM 1753 C GLU A1000 57.491 18.643 9.430 1.00 58.48 C ATOM 1754 O GLU A1000 57.852 17.483 9.624 1.00 68.53 O ATOM 1755 CB GLU A1000 56.284 18.975 7.258 1.00 52.71 C ATOM 1756 H GLU A1000 55.434 20.981 8.589 1.00 0.00 H ATOM 1757 N ASN A1001 58.220 19.697 9.784 1.00 73.46 N ATOM 1758 CA ASN A1001 59.493 19.551 10.481 1.00 63.60 C ATOM 1759 C ASN A1001 59.293 19.291 11.972 1.00 52.68 C ATOM 1760 O ASN A1001 60.251 19.249 12.742 1.00 55.56 O ATOM 1761 CB ASN A1001 60.363 20.794 10.271 1.00 47.55 C ATOM 1762 CG ASN A1001 59.825 22.019 10.985 1.00 68.93 C ATOM 1763 OD1 ASN A1001 58.635 22.109 11.289 1.00 57.06 O ATOM 1764 ND2 ASN A1001 60.706 22.977 11.248 1.00 51.89 N ATOM 1765 HD22 ASN A1001 61.702 22.858 10.973 1.00 0.00 H ATOM 1766 HD21 ASN A1001 60.400 23.847 11.729 1.00 0.00 H ATOM 1767 H ASN A1001 57.873 20.651 9.558 1.00 0.00 H ATOM 1768 N GLY A1002 58.036 19.124 12.372 1.00 68.01 N ATOM 1769 CA GLY A1002 57.708 18.809 13.748 1.00 63.03 C ATOM 1770 C GLY A1002 57.679 20.020 14.658 1.00 65.83 C ATOM 1771 O GLY A1002 57.399 19.893 15.847 1.00 58.96 O ATOM 1772 H GLY A1002 57.267 19.222 11.678 1.00 0.00 H ATOM 1773 N LYS A1003 57.972 21.194 14.106 1.00 68.18 N ATOM 1774 CA LYS A1003 57.959 22.429 14.883 1.00 38.55 C ATOM 1775 C LYS A1003 56.656 23.191 14.675 1.00 33.57 C ATOM 1776 O LYS A1003 55.991 23.026 13.649 1.00 30.71 O ATOM 1777 CB LYS A1003 59.149 23.318 14.513 1.00 40.28 C ATOM 1778 CG LYS A1003 60.506 22.696 14.790 1.00 49.97 C ATOM 1779 CD LYS A1003 60.640 22.284 16.245 1.00 47.37 C ATOM 1780 CE LYS A1003 62.057 21.834 16.563 1.00 62.83 C ATOM 1781 NZ LYS A1003 63.042 22.940 16.395 1.00 75.30 N ATOM 1782 HZ1 LYS A1003 63.019 23.276 15.411 1.00 0.00 H ATOM 1783 HZ2 LYS A1003 62.796 23.722 17.035 1.00 0.00 H ATOM 1784 HZ3 LYS A1003 63.995 22.591 16.622 1.00 0.00 H ATOM 1785 H LYS A1003 58.216 21.233 13.096 1.00 0.00 H ATOM 1786 N ILE A1004 56.288 24.020 15.649 1.00 28.25 N ATOM 1787 CA ILE A1004 55.084 24.836 15.537 1.00 25.93 C ATOM 1788 C ILE A1004 55.204 25.801 14.350 1.00 25.28 C ATOM 1789 O ILE A1004 56.274 26.353 14.086 1.00 29.49 O ATOM 1790 CB ILE A1004 54.815 25.618 16.848 1.00 36.52 C ATOM 1791 CG1 ILE A1004 53.333 25.950 16.991 1.00 41.00 C ATOM 1792 CG2 ILE A1004 55.696 26.849 16.973 1.00 54.37 C ATOM 1793 CD1 ILE A1004 52.593 24.913 17.768 1.00 50.29 C ATOM 1794 H ILE A1004 56.871 24.087 16.508 1.00 0.00 H ATOM 1795 N CYS A1005 54.115 25.950 13.604 1.00 23.51 N ATOM 1796 CA CYS A1005 54.070 26.853 12.471 1.00 24.92 C ATOM 1797 C CYS A1005 52.929 27.848 12.616 1.00 22.30 C ATOM 1798 O CYS A1005 51.771 27.455 12.695 1.00 21.95 O ATOM 1799 CB CYS A1005 53.912 26.058 11.167 1.00 27.56 C ATOM 1800 SG CYS A1005 53.729 27.056 9.671 1.00 42.54 S ATOM 1801 H CYS A1005 53.265 25.400 13.841 1.00 0.00 H ATOM 1802 N TRP A1006 53.261 29.133 12.676 1.00 23.11 N ATOM 1803 CA TRP A1006 52.257 30.183 12.608 1.00 22.23 C ATOM 1804 C TRP A1006 52.141 30.623 11.161 1.00 24.11 C ATOM 1805 O TRP A1006 53.083 31.162 10.591 1.00 27.24 O ATOM 1806 CB TRP A1006 52.627 31.371 13.498 1.00 26.02 C ATOM 1807 CG TRP A1006 52.422 31.143 14.963 1.00 22.12 C ATOM 1808 CD1 TRP A1006 53.165 30.343 15.779 1.00 24.42 C ATOM 1809 CD2 TRP A1006 51.430 31.758 15.793 1.00 20.90 C ATOM 1810 NE1 TRP A1006 52.683 30.405 17.069 1.00 23.99 N ATOM 1811 CE2 TRP A1006 51.621 31.273 17.102 1.00 20.40 C ATOM 1812 CE3 TRP A1006 50.399 32.674 15.554 1.00 23.86 C ATOM 1813 CZ2 TRP A1006 50.819 31.671 18.173 1.00 22.80 C ATOM 1814 CZ3 TRP A1006 49.606 33.069 16.616 1.00 22.72 C ATOM 1815 CH2 TRP A1006 49.820 32.569 17.908 1.00 23.70 C ATOM 1816 HE1 TRP A1006 53.062 29.880 17.883 1.00 0.00 H ATOM 1817 H TRP A1006 54.263 29.394 12.774 1.00 0.00 H ATOM 1818 N VAL A1007 50.993 30.370 10.549 1.00 27.46 N ATOM 1819 CA VAL A1007 50.837 30.704 9.135 1.00 62.05 C ATOM 1820 C VAL A1007 50.484 32.176 8.960 1.00 48.12 C ATOM 1821 O VAL A1007 51.308 32.976 8.513 1.00 69.13 O ATOM 1822 CB VAL A1007 49.761 29.842 8.459 1.00 54.24 C ATOM 1823 CG1 VAL A1007 49.948 28.374 8.828 1.00 46.18 C ATOM 1824 CG2 VAL A1007 48.381 30.325 8.859 1.00 49.16 C ATOM 1825 H VAL A1007 50.207 29.936 11.073 1.00 0.00 H TER 1826 VAL A1007 HETATM 1827 O HOH 1 44.026 -0.396 18.370 1.00 38.93 O HETATM 1828 O HOH 2 58.242 24.984 18.733 1.00 33.05 O HETATM 1829 O HOH 3 38.669 20.299 40.919 1.00 38.49 O HETATM 1830 O HOH 4 44.989 -5.869 22.868 1.00 46.62 O HETATM 1831 O HOH 5 45.514 21.147 12.900 1.00 50.04 O HETATM 1832 O HOH 6 40.374 -2.681 20.092 1.00 50.95 O HETATM 1833 O HOH 7 36.939 35.263 22.790 1.00 67.65 O HETATM 1834 O HOH 8 35.224 35.381 19.675 1.00 55.59 O HETATM 1835 O HOH 9 41.831 3.163 16.383 1.00 48.99 O HETATM 1836 O HOH 10 34.486 30.982 30.512 1.00 32.54 O HETATM 1837 O HOH 11 44.572 1.887 20.175 1.00 43.39 O HETATM 1838 O HOH 12 38.626 12.284 38.716 1.00 48.56 O HETATM 1839 O HOH 13 43.764 7.227 36.112 1.00 32.66 O HETATM 1840 O HOH 14 50.085 34.186 27.573 1.00 46.36 O HETATM 1841 O HOH 15 47.080 34.506 28.294 1.00 35.52 O HETATM 1842 O HOH 16 38.127 32.143 28.882 1.00 33.76 O HETATM 1843 O HOH 17 50.368 14.441 48.175 1.00 48.57 O HETATM 1844 O HOH 18 55.527 13.336 39.207 1.00 43.77 O HETATM 1845 O HOH 19 49.470 32.819 51.042 1.00 51.73 O HETATM 1846 O HOH 20 56.298 36.393 53.487 1.00 44.79 O HETATM 1847 O HOH 21 54.902 15.473 46.147 1.00 55.37 O HETATM 1848 O HOH 22 37.190 4.826 35.612 1.00 31.96 O HETATM 1849 O HOH 23 49.958 16.919 31.430 1.00 13.80 O HETATM 1850 O HOH 24 53.538 15.424 24.595 1.00 14.61 O HETATM 1851 O HOH 25 50.061 27.803 53.958 1.00 28.55 O HETATM 1852 O HOH 26 56.972 39.613 47.835 1.00 57.61 O HETATM 1853 O HOH 27 37.026 24.407 10.582 1.00 45.89 O HETATM 1854 O HOH 28 35.010 19.385 9.963 1.00 21.48 O HETATM 1855 O HOH 29 60.615 14.187 23.708 1.00 55.56 O HETATM 1856 O HOH 30 58.621 13.741 28.772 1.00 40.00 O HETATM 1857 O HOH 31 35.550 15.766 10.410 1.00 23.28 O HETATM 1858 O HOH 32 40.021 16.052 10.329 1.00 36.98 O HETATM 1859 O HOH 33 56.536 26.422 20.374 1.00 17.14 O HETATM 1860 O HOH 34 39.615 17.728 37.550 1.00 20.66 O HETATM 1861 O HOH 35 52.314 24.889 38.920 1.00 13.59 O HETATM 1862 O HOH 36 37.146 28.637 19.338 1.00 19.20 O HETATM 1863 O HOH 37 24.412 15.387 27.201 1.00 45.90 O HETATM 1864 O HOH 38 45.452 5.419 27.551 1.00 31.65 O HETATM 1865 O HOH 39 54.094 27.103 50.390 1.00 29.35 O HETATM 1866 O HOH 40 45.809 23.915 12.475 1.00 28.67 O HETATM 1867 O HOH 41 38.147 20.206 32.151 1.00 13.60 O HETATM 1868 O HOH 42 27.681 23.835 31.499 1.00 29.42 O HETATM 1869 O HOH 43 44.019 31.185 44.727 1.00 13.68 O HETATM 1870 O HOH 44 29.678 31.968 25.190 1.00 42.41 O HETATM 1871 O HOH 45 34.858 -1.119 23.984 1.00 41.65 O HETATM 1872 O HOH 46 48.742 35.349 34.851 1.00 26.66 O HETATM 1873 O HOH 47 44.697 16.334 30.186 1.00 14.71 O HETATM 1874 O HOH 48 58.004 26.568 48.532 1.00 36.02 O HETATM 1875 O HOH 49 45.172 25.788 51.347 1.00 15.08 O HETATM 1876 O HOH 50 40.940 33.217 25.834 1.00 21.56 O HETATM 1877 O HOH 51 44.848 18.589 31.602 1.00 13.61 O HETATM 1878 O HOH 52 45.966 24.619 38.084 1.00 13.33 O HETATM 1879 O HOH 53 34.568 32.671 26.507 1.00 31.96 O HETATM 1880 O HOH 54 57.009 27.356 44.867 1.00 18.50 O HETATM 1881 O HOH 55 48.589 5.205 14.359 1.00 43.16 O HETATM 1882 O HOH 56 34.813 18.165 41.233 1.00 38.90 O HETATM 1883 O HOH 57 38.020 28.288 21.851 1.00 15.12 O HETATM 1884 O HOH 58 28.345 28.681 27.635 1.00 51.53 O HETATM 1885 O HOH 59 39.963 33.024 33.740 1.00 19.54 O HETATM 1886 O HOH 60 60.207 18.554 24.248 1.00 36.67 O HETATM 1887 O HOH 61 31.070 4.450 18.681 1.00 38.99 O HETATM 1888 O HOH 62 37.441 29.151 10.681 1.00 35.42 O HETATM 1889 O HOH 63 45.656 21.442 38.813 1.00 24.87 O HETATM 1890 O HOH 64 59.760 26.785 32.301 1.00 12.92 O HETATM 1891 O HOH 65 52.628 6.237 25.387 1.00 39.62 O HETATM 1892 O HOH 66 41.487 1.068 16.734 1.00 54.59 O HETATM 1893 O HOH 67 27.248 16.301 18.744 1.00 22.46 O HETATM 1894 O HOH 68 48.806 13.675 18.971 1.00 17.52 O HETATM 1895 O HOH 69 46.739 25.626 8.516 1.00 50.40 O HETATM 1896 O HOH 70 38.650 -1.422 22.249 1.00 34.65 O HETATM 1897 O HOH 71 48.534 20.816 13.095 1.00 21.82 O HETATM 1898 O HOH 72 41.808 23.870 42.083 1.00 29.01 O HETATM 1899 O HOH 73 59.257 16.169 36.912 1.00 37.71 O HETATM 1900 O HOH 74 61.926 18.619 31.994 1.00 59.05 O HETATM 1901 O HOH 75 55.233 20.057 47.568 1.00 19.27 O HETATM 1902 O HOH 76 34.535 9.672 10.840 1.00 60.79 O HETATM 1903 O HOH 77 33.963 2.897 22.146 1.00 23.44 O HETATM 1904 O HOH 78 47.022 13.493 12.376 1.00 28.53 O HETATM 1905 O HOH 79 29.719 12.014 12.447 1.00 48.14 O HETATM 1906 O HOH 80 45.724 33.736 37.438 1.00 20.47 O HETATM 1907 O HOH 81 58.302 19.125 21.032 1.00 41.17 O HETATM 1908 O HOH 82 35.666 27.427 33.942 1.00 23.56 O HETATM 1909 O HOH 83 48.085 16.854 11.386 1.00 56.18 O HETATM 1910 O HOH 84 56.603 33.121 46.465 1.00 18.24 O HETATM 1911 O HOH 85 36.388 33.256 12.963 1.00 21.33 O HETATM 1912 O HOH 86 35.930 30.953 28.009 1.00 19.51 O HETATM 1913 O HOH 87 39.029 2.218 17.073 1.00 26.80 O HETATM 1914 O HOH 88 40.104 28.998 39.728 1.00 20.72 O HETATM 1915 O HOH 89 55.445 35.912 43.846 1.00 22.09 O HETATM 1916 O HOH 90 56.553 36.023 41.393 1.00 19.82 O HETATM 1917 O HOH 91 37.511 30.022 43.073 1.00 26.70 O HETATM 1918 O HOH 92 58.431 27.639 15.326 1.00 57.41 O HETATM 1919 O HOH 93 58.206 27.498 36.939 1.00 14.02 O HETATM 1920 O HOH 94 32.915 4.846 14.839 1.00 37.53 O HETATM 1921 O HOH 95 37.205 11.884 12.483 1.00 36.47 O HETATM 1922 O HOH 96 52.081 16.364 18.358 1.00 21.74 O HETATM 1923 O HOH 97 59.605 19.909 51.822 1.00 55.63 O HETATM 1924 O HOH 98 38.673 17.055 33.876 1.00 16.01 O HETATM 1925 O HOH 99 38.041 31.251 34.770 1.00 22.06 O HETATM 1926 O HOH 100 56.002 26.042 36.165 1.00 10.55 O HETATM 1927 O HOH 101 39.374 26.624 44.015 1.00 16.21 O HETATM 1928 O HOH 102 54.438 7.761 26.516 1.00 33.52 O HETATM 1929 O HOH 103 32.232 33.751 26.713 1.00 50.15 O HETATM 1930 O HOH 104 48.271 31.786 49.370 1.00 29.39 O HETATM 1931 O HOH 105 41.325 15.833 36.496 1.00 20.63 O HETATM 1932 O HOH 106 30.711 24.193 21.051 1.00 16.75 O HETATM 1933 O HOH 107 22.102 17.197 27.649 1.00 53.16 O HETATM 1934 O HOH 108 60.413 18.377 40.269 1.00 23.25 O HETATM 1935 O HOH 109 57.796 30.606 46.257 1.00 16.23 O HETATM 1936 O HOH 110 30.528 29.749 32.567 1.00 50.27 O HETATM 1937 O HOH 111 28.393 13.211 36.716 1.00 48.14 O HETATM 1938 O HOH 112 46.986 2.611 19.798 1.00 34.88 O HETATM 1939 O HOH 113 29.687 25.156 34.806 1.00 42.43 O HETATM 1940 O HOH 114 42.450 36.234 35.548 1.00 46.25 O HETATM 1941 O HOH 115 27.495 16.156 15.992 1.00 33.92 O HETATM 1942 O HOH 116 55.778 29.544 50.805 1.00 44.39 O HETATM 1943 O HOH 117 50.230 18.087 36.875 1.00 18.85 O HETATM 1944 O HOH 118 28.175 18.961 39.321 1.00 46.08 O HETATM 1945 O HOH 119 57.859 21.094 24.607 1.00 29.47 O HETATM 1946 O HOH 120 40.845 33.362 15.019 1.00 47.18 O HETATM 1947 O HOH 121 56.752 20.892 49.576 1.00 26.63 O HETATM 1948 O HOH 122 39.995 25.920 29.273 1.00 14.22 O HETATM 1949 O HOH 123 36.037 31.952 20.638 1.00 37.42 O HETATM 1950 O HOH 124 63.595 20.549 42.802 1.00 57.67 O HETATM 1951 O HOH 125 43.097 32.664 19.797 1.00 19.47 O HETATM 1952 O HOH 126 57.488 12.084 21.609 1.00 34.82 O HETATM 1953 O HOH 127 30.272 4.708 23.067 1.00 41.84 O HETATM 1954 O HOH 128 48.689 16.339 18.370 1.00 16.57 O HETATM 1955 O HOH 129 57.333 24.660 11.095 1.00 52.01 O HETATM 1956 O HOH 130 53.517 29.728 19.769 1.00 16.14 O HETATM 1957 O HOH 131 47.748 29.976 51.374 1.00 46.44 O HETATM 1958 O HOH 132 51.497 35.620 50.679 1.00 46.61 O HETATM 1959 O HOH 133 57.805 13.827 35.950 1.00 58.86 O HETATM 1960 O HOH 134 40.430 10.709 11.683 1.00 44.48 O HETATM 1961 O HOH 135 37.641 -0.092 18.032 1.00 49.07 O HETATM 1962 O HOH 136 51.809 9.582 37.995 1.00 53.04 O HETATM 1963 O HOH 137 58.349 35.155 47.102 1.00 15.53 O HETATM 1964 O HOH 138 32.323 1.323 34.158 1.00 55.79 O HETATM 1965 O HOH 139 40.863 19.544 39.576 1.00 55.15 O HETATM 1966 O HOH 140 54.247 17.971 19.147 1.00 18.52 O HETATM 1967 O HOH 141 43.666 16.982 37.791 1.00 35.63 O HETATM 1968 O HOH 142 47.800 -6.608 27.377 1.00 50.28 O HETATM 1969 O HOH 143 46.399 10.163 10.852 1.00 51.58 O HETATM 1970 O HOH 144 57.779 23.282 22.145 1.00 33.04 O HETATM 1971 O HOH 145 42.817 32.446 15.219 1.00 59.12 O HETATM 1972 O HOH 146 44.759 4.137 29.937 1.00 26.97 O HETATM 1973 O HOH 147 29.227 21.097 37.712 1.00 30.15 O HETATM 1974 O HOH 148 52.421 2.761 23.030 1.00 49.45 O HETATM 1975 O HOH 149 45.752 35.392 43.833 1.00 32.25 O HETATM 1976 O HOH 150 55.272 11.782 19.035 1.00 31.21 O HETATM 1977 O HOH 151 35.329 0.087 37.400 1.00 50.09 O HETATM 1978 O HOH 152 42.115 9.141 35.286 1.00 33.26 O HETATM 1979 O HOH 153 40.269 13.689 11.954 1.00 34.61 O HETATM 1980 O HOH 154 28.373 8.879 34.900 1.00 39.94 O HETATM 1981 O HOH 155 57.182 14.746 42.745 1.00 49.52 O HETATM 1982 O HOH 156 58.104 20.352 27.352 1.00 22.73 O HETATM 1983 O HOH 157 60.499 19.033 26.927 1.00 26.47 O HETATM 1984 O HOH 158 55.984 30.218 12.466 1.00 39.85 O HETATM 1985 O HOH 159 34.729 8.956 39.557 1.00 53.69 O HETATM 1986 O HOH 160 32.551 36.134 18.646 1.00 19.12 O HETATM 1987 O HOH 161 60.165 19.206 42.756 1.00 28.74 O HETATM 1988 O HOH 162 22.793 26.315 31.443 1.00 63.29 O HETATM 1989 O HOH 163 56.634 9.764 28.330 1.00 39.94 O HETATM 1990 O HOH 164 36.413 37.697 17.335 1.00 48.10 O HETATM 1991 O HOH 165 51.301 14.383 11.202 1.00 55.73 O HETATM 1992 O HOH 166 59.905 23.867 49.390 1.00 44.66 O HETATM 1993 O HOH 167 45.205 33.155 46.166 1.00 22.35 O HETATM 1994 O HOH 168 34.399 5.258 36.721 1.00 41.32 O HETATM 1995 O HOH 169 52.133 25.825 52.303 1.00 30.22 O HETATM 1996 O HOH 170 61.253 20.038 36.383 1.00 17.56 O HETATM 1997 O HOH 171 41.112 25.449 45.837 1.00 13.56 O HETATM 1998 O HOH 172 61.127 22.524 19.614 1.00 40.86 O HETATM 1999 O HOH 173 57.080 33.258 53.961 1.00 40.89 O HETATM 2000 O HOH 174 54.036 36.263 48.114 1.00 24.89 O HETATM 2001 O HOH 175 53.841 11.962 36.903 1.00 32.67 O HETATM 2002 O HOH 176 59.918 17.702 34.927 1.00 26.41 O HETATM 2003 O HOH 177 40.811 32.346 47.193 1.00 46.06 O HETATM 2004 O HOH 178 42.142 11.160 37.370 1.00 36.21 O HETATM 2005 O HOH 179 45.142 34.489 34.750 1.00 24.11 O HETATM 2006 O HOH 180 38.145 18.434 8.332 1.00 42.78 O HETATM 2007 O HOH 181 24.842 12.027 26.024 1.00 38.19 O HETATM 2008 O HOH 182 54.937 14.137 17.409 1.00 48.78 O HETATM 2009 O HOH 183 34.295 15.624 39.765 1.00 32.95 O HETATM 2010 O HOH 184 26.213 9.661 16.836 1.00 49.69 O HETATM 2011 O HOH 185 28.373 6.484 28.255 1.00 37.25 O HETATM 2012 O HOH 186 38.338 4.003 15.062 1.00 31.38 O HETATM 2013 O HOH 187 49.328 19.371 39.636 1.00 32.23 O HETATM 2014 O HOH 188 27.288 26.287 29.583 1.00 46.21 O HETATM 2015 O HOH 189 26.383 5.061 19.476 1.00 54.38 O HETATM 2016 O HOH 190 38.521 -4.098 23.441 1.00 56.55 O HETATM 2017 O HOH 191 23.823 18.234 34.617 1.00 53.06 O HETATM 2018 O HOH 192 37.338 33.550 17.358 1.00 50.69 O HETATM 2019 O HOH 193 46.860 2.361 35.324 1.00 64.76 O HETATM 2020 O HOH 194 40.253 -5.019 26.395 1.00 34.73 O HETATM 2021 O HOH 195 49.071 -1.070 28.675 1.00 40.63 O HETATM 2022 O HOH 196 51.958 32.329 24.951 1.00 12.66 O HETATM 2023 O HOH 197 53.754 9.669 34.875 1.00 61.81 O HETATM 2024 O HOH 198 27.588 22.356 17.726 1.00 46.68 O HETATM 2025 O HOH 199 49.321 11.428 11.319 1.00 59.76 O HETATM 2026 O HOH 200 29.108 14.770 39.927 1.00 59.91 O HETATM 2027 O HOH 201 52.171 36.729 36.046 1.00 42.52 O HETATM 2028 O HOH 202 43.468 20.565 40.311 1.00 37.48 O HETATM 2029 O HOH 203 51.452 36.616 32.820 1.00 43.76 O HETATM 2030 O HOH 204 41.751 23.217 11.623 1.00 41.02 O HETATM 2031 O HOH 205 38.303 5.655 38.196 1.00 52.62 O HETATM 2032 O HOH 206 35.206 26.615 11.258 1.00 25.06 O HETATM 2033 O HOH 207 39.033 27.193 9.755 1.00 56.55 O HETATM 2034 O HOH 208 55.212 29.361 48.563 1.00 44.97 O HETATM 2035 O HOH 209 46.711 18.901 38.644 1.00 52.48 O HETATM 2036 O HOH 210 49.850 18.928 42.122 1.00 15.81 O HETATM 2037 O HOH 211 49.061 -1.094 25.588 1.00 41.21 O HETATM 2038 O HOH 212 49.590 33.168 11.739 1.00 55.23 O HETATM 2039 O HOH 213 38.966 32.657 12.561 1.00 42.54 O HETATM 2040 O HOH 214 48.270 34.198 9.272 1.00 55.99 O HETATM 2041 O HOH 215 38.104 24.353 39.795 1.00 44.52 O HETATM 2042 O HOH 216 36.710 13.165 9.629 1.00 51.98 O HETATM 2043 O HOH 217 56.326 17.073 17.547 1.00 54.81 O HETATM 2044 O HOH 218 46.890 4.153 37.319 1.00 64.06 O HETATM 2045 O HOH 219 57.359 23.302 50.299 1.00 36.98 O HETATM 2046 O HOH 220 63.392 21.185 32.433 1.00 41.72 O HETATM 2047 O HOH 221 39.642 32.546 23.111 1.00 44.98 O HETATM 2048 O HOH 222 39.721 33.245 45.059 1.00 48.93 O HETATM 2049 O HOH 223 56.130 25.384 49.949 1.00 29.82 O HETATM 2050 O HOH 224 42.543 11.684 12.820 1.00 42.48 O HETATM 2051 O HOH 225 43.142 32.691 42.469 1.00 19.59 O HETATM 2052 O HOH 226 54.244 35.970 37.265 1.00 19.78 O HETATM 2053 O HOH 227 45.398 33.642 26.027 1.00 30.23 O HETATM 2054 O HOH 228 49.086 19.134 11.037 1.00 47.53 O HETATM 2055 O HOH 229 33.593 17.031 8.793 1.00 43.51 O HETATM 2056 O HOH 230 43.690 3.767 18.653 1.00 46.14 O HETATM 2057 O HOH 231 26.960 21.668 35.949 1.00 37.82 O HETATM 2058 O HOH 232 36.144 30.211 32.717 1.00 38.96 O HETATM 2059 O HOH 233 39.985 31.703 10.093 1.00 59.55 O HETATM 2060 O HOH 234 47.546 28.829 53.915 1.00 63.07 O HETATM 2061 O HOH 235 64.126 20.931 40.375 1.00 45.18 O HETATM 2062 O HOH 236 28.952 28.028 33.861 1.00 62.03 O HETATM 2063 O HOH 237 48.590 15.153 42.649 1.00 52.66 O HETATM 2064 O HOH 238 34.330 24.413 37.956 1.00 40.54 O HETATM 2065 O HOH 239 36.776 -0.646 20.327 1.00 36.05 O HETATM 2066 O HOH 240 46.195 3.538 15.126 1.00 50.08 O HETATM 2067 O HOH 241 41.165 13.557 38.040 1.00 36.64 O HETATM 2068 O HOH 242 29.333 38.538 20.462 1.00 49.47 O HETATM 2069 O HOH 243 45.646 23.244 10.088 1.00 50.85 O HETATM 2070 O HOH 244 43.894 13.287 39.419 1.00 53.45 O HETATM 2071 O HOH 245 31.035 38.502 18.033 1.00 32.11 O HETATM 2072 O HOH 246 38.223 27.497 38.221 1.00 33.95 O HETATM 2073 O HOH 247 58.658 14.736 21.364 1.00 53.59 O HETATM 2074 O HOH 248 57.798 17.028 44.364 1.00 43.10 O HETATM 2075 O HOH 249 56.806 28.184 47.371 1.00 30.02 O HETATM 2076 O HOH 250 56.191 29.024 19.674 1.00 18.60 O HETATM 2077 O HOH 251 58.093 36.705 44.829 1.00 18.22 O HETATM 2078 O HOH 252 58.005 39.375 45.405 1.00 44.23 O HETATM 2079 O HOH 253 40.397 32.874 42.366 1.00 22.54 O HETATM 2080 O HOH 254 45.791 32.789 48.777 1.00 39.80 O HETATM 2081 O HOH 255 39.992 35.344 35.033 1.00 35.25 O HETATM 2082 O HOH 256 56.352 17.213 47.589 1.00 45.21 O HETATM 2083 O HOH 257 30.758 16.237 41.786 1.00 64.78 O HETATM 2084 O HOH 258 28.551 25.097 19.039 1.00 25.32 O HETATM 2085 O HOH 259 49.180 31.916 54.103 1.00 60.83 O HETATM 2086 O HOH 260 38.784 31.030 40.973 1.00 21.44 O HETATM 2087 O HOH 261 40.057 26.092 41.350 1.00 21.30 O HETATM 2088 O HOH 262 62.293 19.825 38.810 1.00 28.13 O HETATM 2089 O HOH 263 38.528 33.830 31.466 1.00 45.15 O HETATM 2090 O HOH 264 30.584 3.511 16.288 1.00 33.21 O HETATM 2091 O HOH 265 60.574 26.719 49.702 1.00 42.95 O HETATM 2092 O HOH 266 31.419 3.320 21.106 1.00 31.87 O HETATM 2093 O HOH 267 51.134 29.339 55.757 1.00 43.52 O HETATM 2094 O HOH 268 40.336 21.044 11.612 1.00 40.76 O HETATM 2095 O HOH 269 48.045 34.973 37.700 1.00 26.69 O HETATM 2096 O HOH 270 43.005 17.998 39.927 1.00 51.04 O HETATM 2097 O HOH 271 43.906 35.312 42.007 1.00 27.81 O HETATM 2098 O HOH 272 31.239 26.491 35.945 1.00 42.93 O HETATM 2099 O HOH 273 42.826 33.476 17.237 1.00 32.35 O HETATM 2100 O HOH 274 33.763 25.944 35.962 1.00 37.10 O HETATM 2101 O HOH 275 35.548 16.857 43.425 1.00 53.68 O HETATM 2102 O HOH 276 61.640 16.477 33.346 1.00 43.68 O HETATM 2103 O HOH 277 40.772 33.515 21.112 1.00 33.16 O HETATM 2104 O HOH 278 34.561 0.203 21.621 1.00 26.81 O HETATM 2105 O HOH 279 36.631 31.595 37.048 1.00 46.36 O HETATM 2106 O HOH 280 45.283 34.281 20.652 1.00 44.26 O HETATM 2107 O HOH 281 55.183 37.360 39.709 1.00 32.03 O HETATM 2108 O HOH 282 53.751 37.804 33.665 1.00 57.40 O HETATM 2109 O HOH 283 54.173 26.869 53.426 1.00 37.73 O HETATM 2110 O HOH 284 44.674 35.660 39.186 1.00 44.08 O HETATM 2111 O HOH 285 36.357 33.065 10.111 1.00 37.16 O HETATM 2112 O HOH 286 54.455 10.825 32.731 1.00 55.54 O HETATM 2113 O HOH 287 59.787 13.744 33.644 1.00 61.24 O HETATM 2114 O HOH 288 36.152 3.500 13.423 1.00 42.35 O HETATM 2115 O HOH 289 44.950 35.233 16.100 1.00 49.28 O HETATM 2116 O HOH 290 24.772 14.783 18.806 1.00 46.76 O HETATM 2117 O HOH 291 48.070 36.948 39.524 1.00 40.75 O HETATM 2118 O HOH 292 55.669 8.852 31.036 1.00 48.98 O HETATM 2119 O HOH 293 36.270 30.709 8.509 1.00 40.49 O HETATM 2120 O HOH 294 53.546 39.170 41.113 1.00 49.15 O HETATM 2121 O HOH 295 58.619 39.881 42.233 1.00 49.16 O HETATM 2122 O HOH 296 30.748 0.879 15.565 1.00 32.36 O HETATM 2123 O HOH 297 56.545 37.478 36.449 1.00 14.92 O HETATM 2124 O HOH 298 32.268 -1.003 20.556 1.00 32.53 O HETATM 2125 O HOH 299 36.938 32.419 39.510 1.00 35.58 O HETATM 2126 O HOH 300 39.776 35.486 41.491 1.00 50.19 O HETATM 2127 N1 UNN A 301 49.818 11.011 26.643 1.00 -0.21 N HETATM 2128 C2 UNN A 301 50.870 11.169 25.856 1.00 0.20 C HETATM 2129 N3 UNN A 301 51.504 12.352 25.739 1.00 -0.26 N HETATM 2130 C4 UNN A 301 51.097 13.449 26.403 1.00 0.22 C HETATM 2131 C8 UNN A 301 49.958 13.329 27.262 1.00 0.16 C HETATM 2132 C7 UNN A 301 49.207 14.182 28.126 1.00 0.04 C HETATM 2133 C6 UNN A 301 48.193 13.362 28.680 1.00 0.14 C HETATM 2134 N5 UNN A 301 48.307 12.117 28.198 1.00 -0.16 N HETATM 2135 C9 UNN A 301 49.332 12.056 27.351 1.00 0.27 C HETATM 2136 H3 UNN A 301 47.694 11.327 28.445 1.00 0.26 H HETATM 2137 C29 UNN A 301 47.119 13.774 29.720 1.00 0.05 C HETATM 2138 C30 UNN A 301 47.541 13.097 31.085 1.00 -0.02 C HETATM 2139 C31 UNN A 301 49.006 13.415 31.418 1.00 -0.00 C HETATM 2140 C16 UNN A 301 49.634 12.609 32.518 1.00 0.02 C HETATM 2141 C12 UNN A 301 49.281 11.371 32.968 1.00 -0.06 C HETATM 2142 C13 UNN A 301 50.099 10.874 34.016 1.00 0.02 C HETATM 2143 C14 UNN A 301 51.113 11.687 34.421 1.00 0.01 C HETATM 2144 S15 UNN A 301 50.984 13.076 33.441 1.00 -0.03 S HETATM 2145 H8 UNN A 301 51.847 11.492 35.202 1.00 0.07 H HETATM 2146 C17 UNN A 301 49.883 9.587 34.624 1.00 0.19 C HETATM 2147 O18 UNN A 301 50.756 9.076 35.360 1.00 -0.39 O HETATM 2148 N19 UNN A 301 48.657 8.876 34.383 1.00 -0.27 N HETATM 2149 C20 UNN A 301 48.434 7.589 34.981 1.00 0.10 C HETATM 2150 C21 UNN A 301 47.198 7.606 35.803 1.00 -0.01 C HETATM 2151 C22 UNN A 301 47.196 8.744 36.814 1.00 0.00 C HETATM 2152 C23 UNN A 301 45.893 8.775 37.651 1.00 0.04 C HETATM 2153 O24 UNN A 301 45.381 7.677 38.073 1.00 -0.57 O HETATM 2154 O25 UNN A 301 45.311 9.916 37.923 1.00 -0.57 O HETATM 2155 H13 UNN A 301 47.294 9.698 36.275 1.00 0.04 H HETATM 2156 H14 UNN A 301 48.051 8.617 37.494 1.00 0.04 H HETATM 2157 H11 UNN A 301 47.119 6.651 36.344 1.00 0.03 H HETATM 2158 H12 UNN A 301 46.331 7.723 35.136 1.00 0.03 H HETATM 2159 C26 UNN A 301 48.272 6.532 33.883 1.00 0.06 C HETATM 2160 O27 UNN A 301 48.564 5.292 34.148 1.00 -0.57 O HETATM 2161 O28 UNN A 301 47.848 6.872 32.719 1.00 -0.57 O HETATM 2162 H10 UNN A 301 49.294 7.332 35.617 1.00 0.07 H HETATM 2163 H9 UNN A 301 47.955 9.280 33.796 1.00 0.19 H HETATM 2164 H7 UNN A 301 48.442 10.811 32.558 1.00 0.03 H HETATM 2165 H19 UNN A 301 49.599 13.254 30.505 1.00 0.05 H HETATM 2166 H20 UNN A 301 49.060 14.475 31.708 1.00 0.05 H HETATM 2167 H17 UNN A 301 47.418 12.007 31.001 1.00 0.03 H HETATM 2168 H18 UNN A 301 46.897 13.477 31.891 1.00 0.03 H HETATM 2169 H15 UNN A 301 46.128 13.414 29.407 1.00 0.07 H HETATM 2170 H16 UNN A 301 47.094 14.868 29.829 1.00 0.07 H HETATM 2171 H4 UNN A 301 49.378 15.240 28.319 1.00 0.07 H HETATM 2172 O10 UNN A 301 51.699 14.517 26.272 1.00 -0.38 O HETATM 2173 H2 UNN A 301 52.302 12.417 25.140 1.00 0.18 H HETATM 2174 N11 UNN A 301 51.353 10.070 25.137 1.00 -0.33 N HETATM 2175 H5 UNN A 301 50.882 9.157 25.213 1.00 0.18 H HETATM 2176 H6 UNN A 301 52.180 10.174 24.531 1.00 0.18 H HETATM 2177 H1 UNN A 301 49.367 10.088 26.717 1.00 0.24 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 2127 2128 2135 2177 CONECT 2128 2127 2129 2174 CONECT 2129 2128 2130 2173 CONECT 2130 2129 2131 2172 CONECT 2131 2130 2132 2135 CONECT 2132 2131 2133 2171 CONECT 2133 2132 2134 2137 CONECT 2134 2133 2135 2136 CONECT 2135 2127 2131 2134 CONECT 2136 2134 CONECT 2137 2133 2138 2169 2170 CONECT 2138 2137 2139 2167 2168 CONECT 2139 2138 2140 2165 2166 CONECT 2140 2139 2141 2144 CONECT 2141 2140 2142 2164 CONECT 2142 2141 2143 2146 CONECT 2143 2142 2144 2145 CONECT 2144 2140 2143 CONECT 2145 2143 CONECT 2146 2142 2147 2148 CONECT 2147 2146 CONECT 2148 2146 2149 2163 CONECT 2149 2148 2150 2159 2162 CONECT 2150 2149 2151 2157 2158 CONECT 2151 2150 2152 2155 2156 CONECT 2152 2151 2153 2154 CONECT 2153 2152 CONECT 2154 2152 CONECT 2155 2151 CONECT 2156 2151 CONECT 2157 2150 CONECT 2158 2150 CONECT 2159 2149 2160 2161 CONECT 2160 2159 CONECT 2161 2159 CONECT 2162 2149 CONECT 2163 2148 CONECT 2164 2141 CONECT 2165 2139 CONECT 2166 2139 CONECT 2167 2138 CONECT 2168 2138 CONECT 2169 2137 CONECT 2170 2137 CONECT 2171 2132 CONECT 2172 2130 CONECT 2173 2129 CONECT 2174 2128 2175 2176 CONECT 2175 2174 CONECT 2176 2174 CONECT 2177 2127 MASTER 0 0 0 0 0 0 0 0 2176 1 55 16 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4zz2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human glycinamide ribonucleotide formyltransferase (GARFTase)
Ligand Name
3YG
EC.Number
E.C.2.1.2.2
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Ki=9.1nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6938-6959
Ligand Properties
Formula
C
1
9
H
2
2
N
5
O
6
S
Molecular Weight
448.473
Exact Mass
448.129
No. of atoms
53
No. of bonds
55
Polar Surface Area
220.75
LOGP Value
3.94 (
Computed with XLOGP3
)
1.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1csc(c1)CCCc1cc2c([nH]1)[nH+]c([nH]c2=O)N
InChI String
InChI=1S/C19H21N5O6S/c20-19-23-15-12(17(28)24-19)7-10(21-15)2-1-3-11-6-9(8-31-11)16(27)22-13(18(29)30)4-5-14(25)26/h6-8,13H,1-5H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/p+1/t13-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22102
Entrez Gene ID
NCBI Entrez Gene ID:
2618
ASD
Information of known allosteric effects of PDB entries
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