Browse entries in the PDBbind-CN Database
HEADER 4X6J_COMPLEX COMPND 4X6J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 215 ALA PRO ASP SER VAL ASP TYR ARG LYS LYS GLY TYR VAL SEQRES 2 A 215 THR PRO VAL LYS ASN GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 A 215 ALA PHE SER SER VAL GLY ALA LEU GLU GLY GLN LEU LYS SEQRES 4 A 215 LYS LYS THR GLY LYS LEU LEU ASN LEU SER PRO GLN ASN SEQRES 5 A 215 LEU VAL ASP CYS VAL SER GLU ASN ASP GLY CYS GLY GLY SEQRES 6 A 215 GLY TYR MET THR ASN ALA PHE GLN TYR VAL GLN LYS ASN SEQRES 7 A 215 ARG GLY ILE ASP SER GLU ASP ALA TYR PRO TYR VAL GLY SEQRES 8 A 215 GLN GLU GLU SER CYS MET TYR ASN PRO THR GLY LYS ALA SEQRES 9 A 215 ALA LYS CYS ARG GLY TYR ARG GLU ILE PRO GLU GLY ASN SEQRES 10 A 215 GLU LYS ALA LEU LYS ARG ALA VAL ALA ARG VAL GLY PRO SEQRES 11 A 215 VAL SER VAL ALA ILE ASP ALA SER LEU THR SER PHE GLN SEQRES 12 A 215 PHE TYR SER LYS GLY VAL TYR TYR ASP GLU SER CYS ASN SEQRES 13 A 215 SER ASP ASN LEU ASN HIS ALA VAL LEU ALA VAL GLY TYR SEQRES 14 A 215 GLY ILE GLN LYS GLY ASN LYS HIS TRP ILE ILE LYS ASN SEQRES 15 A 215 SER TRP GLY GLU ASN TRP GLY ASN LYS GLY TYR ILE LEU SEQRES 16 A 215 MET ALA ARG ASN LYS ASN ASN ALA CYS GLY ILE ALA ASN SEQRES 17 A 215 LEU ALA SER PHE PRO LYS MET HET K A 1 1 HET UNN A 447 44 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 56 CYS A 96 SSBOND 3 CYS A 155 CYS A 204 ATOM 1 N ALA A 1 67.053 -5.132 15.867 1.00 46.03 N ATOM 2 CA ALA A 1 65.891 -4.914 14.944 1.00 40.28 C ATOM 3 C ALA A 1 66.267 -5.320 13.534 1.00 35.66 C ATOM 4 O ALA A 1 67.442 -5.199 13.138 1.00 35.00 O ATOM 5 CB ALA A 1 65.450 -3.453 14.993 1.00 40.38 C ATOM 6 HN3 ALA A 1 67.860 -4.558 15.548 1.00 0.00 H ATOM 7 HN2 ALA A 1 67.317 -6.138 15.859 1.00 0.00 H ATOM 8 HN1 ALA A 1 66.785 -4.851 16.832 1.00 0.00 H ATOM 9 N PRO A 2 65.290 -5.817 12.758 1.00 33.34 N ATOM 10 CA PRO A 2 65.528 -6.134 11.350 1.00 31.91 C ATOM 11 C PRO A 2 66.052 -4.977 10.479 1.00 30.12 C ATOM 12 O PRO A 2 65.880 -3.785 10.795 1.00 27.69 O ATOM 13 CB PRO A 2 64.152 -6.545 10.819 1.00 33.65 C ATOM 14 CG PRO A 2 63.293 -6.840 12.020 1.00 33.83 C ATOM 15 CD PRO A 2 63.928 -6.182 13.213 1.00 34.74 C ATOM 16 N ASP A 3 66.654 -5.339 9.359 1.00 26.72 N ATOM 17 CA ASP A 3 67.218 -4.336 8.473 1.00 26.61 C ATOM 18 C ASP A 3 66.135 -3.527 7.810 1.00 25.95 C ATOM 19 O ASP A 3 66.320 -2.337 7.605 1.00 26.29 O ATOM 20 CB ASP A 3 68.068 -4.999 7.401 1.00 29.42 C ATOM 21 CG ASP A 3 69.390 -5.550 7.952 1.00 29.31 C ATOM 22 OD1 ASP A 3 69.781 -5.250 9.092 1.00 30.50 O ATOM 23 OD2 ASP A 3 70.045 -6.269 7.193 1.00 37.99 O ATOM 24 H ASP A 3 66.724 -6.347 9.111 1.00 0.00 H ATOM 25 N SER A 4 65.027 -4.196 7.482 1.00 26.32 N ATOM 26 CA SER A 4 63.869 -3.520 6.876 1.00 26.44 C ATOM 27 C SER A 4 62.535 -4.095 7.325 1.00 27.93 C ATOM 28 O SER A 4 62.396 -5.311 7.621 1.00 26.43 O ATOM 29 CB SER A 4 63.970 -3.527 5.359 1.00 25.95 C ATOM 30 OG SER A 4 63.920 -4.838 4.860 1.00 27.55 O ATOM 31 HG SER A 4 63.063 -5.258 5.125 1.00 0.00 H ATOM 32 H SER A 4 64.981 -5.220 7.659 1.00 0.00 H ATOM 33 N VAL A 5 61.540 -3.206 7.430 1.00 24.74 N ATOM 34 CA VAL A 5 60.181 -3.654 7.742 1.00 22.48 C ATOM 35 C VAL A 5 59.148 -2.695 7.148 1.00 19.53 C ATOM 36 O VAL A 5 59.391 -1.495 7.001 1.00 17.61 O ATOM 37 CB VAL A 5 59.936 -3.828 9.255 1.00 27.34 C ATOM 38 CG1 VAL A 5 59.791 -2.504 9.952 1.00 25.77 C ATOM 39 CG2 VAL A 5 58.671 -4.653 9.513 1.00 28.85 C ATOM 40 H VAL A 5 61.733 -2.194 7.290 1.00 0.00 H ATOM 41 N ASP A 6 58.061 -3.278 6.711 1.00 18.39 N ATOM 42 CA ASP A 6 57.021 -2.545 5.972 1.00 16.69 C ATOM 43 C ASP A 6 55.679 -3.102 6.482 1.00 15.59 C ATOM 44 O ASP A 6 55.223 -4.124 6.034 1.00 13.65 O ATOM 45 CB ASP A 6 57.146 -2.705 4.457 1.00 17.18 C ATOM 46 CG ASP A 6 56.200 -1.780 3.701 1.00 16.09 C ATOM 47 OD1 ASP A 6 55.243 -1.237 4.368 1.00 14.31 O ATOM 48 OD2 ASP A 6 56.372 -1.612 2.476 1.00 17.73 O ATOM 49 H ASP A 6 57.928 -4.293 6.892 1.00 0.00 H ATOM 50 N TYR A 7 55.043 -2.372 7.416 1.00 14.89 N ATOM 51 CA TYR A 7 53.760 -2.780 8.022 1.00 14.34 C ATOM 52 C TYR A 7 52.582 -2.753 7.074 1.00 13.69 C ATOM 53 O TYR A 7 51.555 -3.342 7.368 1.00 14.36 O ATOM 54 CB TYR A 7 53.455 -1.971 9.287 1.00 16.10 C ATOM 55 CG TYR A 7 54.268 -2.490 10.416 1.00 17.26 C ATOM 56 CD1 TYR A 7 53.925 -3.658 11.048 1.00 18.31 C ATOM 57 CD2 TYR A 7 55.348 -1.792 10.870 1.00 18.74 C ATOM 58 CE1 TYR A 7 54.706 -4.179 12.083 1.00 20.69 C ATOM 59 CE2 TYR A 7 56.145 -2.281 11.840 1.00 21.57 C ATOM 60 CZ TYR A 7 55.826 -3.470 12.464 1.00 20.30 C ATOM 61 OH TYR A 7 56.620 -3.880 13.492 1.00 26.11 O ATOM 62 HH TYR A 7 56.607 -3.198 14.210 1.00 0.00 H ATOM 63 H TYR A 7 55.475 -1.478 7.726 1.00 0.00 H ATOM 64 N ARG A 8 52.720 -2.107 5.909 1.00 13.77 N ATOM 65 CA ARG A 8 51.683 -2.177 4.906 1.00 13.79 C ATOM 66 C ARG A 8 51.539 -3.608 4.393 1.00 15.16 C ATOM 67 O ARG A 8 50.429 -4.045 4.093 1.00 15.71 O ATOM 68 CB ARG A 8 51.917 -1.240 3.728 1.00 14.55 C ATOM 69 CG ARG A 8 52.077 0.226 4.112 1.00 13.82 C ATOM 70 CD ARG A 8 52.574 1.060 2.947 1.00 12.66 C ATOM 71 NE ARG A 8 53.950 0.672 2.551 1.00 14.14 N ATOM 72 CZ ARG A 8 54.674 1.331 1.648 1.00 13.12 C ATOM 73 NH1 ARG A 8 54.204 2.411 1.045 1.00 13.51 N ATOM 74 NH2 ARG A 8 55.897 0.932 1.335 1.00 13.37 N ATOM 75 HE ARG A 8 54.374 -0.163 3.005 1.00 0.00 H ATOM 76 HH12 ARG A 8 54.787 2.910 0.343 1.00 0.00 H ATOM 77 HH11 ARG A 8 53.252 2.761 1.273 1.00 0.00 H ATOM 78 HH22 ARG A 8 56.450 1.457 0.628 1.00 0.00 H ATOM 79 HH21 ARG A 8 56.304 0.094 1.796 1.00 0.00 H ATOM 80 H ARG A 8 53.580 -1.551 5.725 1.00 0.00 H ATOM 81 N LYS A 9 52.662 -4.327 4.351 1.00 16.84 N ATOM 82 CA LYS A 9 52.689 -5.700 3.906 1.00 19.66 C ATOM 83 C LYS A 9 52.065 -6.641 4.940 1.00 19.58 C ATOM 84 O LYS A 9 51.615 -7.753 4.570 1.00 22.06 O ATOM 85 CB LYS A 9 54.130 -6.137 3.678 1.00 21.65 C ATOM 86 CG LYS A 9 54.850 -5.389 2.557 1.00 24.74 C ATOM 87 CD LYS A 9 53.976 -5.323 1.316 1.00 30.31 C ATOM 88 CE LYS A 9 54.723 -5.512 -0.003 1.00 34.05 C ATOM 89 NZ LYS A 9 55.826 -4.527 -0.151 1.00 34.80 N ATOM 90 HZ1 LYS A 9 55.434 -3.564 -0.129 1.00 0.00 H ATOM 91 HZ2 LYS A 9 56.502 -4.645 0.630 1.00 0.00 H ATOM 92 HZ3 LYS A 9 56.311 -4.685 -1.057 1.00 0.00 H ATOM 93 H LYS A 9 53.553 -3.881 4.650 1.00 0.00 H ATOM 94 N LYS A 10 52.038 -6.217 6.200 1.00 18.63 N ATOM 95 CA LYS A 10 51.435 -7.026 7.243 1.00 18.25 C ATOM 96 C LYS A 10 49.960 -6.667 7.536 1.00 17.09 C ATOM 97 O LYS A 10 49.355 -7.225 8.441 1.00 16.67 O ATOM 98 CB LYS A 10 52.238 -6.929 8.517 1.00 20.33 C ATOM 99 CG LYS A 10 53.643 -7.501 8.396 1.00 23.78 C ATOM 100 CD LYS A 10 54.588 -6.804 9.344 1.00 25.97 C ATOM 101 CE LYS A 10 56.037 -6.980 8.909 1.00 31.16 C ATOM 102 NZ LYS A 10 56.956 -7.191 10.084 1.00 34.36 N ATOM 103 HZ1 LYS A 10 56.903 -6.367 10.716 1.00 0.00 H ATOM 104 HZ2 LYS A 10 56.665 -8.045 10.601 1.00 0.00 H ATOM 105 HZ3 LYS A 10 57.932 -7.306 9.743 1.00 0.00 H ATOM 106 H LYS A 10 52.454 -5.295 6.441 1.00 0.00 H ATOM 107 N GLY A 11 49.369 -5.751 6.766 1.00 15.69 N ATOM 108 CA GLY A 11 47.948 -5.434 6.880 1.00 16.76 C ATOM 109 C GLY A 11 47.643 -4.484 8.030 1.00 15.30 C ATOM 110 O GLY A 11 46.505 -4.386 8.483 1.00 14.96 O ATOM 111 H GLY A 11 49.941 -5.245 6.060 1.00 0.00 H ATOM 112 N TYR A 12 48.676 -3.754 8.476 1.00 12.72 N ATOM 113 CA TYR A 12 48.496 -2.819 9.602 1.00 12.95 C ATOM 114 C TYR A 12 48.071 -1.404 9.206 1.00 11.79 C ATOM 115 O TYR A 12 47.795 -0.560 10.091 1.00 14.80 O ATOM 116 CB TYR A 12 49.799 -2.665 10.384 1.00 13.50 C ATOM 117 CG TYR A 12 50.170 -3.716 11.353 1.00 14.17 C ATOM 118 CD1 TYR A 12 50.105 -5.046 11.020 1.00 17.34 C ATOM 119 CD2 TYR A 12 50.741 -3.381 12.578 1.00 16.43 C ATOM 120 CE1 TYR A 12 50.476 -6.026 11.931 1.00 16.47 C ATOM 121 CE2 TYR A 12 51.120 -4.350 13.456 1.00 16.46 C ATOM 122 CZ TYR A 12 51.046 -5.677 13.081 1.00 18.80 C ATOM 123 OH TYR A 12 51.387 -6.707 13.979 1.00 22.35 O ATOM 124 HH TYR A 12 51.272 -7.583 13.533 1.00 0.00 H ATOM 125 H TYR A 12 49.609 -3.848 8.025 1.00 0.00 H ATOM 126 N VAL A 13 48.004 -1.116 7.924 1.00 11.29 N ATOM 127 CA VAL A 13 47.918 0.266 7.432 1.00 11.05 C ATOM 128 C VAL A 13 46.701 0.399 6.513 1.00 11.01 C ATOM 129 O VAL A 13 46.568 -0.337 5.530 1.00 10.95 O ATOM 130 CB VAL A 13 49.185 0.686 6.680 1.00 12.02 C ATOM 131 CG1 VAL A 13 49.120 2.169 6.223 1.00 12.14 C ATOM 132 CG2 VAL A 13 50.470 0.437 7.529 1.00 12.04 C ATOM 133 H VAL A 13 48.012 -1.894 7.234 1.00 0.00 H ATOM 134 N THR A 14 45.849 1.349 6.841 1.00 9.14 N ATOM 135 CA THR A 14 44.658 1.623 6.044 1.00 9.00 C ATOM 136 C THR A 14 45.021 2.473 4.815 1.00 8.85 C ATOM 137 O THR A 14 46.129 3.007 4.698 1.00 9.75 O ATOM 138 CB THR A 14 43.618 2.370 6.841 1.00 8.82 C ATOM 139 OG1 THR A 14 44.183 3.652 7.158 1.00 8.31 O ATOM 140 CG2 THR A 14 43.209 1.573 8.019 1.00 8.89 C ATOM 141 HG1 THR A 14 45.010 3.525 7.688 1.00 0.00 H ATOM 142 H THR A 14 46.030 1.919 7.692 1.00 0.00 H ATOM 143 N PRO A 15 44.045 2.667 3.917 1.00 10.15 N ATOM 144 CA PRO A 15 44.411 3.517 2.751 1.00 10.09 C ATOM 145 C PRO A 15 44.760 4.956 3.160 1.00 10.08 C ATOM 146 O PRO A 15 44.432 5.436 4.253 1.00 10.78 O ATOM 147 CB PRO A 15 43.143 3.496 1.905 1.00 11.02 C ATOM 148 CG PRO A 15 42.548 2.175 2.243 1.00 11.34 C ATOM 149 CD PRO A 15 42.718 2.063 3.749 1.00 11.56 C ATOM 150 N VAL A 16 45.479 5.630 2.269 1.00 10.59 N ATOM 151 CA VAL A 16 45.870 7.007 2.483 1.00 10.40 C ATOM 152 C VAL A 16 44.649 7.888 2.477 1.00 10.77 C ATOM 153 O VAL A 16 43.770 7.740 1.595 1.00 13.37 O ATOM 154 CB VAL A 16 46.798 7.446 1.371 1.00 11.18 C ATOM 155 CG1 VAL A 16 46.989 8.935 1.406 1.00 11.69 C ATOM 156 CG2 VAL A 16 48.138 6.691 1.521 1.00 12.16 C ATOM 157 H VAL A 16 45.770 5.154 1.391 1.00 0.00 H ATOM 158 N LYS A 17 44.602 8.788 3.467 1.00 10.83 N ATOM 159 CA LYS A 17 43.526 9.706 3.595 1.00 10.16 C ATOM 160 C LYS A 17 43.883 11.119 3.142 1.00 10.52 C ATOM 161 O LYS A 17 45.028 11.447 2.961 1.00 10.40 O ATOM 162 CB LYS A 17 43.100 9.765 5.067 1.00 9.74 C ATOM 163 CG LYS A 17 42.730 8.405 5.714 1.00 9.84 C ATOM 164 CD LYS A 17 41.668 7.654 4.897 1.00 9.90 C ATOM 165 CE LYS A 17 41.118 6.374 5.511 1.00 10.05 C ATOM 166 NZ LYS A 17 42.225 5.574 6.157 1.00 10.35 N ATOM 167 HZ1 LYS A 17 42.936 5.325 5.439 1.00 0.00 H ATOM 168 HZ2 LYS A 17 42.671 6.142 6.905 1.00 0.00 H ATOM 169 HZ3 LYS A 17 41.828 4.706 6.569 1.00 0.00 H ATOM 170 H LYS A 17 45.375 8.816 4.162 1.00 0.00 H ATOM 171 N ASN A 18 42.889 11.986 3.032 1.00 11.66 N ATOM 172 CA ASN A 18 43.164 13.374 2.633 1.00 11.97 C ATOM 173 C ASN A 18 42.531 14.289 3.688 1.00 11.23 C ATOM 174 O ASN A 18 41.292 14.385 3.787 1.00 13.13 O ATOM 175 CB ASN A 18 42.614 13.726 1.258 1.00 12.83 C ATOM 176 CG ASN A 18 43.198 15.044 0.746 1.00 14.86 C ATOM 177 OD1 ASN A 18 43.624 15.938 1.551 1.00 15.42 O ATOM 178 ND2 ASN A 18 43.374 15.116 -0.562 1.00 16.17 N ATOM 179 HD22 ASN A 18 43.008 14.362 -1.178 1.00 0.00 H ATOM 180 HD21 ASN A 18 43.878 15.926 -0.975 1.00 0.00 H ATOM 181 H ASN A 18 41.913 11.685 3.228 1.00 0.00 H ATOM 182 N GLN A 19 43.345 14.948 4.499 1.00 11.02 N ATOM 183 CA GLN A 19 42.800 15.866 5.531 1.00 10.98 C ATOM 184 C GLN A 19 42.116 17.121 4.964 1.00 12.48 C ATOM 185 O GLN A 19 41.489 17.868 5.726 1.00 12.77 O ATOM 186 CB GLN A 19 43.933 16.374 6.425 1.00 12.59 C ATOM 187 CG GLN A 19 45.048 17.238 5.797 1.00 12.17 C ATOM 188 CD GLN A 19 46.242 17.485 6.768 1.00 14.09 C ATOM 189 OE1 GLN A 19 46.470 18.598 7.303 1.00 16.41 O ATOM 190 NE2 GLN A 19 47.025 16.512 6.941 1.00 12.33 N ATOM 191 HE22 GLN A 19 46.823 15.596 6.492 1.00 0.00 H ATOM 192 HE21 GLN A 19 47.872 16.625 7.533 1.00 0.00 H ATOM 193 H GLN A 19 44.374 14.821 4.412 1.00 0.00 H ATOM 194 N GLY A 20 42.375 17.411 3.681 1.00 12.68 N ATOM 195 CA GLY A 20 41.812 18.599 3.042 1.00 13.23 C ATOM 196 C GLY A 20 42.419 19.885 3.626 1.00 14.30 C ATOM 197 O GLY A 20 43.614 19.949 3.984 1.00 12.75 O ATOM 198 H GLY A 20 42.989 16.778 3.129 1.00 0.00 H ATOM 199 N GLN A 21 41.586 20.926 3.726 1.00 15.77 N ATOM 200 CA GLN A 21 42.071 22.236 4.225 1.00 17.22 C ATOM 201 C GLN A 21 42.247 22.373 5.766 1.00 20.11 C ATOM 202 O GLN A 21 42.977 23.211 6.240 1.00 24.88 O ATOM 203 CB GLN A 21 41.165 23.343 3.666 1.00 19.54 C ATOM 204 CG GLN A 21 41.224 23.341 2.127 1.00 19.14 C ATOM 205 CD GLN A 21 42.567 23.829 1.606 1.00 20.10 C ATOM 206 OE1 GLN A 21 43.360 23.077 0.979 1.00 24.55 O ATOM 207 NE2 GLN A 21 42.851 25.082 1.876 1.00 21.16 N ATOM 208 HE22 GLN A 21 42.168 25.669 2.396 1.00 0.00 H ATOM 209 HE21 GLN A 21 43.759 25.487 1.570 1.00 0.00 H ATOM 210 H GLN A 21 40.589 20.816 3.451 1.00 0.00 H ATOM 211 N CYS A 22 41.678 21.451 6.507 1.00 18.88 N ATOM 212 CA CYS A 22 41.765 21.461 7.941 1.00 16.50 C ATOM 213 C CYS A 22 43.163 20.992 8.415 1.00 15.62 C ATOM 214 O CYS A 22 43.653 19.988 7.908 1.00 15.35 O ATOM 215 CB CYS A 22 40.693 20.484 8.424 1.00 16.89 C ATOM 216 SG CYS A 22 40.652 20.078 10.181 1.00 16.33 S ATOM 217 H CYS A 22 41.147 20.688 6.041 1.00 0.00 H ATOM 218 N GLY A 23 43.733 21.683 9.403 1.00 13.74 N ATOM 219 CA GLY A 23 45.027 21.368 10.007 1.00 13.48 C ATOM 220 C GLY A 23 44.948 20.256 11.037 1.00 13.41 C ATOM 221 O GLY A 23 45.463 20.354 12.181 1.00 12.11 O ATOM 222 H GLY A 23 43.218 22.508 9.772 1.00 0.00 H ATOM 223 N SER A 24 44.385 19.160 10.586 1.00 11.59 N ATOM 224 CA SER A 24 44.149 17.982 11.422 1.00 10.48 C ATOM 225 C SER A 24 45.155 16.841 11.186 1.00 10.20 C ATOM 226 O SER A 24 44.873 15.659 11.423 1.00 9.28 O ATOM 227 CB SER A 24 42.783 17.462 11.044 1.00 10.13 C ATOM 228 OG SER A 24 42.695 17.165 9.666 1.00 9.36 O ATOM 229 HG SER A 24 41.787 16.828 9.460 1.00 0.00 H ATOM 230 H SER A 24 44.093 19.127 9.588 1.00 0.00 H ATOM 231 N CYS A 25 46.354 17.172 10.738 1.00 10.76 N ATOM 232 CA CYS A 25 47.386 16.133 10.496 1.00 11.06 C ATOM 233 C CYS A 25 47.597 15.262 11.753 1.00 10.41 C ATOM 234 O CYS A 25 47.754 14.052 11.704 1.00 10.01 O ATOM 235 CB CYS A 25 48.681 16.834 10.074 1.00 11.93 C ATOM 236 SG CYS A 25 49.392 18.006 11.272 1.00 13.17 S ATOM 237 H CYS A 25 46.576 18.171 10.553 1.00 0.00 H ATOM 238 N TRP A 26 47.612 15.926 12.896 1.00 9.25 N ATOM 239 CA TRP A 26 47.735 15.244 14.218 1.00 9.30 C ATOM 240 C TRP A 26 46.681 14.179 14.426 1.00 8.53 C ATOM 241 O TRP A 26 46.958 13.110 14.996 1.00 9.12 O ATOM 242 CB TRP A 26 47.698 16.285 15.345 1.00 9.60 C ATOM 243 CG TRP A 26 46.403 17.018 15.394 1.00 9.97 C ATOM 244 CD1 TRP A 26 46.112 18.226 14.822 1.00 10.80 C ATOM 245 CD2 TRP A 26 45.258 16.656 16.182 1.00 10.19 C ATOM 246 NE1 TRP A 26 44.844 18.583 15.103 1.00 11.31 N ATOM 247 CE2 TRP A 26 44.294 17.664 15.988 1.00 11.17 C ATOM 248 CE3 TRP A 26 44.921 15.542 16.979 1.00 10.65 C ATOM 249 CZ2 TRP A 26 43.001 17.616 16.574 1.00 9.72 C ATOM 250 CZ3 TRP A 26 43.683 15.483 17.563 1.00 11.02 C ATOM 251 CH2 TRP A 26 42.722 16.539 17.407 1.00 10.51 C ATOM 252 HE1 TRP A 26 44.354 19.416 14.718 1.00 0.00 H ATOM 253 H TRP A 26 47.535 16.963 12.873 1.00 0.00 H ATOM 254 N ALA A 27 45.449 14.414 13.956 1.00 8.19 N ATOM 255 CA ALA A 27 44.319 13.468 14.146 1.00 7.92 C ATOM 256 C ALA A 27 44.573 12.289 13.195 1.00 7.80 C ATOM 257 O ALA A 27 44.369 11.177 13.552 1.00 8.86 O ATOM 258 CB ALA A 27 42.992 14.120 13.869 1.00 8.31 C ATOM 259 H ALA A 27 45.276 15.297 13.435 1.00 0.00 H ATOM 260 N PHE A 28 44.962 12.533 11.944 1.00 8.53 N ATOM 261 CA PHE A 28 45.279 11.443 11.045 1.00 7.95 C ATOM 262 C PHE A 28 46.485 10.598 11.506 1.00 7.80 C ATOM 263 O PHE A 28 46.481 9.345 11.368 1.00 7.32 O ATOM 264 CB PHE A 28 45.487 11.940 9.565 1.00 8.53 C ATOM 265 CG PHE A 28 44.235 12.341 8.910 1.00 7.99 C ATOM 266 CD1 PHE A 28 43.449 11.384 8.353 1.00 8.06 C ATOM 267 CD2 PHE A 28 43.707 13.645 9.018 1.00 8.53 C ATOM 268 CE1 PHE A 28 42.196 11.690 7.796 1.00 8.29 C ATOM 269 CE2 PHE A 28 42.463 13.948 8.522 1.00 7.94 C ATOM 270 CZ PHE A 28 41.703 13.010 7.914 1.00 8.60 C ATOM 271 H PHE A 28 45.039 13.515 11.610 1.00 0.00 H ATOM 272 N SER A 29 47.543 11.263 11.945 1.00 8.08 N ATOM 273 CA SER A 29 48.684 10.572 12.477 1.00 8.29 C ATOM 274 C SER A 29 48.278 9.641 13.616 1.00 8.30 C ATOM 275 O SER A 29 48.649 8.456 13.663 1.00 8.88 O ATOM 276 CB SER A 29 49.675 11.609 12.955 1.00 9.64 C ATOM 277 OG SER A 29 50.777 10.932 13.530 1.00 10.23 O ATOM 278 HG SER A 29 51.196 10.348 12.849 1.00 0.00 H ATOM 279 H SER A 29 47.548 12.302 11.904 1.00 0.00 H ATOM 280 N SER A 30 47.504 10.235 14.529 1.00 8.91 N ATOM 281 CA SER A 30 46.994 9.496 15.742 1.00 8.35 C ATOM 282 C SER A 30 46.203 8.296 15.305 1.00 8.82 C ATOM 283 O SER A 30 46.385 7.171 15.850 1.00 8.74 O ATOM 284 CB SER A 30 46.167 10.420 16.669 1.00 9.45 C ATOM 285 OG SER A 30 46.949 11.466 17.106 1.00 9.55 O ATOM 286 HG SER A 30 47.269 11.986 16.326 1.00 0.00 H ATOM 287 H SER A 30 47.246 11.234 14.400 1.00 0.00 H ATOM 288 N VAL A 31 45.246 8.501 14.384 1.00 7.97 N ATOM 289 CA VAL A 31 44.400 7.341 14.045 1.00 8.48 C ATOM 290 C VAL A 31 45.223 6.303 13.319 1.00 7.80 C ATOM 291 O VAL A 31 44.998 5.100 13.571 1.00 8.83 O ATOM 292 CB VAL A 31 43.076 7.606 13.239 1.00 9.01 C ATOM 293 CG1 VAL A 31 42.115 8.487 14.044 1.00 9.52 C ATOM 294 CG2 VAL A 31 43.363 8.142 11.888 1.00 9.57 C ATOM 295 H VAL A 31 45.109 9.429 13.934 1.00 0.00 H ATOM 296 N GLY A 32 46.194 6.701 12.512 1.00 8.21 N ATOM 297 CA GLY A 32 47.033 5.707 11.831 1.00 8.09 C ATOM 298 C GLY A 32 47.753 4.804 12.859 1.00 8.95 C ATOM 299 O GLY A 32 47.795 3.541 12.715 1.00 9.51 O ATOM 300 H GLY A 32 46.362 7.716 12.361 1.00 0.00 H ATOM 301 N ALA A 33 48.273 5.426 13.931 1.00 8.20 N ATOM 302 CA ALA A 33 49.023 4.637 14.939 1.00 8.57 C ATOM 303 C ALA A 33 48.042 3.732 15.691 1.00 9.71 C ATOM 304 O ALA A 33 48.302 2.558 15.942 1.00 9.20 O ATOM 305 CB ALA A 33 49.709 5.585 15.881 1.00 9.19 C ATOM 306 H ALA A 33 48.151 6.452 14.053 1.00 0.00 H ATOM 307 N LEU A 34 46.842 4.273 15.951 1.00 9.72 N ATOM 308 CA LEU A 34 45.792 3.437 16.629 1.00 10.09 C ATOM 309 C LEU A 34 45.339 2.310 15.743 1.00 9.51 C ATOM 310 O LEU A 34 45.186 1.202 16.211 1.00 11.30 O ATOM 311 CB LEU A 34 44.626 4.318 17.019 1.00 10.69 C ATOM 312 CG LEU A 34 44.890 5.309 18.178 1.00 11.96 C ATOM 313 CD1 LEU A 34 43.899 6.461 18.123 1.00 12.84 C ATOM 314 CD2 LEU A 34 44.940 4.547 19.495 1.00 12.26 C ATOM 315 H LEU A 34 46.641 5.259 15.687 1.00 0.00 H ATOM 316 N GLU A 35 45.243 2.570 14.420 1.00 10.43 N ATOM 317 CA GLU A 35 44.846 1.510 13.430 1.00 10.79 C ATOM 318 C GLU A 35 45.883 0.395 13.424 1.00 10.03 C ATOM 319 O GLU A 35 45.503 -0.779 13.424 1.00 9.72 O ATOM 320 CB GLU A 35 44.620 2.066 12.046 1.00 11.22 C ATOM 321 CG GLU A 35 43.380 2.900 11.897 1.00 12.02 C ATOM 322 CD GLU A 35 43.387 3.843 10.725 1.00 11.07 C ATOM 323 OE1 GLU A 35 44.418 4.016 10.004 1.00 10.84 O ATOM 324 OE2 GLU A 35 42.343 4.512 10.545 1.00 11.90 O ATOM 325 H GLU A 35 45.449 3.530 14.077 1.00 0.00 H ATOM 326 N GLY A 36 47.153 0.721 13.537 1.00 10.00 N ATOM 327 CA GLY A 36 48.193 -0.333 13.546 1.00 10.08 C ATOM 328 C GLY A 36 48.021 -1.233 14.752 1.00 11.04 C ATOM 329 O GLY A 36 48.109 -2.443 14.598 1.00 10.30 O ATOM 330 H GLY A 36 47.427 1.721 13.620 1.00 0.00 H ATOM 331 N GLN A 37 47.873 -0.610 15.900 1.00 11.47 N ATOM 332 CA GLN A 37 47.763 -1.343 17.177 1.00 11.77 C ATOM 333 C GLN A 37 46.498 -2.199 17.202 1.00 12.52 C ATOM 334 O GLN A 37 46.486 -3.307 17.774 1.00 12.69 O ATOM 335 CB GLN A 37 47.869 -0.407 18.354 1.00 11.49 C ATOM 336 CG GLN A 37 49.279 0.195 18.531 1.00 12.13 C ATOM 337 CD GLN A 37 50.376 -0.827 18.422 1.00 12.96 C ATOM 338 OE1 GLN A 37 50.601 -1.601 19.360 1.00 13.94 O ATOM 339 NE2 GLN A 37 51.035 -0.885 17.248 1.00 12.96 N ATOM 340 HE22 GLN A 37 50.808 -0.210 16.490 1.00 0.00 H ATOM 341 HE21 GLN A 37 51.771 -1.605 17.100 1.00 0.00 H ATOM 342 H GLN A 37 47.832 0.429 15.909 1.00 0.00 H ATOM 343 N LEU A 38 45.432 -1.690 16.615 1.00 13.37 N ATOM 344 CA LEU A 38 44.154 -2.453 16.496 1.00 14.18 C ATOM 345 C LEU A 38 44.419 -3.730 15.752 1.00 15.34 C ATOM 346 O LEU A 38 43.995 -4.809 16.254 1.00 17.36 O ATOM 347 CB LEU A 38 43.026 -1.638 15.804 1.00 15.35 C ATOM 348 CG LEU A 38 41.659 -2.356 15.693 1.00 15.89 C ATOM 349 CD1 LEU A 38 41.186 -2.627 17.135 1.00 15.09 C ATOM 350 CD2 LEU A 38 40.763 -1.536 14.813 1.00 16.30 C ATOM 351 H LEU A 38 45.483 -0.728 16.223 1.00 0.00 H ATOM 352 N LYS A 39 45.091 -3.647 14.572 1.00 12.71 N ATOM 353 CA LYS A 39 45.351 -4.788 13.748 1.00 15.61 C ATOM 354 C LYS A 39 46.229 -5.818 14.486 1.00 17.50 C ATOM 355 O LYS A 39 45.979 -7.054 14.371 1.00 21.08 O ATOM 356 CB LYS A 39 46.048 -4.373 12.454 1.00 16.28 C ATOM 357 CG LYS A 39 46.671 -5.531 11.660 1.00 18.08 C ATOM 358 CD LYS A 39 45.562 -6.423 11.084 1.00 21.23 C ATOM 359 CE LYS A 39 46.129 -7.703 10.465 1.00 22.92 C ATOM 360 NZ LYS A 39 45.103 -8.401 9.680 1.00 24.40 N ATOM 361 HZ1 LYS A 39 44.306 -8.652 10.299 1.00 0.00 H ATOM 362 HZ2 LYS A 39 44.769 -7.778 8.917 1.00 0.00 H ATOM 363 HZ3 LYS A 39 45.510 -9.266 9.270 1.00 0.00 H ATOM 364 H LYS A 39 45.430 -2.716 14.256 1.00 0.00 H ATOM 365 N LYS A 40 47.238 -5.304 15.189 1.00 15.29 N ATOM 366 CA LYS A 40 48.169 -6.144 15.864 1.00 17.84 C ATOM 367 C LYS A 40 47.441 -6.904 16.999 1.00 19.43 C ATOM 368 O LYS A 40 47.677 -8.116 17.208 1.00 21.11 O ATOM 369 CB LYS A 40 49.305 -5.320 16.447 1.00 17.40 C ATOM 370 CG LYS A 40 50.345 -6.143 17.195 1.00 20.58 C ATOM 371 CD LYS A 40 51.570 -5.302 17.442 1.00 21.78 C ATOM 372 CE LYS A 40 52.718 -6.090 18.044 1.00 25.87 C ATOM 373 NZ LYS A 40 53.662 -5.132 18.627 1.00 26.22 N ATOM 374 HZ1 LYS A 40 54.012 -4.495 17.883 1.00 0.00 H ATOM 375 HZ2 LYS A 40 53.180 -4.576 19.362 1.00 0.00 H ATOM 376 HZ3 LYS A 40 54.461 -5.647 19.048 1.00 0.00 H ATOM 377 H LYS A 40 47.347 -4.271 15.246 1.00 0.00 H ATOM 378 N LYS A 41 46.544 -6.206 17.693 1.00 18.58 N ATOM 379 CA LYS A 41 45.819 -6.780 18.849 1.00 20.67 C ATOM 380 C LYS A 41 44.691 -7.731 18.445 1.00 21.09 C ATOM 381 O LYS A 41 44.592 -8.833 18.980 1.00 22.22 O ATOM 382 CB LYS A 41 45.279 -5.683 19.716 1.00 21.19 C ATOM 383 CG LYS A 41 44.500 -6.205 20.933 1.00 23.92 C ATOM 384 CD LYS A 41 44.285 -5.155 21.972 1.00 24.78 C ATOM 385 CE LYS A 41 44.023 -5.887 23.276 1.00 27.50 C ATOM 386 NZ LYS A 41 43.797 -4.934 24.367 1.00 30.84 N ATOM 387 HZ1 LYS A 41 44.638 -4.333 24.481 1.00 0.00 H ATOM 388 HZ2 LYS A 41 42.973 -4.340 24.142 1.00 0.00 H ATOM 389 HZ3 LYS A 41 43.620 -5.455 25.250 1.00 0.00 H ATOM 390 H LYS A 41 46.346 -5.224 17.413 1.00 0.00 H ATOM 391 N THR A 42 43.872 -7.345 17.483 1.00 18.71 N ATOM 392 CA THR A 42 42.639 -8.074 17.177 1.00 19.93 C ATOM 393 C THR A 42 42.709 -8.885 15.907 1.00 20.07 C ATOM 394 O THR A 42 41.777 -9.634 15.628 1.00 24.42 O ATOM 395 CB THR A 42 41.458 -7.073 16.978 1.00 18.54 C ATOM 396 OG1 THR A 42 41.668 -6.273 15.801 1.00 18.21 O ATOM 397 CG2 THR A 42 41.284 -6.192 18.151 1.00 18.27 C ATOM 398 HG1 THR A 42 42.511 -5.762 15.897 1.00 0.00 H ATOM 399 H THR A 42 44.110 -6.499 16.927 1.00 0.00 H ATOM 400 N GLY A 43 43.736 -8.650 15.072 1.00 20.81 N ATOM 401 CA GLY A 43 43.796 -9.170 13.730 1.00 19.88 C ATOM 402 C GLY A 43 42.902 -8.494 12.677 1.00 21.59 C ATOM 403 O GLY A 43 42.894 -8.934 11.537 1.00 20.61 O ATOM 404 H GLY A 43 44.526 -8.064 15.411 1.00 0.00 H ATOM 405 N LYS A 44 42.159 -7.435 13.055 1.00 21.09 N ATOM 406 CA LYS A 44 41.248 -6.773 12.132 1.00 23.55 C ATOM 407 C LYS A 44 41.686 -5.326 12.002 1.00 19.56 C ATOM 408 O LYS A 44 42.203 -4.736 12.926 1.00 18.76 O ATOM 409 CB LYS A 44 39.784 -6.914 12.576 1.00 29.50 C ATOM 410 CG LYS A 44 39.436 -8.380 12.913 1.00 33.33 C ATOM 411 CD LYS A 44 38.171 -8.936 12.251 1.00 41.46 C ATOM 412 CE LYS A 44 38.414 -10.359 11.748 1.00 45.24 C ATOM 413 NZ LYS A 44 37.215 -10.976 11.108 1.00 53.08 N ATOM 414 HZ1 LYS A 44 36.438 -11.017 11.798 1.00 0.00 H ATOM 415 HZ2 LYS A 44 36.925 -10.401 10.291 1.00 0.00 H ATOM 416 HZ3 LYS A 44 37.450 -11.938 10.791 1.00 0.00 H ATOM 417 H LYS A 44 42.238 -7.082 14.030 1.00 0.00 H ATOM 418 N LEU A 45 41.643 -4.855 10.791 1.00 18.17 N ATOM 419 CA LEU A 45 41.972 -3.465 10.479 1.00 17.77 C ATOM 420 C LEU A 45 40.657 -2.795 10.155 1.00 16.36 C ATOM 421 O LEU A 45 39.789 -3.391 9.472 1.00 15.00 O ATOM 422 CB LEU A 45 42.842 -3.398 9.242 1.00 17.36 C ATOM 423 CG LEU A 45 43.474 -2.026 8.911 1.00 16.64 C ATOM 424 CD1 LEU A 45 44.469 -1.532 9.889 1.00 17.32 C ATOM 425 CD2 LEU A 45 44.073 -1.985 7.529 1.00 17.24 C ATOM 426 H LEU A 45 41.364 -5.490 10.016 1.00 0.00 H ATOM 427 N LEU A 46 40.511 -1.537 10.586 1.00 16.80 N ATOM 428 CA LEU A 46 39.343 -0.720 10.281 1.00 17.93 C ATOM 429 C LEU A 46 39.819 0.719 10.257 1.00 15.56 C ATOM 430 O LEU A 46 40.741 1.067 11.007 1.00 15.13 O ATOM 431 CB LEU A 46 38.283 -0.841 11.419 1.00 23.01 C ATOM 432 CG LEU A 46 36.806 -0.774 10.969 1.00 28.40 C ATOM 433 CD1 LEU A 46 36.526 -1.912 9.978 1.00 29.29 C ATOM 434 CD2 LEU A 46 35.808 -0.845 12.117 1.00 28.63 C ATOM 435 H LEU A 46 41.267 -1.122 11.167 1.00 0.00 H ATOM 436 N ASN A 47 39.198 1.553 9.431 1.00 12.86 N ATOM 437 CA ASN A 47 39.463 3.023 9.487 1.00 12.87 C ATOM 438 C ASN A 47 38.909 3.620 10.767 1.00 10.88 C ATOM 439 O ASN A 47 37.660 3.463 11.065 1.00 9.31 O ATOM 440 CB ASN A 47 38.814 3.769 8.377 1.00 13.00 C ATOM 441 CG ASN A 47 39.441 3.559 7.047 1.00 12.78 C ATOM 442 OD1 ASN A 47 40.655 3.374 6.912 1.00 10.78 O ATOM 443 ND2 ASN A 47 38.580 3.642 5.993 1.00 13.64 N ATOM 444 HD22 ASN A 47 37.566 3.799 6.161 1.00 0.00 H ATOM 445 HD21 ASN A 47 38.938 3.548 5.021 1.00 0.00 H ATOM 446 H ASN A 47 38.519 1.179 8.737 1.00 0.00 H ATOM 447 N LEU A 48 39.748 4.338 11.537 1.00 9.71 N ATOM 448 CA LEU A 48 39.221 4.971 12.757 1.00 10.09 C ATOM 449 C LEU A 48 38.939 6.442 12.506 1.00 9.63 C ATOM 450 O LEU A 48 39.374 6.947 11.491 1.00 10.18 O ATOM 451 CB LEU A 48 40.215 4.811 13.913 1.00 10.94 C ATOM 452 CG LEU A 48 40.501 3.321 14.330 1.00 10.74 C ATOM 453 CD1 LEU A 48 41.656 3.221 15.320 1.00 12.34 C ATOM 454 CD2 LEU A 48 39.238 2.637 14.859 1.00 12.08 C ATOM 455 H LEU A 48 40.749 4.443 11.275 1.00 0.00 H ATOM 456 N SER A 49 38.239 7.076 13.454 1.00 7.73 N ATOM 457 CA SER A 49 37.711 8.431 13.162 1.00 9.44 C ATOM 458 C SER A 49 38.680 9.584 13.480 1.00 9.42 C ATOM 459 O SER A 49 38.795 9.952 14.631 1.00 9.34 O ATOM 460 CB SER A 49 36.409 8.635 13.902 1.00 10.03 C ATOM 461 OG SER A 49 35.898 9.932 13.719 1.00 9.69 O ATOM 462 HG SER A 49 35.735 10.088 12.755 1.00 0.00 H ATOM 463 H SER A 49 38.069 6.628 14.377 1.00 0.00 H ATOM 464 N PRO A 50 39.285 10.227 12.521 1.00 8.21 N ATOM 465 CA PRO A 50 40.034 11.450 12.834 1.00 8.15 C ATOM 466 C PRO A 50 39.066 12.573 13.295 1.00 8.07 C ATOM 467 O PRO A 50 39.483 13.444 13.973 1.00 9.02 O ATOM 468 CB PRO A 50 40.676 11.818 11.510 1.00 8.27 C ATOM 469 CG PRO A 50 39.767 11.160 10.514 1.00 8.62 C ATOM 470 CD PRO A 50 39.480 9.873 11.104 1.00 8.72 C ATOM 471 N GLN A 51 37.847 12.613 12.785 1.00 8.51 N ATOM 472 CA GLN A 51 36.859 13.699 13.164 1.00 10.30 C ATOM 473 C GLN A 51 36.535 13.601 14.620 1.00 10.51 C ATOM 474 O GLN A 51 36.459 14.597 15.296 1.00 11.58 O ATOM 475 CB GLN A 51 35.548 13.539 12.350 1.00 10.76 C ATOM 476 CG GLN A 51 34.723 14.799 12.355 1.00 11.31 C ATOM 477 CD GLN A 51 35.447 15.954 11.724 1.00 11.86 C ATOM 478 OE1 GLN A 51 35.876 15.902 10.539 1.00 11.25 O ATOM 479 NE2 GLN A 51 35.548 17.040 12.465 1.00 15.22 N ATOM 480 HE22 GLN A 51 35.181 17.041 13.438 1.00 0.00 H ATOM 481 HE21 GLN A 51 35.994 17.895 12.076 1.00 0.00 H ATOM 482 H GLN A 51 37.558 11.880 12.106 1.00 0.00 H ATOM 483 N ASN A 52 36.415 12.384 15.137 1.00 11.02 N ATOM 484 CA ASN A 52 36.195 12.170 16.563 1.00 11.00 C ATOM 485 C ASN A 52 37.252 12.937 17.363 1.00 10.30 C ATOM 486 O ASN A 52 36.930 13.640 18.394 1.00 10.12 O ATOM 487 CB ASN A 52 36.232 10.668 16.811 1.00 11.56 C ATOM 488 CG ASN A 52 35.854 10.200 18.209 1.00 10.97 C ATOM 489 OD1 ASN A 52 35.737 8.993 18.386 1.00 12.95 O ATOM 490 ND2 ASN A 52 35.729 11.067 19.193 1.00 8.99 N ATOM 491 HD22 ASN A 52 35.835 12.085 19.006 1.00 0.00 H ATOM 492 HD21 ASN A 52 35.525 10.734 20.157 1.00 0.00 H ATOM 493 H ASN A 52 36.480 11.559 14.507 1.00 0.00 H ATOM 494 N LEU A 53 38.491 12.835 16.929 1.00 9.29 N ATOM 495 CA LEU A 53 39.594 13.490 17.569 1.00 9.70 C ATOM 496 C LEU A 53 39.497 15.010 17.428 1.00 10.05 C ATOM 497 O LEU A 53 39.656 15.763 18.393 1.00 10.31 O ATOM 498 CB LEU A 53 40.891 12.948 17.101 1.00 9.67 C ATOM 499 CG LEU A 53 41.122 11.429 17.281 1.00 9.51 C ATOM 500 CD1 LEU A 53 42.480 11.061 16.776 1.00 9.42 C ATOM 501 CD2 LEU A 53 40.948 10.990 18.714 1.00 9.45 C ATOM 502 H LEU A 53 38.677 12.255 16.086 1.00 0.00 H ATOM 503 N VAL A 54 39.292 15.479 16.202 1.00 9.83 N ATOM 504 CA VAL A 54 39.277 16.917 15.911 1.00 11.18 C ATOM 505 C VAL A 54 38.193 17.588 16.734 1.00 11.77 C ATOM 506 O VAL A 54 38.408 18.646 17.298 1.00 13.42 O ATOM 507 CB VAL A 54 38.957 17.128 14.444 1.00 11.22 C ATOM 508 CG1 VAL A 54 38.546 18.594 14.184 1.00 11.78 C ATOM 509 CG2 VAL A 54 40.141 16.792 13.530 1.00 11.45 C ATOM 510 H VAL A 54 39.137 14.806 15.424 1.00 0.00 H ATOM 511 N ASP A 55 37.038 16.978 16.809 1.00 12.79 N ATOM 512 CA ASP A 55 35.915 17.543 17.603 1.00 11.84 C ATOM 513 C ASP A 55 35.979 17.431 19.112 1.00 12.40 C ATOM 514 O ASP A 55 35.387 18.258 19.808 1.00 14.52 O ATOM 515 CB ASP A 55 34.632 16.872 17.190 1.00 12.19 C ATOM 516 CG ASP A 55 34.246 17.104 15.717 1.00 12.22 C ATOM 517 OD1 ASP A 55 34.878 17.977 15.014 1.00 13.98 O ATOM 518 OD2 ASP A 55 33.246 16.446 15.282 1.00 12.23 O ATOM 519 H ASP A 55 36.903 16.080 16.303 1.00 0.00 H ATOM 520 N CYS A 56 36.619 16.372 19.623 1.00 11.39 N ATOM 521 CA CYS A 56 36.430 16.005 21.064 1.00 11.76 C ATOM 522 C CYS A 56 37.670 16.172 21.894 1.00 12.17 C ATOM 523 O CYS A 56 37.550 16.120 23.126 1.00 12.74 O ATOM 524 CB CYS A 56 35.927 14.554 21.171 1.00 11.72 C ATOM 525 SG CYS A 56 34.479 14.163 20.184 1.00 13.53 S ATOM 526 H CYS A 56 37.248 15.804 19.020 1.00 0.00 H ATOM 527 N VAL A 57 38.868 16.309 21.283 1.00 12.42 N ATOM 528 CA VAL A 57 40.130 16.394 22.064 1.00 11.62 C ATOM 529 C VAL A 57 40.275 17.846 22.447 1.00 12.14 C ATOM 530 O VAL A 57 40.848 18.668 21.682 1.00 12.69 O ATOM 531 CB VAL A 57 41.410 15.928 21.313 1.00 11.25 C ATOM 532 CG1 VAL A 57 42.620 16.002 22.248 1.00 10.46 C ATOM 533 CG2 VAL A 57 41.244 14.497 20.802 1.00 10.54 C ATOM 534 H VAL A 57 38.908 16.356 20.245 1.00 0.00 H ATOM 535 N SER A 58 39.756 18.187 23.633 1.00 11.96 N ATOM 536 CA SER A 58 39.648 19.602 24.012 1.00 13.64 C ATOM 537 C SER A 58 40.970 20.299 24.240 1.00 13.12 C ATOM 538 O SER A 58 41.030 21.543 24.156 1.00 14.41 O ATOM 539 CB SER A 58 38.774 19.761 25.250 1.00 13.58 C ATOM 540 OG SER A 58 39.285 18.988 26.326 1.00 13.68 O ATOM 541 HG SER A 58 39.302 18.033 26.066 1.00 0.00 H ATOM 542 H SER A 58 39.428 17.448 24.288 1.00 0.00 H ATOM 543 N GLU A 59 42.021 19.547 24.592 1.00 14.27 N ATOM 544 CA GLU A 59 43.328 20.146 24.816 1.00 16.33 C ATOM 545 C GLU A 59 44.068 20.433 23.502 1.00 14.76 C ATOM 546 O GLU A 59 45.138 20.962 23.543 1.00 14.70 O ATOM 547 CB GLU A 59 44.184 19.259 25.687 1.00 18.96 C ATOM 548 CG GLU A 59 43.765 19.210 27.139 1.00 24.00 C ATOM 549 CD GLU A 59 44.522 20.207 28.045 1.00 30.22 C ATOM 550 OE1 GLU A 59 45.433 21.032 27.607 1.00 35.10 O ATOM 551 OE2 GLU A 59 44.176 20.189 29.260 1.00 37.44 O ATOM 552 H GLU A 59 41.901 18.520 24.707 1.00 0.00 H ATOM 553 N ASN A 60 43.511 19.980 22.370 1.00 12.63 N ATOM 554 CA ASN A 60 44.017 20.370 21.034 1.00 11.93 C ATOM 555 C ASN A 60 43.162 21.505 20.472 1.00 13.79 C ATOM 556 O ASN A 60 42.225 21.976 21.121 1.00 15.78 O ATOM 557 CB ASN A 60 44.085 19.129 20.099 1.00 11.47 C ATOM 558 CG ASN A 60 45.282 18.251 20.414 1.00 11.10 C ATOM 559 OD1 ASN A 60 46.252 18.664 21.097 1.00 11.33 O ATOM 560 ND2 ASN A 60 45.206 16.996 19.986 1.00 11.40 N ATOM 561 HD22 ASN A 60 44.388 16.687 19.422 1.00 0.00 H ATOM 562 HD21 ASN A 60 45.964 16.322 20.215 1.00 0.00 H ATOM 563 H ASN A 60 42.698 19.334 22.432 1.00 0.00 H ATOM 564 N ASP A 61 43.530 22.018 19.312 1.00 13.05 N ATOM 565 CA ASP A 61 42.843 23.137 18.672 1.00 14.16 C ATOM 566 C ASP A 61 42.210 22.788 17.337 1.00 14.54 C ATOM 567 O ASP A 61 42.192 23.617 16.374 1.00 15.01 O ATOM 568 CB ASP A 61 43.843 24.273 18.496 1.00 15.06 C ATOM 569 CG ASP A 61 43.167 25.615 18.124 1.00 17.17 C ATOM 570 OD1 ASP A 61 41.973 25.825 18.365 1.00 16.60 O ATOM 571 OD2 ASP A 61 43.849 26.439 17.460 1.00 19.80 O ATOM 572 H ASP A 61 44.352 21.603 18.829 1.00 0.00 H ATOM 573 N GLY A 62 41.678 21.566 17.239 1.00 15.07 N ATOM 574 CA GLY A 62 40.902 21.175 16.095 1.00 13.10 C ATOM 575 C GLY A 62 41.664 21.271 14.784 1.00 13.87 C ATOM 576 O GLY A 62 42.735 20.642 14.617 1.00 14.84 O ATOM 577 H GLY A 62 41.829 20.883 18.008 1.00 0.00 H ATOM 578 N CYS A 63 41.083 22.013 13.848 1.00 15.50 N ATOM 579 CA CYS A 63 41.744 22.309 12.579 1.00 15.51 C ATOM 580 C CYS A 63 42.902 23.302 12.727 1.00 15.61 C ATOM 581 O CYS A 63 43.704 23.459 11.823 1.00 16.18 O ATOM 582 CB CYS A 63 40.714 22.774 11.517 1.00 16.63 C ATOM 583 SG CYS A 63 39.520 21.570 11.025 1.00 17.24 S ATOM 584 H CYS A 63 40.131 22.394 14.023 1.00 0.00 H ATOM 585 N GLY A 64 43.035 23.946 13.886 1.00 15.56 N ATOM 586 CA GLY A 64 44.221 24.760 14.130 1.00 15.39 C ATOM 587 C GLY A 64 45.462 23.971 14.467 1.00 17.53 C ATOM 588 O GLY A 64 46.531 24.547 14.506 1.00 18.29 O ATOM 589 H GLY A 64 42.296 23.869 14.614 1.00 0.00 H ATOM 590 N GLY A 65 45.362 22.669 14.793 1.00 15.12 N ATOM 591 CA GLY A 65 46.512 21.907 15.204 1.00 14.23 C ATOM 592 C GLY A 65 46.345 21.158 16.517 1.00 13.12 C ATOM 593 O GLY A 65 45.387 21.401 17.267 1.00 13.70 O ATOM 594 H GLY A 65 44.433 22.203 14.747 1.00 0.00 H ATOM 595 N GLY A 66 47.292 20.282 16.800 1.00 13.31 N ATOM 596 CA GLY A 66 47.218 19.444 18.002 1.00 11.49 C ATOM 597 C GLY A 66 48.409 18.575 18.141 1.00 12.21 C ATOM 598 O GLY A 66 49.217 18.488 17.190 1.00 11.64 O ATOM 599 H GLY A 66 48.105 20.184 16.159 1.00 0.00 H ATOM 600 N TYR A 67 48.461 17.867 19.272 1.00 12.76 N ATOM 601 CA TYR A 67 49.488 16.908 19.588 1.00 12.63 C ATOM 602 C TYR A 67 48.841 15.521 19.513 1.00 11.60 C ATOM 603 O TYR A 67 47.685 15.340 19.935 1.00 11.31 O ATOM 604 CB TYR A 67 50.098 17.097 20.979 1.00 14.03 C ATOM 605 CG TYR A 67 51.053 18.289 21.032 1.00 16.62 C ATOM 606 CD1 TYR A 67 52.011 18.434 20.064 1.00 18.72 C ATOM 607 CD2 TYR A 67 50.919 19.303 21.993 1.00 18.15 C ATOM 608 CE1 TYR A 67 52.862 19.541 20.046 1.00 21.22 C ATOM 609 CE2 TYR A 67 51.766 20.426 21.949 1.00 22.31 C ATOM 610 CZ TYR A 67 52.737 20.510 20.979 1.00 23.90 C ATOM 611 OH TYR A 67 53.610 21.575 20.873 1.00 30.73 O ATOM 612 HH TYR A 67 54.220 21.426 20.107 1.00 0.00 H ATOM 613 H TYR A 67 47.708 18.019 19.973 1.00 0.00 H ATOM 614 N MET A 68 49.591 14.550 19.001 1.00 10.51 N ATOM 615 CA MET A 68 49.139 13.145 19.026 1.00 11.12 C ATOM 616 C MET A 68 48.967 12.578 20.441 1.00 11.81 C ATOM 617 O MET A 68 48.027 11.845 20.714 1.00 10.33 O ATOM 618 CB MET A 68 50.028 12.259 18.101 1.00 11.42 C ATOM 619 CG MET A 68 50.113 12.740 16.625 1.00 11.17 C ATOM 620 SD MET A 68 51.138 14.209 16.298 1.00 13.80 S ATOM 621 CE MET A 68 52.754 13.494 16.205 1.00 12.40 C ATOM 622 H MET A 68 50.511 14.784 18.576 1.00 0.00 H ATOM 623 N THR A 69 49.875 12.936 21.350 1.00 11.65 N ATOM 624 CA THR A 69 49.796 12.400 22.696 1.00 13.59 C ATOM 625 C THR A 69 48.475 12.832 23.353 1.00 12.31 C ATOM 626 O THR A 69 47.831 12.036 24.023 1.00 13.74 O ATOM 627 CB THR A 69 51.049 12.902 23.491 1.00 13.18 C ATOM 628 OG1 THR A 69 51.134 14.321 23.370 1.00 13.52 O ATOM 629 CG2 THR A 69 52.293 12.236 22.945 1.00 13.81 C ATOM 630 HG1 THR A 69 51.924 14.647 23.870 1.00 0.00 H ATOM 631 H THR A 69 50.637 13.597 21.095 1.00 0.00 H ATOM 632 N ASN A 70 48.060 14.088 23.178 1.00 12.03 N ATOM 633 CA ASN A 70 46.746 14.540 23.668 1.00 12.83 C ATOM 634 C ASN A 70 45.632 13.678 23.097 1.00 12.57 C ATOM 635 O ASN A 70 44.658 13.386 23.810 1.00 12.76 O ATOM 636 CB ASN A 70 46.463 16.019 23.390 1.00 14.04 C ATOM 637 CG ASN A 70 47.401 16.967 24.181 1.00 14.75 C ATOM 638 OD1 ASN A 70 47.991 16.551 25.148 1.00 18.83 O ATOM 639 ND2 ASN A 70 47.494 18.208 23.773 1.00 13.99 N ATOM 640 HD22 ASN A 70 46.966 18.520 22.933 1.00 0.00 H ATOM 641 HD21 ASN A 70 48.096 18.881 24.289 1.00 0.00 H ATOM 642 H ASN A 70 48.678 14.763 22.685 1.00 0.00 H ATOM 643 N ALA A 71 45.715 13.313 21.804 1.00 12.08 N ATOM 644 CA ALA A 71 44.700 12.423 21.207 1.00 10.25 C ATOM 645 C ALA A 71 44.697 11.016 21.873 1.00 10.43 C ATOM 646 O ALA A 71 43.602 10.450 22.189 1.00 10.23 O ATOM 647 CB ALA A 71 44.955 12.338 19.699 1.00 9.98 C ATOM 648 H ALA A 71 46.502 13.661 21.220 1.00 0.00 H ATOM 649 N PHE A 72 45.881 10.438 22.132 1.00 9.99 N ATOM 650 CA PHE A 72 45.921 9.106 22.744 1.00 10.21 C ATOM 651 C PHE A 72 45.318 9.159 24.164 1.00 11.77 C ATOM 652 O PHE A 72 44.581 8.269 24.580 1.00 11.67 O ATOM 653 CB PHE A 72 47.312 8.518 22.745 1.00 10.36 C ATOM 654 CG PHE A 72 47.975 8.477 21.371 1.00 10.01 C ATOM 655 CD1 PHE A 72 47.286 7.935 20.290 1.00 10.40 C ATOM 656 CD2 PHE A 72 49.316 8.798 21.225 1.00 11.41 C ATOM 657 CE1 PHE A 72 47.895 7.859 19.045 1.00 10.30 C ATOM 658 CE2 PHE A 72 49.920 8.713 19.989 1.00 10.87 C ATOM 659 CZ PHE A 72 49.179 8.256 18.884 1.00 11.33 C ATOM 660 H PHE A 72 46.766 10.933 21.900 1.00 0.00 H ATOM 661 N GLN A 73 45.713 10.189 24.882 1.00 13.67 N ATOM 662 CA GLN A 73 45.191 10.363 26.229 1.00 17.27 C ATOM 663 C GLN A 73 43.684 10.490 26.232 1.00 14.74 C ATOM 664 O GLN A 73 42.991 9.936 27.097 1.00 15.57 O ATOM 665 CB GLN A 73 45.832 11.574 26.884 1.00 21.34 C ATOM 666 CG GLN A 73 45.416 11.664 28.321 1.00 28.73 C ATOM 667 CD GLN A 73 46.616 11.906 29.185 1.00 38.49 C ATOM 668 OE1 GLN A 73 46.945 13.065 29.483 1.00 46.34 O ATOM 669 NE2 GLN A 73 47.342 10.824 29.522 1.00 44.26 N ATOM 670 HE22 GLN A 73 47.019 9.875 29.246 1.00 0.00 H ATOM 671 HE21 GLN A 73 48.226 10.937 30.058 1.00 0.00 H ATOM 672 H GLN A 73 46.392 10.872 24.490 1.00 0.00 H ATOM 673 N TYR A 74 43.163 11.240 25.292 1.00 13.16 N ATOM 674 CA TYR A 74 41.712 11.370 25.069 1.00 12.74 C ATOM 675 C TYR A 74 41.099 9.988 24.865 1.00 12.86 C ATOM 676 O TYR A 74 40.101 9.628 25.559 1.00 13.42 O ATOM 677 CB TYR A 74 41.380 12.295 23.881 1.00 12.35 C ATOM 678 CG TYR A 74 39.935 12.115 23.377 1.00 11.87 C ATOM 679 CD1 TYR A 74 38.839 12.600 24.126 1.00 12.08 C ATOM 680 CD2 TYR A 74 39.657 11.307 22.275 1.00 12.46 C ATOM 681 CE1 TYR A 74 37.519 12.380 23.751 1.00 11.14 C ATOM 682 CE2 TYR A 74 38.319 11.121 21.846 1.00 11.20 C ATOM 683 CZ TYR A 74 37.248 11.662 22.585 1.00 11.48 C ATOM 684 OH TYR A 74 35.983 11.438 22.170 1.00 11.70 O ATOM 685 HH TYR A 74 35.350 11.880 22.790 1.00 0.00 H ATOM 686 H TYR A 74 43.807 11.771 24.671 1.00 0.00 H ATOM 687 N VAL A 75 41.682 9.149 24.024 1.00 11.25 N ATOM 688 CA VAL A 75 41.014 7.896 23.665 1.00 12.32 C ATOM 689 C VAL A 75 40.950 7.003 24.935 1.00 13.24 C ATOM 690 O VAL A 75 39.957 6.306 25.202 1.00 12.10 O ATOM 691 CB VAL A 75 41.707 7.176 22.491 1.00 12.79 C ATOM 692 CG1 VAL A 75 41.160 5.774 22.229 1.00 12.71 C ATOM 693 CG2 VAL A 75 41.635 8.023 21.245 1.00 12.50 C ATOM 694 H VAL A 75 42.612 9.379 23.619 1.00 0.00 H ATOM 695 N GLN A 76 42.078 7.011 25.656 1.00 13.40 N ATOM 696 CA GLN A 76 42.259 6.299 26.917 1.00 13.81 C ATOM 697 C GLN A 76 41.190 6.738 27.921 1.00 14.99 C ATOM 698 O GLN A 76 40.402 5.883 28.434 1.00 14.11 O ATOM 699 CB GLN A 76 43.618 6.629 27.534 1.00 16.34 C ATOM 700 CG GLN A 76 43.827 5.843 28.800 1.00 18.51 C ATOM 701 CD GLN A 76 45.209 6.003 29.392 1.00 23.59 C ATOM 702 OE1 GLN A 76 45.859 7.014 29.193 1.00 27.18 O ATOM 703 NE2 GLN A 76 45.610 5.048 30.197 1.00 29.44 N ATOM 704 HE22 GLN A 76 45.020 4.203 30.335 1.00 0.00 H ATOM 705 HE21 GLN A 76 46.518 5.136 30.697 1.00 0.00 H ATOM 706 H GLN A 76 42.881 7.563 25.292 1.00 0.00 H ATOM 707 N LYS A 77 41.109 8.036 28.172 1.00 15.99 N ATOM 708 CA LYS A 77 40.168 8.515 29.202 1.00 18.88 C ATOM 709 C LYS A 77 38.668 8.401 28.762 1.00 17.01 C ATOM 710 O LYS A 77 37.792 8.222 29.588 1.00 17.51 O ATOM 711 CB LYS A 77 40.496 9.937 29.649 1.00 23.30 C ATOM 712 CG LYS A 77 41.859 10.038 30.383 1.00 29.08 C ATOM 713 CD LYS A 77 41.963 9.012 31.528 1.00 34.20 C ATOM 714 CE LYS A 77 43.108 9.276 32.489 1.00 40.70 C ATOM 715 NZ LYS A 77 44.354 8.693 31.936 1.00 45.06 N ATOM 716 HZ1 LYS A 77 44.231 7.668 31.813 1.00 0.00 H ATOM 717 HZ2 LYS A 77 44.562 9.131 31.016 1.00 0.00 H ATOM 718 HZ3 LYS A 77 45.140 8.872 32.593 1.00 0.00 H ATOM 719 H LYS A 77 41.703 8.710 27.648 1.00 0.00 H ATOM 720 N ASN A 78 38.437 8.536 27.465 1.00 15.47 N ATOM 721 CA ASN A 78 37.142 8.402 26.879 1.00 13.52 C ATOM 722 C ASN A 78 36.598 6.953 26.809 1.00 14.91 C ATOM 723 O ASN A 78 35.363 6.753 26.561 1.00 14.23 O ATOM 724 CB ASN A 78 37.165 8.982 25.474 1.00 13.55 C ATOM 725 CG ASN A 78 35.775 9.212 24.910 1.00 13.20 C ATOM 726 OD1 ASN A 78 35.010 9.947 25.475 1.00 14.50 O ATOM 727 ND2 ASN A 78 35.494 8.646 23.730 1.00 13.52 N ATOM 728 HD22 ASN A 78 36.187 8.016 23.277 1.00 0.00 H ATOM 729 HD21 ASN A 78 34.583 8.836 23.266 1.00 0.00 H ATOM 730 H ASN A 78 39.241 8.751 26.841 1.00 0.00 H ATOM 731 N ARG A 79 37.466 5.979 27.039 1.00 14.11 N ATOM 732 CA ARG A 79 37.130 4.579 26.855 1.00 15.62 C ATOM 733 C ARG A 79 36.724 4.261 25.433 1.00 13.34 C ATOM 734 O ARG A 79 35.959 3.339 25.223 1.00 13.75 O ATOM 735 CB ARG A 79 36.084 4.090 27.843 1.00 18.42 C ATOM 736 CG ARG A 79 36.477 4.339 29.333 1.00 23.39 C ATOM 737 CD ARG A 79 35.263 4.219 30.274 1.00 27.66 C ATOM 738 NE ARG A 79 34.212 5.219 29.970 1.00 35.89 N ATOM 739 CZ ARG A 79 32.963 4.972 29.532 1.00 43.37 C ATOM 740 NH1 ARG A 79 32.479 3.738 29.358 1.00 47.91 N ATOM 741 NH2 ARG A 79 32.155 5.993 29.281 1.00 49.41 N ATOM 742 HE ARG A 79 34.466 6.218 30.110 1.00 0.00 H ATOM 743 HH12 ARG A 79 31.506 3.605 29.017 1.00 0.00 H ATOM 744 HH11 ARG A 79 33.076 2.912 29.564 1.00 0.00 H ATOM 745 HH22 ARG A 79 31.187 5.819 28.942 1.00 0.00 H ATOM 746 HH21 ARG A 79 32.489 6.968 29.423 1.00 0.00 H ATOM 747 H ARG A 79 38.423 6.226 27.363 1.00 0.00 H ATOM 748 N GLY A 80 37.272 4.993 24.427 1.00 11.63 N ATOM 749 CA GLY A 80 37.048 4.517 23.067 1.00 10.88 C ATOM 750 C GLY A 80 37.304 5.621 22.059 1.00 9.88 C ATOM 751 O GLY A 80 37.320 6.812 22.425 1.00 11.83 O ATOM 752 H GLY A 80 37.825 5.853 24.618 1.00 0.00 H ATOM 753 N ILE A 81 37.410 5.183 20.817 1.00 10.90 N ATOM 754 CA ILE A 81 37.350 6.044 19.638 1.00 10.05 C ATOM 755 C ILE A 81 36.439 5.350 18.632 1.00 10.44 C ATOM 756 O ILE A 81 36.502 4.103 18.407 1.00 9.72 O ATOM 757 CB ILE A 81 38.756 6.310 19.003 1.00 9.75 C ATOM 758 CG1 ILE A 81 38.701 7.301 17.833 1.00 9.28 C ATOM 759 CG2 ILE A 81 39.375 4.977 18.553 1.00 8.90 C ATOM 760 CD1 ILE A 81 40.090 7.713 17.379 1.00 9.81 C ATOM 761 H ILE A 81 37.544 4.162 20.669 1.00 0.00 H ATOM 762 N ASP A 82 35.596 6.180 18.018 1.00 9.71 N ATOM 763 CA ASP A 82 34.745 5.681 16.909 1.00 8.94 C ATOM 764 C ASP A 82 35.461 5.301 15.633 1.00 9.91 C ATOM 765 O ASP A 82 36.513 5.771 15.398 1.00 8.24 O ATOM 766 CB ASP A 82 33.593 6.689 16.645 1.00 9.59 C ATOM 767 CG ASP A 82 32.571 6.757 17.770 1.00 11.61 C ATOM 768 OD1 ASP A 82 32.442 5.760 18.571 1.00 11.02 O ATOM 769 OD2 ASP A 82 31.844 7.795 17.873 1.00 10.08 O ATOM 770 H ASP A 82 35.535 7.175 18.315 1.00 0.00 H ATOM 771 N SER A 83 34.811 4.406 14.874 1.00 11.95 N ATOM 772 CA SER A 83 35.204 4.142 13.502 1.00 12.71 C ATOM 773 C SER A 83 34.872 5.311 12.639 1.00 12.02 C ATOM 774 O SER A 83 33.999 6.145 12.966 1.00 12.59 O ATOM 775 CB SER A 83 34.450 2.921 12.990 1.00 14.08 C ATOM 776 OG SER A 83 33.103 3.239 12.790 1.00 14.13 O ATOM 777 HG SER A 83 33.033 3.968 12.124 1.00 0.00 H ATOM 778 H SER A 83 34.005 3.888 15.279 1.00 0.00 H ATOM 779 N GLU A 84 35.599 5.414 11.522 1.00 11.72 N ATOM 780 CA GLU A 84 35.338 6.373 10.509 1.00 11.87 C ATOM 781 C GLU A 84 33.870 6.222 10.021 1.00 13.02 C ATOM 782 O GLU A 84 33.202 7.198 9.796 1.00 13.45 O ATOM 783 CB GLU A 84 36.277 6.206 9.337 1.00 13.16 C ATOM 784 CG GLU A 84 35.922 7.011 8.110 1.00 13.12 C ATOM 785 CD GLU A 84 36.099 8.513 8.225 1.00 15.26 C ATOM 786 OE1 GLU A 84 36.947 9.002 9.006 1.00 15.33 O ATOM 787 OE2 GLU A 84 35.369 9.229 7.493 1.00 17.45 O ATOM 788 H GLU A 84 36.396 4.759 11.389 1.00 0.00 H ATOM 789 N ASP A 85 33.422 4.991 9.888 1.00 15.51 N ATOM 790 CA ASP A 85 32.048 4.758 9.445 1.00 19.92 C ATOM 791 C ASP A 85 31.029 5.373 10.389 1.00 18.02 C ATOM 792 O ASP A 85 30.125 6.053 9.906 1.00 22.11 O ATOM 793 CB ASP A 85 31.843 3.274 9.156 1.00 21.23 C ATOM 794 CG ASP A 85 32.505 2.870 7.878 1.00 26.42 C ATOM 795 OD1 ASP A 85 32.533 3.727 6.948 1.00 33.83 O ATOM 796 OD2 ASP A 85 33.014 1.718 7.778 1.00 32.31 O ATOM 797 H ASP A 85 34.045 4.185 10.098 1.00 0.00 H ATOM 798 N ALA A 86 31.216 5.207 11.688 1.00 19.53 N ATOM 799 CA ALA A 86 30.358 5.735 12.784 1.00 20.24 C ATOM 800 C ALA A 86 30.487 7.276 12.970 1.00 21.07 C ATOM 801 O ALA A 86 29.548 7.946 13.500 1.00 22.55 O ATOM 802 CB ALA A 86 30.635 4.976 14.088 1.00 21.64 C ATOM 803 H ALA A 86 32.047 4.651 11.973 1.00 0.00 H ATOM 804 N TYR A 87 31.585 7.869 12.483 1.00 15.89 N ATOM 805 CA TYR A 87 31.883 9.259 12.769 1.00 14.35 C ATOM 806 C TYR A 87 32.776 9.803 11.630 1.00 14.79 C ATOM 807 O TYR A 87 34.016 9.949 11.793 1.00 12.17 O ATOM 808 CB TYR A 87 32.507 9.360 14.161 1.00 14.46 C ATOM 809 CG TYR A 87 32.519 10.734 14.853 1.00 13.16 C ATOM 810 CD1 TYR A 87 32.499 11.929 14.136 1.00 12.88 C ATOM 811 CD2 TYR A 87 32.522 10.852 16.234 1.00 14.41 C ATOM 812 CE1 TYR A 87 32.488 13.157 14.783 1.00 12.80 C ATOM 813 CE2 TYR A 87 32.549 12.086 16.842 1.00 12.87 C ATOM 814 CZ TYR A 87 32.529 13.225 16.116 1.00 12.12 C ATOM 815 OH TYR A 87 32.538 14.407 16.838 1.00 13.21 O ATOM 816 HH TYR A 87 32.522 15.174 16.213 1.00 0.00 H ATOM 817 H TYR A 87 32.238 7.321 11.887 1.00 0.00 H ATOM 818 N PRO A 88 32.144 10.184 10.516 1.00 13.72 N ATOM 819 CA PRO A 88 32.876 10.464 9.300 1.00 14.54 C ATOM 820 C PRO A 88 33.592 11.800 9.281 1.00 13.91 C ATOM 821 O PRO A 88 33.190 12.741 10.003 1.00 15.16 O ATOM 822 CB PRO A 88 31.772 10.469 8.241 1.00 15.21 C ATOM 823 CG PRO A 88 30.619 11.000 8.981 1.00 14.53 C ATOM 824 CD PRO A 88 30.694 10.330 10.309 1.00 14.92 C ATOM 825 N TYR A 89 34.602 11.888 8.401 1.00 13.13 N ATOM 826 CA TYR A 89 35.456 13.065 8.374 1.00 12.98 C ATOM 827 C TYR A 89 34.734 14.137 7.587 1.00 14.48 C ATOM 828 O TYR A 89 34.274 13.876 6.472 1.00 16.45 O ATOM 829 CB TYR A 89 36.814 12.793 7.741 1.00 12.95 C ATOM 830 CG TYR A 89 37.744 13.928 7.782 1.00 12.41 C ATOM 831 CD1 TYR A 89 38.254 14.385 8.974 1.00 13.50 C ATOM 832 CD2 TYR A 89 38.190 14.550 6.598 1.00 11.59 C ATOM 833 CE1 TYR A 89 39.153 15.437 9.026 1.00 12.37 C ATOM 834 CE2 TYR A 89 39.102 15.603 6.631 1.00 13.30 C ATOM 835 CZ TYR A 89 39.591 16.059 7.841 1.00 12.58 C ATOM 836 OH TYR A 89 40.499 17.129 7.819 1.00 13.20 O ATOM 837 HH TYR A 89 41.299 16.871 7.297 1.00 0.00 H ATOM 838 H TYR A 89 34.775 11.109 7.734 1.00 0.00 H ATOM 839 N VAL A 90 34.672 15.323 8.149 1.00 15.12 N ATOM 840 CA VAL A 90 34.096 16.480 7.464 1.00 18.86 C ATOM 841 C VAL A 90 35.022 17.639 7.295 1.00 19.17 C ATOM 842 O VAL A 90 34.633 18.589 6.597 1.00 19.55 O ATOM 843 CB VAL A 90 32.771 16.964 8.151 1.00 19.76 C ATOM 844 CG1 VAL A 90 31.760 15.837 8.280 1.00 20.17 C ATOM 845 CG2 VAL A 90 32.987 17.567 9.493 1.00 19.85 C ATOM 846 H VAL A 90 35.045 15.443 9.112 1.00 0.00 H ATOM 847 N GLY A 91 36.151 17.665 8.001 1.00 18.15 N ATOM 848 CA GLY A 91 37.224 18.631 7.748 1.00 17.16 C ATOM 849 C GLY A 91 36.984 20.040 8.290 1.00 21.23 C ATOM 850 O GLY A 91 37.496 21.023 7.732 1.00 20.78 O ATOM 851 H GLY A 91 36.277 16.970 8.765 1.00 0.00 H ATOM 852 N GLN A 92 36.172 20.127 9.339 1.00 21.21 N ATOM 853 CA GLN A 92 36.039 21.321 10.172 1.00 22.91 C ATOM 854 C GLN A 92 35.672 20.896 11.560 1.00 21.15 C ATOM 855 O GLN A 92 35.044 19.885 11.750 1.00 21.14 O ATOM 856 CB GLN A 92 34.963 22.298 9.660 1.00 28.73 C ATOM 857 CG GLN A 92 33.808 21.696 8.943 1.00 33.70 C ATOM 858 CD GLN A 92 33.148 22.759 8.111 1.00 44.72 C ATOM 859 OE1 GLN A 92 32.843 23.846 8.628 1.00 49.26 O ATOM 860 NE2 GLN A 92 32.989 22.497 6.801 1.00 48.00 N ATOM 861 HE22 GLN A 92 33.261 21.569 6.420 1.00 0.00 H ATOM 862 HE21 GLN A 92 32.594 23.223 6.170 1.00 0.00 H ATOM 863 H GLN A 92 35.597 19.295 9.582 1.00 0.00 H ATOM 864 N GLU A 93 36.057 21.724 12.500 1.00 17.78 N ATOM 865 CA GLU A 93 35.950 21.399 13.887 1.00 18.56 C ATOM 866 C GLU A 93 34.484 21.656 14.309 1.00 21.58 C ATOM 867 O GLU A 93 34.016 22.768 14.277 1.00 18.93 O ATOM 868 CB GLU A 93 36.958 22.169 14.702 1.00 18.76 C ATOM 869 CG GLU A 93 36.780 21.816 16.176 1.00 19.87 C ATOM 870 CD GLU A 93 37.581 22.584 17.188 1.00 23.19 C ATOM 871 OE1 GLU A 93 38.404 23.437 16.776 1.00 24.03 O ATOM 872 OE2 GLU A 93 37.345 22.285 18.407 1.00 25.50 O ATOM 873 H GLU A 93 36.453 22.646 12.228 1.00 0.00 H ATOM 874 N GLU A 94 33.783 20.589 14.668 1.00 19.07 N ATOM 875 CA GLU A 94 32.384 20.644 15.091 1.00 18.63 C ATOM 876 C GLU A 94 32.238 20.164 16.495 1.00 15.99 C ATOM 877 O GLU A 94 33.237 19.805 17.185 1.00 17.44 O ATOM 878 CB GLU A 94 31.546 19.757 14.158 1.00 20.72 C ATOM 879 CG GLU A 94 31.745 20.108 12.704 1.00 22.78 C ATOM 880 CD GLU A 94 30.772 19.433 11.734 1.00 24.54 C ATOM 881 OE1 GLU A 94 30.277 18.269 11.936 1.00 25.57 O ATOM 882 OE2 GLU A 94 30.511 20.119 10.709 1.00 32.66 O ATOM 883 H GLU A 94 34.254 19.662 14.648 1.00 0.00 H ATOM 884 N SER A 95 30.984 20.168 16.957 1.00 17.07 N ATOM 885 CA SER A 95 30.635 19.670 18.284 1.00 18.22 C ATOM 886 C SER A 95 31.020 18.203 18.430 1.00 15.36 C ATOM 887 O SER A 95 31.009 17.446 17.448 1.00 15.99 O ATOM 888 CB SER A 95 29.132 19.800 18.558 1.00 21.11 C ATOM 889 OG SER A 95 28.412 18.843 17.816 1.00 24.46 O ATOM 890 HG SER A 95 28.710 17.935 18.074 1.00 0.00 H ATOM 891 H SER A 95 30.228 20.540 16.348 1.00 0.00 H ATOM 892 N CYS A 96 31.358 17.784 19.620 1.00 15.27 N ATOM 893 CA CYS A 96 31.710 16.353 19.816 1.00 15.54 C ATOM 894 C CYS A 96 30.450 15.489 19.717 1.00 16.65 C ATOM 895 O CYS A 96 29.466 15.718 20.473 1.00 19.99 O ATOM 896 CB CYS A 96 32.363 16.192 21.156 1.00 16.80 C ATOM 897 SG CYS A 96 32.937 14.510 21.562 1.00 16.83 S ATOM 898 H CYS A 96 31.381 18.445 20.423 1.00 0.00 H ATOM 899 N MET A 97 30.522 14.448 18.878 1.00 15.96 N ATOM 900 CA MET A 97 29.403 13.557 18.555 1.00 17.75 C ATOM 901 C MET A 97 29.804 12.106 18.866 1.00 16.85 C ATOM 902 O MET A 97 29.295 11.206 18.220 1.00 15.91 O ATOM 903 CB MET A 97 29.060 13.674 17.059 1.00 21.37 C ATOM 904 CG MET A 97 28.718 15.081 16.556 1.00 25.01 C ATOM 905 SD MET A 97 29.018 15.388 14.770 1.00 33.99 S ATOM 906 CE MET A 97 29.663 17.045 14.944 1.00 28.30 C ATOM 907 H MET A 97 31.437 14.258 18.423 1.00 0.00 H ATOM 908 N TYR A 98 30.719 11.895 19.819 1.00 15.35 N ATOM 909 CA TYR A 98 31.181 10.578 20.140 1.00 14.33 C ATOM 910 C TYR A 98 30.027 9.718 20.616 1.00 15.64 C ATOM 911 O TYR A 98 29.243 10.164 21.479 1.00 15.33 O ATOM 912 CB TYR A 98 32.350 10.600 21.180 1.00 14.53 C ATOM 913 CG TYR A 98 32.710 9.238 21.701 1.00 13.26 C ATOM 914 CD1 TYR A 98 33.529 8.403 20.968 1.00 12.13 C ATOM 915 CD2 TYR A 98 32.256 8.774 22.940 1.00 12.88 C ATOM 916 CE1 TYR A 98 33.832 7.161 21.372 1.00 12.73 C ATOM 917 CE2 TYR A 98 32.555 7.485 23.349 1.00 13.65 C ATOM 918 CZ TYR A 98 33.344 6.668 22.536 1.00 13.01 C ATOM 919 OH TYR A 98 33.732 5.426 22.908 1.00 13.93 O ATOM 920 HH TYR A 98 34.266 5.484 23.740 1.00 0.00 H ATOM 921 H TYR A 98 31.105 12.708 20.340 1.00 0.00 H ATOM 922 N ASN A 99 29.940 8.488 20.089 1.00 15.01 N ATOM 923 CA ASN A 99 28.981 7.503 20.574 1.00 16.48 C ATOM 924 C ASN A 99 29.698 6.277 21.038 1.00 14.06 C ATOM 925 O ASN A 99 30.375 5.633 20.265 1.00 12.40 O ATOM 926 CB ASN A 99 28.040 7.142 19.422 1.00 19.66 C ATOM 927 CG ASN A 99 26.866 6.292 19.878 1.00 22.41 C ATOM 928 OD1 ASN A 99 26.957 5.483 20.818 1.00 21.36 O ATOM 929 ND2 ASN A 99 25.711 6.527 19.253 1.00 24.46 N ATOM 930 HD22 ASN A 99 25.673 7.211 18.470 1.00 0.00 H ATOM 931 HD21 ASN A 99 24.849 6.026 19.548 1.00 0.00 H ATOM 932 H ASN A 99 30.577 8.228 19.309 1.00 0.00 H ATOM 933 N PRO A 100 29.610 5.945 22.309 1.00 14.17 N ATOM 934 CA PRO A 100 30.373 4.861 22.872 1.00 13.33 C ATOM 935 C PRO A 100 30.020 3.545 22.136 1.00 13.23 C ATOM 936 O PRO A 100 30.847 2.641 22.074 1.00 12.21 O ATOM 937 CB PRO A 100 29.961 4.841 24.362 1.00 14.54 C ATOM 938 CG PRO A 100 28.746 5.641 24.427 1.00 15.70 C ATOM 939 CD PRO A 100 28.808 6.646 23.314 1.00 14.36 C ATOM 940 N THR A 101 28.763 3.369 21.716 1.00 13.60 N ATOM 941 CA THR A 101 28.386 2.095 21.088 1.00 14.97 C ATOM 942 C THR A 101 28.914 1.931 19.702 1.00 13.81 C ATOM 943 O THR A 101 28.923 0.850 19.192 1.00 14.97 O ATOM 944 CB THR A 101 26.840 1.891 21.026 1.00 15.30 C ATOM 945 OG1 THR A 101 26.269 2.801 20.085 1.00 18.03 O ATOM 946 CG2 THR A 101 26.261 2.135 22.298 1.00 14.63 C ATOM 947 HG1 THR A 101 26.466 3.730 20.365 1.00 0.00 H ATOM 948 H THR A 101 28.059 4.126 21.833 1.00 0.00 H ATOM 949 N GLY A 102 29.413 3.001 19.076 1.00 13.59 N ATOM 950 CA GLY A 102 30.199 2.907 17.808 1.00 14.72 C ATOM 951 C GLY A 102 31.725 2.796 17.963 1.00 13.54 C ATOM 952 O GLY A 102 32.462 2.909 16.963 1.00 12.82 O ATOM 953 H GLY A 102 29.247 3.941 19.489 1.00 0.00 H ATOM 954 N LYS A 103 32.216 2.525 19.185 1.00 12.77 N ATOM 955 CA LYS A 103 33.669 2.466 19.400 1.00 12.13 C ATOM 956 C LYS A 103 34.274 1.330 18.602 1.00 12.70 C ATOM 957 O LYS A 103 33.676 0.278 18.479 1.00 14.11 O ATOM 958 CB LYS A 103 34.004 2.351 20.886 1.00 12.37 C ATOM 959 CG LYS A 103 33.833 1.005 21.500 1.00 12.78 C ATOM 960 CD LYS A 103 34.146 1.001 22.966 1.00 13.32 C ATOM 961 CE LYS A 103 33.253 1.725 23.935 1.00 14.86 C ATOM 962 NZ LYS A 103 31.924 1.069 24.063 1.00 14.47 N ATOM 963 HZ1 LYS A 103 31.455 1.055 23.135 1.00 0.00 H ATOM 964 HZ2 LYS A 103 32.051 0.094 24.403 1.00 0.00 H ATOM 965 HZ3 LYS A 103 31.340 1.600 24.740 1.00 0.00 H ATOM 966 H LYS A 103 31.567 2.357 19.980 1.00 0.00 H ATOM 967 N ALA A 104 35.425 1.560 18.012 1.00 12.20 N ATOM 968 CA ALA A 104 36.123 0.538 17.262 1.00 10.61 C ATOM 969 C ALA A 104 37.517 0.188 17.859 1.00 11.42 C ATOM 970 O ALA A 104 38.171 -0.748 17.378 1.00 12.63 O ATOM 971 CB ALA A 104 36.232 0.962 15.782 1.00 12.54 C ATOM 972 H ALA A 104 35.848 2.507 18.086 1.00 0.00 H ATOM 973 N ALA A 105 37.986 0.958 18.848 1.00 10.61 N ATOM 974 CA ALA A 105 39.317 0.779 19.455 1.00 10.74 C ATOM 975 C ALA A 105 39.319 1.477 20.795 1.00 10.15 C ATOM 976 O ALA A 105 38.506 2.412 21.021 1.00 12.28 O ATOM 977 CB ALA A 105 40.422 1.339 18.616 1.00 10.94 C ATOM 978 H ALA A 105 37.379 1.723 19.207 1.00 0.00 H ATOM 979 N LYS A 106 40.270 1.056 21.621 1.00 11.25 N ATOM 980 CA LYS A 106 40.542 1.702 22.896 1.00 12.44 C ATOM 981 C LYS A 106 42.081 1.944 22.970 1.00 12.68 C ATOM 982 O LYS A 106 42.825 1.560 22.092 1.00 14.04 O ATOM 983 CB LYS A 106 40.078 0.837 24.117 1.00 15.40 C ATOM 984 CG LYS A 106 38.569 0.762 24.232 1.00 17.20 C ATOM 985 CD LYS A 106 38.204 -0.327 25.241 1.00 19.14 C ATOM 986 CE LYS A 106 36.809 -0.221 25.747 1.00 19.83 C ATOM 987 NZ LYS A 106 36.617 -1.086 26.903 1.00 19.29 N ATOM 988 HZ1 LYS A 106 36.804 -2.072 26.631 1.00 0.00 H ATOM 989 HZ2 LYS A 106 37.273 -0.803 27.659 1.00 0.00 H ATOM 990 HZ3 LYS A 106 35.638 -0.998 27.241 1.00 0.00 H ATOM 991 H LYS A 106 40.843 0.233 21.346 1.00 0.00 H ATOM 992 N CYS A 107 42.519 2.560 24.044 1.00 12.78 N ATOM 993 CA CYS A 107 43.897 2.886 24.231 1.00 14.26 C ATOM 994 C CYS A 107 44.189 2.792 25.752 1.00 17.52 C ATOM 995 O CYS A 107 43.351 3.232 26.498 1.00 14.34 O ATOM 996 CB CYS A 107 44.052 4.342 23.673 1.00 15.51 C ATOM 997 SG CYS A 107 45.669 4.978 24.002 1.00 16.59 S ATOM 998 H CYS A 107 41.838 2.820 24.785 1.00 0.00 H ATOM 999 N ARG A 108 45.322 2.202 26.169 1.00 19.68 N ATOM 1000 CA ARG A 108 45.684 2.131 27.591 1.00 21.64 C ATOM 1001 C ARG A 108 46.852 3.102 27.942 1.00 23.73 C ATOM 1002 O ARG A 108 47.487 2.978 28.991 1.00 25.17 O ATOM 1003 CB ARG A 108 45.939 0.672 28.047 1.00 21.72 C ATOM 1004 CG ARG A 108 46.358 -0.351 26.977 1.00 21.92 C ATOM 1005 CD ARG A 108 46.951 -1.617 27.591 1.00 21.73 C ATOM 1006 NE ARG A 108 47.615 -1.230 28.811 1.00 20.96 N ATOM 1007 CZ ARG A 108 48.931 -1.084 28.966 1.00 20.97 C ATOM 1008 NH1 ARG A 108 49.362 -0.650 30.125 1.00 21.65 N ATOM 1009 NH2 ARG A 108 49.786 -1.400 28.014 1.00 19.92 N ATOM 1010 HE ARG A 108 47.016 -1.049 29.642 1.00 0.00 H ATOM 1011 HH12 ARG A 108 50.382 -0.523 30.286 1.00 0.00 H ATOM 1012 HH11 ARG A 108 48.685 -0.433 30.884 1.00 0.00 H ATOM 1013 HH22 ARG A 108 50.807 -1.273 28.169 1.00 0.00 H ATOM 1014 HH21 ARG A 108 49.440 -1.776 27.108 1.00 0.00 H ATOM 1015 H ARG A 108 45.962 1.783 25.464 1.00 0.00 H ATOM 1016 N GLY A 109 47.052 4.115 27.090 1.00 20.82 N ATOM 1017 CA GLY A 109 48.069 5.128 27.199 1.00 21.78 C ATOM 1018 C GLY A 109 48.980 5.171 25.997 1.00 21.24 C ATOM 1019 O GLY A 109 48.607 4.767 24.880 1.00 20.65 O ATOM 1020 H GLY A 109 46.412 4.176 26.272 1.00 0.00 H ATOM 1021 N TYR A 110 50.210 5.640 26.226 1.00 19.03 N ATOM 1022 CA TYR A 110 51.104 5.928 25.110 1.00 17.80 C ATOM 1023 C TYR A 110 52.553 5.969 25.582 1.00 17.76 C ATOM 1024 O TYR A 110 52.826 6.119 26.815 1.00 17.18 O ATOM 1025 CB TYR A 110 50.749 7.207 24.346 1.00 17.34 C ATOM 1026 CG TYR A 110 50.907 8.499 25.126 1.00 20.05 C ATOM 1027 CD1 TYR A 110 49.870 9.017 25.898 1.00 21.76 C ATOM 1028 CD2 TYR A 110 52.134 9.213 25.115 1.00 19.33 C ATOM 1029 CE1 TYR A 110 50.023 10.190 26.608 1.00 21.56 C ATOM 1030 CE2 TYR A 110 52.286 10.342 25.874 1.00 19.64 C ATOM 1031 CZ TYR A 110 51.233 10.811 26.619 1.00 20.97 C ATOM 1032 OH TYR A 110 51.346 11.995 27.330 1.00 25.15 O ATOM 1033 HH TYR A 110 51.540 12.737 26.704 1.00 0.00 H ATOM 1034 H TYR A 110 50.531 5.800 27.202 1.00 0.00 H ATOM 1035 N ARG A 111 53.469 5.803 24.643 1.00 17.21 N ATOM 1036 CA ARG A 111 54.920 5.880 24.967 1.00 17.76 C ATOM 1037 C ARG A 111 55.549 6.841 23.972 1.00 19.25 C ATOM 1038 O ARG A 111 55.116 6.856 22.833 1.00 17.17 O ATOM 1039 CB ARG A 111 55.519 4.514 24.796 1.00 21.59 C ATOM 1040 CG ARG A 111 55.025 3.390 25.733 1.00 27.39 C ATOM 1041 CD ARG A 111 55.625 3.454 27.125 1.00 35.51 C ATOM 1042 NE ARG A 111 57.092 3.529 27.119 1.00 43.51 N ATOM 1043 CZ ARG A 111 57.843 3.869 28.174 1.00 50.35 C ATOM 1044 NH1 ARG A 111 57.281 4.175 29.350 1.00 53.33 N ATOM 1045 NH2 ARG A 111 59.167 3.912 28.054 1.00 51.06 N ATOM 1046 HE ARG A 111 57.583 3.301 26.231 1.00 0.00 H ATOM 1047 HH12 ARG A 111 57.879 4.437 30.160 1.00 0.00 H ATOM 1048 HH11 ARG A 111 56.246 4.151 29.454 1.00 0.00 H ATOM 1049 HH22 ARG A 111 59.755 4.176 28.870 1.00 0.00 H ATOM 1050 HH21 ARG A 111 59.614 3.682 27.144 1.00 0.00 H ATOM 1051 H ARG A 111 53.172 5.616 23.664 1.00 0.00 H ATOM 1052 N GLU A 112 56.506 7.658 24.412 1.00 18.73 N ATOM 1053 CA GLU A 112 57.232 8.589 23.563 1.00 19.59 C ATOM 1054 C GLU A 112 58.644 8.066 23.259 1.00 21.38 C ATOM 1055 O GLU A 112 59.299 7.413 24.106 1.00 19.89 O ATOM 1056 CB GLU A 112 57.241 9.970 24.201 1.00 21.30 C ATOM 1057 CG GLU A 112 55.861 10.556 24.337 1.00 22.01 C ATOM 1058 CD GLU A 112 55.804 11.838 25.141 1.00 26.96 C ATOM 1059 OE1 GLU A 112 55.974 11.772 26.361 1.00 36.22 O ATOM 1060 OE2 GLU A 112 55.599 12.908 24.596 1.00 26.63 O ATOM 1061 H GLU A 112 56.748 7.628 25.423 1.00 0.00 H ATOM 1062 N ILE A 113 59.126 8.273 22.022 1.00 18.31 N ATOM 1063 CA ILE A 113 60.486 7.834 21.654 1.00 20.02 C ATOM 1064 C ILE A 113 61.463 8.888 22.177 1.00 18.84 C ATOM 1065 O ILE A 113 61.188 10.127 22.049 1.00 16.54 O ATOM 1066 CB ILE A 113 60.638 7.684 20.084 1.00 20.67 C ATOM 1067 CG1 ILE A 113 59.924 6.420 19.622 1.00 22.07 C ATOM 1068 CG2 ILE A 113 62.094 7.710 19.648 1.00 21.87 C ATOM 1069 CD1 ILE A 113 58.457 6.443 19.854 1.00 24.72 C ATOM 1070 H ILE A 113 58.532 8.749 21.314 1.00 0.00 H ATOM 1071 N PRO A 114 62.591 8.441 22.783 1.00 20.25 N ATOM 1072 CA PRO A 114 63.591 9.437 23.190 1.00 23.29 C ATOM 1073 C PRO A 114 63.924 10.442 22.078 1.00 23.13 C ATOM 1074 O PRO A 114 64.243 10.026 20.929 1.00 23.22 O ATOM 1075 CB PRO A 114 64.818 8.588 23.532 1.00 25.47 C ATOM 1076 CG PRO A 114 64.228 7.296 24.022 1.00 23.70 C ATOM 1077 CD PRO A 114 63.030 7.066 23.116 1.00 22.84 C ATOM 1078 N GLU A 115 63.841 11.729 22.410 1.00 23.20 N ATOM 1079 CA GLU A 115 64.013 12.824 21.447 1.00 25.15 C ATOM 1080 C GLU A 115 65.305 12.717 20.633 1.00 24.90 C ATOM 1081 O GLU A 115 66.402 12.612 21.192 1.00 23.83 O ATOM 1082 CB GLU A 115 63.926 14.188 22.128 1.00 26.90 C ATOM 1083 CG GLU A 115 64.102 15.380 21.180 1.00 32.42 C ATOM 1084 CD GLU A 115 63.974 16.755 21.836 1.00 38.09 C ATOM 1085 OE1 GLU A 115 64.053 16.849 23.067 1.00 42.41 O ATOM 1086 OE2 GLU A 115 63.828 17.759 21.098 1.00 39.76 O ATOM 1087 H GLU A 115 63.644 11.971 23.402 1.00 0.00 H ATOM 1088 N GLY A 116 65.170 12.705 19.301 1.00 24.17 N ATOM 1089 CA GLY A 116 66.304 12.762 18.371 1.00 22.29 C ATOM 1090 C GLY A 116 66.857 11.389 18.065 1.00 23.59 C ATOM 1091 O GLY A 116 67.726 11.268 17.213 1.00 27.34 O ATOM 1092 H GLY A 116 64.210 12.652 18.904 1.00 0.00 H ATOM 1093 N ASN A 117 66.369 10.346 18.747 1.00 20.68 N ATOM 1094 CA ASN A 117 67.013 9.056 18.670 1.00 21.72 C ATOM 1095 C ASN A 117 66.437 8.176 17.595 1.00 21.52 C ATOM 1096 O ASN A 117 65.397 7.516 17.828 1.00 19.35 O ATOM 1097 CB ASN A 117 66.931 8.390 20.034 1.00 22.72 C ATOM 1098 CG ASN A 117 67.854 7.203 20.160 1.00 23.97 C ATOM 1099 OD1 ASN A 117 68.222 6.515 19.163 1.00 23.24 O ATOM 1100 ND2 ASN A 117 68.229 6.936 21.404 1.00 26.80 N ATOM 1101 HD22 ASN A 117 67.897 7.534 22.187 1.00 0.00 H ATOM 1102 HD21 ASN A 117 68.855 6.128 21.596 1.00 0.00 H ATOM 1103 H ASN A 117 65.520 10.465 19.336 1.00 0.00 H ATOM 1104 N GLU A 118 67.106 8.138 16.421 1.00 20.41 N ATOM 1105 CA GLU A 118 66.577 7.382 15.308 1.00 20.53 C ATOM 1106 C GLU A 118 66.737 5.897 15.491 1.00 21.51 C ATOM 1107 O GLU A 118 65.944 5.107 14.959 1.00 17.97 O ATOM 1108 CB GLU A 118 67.185 7.824 13.998 1.00 20.77 C ATOM 1109 CG GLU A 118 66.659 9.146 13.476 1.00 21.94 C ATOM 1110 CD GLU A 118 67.217 9.479 12.113 1.00 24.01 C ATOM 1111 OE1 GLU A 118 68.323 10.096 12.096 1.00 23.31 O ATOM 1112 OE2 GLU A 118 66.573 9.143 11.073 1.00 20.13 O ATOM 1113 H GLU A 118 68.003 8.654 16.318 1.00 0.00 H ATOM 1114 N LYS A 119 67.748 5.487 16.295 1.00 19.02 N ATOM 1115 CA LYS A 119 67.896 4.073 16.599 1.00 20.36 C ATOM 1116 C LYS A 119 66.739 3.534 17.465 1.00 17.67 C ATOM 1117 O LYS A 119 66.267 2.423 17.260 1.00 18.68 O ATOM 1118 CB LYS A 119 69.278 3.817 17.267 1.00 24.20 C ATOM 1119 CG LYS A 119 69.629 2.336 17.230 1.00 29.32 C ATOM 1120 CD LYS A 119 70.981 2.018 17.911 1.00 31.47 C ATOM 1121 CE LYS A 119 72.204 2.372 17.075 1.00 34.15 C ATOM 1122 NZ LYS A 119 73.359 1.521 17.554 1.00 33.92 N ATOM 1123 HZ1 LYS A 119 73.540 1.719 18.559 1.00 0.00 H ATOM 1124 HZ2 LYS A 119 73.120 0.516 17.435 1.00 0.00 H ATOM 1125 HZ3 LYS A 119 74.208 1.745 16.997 1.00 0.00 H ATOM 1126 H LYS A 119 68.414 6.180 16.692 1.00 0.00 H ATOM 1127 N ALA A 120 66.305 4.325 18.447 1.00 16.30 N ATOM 1128 CA ALA A 120 65.135 4.026 19.259 1.00 16.98 C ATOM 1129 C ALA A 120 63.829 4.074 18.450 1.00 15.81 C ATOM 1130 O ALA A 120 62.923 3.246 18.642 1.00 16.93 O ATOM 1131 CB ALA A 120 65.058 5.034 20.415 1.00 15.17 C ATOM 1132 H ALA A 120 66.830 5.201 18.643 1.00 0.00 H ATOM 1133 N LEU A 121 63.757 5.023 17.515 1.00 17.24 N ATOM 1134 CA LEU A 121 62.611 5.052 16.584 1.00 15.07 C ATOM 1135 C LEU A 121 62.571 3.783 15.728 1.00 16.44 C ATOM 1136 O LEU A 121 61.490 3.204 15.538 1.00 15.50 O ATOM 1137 CB LEU A 121 62.587 6.339 15.748 1.00 15.94 C ATOM 1138 CG LEU A 121 61.395 6.436 14.739 1.00 14.92 C ATOM 1139 CD1 LEU A 121 60.082 6.343 15.519 1.00 16.04 C ATOM 1140 CD2 LEU A 121 61.514 7.706 13.921 1.00 16.39 C ATOM 1141 H LEU A 121 64.506 5.741 17.442 1.00 0.00 H ATOM 1142 N LYS A 122 63.725 3.334 15.227 1.00 15.77 N ATOM 1143 CA LYS A 122 63.801 2.138 14.479 1.00 17.29 C ATOM 1144 C LYS A 122 63.322 0.958 15.324 1.00 17.03 C ATOM 1145 O LYS A 122 62.542 0.164 14.846 1.00 16.56 O ATOM 1146 CB LYS A 122 65.199 1.896 13.998 1.00 16.06 C ATOM 1147 CG LYS A 122 65.361 0.683 13.089 1.00 19.23 C ATOM 1148 CD LYS A 122 66.836 0.371 12.886 1.00 20.59 C ATOM 1149 CE LYS A 122 66.954 -0.947 12.156 1.00 21.69 C ATOM 1150 NZ LYS A 122 68.373 -1.291 11.844 1.00 26.66 N ATOM 1151 HZ1 LYS A 122 68.784 -0.549 11.242 1.00 0.00 H ATOM 1152 HZ2 LYS A 122 68.914 -1.361 12.729 1.00 0.00 H ATOM 1153 HZ3 LYS A 122 68.406 -2.202 11.344 1.00 0.00 H ATOM 1154 H LYS A 122 64.594 3.881 15.393 1.00 0.00 H ATOM 1155 N ARG A 123 63.849 0.828 16.535 1.00 18.92 N ATOM 1156 CA ARG A 123 63.426 -0.237 17.430 1.00 19.60 C ATOM 1157 C ARG A 123 61.915 -0.164 17.705 1.00 17.03 C ATOM 1158 O ARG A 123 61.222 -1.183 17.598 1.00 17.37 O ATOM 1159 CB ARG A 123 64.252 -0.220 18.728 1.00 20.85 C ATOM 1160 CG ARG A 123 63.718 -1.151 19.804 1.00 23.78 C ATOM 1161 CD ARG A 123 64.612 -1.037 21.069 1.00 27.40 C ATOM 1162 NE ARG A 123 64.044 -1.802 22.197 1.00 26.81 N ATOM 1163 CZ ARG A 123 64.288 -3.090 22.418 1.00 31.47 C ATOM 1164 NH1 ARG A 123 65.112 -3.797 21.618 1.00 27.00 N ATOM 1165 NH2 ARG A 123 63.697 -3.671 23.465 1.00 33.39 N ATOM 1166 HE ARG A 123 63.415 -1.303 22.858 1.00 0.00 H ATOM 1167 HH12 ARG A 123 65.287 -4.804 21.811 1.00 0.00 H ATOM 1168 HH11 ARG A 123 65.572 -3.335 20.808 1.00 0.00 H ATOM 1169 HH22 ARG A 123 63.867 -4.677 23.666 1.00 0.00 H ATOM 1170 HH21 ARG A 123 63.067 -3.117 24.080 1.00 0.00 H ATOM 1171 H ARG A 123 64.578 1.500 16.850 1.00 0.00 H ATOM 1172 N ALA A 124 61.380 1.016 17.984 1.00 17.94 N ATOM 1173 CA ALA A 124 59.895 1.165 18.155 1.00 16.73 C ATOM 1174 C ALA A 124 59.114 0.690 16.957 1.00 16.49 C ATOM 1175 O ALA A 124 58.180 -0.130 17.103 1.00 15.09 O ATOM 1176 CB ALA A 124 59.514 2.572 18.530 1.00 17.87 C ATOM 1177 H ALA A 124 61.995 1.848 18.086 1.00 0.00 H ATOM 1178 N VAL A 125 59.499 1.134 15.755 1.00 15.14 N ATOM 1179 CA VAL A 125 58.798 0.670 14.582 1.00 16.07 C ATOM 1180 C VAL A 125 58.849 -0.843 14.434 1.00 14.91 C ATOM 1181 O VAL A 125 57.814 -1.488 14.193 1.00 15.35 O ATOM 1182 CB VAL A 125 59.292 1.432 13.349 1.00 16.04 C ATOM 1183 CG1 VAL A 125 58.672 0.908 12.073 1.00 18.66 C ATOM 1184 CG2 VAL A 125 58.944 2.901 13.473 1.00 16.56 C ATOM 1185 H VAL A 125 60.291 1.803 15.667 1.00 0.00 H ATOM 1186 N ALA A 126 60.046 -1.412 14.595 1.00 14.72 N ATOM 1187 CA ALA A 126 60.224 -2.842 14.499 1.00 15.83 C ATOM 1188 C ALA A 126 59.346 -3.622 15.487 1.00 14.91 C ATOM 1189 O ALA A 126 58.734 -4.600 15.099 1.00 17.54 O ATOM 1190 CB ALA A 126 61.669 -3.188 14.679 1.00 16.55 C ATOM 1191 H ALA A 126 60.871 -0.811 14.794 1.00 0.00 H ATOM 1192 N ARG A 127 59.249 -3.171 16.717 1.00 16.36 N ATOM 1193 CA ARG A 127 58.635 -3.967 17.763 1.00 18.42 C ATOM 1194 C ARG A 127 57.130 -3.665 18.000 1.00 20.62 C ATOM 1195 O ARG A 127 56.442 -4.480 18.631 1.00 20.67 O ATOM 1196 CB ARG A 127 59.349 -3.732 19.087 1.00 19.70 C ATOM 1197 CG ARG A 127 60.818 -4.196 19.081 1.00 20.76 C ATOM 1198 CD ARG A 127 61.425 -4.036 20.473 1.00 21.07 C ATOM 1199 NE ARG A 127 60.967 -5.125 21.361 1.00 24.44 N ATOM 1200 CZ ARG A 127 61.475 -6.366 21.337 1.00 24.87 C ATOM 1201 NH1 ARG A 127 62.487 -6.670 20.520 1.00 25.70 N ATOM 1202 NH2 ARG A 127 60.970 -7.316 22.132 1.00 28.05 N ATOM 1203 HE ARG A 127 60.209 -4.918 22.042 1.00 0.00 H ATOM 1204 HH12 ARG A 127 62.874 -7.635 20.509 1.00 0.00 H ATOM 1205 HH11 ARG A 127 62.888 -5.942 19.895 1.00 0.00 H ATOM 1206 HH22 ARG A 127 61.367 -8.277 22.110 1.00 0.00 H ATOM 1207 HH21 ARG A 127 60.181 -7.093 22.772 1.00 0.00 H ATOM 1208 H ARG A 127 59.619 -2.226 16.945 1.00 0.00 H ATOM 1209 N VAL A 128 56.686 -2.485 17.567 1.00 19.29 N ATOM 1210 CA VAL A 128 55.337 -1.945 17.914 1.00 19.33 C ATOM 1211 C VAL A 128 54.461 -2.035 16.690 1.00 17.95 C ATOM 1212 O VAL A 128 53.335 -2.565 16.735 1.00 17.71 O ATOM 1213 CB VAL A 128 55.420 -0.481 18.422 1.00 20.24 C ATOM 1214 CG1 VAL A 128 54.092 0.296 18.300 1.00 22.16 C ATOM 1215 CG2 VAL A 128 55.972 -0.456 19.862 1.00 24.06 C ATOM 1216 H VAL A 128 57.308 -1.914 16.959 1.00 0.00 H ATOM 1217 N GLY A 129 54.970 -1.479 15.580 1.00 17.10 N ATOM 1218 CA GLY A 129 54.119 -1.145 14.463 1.00 15.72 C ATOM 1219 C GLY A 129 54.322 0.302 14.047 1.00 13.43 C ATOM 1220 O GLY A 129 55.236 0.947 14.489 1.00 13.82 O ATOM 1221 H GLY A 129 55.990 -1.286 15.524 1.00 0.00 H ATOM 1222 N PRO A 130 53.365 0.844 13.279 1.00 11.39 N ATOM 1223 CA PRO A 130 53.445 2.256 12.870 1.00 10.35 C ATOM 1224 C PRO A 130 53.494 3.217 14.078 1.00 10.51 C ATOM 1225 O PRO A 130 52.780 3.101 15.044 1.00 11.72 O ATOM 1226 CB PRO A 130 52.156 2.436 12.060 1.00 11.12 C ATOM 1227 CG PRO A 130 51.913 1.108 11.454 1.00 11.63 C ATOM 1228 CD PRO A 130 52.431 0.087 12.437 1.00 11.33 C ATOM 1229 N VAL A 131 54.368 4.222 13.943 1.00 9.63 N ATOM 1230 CA VAL A 131 54.578 5.218 15.010 1.00 9.19 C ATOM 1231 C VAL A 131 54.275 6.609 14.506 1.00 8.24 C ATOM 1232 O VAL A 131 54.666 6.955 13.408 1.00 9.97 O ATOM 1233 CB VAL A 131 56.063 5.183 15.471 1.00 9.43 C ATOM 1234 CG1 VAL A 131 56.263 6.266 16.482 1.00 9.53 C ATOM 1235 CG2 VAL A 131 56.441 3.802 16.004 1.00 10.01 C ATOM 1236 H VAL A 131 54.914 4.303 13.061 1.00 0.00 H ATOM 1237 N SER A 132 53.563 7.414 15.293 1.00 8.31 N ATOM 1238 CA SER A 132 53.314 8.791 14.921 1.00 9.02 C ATOM 1239 C SER A 132 54.573 9.616 15.020 1.00 9.77 C ATOM 1240 O SER A 132 55.291 9.481 15.965 1.00 11.14 O ATOM 1241 CB SER A 132 52.276 9.391 15.891 1.00 8.82 C ATOM 1242 OG SER A 132 50.999 8.736 15.741 1.00 10.05 O ATOM 1243 HG SER A 132 50.676 8.854 14.813 1.00 0.00 H ATOM 1244 H SER A 132 53.180 7.048 16.188 1.00 0.00 H ATOM 1245 N VAL A 133 54.775 10.503 14.067 1.00 10.97 N ATOM 1246 CA VAL A 133 55.957 11.354 14.075 1.00 11.73 C ATOM 1247 C VAL A 133 55.564 12.737 13.580 1.00 10.89 C ATOM 1248 O VAL A 133 54.600 12.924 12.866 1.00 9.81 O ATOM 1249 CB VAL A 133 57.100 10.780 13.270 1.00 12.02 C ATOM 1250 CG1 VAL A 133 57.569 9.456 13.847 1.00 12.45 C ATOM 1251 CG2 VAL A 133 56.698 10.629 11.782 1.00 12.20 C ATOM 1252 H VAL A 133 54.081 10.597 13.298 1.00 0.00 H ATOM 1253 N ALA A 134 56.339 13.723 14.003 1.00 10.19 N ATOM 1254 CA ALA A 134 56.239 15.014 13.467 1.00 10.80 C ATOM 1255 C ALA A 134 57.517 15.447 12.728 1.00 10.95 C ATOM 1256 O ALA A 134 58.666 14.978 13.008 1.00 11.10 O ATOM 1257 CB ALA A 134 55.965 16.008 14.588 1.00 9.90 C ATOM 1258 H ALA A 134 57.038 13.535 14.750 1.00 0.00 H ATOM 1259 N ILE A 135 57.285 16.303 11.746 1.00 12.21 N ATOM 1260 CA ILE A 135 58.350 16.719 10.856 1.00 13.04 C ATOM 1261 C ILE A 135 58.244 18.182 10.474 1.00 13.55 C ATOM 1262 O ILE A 135 57.223 18.782 10.617 1.00 13.19 O ATOM 1263 CB ILE A 135 58.402 15.906 9.532 1.00 12.90 C ATOM 1264 CG1 ILE A 135 57.038 15.937 8.833 1.00 12.75 C ATOM 1265 CG2 ILE A 135 58.858 14.480 9.783 1.00 14.20 C ATOM 1266 CD1 ILE A 135 57.129 15.393 7.421 1.00 12.80 C ATOM 1267 H ILE A 135 56.326 16.682 11.611 1.00 0.00 H ATOM 1268 N ASP A 136 59.324 18.718 9.869 1.00 14.94 N ATOM 1269 CA ASP A 136 59.211 19.951 9.095 1.00 15.96 C ATOM 1270 C ASP A 136 58.809 19.568 7.676 1.00 15.04 C ATOM 1271 O ASP A 136 59.598 18.958 6.946 1.00 14.89 O ATOM 1272 CB ASP A 136 60.582 20.684 9.073 1.00 15.14 C ATOM 1273 CG ASP A 136 60.561 21.972 8.293 1.00 17.64 C ATOM 1274 OD1 ASP A 136 59.496 22.441 7.829 1.00 18.00 O ATOM 1275 OD2 ASP A 136 61.677 22.504 8.046 1.00 20.13 O ATOM 1276 H ASP A 136 60.248 18.248 9.955 1.00 0.00 H ATOM 1277 N ALA A 137 57.600 19.943 7.302 1.00 17.05 N ATOM 1278 CA ALA A 137 57.073 19.691 5.990 1.00 15.28 C ATOM 1279 C ALA A 137 56.851 20.990 5.160 1.00 15.87 C ATOM 1280 O ALA A 137 56.110 20.998 4.148 1.00 15.06 O ATOM 1281 CB ALA A 137 55.815 18.855 6.126 1.00 15.98 C ATOM 1282 H ALA A 137 57.001 20.444 7.989 1.00 0.00 H ATOM 1283 N SER A 138 57.542 22.049 5.598 1.00 16.69 N ATOM 1284 CA SER A 138 57.375 23.389 5.046 1.00 16.00 C ATOM 1285 C SER A 138 58.067 23.634 3.731 1.00 16.14 C ATOM 1286 O SER A 138 57.705 24.612 3.072 1.00 15.65 O ATOM 1287 CB SER A 138 57.822 24.495 6.017 1.00 15.90 C ATOM 1288 OG SER A 138 59.222 24.463 6.233 1.00 17.38 O ATOM 1289 HG SER A 138 59.475 23.587 6.618 1.00 0.00 H ATOM 1290 H SER A 138 58.229 21.911 6.366 1.00 0.00 H ATOM 1291 N LEU A 139 58.996 22.771 3.332 1.00 15.86 N ATOM 1292 CA LEU A 139 59.830 23.075 2.138 1.00 16.44 C ATOM 1293 C LEU A 139 59.095 22.683 0.879 1.00 16.15 C ATOM 1294 O LEU A 139 58.428 21.644 0.821 1.00 15.16 O ATOM 1295 CB LEU A 139 61.125 22.310 2.186 1.00 16.72 C ATOM 1296 CG LEU A 139 62.180 22.662 3.200 1.00 17.71 C ATOM 1297 CD1 LEU A 139 63.358 21.712 3.064 1.00 18.85 C ATOM 1298 CD2 LEU A 139 62.538 24.151 3.138 1.00 19.72 C ATOM 1299 H LEU A 139 59.140 21.883 3.854 1.00 0.00 H ATOM 1300 N THR A 140 59.197 23.513 -0.159 1.00 15.04 N ATOM 1301 CA THR A 140 58.766 23.112 -1.487 1.00 15.16 C ATOM 1302 C THR A 140 59.260 21.759 -1.949 1.00 14.64 C ATOM 1303 O THR A 140 58.548 21.010 -2.624 1.00 14.92 O ATOM 1304 CB THR A 140 59.147 24.215 -2.499 1.00 16.91 C ATOM 1305 OG1 THR A 140 58.479 25.383 -2.061 1.00 21.29 O ATOM 1306 CG2 THR A 140 58.640 23.917 -3.785 1.00 17.48 C ATOM 1307 HG1 THR A 140 58.782 25.612 -1.147 1.00 0.00 H ATOM 1308 H THR A 140 59.592 24.464 -0.016 1.00 0.00 H ATOM 1309 N SER A 141 60.465 21.400 -1.528 1.00 12.80 N ATOM 1310 CA SER A 141 61.060 20.120 -2.027 1.00 13.20 C ATOM 1311 C SER A 141 60.299 18.934 -1.416 1.00 12.61 C ATOM 1312 O SER A 141 60.084 17.909 -2.011 1.00 12.87 O ATOM 1313 CB SER A 141 62.494 20.014 -1.625 1.00 13.55 C ATOM 1314 OG SER A 141 62.683 20.305 -0.251 1.00 14.89 O ATOM 1315 HG SER A 141 63.644 20.224 -0.027 1.00 0.00 H ATOM 1316 H SER A 141 60.990 22.000 -0.860 1.00 0.00 H ATOM 1317 N PHE A 142 59.840 19.113 -0.185 1.00 12.88 N ATOM 1318 CA PHE A 142 58.937 18.084 0.427 1.00 13.52 C ATOM 1319 C PHE A 142 57.577 18.080 -0.232 1.00 13.71 C ATOM 1320 O PHE A 142 57.038 17.040 -0.615 1.00 15.09 O ATOM 1321 CB PHE A 142 58.810 18.375 1.925 1.00 14.28 C ATOM 1322 CG PHE A 142 57.920 17.393 2.683 1.00 13.55 C ATOM 1323 CD1 PHE A 142 56.535 17.541 2.720 1.00 15.00 C ATOM 1324 CD2 PHE A 142 58.489 16.263 3.273 1.00 14.53 C ATOM 1325 CE1 PHE A 142 55.712 16.606 3.382 1.00 12.47 C ATOM 1326 CE2 PHE A 142 57.669 15.341 3.931 1.00 13.45 C ATOM 1327 CZ PHE A 142 56.289 15.502 3.933 1.00 12.21 C ATOM 1328 H PHE A 142 60.105 19.963 0.353 1.00 0.00 H ATOM 1329 N GLN A 143 57.010 19.259 -0.400 1.00 12.20 N ATOM 1330 CA GLN A 143 55.669 19.305 -0.910 1.00 12.73 C ATOM 1331 C GLN A 143 55.577 18.696 -2.320 1.00 13.10 C ATOM 1332 O GLN A 143 54.580 18.152 -2.699 1.00 12.76 O ATOM 1333 CB GLN A 143 55.117 20.714 -0.781 1.00 13.43 C ATOM 1334 CG GLN A 143 55.002 21.046 0.711 1.00 13.77 C ATOM 1335 CD GLN A 143 54.688 22.496 1.019 1.00 13.93 C ATOM 1336 OE1 GLN A 143 54.159 23.229 0.172 1.00 13.99 O ATOM 1337 NE2 GLN A 143 55.027 22.922 2.218 1.00 14.71 N ATOM 1338 HE22 GLN A 143 55.469 22.269 2.896 1.00 0.00 H ATOM 1339 HE21 GLN A 143 54.853 23.911 2.487 1.00 0.00 H ATOM 1340 H GLN A 143 57.522 20.134 -0.169 1.00 0.00 H ATOM 1341 N PHE A 144 56.625 18.809 -3.073 1.00 12.68 N ATOM 1342 CA PHE A 144 56.602 18.282 -4.418 1.00 12.57 C ATOM 1343 C PHE A 144 57.422 17.032 -4.565 1.00 15.48 C ATOM 1344 O PHE A 144 57.727 16.652 -5.643 1.00 13.13 O ATOM 1345 CB PHE A 144 57.094 19.383 -5.387 1.00 14.24 C ATOM 1346 CG PHE A 144 56.062 20.464 -5.602 1.00 13.93 C ATOM 1347 CD1 PHE A 144 55.087 20.293 -6.537 1.00 15.41 C ATOM 1348 CD2 PHE A 144 56.038 21.600 -4.800 1.00 14.84 C ATOM 1349 CE1 PHE A 144 54.056 21.223 -6.676 1.00 15.88 C ATOM 1350 CE2 PHE A 144 55.039 22.578 -4.980 1.00 15.63 C ATOM 1351 CZ PHE A 144 54.080 22.385 -5.940 1.00 15.28 C ATOM 1352 H PHE A 144 57.480 19.277 -2.711 1.00 0.00 H ATOM 1353 N TYR A 145 57.692 16.333 -3.462 1.00 13.71 N ATOM 1354 CA TYR A 145 58.250 14.959 -3.568 1.00 14.06 C ATOM 1355 C TYR A 145 57.524 14.014 -4.538 1.00 15.14 C ATOM 1356 O TYR A 145 56.285 13.967 -4.612 1.00 13.52 O ATOM 1357 CB TYR A 145 58.313 14.390 -2.164 1.00 13.08 C ATOM 1358 CG TYR A 145 58.702 12.896 -2.177 1.00 12.20 C ATOM 1359 CD1 TYR A 145 60.028 12.529 -2.125 1.00 14.30 C ATOM 1360 CD2 TYR A 145 57.753 11.900 -2.247 1.00 11.91 C ATOM 1361 CE1 TYR A 145 60.414 11.196 -2.171 1.00 14.13 C ATOM 1362 CE2 TYR A 145 58.134 10.583 -2.259 1.00 12.69 C ATOM 1363 CZ TYR A 145 59.494 10.257 -2.263 1.00 14.43 C ATOM 1364 OH TYR A 145 59.868 8.931 -2.219 1.00 15.20 O ATOM 1365 HH TYR A 145 60.856 8.867 -2.228 1.00 0.00 H ATOM 1366 H TYR A 145 57.512 16.750 -2.526 1.00 0.00 H ATOM 1367 N SER A 146 58.277 13.268 -5.360 1.00 15.81 N ATOM 1368 CA SER A 146 57.654 12.244 -6.146 1.00 18.43 C ATOM 1369 C SER A 146 58.362 10.871 -6.036 1.00 17.70 C ATOM 1370 O SER A 146 57.693 9.871 -5.992 1.00 18.37 O ATOM 1371 CB SER A 146 57.517 12.703 -7.617 1.00 22.20 C ATOM 1372 OG SER A 146 58.781 12.822 -8.145 1.00 27.33 O ATOM 1373 HG SER A 146 58.717 13.116 -9.088 1.00 0.00 H ATOM 1374 H SER A 146 59.302 13.431 -5.426 1.00 0.00 H ATOM 1375 N LYS A 147 59.680 10.847 -5.887 1.00 19.32 N ATOM 1376 CA LYS A 147 60.439 9.589 -5.903 1.00 21.90 C ATOM 1377 C LYS A 147 61.730 9.648 -5.141 1.00 19.28 C ATOM 1378 O LYS A 147 62.265 10.692 -4.897 1.00 18.49 O ATOM 1379 CB LYS A 147 60.768 9.203 -7.345 1.00 28.32 C ATOM 1380 CG LYS A 147 59.679 8.405 -7.999 1.00 33.68 C ATOM 1381 CD LYS A 147 60.035 8.159 -9.439 1.00 46.44 C ATOM 1382 CE LYS A 147 59.131 7.087 -10.036 1.00 53.86 C ATOM 1383 NZ LYS A 147 59.509 6.888 -11.466 1.00 55.04 N ATOM 1384 HZ1 LYS A 147 59.388 7.782 -11.983 1.00 0.00 H ATOM 1385 HZ2 LYS A 147 60.502 6.586 -11.522 1.00 0.00 H ATOM 1386 HZ3 LYS A 147 58.899 6.158 -11.886 1.00 0.00 H ATOM 1387 H LYS A 147 60.190 11.744 -5.755 1.00 0.00 H ATOM 1388 N GLY A 148 62.230 8.475 -4.749 1.00 20.50 N ATOM 1389 CA GLY A 148 63.524 8.394 -4.106 1.00 17.91 C ATOM 1390 C GLY A 148 63.491 8.604 -2.645 1.00 18.82 C ATOM 1391 O GLY A 148 62.416 8.625 -2.078 1.00 19.37 O ATOM 1392 H GLY A 148 61.682 7.606 -4.908 1.00 0.00 H ATOM 1393 N VAL A 149 64.660 8.768 -2.052 1.00 18.58 N ATOM 1394 CA VAL A 149 64.793 9.059 -0.631 1.00 16.85 C ATOM 1395 C VAL A 149 65.005 10.556 -0.469 1.00 18.69 C ATOM 1396 O VAL A 149 66.023 11.130 -0.887 1.00 17.59 O ATOM 1397 CB VAL A 149 65.878 8.194 0.045 1.00 17.53 C ATOM 1398 CG1 VAL A 149 66.062 8.601 1.499 1.00 17.86 C ATOM 1399 CG2 VAL A 149 65.514 6.714 -0.087 1.00 18.70 C ATOM 1400 H VAL A 149 65.524 8.686 -2.625 1.00 0.00 H ATOM 1401 N TYR A 150 64.012 11.194 0.158 1.00 17.58 N ATOM 1402 CA TYR A 150 64.003 12.616 0.372 1.00 18.33 C ATOM 1403 C TYR A 150 65.007 13.083 1.442 1.00 19.13 C ATOM 1404 O TYR A 150 65.027 12.558 2.550 1.00 17.62 O ATOM 1405 CB TYR A 150 62.573 13.074 0.738 1.00 16.04 C ATOM 1406 CG TYR A 150 62.481 14.515 1.064 1.00 16.02 C ATOM 1407 CD1 TYR A 150 62.549 15.471 0.058 1.00 16.18 C ATOM 1408 CD2 TYR A 150 62.399 14.954 2.362 1.00 15.65 C ATOM 1409 CE1 TYR A 150 62.493 16.815 0.351 1.00 16.44 C ATOM 1410 CE2 TYR A 150 62.337 16.284 2.655 1.00 15.51 C ATOM 1411 CZ TYR A 150 62.378 17.227 1.620 1.00 15.33 C ATOM 1412 OH TYR A 150 62.368 18.570 1.870 1.00 18.70 O ATOM 1413 HH TYR A 150 62.402 19.064 1.013 1.00 0.00 H ATOM 1414 H TYR A 150 63.207 10.635 0.508 1.00 0.00 H ATOM 1415 N TYR A 151 65.834 14.054 1.070 1.00 18.18 N ATOM 1416 CA TYR A 151 66.793 14.674 1.951 1.00 18.97 C ATOM 1417 C TYR A 151 67.001 16.062 1.440 1.00 17.93 C ATOM 1418 O TYR A 151 67.294 16.217 0.276 1.00 20.42 O ATOM 1419 CB TYR A 151 68.167 13.959 1.985 1.00 20.57 C ATOM 1420 CG TYR A 151 69.103 14.695 2.890 1.00 21.82 C ATOM 1421 CD1 TYR A 151 68.889 14.704 4.268 1.00 22.25 C ATOM 1422 CD2 TYR A 151 70.142 15.463 2.399 1.00 25.00 C ATOM 1423 CE1 TYR A 151 69.693 15.382 5.133 1.00 26.24 C ATOM 1424 CE2 TYR A 151 70.997 16.152 3.257 1.00 27.86 C ATOM 1425 CZ TYR A 151 70.764 16.116 4.632 1.00 28.94 C ATOM 1426 OH TYR A 151 71.574 16.800 5.536 1.00 32.31 O ATOM 1427 HH TYR A 151 71.242 16.647 6.456 1.00 0.00 H ATOM 1428 H TYR A 151 65.787 14.387 0.086 1.00 0.00 H ATOM 1429 N ASP A 152 66.792 17.054 2.303 1.00 19.49 N ATOM 1430 CA ASP A 152 67.096 18.417 2.008 1.00 19.61 C ATOM 1431 C ASP A 152 67.674 19.082 3.228 1.00 22.25 C ATOM 1432 O ASP A 152 67.042 19.148 4.282 1.00 18.34 O ATOM 1433 CB ASP A 152 65.823 19.139 1.535 1.00 21.78 C ATOM 1434 CG ASP A 152 66.082 20.565 1.071 1.00 23.55 C ATOM 1435 OD1 ASP A 152 66.995 21.275 1.578 1.00 21.38 O ATOM 1436 OD2 ASP A 152 65.284 20.987 0.226 1.00 21.78 O ATOM 1437 H ASP A 152 66.389 16.825 3.234 1.00 0.00 H ATOM 1438 N GLU A 153 68.895 19.591 3.105 1.00 21.49 N ATOM 1439 CA GLU A 153 69.603 20.137 4.236 1.00 23.25 C ATOM 1440 C GLU A 153 68.952 21.388 4.820 1.00 22.69 C ATOM 1441 O GLU A 153 69.215 21.715 6.011 1.00 25.11 O ATOM 1442 CB GLU A 153 71.099 20.412 3.844 1.00 27.80 C ATOM 1443 CG GLU A 153 72.077 20.479 5.023 1.00 33.26 C ATOM 1444 CD GLU A 153 73.423 21.183 4.722 1.00 38.66 C ATOM 1445 OE1 GLU A 153 73.737 21.568 3.564 1.00 39.74 O ATOM 1446 OE2 GLU A 153 74.154 21.405 5.704 1.00 46.29 O ATOM 1447 H GLU A 153 69.351 19.596 2.170 1.00 0.00 H ATOM 1448 N SER A 154 68.103 22.066 4.048 1.00 19.44 N ATOM 1449 CA SER A 154 67.444 23.249 4.559 1.00 21.04 C ATOM 1450 C SER A 154 66.237 22.908 5.464 1.00 19.60 C ATOM 1451 O SER A 154 65.678 23.825 6.090 1.00 21.52 O ATOM 1452 CB SER A 154 67.003 24.179 3.434 1.00 21.06 C ATOM 1453 OG SER A 154 66.070 23.544 2.598 1.00 20.77 O ATOM 1454 HG SER A 154 66.481 22.735 2.201 1.00 0.00 H ATOM 1455 H SER A 154 67.914 21.745 3.077 1.00 0.00 H ATOM 1456 N CYS A 155 65.859 21.626 5.546 1.00 19.84 N ATOM 1457 CA CYS A 155 64.799 21.182 6.540 1.00 21.06 C ATOM 1458 C CYS A 155 65.236 21.527 7.951 1.00 21.55 C ATOM 1459 O CYS A 155 66.373 21.292 8.284 1.00 20.65 O ATOM 1460 CB CYS A 155 64.589 19.671 6.503 1.00 22.78 C ATOM 1461 SG CYS A 155 62.820 19.199 6.529 1.00 23.67 S ATOM 1462 H CYS A 155 66.298 20.922 4.919 1.00 0.00 H ATOM 1463 N ASN A 156 64.358 22.070 8.782 1.00 22.43 N ATOM 1464 CA ASN A 156 64.747 22.479 10.098 1.00 21.10 C ATOM 1465 C ASN A 156 64.144 21.509 11.110 1.00 22.71 C ATOM 1466 O ASN A 156 62.934 21.562 11.358 1.00 23.20 O ATOM 1467 CB ASN A 156 64.275 23.891 10.313 1.00 22.15 C ATOM 1468 CG ASN A 156 64.633 24.461 11.668 1.00 25.80 C ATOM 1469 OD1 ASN A 156 65.113 23.790 12.554 1.00 25.46 O ATOM 1470 ND2 ASN A 156 64.395 25.738 11.811 1.00 30.65 N ATOM 1471 HD22 ASN A 156 63.982 26.281 11.026 1.00 0.00 H ATOM 1472 HD21 ASN A 156 64.619 26.211 12.710 1.00 0.00 H ATOM 1473 H ASN A 156 63.373 22.201 8.474 1.00 0.00 H ATOM 1474 N SER A 157 64.987 20.646 11.662 1.00 23.46 N ATOM 1475 CA SER A 157 64.538 19.589 12.580 1.00 23.40 C ATOM 1476 C SER A 157 64.029 20.183 13.853 1.00 26.10 C ATOM 1477 O SER A 157 63.411 19.490 14.674 1.00 26.62 O ATOM 1478 CB SER A 157 65.670 18.608 12.836 1.00 23.98 C ATOM 1479 OG SER A 157 66.758 19.257 13.454 1.00 27.00 O ATOM 1480 HG SER A 157 67.087 19.981 12.864 1.00 0.00 H ATOM 1481 H SER A 157 66.000 20.720 11.438 1.00 0.00 H ATOM 1482 N ASP A 158 64.222 21.490 14.047 1.00 25.36 N ATOM 1483 CA ASP A 158 63.648 22.109 15.224 1.00 28.17 C ATOM 1484 C ASP A 158 62.354 22.855 14.880 1.00 28.63 C ATOM 1485 O ASP A 158 61.740 23.420 15.765 1.00 35.86 O ATOM 1486 CB ASP A 158 64.680 23.046 15.914 1.00 31.29 C ATOM 1487 CG ASP A 158 65.934 22.305 16.325 1.00 35.28 C ATOM 1488 OD1 ASP A 158 65.831 21.251 16.988 1.00 36.63 O ATOM 1489 OD2 ASP A 158 67.030 22.751 15.952 1.00 38.01 O ATOM 1490 H ASP A 158 64.773 22.052 13.367 1.00 0.00 H ATOM 1491 N ASN A 159 61.934 22.852 13.609 1.00 25.08 N ATOM 1492 CA ASN A 159 60.716 23.509 13.183 1.00 23.05 C ATOM 1493 C ASN A 159 59.616 22.477 12.778 1.00 23.07 C ATOM 1494 O ASN A 159 59.243 22.318 11.620 1.00 23.39 O ATOM 1495 CB ASN A 159 60.950 24.446 11.996 1.00 28.05 C ATOM 1496 CG ASN A 159 59.670 25.104 11.498 1.00 29.73 C ATOM 1497 OD1 ASN A 159 58.708 25.278 12.252 1.00 40.12 O ATOM 1498 ND2 ASN A 159 59.663 25.509 10.251 1.00 28.93 N ATOM 1499 HD22 ASN A 159 60.493 25.344 9.646 1.00 0.00 H ATOM 1500 HD21 ASN A 159 58.828 25.995 9.867 1.00 0.00 H ATOM 1501 H ASN A 159 62.507 22.356 12.897 1.00 0.00 H ATOM 1502 N LEU A 160 59.102 21.794 13.777 1.00 20.28 N ATOM 1503 CA LEU A 160 58.071 20.801 13.527 1.00 18.82 C ATOM 1504 C LEU A 160 56.769 21.495 13.212 1.00 17.76 C ATOM 1505 O LEU A 160 56.309 22.351 13.936 1.00 22.46 O ATOM 1506 CB LEU A 160 57.938 19.918 14.729 1.00 18.29 C ATOM 1507 CG LEU A 160 59.212 19.242 15.203 1.00 18.71 C ATOM 1508 CD1 LEU A 160 58.928 18.502 16.486 1.00 19.61 C ATOM 1509 CD2 LEU A 160 59.794 18.259 14.209 1.00 19.69 C ATOM 1510 H LEU A 160 59.434 21.965 14.748 1.00 0.00 H ATOM 1511 N ASN A 161 56.137 21.132 12.133 1.00 16.21 N ATOM 1512 CA ASN A 161 54.864 21.767 11.741 1.00 16.43 C ATOM 1513 C ASN A 161 53.859 20.783 11.098 1.00 15.00 C ATOM 1514 O ASN A 161 52.757 21.195 10.697 1.00 12.73 O ATOM 1515 CB ASN A 161 55.160 22.886 10.801 1.00 18.04 C ATOM 1516 CG ASN A 161 56.080 22.439 9.682 1.00 18.48 C ATOM 1517 OD1 ASN A 161 55.763 21.485 8.974 1.00 16.67 O ATOM 1518 ND2 ASN A 161 57.235 23.144 9.497 1.00 20.70 N ATOM 1519 HD22 ASN A 161 57.461 23.944 10.121 1.00 0.00 H ATOM 1520 HD21 ASN A 161 57.888 22.881 8.732 1.00 0.00 H ATOM 1521 H ASN A 161 56.537 20.380 11.536 1.00 0.00 H ATOM 1522 N HIS A 162 54.237 19.503 11.011 1.00 12.97 N ATOM 1523 CA HIS A 162 53.339 18.537 10.382 1.00 12.99 C ATOM 1524 C HIS A 162 53.483 17.194 11.093 1.00 12.10 C ATOM 1525 O HIS A 162 54.512 16.880 11.689 1.00 14.33 O ATOM 1526 CB HIS A 162 53.679 18.452 8.895 1.00 12.20 C ATOM 1527 CG HIS A 162 52.733 17.638 8.078 1.00 12.39 C ATOM 1528 ND1 HIS A 162 51.363 17.784 8.110 1.00 14.50 N ATOM 1529 CD2 HIS A 162 52.977 16.626 7.227 1.00 12.78 C ATOM 1530 CE1 HIS A 162 50.808 16.887 7.327 1.00 12.17 C ATOM 1531 NE2 HIS A 162 51.774 16.185 6.757 1.00 13.99 N ATOM 1532 H HIS A 162 55.158 19.199 11.386 1.00 0.00 H ATOM 1533 N ALA A 163 52.407 16.420 11.131 1.00 11.41 N ATOM 1534 CA ALA A 163 52.418 15.091 11.703 1.00 10.00 C ATOM 1535 C ALA A 163 52.060 14.070 10.654 1.00 8.52 C ATOM 1536 O ALA A 163 51.085 14.235 9.977 1.00 8.45 O ATOM 1537 CB ALA A 163 51.423 14.987 12.840 1.00 10.19 C ATOM 1538 H ALA A 163 51.518 16.784 10.733 1.00 0.00 H ATOM 1539 N VAL A 164 52.782 12.952 10.663 1.00 9.36 N ATOM 1540 CA VAL A 164 52.659 11.876 9.672 1.00 8.99 C ATOM 1541 C VAL A 164 52.835 10.564 10.375 1.00 9.59 C ATOM 1542 O VAL A 164 52.877 10.554 11.615 1.00 8.90 O ATOM 1543 CB VAL A 164 53.682 12.069 8.500 1.00 9.43 C ATOM 1544 CG1 VAL A 164 53.269 13.243 7.691 1.00 11.33 C ATOM 1545 CG2 VAL A 164 55.086 12.318 8.978 1.00 9.80 C ATOM 1546 H VAL A 164 53.481 12.833 11.424 1.00 0.00 H ATOM 1547 N LEU A 165 52.896 9.466 9.668 1.00 8.33 N ATOM 1548 CA LEU A 165 52.956 8.167 10.352 1.00 8.75 C ATOM 1549 C LEU A 165 54.131 7.342 9.764 1.00 9.45 C ATOM 1550 O LEU A 165 54.231 7.130 8.533 1.00 9.40 O ATOM 1551 CB LEU A 165 51.658 7.399 10.044 1.00 9.00 C ATOM 1552 CG LEU A 165 51.534 5.999 10.706 1.00 9.17 C ATOM 1553 CD1 LEU A 165 51.362 6.130 12.227 1.00 10.73 C ATOM 1554 CD2 LEU A 165 50.345 5.295 10.057 1.00 10.71 C ATOM 1555 H LEU A 165 52.902 9.512 8.629 1.00 0.00 H ATOM 1556 N ALA A 166 55.060 6.901 10.596 1.00 8.89 N ATOM 1557 CA ALA A 166 56.114 5.999 10.119 1.00 9.85 C ATOM 1558 C ALA A 166 55.619 4.588 10.123 1.00 9.56 C ATOM 1559 O ALA A 166 55.405 4.011 11.216 1.00 10.79 O ATOM 1560 CB ALA A 166 57.328 6.116 11.031 1.00 9.16 C ATOM 1561 H ALA A 166 55.043 7.195 11.593 1.00 0.00 H ATOM 1562 N VAL A 167 55.475 3.984 8.953 1.00 10.96 N ATOM 1563 CA VAL A 167 54.931 2.632 8.803 1.00 10.40 C ATOM 1564 C VAL A 167 56.010 1.547 8.502 1.00 11.97 C ATOM 1565 O VAL A 167 55.675 0.390 8.298 1.00 11.27 O ATOM 1566 CB VAL A 167 53.865 2.531 7.690 1.00 10.84 C ATOM 1567 CG1 VAL A 167 52.682 3.452 7.964 1.00 11.28 C ATOM 1568 CG2 VAL A 167 54.459 2.732 6.320 1.00 11.52 C ATOM 1569 H VAL A 167 55.763 4.497 8.095 1.00 0.00 H ATOM 1570 N GLY A 168 57.230 1.990 8.411 1.00 12.41 N ATOM 1571 CA GLY A 168 58.356 1.079 8.161 1.00 13.89 C ATOM 1572 C GLY A 168 59.638 1.856 7.992 1.00 13.52 C ATOM 1573 O GLY A 168 59.730 3.054 8.295 1.00 11.30 O ATOM 1574 H GLY A 168 57.412 3.008 8.517 1.00 0.00 H ATOM 1575 N TYR A 169 60.663 1.105 7.611 1.00 14.90 N ATOM 1576 CA TYR A 169 61.931 1.660 7.281 1.00 14.51 C ATOM 1577 C TYR A 169 62.703 0.636 6.386 1.00 16.34 C ATOM 1578 O TYR A 169 62.341 -0.544 6.312 1.00 16.49 O ATOM 1579 CB TYR A 169 62.680 2.014 8.577 1.00 15.19 C ATOM 1580 CG TYR A 169 62.973 0.772 9.423 1.00 15.84 C ATOM 1581 CD1 TYR A 169 64.046 -0.089 9.107 1.00 16.74 C ATOM 1582 CD2 TYR A 169 62.234 0.479 10.543 1.00 16.77 C ATOM 1583 CE1 TYR A 169 64.269 -1.231 9.833 1.00 17.63 C ATOM 1584 CE2 TYR A 169 62.457 -0.650 11.289 1.00 17.28 C ATOM 1585 CZ TYR A 169 63.472 -1.506 10.929 1.00 17.58 C ATOM 1586 OH TYR A 169 63.711 -2.620 11.719 1.00 18.35 O ATOM 1587 HH TYR A 169 64.464 -3.137 11.339 1.00 0.00 H ATOM 1588 H TYR A 169 60.535 0.075 7.551 1.00 0.00 H ATOM 1589 N GLY A 170 63.731 1.114 5.692 1.00 17.24 N ATOM 1590 CA GLY A 170 64.477 0.266 4.727 1.00 18.24 C ATOM 1591 C GLY A 170 65.670 0.973 4.181 1.00 17.99 C ATOM 1592 O GLY A 170 66.252 1.856 4.814 1.00 18.03 O ATOM 1593 H GLY A 170 64.020 2.104 5.828 1.00 0.00 H ATOM 1594 N ILE A 171 66.062 0.584 2.980 1.00 23.30 N ATOM 1595 CA ILE A 171 67.192 1.221 2.351 1.00 25.75 C ATOM 1596 C ILE A 171 66.953 1.164 0.852 1.00 24.87 C ATOM 1597 O ILE A 171 66.464 0.180 0.354 1.00 25.56 O ATOM 1598 CB ILE A 171 68.520 0.515 2.775 1.00 27.79 C ATOM 1599 CG1 ILE A 171 69.743 1.335 2.315 1.00 30.60 C ATOM 1600 CG2 ILE A 171 68.531 -0.897 2.258 1.00 29.91 C ATOM 1601 CD1 ILE A 171 71.059 0.956 2.999 1.00 31.56 C ATOM 1602 H ILE A 171 65.556 -0.181 2.489 1.00 0.00 H ATOM 1603 N GLN A 172 67.252 2.258 0.165 1.00 27.23 N ATOM 1604 CA GLN A 172 67.061 2.343 -1.308 1.00 27.00 C ATOM 1605 C GLN A 172 68.355 2.903 -1.904 1.00 27.00 C ATOM 1606 O GLN A 172 68.777 4.034 -1.603 1.00 27.79 O ATOM 1607 CB GLN A 172 65.894 3.242 -1.661 1.00 26.73 C ATOM 1608 CG GLN A 172 65.478 3.120 -3.112 1.00 28.60 C ATOM 1609 CD GLN A 172 64.539 4.244 -3.570 1.00 30.21 C ATOM 1610 OE1 GLN A 172 64.965 5.379 -3.789 1.00 32.30 O ATOM 1611 NE2 GLN A 172 63.295 3.916 -3.750 1.00 27.64 N ATOM 1612 HE22 GLN A 172 62.979 2.945 -3.552 1.00 0.00 H ATOM 1613 HE21 GLN A 172 62.615 4.624 -4.092 1.00 0.00 H ATOM 1614 H GLN A 172 67.632 3.083 0.672 1.00 0.00 H ATOM 1615 N LYS A 173 68.887 2.130 -2.850 1.00 28.74 N ATOM 1616 CA LYS A 173 70.307 2.025 -3.036 1.00 27.24 C ATOM 1617 C LYS A 173 70.856 1.571 -1.700 1.00 26.75 C ATOM 1618 O LYS A 173 70.618 0.450 -1.218 1.00 27.47 O ATOM 1619 CB LYS A 173 70.940 3.364 -3.447 1.00 27.70 C ATOM 1620 CG LYS A 173 70.454 3.894 -4.778 1.00 28.10 C ATOM 1621 CD LYS A 173 69.146 3.225 -5.143 1.00 28.54 C ATOM 1622 CE LYS A 173 69.217 2.695 -6.560 1.00 28.46 C ATOM 1623 NZ LYS A 173 68.327 1.518 -6.739 1.00 27.82 N ATOM 1624 HZ1 LYS A 173 68.618 0.762 -6.087 1.00 0.00 H ATOM 1625 HZ2 LYS A 173 67.345 1.793 -6.536 1.00 0.00 H ATOM 1626 HZ3 LYS A 173 68.397 1.178 -7.719 1.00 0.00 H ATOM 1627 H LYS A 173 68.255 1.587 -3.472 1.00 0.00 H ATOM 1628 N GLY A 174 71.584 2.491 -1.110 1.00 26.17 N ATOM 1629 CA GLY A 174 72.397 2.791 0.042 1.00 28.62 C ATOM 1630 C GLY A 174 71.901 3.967 0.820 1.00 29.52 C ATOM 1631 O GLY A 174 72.643 4.504 1.628 1.00 34.19 O ATOM 1632 H GLY A 174 71.567 3.339 -1.712 1.00 0.00 H ATOM 1633 N ASN A 175 70.661 4.410 0.558 1.00 29.30 N ATOM 1634 CA ASN A 175 70.130 5.575 1.229 1.00 28.45 C ATOM 1635 C ASN A 175 69.100 4.937 2.146 1.00 23.29 C ATOM 1636 O ASN A 175 68.112 4.353 1.673 1.00 20.51 O ATOM 1637 CB ASN A 175 69.444 6.542 0.269 1.00 30.80 C ATOM 1638 CG ASN A 175 70.381 7.070 -0.817 1.00 33.04 C ATOM 1639 OD1 ASN A 175 71.369 7.738 -0.512 1.00 33.93 O ATOM 1640 ND2 ASN A 175 70.038 6.820 -2.082 1.00 34.65 N ATOM 1641 HD22 ASN A 175 69.193 6.250 -2.289 1.00 0.00 H ATOM 1642 HD21 ASN A 175 70.615 7.195 -2.861 1.00 0.00 H ATOM 1643 H ASN A 175 70.074 3.908 -0.138 1.00 0.00 H ATOM 1644 N LYS A 176 69.425 4.936 3.425 1.00 23.04 N ATOM 1645 CA LYS A 176 68.514 4.337 4.390 1.00 21.46 C ATOM 1646 C LYS A 176 67.300 5.274 4.476 1.00 17.37 C ATOM 1647 O LYS A 176 67.427 6.497 4.376 1.00 15.23 O ATOM 1648 CB LYS A 176 69.205 4.176 5.705 1.00 23.11 C ATOM 1649 CG LYS A 176 70.129 2.960 5.717 1.00 22.95 C ATOM 1650 CD LYS A 176 71.016 2.947 6.940 1.00 24.82 C ATOM 1651 CE LYS A 176 71.816 1.649 6.922 1.00 27.66 C ATOM 1652 NZ LYS A 176 72.363 1.476 8.294 1.00 29.73 N ATOM 1653 HZ1 LYS A 176 72.971 2.286 8.528 1.00 0.00 H ATOM 1654 HZ2 LYS A 176 71.578 1.422 8.974 1.00 0.00 H ATOM 1655 HZ3 LYS A 176 72.921 0.599 8.336 1.00 0.00 H ATOM 1656 H LYS A 176 70.322 5.358 3.740 1.00 0.00 H ATOM 1657 N HIS A 177 66.126 4.689 4.673 1.00 17.34 N ATOM 1658 CA HIS A 177 64.923 5.538 4.719 1.00 15.29 C ATOM 1659 C HIS A 177 63.955 5.092 5.820 1.00 14.72 C ATOM 1660 O HIS A 177 64.068 3.999 6.389 1.00 15.55 O ATOM 1661 CB HIS A 177 64.225 5.558 3.327 1.00 16.21 C ATOM 1662 CG HIS A 177 63.751 4.238 2.867 1.00 14.99 C ATOM 1663 ND1 HIS A 177 62.724 3.568 3.475 1.00 15.98 N ATOM 1664 CD2 HIS A 177 64.159 3.452 1.847 1.00 17.03 C ATOM 1665 CE1 HIS A 177 62.527 2.420 2.868 1.00 16.17 C ATOM 1666 NE2 HIS A 177 63.352 2.356 1.836 1.00 16.27 N ATOM 1667 H HIS A 177 66.057 3.658 4.792 1.00 0.00 H ATOM 1668 N TRP A 178 63.032 6.022 6.091 1.00 13.04 N ATOM 1669 CA TRP A 178 61.726 5.808 6.747 1.00 13.17 C ATOM 1670 C TRP A 178 60.582 5.863 5.729 1.00 12.75 C ATOM 1671 O TRP A 178 60.595 6.706 4.837 1.00 12.38 O ATOM 1672 CB TRP A 178 61.444 6.931 7.737 1.00 13.45 C ATOM 1673 CG TRP A 178 62.425 7.102 8.854 1.00 13.42 C ATOM 1674 CD1 TRP A 178 63.328 8.081 8.959 1.00 14.79 C ATOM 1675 CD2 TRP A 178 62.602 6.255 9.982 1.00 14.37 C ATOM 1676 NE1 TRP A 178 64.123 7.913 10.076 1.00 14.77 N ATOM 1677 CE2 TRP A 178 63.669 6.796 10.733 1.00 15.02 C ATOM 1678 CE3 TRP A 178 61.982 5.076 10.424 1.00 14.00 C ATOM 1679 CZ2 TRP A 178 64.117 6.207 11.897 1.00 15.31 C ATOM 1680 CZ3 TRP A 178 62.440 4.479 11.596 1.00 14.38 C ATOM 1681 CH2 TRP A 178 63.500 5.052 12.310 1.00 14.36 C ATOM 1682 HE1 TRP A 178 64.917 8.519 10.365 1.00 0.00 H ATOM 1683 H TRP A 178 63.258 6.998 5.810 1.00 0.00 H ATOM 1684 N ILE A 179 59.647 4.939 5.877 1.00 11.29 N ATOM 1685 CA ILE A 179 58.458 4.826 5.052 1.00 10.46 C ATOM 1686 C ILE A 179 57.399 5.604 5.756 1.00 9.63 C ATOM 1687 O ILE A 179 56.912 5.194 6.824 1.00 10.08 O ATOM 1688 CB ILE A 179 57.971 3.384 4.847 1.00 10.64 C ATOM 1689 CG1 ILE A 179 59.129 2.513 4.311 1.00 10.22 C ATOM 1690 CG2 ILE A 179 56.813 3.345 3.898 1.00 10.23 C ATOM 1691 CD1 ILE A 179 58.746 1.079 4.156 1.00 11.08 C ATOM 1692 H ILE A 179 59.773 4.243 6.640 1.00 0.00 H ATOM 1693 N ILE A 180 57.022 6.708 5.163 1.00 9.69 N ATOM 1694 CA ILE A 180 56.102 7.686 5.775 1.00 8.63 C ATOM 1695 C ILE A 180 54.797 7.806 4.998 1.00 9.11 C ATOM 1696 O ILE A 180 54.833 8.139 3.778 1.00 10.71 O ATOM 1697 CB ILE A 180 56.749 9.063 5.800 1.00 8.25 C ATOM 1698 CG1 ILE A 180 58.041 9.076 6.591 1.00 9.13 C ATOM 1699 CG2 ILE A 180 55.826 10.142 6.303 1.00 8.49 C ATOM 1700 CD1 ILE A 180 57.945 8.648 8.027 1.00 10.42 C ATOM 1701 H ILE A 180 57.390 6.906 4.211 1.00 0.00 H ATOM 1702 N LYS A 181 53.712 7.537 5.704 1.00 9.88 N ATOM 1703 CA LYS A 181 52.317 7.788 5.284 1.00 9.25 C ATOM 1704 C LYS A 181 51.933 9.184 5.580 1.00 9.45 C ATOM 1705 O LYS A 181 51.892 9.552 6.712 1.00 9.98 O ATOM 1706 CB LYS A 181 51.365 6.858 6.020 1.00 9.46 C ATOM 1707 CG LYS A 181 49.929 6.858 5.500 1.00 8.46 C ATOM 1708 CD LYS A 181 49.005 5.968 6.332 1.00 8.62 C ATOM 1709 CE LYS A 181 47.697 5.710 5.621 1.00 8.85 C ATOM 1710 NZ LYS A 181 46.740 5.194 6.537 1.00 9.30 N ATOM 1711 HZ1 LYS A 181 47.093 4.303 6.940 1.00 0.00 H ATOM 1712 HZ2 LYS A 181 46.585 5.884 7.300 1.00 0.00 H ATOM 1713 HZ3 LYS A 181 45.844 5.020 6.039 1.00 0.00 H ATOM 1714 H LYS A 181 53.853 7.109 6.641 1.00 0.00 H ATOM 1715 N ASN A 182 51.619 9.989 4.561 1.00 8.98 N ATOM 1716 CA ASN A 182 51.087 11.310 4.771 1.00 9.20 C ATOM 1717 C ASN A 182 49.548 11.232 4.710 1.00 10.50 C ATOM 1718 O ASN A 182 48.986 10.143 4.445 1.00 10.97 O ATOM 1719 CB ASN A 182 51.642 12.236 3.734 1.00 9.53 C ATOM 1720 CG ASN A 182 51.624 13.663 4.091 1.00 9.93 C ATOM 1721 OD1 ASN A 182 50.970 14.079 5.039 1.00 10.17 O ATOM 1722 ND2 ASN A 182 52.358 14.473 3.280 1.00 11.12 N ATOM 1723 HD22 ASN A 182 52.896 14.067 2.488 1.00 0.00 H ATOM 1724 HD21 ASN A 182 52.381 15.498 3.452 1.00 0.00 H ATOM 1725 H ASN A 182 51.763 9.651 3.588 1.00 0.00 H ATOM 1726 N SER A 183 48.886 12.388 4.944 1.00 10.87 N ATOM 1727 CA SER A 183 47.475 12.560 4.927 1.00 10.48 C ATOM 1728 C SER A 183 47.051 13.690 3.982 1.00 10.88 C ATOM 1729 O SER A 183 46.137 14.476 4.292 1.00 9.02 O ATOM 1730 CB SER A 183 46.956 12.819 6.383 1.00 11.48 C ATOM 1731 OG SER A 183 47.515 13.925 7.075 1.00 10.45 O ATOM 1732 HG SER A 183 48.494 13.801 7.157 1.00 0.00 H ATOM 1733 H SER A 183 49.462 13.228 5.156 1.00 0.00 H ATOM 1734 N TRP A 184 47.700 13.697 2.808 1.00 10.98 N ATOM 1735 CA TRP A 184 47.490 14.720 1.796 1.00 11.55 C ATOM 1736 C TRP A 184 46.900 14.053 0.583 1.00 11.37 C ATOM 1737 O TRP A 184 46.931 14.613 -0.542 1.00 13.29 O ATOM 1738 CB TRP A 184 48.747 15.505 1.496 1.00 12.73 C ATOM 1739 CG TRP A 184 49.179 16.445 2.529 1.00 12.80 C ATOM 1740 CD1 TRP A 184 48.540 16.733 3.664 1.00 13.05 C ATOM 1741 CD2 TRP A 184 50.414 17.167 2.576 1.00 12.75 C ATOM 1742 NE1 TRP A 184 49.247 17.633 4.391 1.00 14.19 N ATOM 1743 CE2 TRP A 184 50.411 17.915 3.767 1.00 12.54 C ATOM 1744 CE3 TRP A 184 51.490 17.282 1.744 1.00 11.37 C ATOM 1745 CZ2 TRP A 184 51.480 18.714 4.160 1.00 12.75 C ATOM 1746 CZ3 TRP A 184 52.563 18.055 2.150 1.00 11.03 C ATOM 1747 CH2 TRP A 184 52.533 18.782 3.321 1.00 12.49 C ATOM 1748 HE1 TRP A 184 48.939 18.045 5.295 1.00 0.00 H ATOM 1749 H TRP A 184 48.383 12.938 2.613 1.00 0.00 H ATOM 1750 N GLY A 185 46.272 12.883 0.796 1.00 11.46 N ATOM 1751 CA GLY A 185 45.688 12.098 -0.302 1.00 12.53 C ATOM 1752 C GLY A 185 46.666 11.322 -1.171 1.00 12.92 C ATOM 1753 O GLY A 185 47.862 11.467 -1.052 1.00 12.71 O ATOM 1754 H GLY A 185 46.197 12.522 1.768 1.00 0.00 H ATOM 1755 N GLU A 186 46.072 10.483 -2.018 1.00 13.38 N ATOM 1756 CA GLU A 186 46.819 9.551 -2.846 1.00 15.06 C ATOM 1757 C GLU A 186 47.499 10.208 -4.032 1.00 15.32 C ATOM 1758 O GLU A 186 48.392 9.608 -4.630 1.00 17.35 O ATOM 1759 CB GLU A 186 45.913 8.425 -3.331 1.00 17.15 C ATOM 1760 CG GLU A 186 45.450 7.505 -2.223 1.00 17.69 C ATOM 1761 CD GLU A 186 44.610 6.351 -2.755 1.00 19.68 C ATOM 1762 OE1 GLU A 186 43.640 6.627 -3.500 1.00 22.44 O ATOM 1763 OE2 GLU A 186 44.896 5.182 -2.416 1.00 19.33 O ATOM 1764 H GLU A 186 45.035 10.495 -2.090 1.00 0.00 H ATOM 1765 N ASN A 187 47.124 11.454 -4.349 1.00 14.13 N ATOM 1766 CA ASN A 187 47.743 12.180 -5.444 1.00 16.12 C ATOM 1767 C ASN A 187 48.852 13.073 -4.952 1.00 17.42 C ATOM 1768 O ASN A 187 49.261 13.901 -5.689 1.00 20.89 O ATOM 1769 CB ASN A 187 46.729 12.979 -6.255 1.00 18.19 C ATOM 1770 CG ASN A 187 45.580 12.102 -6.687 1.00 17.25 C ATOM 1771 OD1 ASN A 187 45.814 11.172 -7.417 1.00 21.40 O ATOM 1772 ND2 ASN A 187 44.437 12.233 -6.069 1.00 18.58 N ATOM 1773 HD22 ASN A 187 44.273 13.050 -5.447 1.00 0.00 H ATOM 1774 HD21 ASN A 187 43.691 11.520 -6.199 1.00 0.00 H ATOM 1775 H ASN A 187 46.371 11.913 -3.798 1.00 0.00 H ATOM 1776 N TRP A 188 49.251 12.926 -3.675 1.00 12.93 N ATOM 1777 CA TRP A 188 50.398 13.584 -3.154 1.00 11.64 C ATOM 1778 C TRP A 188 51.556 12.576 -3.170 1.00 10.44 C ATOM 1779 O TRP A 188 51.354 11.425 -2.963 1.00 9.53 O ATOM 1780 CB TRP A 188 50.172 14.144 -1.713 1.00 11.69 C ATOM 1781 CG TRP A 188 51.388 14.802 -1.216 1.00 12.19 C ATOM 1782 CD1 TRP A 188 51.836 16.057 -1.541 1.00 13.20 C ATOM 1783 CD2 TRP A 188 52.425 14.210 -0.408 1.00 11.06 C ATOM 1784 NE1 TRP A 188 53.078 16.258 -1.021 1.00 12.62 N ATOM 1785 CE2 TRP A 188 53.485 15.126 -0.354 1.00 11.08 C ATOM 1786 CE3 TRP A 188 52.600 12.954 0.153 1.00 10.22 C ATOM 1787 CZ2 TRP A 188 54.671 14.847 0.319 1.00 9.91 C ATOM 1788 CZ3 TRP A 188 53.775 12.661 0.785 1.00 9.10 C ATOM 1789 CH2 TRP A 188 54.777 13.571 0.882 1.00 9.39 C ATOM 1790 HE1 TRP A 188 53.633 17.132 -1.114 1.00 0.00 H ATOM 1791 H TRP A 188 48.700 12.308 -3.046 1.00 0.00 H ATOM 1792 N GLY A 189 52.774 13.049 -3.350 1.00 10.26 N ATOM 1793 CA GLY A 189 54.009 12.230 -3.249 1.00 11.21 C ATOM 1794 C GLY A 189 53.905 10.977 -4.130 1.00 11.50 C ATOM 1795 O GLY A 189 53.434 11.023 -5.286 1.00 13.61 O ATOM 1796 H GLY A 189 52.876 14.059 -3.577 1.00 0.00 H ATOM 1797 N ASN A 190 54.300 9.828 -3.582 1.00 12.97 N ATOM 1798 CA ASN A 190 54.247 8.558 -4.335 1.00 13.51 C ATOM 1799 C ASN A 190 53.018 7.793 -3.772 1.00 12.89 C ATOM 1800 O ASN A 190 53.130 7.052 -2.752 1.00 11.95 O ATOM 1801 CB ASN A 190 55.523 7.746 -4.171 1.00 13.39 C ATOM 1802 CG ASN A 190 55.520 6.541 -5.028 1.00 16.95 C ATOM 1803 OD1 ASN A 190 54.533 6.277 -5.729 1.00 18.75 O ATOM 1804 ND2 ASN A 190 56.603 5.791 -4.969 1.00 18.13 N ATOM 1805 HD22 ASN A 190 57.397 6.071 -4.359 1.00 0.00 H ATOM 1806 HD21 ASN A 190 56.663 4.919 -5.533 1.00 0.00 H ATOM 1807 H ASN A 190 54.653 9.825 -2.604 1.00 0.00 H ATOM 1808 N LYS A 191 51.846 7.994 -4.384 1.00 12.16 N ATOM 1809 CA LYS A 191 50.594 7.415 -3.941 1.00 13.12 C ATOM 1810 C LYS A 191 50.316 7.699 -2.467 1.00 12.24 C ATOM 1811 O LYS A 191 49.746 6.887 -1.773 1.00 10.73 O ATOM 1812 CB LYS A 191 50.475 5.927 -4.269 1.00 16.03 C ATOM 1813 CG LYS A 191 50.778 5.600 -5.748 1.00 20.57 C ATOM 1814 CD LYS A 191 50.207 4.204 -6.110 1.00 25.14 C ATOM 1815 CE LYS A 191 50.136 4.063 -7.626 1.00 28.34 C ATOM 1816 NZ LYS A 191 49.737 2.721 -8.245 1.00 30.53 N ATOM 1817 HZ1 LYS A 191 50.417 1.990 -7.953 1.00 0.00 H ATOM 1818 HZ2 LYS A 191 48.784 2.460 -7.920 1.00 0.00 H ATOM 1819 HZ3 LYS A 191 49.740 2.804 -9.282 1.00 0.00 H ATOM 1820 H LYS A 191 51.833 8.602 -5.228 1.00 0.00 H ATOM 1821 N GLY A 192 50.710 8.887 -2.059 1.00 11.49 N ATOM 1822 CA GLY A 192 50.447 9.336 -0.682 1.00 12.52 C ATOM 1823 C GLY A 192 51.580 9.121 0.299 1.00 12.96 C ATOM 1824 O GLY A 192 51.480 9.555 1.434 1.00 11.34 O ATOM 1825 H GLY A 192 51.213 9.516 -2.717 1.00 0.00 H ATOM 1826 N TYR A 193 52.641 8.466 -0.123 1.00 11.27 N ATOM 1827 CA TYR A 193 53.788 8.094 0.739 1.00 11.11 C ATOM 1828 C TYR A 193 55.023 8.899 0.326 1.00 11.64 C ATOM 1829 O TYR A 193 55.155 9.355 -0.827 1.00 11.74 O ATOM 1830 CB TYR A 193 54.081 6.606 0.601 1.00 10.57 C ATOM 1831 CG TYR A 193 53.120 5.767 1.301 1.00 11.59 C ATOM 1832 CD1 TYR A 193 51.903 5.395 0.705 1.00 12.30 C ATOM 1833 CD2 TYR A 193 53.321 5.407 2.609 1.00 12.00 C ATOM 1834 CE1 TYR A 193 50.996 4.620 1.376 1.00 12.43 C ATOM 1835 CE2 TYR A 193 52.387 4.673 3.310 1.00 11.53 C ATOM 1836 CZ TYR A 193 51.245 4.290 2.729 1.00 13.06 C ATOM 1837 OH TYR A 193 50.298 3.547 3.373 1.00 16.19 O ATOM 1838 HH TYR A 193 49.539 3.378 2.760 1.00 0.00 H ATOM 1839 H TYR A 193 52.677 8.192 -1.126 1.00 0.00 H ATOM 1840 N ILE A 194 55.936 9.044 1.304 1.00 12.01 N ATOM 1841 CA ILE A 194 57.247 9.598 1.051 1.00 12.00 C ATOM 1842 C ILE A 194 58.276 8.703 1.750 1.00 12.45 C ATOM 1843 O ILE A 194 58.032 8.190 2.816 1.00 12.02 O ATOM 1844 CB ILE A 194 57.383 11.098 1.430 1.00 12.51 C ATOM 1845 CG1 ILE A 194 58.785 11.615 1.201 1.00 11.89 C ATOM 1846 CG2 ILE A 194 56.948 11.345 2.868 1.00 12.09 C ATOM 1847 CD1 ILE A 194 58.918 13.132 1.241 1.00 13.13 C ATOM 1848 H ILE A 194 55.691 8.749 2.271 1.00 0.00 H ATOM 1849 N LEU A 195 59.381 8.433 1.066 1.00 12.22 N ATOM 1850 CA LEU A 195 60.598 7.857 1.737 1.00 12.97 C ATOM 1851 C LEU A 195 61.448 8.978 2.245 1.00 13.57 C ATOM 1852 O LEU A 195 61.874 9.831 1.509 1.00 13.45 O ATOM 1853 CB LEU A 195 61.401 6.950 0.795 1.00 12.61 C ATOM 1854 CG LEU A 195 60.649 5.807 0.218 1.00 12.77 C ATOM 1855 CD1 LEU A 195 61.574 4.922 -0.617 1.00 15.76 C ATOM 1856 CD2 LEU A 195 59.810 4.991 1.209 1.00 13.29 C ATOM 1857 H LEU A 195 59.406 8.624 0.044 1.00 0.00 H ATOM 1858 N MET A 196 61.672 9.050 3.545 1.00 12.26 N ATOM 1859 CA MET A 196 62.442 10.132 4.148 1.00 12.61 C ATOM 1860 C MET A 196 63.761 9.611 4.683 1.00 14.02 C ATOM 1861 O MET A 196 63.795 8.558 5.308 1.00 14.18 O ATOM 1862 CB MET A 196 61.640 10.883 5.199 1.00 12.37 C ATOM 1863 CG MET A 196 60.371 11.530 4.642 1.00 12.63 C ATOM 1864 SD MET A 196 59.520 12.477 5.950 1.00 12.60 S ATOM 1865 CE MET A 196 60.658 13.881 6.073 1.00 13.99 C ATOM 1866 H MET A 196 61.285 8.307 4.162 1.00 0.00 H ATOM 1867 N ALA A 197 64.814 10.420 4.553 1.00 16.01 N ATOM 1868 CA ALA A 197 66.203 9.972 4.951 1.00 16.89 C ATOM 1869 C ALA A 197 66.256 9.511 6.368 1.00 16.89 C ATOM 1870 O ALA A 197 65.793 10.220 7.222 1.00 16.02 O ATOM 1871 CB ALA A 197 67.226 11.117 4.717 1.00 17.14 C ATOM 1872 H ALA A 197 64.677 11.377 4.171 1.00 0.00 H ATOM 1873 N ARG A 198 66.868 8.329 6.591 1.00 17.86 N ATOM 1874 CA ARG A 198 67.014 7.748 7.915 1.00 17.00 C ATOM 1875 C ARG A 198 68.520 7.778 8.245 1.00 20.08 C ATOM 1876 O ARG A 198 69.346 7.532 7.370 1.00 19.58 O ATOM 1877 CB ARG A 198 66.467 6.329 7.969 1.00 16.64 C ATOM 1878 CG ARG A 198 66.721 5.631 9.296 1.00 17.65 C ATOM 1879 CD ARG A 198 65.836 4.379 9.441 1.00 16.36 C ATOM 1880 NE ARG A 198 66.109 3.427 8.389 1.00 17.94 N ATOM 1881 CZ ARG A 198 67.011 2.439 8.480 1.00 17.61 C ATOM 1882 NH1 ARG A 198 67.620 2.238 9.620 1.00 19.61 N ATOM 1883 NH2 ARG A 198 67.197 1.607 7.473 1.00 19.37 N ATOM 1884 HE ARG A 198 65.571 3.514 7.503 1.00 0.00 H ATOM 1885 HH12 ARG A 198 68.322 1.476 9.707 1.00 0.00 H ATOM 1886 HH11 ARG A 198 67.402 2.840 10.439 1.00 0.00 H ATOM 1887 HH22 ARG A 198 67.899 0.843 7.552 1.00 0.00 H ATOM 1888 HH21 ARG A 198 66.642 1.715 6.600 1.00 0.00 H ATOM 1889 H ARG A 198 67.253 7.809 5.777 1.00 0.00 H ATOM 1890 N ASN A 199 68.823 8.139 9.483 1.00 19.76 N ATOM 1891 CA ASN A 199 70.188 8.169 9.979 1.00 24.43 C ATOM 1892 C ASN A 199 71.040 9.238 9.297 1.00 27.79 C ATOM 1893 O ASN A 199 72.266 9.140 9.264 1.00 28.14 O ATOM 1894 CB ASN A 199 70.794 6.760 9.909 1.00 23.89 C ATOM 1895 CG ASN A 199 70.184 5.833 10.962 1.00 23.78 C ATOM 1896 OD1 ASN A 199 69.409 6.267 11.829 1.00 23.39 O ATOM 1897 ND2 ASN A 199 70.520 4.575 10.881 1.00 26.68 N ATOM 1898 HD22 ASN A 199 71.173 4.258 10.136 1.00 0.00 H ATOM 1899 HD21 ASN A 199 70.134 3.889 11.561 1.00 0.00 H ATOM 1900 H ASN A 199 68.052 8.412 10.126 1.00 0.00 H ATOM 1901 N LYS A 200 70.382 10.291 8.810 1.00 28.37 N ATOM 1902 CA LYS A 200 71.061 11.488 8.346 1.00 26.41 C ATOM 1903 C LYS A 200 70.840 12.607 9.306 1.00 26.55 C ATOM 1904 O LYS A 200 70.239 13.646 8.971 1.00 24.80 O ATOM 1905 CB LYS A 200 70.619 11.897 6.956 1.00 29.23 C ATOM 1906 CG LYS A 200 71.165 10.989 5.888 1.00 33.75 C ATOM 1907 CD LYS A 200 71.137 11.701 4.537 1.00 38.71 C ATOM 1908 CE LYS A 200 72.275 12.688 4.366 1.00 38.96 C ATOM 1909 NZ LYS A 200 73.418 12.037 3.646 1.00 45.33 N ATOM 1910 HZ1 LYS A 200 73.753 11.221 4.197 1.00 0.00 H ATOM 1911 HZ2 LYS A 200 73.099 11.717 2.709 1.00 0.00 H ATOM 1912 HZ3 LYS A 200 74.192 12.723 3.535 1.00 0.00 H ATOM 1913 H LYS A 200 69.344 10.253 8.761 1.00 0.00 H ATOM 1914 N ASN A 201 71.354 12.417 10.521 1.00 21.59 N ATOM 1915 CA ASN A 201 71.235 13.448 11.509 1.00 25.66 C ATOM 1916 C ASN A 201 69.795 13.965 11.695 1.00 22.00 C ATOM 1917 O ASN A 201 69.521 15.182 11.765 1.00 21.49 O ATOM 1918 CB ASN A 201 72.233 14.603 11.199 1.00 31.75 C ATOM 1919 CG ASN A 201 72.690 15.335 12.453 1.00 38.21 C ATOM 1920 OD1 ASN A 201 72.226 15.052 13.549 1.00 43.70 O ATOM 1921 ND2 ASN A 201 73.614 16.278 12.297 1.00 46.59 N ATOM 1922 HD22 ASN A 201 73.985 16.491 11.349 1.00 0.00 H ATOM 1923 HD21 ASN A 201 73.966 16.803 13.123 1.00 0.00 H ATOM 1924 H ASN A 201 71.838 11.526 10.751 1.00 0.00 H ATOM 1925 N ASN A 202 68.880 13.011 11.855 1.00 22.53 N ATOM 1926 CA ASN A 202 67.520 13.327 12.283 1.00 20.02 C ATOM 1927 C ASN A 202 66.877 14.314 11.334 1.00 16.79 C ATOM 1928 O ASN A 202 66.398 15.422 11.699 1.00 18.34 O ATOM 1929 CB ASN A 202 67.535 13.868 13.697 1.00 19.94 C ATOM 1930 CG ASN A 202 66.125 13.930 14.323 1.00 22.12 C ATOM 1931 OD1 ASN A 202 65.206 13.160 13.976 1.00 22.15 O ATOM 1932 ND2 ASN A 202 65.974 14.815 15.252 1.00 22.02 N ATOM 1933 HD22 ASN A 202 66.766 15.437 15.511 1.00 0.00 H ATOM 1934 HD21 ASN A 202 65.061 14.905 15.741 1.00 0.00 H ATOM 1935 H ASN A 202 69.139 12.021 11.671 1.00 0.00 H ATOM 1936 N ALA A 203 66.924 13.914 10.070 1.00 16.90 N ATOM 1937 CA ALA A 203 66.597 14.843 9.023 1.00 16.21 C ATOM 1938 C ALA A 203 65.083 15.203 9.151 1.00 16.83 C ATOM 1939 O ALA A 203 64.256 14.311 9.324 1.00 14.68 O ATOM 1940 CB ALA A 203 66.861 14.182 7.699 1.00 15.39 C ATOM 1941 H ALA A 203 67.195 12.937 9.839 1.00 0.00 H ATOM 1942 N CYS A 204 64.784 16.484 9.062 1.00 16.74 N ATOM 1943 CA CYS A 204 63.426 17.024 9.154 1.00 18.37 C ATOM 1944 C CYS A 204 62.807 16.843 10.541 1.00 17.58 C ATOM 1945 O CYS A 204 61.636 17.155 10.719 1.00 16.72 O ATOM 1946 CB CYS A 204 62.524 16.497 8.035 1.00 18.61 C ATOM 1947 SG CYS A 204 62.887 17.178 6.368 1.00 20.88 S ATOM 1948 H CYS A 204 65.565 17.156 8.917 1.00 0.00 H ATOM 1949 N GLY A 205 63.580 16.322 11.493 1.00 16.01 N ATOM 1950 CA GLY A 205 63.094 16.266 12.881 1.00 17.72 C ATOM 1951 C GLY A 205 62.301 15.001 13.066 1.00 16.65 C ATOM 1952 O GLY A 205 61.530 14.928 13.983 1.00 17.51 O ATOM 1953 H GLY A 205 64.524 15.956 11.256 1.00 0.00 H ATOM 1954 N ILE A 206 62.540 14.008 12.196 1.00 16.44 N ATOM 1955 CA ILE A 206 61.749 12.806 12.159 1.00 16.30 C ATOM 1956 C ILE A 206 61.574 12.095 13.548 1.00 16.23 C ATOM 1957 O ILE A 206 60.516 11.566 13.878 1.00 15.24 O ATOM 1958 CB ILE A 206 62.274 11.847 11.099 1.00 17.09 C ATOM 1959 CG1 ILE A 206 61.332 10.669 10.845 1.00 20.99 C ATOM 1960 CG2 ILE A 206 63.656 11.270 11.443 1.00 17.46 C ATOM 1961 CD1 ILE A 206 60.156 11.107 10.038 1.00 21.61 C ATOM 1962 H ILE A 206 63.326 14.111 11.523 1.00 0.00 H ATOM 1963 N ALA A 207 62.638 12.086 14.344 1.00 16.46 N ATOM 1964 CA ALA A 207 62.639 11.453 15.686 1.00 17.69 C ATOM 1965 C ALA A 207 62.491 12.393 16.863 1.00 16.05 C ATOM 1966 O ALA A 207 62.704 12.011 18.052 1.00 18.30 O ATOM 1967 CB ALA A 207 63.906 10.567 15.833 1.00 17.67 C ATOM 1968 H ALA A 207 63.510 12.544 14.011 1.00 0.00 H ATOM 1969 N ASN A 208 62.137 13.636 16.595 1.00 16.10 N ATOM 1970 CA ASN A 208 61.949 14.638 17.688 1.00 15.54 C ATOM 1971 C ASN A 208 60.636 14.618 18.479 1.00 16.51 C ATOM 1972 O ASN A 208 60.583 15.129 19.594 1.00 16.34 O ATOM 1973 CB ASN A 208 62.170 16.023 17.135 1.00 16.36 C ATOM 1974 CG ASN A 208 63.640 16.387 17.072 1.00 16.07 C ATOM 1975 OD1 ASN A 208 64.483 15.634 17.479 1.00 19.89 O ATOM 1976 ND2 ASN A 208 63.917 17.492 16.510 1.00 20.05 N ATOM 1977 HD22 ASN A 208 63.152 18.111 16.174 1.00 0.00 H ATOM 1978 HD21 ASN A 208 64.909 17.778 16.386 1.00 0.00 H ATOM 1979 H ASN A 208 61.986 13.923 15.607 1.00 0.00 H ATOM 1980 N LEU A 209 59.546 14.104 17.871 1.00 15.35 N ATOM 1981 CA LEU A 209 58.276 14.082 18.549 1.00 14.53 C ATOM 1982 C LEU A 209 57.518 12.847 18.123 1.00 13.53 C ATOM 1983 O LEU A 209 56.415 12.963 17.685 1.00 15.25 O ATOM 1984 CB LEU A 209 57.490 15.306 18.248 1.00 14.36 C ATOM 1985 CG LEU A 209 56.400 15.647 19.258 1.00 16.99 C ATOM 1986 CD1 LEU A 209 56.966 15.917 20.651 1.00 18.99 C ATOM 1987 CD2 LEU A 209 55.570 16.753 18.694 1.00 17.22 C ATOM 1988 H LEU A 209 59.624 13.722 16.907 1.00 0.00 H ATOM 1989 N ALA A 210 58.130 11.688 18.327 1.00 14.26 N ATOM 1990 CA ALA A 210 57.541 10.428 17.969 1.00 13.13 C ATOM 1991 C ALA A 210 56.863 9.772 19.214 1.00 14.36 C ATOM 1992 O ALA A 210 57.330 9.879 20.363 1.00 14.78 O ATOM 1993 CB ALA A 210 58.575 9.532 17.331 1.00 14.25 C ATOM 1994 H ALA A 210 59.074 11.692 18.764 1.00 0.00 H ATOM 1995 N SER A 211 55.710 9.113 18.965 1.00 12.12 N ATOM 1996 CA SER A 211 54.974 8.436 19.986 1.00 12.28 C ATOM 1997 C SER A 211 54.069 7.349 19.382 1.00 12.33 C ATOM 1998 O SER A 211 53.783 7.320 18.186 1.00 11.88 O ATOM 1999 CB SER A 211 54.139 9.417 20.795 1.00 11.95 C ATOM 2000 OG SER A 211 53.167 10.041 19.921 1.00 12.37 O ATOM 2001 HG SER A 211 53.638 10.522 19.195 1.00 0.00 H ATOM 2002 H SER A 211 55.344 9.098 17.992 1.00 0.00 H ATOM 2003 N PHE A 212 53.607 6.432 20.219 1.00 12.55 N ATOM 2004 CA PHE A 212 52.695 5.429 19.783 1.00 11.54 C ATOM 2005 C PHE A 212 51.762 5.095 20.961 1.00 13.23 C ATOM 2006 O PHE A 212 52.159 5.253 22.140 1.00 13.94 O ATOM 2007 CB PHE A 212 53.383 4.165 19.295 1.00 13.15 C ATOM 2008 CG PHE A 212 54.295 3.516 20.296 1.00 15.60 C ATOM 2009 CD1 PHE A 212 53.789 2.593 21.221 1.00 17.44 C ATOM 2010 CD2 PHE A 212 55.633 3.830 20.330 1.00 18.35 C ATOM 2011 CE1 PHE A 212 54.614 1.975 22.191 1.00 18.42 C ATOM 2012 CE2 PHE A 212 56.475 3.229 21.291 1.00 19.21 C ATOM 2013 CZ PHE A 212 55.961 2.285 22.214 1.00 17.96 C ATOM 2014 H PHE A 212 53.916 6.445 21.212 1.00 0.00 H ATOM 2015 N PRO A 213 50.563 4.646 20.649 1.00 12.04 N ATOM 2016 CA PRO A 213 49.601 4.250 21.638 1.00 13.36 C ATOM 2017 C PRO A 213 49.809 2.833 22.038 1.00 15.43 C ATOM 2018 O PRO A 213 50.294 2.029 21.284 1.00 15.78 O ATOM 2019 CB PRO A 213 48.275 4.378 20.929 1.00 12.87 C ATOM 2020 CG PRO A 213 48.616 4.023 19.507 1.00 11.15 C ATOM 2021 CD PRO A 213 49.986 4.579 19.277 1.00 12.14 C ATOM 2022 N LYS A 214 49.452 2.558 23.270 1.00 17.78 N ATOM 2023 CA LYS A 214 49.419 1.182 23.806 1.00 21.93 C ATOM 2024 C LYS A 214 47.954 0.687 23.784 1.00 21.43 C ATOM 2025 O LYS A 214 47.028 1.481 24.085 1.00 18.60 O ATOM 2026 CB LYS A 214 49.885 1.195 25.257 1.00 25.34 C ATOM 2027 CG LYS A 214 51.286 1.748 25.504 1.00 28.16 C ATOM 2028 CD LYS A 214 51.582 1.850 27.017 1.00 34.50 C ATOM 2029 CE LYS A 214 50.837 2.984 27.733 1.00 38.12 C ATOM 2030 NZ LYS A 214 50.982 3.055 29.222 1.00 42.00 N ATOM 2031 HZ1 LYS A 214 50.628 2.174 29.646 1.00 0.00 H ATOM 2032 HZ2 LYS A 214 51.985 3.180 29.466 1.00 0.00 H ATOM 2033 HZ3 LYS A 214 50.433 3.861 29.584 1.00 0.00 H ATOM 2034 H LYS A 214 49.181 3.343 23.896 1.00 0.00 H ATOM 2035 N MET A 215 47.743 -0.572 23.393 1.00 20.01 N ATOM 2036 CA MET A 215 46.378 -1.166 23.434 1.00 23.27 C ATOM 2037 C MET A 215 46.280 -2.449 24.243 1.00 25.68 C ATOM 2038 O MET A 215 45.129 -2.821 24.613 1.00 23.77 O ATOM 2039 CB MET A 215 45.843 -1.514 22.065 1.00 21.62 C ATOM 2040 CG MET A 215 45.252 -0.364 21.343 1.00 24.00 C ATOM 2041 SD MET A 215 44.512 -0.919 19.802 1.00 21.38 S ATOM 2042 CE MET A 215 44.292 0.777 19.259 1.00 19.58 C ATOM 2043 OXT MET A 215 47.302 -3.109 24.397 1.00 24.96 O ATOM 2044 H MET A 215 48.542 -1.145 23.055 1.00 0.00 H TER 2045 MET A 215 HETATM 2046 K K A 1 63.845 12.256 7.417 1.00 37.63 K HETATM 2047 O HOH 2 45.115 -6.638 26.738 1.00 50.84 O HETATM 2048 O HOH 3 28.397 21.290 21.268 1.00 30.36 O HETATM 2049 O HOH 4 50.705 -8.898 13.521 1.00 37.26 O HETATM 2050 O HOH 5 61.847 -2.429 24.235 1.00 29.70 O HETATM 2051 O HOH 6 51.891 2.430 -9.179 1.00 30.97 O HETATM 2052 O HOH 7 47.790 8.458 28.683 1.00 31.94 O HETATM 2053 O HOH 8 69.889 16.082 8.664 1.00 31.50 O HETATM 2054 O HOH 9 52.714 -3.320 20.073 1.00 23.27 O HETATM 2055 O HOH 10 69.071 -3.693 11.607 1.00 31.58 O HETATM 2056 O HOH 11 28.420 1.174 7.268 1.00 45.51 O HETATM 2057 O HOH 12 59.808 12.232 -10.363 1.00 42.70 O HETATM 2058 O HOH 13 33.685 8.240 5.900 1.00 24.91 O HETATM 2059 O HOH 14 48.756 4.576 -1.537 1.00 20.36 O HETATM 2060 O HOH 15 49.097 3.023 -10.673 1.00 29.85 O HETATM 2061 O HOH 16 54.693 -2.282 0.217 1.00 29.14 O HETATM 2062 O HOH 17 50.414 15.896 25.586 1.00 44.42 O HETATM 2063 O HOH 18 39.276 24.251 14.513 1.00 19.49 O HETATM 2064 O HOH 19 49.252 -9.769 16.052 1.00 38.29 O HETATM 2065 O HOH 20 28.576 17.309 10.282 1.00 35.71 O HETATM 2066 O HOH 21 35.731 16.211 24.957 1.00 29.39 O HETATM 2067 O HOH 22 60.720 26.413 5.441 1.00 38.24 O HETATM 2068 O HOH 23 53.788 4.396 -2.946 1.00 17.50 O HETATM 2069 O HOH 24 59.229 -3.987 22.906 1.00 37.89 O HETATM 2070 O HOH 25 54.318 7.603 28.330 1.00 47.57 O HETATM 2071 O HOH 26 36.518 10.871 10.760 1.00 10.52 O HETATM 2072 O HOH 27 59.076 13.278 15.204 1.00 15.06 O HETATM 2073 O HOH 28 70.233 10.482 13.820 1.00 25.82 O HETATM 2074 O HOH 29 39.795 24.712 19.269 1.00 24.13 O HETATM 2075 O HOH 30 27.048 10.383 17.179 1.00 40.36 O HETATM 2076 O HOH 31 72.785 20.702 1.291 1.00 42.28 O HETATM 2077 O HOH 32 39.283 15.770 2.851 1.00 24.36 O HETATM 2078 O HOH 33 49.766 -2.164 21.778 1.00 36.78 O HETATM 2079 O HOH 34 62.426 24.938 7.352 1.00 43.57 O HETATM 2080 O HOH 35 68.314 -0.899 8.570 1.00 29.92 O HETATM 2081 O HOH 36 36.810 19.516 21.831 1.00 19.06 O HETATM 2082 O HOH 37 49.251 12.660 8.618 1.00 12.98 O HETATM 2083 O HOH 38 31.782 16.294 12.881 1.00 18.06 O HETATM 2084 O HOH 39 60.992 17.104 -4.379 1.00 43.85 O HETATM 2085 O HOH 40 31.939 1.399 14.835 1.00 27.28 O HETATM 2086 O HOH 41 27.241 9.379 7.353 1.00 38.39 O HETATM 2087 O HOH 42 64.745 -1.726 2.434 1.00 32.55 O HETATM 2088 O HOH 43 49.482 12.707 30.226 1.00 47.38 O HETATM 2089 O HOH 44 43.905 14.798 25.949 1.00 19.00 O HETATM 2090 O HOH 45 34.028 12.021 23.897 1.00 13.73 O HETATM 2091 O HOH 46 69.110 15.250 -1.433 1.00 34.77 O HETATM 2092 O HOH 47 60.078 20.121 4.582 1.00 15.24 O HETATM 2093 O HOH 48 30.032 20.655 25.052 1.00 15.24 O HETATM 2094 O HOH 49 63.092 0.533 -0.113 1.00 31.67 O HETATM 2095 O HOH 50 55.206 9.909 28.130 1.00 46.36 O HETATM 2096 O HOH 51 60.358 14.577 22.209 1.00 28.20 O HETATM 2097 O HOH 52 46.150 4.180 -0.247 1.00 15.43 O HETATM 2098 O HOH 53 40.139 3.645 25.656 1.00 15.90 O HETATM 2099 O HOH 54 65.149 23.657 -0.205 1.00 30.28 O HETATM 2100 O HOH 55 44.828 -6.356 7.678 1.00 21.10 O HETATM 2101 O HOH 56 68.645 21.710 -0.527 1.00 27.33 O HETATM 2102 O HOH 57 37.156 -2.899 16.078 1.00 27.31 O HETATM 2103 O HOH 58 42.301 28.616 17.942 1.00 39.59 O HETATM 2104 O HOH 59 52.170 -9.229 2.358 1.00 17.22 O HETATM 2105 O HOH 60 54.189 12.488 19.326 1.00 11.83 O HETATM 2106 O HOH 61 50.802 1.240 15.210 1.00 10.45 O HETATM 2107 O HOH 62 60.959 17.760 20.190 1.00 36.80 O HETATM 2108 O HOH 63 38.768 20.989 20.336 1.00 17.50 O HETATM 2109 O HOH 64 60.646 11.554 19.791 1.00 18.01 O HETATM 2110 O HOH 65 71.956 5.749 4.036 1.00 27.35 O HETATM 2111 O HOH 66 43.096 6.277 -0.676 1.00 32.90 O HETATM 2112 O HOH 67 47.709 -9.111 13.834 1.00 38.16 O HETATM 2113 O HOH 68 68.653 -5.958 17.937 1.00 37.80 O HETATM 2114 O HOH 69 51.511 23.635 10.542 1.00 36.81 O HETATM 2115 O HOH 70 67.290 -0.045 16.630 1.00 27.34 O HETATM 2116 O HOH 71 54.093 15.528 -4.059 1.00 15.20 O HETATM 2117 O HOH 72 46.458 8.953 5.486 1.00 9.30 O HETATM 2118 O HOH 73 58.957 6.550 -3.244 1.00 18.63 O HETATM 2119 O HOH 74 58.907 -1.878 1.448 1.00 30.64 O HETATM 2120 O HOH 75 31.150 13.767 11.534 1.00 16.27 O HETATM 2121 O HOH 76 53.448 13.728 26.932 1.00 37.70 O HETATM 2122 O HOH 77 53.565 7.134 -8.164 1.00 44.90 O HETATM 2123 O HOH 78 49.249 11.750 1.314 1.00 11.42 O HETATM 2124 O HOH 79 43.236 6.521 8.543 1.00 14.98 O HETATM 2125 O HOH 80 62.453 2.409 21.229 1.00 35.37 O HETATM 2126 O HOH 81 44.097 2.774 30.602 1.00 27.84 O HETATM 2127 O HOH 82 46.434 -10.784 9.225 1.00 28.69 O HETATM 2128 O HOH 83 51.431 9.207 -6.839 1.00 36.51 O HETATM 2129 O HOH 84 70.303 19.686 0.721 1.00 26.58 O HETATM 2130 O HOH 85 42.730 9.870 0.158 1.00 19.33 O HETATM 2131 O HOH 86 48.630 2.049 10.524 1.00 9.55 O HETATM 2132 O HOH 87 29.178 7.176 7.553 1.00 41.47 O HETATM 2133 O HOH 88 40.687 19.258 18.970 1.00 11.61 O HETATM 2134 O HOH 89 68.755 10.655 -1.090 1.00 42.90 O HETATM 2135 O HOH 90 41.934 -6.592 8.636 1.00 27.71 O HETATM 2136 O HOH 91 50.940 20.512 8.476 1.00 31.63 O HETATM 2137 O HOH 92 48.034 8.095 9.418 1.00 11.12 O HETATM 2138 O HOH 93 46.840 3.354 8.783 1.00 8.05 O HETATM 2139 O HOH 94 48.012 22.003 8.210 1.00 31.97 O HETATM 2140 O HOH 95 47.086 21.812 25.368 1.00 31.34 O HETATM 2141 O HOH 96 66.720 18.508 8.997 1.00 23.74 O HETATM 2142 O HOH 97 35.823 11.714 27.492 1.00 28.02 O HETATM 2143 O HOH 98 66.263 17.224 18.951 1.00 36.33 O HETATM 2144 O HOH 99 48.255 -2.585 5.438 1.00 12.93 O HETATM 2145 O HOH 100 63.772 12.253 -3.104 1.00 31.21 O HETATM 2146 O HOH 101 43.270 10.382 -2.277 1.00 24.06 O HETATM 2147 O HOH 102 69.525 13.422 16.882 1.00 36.54 O HETATM 2148 O HOH 103 31.264 15.841 24.395 1.00 29.44 O HETATM 2149 O HOH 104 39.301 9.269 7.459 1.00 16.82 O HETATM 2150 O HOH 105 55.520 13.121 21.767 1.00 25.54 O HETATM 2151 O HOH 106 66.642 18.632 16.221 1.00 27.26 O HETATM 2152 O HOH 107 57.964 12.357 21.604 1.00 19.73 O HETATM 2153 O HOH 108 61.108 13.523 -5.430 1.00 20.87 O HETATM 2154 O HOH 109 59.926 0.386 0.276 1.00 36.57 O HETATM 2155 O HOH 110 31.054 -0.871 18.428 1.00 16.87 O HETATM 2156 O HOH 111 56.555 25.182 14.131 1.00 45.34 O HETATM 2157 O HOH 112 65.750 16.313 4.851 1.00 14.78 O HETATM 2158 O HOH 113 52.935 15.523 25.229 1.00 31.39 O HETATM 2159 O HOH 114 67.714 21.462 11.457 1.00 31.48 O HETATM 2160 O HOH 115 33.306 4.953 25.725 1.00 13.89 O HETATM 2161 O HOH 116 40.479 7.077 8.855 1.00 19.74 O HETATM 2162 O HOH 117 49.885 -9.398 10.229 1.00 34.98 O HETATM 2163 O HOH 118 46.684 26.365 17.047 1.00 26.96 O HETATM 2164 O HOH 119 67.528 11.220 9.279 1.00 15.60 O HETATM 2165 O HOH 120 34.990 8.390 30.225 1.00 37.44 O HETATM 2166 O HOH 121 42.746 27.779 15.161 1.00 34.92 O HETATM 2167 O HOH 122 48.709 20.020 25.658 1.00 35.48 O HETATM 2168 O HOH 123 69.910 8.817 16.400 1.00 29.40 O HETATM 2169 O HOH 124 45.879 7.640 7.808 1.00 14.39 O HETATM 2170 O HOH 125 40.159 11.043 3.140 1.00 17.40 O HETATM 2171 O HOH 126 67.430 6.884 -3.452 1.00 34.86 O HETATM 2172 O HOH 127 67.566 11.345 23.538 1.00 38.39 O HETATM 2173 O HOH 128 52.713 13.251 -7.031 1.00 41.64 O HETATM 2174 O HOH 129 37.062 0.697 7.623 1.00 21.66 O HETATM 2175 O HOH 130 35.280 2.702 9.533 1.00 18.08 O HETATM 2176 O HOH 131 62.498 23.487 -1.191 1.00 17.10 O HETATM 2177 O HOH 132 28.611 21.176 15.548 1.00 32.93 O HETATM 2178 O HOH 133 47.006 17.811 27.613 1.00 39.67 O HETATM 2179 O HOH 134 49.577 10.055 8.459 1.00 10.72 O HETATM 2180 O HOH 135 48.384 -3.575 20.008 1.00 34.35 O HETATM 2181 O HOH 136 40.057 2.959 28.416 1.00 31.11 O HETATM 2182 O HOH 137 56.871 7.640 27.336 1.00 29.57 O HETATM 2183 O HOH 138 42.429 20.470 -0.036 1.00 21.25 O HETATM 2184 O HOH 139 69.404 8.476 3.420 1.00 22.83 O HETATM 2185 O HOH 140 57.484 23.732 16.281 1.00 44.24 O HETATM 2186 O HOH 141 58.011 -6.234 6.486 1.00 30.83 O HETATM 2187 O HOH 142 72.335 10.237 12.290 1.00 31.68 O HETATM 2188 O HOH 143 29.089 10.378 15.364 1.00 35.84 O HETATM 2189 O HOH 144 39.053 20.506 5.242 1.00 30.20 O HETATM 2190 O HOH 145 49.221 19.695 6.948 1.00 24.54 O HETATM 2191 O HOH 146 60.946 25.918 0.121 1.00 20.58 O HETATM 2192 O HOH 147 45.658 13.795 -3.128 1.00 23.00 O HETATM 2193 O HOH 148 67.554 3.925 12.183 1.00 23.48 O HETATM 2194 O HOH 149 52.402 14.556 20.081 1.00 10.81 O HETATM 2195 O HOH 150 53.787 15.491 22.527 1.00 17.68 O HETATM 2196 O HOH 151 46.871 7.136 -6.267 1.00 37.00 O HETATM 2197 O HOH 152 64.351 13.957 5.140 1.00 17.61 O HETATM 2198 O HOH 153 68.060 8.656 23.887 1.00 38.92 O HETATM 2199 O HOH 154 38.876 20.526 2.441 1.00 28.56 O HETATM 2200 O HOH 155 39.649 3.983 3.180 1.00 20.38 O HETATM 2201 O HOH 156 67.543 -8.209 8.973 1.00 38.15 O HETATM 2202 O HOH 157 45.744 15.247 27.722 1.00 34.19 O HETATM 2203 O HOH 158 61.076 5.675 -5.115 1.00 18.07 O HETATM 2204 O HOH 159 45.576 18.273 1.764 1.00 37.52 O HETATM 2205 O HOH 160 63.712 -5.271 18.096 1.00 29.27 O HETATM 2206 O HOH 161 74.644 7.496 10.255 1.00 34.39 O HETATM 2207 O HOH 162 35.585 3.650 6.797 1.00 17.91 O HETATM 2208 O HOH 163 37.561 24.363 12.058 1.00 18.63 O HETATM 2209 O HOH 164 70.293 1.183 10.699 1.00 18.52 O HETATM 2210 O HOH 165 60.872 -1.924 3.995 1.00 27.28 O HETATM 2211 O HOH 166 50.277 6.986 28.993 1.00 25.35 O HETATM 2212 O HOH 167 65.558 14.566 -1.960 1.00 17.74 O HETATM 2213 O HOH 168 45.960 21.398 5.374 1.00 41.57 O HETATM 2214 O HOH 169 41.716 16.637 25.619 1.00 16.00 O HETATM 2215 O HOH 170 33.611 23.325 17.308 1.00 24.50 O HETATM 2216 O HOH 171 73.294 4.255 9.342 1.00 38.02 O HETATM 2217 O HOH 172 63.873 12.623 25.392 1.00 34.82 O HETATM 2218 O HOH 173 40.918 26.266 14.009 1.00 39.76 O HETATM 2219 O HOH 174 32.958 8.601 27.440 1.00 34.24 O HETATM 2220 O HOH 175 67.222 9.185 -3.834 1.00 37.19 O HETATM 2221 O HOH 176 69.886 17.737 -0.699 1.00 40.10 O HETATM 2222 O HOH 177 39.497 15.825 25.890 1.00 30.38 O HETATM 2223 O HOH 178 49.253 23.941 12.549 1.00 40.33 O HETATM 2224 O HOH 179 68.661 16.475 15.963 1.00 44.90 O HETATM 2225 O HOH 180 54.831 -5.638 15.641 1.00 33.95 O HETATM 2226 O HOH 181 34.323 5.689 5.008 1.00 39.43 O HETATM 2227 O HOH 182 65.643 17.356 -2.332 1.00 39.95 O HETATM 2228 O HOH 183 32.043 23.916 11.866 1.00 44.98 O HETATM 2229 O HOH 184 38.773 -4.871 14.915 1.00 32.73 O HETATM 2230 O HOH 185 23.527 4.538 20.967 1.00 22.83 O HETATM 2231 O HOH 186 60.604 -4.943 4.243 1.00 30.36 O HETATM 2232 O HOH 187 26.220 10.634 19.545 1.00 41.14 O HETATM 2233 O HOH 188 40.835 19.367 29.408 1.00 38.15 O HETATM 2234 O HOH 189 69.982 2.214 13.333 1.00 34.90 O HETATM 2235 O HOH 190 73.031 13.920 0.780 1.00 44.93 O HETATM 2236 O HOH 191 47.508 17.910 -1.383 1.00 45.84 O HETATM 2237 O HOH 192 67.016 -2.384 19.107 1.00 31.00 O HETATM 2238 O HOH 193 60.834 9.772 26.130 1.00 43.37 O HETATM 2239 O HOH 194 69.710 -0.693 14.988 1.00 38.45 O HETATM 2240 O HOH 195 69.089 -8.164 12.300 1.00 43.14 O HETATM 2241 O HOH 196 59.303 18.342 -8.271 1.00 44.89 O HETATM 2242 O HOH 197 67.565 3.874 -12.044 1.00 38.61 O HETATM 2243 O HOH 198 56.314 -4.126 -3.613 1.00 30.32 O HETATM 2244 O HOH 199 22.836 2.136 20.651 1.00 30.33 O HETATM 2245 O HOH 200 43.498 13.505 30.322 1.00 37.20 O HETATM 2246 O HOH 201 61.361 21.558 -5.002 1.00 35.85 O HETATM 2247 O HOH 202 25.445 8.556 22.228 1.00 49.90 O HETATM 2248 O HOH 203 76.108 14.547 10.311 1.00 27.68 O HETATM 2249 O HOH 204 45.892 -11.262 16.401 1.00 55.04 O HETATM 2250 O HOH 205 53.397 23.877 18.035 1.00 43.17 O HETATM 2251 O HOH 206 53.227 22.484 6.519 1.00 39.56 O HETATM 2252 O HOH 207 69.378 14.549 20.266 1.00 47.03 O HETATM 2253 O HOH 208 53.936 25.130 13.446 1.00 53.88 O HETATM 2254 O HOH 209 70.447 9.446 19.538 1.00 41.42 O HETATM 2255 O HOH 210 41.887 13.639 27.822 1.00 31.86 O HETATM 2256 O HOH 211 46.375 5.900 33.760 1.00 49.68 O HETATM 2257 O HOH 212 61.015 20.482 18.036 1.00 44.02 O HETATM 2258 O HOH 213 29.861 13.241 23.658 1.00 45.46 O HETATM 2259 O HOH 214 59.918 12.124 25.998 1.00 37.03 O HETATM 2260 O HOH 215 46.273 26.885 20.616 1.00 38.73 O HETATM 2261 O HOH 216 62.538 14.516 -3.738 1.00 35.54 O HETATM 2262 O HOH 217 38.138 6.842 3.544 1.00 33.15 O HETATM 2263 O HOH 218 74.236 11.709 14.660 1.00 47.64 O HETATM 2264 O HOH 219 52.222 8.901 29.874 1.00 42.92 O HETATM 2265 O HOH 220 38.661 9.826 5.120 1.00 32.19 O HETATM 2266 O HOH 221 29.181 12.083 12.885 1.00 33.02 O HETATM 2267 O HOH 222 68.490 2.902 22.760 1.00 38.37 O HETATM 2268 O HOH 223 62.477 -6.910 16.250 1.00 34.26 O HETATM 2269 O HOH 224 55.889 0.001 24.940 1.00 42.86 O HETATM 2270 O HOH 225 60.188 0.242 22.186 1.00 42.72 O HETATM 2271 O HOH 226 39.661 12.874 -1.323 1.00 29.82 O HETATM 2272 O HOH 227 33.783 14.480 25.301 1.00 27.78 O HETATM 2273 O HOH 228 38.209 -8.339 18.235 1.00 34.45 O HETATM 2274 O HOH 229 58.039 -1.615 22.472 1.00 38.58 O HETATM 2275 O HOH 230 66.701 9.192 27.136 1.00 42.35 O HETATM 2276 O HOH 231 30.175 -4.822 8.573 1.00 43.23 O HETATM 2277 C1 UNN A 232 48.758 19.474 10.811 1.00 0.02 C HETATM 2278 C2 UNN A 232 49.291 20.717 11.517 1.00 0.09 C HETATM 2279 N3 UNN A 232 50.376 20.558 12.484 1.00 -0.26 N HETATM 2280 C4 UNN A 232 50.111 20.286 13.804 1.00 0.23 C HETATM 2281 C6 UNN A 232 51.226 20.025 14.778 1.00 0.13 C HETATM 2282 C7 UNN A 232 51.415 18.497 14.960 1.00 -0.02 C HETATM 2283 C8 UNN A 232 52.653 18.078 15.796 1.00 -0.05 C HETATM 2284 C9 UNN A 232 53.838 18.969 15.445 1.00 -0.05 C HETATM 2285 C10 UNN A 232 53.541 20.483 15.464 1.00 -0.05 C HETATM 2286 C11 UNN A 232 52.547 20.657 14.354 1.00 -0.02 C HETATM 2287 H12 UNN A 232 52.398 21.729 14.155 1.00 0.03 H HETATM 2288 H13 UNN A 232 52.918 20.163 13.444 1.00 0.03 H HETATM 2289 H10 UNN A 232 54.454 21.066 15.270 1.00 0.03 H HETATM 2290 H11 UNN A 232 53.110 20.787 16.429 1.00 0.03 H HETATM 2291 H8 UNN A 232 54.180 18.701 14.434 1.00 0.03 H HETATM 2292 H9 UNN A 232 54.642 18.770 16.169 1.00 0.03 H HETATM 2293 H6 UNN A 232 52.906 17.030 15.575 1.00 0.03 H HETATM 2294 H7 UNN A 232 52.423 18.181 16.867 1.00 0.03 H HETATM 2295 H4 UNN A 232 51.510 18.045 13.962 1.00 0.03 H HETATM 2296 H5 UNN A 232 50.518 18.100 15.458 1.00 0.03 H HETATM 2297 N12 UNN A 232 50.803 20.592 16.030 1.00 -0.28 N HETATM 2298 C13 UNN A 232 50.507 21.912 16.164 1.00 0.20 C HETATM 2299 O14 UNN A 232 50.613 22.760 15.236 1.00 -0.39 O HETATM 2300 C15 UNN A 232 49.790 22.280 17.400 1.00 0.07 C HETATM 2301 C16 UNN A 232 48.887 23.331 17.478 1.00 0.06 C HETATM 2302 C17 UNN A 232 48.128 23.550 18.623 1.00 -0.02 C HETATM 2303 C18 UNN A 232 48.263 22.685 19.676 1.00 0.03 C HETATM 2304 C19 UNN A 232 49.151 21.644 19.622 1.00 -0.06 C HETATM 2305 C20 UNN A 232 49.879 21.427 18.464 1.00 -0.05 C HETATM 2306 H19 UNN A 232 50.532 20.564 18.400 1.00 0.06 H HETATM 2307 H18 UNN A 232 49.283 20.994 20.480 1.00 0.05 H HETATM 2308 CL2 UNN A 232 47.301 22.874 21.171 1.00 -0.07 CL HETATM 2309 H17 UNN A 232 47.443 24.389 18.681 1.00 0.05 H HETATM 2310 N21 UNN A 232 48.687 24.294 16.427 1.00 -0.33 N HETATM 2311 H20 UNN A 232 49.209 24.208 15.543 1.00 0.17 H HETATM 2312 H21 UNN A 232 48.022 25.069 16.559 1.00 0.17 H HETATM 2313 H16 UNN A 232 50.724 19.995 16.829 1.00 0.18 H HETATM 2314 O5 UNN A 232 48.952 20.248 14.177 1.00 -0.34 O HETATM 2315 H14 UNN A 232 51.324 20.649 12.180 1.00 0.19 H HETATM 2316 H2 UNN A 232 48.445 21.175 12.050 1.00 0.08 H HETATM 2317 H3 UNN A 232 49.649 21.405 10.737 1.00 0.08 H HETATM 2318 N1 UNN A 232 48.032 19.691 9.779 1.00 -0.36 N HETATM 2319 H15 UNN A 232 47.646 18.916 9.263 1.00 0.11 H HETATM 2320 H1 UNN A 232 48.981 18.468 11.162 1.00 0.12 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 216 215 583 CONECT 525 524 897 CONECT 583 216 582 CONECT 897 525 896 CONECT 1461 1460 1947 CONECT 1947 1461 1946 CONECT 2277 2278 2318 2320 CONECT 2278 2277 2279 2316 2317 CONECT 2279 2278 2280 2315 CONECT 2280 2279 2281 2314 CONECT 2281 2280 2282 2286 2297 CONECT 2282 2281 2283 2295 2296 CONECT 2283 2282 2284 2293 2294 CONECT 2284 2283 2285 2291 2292 CONECT 2285 2284 2286 2289 2290 CONECT 2286 2281 2285 2287 2288 CONECT 2287 2286 CONECT 2288 2286 CONECT 2289 2285 CONECT 2290 2285 CONECT 2291 2284 CONECT 2292 2284 CONECT 2293 2283 CONECT 2294 2283 CONECT 2295 2282 CONECT 2296 2282 CONECT 2297 2281 2298 2313 CONECT 2298 2297 2299 2300 CONECT 2299 2298 CONECT 2300 2298 2301 2305 CONECT 2301 2300 2302 2310 CONECT 2302 2301 2303 2309 CONECT 2303 2302 2304 2308 CONECT 2304 2303 2305 2307 CONECT 2305 2300 2304 2306 CONECT 2306 2305 CONECT 2307 2304 CONECT 2308 2303 CONECT 2309 2302 CONECT 2310 2301 2311 2312 CONECT 2311 2310 CONECT 2312 2310 CONECT 2313 2297 CONECT 2314 2280 CONECT 2315 2279 CONECT 2316 2278 CONECT 2317 2278 CONECT 2318 2277 2319 CONECT 2319 2318 CONECT 2320 2277 MASTER 0 0 0 0 0 0 0 0 2319 1 54 17 END
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Related entries of code: 4x6j
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
215aa, >1AU0_1|Chain... at 100%
1au2
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PDBbind
215aa, >1AU2_1|Chain... at 100%
1ayu
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215aa, >1AYU_1|Chain... at 100%
1ayv
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PDBbind
215aa, >1AYV_1|Chain... at 100%
1bgo
RCSB PDB
PDBbind
215aa, >1BGO_1|Chain... at 100%
1mem
RCSB PDB
PDBbind
215aa, >1MEM_1|Chain... at 100%
1nl6
RCSB PDB
PDBbind
215aa, >1NL6_1|Chains... at 100%
1nlj
RCSB PDB
PDBbind
215aa, >1NLJ_1|Chains... at 100%
1q6k
RCSB PDB
PDBbind
215aa, >1Q6K_1|Chain... at 100%
1snk
RCSB PDB
PDBbind
214aa, >1SNK_1|Chain... at 100%
1tu6
RCSB PDB
PDBbind
215aa, >1TU6_1|Chains... at 100%
1u9v
RCSB PDB
PDBbind
217aa, >1U9V_1|Chain... *
1u9w
RCSB PDB
PDBbind
217aa, >1U9W_1|Chain... at 100%
1u9x
RCSB PDB
PDBbind
217aa, >1U9X_1|Chain... at 100%
1vsn
RCSB PDB
PDBbind
215aa, >1VSN_1|Chain... at 93%
1yk7
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PDBbind
215aa, >1YK7_1|Chain... at 100%
1yt7
RCSB PDB
PDBbind
215aa, >1YT7_1|Chain... at 100%
2aux
RCSB PDB
PDBbind
215aa, >2AUX_1|Chain... at 100%
2auz
RCSB PDB
PDBbind
215aa, >2AUZ_1|Chain... at 100%
2bdl
RCSB PDB
PDBbind
215aa, >2BDL_1|Chain... at 100%
2ftd
RCSB PDB
PDBbind
215aa, >2FTD_1|Chains... at 100%
2r6n
RCSB PDB
PDBbind
217aa, >2R6N_1|Chain... at 100%
3c9e
RCSB PDB
PDBbind
215aa, >3C9E_1|Chain... at 100%
3kw9
RCSB PDB
PDBbind
215aa, >3KW9_1|Chain... at 100%
3kwb
RCSB PDB
PDBbind
215aa, >3KWB_1|Chains... at 100%
3kwz
RCSB PDB
PDBbind
215aa, >3KWZ_1|Chain... at 100%
3kx1
RCSB PDB
PDBbind
215aa, >3KX1_1|Chain... at 100%
3o0u
RCSB PDB
PDBbind
215aa, >3O0U_1|Chain... at 100%
3o1g
RCSB PDB
PDBbind
215aa, >3O1G_1|Chain... at 100%
3ovz
RCSB PDB
PDBbind
213aa, >3OVZ_1|Chain... at 100%
4dmy
RCSB PDB
PDBbind
215aa, >4DMY_1|Chains... at 100%
4x6h
RCSB PDB
PDBbind
215aa, >4X6H_1|Chain... at 100%
4x6i
RCSB PDB
PDBbind
215aa, >4X6I_1|Chain... at 100%
4yv8
RCSB PDB
PDBbind
215aa, >4YV8_1|Chain... at 100%
5tdi
RCSB PDB
PDBbind
215aa, >5TDI_1|Chain... at 99%
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215aa, >6HGY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4x6j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cathepsin K
Ligand Name
3Y2
EC.Number
E.C.3.4.22.38
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
Ki=16nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6928-6937
Ligand Properties
Formula
C
1
6
H
2
1
ClN
4
O
2
Molecular Weight
336.817
Exact Mass
336.135
No. of atoms
44
No. of bonds
45
Polar Surface Area
108.07
LOGP Value
2.26 (
Computed with XLOGP3
)
3.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
N=CCNC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1N)Cl
InChI String
InChI=1S/C16H21ClN4O2/c17-11-4-5-12(13(19)10-11)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,8,10,18H,1-3,6-7,9,19H2,(H,20,23)(H,21,22)/b18-8+
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):
P43235
Entrez Gene ID
NCBI Entrez Gene ID:
1513
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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