Browse entries in the PDBbind-CN Database
HEADER 1ZM6_COMPLEX COMPND 1ZM6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 ASN LEU TYR GLN PHE LYS ASN MET ILE GLN CYS THR VAL SEQRES 2 A 119 PRO SER ARG SER TRP ALA ASP PHE ALA ASP TYR GLY CYS SEQRES 3 A 119 TYR CYS GLY LYS GLY GLY SER GLY THR PRO VAL ASP ASP SEQRES 4 A 119 LEU ASP ARG CYS CYS GLN THR HIS ASP ASN CYS TYR ASN SEQRES 5 A 119 GLU ALA GLU ASN ILE SER GLY CYS ARG PRO TYR PHE LYS SEQRES 6 A 119 THR TYR SER TYR GLU CYS THR GLN GLY THR LEU THR CYS SEQRES 7 A 119 LYS GLY ASP ASN ASN ALA CYS ALA ALA SER VAL CYS ASP SEQRES 8 A 119 CYS ASP ARG LEU ALA ALA ILE CYS PHE ALA GLY ALA PRO SEQRES 9 A 119 TYR ASN ASP ASP ASN TYR ASN ILE ASP LEU LYS ALA ARG SEQRES 10 A 119 CYS ASN HET LEU A 180 83 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 11 CYS A 72 SSBOND 3 CYS A 61 CYS A 86 SSBOND 4 CYS A 79 CYS A 91 SSBOND 5 CYS A 51 CYS A 93 SSBOND 6 CYS A 44 CYS A 100 SSBOND 7 CYS A 27 CYS A 119 ATOM 1 N ASN A 1 43.743 28.711 -9.757 1.00 19.84 N ATOM 2 CA ASN A 1 42.389 29.200 -9.935 1.00 25.82 C ATOM 3 C ASN A 1 41.426 28.529 -8.946 1.00 25.74 C ATOM 4 O ASN A 1 41.711 27.473 -8.371 1.00 24.35 O ATOM 5 CB ASN A 1 41.938 29.003 -11.392 1.00 23.08 C ATOM 6 CG ASN A 1 41.685 27.555 -11.716 1.00 27.74 C ATOM 7 OD1 ASN A 1 40.919 26.884 -11.028 1.00 29.91 O ATOM 8 ND2 ASN A 1 42.329 27.059 -12.765 1.00 30.51 N ATOM 9 HA ASN A 1 42.374 30.269 -9.721 1.00 0.00 H ATOM 10 HB2 ASN A 1 41.019 29.566 -11.555 1.00 0.00 H ATOM 11 HB3 ASN A 1 42.716 29.381 -12.055 1.00 0.00 H ATOM 12 HD22 ASN A 1 42.968 27.666 -13.318 1.00 0.00 H ATOM 13 HD21 ASN A 1 42.195 26.063 -13.034 1.00 0.00 H ATOM 14 HN3 ASN A 1 43.763 27.684 -9.917 1.00 0.00 H ATOM 15 HN2 ASN A 1 44.061 28.919 -8.789 1.00 0.00 H ATOM 16 HN1 ASN A 1 44.373 29.181 -10.438 1.00 0.00 H ATOM 17 N LEU A 2 40.257 29.192 -8.753 1.00 28.08 N ATOM 18 CA LEU A 2 39.155 28.846 -7.838 1.00 30.03 C ATOM 19 C LEU A 2 38.543 27.494 -7.951 1.00 28.01 C ATOM 20 O LEU A 2 37.790 27.035 -7.095 1.00 27.41 O ATOM 21 CB LEU A 2 38.129 29.920 -7.920 1.00 27.87 C ATOM 22 CG LEU A 2 38.444 30.898 -6.802 1.00 35.60 C ATOM 23 CD1 LEU A 2 39.833 31.479 -6.986 1.00 30.25 C ATOM 24 CD2 LEU A 2 37.409 32.018 -6.754 1.00 35.41 C ATOM 25 HA LEU A 2 39.617 28.783 -6.853 1.00 0.00 H ATOM 26 HB2 LEU A 2 38.183 30.421 -8.886 1.00 0.00 H ATOM 27 HB3 LEU A 2 37.132 29.501 -7.785 1.00 0.00 H ATOM 28 HG LEU A 2 38.410 30.357 -5.857 1.00 0.00 H ATOM 29 HD21 LEU A 2 37.412 32.555 -7.703 1.00 0.00 H ATOM 30 HD22 LEU A 2 36.421 31.591 -6.580 1.00 0.00 H ATOM 31 HD23 LEU A 2 37.657 32.705 -5.945 1.00 0.00 H ATOM 32 HD11 LEU A 2 40.567 30.673 -6.972 1.00 0.00 H ATOM 33 HD12 LEU A 2 39.883 32.002 -7.941 1.00 0.00 H ATOM 34 HD13 LEU A 2 40.043 32.178 -6.176 1.00 0.00 H ATOM 35 H LEU A 2 40.122 30.052 -9.322 1.00 0.00 H ATOM 36 N TYR A 3 38.901 26.856 -9.066 1.00 24.32 N ATOM 37 CA TYR A 3 38.512 25.480 -9.323 1.00 20.54 C ATOM 38 C TYR A 3 39.530 24.679 -8.503 1.00 16.10 C ATOM 39 O TYR A 3 39.166 23.775 -7.755 1.00 14.81 O ATOM 40 CB TYR A 3 38.591 25.088 -10.799 1.00 25.85 C ATOM 41 CG TYR A 3 38.394 23.614 -11.058 1.00 28.89 C ATOM 42 CD1 TYR A 3 37.181 22.992 -10.766 1.00 28.55 C ATOM 43 CD2 TYR A 3 39.424 22.837 -11.582 1.00 28.41 C ATOM 44 CE1 TYR A 3 37.000 21.639 -10.985 1.00 25.92 C ATOM 45 CE2 TYR A 3 39.249 21.479 -11.805 1.00 30.93 C ATOM 46 CZ TYR A 3 38.034 20.890 -11.505 1.00 28.30 C ATOM 47 OH TYR A 3 37.846 19.551 -11.739 1.00 36.05 O ATOM 48 HA TYR A 3 37.471 25.302 -9.055 1.00 0.00 H ATOM 49 HB3 TYR A 3 39.573 25.374 -11.177 1.00 0.00 H ATOM 50 HB2 TYR A 3 37.821 25.637 -11.341 1.00 0.00 H ATOM 51 HD2 TYR A 3 40.381 23.302 -11.820 1.00 0.00 H ATOM 52 HE2 TYR A 3 40.063 20.880 -12.214 1.00 0.00 H ATOM 53 HE1 TYR A 3 36.046 21.168 -10.748 1.00 0.00 H ATOM 54 HD1 TYR A 3 36.361 23.583 -10.358 1.00 0.00 H ATOM 55 HH TYR A 3 36.928 19.296 -11.470 1.00 0.00 H ATOM 56 H TYR A 3 39.476 27.358 -9.772 1.00 0.00 H ATOM 57 N GLN A 4 40.803 25.044 -8.647 1.00 11.69 N ATOM 58 CA GLN A 4 41.911 24.414 -7.934 1.00 10.14 C ATOM 59 C GLN A 4 41.868 24.727 -6.432 1.00 12.74 C ATOM 60 O GLN A 4 42.180 23.875 -5.603 1.00 13.71 O ATOM 61 CB GLN A 4 43.243 24.813 -8.551 1.00 2.85 C ATOM 62 CG GLN A 4 43.369 24.510 -10.054 1.00 4.24 C ATOM 63 CD GLN A 4 44.606 25.095 -10.714 1.00 15.62 C ATOM 64 OE1 GLN A 4 44.677 26.309 -10.967 1.00 22.94 O ATOM 65 NE2 GLN A 4 45.689 24.430 -11.089 1.00 10.24 N ATOM 66 HA GLN A 4 41.804 23.334 -8.036 1.00 0.00 H ATOM 67 HB2 GLN A 4 43.377 25.885 -8.408 1.00 0.00 H ATOM 68 HB3 GLN A 4 44.035 24.276 -8.028 1.00 0.00 H ATOM 69 HG2 GLN A 4 43.394 23.428 -10.182 1.00 0.00 H ATOM 70 HG3 GLN A 4 42.491 24.914 -10.558 1.00 0.00 H ATOM 71 HE22 GLN A 4 45.750 23.404 -10.931 1.00 0.00 H ATOM 72 HE21 GLN A 4 46.478 24.934 -11.542 1.00 0.00 H ATOM 73 H GLN A 4 41.020 25.821 -9.304 1.00 0.00 H ATOM 74 N PHE A 5 41.517 25.954 -6.084 1.00 19.16 N ATOM 75 CA PHE A 5 41.381 26.362 -4.683 1.00 21.64 C ATOM 76 C PHE A 5 40.281 25.480 -4.091 1.00 24.90 C ATOM 77 O PHE A 5 40.400 25.006 -2.966 1.00 24.08 O ATOM 78 CB PHE A 5 40.976 27.853 -4.606 1.00 24.60 C ATOM 79 CG PHE A 5 40.831 28.521 -3.256 1.00 27.47 C ATOM 80 CD1 PHE A 5 41.668 28.211 -2.183 1.00 28.15 C ATOM 81 CD2 PHE A 5 39.858 29.514 -3.048 1.00 28.42 C ATOM 82 CE1 PHE A 5 41.537 28.878 -0.946 1.00 28.48 C ATOM 83 CE2 PHE A 5 39.716 30.187 -1.846 1.00 27.65 C ATOM 84 CZ PHE A 5 40.561 29.871 -0.782 1.00 26.32 C ATOM 85 HA PHE A 5 42.317 26.248 -4.136 1.00 0.00 H ATOM 86 HB2 PHE A 5 41.730 28.415 -5.158 1.00 0.00 H ATOM 87 HB3 PHE A 5 40.014 27.946 -5.110 1.00 0.00 H ATOM 88 HD2 PHE A 5 39.186 29.765 -3.869 1.00 0.00 H ATOM 89 HE2 PHE A 5 38.952 30.956 -1.732 1.00 0.00 H ATOM 90 HZ PHE A 5 40.463 30.392 0.170 1.00 0.00 H ATOM 91 HE1 PHE A 5 42.196 28.621 -0.117 1.00 0.00 H ATOM 92 HD1 PHE A 5 42.433 27.444 -2.302 1.00 0.00 H ATOM 93 H PHE A 5 41.331 26.654 -6.831 1.00 0.00 H ATOM 94 N LYS A 6 39.223 25.288 -4.878 1.00 24.82 N ATOM 95 CA LYS A 6 38.088 24.453 -4.496 1.00 28.06 C ATOM 96 C LYS A 6 38.598 23.067 -4.153 1.00 27.13 C ATOM 97 O LYS A 6 38.301 22.522 -3.094 1.00 26.01 O ATOM 98 CB LYS A 6 37.040 24.362 -5.629 1.00 35.33 C ATOM 99 CG LYS A 6 35.942 23.313 -5.426 1.00 41.77 C ATOM 100 CD LYS A 6 35.013 23.213 -6.637 1.00 47.78 C ATOM 101 CE LYS A 6 35.654 22.381 -7.732 1.00 51.68 C ATOM 102 NZ LYS A 6 35.492 20.917 -7.486 1.00 52.26 N ATOM 103 HA LYS A 6 37.598 24.904 -3.633 1.00 0.00 H ATOM 104 HB2 LYS A 6 36.561 25.337 -5.723 1.00 0.00 H ATOM 105 HB3 LYS A 6 37.565 24.125 -6.555 1.00 0.00 H ATOM 106 HG2 LYS A 6 36.409 22.342 -5.259 1.00 0.00 H ATOM 107 HG3 LYS A 6 35.352 23.586 -4.551 1.00 0.00 H ATOM 108 HD2 LYS A 6 34.076 22.746 -6.333 1.00 0.00 H ATOM 109 HD3 LYS A 6 34.811 24.214 -7.018 1.00 0.00 H ATOM 110 HE2 LYS A 6 36.718 22.616 -7.776 1.00 0.00 H ATOM 111 HE3 LYS A 6 35.188 22.632 -8.685 1.00 0.00 H ATOM 112 HZ1 LYS A 6 35.940 20.667 -6.581 1.00 0.00 H ATOM 113 HZ2 LYS A 6 34.479 20.683 -7.449 1.00 0.00 H ATOM 114 HZ3 LYS A 6 35.944 20.385 -8.257 1.00 0.00 H ATOM 115 H LYS A 6 39.205 25.755 -5.807 1.00 0.00 H ATOM 116 N ASN A 7 39.364 22.499 -5.076 1.00 26.72 N ATOM 117 CA ASN A 7 39.923 21.173 -4.888 1.00 27.63 C ATOM 118 C ASN A 7 40.915 21.122 -3.740 1.00 26.17 C ATOM 119 O ASN A 7 41.086 20.072 -3.119 1.00 27.32 O ATOM 120 CB ASN A 7 40.578 20.701 -6.181 1.00 27.74 C ATOM 121 CG ASN A 7 39.584 20.070 -7.132 1.00 33.52 C ATOM 122 OD1 ASN A 7 39.254 18.886 -7.014 1.00 32.90 O ATOM 123 ND2 ASN A 7 39.085 20.863 -8.074 1.00 36.97 N ATOM 124 HA ASN A 7 39.103 20.503 -4.628 1.00 0.00 H ATOM 125 HB2 ASN A 7 41.039 21.557 -6.673 1.00 0.00 H ATOM 126 HB3 ASN A 7 41.345 19.966 -5.938 1.00 0.00 H ATOM 127 HD22 ASN A 7 39.392 21.855 -8.136 1.00 0.00 H ATOM 128 HD21 ASN A 7 38.387 20.492 -8.750 1.00 0.00 H ATOM 129 H ASN A 7 39.568 23.016 -5.955 1.00 0.00 H ATOM 130 N MET A 8 41.571 22.246 -3.460 1.00 21.57 N ATOM 131 CA MET A 8 42.521 22.292 -2.359 1.00 22.40 C ATOM 132 C MET A 8 41.736 22.139 -1.064 1.00 26.88 C ATOM 133 O MET A 8 42.058 21.303 -0.216 1.00 25.25 O ATOM 134 CB MET A 8 43.269 23.622 -2.332 1.00 23.39 C ATOM 135 CG MET A 8 44.410 23.742 -3.318 1.00 21.70 C ATOM 136 SD MET A 8 45.607 24.971 -2.749 1.00 22.95 S ATOM 137 CE MET A 8 46.882 24.834 -4.010 1.00 20.39 C ATOM 138 HA MET A 8 43.254 21.494 -2.480 1.00 0.00 H ATOM 139 HB2 MET A 8 42.553 24.416 -2.546 1.00 0.00 H ATOM 140 HB3 MET A 8 43.674 23.761 -1.330 1.00 0.00 H ATOM 141 HG2 MET A 8 44.016 24.046 -4.288 1.00 0.00 H ATOM 142 HG3 MET A 8 44.905 22.776 -3.414 1.00 0.00 H ATOM 143 HE1 MET A 8 47.276 23.818 -4.018 1.00 0.00 H ATOM 144 HE2 MET A 8 46.453 25.066 -4.985 1.00 0.00 H ATOM 145 HE3 MET A 8 47.687 25.535 -3.789 1.00 0.00 H ATOM 146 H MET A 8 41.403 23.098 -4.033 1.00 0.00 H ATOM 147 N ILE A 9 40.703 22.964 -0.921 1.00 28.20 N ATOM 148 CA ILE A 9 39.848 22.932 0.258 1.00 27.19 C ATOM 149 C ILE A 9 39.306 21.519 0.484 1.00 25.65 C ATOM 150 O ILE A 9 39.314 21.008 1.603 1.00 22.74 O ATOM 151 CB ILE A 9 38.653 23.916 0.100 1.00 27.65 C ATOM 152 CG1 ILE A 9 39.173 25.359 -0.004 1.00 35.01 C ATOM 153 CG2 ILE A 9 37.699 23.779 1.281 1.00 27.63 C ATOM 154 CD1 ILE A 9 38.082 26.432 -0.155 1.00 26.74 C ATOM 155 HA ILE A 9 40.449 23.234 1.115 1.00 0.00 H ATOM 156 HB ILE A 9 38.110 23.672 -0.813 1.00 0.00 H ATOM 157 HG12 ILE A 9 39.742 25.580 0.899 1.00 0.00 H ATOM 158 HG13 ILE A 9 39.831 25.420 -0.871 1.00 0.00 H ATOM 159 HD11 ILE A 9 37.508 26.240 -1.061 1.00 0.00 H ATOM 160 HD12 ILE A 9 37.420 26.399 0.710 1.00 0.00 H ATOM 161 HD13 ILE A 9 38.548 27.415 -0.220 1.00 0.00 H ATOM 162 HG21 ILE A 9 37.319 22.758 1.323 1.00 0.00 H ATOM 163 HG22 ILE A 9 38.231 24.008 2.205 1.00 0.00 H ATOM 164 HG23 ILE A 9 36.868 24.473 1.157 1.00 0.00 H ATOM 165 H ILE A 9 40.499 23.653 -1.673 1.00 0.00 H ATOM 166 N GLN A 10 38.848 20.894 -0.594 1.00 26.54 N ATOM 167 CA GLN A 10 38.283 19.552 -0.536 1.00 31.43 C ATOM 168 C GLN A 10 39.250 18.448 -0.101 1.00 31.50 C ATOM 169 O GLN A 10 38.824 17.347 0.243 1.00 25.85 O ATOM 170 CB GLN A 10 37.704 19.173 -1.899 1.00 34.54 C ATOM 171 CG GLN A 10 36.481 19.961 -2.312 1.00 43.52 C ATOM 172 CD GLN A 10 35.855 19.412 -3.579 1.00 49.67 C ATOM 173 OE1 GLN A 10 34.822 19.898 -4.040 1.00 52.15 O ATOM 174 NE2 GLN A 10 36.483 18.388 -4.151 1.00 53.15 N ATOM 175 HA GLN A 10 37.517 19.610 0.238 1.00 0.00 H ATOM 176 HB2 GLN A 10 38.477 19.329 -2.651 1.00 0.00 H ATOM 177 HB3 GLN A 10 37.434 18.117 -1.871 1.00 0.00 H ATOM 178 HG2 GLN A 10 35.746 19.918 -1.508 1.00 0.00 H ATOM 179 HG3 GLN A 10 36.771 20.998 -2.483 1.00 0.00 H ATOM 180 HE22 GLN A 10 37.354 18.009 -3.727 1.00 0.00 H ATOM 181 HE21 GLN A 10 36.103 17.966 -5.023 1.00 0.00 H ATOM 182 H GLN A 10 38.894 21.379 -1.513 1.00 0.00 H ATOM 183 N CYS A 11 40.544 18.731 -0.113 1.00 31.79 N ATOM 184 CA CYS A 11 41.496 17.702 0.250 1.00 38.86 C ATOM 185 C CYS A 11 42.166 17.927 1.596 1.00 41.52 C ATOM 186 O CYS A 11 42.895 17.065 2.083 1.00 45.94 O ATOM 187 CB CYS A 11 42.550 17.563 -0.852 1.00 41.62 C ATOM 188 SG CYS A 11 43.992 18.650 -0.681 1.00 44.99 S ATOM 189 HA CYS A 11 40.928 16.777 0.352 1.00 0.00 H ATOM 190 HB2 CYS A 11 42.072 17.784 -1.806 1.00 0.00 H ATOM 191 HB3 CYS A 11 42.903 16.532 -0.854 1.00 0.00 H ATOM 192 H CYS A 11 40.872 19.681 -0.380 1.00 0.00 H ATOM 193 N THR A 12 41.922 19.081 2.199 1.00 40.50 N ATOM 194 CA THR A 12 42.508 19.373 3.494 1.00 42.76 C ATOM 195 C THR A 12 41.400 19.351 4.528 1.00 44.35 C ATOM 196 O THR A 12 41.637 19.075 5.704 1.00 45.59 O ATOM 197 CB THR A 12 43.185 20.760 3.516 1.00 46.15 C ATOM 198 OG1 THR A 12 42.232 21.764 3.149 1.00 51.95 O ATOM 199 CG2 THR A 12 44.352 20.803 2.547 1.00 45.64 C ATOM 200 HA THR A 12 43.271 18.625 3.709 1.00 0.00 H ATOM 201 HB THR A 12 43.556 20.947 4.524 1.00 0.00 H ATOM 202 HG1 THR A 12 41.892 21.577 2.238 1.00 0.00 H ATOM 203 HG23 THR A 12 45.080 20.040 2.823 1.00 0.00 H ATOM 204 HG21 THR A 12 43.991 20.614 1.536 1.00 0.00 H ATOM 205 HG22 THR A 12 44.821 21.786 2.588 1.00 0.00 H ATOM 206 H THR A 12 41.306 19.783 1.741 1.00 0.00 H ATOM 207 N VAL A 13 40.181 19.628 4.073 1.00 46.51 N ATOM 208 CA VAL A 13 39.023 19.652 4.956 1.00 48.32 C ATOM 209 C VAL A 13 37.909 18.763 4.460 1.00 50.83 C ATOM 210 O VAL A 13 36.834 19.214 4.103 1.00 52.79 O ATOM 211 CB VAL A 13 38.495 21.098 5.117 1.00 46.60 C ATOM 212 CG1 VAL A 13 37.602 21.227 6.342 1.00 46.67 C ATOM 213 CG2 VAL A 13 39.656 22.068 5.222 1.00 44.70 C ATOM 214 HA VAL A 13 39.353 19.270 5.922 1.00 0.00 H ATOM 215 HB VAL A 13 37.900 21.338 4.236 1.00 0.00 H ATOM 216 HG11 VAL A 13 36.750 20.555 6.241 1.00 0.00 H ATOM 217 HG12 VAL A 13 38.171 20.963 7.234 1.00 0.00 H ATOM 218 HG13 VAL A 13 37.248 22.255 6.426 1.00 0.00 H ATOM 219 HG21 VAL A 13 40.266 21.811 6.088 1.00 0.00 H ATOM 220 HG22 VAL A 13 40.262 22.006 4.318 1.00 0.00 H ATOM 221 HG23 VAL A 13 39.272 23.082 5.335 1.00 0.00 H ATOM 222 H VAL A 13 40.052 19.833 3.062 1.00 0.00 H ATOM 223 N PRO A 14 38.181 17.446 4.454 1.00 53.32 N ATOM 224 CA PRO A 14 37.187 16.466 3.908 1.00 57.61 C ATOM 225 C PRO A 14 35.759 16.525 4.363 1.00 62.09 C ATOM 226 O PRO A 14 34.799 16.554 3.581 1.00 63.50 O ATOM 227 CB PRO A 14 37.857 15.135 4.130 1.00 54.00 C ATOM 228 CG PRO A 14 39.278 15.433 3.827 1.00 52.84 C ATOM 229 CD PRO A 14 39.494 16.893 4.084 1.00 54.67 C ATOM 230 HA PRO A 14 36.987 16.710 2.864 1.00 0.00 H ATOM 231 HD3 PRO A 14 40.205 17.032 4.898 1.00 0.00 H ATOM 232 HD2 PRO A 14 39.871 17.383 3.186 1.00 0.00 H ATOM 233 HG3 PRO A 14 39.493 15.202 2.784 1.00 0.00 H ATOM 234 HG2 PRO A 14 39.929 14.841 4.470 1.00 0.00 H ATOM 235 HB2 PRO A 14 37.736 14.800 5.160 1.00 0.00 H ATOM 236 HB3 PRO A 14 37.461 14.377 3.454 1.00 0.00 H ATOM 237 N SER A 15 35.615 16.550 5.682 1.00 64.39 N ATOM 238 CA SER A 15 34.339 16.544 6.314 1.00 64.63 C ATOM 239 C SER A 15 33.485 17.725 5.902 1.00 65.94 C ATOM 240 O SER A 15 32.256 17.664 6.042 1.00 66.71 O ATOM 241 CB SER A 15 34.520 16.574 7.836 1.00 64.93 C ATOM 242 OG SER A 15 35.568 17.449 8.208 1.00 63.64 O ATOM 243 HA SER A 15 33.829 15.633 6.000 1.00 0.00 H ATOM 244 HB2 SER A 15 34.754 15.569 8.187 1.00 0.00 H ATOM 245 HB3 SER A 15 33.593 16.912 8.298 1.00 0.00 H ATOM 246 HG SER A 15 36.414 17.144 7.794 1.00 0.00 H ATOM 247 H SER A 15 36.467 16.575 6.277 1.00 0.00 H ATOM 248 N ARG A 17 34.049 18.808 5.430 1.00 67.04 N ATOM 249 CA ARG A 17 33.203 19.948 5.198 1.00 65.57 C ATOM 250 C ARG A 17 33.133 20.394 3.744 1.00 65.36 C ATOM 251 O ARG A 17 34.172 20.639 3.132 1.00 66.77 O ATOM 252 CB ARG A 17 33.707 21.084 6.070 1.00 66.27 C ATOM 253 CG ARG A 17 32.797 22.290 6.160 1.00 66.87 C ATOM 254 CD ARG A 17 33.025 23.015 7.469 1.00 65.94 C ATOM 255 NE ARG A 17 31.760 23.350 8.106 1.00 68.58 N ATOM 256 CZ ARG A 17 31.520 23.205 9.404 1.00 72.85 C ATOM 257 NH1 ARG A 17 32.465 22.729 10.208 1.00 73.59 N ATOM 258 NH2 ARG A 17 30.331 23.528 9.897 1.00 74.28 N ATOM 259 HA ARG A 17 32.184 19.658 5.454 1.00 0.00 H ATOM 260 HB2 ARG A 17 33.851 20.695 7.078 1.00 0.00 H ATOM 261 HB3 ARG A 17 34.665 21.415 5.670 1.00 0.00 H ATOM 262 HG2 ARG A 17 33.010 22.965 5.331 1.00 0.00 H ATOM 263 HG3 ARG A 17 31.758 21.964 6.104 1.00 0.00 H ATOM 264 HD2 ARG A 17 33.582 23.932 7.277 1.00 0.00 H ATOM 265 HD3 ARG A 17 33.602 22.374 8.136 1.00 0.00 H ATOM 266 HE ARG A 17 30.997 23.726 7.508 1.00 0.00 H ATOM 267 HH12 ARG A 17 32.275 22.616 11.224 1.00 0.00 H ATOM 268 HH11 ARG A 17 33.395 22.469 9.821 1.00 0.00 H ATOM 269 HH22 ARG A 17 30.141 23.415 10.913 1.00 0.00 H ATOM 270 HH21 ARG A 17 29.589 23.894 9.267 1.00 0.00 H ATOM 271 H ARG A 17 35.069 18.843 5.231 1.00 0.00 H ATOM 272 N SER A 18 31.927 20.499 3.194 1.00 64.46 N ATOM 273 CA SER A 18 31.764 20.935 1.814 1.00 64.01 C ATOM 274 C SER A 18 32.433 22.293 1.640 1.00 63.31 C ATOM 275 O SER A 18 32.410 23.123 2.550 1.00 65.11 O ATOM 276 CB SER A 18 30.281 21.047 1.463 1.00 63.46 C ATOM 277 OG SER A 18 30.110 21.637 0.186 1.00 63.19 O ATOM 278 HA SER A 18 32.225 20.204 1.150 1.00 0.00 H ATOM 279 HB2 SER A 18 29.782 21.663 2.211 1.00 0.00 H ATOM 280 HB3 SER A 18 29.838 20.051 1.459 1.00 0.00 H ATOM 281 HG SER A 18 29.144 21.700 -0.021 1.00 0.00 H ATOM 282 H SER A 18 31.086 20.266 3.759 1.00 0.00 H ATOM 283 N TRP A 19 33.034 22.516 0.477 1.00 61.56 N ATOM 284 CA TRP A 19 33.706 23.779 0.200 1.00 58.56 C ATOM 285 C TRP A 19 32.726 24.952 0.231 1.00 56.98 C ATOM 286 O TRP A 19 33.104 26.071 0.576 1.00 55.84 O ATOM 287 CB TRP A 19 34.386 23.727 -1.169 1.00 59.35 C ATOM 288 CG TRP A 19 33.431 23.445 -2.284 1.00 63.35 C ATOM 289 CD1 TRP A 19 33.044 22.220 -2.744 1.00 63.36 C ATOM 290 CD2 TRP A 19 32.700 24.411 -3.050 1.00 65.08 C ATOM 291 NE1 TRP A 19 32.117 22.362 -3.749 1.00 65.85 N ATOM 292 CE2 TRP A 19 31.885 23.697 -3.956 1.00 64.71 C ATOM 293 CE3 TRP A 19 32.648 25.813 -3.053 1.00 64.86 C ATOM 294 CZ2 TRP A 19 31.035 24.335 -4.864 1.00 63.67 C ATOM 295 CZ3 TRP A 19 31.802 26.448 -3.955 1.00 64.40 C ATOM 296 CH2 TRP A 19 31.005 25.706 -4.846 1.00 64.83 C ATOM 297 HA TRP A 19 34.454 23.931 0.979 1.00 0.00 H ATOM 298 HB2 TRP A 19 34.865 24.688 -1.356 1.00 0.00 H ATOM 299 HB3 TRP A 19 35.142 22.942 -1.152 1.00 0.00 H ATOM 300 HE1 TRP A 19 31.665 21.583 -4.268 1.00 0.00 H ATOM 301 HD1 TRP A 19 33.416 21.267 -2.369 1.00 0.00 H ATOM 302 HZ2 TRP A 19 30.420 23.765 -5.560 1.00 0.00 H ATOM 303 HH2 TRP A 19 30.348 26.233 -5.538 1.00 0.00 H ATOM 304 HZ3 TRP A 19 31.755 27.537 -3.972 1.00 0.00 H ATOM 305 HE3 TRP A 19 33.259 26.393 -2.362 1.00 0.00 H ATOM 306 H TRP A 19 33.025 21.774 -0.251 1.00 0.00 H ATOM 307 N ALA A 20 31.470 24.693 -0.130 1.00 56.49 N ATOM 308 CA ALA A 20 30.444 25.735 -0.147 1.00 55.83 C ATOM 309 C ALA A 20 30.383 26.462 1.190 1.00 56.36 C ATOM 310 O ALA A 20 30.154 27.668 1.242 1.00 59.23 O ATOM 311 CB ALA A 20 29.087 25.130 -0.478 1.00 52.25 C ATOM 312 HA ALA A 20 30.708 26.460 -0.917 1.00 0.00 H ATOM 313 HB1 ALA A 20 29.131 24.656 -1.458 1.00 0.00 H ATOM 314 HB2 ALA A 20 28.829 24.386 0.276 1.00 0.00 H ATOM 315 HB3 ALA A 20 28.332 25.917 -0.487 1.00 0.00 H ATOM 316 H ALA A 20 31.212 23.724 -0.407 1.00 0.00 H ATOM 317 N ASP A 21 30.594 25.716 2.269 1.00 57.19 N ATOM 318 CA ASP A 21 30.580 26.264 3.625 1.00 56.59 C ATOM 319 C ASP A 21 31.480 27.490 3.784 1.00 53.54 C ATOM 320 O ASP A 21 31.281 28.300 4.686 1.00 54.53 O ATOM 321 CB ASP A 21 31.036 25.190 4.619 1.00 59.27 C ATOM 322 CG ASP A 21 30.013 24.086 4.802 1.00 63.81 C ATOM 323 OD1 ASP A 21 29.319 23.745 3.821 1.00 64.73 O ATOM 324 OD2 ASP A 21 29.914 23.551 5.927 1.00 66.68 O ATOM 325 HA ASP A 21 29.555 26.577 3.825 1.00 0.00 H ATOM 326 HB2 ASP A 21 31.963 24.749 4.254 1.00 0.00 H ATOM 327 HB3 ASP A 21 31.215 25.663 5.585 1.00 0.00 H ATOM 328 H ASP A 21 30.777 24.700 2.144 1.00 0.00 H ATOM 329 N PHE A 22 32.464 27.622 2.901 1.00 49.96 N ATOM 330 CA PHE A 22 33.414 28.725 2.972 1.00 45.28 C ATOM 331 C PHE A 22 33.268 29.775 1.881 1.00 40.55 C ATOM 332 O PHE A 22 34.017 30.750 1.859 1.00 38.93 O ATOM 333 CB PHE A 22 34.838 28.171 2.927 1.00 46.01 C ATOM 334 CG PHE A 22 35.158 27.229 4.045 1.00 43.38 C ATOM 335 CD1 PHE A 22 35.489 27.711 5.307 1.00 43.50 C ATOM 336 CD2 PHE A 22 35.119 25.856 3.836 1.00 42.03 C ATOM 337 CE1 PHE A 22 35.781 26.837 6.351 1.00 42.67 C ATOM 338 CE2 PHE A 22 35.407 24.972 4.869 1.00 41.84 C ATOM 339 CZ PHE A 22 35.740 25.464 6.132 1.00 40.92 C ATOM 340 HA PHE A 22 33.197 29.232 3.912 1.00 0.00 H ATOM 341 HB2 PHE A 22 34.971 27.642 1.983 1.00 0.00 H ATOM 342 HB3 PHE A 22 35.534 29.009 2.974 1.00 0.00 H ATOM 343 HD2 PHE A 22 34.860 25.468 2.851 1.00 0.00 H ATOM 344 HE2 PHE A 22 35.373 23.897 4.693 1.00 0.00 H ATOM 345 HZ PHE A 22 35.967 24.774 6.945 1.00 0.00 H ATOM 346 HE1 PHE A 22 36.040 27.227 7.335 1.00 0.00 H ATOM 347 HD1 PHE A 22 35.520 28.787 5.481 1.00 0.00 H ATOM 348 H PHE A 22 32.559 26.920 2.139 1.00 0.00 H ATOM 349 N ALA A 23 32.316 29.577 0.978 1.00 38.58 N ATOM 350 CA ALA A 23 32.112 30.524 -0.109 1.00 37.34 C ATOM 351 C ALA A 23 31.315 31.763 0.293 1.00 38.05 C ATOM 352 O ALA A 23 31.249 32.722 -0.469 1.00 41.42 O ATOM 353 CB ALA A 23 31.440 29.830 -1.291 1.00 34.45 C ATOM 354 HA ALA A 23 33.103 30.878 -0.393 1.00 0.00 H ATOM 355 HB1 ALA A 23 32.074 29.015 -1.640 1.00 0.00 H ATOM 356 HB2 ALA A 23 30.475 29.432 -0.977 1.00 0.00 H ATOM 357 HB3 ALA A 23 31.293 30.549 -2.097 1.00 0.00 H ATOM 358 H ALA A 23 31.709 28.736 1.048 1.00 0.00 H ATOM 359 N ASP A 24 30.700 31.750 1.473 1.00 35.93 N ATOM 360 CA ASP A 24 29.927 32.912 1.940 1.00 36.02 C ATOM 361 C ASP A 24 29.956 32.900 3.454 1.00 33.58 C ATOM 362 O ASP A 24 29.003 32.463 4.097 1.00 32.38 O ATOM 363 CB ASP A 24 28.480 32.820 1.437 1.00 43.46 C ATOM 364 CG ASP A 24 27.636 34.059 1.752 1.00 51.59 C ATOM 365 OD1 ASP A 24 27.981 34.829 2.672 1.00 56.49 O ATOM 366 OD2 ASP A 24 26.596 34.247 1.071 1.00 54.99 O ATOM 367 HA ASP A 24 30.357 33.837 1.557 1.00 0.00 H ATOM 368 HB2 ASP A 24 28.500 32.683 0.356 1.00 0.00 H ATOM 369 HB3 ASP A 24 28.008 31.955 1.903 1.00 0.00 H ATOM 370 H ASP A 24 30.767 30.905 2.075 1.00 0.00 H ATOM 371 N TYR A 25 31.059 33.393 4.010 1.00 30.35 N ATOM 372 CA TYR A 25 31.242 33.422 5.444 1.00 26.14 C ATOM 373 C TYR A 25 31.922 34.702 5.924 1.00 23.96 C ATOM 374 O TYR A 25 32.779 35.269 5.245 1.00 21.57 O ATOM 375 CB TYR A 25 32.043 32.191 5.849 1.00 30.70 C ATOM 376 CG TYR A 25 32.227 32.012 7.332 1.00 35.28 C ATOM 377 CD1 TYR A 25 33.115 32.818 8.048 1.00 32.85 C ATOM 378 CD2 TYR A 25 31.545 31.004 8.018 1.00 34.19 C ATOM 379 CE1 TYR A 25 33.324 32.618 9.400 1.00 30.42 C ATOM 380 CE2 TYR A 25 31.751 30.797 9.372 1.00 28.05 C ATOM 381 CZ TYR A 25 32.641 31.601 10.051 1.00 28.73 C ATOM 382 OH TYR A 25 32.883 31.360 11.374 1.00 34.08 O ATOM 383 HA TYR A 25 30.262 33.410 5.921 1.00 0.00 H ATOM 384 HB3 TYR A 25 33.030 32.264 5.392 1.00 0.00 H ATOM 385 HB2 TYR A 25 31.529 31.311 5.463 1.00 0.00 H ATOM 386 HD2 TYR A 25 30.840 30.371 7.479 1.00 0.00 H ATOM 387 HE2 TYR A 25 31.214 30.006 9.896 1.00 0.00 H ATOM 388 HE1 TYR A 25 34.019 33.253 9.949 1.00 0.00 H ATOM 389 HD1 TYR A 25 33.651 33.616 7.534 1.00 0.00 H ATOM 390 HH TYR A 25 33.540 32.018 11.713 1.00 0.00 H ATOM 391 H TYR A 25 31.810 33.768 3.397 1.00 0.00 H ATOM 392 N GLY A 26 31.527 35.155 7.108 1.00 22.16 N ATOM 393 CA GLY A 26 32.091 36.372 7.661 1.00 27.10 C ATOM 394 C GLY A 26 32.076 37.510 6.659 1.00 24.77 C ATOM 395 O GLY A 26 31.214 37.565 5.782 1.00 23.20 O ATOM 396 HA3 GLY A 26 33.121 36.179 7.960 1.00 0.00 H ATOM 397 HA2 GLY A 26 31.509 36.664 8.535 1.00 0.00 H ATOM 398 H GLY A 26 30.806 34.632 7.645 1.00 0.00 H ATOM 399 N CYS A 27 33.036 38.421 6.782 1.00 27.62 N ATOM 400 CA CYS A 27 33.113 39.520 5.836 1.00 29.66 C ATOM 401 C CYS A 27 34.084 39.239 4.655 1.00 28.74 C ATOM 402 O CYS A 27 33.923 39.845 3.602 1.00 26.76 O ATOM 403 CB CYS A 27 33.527 40.802 6.576 1.00 32.17 C ATOM 404 SG CYS A 27 32.127 41.806 7.178 1.00 38.88 S ATOM 405 HA CYS A 27 32.123 39.642 5.397 1.00 0.00 H ATOM 406 HB2 CYS A 27 34.119 41.414 5.895 1.00 0.00 H ATOM 407 HB3 CYS A 27 34.139 40.520 7.433 1.00 0.00 H ATOM 408 H CYS A 27 33.730 38.347 7.553 1.00 0.00 H ATOM 409 N TYR A 28 35.104 38.319 4.819 1.00 32.80 N ATOM 410 CA TYR A 28 36.179 37.965 3.836 1.00 31.07 C ATOM 411 C TYR A 28 36.144 36.599 3.185 1.00 32.44 C ATOM 412 O TYR A 28 36.963 36.309 2.307 1.00 32.74 O ATOM 413 CB TYR A 28 37.557 38.075 4.539 1.00 27.35 C ATOM 414 CG TYR A 28 37.846 39.516 4.864 1.00 25.64 C ATOM 415 CD1 TYR A 28 37.308 40.119 5.999 1.00 27.05 C ATOM 416 CD2 TYR A 28 38.615 40.298 4.006 1.00 27.88 C ATOM 417 CE1 TYR A 28 37.531 41.469 6.271 1.00 24.15 C ATOM 418 CE2 TYR A 28 38.843 41.645 4.266 1.00 24.14 C ATOM 419 CZ TYR A 28 38.303 42.223 5.401 1.00 22.76 C ATOM 420 OH TYR A 28 38.537 43.543 5.680 1.00 17.04 O ATOM 421 HA TYR A 28 36.002 38.674 3.027 1.00 0.00 H ATOM 422 HB3 TYR A 28 38.333 37.689 3.878 1.00 0.00 H ATOM 423 HB2 TYR A 28 37.542 37.491 5.459 1.00 0.00 H ATOM 424 HD2 TYR A 28 39.047 39.846 3.113 1.00 0.00 H ATOM 425 HE2 TYR A 28 39.444 42.242 3.580 1.00 0.00 H ATOM 426 HE1 TYR A 28 37.101 41.928 7.161 1.00 0.00 H ATOM 427 HD1 TYR A 28 36.703 39.526 6.685 1.00 0.00 H ATOM 428 HH TYR A 28 38.078 43.787 6.523 1.00 0.00 H ATOM 429 H TYR A 28 35.128 37.815 5.729 1.00 0.00 H ATOM 430 N CYS A 29 35.231 35.777 3.579 1.00 29.47 N ATOM 431 CA CYS A 29 35.162 34.510 2.920 1.00 29.96 C ATOM 432 C CYS A 29 34.115 34.582 1.834 1.00 32.63 C ATOM 433 O CYS A 29 32.923 34.606 2.124 1.00 31.77 O ATOM 434 CB CYS A 29 34.870 33.382 3.905 1.00 24.99 C ATOM 435 SG CYS A 29 36.186 33.088 5.135 1.00 23.81 S ATOM 436 HA CYS A 29 36.130 34.285 2.472 1.00 0.00 H ATOM 437 HB2 CYS A 29 34.724 32.463 3.337 1.00 0.00 H ATOM 438 HB3 CYS A 29 33.952 33.627 4.440 1.00 0.00 H ATOM 439 H CYS A 29 34.572 36.026 4.344 1.00 0.00 H ATOM 440 N GLY A 30 34.550 34.631 0.581 1.00 36.01 N ATOM 441 CA GLY A 30 33.627 34.639 -0.532 1.00 42.73 C ATOM 442 C GLY A 30 33.334 36.013 -1.077 1.00 50.35 C ATOM 443 O GLY A 30 33.969 36.487 -2.018 1.00 49.32 O ATOM 444 HA3 GLY A 30 32.688 34.194 -0.202 1.00 0.00 H ATOM 445 HA2 GLY A 30 34.052 34.035 -1.334 1.00 0.00 H ATOM 446 H GLY A 30 35.573 34.664 0.396 1.00 0.00 H ATOM 447 N LYS A 31 32.343 36.651 -0.483 1.00 59.48 N ATOM 448 CA LYS A 31 31.954 37.976 -0.877 1.00 66.07 C ATOM 449 C LYS A 31 33.080 38.946 -0.554 1.00 65.47 C ATOM 450 O LYS A 31 33.632 38.909 0.543 1.00 64.33 O ATOM 451 CB LYS A 31 30.652 38.366 -0.204 1.00 73.14 C ATOM 452 CG LYS A 31 29.910 39.514 -0.860 1.00 80.61 C ATOM 453 CD LYS A 31 29.183 39.078 -2.111 1.00 83.84 C ATOM 454 CE LYS A 31 29.530 39.958 -3.295 1.00 85.55 C ATOM 455 NZ LYS A 31 28.499 39.879 -4.370 1.00 85.64 N ATOM 456 HA LYS A 31 31.777 38.008 -1.952 1.00 0.00 H ATOM 457 HB2 LYS A 31 29.997 37.495 -0.205 1.00 0.00 H ATOM 458 HB3 LYS A 31 30.875 38.651 0.824 1.00 0.00 H ATOM 459 HG2 LYS A 31 29.184 39.914 -0.152 1.00 0.00 H ATOM 460 HG3 LYS A 31 30.627 40.292 -1.122 1.00 0.00 H ATOM 461 HD2 LYS A 31 29.461 38.049 -2.341 1.00 0.00 H ATOM 462 HD3 LYS A 31 28.109 39.132 -1.933 1.00 0.00 H ATOM 463 HE2 LYS A 31 30.489 39.638 -3.702 1.00 0.00 H ATOM 464 HE3 LYS A 31 29.607 40.991 -2.956 1.00 0.00 H ATOM 465 HZ1 LYS A 31 28.424 38.897 -4.705 1.00 0.00 H ATOM 466 HZ2 LYS A 31 27.581 40.189 -3.992 1.00 0.00 H ATOM 467 HZ3 LYS A 31 28.776 40.496 -5.160 1.00 0.00 H ATOM 468 H LYS A 31 31.830 36.182 0.291 1.00 0.00 H ATOM 469 N GLY A 32 33.414 39.831 -1.493 1.00 66.69 N ATOM 470 CA GLY A 32 34.470 40.817 -1.292 1.00 67.49 C ATOM 471 C GLY A 32 35.020 40.921 0.116 1.00 66.96 C ATOM 472 O GLY A 32 35.854 40.106 0.522 1.00 69.57 O ATOM 473 HA3 GLY A 32 34.072 41.794 -1.568 1.00 0.00 H ATOM 474 HA2 GLY A 32 35.296 40.562 -1.955 1.00 0.00 H ATOM 475 H GLY A 32 32.905 39.818 -2.400 1.00 0.00 H ATOM 476 N GLY A 33 34.557 41.920 0.864 1.00 65.22 N ATOM 477 CA GLY A 33 35.019 42.042 2.232 1.00 62.35 C ATOM 478 C GLY A 33 34.884 43.450 2.851 1.00 60.89 C ATOM 479 O GLY A 33 33.797 44.033 2.853 1.00 61.32 O ATOM 480 HA3 GLY A 33 36.072 41.762 2.258 1.00 0.00 H ATOM 481 HA2 GLY A 33 34.444 41.348 2.845 1.00 0.00 H ATOM 482 H GLY A 33 33.875 42.601 0.473 1.00 0.00 H ATOM 483 N SER A 34 36.010 43.945 3.393 1.00 55.78 N ATOM 484 CA SER A 34 36.124 45.285 4.004 1.00 51.50 C ATOM 485 C SER A 34 35.488 45.431 5.390 1.00 47.33 C ATOM 486 O SER A 34 34.266 45.407 5.533 1.00 52.35 O ATOM 487 CB SER A 34 35.523 46.317 3.053 1.00 54.49 C ATOM 488 OG SER A 34 34.113 46.377 3.184 1.00 61.46 O ATOM 489 HA SER A 34 37.190 45.448 4.163 1.00 0.00 H ATOM 490 HB2 SER A 34 35.774 46.044 2.028 1.00 0.00 H ATOM 491 HB3 SER A 34 35.943 47.297 3.280 1.00 0.00 H ATOM 492 HG SER A 34 33.753 47.053 2.557 1.00 0.00 H ATOM 493 H SER A 34 36.859 43.344 3.381 1.00 0.00 H ATOM 494 N GLY A 35 36.344 45.578 6.408 1.00 41.80 N ATOM 495 CA GLY A 35 35.875 45.660 7.767 1.00 35.03 C ATOM 496 C GLY A 35 36.683 44.670 8.588 1.00 33.72 C ATOM 497 O GLY A 35 37.506 43.942 8.033 1.00 32.94 O ATOM 498 HA3 GLY A 35 34.816 45.405 7.812 1.00 0.00 H ATOM 499 HA2 GLY A 35 36.021 46.670 8.151 1.00 0.00 H ATOM 500 H GLY A 35 37.364 45.634 6.215 1.00 0.00 H ATOM 501 N THR A 36 36.463 44.632 9.899 1.00 32.17 N ATOM 502 CA THR A 36 37.188 43.708 10.772 1.00 31.46 C ATOM 503 C THR A 36 36.663 42.280 10.625 1.00 30.87 C ATOM 504 O THR A 36 35.457 42.046 10.661 1.00 28.70 O ATOM 505 CB THR A 36 37.072 44.147 12.246 1.00 27.97 C ATOM 506 OG1 THR A 36 37.722 45.411 12.407 1.00 32.52 O ATOM 507 CG2 THR A 36 37.718 43.131 13.173 1.00 25.12 C ATOM 508 HA THR A 36 38.235 43.729 10.471 1.00 0.00 H ATOM 509 HB THR A 36 36.016 44.224 12.504 1.00 0.00 H ATOM 510 HG1 THR A 36 37.651 45.699 13.352 1.00 0.00 H ATOM 511 HG23 THR A 36 37.225 42.166 13.053 1.00 0.00 H ATOM 512 HG21 THR A 36 38.775 43.034 12.924 1.00 0.00 H ATOM 513 HG22 THR A 36 37.616 43.466 14.205 1.00 0.00 H ATOM 514 H THR A 36 35.758 45.275 10.314 1.00 0.00 H ATOM 515 N PRO A 37 37.568 41.303 10.450 1.00 34.52 N ATOM 516 CA PRO A 37 37.161 39.898 10.298 1.00 35.76 C ATOM 517 C PRO A 37 36.359 39.459 11.512 1.00 36.45 C ATOM 518 O PRO A 37 36.819 39.606 12.646 1.00 39.20 O ATOM 519 CB PRO A 37 38.494 39.159 10.194 1.00 34.21 C ATOM 520 CG PRO A 37 39.412 40.193 9.590 1.00 33.32 C ATOM 521 CD PRO A 37 39.032 41.439 10.361 1.00 31.72 C ATOM 522 HA PRO A 37 36.519 39.709 9.437 1.00 0.00 H ATOM 523 HD3 PRO A 37 39.491 41.450 11.350 1.00 0.00 H ATOM 524 HD2 PRO A 37 39.315 42.342 9.821 1.00 0.00 H ATOM 525 HG3 PRO A 37 39.225 40.314 8.523 1.00 0.00 H ATOM 526 HG2 PRO A 37 40.459 39.934 9.747 1.00 0.00 H ATOM 527 HB2 PRO A 37 38.847 38.848 11.177 1.00 0.00 H ATOM 528 HB3 PRO A 37 38.408 38.286 9.547 1.00 0.00 H ATOM 529 N VAL A 38 35.162 38.929 11.280 1.00 35.73 N ATOM 530 CA VAL A 38 34.310 38.486 12.382 1.00 33.09 C ATOM 531 C VAL A 38 35.006 37.465 13.288 1.00 31.59 C ATOM 532 O VAL A 38 34.782 37.451 14.484 1.00 31.48 O ATOM 533 CB VAL A 38 32.984 37.900 11.858 1.00 30.94 C ATOM 534 CG1 VAL A 38 32.131 39.001 11.249 1.00 32.02 C ATOM 535 CG2 VAL A 38 33.258 36.788 10.855 1.00 27.75 C ATOM 536 HA VAL A 38 34.099 39.372 12.981 1.00 0.00 H ATOM 537 HB VAL A 38 32.430 37.467 12.691 1.00 0.00 H ATOM 538 HG11 VAL A 38 31.915 39.753 12.008 1.00 0.00 H ATOM 539 HG12 VAL A 38 32.671 39.462 10.422 1.00 0.00 H ATOM 540 HG13 VAL A 38 31.197 38.575 10.882 1.00 0.00 H ATOM 541 HG21 VAL A 38 33.827 37.189 10.016 1.00 0.00 H ATOM 542 HG22 VAL A 38 33.831 35.997 11.339 1.00 0.00 H ATOM 543 HG23 VAL A 38 32.312 36.385 10.494 1.00 0.00 H ATOM 544 H VAL A 38 34.827 38.828 10.301 1.00 0.00 H ATOM 545 N ASP A 39 35.872 36.636 12.688 1.00 29.20 N ATOM 546 CA ASP A 39 36.599 35.640 13.432 1.00 30.99 C ATOM 547 C ASP A 39 37.719 34.987 12.616 1.00 30.17 C ATOM 548 O ASP A 39 37.913 35.233 11.431 1.00 28.38 O ATOM 549 CB ASP A 39 35.651 34.561 13.959 1.00 30.57 C ATOM 550 CG ASP A 39 35.139 33.706 12.850 1.00 28.87 C ATOM 551 OD1 ASP A 39 35.835 33.615 11.828 1.00 28.94 O ATOM 552 OD2 ASP A 39 34.051 33.124 12.992 1.00 29.99 O ATOM 553 HA ASP A 39 37.065 36.162 14.268 1.00 0.00 H ATOM 554 HB2 ASP A 39 36.186 33.935 14.673 1.00 0.00 H ATOM 555 HB3 ASP A 39 34.808 35.040 14.457 1.00 0.00 H ATOM 556 H ASP A 39 36.022 36.714 11.662 1.00 0.00 H ATOM 557 N ASP A 40 38.449 34.162 13.368 1.00 29.96 N ATOM 558 CA ASP A 40 39.620 33.456 12.881 1.00 34.00 C ATOM 559 C ASP A 40 39.423 32.913 11.493 1.00 30.17 C ATOM 560 O ASP A 40 40.284 33.092 10.624 1.00 26.77 O ATOM 561 CB ASP A 40 40.037 32.359 13.879 1.00 41.08 C ATOM 562 CG ASP A 40 40.183 32.870 15.313 1.00 48.70 C ATOM 563 OD1 ASP A 40 41.020 33.767 15.557 1.00 50.41 O ATOM 564 OD2 ASP A 40 39.460 32.354 16.193 1.00 56.33 O ATOM 565 HA ASP A 40 40.437 34.174 12.807 1.00 0.00 H ATOM 566 HB2 ASP A 40 39.281 31.574 13.866 1.00 0.00 H ATOM 567 HB3 ASP A 40 40.994 31.946 13.560 1.00 0.00 H ATOM 568 H ASP A 40 38.164 34.017 14.357 1.00 0.00 H ATOM 569 N LEU A 41 38.293 32.259 11.248 1.00 25.19 N ATOM 570 CA LEU A 41 38.038 31.735 9.919 1.00 23.65 C ATOM 571 C LEU A 41 37.870 32.903 8.943 1.00 21.73 C ATOM 572 O LEU A 41 38.177 32.782 7.762 1.00 21.95 O ATOM 573 CB LEU A 41 36.791 30.844 9.915 1.00 24.06 C ATOM 574 CG LEU A 41 36.416 30.269 8.541 1.00 23.37 C ATOM 575 CD1 LEU A 41 37.597 29.515 7.940 1.00 21.25 C ATOM 576 CD2 LEU A 41 35.224 29.363 8.679 1.00 18.00 C ATOM 577 HA LEU A 41 38.883 31.122 9.607 1.00 0.00 H ATOM 578 HB2 LEU A 41 36.967 30.011 10.595 1.00 0.00 H ATOM 579 HB3 LEU A 41 35.950 31.435 10.277 1.00 0.00 H ATOM 580 HG LEU A 41 36.160 31.089 7.870 1.00 0.00 H ATOM 581 HD21 LEU A 41 35.467 28.546 9.359 1.00 0.00 H ATOM 582 HD22 LEU A 41 34.382 29.930 9.076 1.00 0.00 H ATOM 583 HD23 LEU A 41 34.962 28.958 7.702 1.00 0.00 H ATOM 584 HD11 LEU A 41 38.440 30.196 7.822 1.00 0.00 H ATOM 585 HD12 LEU A 41 37.879 28.697 8.603 1.00 0.00 H ATOM 586 HD13 LEU A 41 37.313 29.114 6.967 1.00 0.00 H ATOM 587 H LEU A 41 37.594 32.123 12.006 1.00 0.00 H ATOM 588 N ASP A 42 37.383 34.036 9.433 1.00 21.80 N ATOM 589 CA ASP A 42 37.225 35.205 8.572 1.00 21.53 C ATOM 590 C ASP A 42 38.626 35.821 8.383 1.00 20.73 C ATOM 591 O ASP A 42 38.945 36.379 7.330 1.00 15.71 O ATOM 592 CB ASP A 42 36.252 36.208 9.214 1.00 23.17 C ATOM 593 CG ASP A 42 35.538 37.086 8.184 1.00 28.06 C ATOM 594 OD1 ASP A 42 35.513 36.717 6.987 1.00 23.16 O ATOM 595 OD2 ASP A 42 34.986 38.142 8.577 1.00 29.19 O ATOM 596 HA ASP A 42 36.805 34.930 7.604 1.00 0.00 H ATOM 597 HB2 ASP A 42 35.502 35.653 9.778 1.00 0.00 H ATOM 598 HB3 ASP A 42 36.812 36.852 9.892 1.00 0.00 H ATOM 599 H ASP A 42 37.112 34.092 10.436 1.00 0.00 H ATOM 600 N ARG A 43 39.470 35.689 9.403 1.00 21.18 N ATOM 601 CA ARG A 43 40.826 36.212 9.329 1.00 22.36 C ATOM 602 C ARG A 43 41.628 35.429 8.312 1.00 22.64 C ATOM 603 O ARG A 43 42.456 36.004 7.604 1.00 20.14 O ATOM 604 CB ARG A 43 41.514 36.149 10.694 1.00 29.05 C ATOM 605 CG ARG A 43 41.032 37.215 11.661 1.00 35.79 C ATOM 606 CD ARG A 43 41.764 37.176 12.999 1.00 39.94 C ATOM 607 NE ARG A 43 41.256 38.212 13.896 1.00 43.13 N ATOM 608 CZ ARG A 43 41.402 39.517 13.686 1.00 41.30 C ATOM 609 NH1 ARG A 43 42.050 39.947 12.613 1.00 40.65 N ATOM 610 NH2 ARG A 43 40.883 40.395 14.536 1.00 42.62 N ATOM 611 HA ARG A 43 40.772 37.256 9.021 1.00 0.00 H ATOM 612 HB2 ARG A 43 41.321 35.170 11.134 1.00 0.00 H ATOM 613 HB3 ARG A 43 42.587 36.275 10.547 1.00 0.00 H ATOM 614 HG2 ARG A 43 41.188 38.194 11.207 1.00 0.00 H ATOM 615 HG3 ARG A 43 39.968 37.066 11.842 1.00 0.00 H ATOM 616 HD2 ARG A 43 42.828 37.339 12.830 1.00 0.00 H ATOM 617 HD3 ARG A 43 41.616 36.199 13.460 1.00 0.00 H ATOM 618 HE ARG A 43 40.749 37.910 14.752 1.00 0.00 H ATOM 619 HH12 ARG A 43 42.164 40.968 12.449 1.00 0.00 H ATOM 620 HH11 ARG A 43 42.444 39.264 11.935 1.00 0.00 H ATOM 621 HH22 ARG A 43 41.000 41.414 14.367 1.00 0.00 H ATOM 622 HH21 ARG A 43 40.359 40.063 15.371 1.00 0.00 H ATOM 623 H ARG A 43 39.155 35.204 10.268 1.00 0.00 H ATOM 624 N CYS A 44 41.390 34.119 8.241 1.00 24.18 N ATOM 625 CA CYS A 44 42.088 33.274 7.269 1.00 24.17 C ATOM 626 C CYS A 44 41.776 33.810 5.882 1.00 24.59 C ATOM 627 O CYS A 44 42.660 33.968 5.040 1.00 26.17 O ATOM 628 CB CYS A 44 41.600 31.825 7.330 1.00 27.25 C ATOM 629 SG CYS A 44 42.197 30.774 8.691 1.00 29.94 S ATOM 630 HA CYS A 44 43.155 33.292 7.492 1.00 0.00 H ATOM 631 HB2 CYS A 44 41.895 31.345 6.397 1.00 0.00 H ATOM 632 HB3 CYS A 44 40.512 31.852 7.395 1.00 0.00 H ATOM 633 H CYS A 44 40.697 33.690 8.887 1.00 0.00 H ATOM 634 N CYS A 45 40.500 34.081 5.645 1.00 25.35 N ATOM 635 CA CYS A 45 40.093 34.601 4.358 1.00 25.31 C ATOM 636 C CYS A 45 40.649 35.992 4.128 1.00 22.13 C ATOM 637 O CYS A 45 41.157 36.270 3.049 1.00 21.89 O ATOM 638 CB CYS A 45 38.573 34.609 4.242 1.00 24.03 C ATOM 639 SG CYS A 45 37.895 32.924 4.309 1.00 27.55 S ATOM 640 HA CYS A 45 40.499 33.945 3.588 1.00 0.00 H ATOM 641 HB2 CYS A 45 38.292 35.068 3.294 1.00 0.00 H ATOM 642 HB3 CYS A 45 38.157 35.192 5.064 1.00 0.00 H ATOM 643 H CYS A 45 39.789 33.919 6.387 1.00 0.00 H ATOM 644 N GLN A 46 40.573 36.859 5.138 1.00 21.77 N ATOM 645 CA GLN A 46 41.087 38.217 4.983 1.00 20.97 C ATOM 646 C GLN A 46 42.521 38.174 4.482 1.00 22.44 C ATOM 647 O GLN A 46 42.884 38.878 3.528 1.00 17.29 O ATOM 648 CB GLN A 46 41.053 38.989 6.298 1.00 22.23 C ATOM 649 CG GLN A 46 41.631 40.399 6.143 1.00 26.68 C ATOM 650 CD GLN A 46 41.876 41.099 7.462 1.00 26.10 C ATOM 651 OE1 GLN A 46 42.599 40.592 8.324 1.00 33.81 O ATOM 652 NE2 GLN A 46 41.281 42.272 7.626 1.00 21.24 N ATOM 653 HA GLN A 46 40.446 38.726 4.264 1.00 0.00 H ATOM 654 HB2 GLN A 46 40.020 39.066 6.636 1.00 0.00 H ATOM 655 HB3 GLN A 46 41.638 38.447 7.041 1.00 0.00 H ATOM 656 HG2 GLN A 46 42.578 40.327 5.609 1.00 0.00 H ATOM 657 HG3 GLN A 46 40.931 40.997 5.559 1.00 0.00 H ATOM 658 HE22 GLN A 46 40.680 42.660 6.871 1.00 0.00 H ATOM 659 HE21 GLN A 46 41.415 42.804 8.509 1.00 0.00 H ATOM 660 H GLN A 46 40.146 36.567 6.040 1.00 0.00 H ATOM 661 N THR A 47 43.335 37.341 5.126 1.00 22.88 N ATOM 662 CA THR A 47 44.727 37.204 4.730 1.00 23.35 C ATOM 663 C THR A 47 44.787 36.667 3.322 1.00 18.84 C ATOM 664 O THR A 47 45.708 36.974 2.561 1.00 20.79 O ATOM 665 CB THR A 47 45.506 36.281 5.695 1.00 28.59 C ATOM 666 OG1 THR A 47 45.470 36.840 7.017 1.00 32.91 O ATOM 667 CG2 THR A 47 46.941 36.113 5.223 1.00 23.64 C ATOM 668 HA THR A 47 45.200 38.185 4.772 1.00 0.00 H ATOM 669 HB THR A 47 45.039 35.296 5.711 1.00 0.00 H ATOM 670 HG1 THR A 47 44.529 36.916 7.316 1.00 0.00 H ATOM 671 HG23 THR A 47 46.945 35.688 4.219 1.00 0.00 H ATOM 672 HG21 THR A 47 47.434 37.085 5.209 1.00 0.00 H ATOM 673 HG22 THR A 47 47.470 35.446 5.903 1.00 0.00 H ATOM 674 H THR A 47 42.971 36.781 5.923 1.00 0.00 H ATOM 675 N HIS A 48 43.798 35.886 2.997 1.00 16.09 N ATOM 676 CA HIS A 48 43.767 35.310 1.720 1.00 14.32 C ATOM 677 C HIS A 48 43.412 36.313 0.618 1.00 11.58 C ATOM 678 O HIS A 48 43.910 36.222 -0.508 1.00 14.59 O ATOM 679 CB HIS A 48 42.828 34.131 1.750 1.00 11.34 C ATOM 680 CG HIS A 48 42.675 33.574 0.350 1.00 11.45 C ATOM 681 ND1 HIS A 48 41.526 33.690 -0.363 1.00 17.09 N ATOM 682 CD2 HIS A 48 43.586 32.908 -0.421 1.00 14.97 C ATOM 683 CE1 HIS A 48 41.728 33.116 -1.540 1.00 17.65 C ATOM 684 NE2 HIS A 48 42.967 32.642 -1.598 1.00 18.28 N ATOM 685 HA HIS A 48 44.770 34.968 1.465 1.00 0.00 H ATOM 686 HB2 HIS A 48 43.232 33.360 2.406 1.00 0.00 H ATOM 687 HB3 HIS A 48 41.855 34.450 2.123 1.00 0.00 H ATOM 688 HD2 HIS A 48 44.607 32.643 -0.145 1.00 0.00 H ATOM 689 HE1 HIS A 48 40.990 33.044 -2.339 1.00 0.00 H ATOM 690 H HIS A 48 43.037 35.691 3.679 1.00 0.00 H ATOM 691 N ASP A 49 42.569 37.266 0.965 1.00 13.03 N ATOM 692 CA ASP A 49 42.192 38.334 0.045 1.00 16.99 C ATOM 693 C ASP A 49 43.379 39.261 -0.190 1.00 19.34 C ATOM 694 O ASP A 49 43.614 39.730 -1.312 1.00 13.56 O ATOM 695 CB ASP A 49 41.019 39.135 0.604 1.00 21.29 C ATOM 696 CG ASP A 49 39.727 38.337 0.627 1.00 27.63 C ATOM 697 OD1 ASP A 49 39.706 37.199 0.107 1.00 27.44 O ATOM 698 OD2 ASP A 49 38.728 38.853 1.167 1.00 33.61 O ATOM 699 HA ASP A 49 41.890 37.884 -0.901 1.00 0.00 H ATOM 700 HB2 ASP A 49 41.259 39.442 1.622 1.00 0.00 H ATOM 701 HB3 ASP A 49 40.873 40.020 -0.016 1.00 0.00 H ATOM 702 H ASP A 49 42.161 37.256 1.922 1.00 0.00 H ATOM 703 N ASN A 50 44.131 39.520 0.876 1.00 21.73 N ATOM 704 CA ASN A 50 45.301 40.378 0.774 1.00 19.40 C ATOM 705 C ASN A 50 46.331 39.752 -0.134 1.00 19.14 C ATOM 706 O ASN A 50 46.921 40.426 -0.982 1.00 22.68 O ATOM 707 CB ASN A 50 45.916 40.623 2.149 1.00 18.46 C ATOM 708 CG ASN A 50 45.098 41.586 2.978 1.00 20.96 C ATOM 709 OD1 ASN A 50 44.396 42.434 2.433 1.00 19.45 O ATOM 710 ND2 ASN A 50 45.197 41.446 4.296 1.00 19.00 N ATOM 711 HA ASN A 50 44.983 41.333 0.356 1.00 0.00 H ATOM 712 HB2 ASN A 50 45.982 39.673 2.678 1.00 0.00 H ATOM 713 HB3 ASN A 50 46.917 41.035 2.018 1.00 0.00 H ATOM 714 HD22 ASN A 50 45.810 40.707 4.696 1.00 0.00 H ATOM 715 HD21 ASN A 50 44.662 42.075 4.927 1.00 0.00 H ATOM 716 H ASN A 50 43.879 39.103 1.795 1.00 0.00 H ATOM 717 N CYS A 51 46.539 38.455 0.046 1.00 12.84 N ATOM 718 CA CYS A 51 47.511 37.722 -0.749 1.00 17.79 C ATOM 719 C CYS A 51 47.229 37.914 -2.240 1.00 18.72 C ATOM 720 O CYS A 51 48.137 38.159 -3.038 1.00 20.42 O ATOM 721 CB CYS A 51 47.436 36.247 -0.374 1.00 21.36 C ATOM 722 SG CYS A 51 48.888 35.250 -0.816 1.00 26.68 S ATOM 723 HA CYS A 51 48.514 38.098 -0.547 1.00 0.00 H ATOM 724 HB2 CYS A 51 46.569 35.817 -0.875 1.00 0.00 H ATOM 725 HB3 CYS A 51 47.300 36.182 0.706 1.00 0.00 H ATOM 726 H CYS A 51 45.994 37.950 0.773 1.00 0.00 H ATOM 727 N TYR A 52 45.957 37.810 -2.605 1.00 19.77 N ATOM 728 CA TYR A 52 45.534 37.982 -3.985 1.00 19.58 C ATOM 729 C TYR A 52 45.837 39.387 -4.498 1.00 17.92 C ATOM 730 O TYR A 52 46.298 39.557 -5.628 1.00 16.82 O ATOM 731 CB TYR A 52 44.037 37.691 -4.101 1.00 21.65 C ATOM 732 CG TYR A 52 43.705 36.251 -4.431 1.00 22.33 C ATOM 733 CD1 TYR A 52 44.549 35.203 -4.047 1.00 22.31 C ATOM 734 CD2 TYR A 52 42.539 35.934 -5.122 1.00 21.37 C ATOM 735 CE1 TYR A 52 44.236 33.874 -4.349 1.00 20.27 C ATOM 736 CE2 TYR A 52 42.214 34.613 -5.424 1.00 22.64 C ATOM 737 CZ TYR A 52 43.063 33.591 -5.038 1.00 21.26 C ATOM 738 OH TYR A 52 42.725 32.298 -5.342 1.00 16.31 O ATOM 739 HA TYR A 52 46.095 37.280 -4.601 1.00 0.00 H ATOM 740 HB3 TYR A 52 43.626 38.325 -4.887 1.00 0.00 H ATOM 741 HB2 TYR A 52 43.566 37.941 -3.150 1.00 0.00 H ATOM 742 HD2 TYR A 52 41.867 36.734 -5.433 1.00 0.00 H ATOM 743 HE2 TYR A 52 41.294 34.386 -5.963 1.00 0.00 H ATOM 744 HE1 TYR A 52 44.905 33.068 -4.047 1.00 0.00 H ATOM 745 HD1 TYR A 52 45.467 35.427 -3.503 1.00 0.00 H ATOM 746 HH TYR A 52 43.426 31.686 -5.003 1.00 0.00 H ATOM 747 H TYR A 52 45.241 37.599 -1.881 1.00 0.00 H ATOM 748 N ASN A 53 45.578 40.394 -3.668 1.00 19.54 N ATOM 749 CA ASN A 53 45.837 41.777 -4.055 1.00 17.44 C ATOM 750 C ASN A 53 47.315 42.019 -4.339 1.00 18.85 C ATOM 751 O ASN A 53 47.660 42.732 -5.279 1.00 15.62 O ATOM 752 CB ASN A 53 45.345 42.739 -2.973 1.00 20.40 C ATOM 753 CG ASN A 53 43.840 42.938 -3.014 1.00 21.97 C ATOM 754 OD1 ASN A 53 43.257 43.101 -4.085 1.00 25.03 O ATOM 755 ND2 ASN A 53 43.205 42.940 -1.845 1.00 31.12 N ATOM 756 HA ASN A 53 45.286 41.964 -4.977 1.00 0.00 H ATOM 757 HB2 ASN A 53 45.619 42.338 -1.997 1.00 0.00 H ATOM 758 HB3 ASN A 53 45.830 43.705 -3.116 1.00 0.00 H ATOM 759 HD22 ASN A 53 43.738 42.798 -0.963 1.00 0.00 H ATOM 760 HD21 ASN A 53 42.175 43.083 -1.813 1.00 0.00 H ATOM 761 H ASN A 53 45.184 40.192 -2.727 1.00 0.00 H ATOM 762 N GLU A 54 48.192 41.426 -3.534 1.00 22.43 N ATOM 763 CA GLU A 54 49.621 41.588 -3.764 1.00 22.05 C ATOM 764 C GLU A 54 49.953 40.880 -5.070 1.00 24.24 C ATOM 765 O GLU A 54 50.699 41.399 -5.899 1.00 26.97 O ATOM 766 CB GLU A 54 50.445 40.965 -2.633 1.00 22.02 C ATOM 767 CG GLU A 54 50.621 41.814 -1.367 1.00 22.96 C ATOM 768 CD GLU A 54 51.444 43.082 -1.584 1.00 24.91 C ATOM 769 OE1 GLU A 54 52.458 43.036 -2.312 1.00 29.47 O ATOM 770 OE2 GLU A 54 51.083 44.129 -1.009 1.00 24.92 O ATOM 771 HA GLU A 54 49.864 42.650 -3.805 1.00 0.00 H ATOM 772 HB2 GLU A 54 49.959 40.034 -2.343 1.00 0.00 H ATOM 773 HB3 GLU A 54 51.438 40.748 -3.027 1.00 0.00 H ATOM 774 HG2 GLU A 54 49.634 42.102 -1.006 1.00 0.00 H ATOM 775 HG3 GLU A 54 51.119 41.206 -0.612 1.00 0.00 H ATOM 776 H GLU A 54 47.857 40.846 -2.739 1.00 0.00 H ATOM 777 N ALA A 55 49.391 39.692 -5.259 1.00 20.36 N ATOM 778 CA ALA A 55 49.670 38.942 -6.473 1.00 18.65 C ATOM 779 C ALA A 55 49.268 39.743 -7.698 1.00 15.78 C ATOM 780 O ALA A 55 49.935 39.684 -8.733 1.00 12.28 O ATOM 781 CB ALA A 55 48.938 37.608 -6.449 1.00 20.49 C ATOM 782 HA ALA A 55 50.742 38.751 -6.523 1.00 0.00 H ATOM 783 HB1 ALA A 55 49.270 37.028 -5.588 1.00 0.00 H ATOM 784 HB2 ALA A 55 47.865 37.785 -6.378 1.00 0.00 H ATOM 785 HB3 ALA A 55 49.157 37.058 -7.364 1.00 0.00 H ATOM 786 H ALA A 55 48.752 39.298 -4.539 1.00 0.00 H ATOM 787 N GLU A 56 48.179 40.496 -7.573 1.00 15.20 N ATOM 788 CA GLU A 56 47.677 41.315 -8.679 1.00 20.96 C ATOM 789 C GLU A 56 48.721 42.318 -9.152 1.00 17.96 C ATOM 790 O GLU A 56 48.648 42.820 -10.270 1.00 16.04 O ATOM 791 CB GLU A 56 46.408 42.070 -8.257 1.00 25.80 C ATOM 792 CG GLU A 56 45.107 41.260 -8.279 1.00 31.19 C ATOM 793 CD GLU A 56 44.404 41.273 -9.633 1.00 34.75 C ATOM 794 OE1 GLU A 56 44.367 42.337 -10.290 1.00 42.68 O ATOM 795 OE2 GLU A 56 43.864 40.225 -10.038 1.00 39.14 O ATOM 796 HA GLU A 56 47.446 40.639 -9.502 1.00 0.00 H ATOM 797 HB2 GLU A 56 46.558 42.433 -7.240 1.00 0.00 H ATOM 798 HB3 GLU A 56 46.285 42.918 -8.930 1.00 0.00 H ATOM 799 HG2 GLU A 56 45.339 40.227 -8.021 1.00 0.00 H ATOM 800 HG3 GLU A 56 44.429 41.676 -7.534 1.00 0.00 H ATOM 801 H GLU A 56 47.670 40.504 -6.666 1.00 0.00 H ATOM 802 N ASN A 57 49.689 42.613 -8.292 1.00 22.20 N ATOM 803 CA ASN A 57 50.751 43.551 -8.630 1.00 25.45 C ATOM 804 C ASN A 57 51.640 42.967 -9.722 1.00 26.15 C ATOM 805 O ASN A 57 52.288 43.699 -10.464 1.00 28.51 O ATOM 806 CB ASN A 57 51.585 43.879 -7.386 1.00 31.94 C ATOM 807 CG ASN A 57 50.805 44.678 -6.355 1.00 41.31 C ATOM 808 OD1 ASN A 57 49.664 44.347 -6.035 1.00 50.76 O ATOM 809 ND2 ASN A 57 51.422 45.728 -5.820 1.00 44.92 N ATOM 810 HA ASN A 57 50.300 44.472 -9.000 1.00 0.00 H ATOM 811 HB2 ASN A 57 51.914 42.945 -6.929 1.00 0.00 H ATOM 812 HB3 ASN A 57 52.456 44.459 -7.692 1.00 0.00 H ATOM 813 HD22 ASN A 57 52.387 45.972 -6.120 1.00 0.00 H ATOM 814 HD21 ASN A 57 50.939 46.305 -5.102 1.00 0.00 H ATOM 815 H ASN A 57 49.689 42.163 -7.354 1.00 0.00 H ATOM 816 N ILE A 58 51.690 41.644 -9.812 1.00 28.25 N ATOM 817 CA ILE A 58 52.491 41.009 -10.853 1.00 28.53 C ATOM 818 C ILE A 58 51.675 41.166 -12.137 1.00 31.76 C ATOM 819 O ILE A 58 50.536 40.700 -12.217 1.00 33.40 O ATOM 820 CB ILE A 58 52.732 39.512 -10.547 1.00 25.47 C ATOM 821 CG1 ILE A 58 53.619 39.372 -9.306 1.00 22.65 C ATOM 822 CG2 ILE A 58 53.389 38.837 -11.741 1.00 23.33 C ATOM 823 CD1 ILE A 58 53.787 37.938 -8.822 1.00 21.74 C ATOM 824 HA ILE A 58 53.477 41.467 -10.929 1.00 0.00 H ATOM 825 HB ILE A 58 51.775 39.028 -10.354 1.00 0.00 H ATOM 826 HG12 ILE A 58 54.605 39.772 -9.543 1.00 0.00 H ATOM 827 HG13 ILE A 58 53.175 39.956 -8.500 1.00 0.00 H ATOM 828 HD11 ILE A 58 52.811 37.525 -8.568 1.00 0.00 H ATOM 829 HD12 ILE A 58 54.242 37.340 -9.612 1.00 0.00 H ATOM 830 HD13 ILE A 58 54.428 37.926 -7.941 1.00 0.00 H ATOM 831 HG21 ILE A 58 52.738 38.926 -12.611 1.00 0.00 H ATOM 832 HG22 ILE A 58 54.344 39.320 -11.950 1.00 0.00 H ATOM 833 HG23 ILE A 58 53.554 37.783 -11.516 1.00 0.00 H ATOM 834 H ILE A 58 51.157 41.058 -9.138 1.00 0.00 H ATOM 835 N SER A 59 52.247 41.840 -13.129 1.00 32.45 N ATOM 836 CA SER A 59 51.540 42.082 -14.383 1.00 33.93 C ATOM 837 C SER A 59 51.118 40.800 -15.087 1.00 31.15 C ATOM 838 O SER A 59 51.878 39.838 -15.152 1.00 27.98 O ATOM 839 CB SER A 59 52.396 42.940 -15.322 1.00 37.31 C ATOM 840 OG SER A 59 53.623 42.305 -15.614 1.00 48.22 O ATOM 841 HA SER A 59 50.626 42.617 -14.125 1.00 0.00 H ATOM 842 HB2 SER A 59 52.596 43.899 -14.845 1.00 0.00 H ATOM 843 HB3 SER A 59 51.850 43.105 -16.251 1.00 0.00 H ATOM 844 HG SER A 59 53.447 41.435 -16.052 1.00 0.00 H ATOM 845 H SER A 59 53.215 42.201 -13.010 1.00 0.00 H ATOM 846 N GLY A 60 49.891 40.806 -15.608 1.00 30.44 N ATOM 847 CA GLY A 60 49.350 39.649 -16.295 1.00 24.93 C ATOM 848 C GLY A 60 49.008 38.533 -15.328 1.00 27.55 C ATOM 849 O GLY A 60 48.853 37.378 -15.730 1.00 32.22 O ATOM 850 HA3 GLY A 60 50.088 39.284 -17.009 1.00 0.00 H ATOM 851 HA2 GLY A 60 48.446 39.945 -16.828 1.00 0.00 H ATOM 852 H GLY A 60 49.307 41.662 -15.520 1.00 0.00 H ATOM 853 N CYS A 61 48.885 38.877 -14.049 1.00 27.19 N ATOM 854 CA CYS A 61 48.571 37.892 -13.017 1.00 25.30 C ATOM 855 C CYS A 61 47.152 38.085 -12.491 1.00 25.60 C ATOM 856 O CYS A 61 46.842 39.088 -11.852 1.00 28.00 O ATOM 857 CB CYS A 61 49.569 38.012 -11.873 1.00 22.20 C ATOM 858 SG CYS A 61 49.542 36.626 -10.704 1.00 18.03 S ATOM 859 HA CYS A 61 48.639 36.897 -13.457 1.00 0.00 H ATOM 860 HB2 CYS A 61 49.348 38.927 -11.323 1.00 0.00 H ATOM 861 HB3 CYS A 61 50.570 38.079 -12.299 1.00 0.00 H ATOM 862 H CYS A 61 49.016 39.872 -13.777 1.00 0.00 H ATOM 863 N ARG A 62 46.298 37.108 -12.761 1.00 24.11 N ATOM 864 CA ARG A 62 44.902 37.162 -12.348 1.00 22.43 C ATOM 865 C ARG A 62 44.569 35.982 -11.437 1.00 22.03 C ATOM 866 O ARG A 62 44.165 34.920 -11.900 1.00 27.08 O ATOM 867 CB ARG A 62 44.026 37.157 -13.598 1.00 19.80 C ATOM 868 CG ARG A 62 44.366 38.296 -14.558 1.00 18.44 C ATOM 869 CD ARG A 62 43.578 38.183 -15.858 1.00 28.08 C ATOM 870 NE ARG A 62 44.216 37.289 -16.827 1.00 25.73 N ATOM 871 CZ ARG A 62 45.339 37.578 -17.477 1.00 24.28 C ATOM 872 NH1 ARG A 62 45.947 38.735 -17.265 1.00 25.22 N ATOM 873 NH2 ARG A 62 45.857 36.715 -18.337 1.00 24.54 N ATOM 874 HA ARG A 62 44.715 38.074 -11.780 1.00 0.00 H ATOM 875 HB2 ARG A 62 44.164 36.209 -14.118 1.00 0.00 H ATOM 876 HB3 ARG A 62 42.984 37.255 -13.295 1.00 0.00 H ATOM 877 HG2 ARG A 62 44.127 39.246 -14.080 1.00 0.00 H ATOM 878 HG3 ARG A 62 45.432 38.262 -14.785 1.00 0.00 H ATOM 879 HD2 ARG A 62 43.492 39.175 -16.302 1.00 0.00 H ATOM 880 HD3 ARG A 62 42.583 37.800 -15.631 1.00 0.00 H ATOM 881 HE ARG A 62 43.763 36.373 -17.018 1.00 0.00 H ATOM 882 HH12 ARG A 62 46.826 38.962 -17.773 1.00 0.00 H ATOM 883 HH11 ARG A 62 45.546 39.417 -16.590 1.00 0.00 H ATOM 884 HH22 ARG A 62 46.736 36.948 -18.842 1.00 0.00 H ATOM 885 HH21 ARG A 62 45.385 35.804 -18.508 1.00 0.00 H ATOM 886 H ARG A 62 46.636 36.275 -13.285 1.00 0.00 H ATOM 887 N PRO A 63 44.734 36.167 -10.120 1.00 23.40 N ATOM 888 CA PRO A 63 44.494 35.194 -9.050 1.00 23.31 C ATOM 889 C PRO A 63 43.324 34.232 -9.212 1.00 25.04 C ATOM 890 O PRO A 63 43.408 33.082 -8.788 1.00 28.09 O ATOM 891 CB PRO A 63 44.337 36.081 -7.820 1.00 23.74 C ATOM 892 CG PRO A 63 45.309 37.153 -8.082 1.00 20.65 C ATOM 893 CD PRO A 63 45.043 37.487 -9.542 1.00 22.39 C ATOM 894 HA PRO A 63 45.317 34.480 -9.016 1.00 0.00 H ATOM 895 HD3 PRO A 63 44.199 38.169 -9.643 1.00 0.00 H ATOM 896 HD2 PRO A 63 45.922 37.927 -10.012 1.00 0.00 H ATOM 897 HG3 PRO A 63 46.331 36.803 -7.937 1.00 0.00 H ATOM 898 HG2 PRO A 63 45.128 38.015 -7.441 1.00 0.00 H ATOM 899 HB2 PRO A 63 43.324 36.476 -7.744 1.00 0.00 H ATOM 900 HB3 PRO A 63 44.583 35.538 -6.907 1.00 0.00 H ATOM 901 N TYR A 64 42.235 34.692 -9.815 1.00 25.85 N ATOM 902 CA TYR A 64 41.060 33.842 -9.986 1.00 26.25 C ATOM 903 C TYR A 64 41.080 32.924 -11.200 1.00 25.60 C ATOM 904 O TYR A 64 40.528 31.820 -11.157 1.00 22.83 O ATOM 905 CB TYR A 64 39.794 34.685 -10.080 1.00 28.95 C ATOM 906 CG TYR A 64 39.335 35.298 -8.790 1.00 35.11 C ATOM 907 CD1 TYR A 64 39.876 36.492 -8.324 1.00 34.00 C ATOM 908 CD2 TYR A 64 38.317 34.707 -8.057 1.00 41.23 C ATOM 909 CE1 TYR A 64 39.405 37.084 -7.164 1.00 42.23 C ATOM 910 CE2 TYR A 64 37.838 35.286 -6.898 1.00 48.71 C ATOM 911 CZ TYR A 64 38.380 36.476 -6.453 1.00 49.31 C ATOM 912 OH TYR A 64 37.876 37.058 -5.307 1.00 55.47 O ATOM 913 HA TYR A 64 41.075 33.207 -9.100 1.00 0.00 H ATOM 914 HB3 TYR A 64 38.992 34.049 -10.455 1.00 0.00 H ATOM 915 HB2 TYR A 64 39.978 35.492 -10.790 1.00 0.00 H ATOM 916 HD2 TYR A 64 37.886 33.767 -8.402 1.00 0.00 H ATOM 917 HE2 TYR A 64 37.036 34.806 -6.337 1.00 0.00 H ATOM 918 HE1 TYR A 64 39.836 38.021 -6.812 1.00 0.00 H ATOM 919 HD1 TYR A 64 40.683 36.969 -8.880 1.00 0.00 H ATOM 920 HH TYR A 64 37.988 36.435 -4.546 1.00 0.00 H ATOM 921 H TYR A 64 42.218 35.669 -10.170 1.00 0.00 H ATOM 922 N PHE A 65 41.709 33.379 -12.279 1.00 20.75 N ATOM 923 CA PHE A 65 41.733 32.611 -13.510 1.00 18.24 C ATOM 924 C PHE A 65 43.066 31.938 -13.789 1.00 20.28 C ATOM 925 O PHE A 65 43.169 31.098 -14.686 1.00 21.17 O ATOM 926 CB PHE A 65 41.334 33.531 -14.667 1.00 19.50 C ATOM 927 CG PHE A 65 40.039 34.273 -14.427 1.00 19.38 C ATOM 928 CD1 PHE A 65 38.812 33.659 -14.647 1.00 21.85 C ATOM 929 CD2 PHE A 65 40.050 35.572 -13.924 1.00 22.04 C ATOM 930 CE1 PHE A 65 37.616 34.328 -14.364 1.00 25.65 C ATOM 931 CE2 PHE A 65 38.865 36.246 -13.636 1.00 20.76 C ATOM 932 CZ PHE A 65 37.647 35.627 -13.857 1.00 21.11 C ATOM 933 HA PHE A 65 41.019 31.794 -13.402 1.00 0.00 H ATOM 934 HB2 PHE A 65 42.128 34.262 -14.817 1.00 0.00 H ATOM 935 HB3 PHE A 65 41.224 32.926 -15.567 1.00 0.00 H ATOM 936 HD2 PHE A 65 41.004 36.071 -13.752 1.00 0.00 H ATOM 937 HE2 PHE A 65 38.897 37.260 -13.237 1.00 0.00 H ATOM 938 HZ PHE A 65 36.717 36.152 -13.636 1.00 0.00 H ATOM 939 HE1 PHE A 65 36.660 33.834 -14.540 1.00 0.00 H ATOM 940 HD1 PHE A 65 38.781 32.645 -15.045 1.00 0.00 H ATOM 941 H PHE A 65 42.191 34.300 -12.240 1.00 0.00 H ATOM 942 N LYS A 66 44.086 32.289 -13.017 1.00 21.78 N ATOM 943 CA LYS A 66 45.399 31.693 -13.219 1.00 23.34 C ATOM 944 C LYS A 66 45.399 30.201 -12.860 1.00 25.75 C ATOM 945 O LYS A 66 44.940 29.800 -11.788 1.00 24.17 O ATOM 946 CB LYS A 66 46.447 32.436 -12.392 1.00 20.13 C ATOM 947 CG LYS A 66 47.862 31.898 -12.564 1.00 22.51 C ATOM 948 CD LYS A 66 48.246 31.870 -14.029 1.00 21.90 C ATOM 949 CE LYS A 66 49.695 31.501 -14.221 1.00 21.78 C ATOM 950 NZ LYS A 66 50.000 31.307 -15.664 1.00 24.43 N ATOM 951 HA LYS A 66 45.649 31.782 -14.276 1.00 0.00 H ATOM 952 HB2 LYS A 66 46.439 33.485 -12.689 1.00 0.00 H ATOM 953 HB3 LYS A 66 46.174 32.356 -11.340 1.00 0.00 H ATOM 954 HG2 LYS A 66 48.558 32.539 -12.023 1.00 0.00 H ATOM 955 HG3 LYS A 66 47.913 30.887 -12.160 1.00 0.00 H ATOM 956 HD2 LYS A 66 47.624 31.137 -14.543 1.00 0.00 H ATOM 957 HD3 LYS A 66 48.073 32.857 -14.458 1.00 0.00 H ATOM 958 HE2 LYS A 66 49.904 30.576 -13.683 1.00 0.00 H ATOM 959 HE3 LYS A 66 50.323 32.299 -13.826 1.00 0.00 H ATOM 960 HZ1 LYS A 66 49.404 30.543 -16.043 1.00 0.00 H ATOM 961 HZ2 LYS A 66 49.805 32.189 -16.180 1.00 0.00 H ATOM 962 HZ3 LYS A 66 51.003 31.054 -15.774 1.00 0.00 H ATOM 963 H LYS A 66 43.947 32.993 -12.264 1.00 0.00 H ATOM 964 N THR A 67 45.900 29.381 -13.778 1.00 29.69 N ATOM 965 CA THR A 67 45.970 27.941 -13.562 1.00 27.72 C ATOM 966 C THR A 67 47.384 27.621 -13.137 1.00 28.67 C ATOM 967 O THR A 67 48.322 27.843 -13.891 1.00 34.93 O ATOM 968 CB THR A 67 45.675 27.160 -14.849 1.00 25.12 C ATOM 969 OG1 THR A 67 44.395 27.548 -15.361 1.00 30.13 O ATOM 970 CG2 THR A 67 45.671 25.672 -14.568 1.00 25.99 C ATOM 971 HA THR A 67 45.231 27.658 -12.812 1.00 0.00 H ATOM 972 HB THR A 67 46.450 27.383 -15.583 1.00 0.00 H ATOM 973 HG1 THR A 67 44.206 27.043 -16.191 1.00 0.00 H ATOM 974 HG23 THR A 67 46.644 25.375 -14.178 1.00 0.00 H ATOM 975 HG21 THR A 67 44.899 25.444 -13.833 1.00 0.00 H ATOM 976 HG22 THR A 67 45.467 25.130 -15.491 1.00 0.00 H ATOM 977 H THR A 67 46.251 29.777 -14.673 1.00 0.00 H ATOM 978 N TYR A 68 47.552 27.114 -11.926 1.00 28.38 N ATOM 979 CA TYR A 68 48.886 26.785 -11.464 1.00 25.78 C ATOM 980 C TYR A 68 49.059 25.277 -11.366 1.00 24.36 C ATOM 981 O TYR A 68 48.135 24.517 -11.657 1.00 25.99 O ATOM 982 CB TYR A 68 49.158 27.464 -10.116 1.00 25.08 C ATOM 983 CG TYR A 68 48.036 27.325 -9.116 1.00 26.54 C ATOM 984 CD1 TYR A 68 47.671 26.077 -8.620 1.00 24.93 C ATOM 985 CD2 TYR A 68 47.345 28.448 -8.655 1.00 29.35 C ATOM 986 CE1 TYR A 68 46.649 25.943 -7.686 1.00 28.31 C ATOM 987 CE2 TYR A 68 46.317 28.326 -7.719 1.00 29.60 C ATOM 988 CZ TYR A 68 45.977 27.067 -7.239 1.00 30.05 C ATOM 989 OH TYR A 68 44.981 26.925 -6.301 1.00 29.99 O ATOM 990 HA TYR A 68 49.613 27.157 -12.186 1.00 0.00 H ATOM 991 HB3 TYR A 68 49.327 28.526 -10.296 1.00 0.00 H ATOM 992 HB2 TYR A 68 50.057 27.022 -9.686 1.00 0.00 H ATOM 993 HD2 TYR A 68 47.613 29.435 -9.032 1.00 0.00 H ATOM 994 HE2 TYR A 68 45.786 29.210 -7.368 1.00 0.00 H ATOM 995 HE1 TYR A 68 46.379 24.957 -7.308 1.00 0.00 H ATOM 996 HD1 TYR A 68 48.196 25.188 -8.970 1.00 0.00 H ATOM 997 HH TYR A 68 45.223 27.431 -5.485 1.00 0.00 H ATOM 998 H TYR A 68 46.731 26.952 -11.309 1.00 0.00 H ATOM 999 N SER A 69 50.247 24.851 -10.962 1.00 23.03 N ATOM 1000 CA SER A 69 50.556 23.438 -10.833 1.00 23.70 C ATOM 1001 C SER A 69 50.671 23.050 -9.361 1.00 25.68 C ATOM 1002 O SER A 69 51.488 23.612 -8.627 1.00 28.76 O ATOM 1003 CB SER A 69 51.869 23.137 -11.558 1.00 27.18 C ATOM 1004 OG SER A 69 52.157 21.749 -11.530 1.00 34.40 O ATOM 1005 HA SER A 69 49.751 22.855 -11.281 1.00 0.00 H ATOM 1006 HB2 SER A 69 52.679 23.679 -11.070 1.00 0.00 H ATOM 1007 HB3 SER A 69 51.787 23.464 -12.595 1.00 0.00 H ATOM 1008 HG SER A 69 53.009 21.580 -12.004 1.00 0.00 H ATOM 1009 H SER A 69 50.981 25.550 -10.730 1.00 0.00 H ATOM 1010 N TYR A 70 49.846 22.097 -8.934 1.00 22.98 N ATOM 1011 CA TYR A 70 49.789 21.630 -7.550 1.00 20.92 C ATOM 1012 C TYR A 70 49.220 20.235 -7.492 1.00 25.23 C ATOM 1013 O TYR A 70 48.619 19.731 -8.435 1.00 20.99 O ATOM 1014 CB TYR A 70 48.876 22.481 -6.684 1.00 19.13 C ATOM 1015 CG TYR A 70 47.402 22.116 -6.889 1.00 17.17 C ATOM 1016 CD1 TYR A 70 46.781 22.324 -8.127 1.00 16.85 C ATOM 1017 CD2 TYR A 70 46.636 21.565 -5.853 1.00 16.91 C ATOM 1018 CE1 TYR A 70 45.437 21.988 -8.336 1.00 17.92 C ATOM 1019 CE2 TYR A 70 45.285 21.226 -6.047 1.00 16.72 C ATOM 1020 CZ TYR A 70 44.695 21.439 -7.295 1.00 23.45 C ATOM 1021 OH TYR A 70 43.376 21.093 -7.484 1.00 23.76 O ATOM 1022 HA TYR A 70 50.813 21.680 -7.181 1.00 0.00 H ATOM 1023 HB3 TYR A 70 49.020 23.530 -6.942 1.00 0.00 H ATOM 1024 HB2 TYR A 70 49.137 22.327 -5.637 1.00 0.00 H ATOM 1025 HD2 TYR A 70 47.096 21.396 -4.879 1.00 0.00 H ATOM 1026 HE2 TYR A 70 44.703 20.800 -5.230 1.00 0.00 H ATOM 1027 HE1 TYR A 70 44.975 22.156 -9.309 1.00 0.00 H ATOM 1028 HD1 TYR A 70 47.356 22.757 -8.946 1.00 0.00 H ATOM 1029 HH TYR A 70 43.110 21.305 -8.414 1.00 0.00 H ATOM 1030 H TYR A 70 49.204 21.659 -9.625 1.00 0.00 H ATOM 1031 N GLU A 71 49.426 19.619 -6.344 1.00 30.08 N ATOM 1032 CA GLU A 71 48.964 18.265 -6.115 1.00 34.83 C ATOM 1033 C GLU A 71 48.571 18.086 -4.660 1.00 35.41 C ATOM 1034 O GLU A 71 49.021 18.823 -3.786 1.00 37.16 O ATOM 1035 CB GLU A 71 50.036 17.294 -6.589 1.00 37.10 C ATOM 1036 CG GLU A 71 50.937 16.752 -5.501 1.00 46.76 C ATOM 1037 CD GLU A 71 50.935 15.239 -5.531 1.00 50.37 C ATOM 1038 OE1 GLU A 71 51.010 14.664 -6.642 1.00 51.70 O ATOM 1039 OE2 GLU A 71 50.862 14.627 -4.446 1.00 51.72 O ATOM 1040 HA GLU A 71 48.063 18.054 -6.692 1.00 0.00 H ATOM 1041 HB2 GLU A 71 49.540 16.450 -7.068 1.00 0.00 H ATOM 1042 HB3 GLU A 71 50.660 17.809 -7.319 1.00 0.00 H ATOM 1043 HG2 GLU A 71 51.953 17.115 -5.659 1.00 0.00 H ATOM 1044 HG3 GLU A 71 50.577 17.094 -4.531 1.00 0.00 H ATOM 1045 H GLU A 71 49.932 20.117 -5.585 1.00 0.00 H ATOM 1046 N CYS A 72 47.711 17.131 -4.399 1.00 37.19 N ATOM 1047 CA CYS A 72 47.310 16.815 -3.047 1.00 41.40 C ATOM 1048 C CYS A 72 47.223 15.315 -2.908 1.00 40.92 C ATOM 1049 O CYS A 72 46.346 14.687 -3.493 1.00 45.51 O ATOM 1050 CB CYS A 72 45.981 17.468 -2.694 1.00 43.67 C ATOM 1051 SG CYS A 72 45.599 17.490 -0.909 1.00 47.87 S ATOM 1052 HA CYS A 72 48.052 17.209 -2.352 1.00 0.00 H ATOM 1053 HB2 CYS A 72 45.187 16.924 -3.206 1.00 0.00 H ATOM 1054 HB3 CYS A 72 46.002 18.498 -3.051 1.00 0.00 H ATOM 1055 H CYS A 72 47.306 16.586 -5.187 1.00 0.00 H ATOM 1056 N THR A 73 48.140 14.735 -2.147 1.00 41.03 N ATOM 1057 CA THR A 73 48.113 13.296 -1.937 1.00 43.47 C ATOM 1058 C THR A 73 48.432 12.926 -0.510 1.00 42.24 C ATOM 1059 O THR A 73 49.267 13.555 0.146 1.00 43.96 O ATOM 1060 CB THR A 73 49.110 12.548 -2.829 1.00 45.64 C ATOM 1061 OG1 THR A 73 50.436 13.014 -2.554 1.00 49.44 O ATOM 1062 CG2 THR A 73 48.764 12.746 -4.294 1.00 49.13 C ATOM 1063 HA THR A 73 47.095 13.000 -2.191 1.00 0.00 H ATOM 1064 HB THR A 73 49.056 11.481 -2.613 1.00 0.00 H ATOM 1065 HG1 THR A 73 50.489 13.985 -2.740 1.00 0.00 H ATOM 1066 HG23 THR A 73 47.752 12.385 -4.479 1.00 0.00 H ATOM 1067 HG21 THR A 73 48.823 13.806 -4.540 1.00 0.00 H ATOM 1068 HG22 THR A 73 49.469 12.189 -4.911 1.00 0.00 H ATOM 1069 H THR A 73 48.881 15.311 -1.699 1.00 0.00 H ATOM 1070 N GLN A 74 47.752 11.889 -0.044 1.00 39.00 N ATOM 1071 CA GLN A 74 47.942 11.379 1.294 1.00 35.88 C ATOM 1072 C GLN A 74 48.075 12.497 2.314 1.00 33.40 C ATOM 1073 O GLN A 74 48.997 12.514 3.135 1.00 29.82 O ATOM 1074 CB GLN A 74 49.153 10.453 1.284 1.00 34.29 C ATOM 1075 CG GLN A 74 48.922 9.304 0.315 1.00 33.68 C ATOM 1076 CD GLN A 74 50.161 8.505 -0.008 1.00 37.25 C ATOM 1077 OE1 GLN A 74 50.110 7.580 -0.817 1.00 38.41 O ATOM 1078 NE2 GLN A 74 51.282 8.852 0.617 1.00 41.04 N ATOM 1079 HA GLN A 74 47.062 10.814 1.601 1.00 0.00 H ATOM 1080 HB2 GLN A 74 50.035 11.015 0.975 1.00 0.00 H ATOM 1081 HB3 GLN A 74 49.311 10.054 2.286 1.00 0.00 H ATOM 1082 HG2 GLN A 74 48.186 8.630 0.753 1.00 0.00 H ATOM 1083 HG3 GLN A 74 48.529 9.715 -0.615 1.00 0.00 H ATOM 1084 HE22 GLN A 74 51.277 9.642 1.294 1.00 0.00 H ATOM 1085 HE21 GLN A 74 52.164 8.334 0.429 1.00 0.00 H ATOM 1086 H GLN A 74 47.057 11.426 -0.663 1.00 0.00 H ATOM 1087 N GLY A 75 47.130 13.433 2.229 1.00 31.45 N ATOM 1088 CA GLY A 75 47.077 14.561 3.143 1.00 33.48 C ATOM 1089 C GLY A 75 48.190 15.576 3.018 1.00 31.25 C ATOM 1090 O GLY A 75 48.578 16.187 4.006 1.00 30.86 O ATOM 1091 HA3 GLY A 75 47.099 14.167 4.159 1.00 0.00 H ATOM 1092 HA2 GLY A 75 46.133 15.080 2.976 1.00 0.00 H ATOM 1093 H GLY A 75 46.408 13.353 1.485 1.00 0.00 H ATOM 1094 N THR A 76 48.700 15.766 1.807 1.00 33.12 N ATOM 1095 CA THR A 76 49.782 16.717 1.581 1.00 30.01 C ATOM 1096 C THR A 76 49.469 17.613 0.389 1.00 27.79 C ATOM 1097 O THR A 76 49.275 17.141 -0.733 1.00 24.13 O ATOM 1098 CB THR A 76 51.099 15.985 1.316 1.00 30.38 C ATOM 1099 OG1 THR A 76 51.294 14.992 2.325 1.00 34.14 O ATOM 1100 CG2 THR A 76 52.263 16.956 1.338 1.00 28.84 C ATOM 1101 HA THR A 76 49.879 17.326 2.480 1.00 0.00 H ATOM 1102 HB THR A 76 51.051 15.518 0.332 1.00 0.00 H ATOM 1103 HG1 THR A 76 50.543 14.347 2.301 1.00 0.00 H ATOM 1104 HG23 THR A 76 52.116 17.714 0.569 1.00 0.00 H ATOM 1105 HG21 THR A 76 52.317 17.434 2.316 1.00 0.00 H ATOM 1106 HG22 THR A 76 53.189 16.415 1.145 1.00 0.00 H ATOM 1107 H THR A 76 48.320 15.226 1.004 1.00 0.00 H ATOM 1108 N LEU A 77 49.420 18.911 0.644 1.00 27.12 N ATOM 1109 CA LEU A 77 49.126 19.880 -0.396 1.00 28.64 C ATOM 1110 C LEU A 77 50.461 20.453 -0.832 1.00 26.83 C ATOM 1111 O LEU A 77 51.186 21.032 -0.025 1.00 24.87 O ATOM 1112 CB LEU A 77 48.217 20.968 0.174 1.00 28.83 C ATOM 1113 CG LEU A 77 47.432 21.854 -0.788 1.00 24.69 C ATOM 1114 CD1 LEU A 77 46.809 21.034 -1.908 1.00 23.86 C ATOM 1115 CD2 LEU A 77 46.374 22.572 0.015 1.00 20.02 C ATOM 1116 HA LEU A 77 48.609 19.433 -1.245 1.00 0.00 H ATOM 1117 HB2 LEU A 77 47.490 20.473 0.818 1.00 0.00 H ATOM 1118 HB3 LEU A 77 48.844 21.626 0.775 1.00 0.00 H ATOM 1119 HG LEU A 77 48.097 22.574 -1.264 1.00 0.00 H ATOM 1120 HD21 LEU A 77 45.715 21.840 0.482 1.00 0.00 H ATOM 1121 HD22 LEU A 77 46.852 23.177 0.786 1.00 0.00 H ATOM 1122 HD23 LEU A 77 45.793 23.216 -0.645 1.00 0.00 H ATOM 1123 HD11 LEU A 77 47.596 20.526 -2.466 1.00 0.00 H ATOM 1124 HD12 LEU A 77 46.130 20.296 -1.482 1.00 0.00 H ATOM 1125 HD13 LEU A 77 46.257 21.695 -2.576 1.00 0.00 H ATOM 1126 H LEU A 77 49.596 19.245 1.613 1.00 0.00 H ATOM 1127 N THR A 78 50.778 20.297 -2.111 1.00 27.37 N ATOM 1128 CA THR A 78 52.056 20.751 -2.638 1.00 31.66 C ATOM 1129 C THR A 78 52.009 21.626 -3.882 1.00 32.49 C ATOM 1130 O THR A 78 51.357 21.283 -4.864 1.00 37.41 O ATOM 1131 CB THR A 78 52.947 19.530 -2.957 1.00 33.36 C ATOM 1132 OG1 THR A 78 53.437 18.969 -1.734 1.00 39.33 O ATOM 1133 CG2 THR A 78 54.110 19.921 -3.844 1.00 34.49 C ATOM 1134 HA THR A 78 52.455 21.383 -1.845 1.00 0.00 H ATOM 1135 HB THR A 78 52.348 18.792 -3.490 1.00 0.00 H ATOM 1136 HG1 THR A 78 54.008 18.186 -1.937 1.00 0.00 H ATOM 1137 HG23 THR A 78 53.730 20.347 -4.773 1.00 0.00 H ATOM 1138 HG21 THR A 78 54.726 20.659 -3.330 1.00 0.00 H ATOM 1139 HG22 THR A 78 54.709 19.038 -4.066 1.00 0.00 H ATOM 1140 H THR A 78 50.098 19.840 -2.751 1.00 0.00 H ATOM 1141 N CYS A 79 52.710 22.757 -3.837 1.00 32.31 N ATOM 1142 CA CYS A 79 52.788 23.638 -4.996 1.00 30.94 C ATOM 1143 C CYS A 79 54.050 23.187 -5.706 1.00 31.94 C ATOM 1144 O CYS A 79 55.126 23.173 -5.114 1.00 33.81 O ATOM 1145 CB CYS A 79 52.891 25.116 -4.580 1.00 30.27 C ATOM 1146 SG CYS A 79 51.316 25.802 -3.968 1.00 25.97 S ATOM 1147 HA CYS A 79 51.899 23.576 -5.624 1.00 0.00 H ATOM 1148 HB2 CYS A 79 53.210 25.698 -5.445 1.00 0.00 H ATOM 1149 HB3 CYS A 79 53.637 25.203 -3.790 1.00 0.00 H ATOM 1150 H CYS A 79 53.209 23.016 -2.962 1.00 0.00 H ATOM 1151 N LYS A 80 53.908 22.795 -6.966 1.00 35.61 N ATOM 1152 CA LYS A 80 55.035 22.303 -7.752 1.00 37.92 C ATOM 1153 C LYS A 80 56.035 23.364 -8.201 1.00 40.90 C ATOM 1154 O LYS A 80 55.745 24.562 -8.180 1.00 41.49 O ATOM 1155 CB LYS A 80 54.517 21.536 -8.967 1.00 39.59 C ATOM 1156 CG LYS A 80 53.712 20.296 -8.608 1.00 38.72 C ATOM 1157 CD LYS A 80 53.529 19.424 -9.831 1.00 45.93 C ATOM 1158 CE LYS A 80 52.654 18.224 -9.545 1.00 51.65 C ATOM 1159 NZ LYS A 80 52.528 17.365 -10.754 1.00 54.49 N ATOM 1160 HA LYS A 80 55.593 21.654 -7.077 1.00 0.00 H ATOM 1161 HB2 LYS A 80 53.882 22.203 -9.550 1.00 0.00 H ATOM 1162 HB3 LYS A 80 55.371 21.230 -9.571 1.00 0.00 H ATOM 1163 HG2 LYS A 80 54.240 19.733 -7.839 1.00 0.00 H ATOM 1164 HG3 LYS A 80 52.735 20.597 -8.230 1.00 0.00 H ATOM 1165 HD2 LYS A 80 53.067 20.017 -10.620 1.00 0.00 H ATOM 1166 HD3 LYS A 80 54.506 19.076 -10.165 1.00 0.00 H ATOM 1167 HE2 LYS A 80 51.664 18.566 -9.244 1.00 0.00 H ATOM 1168 HE3 LYS A 80 53.097 17.642 -8.737 1.00 0.00 H ATOM 1169 HZ1 LYS A 80 52.102 17.916 -11.526 1.00 0.00 H ATOM 1170 HZ2 LYS A 80 53.471 17.033 -11.042 1.00 0.00 H ATOM 1171 HZ3 LYS A 80 51.923 16.547 -10.535 1.00 0.00 H ATOM 1172 H LYS A 80 52.967 22.840 -7.406 1.00 0.00 H ATOM 1173 N GLY A 81 57.211 22.903 -8.622 1.00 42.58 N ATOM 1174 CA GLY A 81 58.269 23.834 -9.015 1.00 41.48 C ATOM 1175 C GLY A 81 58.123 24.450 -10.411 1.00 43.75 C ATOM 1176 O GLY A 81 58.721 25.484 -10.687 1.00 47.35 O ATOM 1177 HA3 GLY A 81 59.217 23.298 -8.982 1.00 0.00 H ATOM 1178 HA2 GLY A 81 58.287 24.647 -8.289 1.00 0.00 H ATOM 1179 H GLY A 81 57.378 21.878 -8.672 1.00 0.00 H ATOM 1180 N ASP A 82 57.359 23.833 -11.303 1.00 44.05 N ATOM 1181 CA ASP A 82 57.278 24.380 -12.647 1.00 44.36 C ATOM 1182 C ASP A 82 56.634 25.779 -12.755 1.00 41.86 C ATOM 1183 O ASP A 82 56.760 26.426 -13.782 1.00 43.82 O ATOM 1184 CB ASP A 82 56.599 23.396 -13.617 1.00 44.67 C ATOM 1185 CG ASP A 82 55.559 22.459 -12.995 1.00 47.69 C ATOM 1186 OD1 ASP A 82 55.377 22.493 -11.773 1.00 47.81 O ATOM 1187 OD2 ASP A 82 54.918 21.706 -13.758 1.00 53.35 O ATOM 1188 HA ASP A 82 58.319 24.522 -12.939 1.00 0.00 H ATOM 1189 HB2 ASP A 82 56.103 23.979 -14.393 1.00 0.00 H ATOM 1190 HB3 ASP A 82 57.377 22.780 -14.069 1.00 0.00 H ATOM 1191 H ASP A 82 56.829 22.976 -11.046 1.00 0.00 H ATOM 1192 N ASN A 83 55.944 26.247 -11.695 1.00 38.29 N ATOM 1193 CA ASN A 83 55.197 27.519 -11.732 1.00 34.49 C ATOM 1194 C ASN A 83 56.021 28.795 -11.880 1.00 32.88 C ATOM 1195 O ASN A 83 57.095 28.925 -11.288 1.00 31.88 O ATOM 1196 CB ASN A 83 54.342 27.637 -10.466 1.00 33.20 C ATOM 1197 CG ASN A 83 53.242 26.608 -10.411 1.00 29.74 C ATOM 1198 OD1 ASN A 83 52.494 26.443 -11.371 1.00 31.21 O ATOM 1199 ND2 ASN A 83 53.128 25.916 -9.285 1.00 26.59 N ATOM 1200 HA ASN A 83 54.606 27.457 -12.646 1.00 0.00 H ATOM 1201 HB2 ASN A 83 54.986 27.507 -9.596 1.00 0.00 H ATOM 1202 HB3 ASN A 83 53.893 28.630 -10.439 1.00 0.00 H ATOM 1203 HD22 ASN A 83 53.785 26.091 -8.498 1.00 0.00 H ATOM 1204 HD21 ASN A 83 52.381 25.199 -9.189 1.00 0.00 H ATOM 1205 H ASN A 83 55.938 25.690 -10.817 1.00 0.00 H ATOM 1206 N ASN A 84 55.522 29.734 -12.681 1.00 31.07 N ATOM 1207 CA ASN A 84 56.208 31.006 -12.853 1.00 28.53 C ATOM 1208 C ASN A 84 55.945 31.793 -11.580 1.00 26.92 C ATOM 1209 O ASN A 84 55.253 31.311 -10.685 1.00 29.84 O ATOM 1210 CB ASN A 84 55.665 31.779 -14.062 1.00 26.37 C ATOM 1211 CG ASN A 84 54.176 32.026 -13.984 1.00 28.45 C ATOM 1212 OD1 ASN A 84 53.604 32.136 -12.901 1.00 35.55 O ATOM 1213 ND2 ASN A 84 53.540 32.137 -15.138 1.00 31.96 N ATOM 1214 HA ASN A 84 57.272 30.849 -13.032 1.00 0.00 H ATOM 1215 HB2 ASN A 84 56.175 32.741 -14.117 1.00 0.00 H ATOM 1216 HB3 ASN A 84 55.876 31.205 -14.965 1.00 0.00 H ATOM 1217 HD22 ASN A 84 54.063 32.037 -16.032 1.00 0.00 H ATOM 1218 HD21 ASN A 84 52.517 32.324 -15.152 1.00 0.00 H ATOM 1219 H ASN A 84 54.632 29.557 -13.189 1.00 0.00 H ATOM 1220 N ALA A 85 56.478 33.004 -11.502 1.00 24.98 N ATOM 1221 CA ALA A 85 56.303 33.831 -10.315 1.00 24.84 C ATOM 1222 C ALA A 85 54.841 33.971 -9.897 1.00 25.52 C ATOM 1223 O ALA A 85 54.492 33.757 -8.736 1.00 27.28 O ATOM 1224 CB ALA A 85 56.910 35.200 -10.547 1.00 22.01 C ATOM 1225 HA ALA A 85 56.818 33.327 -9.497 1.00 0.00 H ATOM 1226 HB1 ALA A 85 57.974 35.093 -10.758 1.00 0.00 H ATOM 1227 HB2 ALA A 85 56.416 35.676 -11.394 1.00 0.00 H ATOM 1228 HB3 ALA A 85 56.775 35.812 -9.655 1.00 0.00 H ATOM 1229 H ALA A 85 57.031 33.371 -12.303 1.00 0.00 H ATOM 1230 N CYS A 86 53.990 34.329 -10.850 1.00 25.76 N ATOM 1231 CA CYS A 86 52.571 34.518 -10.590 1.00 23.29 C ATOM 1232 C CYS A 86 51.871 33.246 -10.114 1.00 25.36 C ATOM 1233 O CYS A 86 51.259 33.230 -9.041 1.00 29.40 O ATOM 1234 CB CYS A 86 51.907 35.060 -11.848 1.00 20.01 C ATOM 1235 SG CYS A 86 50.087 35.051 -11.863 1.00 20.42 S ATOM 1236 HA CYS A 86 52.476 35.233 -9.773 1.00 0.00 H ATOM 1237 HB2 CYS A 86 52.250 34.459 -12.691 1.00 0.00 H ATOM 1238 HB3 CYS A 86 52.236 36.091 -11.980 1.00 0.00 H ATOM 1239 H CYS A 86 54.349 34.479 -11.814 1.00 0.00 H ATOM 1240 N ALA A 87 51.956 32.180 -10.901 1.00 22.17 N ATOM 1241 CA ALA A 87 51.323 30.918 -10.524 1.00 21.47 C ATOM 1242 C ALA A 87 51.801 30.461 -9.141 1.00 21.79 C ATOM 1243 O ALA A 87 51.014 30.011 -8.318 1.00 25.09 O ATOM 1244 CB ALA A 87 51.633 29.854 -11.561 1.00 20.93 C ATOM 1245 HA ALA A 87 50.245 31.072 -10.480 1.00 0.00 H ATOM 1246 HB1 ALA A 87 51.252 30.172 -12.531 1.00 0.00 H ATOM 1247 HB2 ALA A 87 52.712 29.711 -11.622 1.00 0.00 H ATOM 1248 HB3 ALA A 87 51.157 28.917 -11.272 1.00 0.00 H ATOM 1249 H ALA A 87 52.480 32.244 -11.797 1.00 0.00 H ATOM 1250 N ALA A 88 53.099 30.575 -8.894 1.00 20.15 N ATOM 1251 CA ALA A 88 53.663 30.184 -7.615 1.00 18.76 C ATOM 1252 C ALA A 88 52.998 30.961 -6.475 1.00 22.22 C ATOM 1253 O ALA A 88 52.544 30.375 -5.488 1.00 25.85 O ATOM 1254 CB ALA A 88 55.168 30.435 -7.621 1.00 7.89 C ATOM 1255 HA ALA A 88 53.478 29.122 -7.456 1.00 0.00 H ATOM 1256 HB1 ALA A 88 55.630 29.849 -8.416 1.00 0.00 H ATOM 1257 HB2 ALA A 88 55.358 31.495 -7.792 1.00 0.00 H ATOM 1258 HB3 ALA A 88 55.588 30.140 -6.659 1.00 0.00 H ATOM 1259 H ALA A 88 53.726 30.953 -9.633 1.00 0.00 H ATOM 1260 N SER A 89 52.939 32.281 -6.619 1.00 22.26 N ATOM 1261 CA SER A 89 52.343 33.151 -5.607 1.00 22.05 C ATOM 1262 C SER A 89 50.899 32.761 -5.311 1.00 21.79 C ATOM 1263 O SER A 89 50.503 32.600 -4.155 1.00 20.19 O ATOM 1264 CB SER A 89 52.373 34.603 -6.088 1.00 19.46 C ATOM 1265 OG SER A 89 53.670 34.963 -6.504 1.00 24.13 O ATOM 1266 HA SER A 89 52.927 33.041 -4.693 1.00 0.00 H ATOM 1267 HB2 SER A 89 52.064 35.257 -5.272 1.00 0.00 H ATOM 1268 HB3 SER A 89 51.684 34.717 -6.925 1.00 0.00 H ATOM 1269 HG SER A 89 53.953 34.373 -7.247 1.00 0.00 H ATOM 1270 H SER A 89 53.331 32.710 -7.482 1.00 0.00 H ATOM 1271 N VAL A 90 50.119 32.642 -6.381 1.00 19.42 N ATOM 1272 CA VAL A 90 48.718 32.288 -6.297 1.00 15.13 C ATOM 1273 C VAL A 90 48.585 30.959 -5.604 1.00 15.12 C ATOM 1274 O VAL A 90 47.820 30.817 -4.654 1.00 18.13 O ATOM 1275 CB VAL A 90 48.102 32.186 -7.698 1.00 17.56 C ATOM 1276 CG1 VAL A 90 46.634 31.800 -7.605 1.00 20.05 C ATOM 1277 CG2 VAL A 90 48.262 33.511 -8.421 1.00 14.08 C ATOM 1278 HA VAL A 90 48.194 33.062 -5.736 1.00 0.00 H ATOM 1279 HB VAL A 90 48.620 31.410 -8.262 1.00 0.00 H ATOM 1280 HG11 VAL A 90 46.544 30.835 -7.106 1.00 0.00 H ATOM 1281 HG12 VAL A 90 46.096 32.557 -7.034 1.00 0.00 H ATOM 1282 HG13 VAL A 90 46.213 31.732 -8.608 1.00 0.00 H ATOM 1283 HG21 VAL A 90 47.755 34.294 -7.858 1.00 0.00 H ATOM 1284 HG22 VAL A 90 49.322 33.751 -8.507 1.00 0.00 H ATOM 1285 HG23 VAL A 90 47.824 33.436 -9.416 1.00 0.00 H ATOM 1286 H VAL A 90 50.534 32.811 -7.320 1.00 0.00 H ATOM 1287 N CYS A 91 49.339 29.978 -6.082 1.00 19.78 N ATOM 1288 CA CYS A 91 49.300 28.654 -5.493 1.00 17.26 C ATOM 1289 C CYS A 91 49.498 28.754 -3.982 1.00 16.76 C ATOM 1290 O CYS A 91 48.675 28.286 -3.199 1.00 17.63 O ATOM 1291 CB CYS A 91 50.384 27.761 -6.097 1.00 16.32 C ATOM 1292 SG CYS A 91 50.166 26.013 -5.628 1.00 26.39 S ATOM 1293 HA CYS A 91 48.327 28.210 -5.704 1.00 0.00 H ATOM 1294 HB2 CYS A 91 51.358 28.102 -5.745 1.00 0.00 H ATOM 1295 HB3 CYS A 91 50.343 27.842 -7.183 1.00 0.00 H ATOM 1296 H CYS A 91 49.967 30.161 -6.891 1.00 0.00 H ATOM 1297 N ASP A 92 50.577 29.399 -3.569 1.00 16.14 N ATOM 1298 CA ASP A 92 50.859 29.510 -2.150 1.00 17.97 C ATOM 1299 C ASP A 92 49.803 30.281 -1.378 1.00 18.74 C ATOM 1300 O ASP A 92 49.580 30.015 -0.196 1.00 21.25 O ATOM 1301 CB ASP A 92 52.233 30.131 -1.935 1.00 23.82 C ATOM 1302 CG ASP A 92 53.002 29.441 -0.838 1.00 31.35 C ATOM 1303 OD1 ASP A 92 53.105 28.196 -0.895 1.00 33.70 O ATOM 1304 OD2 ASP A 92 53.500 30.132 0.078 1.00 41.34 O ATOM 1305 HA ASP A 92 50.844 28.495 -1.753 1.00 0.00 H ATOM 1306 HB2 ASP A 92 52.801 30.058 -2.862 1.00 0.00 H ATOM 1307 HB3 ASP A 92 52.107 31.181 -1.670 1.00 0.00 H ATOM 1308 H ASP A 92 51.224 29.827 -4.262 1.00 0.00 H ATOM 1309 N CYS A 93 49.159 31.245 -2.028 1.00 15.77 N ATOM 1310 CA CYS A 93 48.106 31.986 -1.356 1.00 16.09 C ATOM 1311 C CYS A 93 47.052 30.944 -0.978 1.00 18.14 C ATOM 1312 O CYS A 93 46.786 30.696 0.201 1.00 16.00 O ATOM 1313 CB CYS A 93 47.467 33.015 -2.291 1.00 19.11 C ATOM 1314 SG CYS A 93 48.425 34.520 -2.650 1.00 21.87 S ATOM 1315 HA CYS A 93 48.503 32.526 -0.496 1.00 0.00 H ATOM 1316 HB2 CYS A 93 46.524 33.326 -1.842 1.00 0.00 H ATOM 1317 HB3 CYS A 93 47.269 32.518 -3.240 1.00 0.00 H ATOM 1318 H CYS A 93 49.408 31.468 -3.013 1.00 0.00 H ATOM 1319 N ASP A 94 46.473 30.323 -2.002 1.00 18.91 N ATOM 1320 CA ASP A 94 45.450 29.305 -1.814 1.00 17.42 C ATOM 1321 C ASP A 94 45.874 28.216 -0.842 1.00 16.25 C ATOM 1322 O ASP A 94 45.097 27.804 0.026 1.00 12.98 O ATOM 1323 CB ASP A 94 45.090 28.668 -3.154 1.00 17.57 C ATOM 1324 CG ASP A 94 44.326 29.608 -4.058 1.00 18.50 C ATOM 1325 OD1 ASP A 94 43.835 30.640 -3.562 1.00 22.70 O ATOM 1326 OD2 ASP A 94 44.201 29.309 -5.263 1.00 19.75 O ATOM 1327 HA ASP A 94 44.583 29.809 -1.387 1.00 0.00 H ATOM 1328 HB2 ASP A 94 46.010 28.370 -3.657 1.00 0.00 H ATOM 1329 HB3 ASP A 94 44.477 27.786 -2.968 1.00 0.00 H ATOM 1330 H ASP A 94 46.761 30.573 -2.969 1.00 0.00 H ATOM 1331 N ARG A 95 47.108 27.750 -0.992 1.00 17.16 N ATOM 1332 CA ARG A 95 47.623 26.698 -0.132 1.00 22.10 C ATOM 1333 C ARG A 95 47.607 27.125 1.326 1.00 23.11 C ATOM 1334 O ARG A 95 47.086 26.400 2.177 1.00 18.33 O ATOM 1335 CB ARG A 95 49.041 26.313 -0.553 1.00 28.47 C ATOM 1336 CG ARG A 95 49.677 25.282 0.363 1.00 34.51 C ATOM 1337 CD ARG A 95 51.062 24.882 -0.118 1.00 41.70 C ATOM 1338 NE ARG A 95 51.774 24.101 0.890 1.00 49.96 N ATOM 1339 CZ ARG A 95 52.445 24.627 1.910 1.00 49.20 C ATOM 1340 NH1 ARG A 95 52.506 25.946 2.058 1.00 47.58 N ATOM 1341 NH2 ARG A 95 53.042 23.833 2.791 1.00 45.39 N ATOM 1342 HA ARG A 95 46.974 25.829 -0.239 1.00 0.00 H ATOM 1343 HB2 ARG A 95 49.004 25.904 -1.563 1.00 0.00 H ATOM 1344 HB3 ARG A 95 49.660 27.210 -0.548 1.00 0.00 H ATOM 1345 HG2 ARG A 95 49.758 25.702 1.366 1.00 0.00 H ATOM 1346 HG3 ARG A 95 49.043 24.396 0.392 1.00 0.00 H ATOM 1347 HD2 ARG A 95 51.635 25.783 -0.338 1.00 0.00 H ATOM 1348 HD3 ARG A 95 50.964 24.285 -1.025 1.00 0.00 H ATOM 1349 HE ARG A 95 51.755 23.065 0.804 1.00 0.00 H ATOM 1350 HH12 ARG A 95 53.031 26.356 2.856 1.00 0.00 H ATOM 1351 HH11 ARG A 95 52.028 26.569 1.375 1.00 0.00 H ATOM 1352 HH22 ARG A 95 53.567 24.244 3.589 1.00 0.00 H ATOM 1353 HH21 ARG A 95 52.985 22.800 2.683 1.00 0.00 H ATOM 1354 H ARG A 95 47.716 28.145 -1.738 1.00 0.00 H ATOM 1355 N LEU A 96 48.169 28.300 1.618 1.00 24.03 N ATOM 1356 CA LEU A 96 48.181 28.794 2.991 1.00 25.02 C ATOM 1357 C LEU A 96 46.757 28.905 3.526 1.00 24.07 C ATOM 1358 O LEU A 96 46.486 28.521 4.666 1.00 24.16 O ATOM 1359 CB LEU A 96 48.871 30.156 3.086 1.00 28.41 C ATOM 1360 CG LEU A 96 50.390 30.217 2.853 1.00 41.33 C ATOM 1361 CD1 LEU A 96 50.891 31.633 3.169 1.00 38.29 C ATOM 1362 CD2 LEU A 96 51.120 29.189 3.732 1.00 38.45 C ATOM 1363 HA LEU A 96 48.742 28.080 3.594 1.00 0.00 H ATOM 1364 HB2 LEU A 96 48.404 30.808 2.348 1.00 0.00 H ATOM 1365 HB3 LEU A 96 48.681 30.546 4.086 1.00 0.00 H ATOM 1366 HG LEU A 96 50.599 29.977 1.811 1.00 0.00 H ATOM 1367 HD21 LEU A 96 50.917 29.401 4.782 1.00 0.00 H ATOM 1368 HD22 LEU A 96 50.767 28.187 3.487 1.00 0.00 H ATOM 1369 HD23 LEU A 96 52.193 29.252 3.548 1.00 0.00 H ATOM 1370 HD11 LEU A 96 50.391 32.348 2.516 1.00 0.00 H ATOM 1371 HD12 LEU A 96 50.669 31.872 4.209 1.00 0.00 H ATOM 1372 HD13 LEU A 96 51.968 31.681 3.005 1.00 0.00 H ATOM 1373 H LEU A 96 48.601 28.868 0.861 1.00 0.00 H ATOM 1374 N ALA A 97 45.847 29.419 2.702 1.00 19.54 N ATOM 1375 CA ALA A 97 44.451 29.561 3.108 1.00 19.42 C ATOM 1376 C ALA A 97 43.827 28.219 3.499 1.00 18.17 C ATOM 1377 O ALA A 97 43.239 28.084 4.576 1.00 12.48 O ATOM 1378 CB ALA A 97 43.642 30.194 1.984 1.00 18.19 C ATOM 1379 HA ALA A 97 44.432 30.206 3.987 1.00 0.00 H ATOM 1380 HB1 ALA A 97 44.050 31.178 1.754 1.00 0.00 H ATOM 1381 HB2 ALA A 97 43.695 29.561 1.098 1.00 0.00 H ATOM 1382 HB3 ALA A 97 42.603 30.295 2.298 1.00 0.00 H ATOM 1383 H ALA A 97 46.135 29.725 1.751 1.00 0.00 H ATOM 1384 N ALA A 98 43.958 27.233 2.614 1.00 18.32 N ATOM 1385 CA ALA A 98 43.405 25.901 2.845 1.00 19.33 C ATOM 1386 C ALA A 98 43.890 25.328 4.168 1.00 22.42 C ATOM 1387 O ALA A 98 43.103 24.797 4.959 1.00 22.96 O ATOM 1388 CB ALA A 98 43.797 24.971 1.703 1.00 20.00 C ATOM 1389 HA ALA A 98 42.319 25.986 2.888 1.00 0.00 H ATOM 1390 HB1 ALA A 98 43.407 25.365 0.765 1.00 0.00 H ATOM 1391 HB2 ALA A 98 44.884 24.905 1.647 1.00 0.00 H ATOM 1392 HB3 ALA A 98 43.380 23.980 1.884 1.00 0.00 H ATOM 1393 H ALA A 98 44.471 27.417 1.728 1.00 0.00 H ATOM 1394 N ILE A 99 45.192 25.429 4.402 1.00 22.44 N ATOM 1395 CA ILE A 99 45.764 24.921 5.632 1.00 22.14 C ATOM 1396 C ILE A 99 45.189 25.698 6.809 1.00 21.81 C ATOM 1397 O ILE A 99 44.917 25.126 7.864 1.00 23.69 O ATOM 1398 CB ILE A 99 47.304 25.018 5.573 1.00 25.93 C ATOM 1399 CG1 ILE A 99 47.823 23.949 4.597 1.00 25.79 C ATOM 1400 CG2 ILE A 99 47.910 24.861 6.964 1.00 23.75 C ATOM 1401 CD1 ILE A 99 49.286 24.097 4.209 1.00 24.74 C ATOM 1402 HA ILE A 99 45.508 23.870 5.762 1.00 0.00 H ATOM 1403 HB ILE A 99 47.604 26.002 5.213 1.00 0.00 H ATOM 1404 HG12 ILE A 99 47.692 22.972 5.063 1.00 0.00 H ATOM 1405 HG13 ILE A 99 47.224 24.000 3.688 1.00 0.00 H ATOM 1406 HD11 ILE A 99 49.437 25.063 3.727 1.00 0.00 H ATOM 1407 HD12 ILE A 99 49.906 24.035 5.103 1.00 0.00 H ATOM 1408 HD13 ILE A 99 49.560 23.299 3.519 1.00 0.00 H ATOM 1409 HG21 ILE A 99 47.532 25.650 7.615 1.00 0.00 H ATOM 1410 HG22 ILE A 99 47.634 23.889 7.372 1.00 0.00 H ATOM 1411 HG23 ILE A 99 48.996 24.933 6.896 1.00 0.00 H ATOM 1412 H ILE A 99 45.809 25.878 3.695 1.00 0.00 H ATOM 1413 N CYS A 100 44.968 26.995 6.606 1.00 20.59 N ATOM 1414 CA CYS A 100 44.409 27.866 7.642 1.00 21.68 C ATOM 1415 C CYS A 100 42.984 27.413 7.962 1.00 21.05 C ATOM 1416 O CYS A 100 42.588 27.328 9.126 1.00 18.80 O ATOM 1417 CB CYS A 100 44.388 29.314 7.145 1.00 23.93 C ATOM 1418 SG CYS A 100 44.196 30.647 8.385 1.00 20.92 S ATOM 1419 HA CYS A 100 45.024 27.806 8.540 1.00 0.00 H ATOM 1420 HB2 CYS A 100 43.560 29.403 6.442 1.00 0.00 H ATOM 1421 HB3 CYS A 100 45.328 29.491 6.622 1.00 0.00 H ATOM 1422 H CYS A 100 45.201 27.404 5.679 1.00 0.00 H ATOM 1423 N PHE A 101 42.218 27.133 6.914 1.00 20.89 N ATOM 1424 CA PHE A 101 40.840 26.678 7.065 1.00 23.62 C ATOM 1425 C PHE A 101 40.764 25.425 7.930 1.00 24.39 C ATOM 1426 O PHE A 101 39.899 25.310 8.798 1.00 21.62 O ATOM 1427 CB PHE A 101 40.227 26.369 5.692 1.00 23.11 C ATOM 1428 CG PHE A 101 39.938 27.587 4.857 1.00 24.20 C ATOM 1429 CD1 PHE A 101 40.290 28.858 5.295 1.00 25.91 C ATOM 1430 CD2 PHE A 101 39.300 27.460 3.628 1.00 27.73 C ATOM 1431 CE1 PHE A 101 40.022 29.981 4.518 1.00 25.79 C ATOM 1432 CE2 PHE A 101 39.028 28.578 2.845 1.00 26.91 C ATOM 1433 CZ PHE A 101 39.386 29.841 3.294 1.00 24.71 C ATOM 1434 HA PHE A 101 40.282 27.479 7.550 1.00 0.00 H ATOM 1435 HB2 PHE A 101 40.922 25.734 5.142 1.00 0.00 H ATOM 1436 HB3 PHE A 101 39.292 25.831 5.848 1.00 0.00 H ATOM 1437 HD2 PHE A 101 39.009 26.471 3.273 1.00 0.00 H ATOM 1438 HE2 PHE A 101 38.534 28.461 1.880 1.00 0.00 H ATOM 1439 HZ PHE A 101 39.168 30.720 2.687 1.00 0.00 H ATOM 1440 HE1 PHE A 101 40.312 30.970 4.872 1.00 0.00 H ATOM 1441 HD1 PHE A 101 40.783 28.977 6.260 1.00 0.00 H ATOM 1442 H PHE A 101 42.612 27.241 5.958 1.00 0.00 H ATOM 1443 N ALA A 102 41.680 24.493 7.695 1.00 24.86 N ATOM 1444 CA ALA A 102 41.691 23.237 8.435 1.00 29.65 C ATOM 1445 C ALA A 102 41.934 23.387 9.928 1.00 30.51 C ATOM 1446 O ALA A 102 41.588 22.496 10.705 1.00 35.52 O ATOM 1447 CB ALA A 102 42.729 22.290 7.843 1.00 28.77 C ATOM 1448 HA ALA A 102 40.686 22.828 8.331 1.00 0.00 H ATOM 1449 HB1 ALA A 102 42.483 22.090 6.800 1.00 0.00 H ATOM 1450 HB2 ALA A 102 43.715 22.750 7.903 1.00 0.00 H ATOM 1451 HB3 ALA A 102 42.728 21.355 8.404 1.00 0.00 H ATOM 1452 H ALA A 102 42.404 24.662 6.968 1.00 0.00 H ATOM 1453 N GLY A 103 42.524 24.501 10.340 1.00 28.46 N ATOM 1454 CA GLY A 103 42.792 24.673 11.754 1.00 28.33 C ATOM 1455 C GLY A 103 41.922 25.675 12.483 1.00 30.08 C ATOM 1456 O GLY A 103 42.107 25.891 13.678 1.00 29.07 O ATOM 1457 HA3 GLY A 103 43.828 24.993 11.860 1.00 0.00 H ATOM 1458 HA2 GLY A 103 42.661 23.705 12.238 1.00 0.00 H ATOM 1459 H GLY A 103 42.790 25.240 9.659 1.00 0.00 H ATOM 1460 N ALA A 104 40.973 26.284 11.782 1.00 32.81 N ATOM 1461 CA ALA A 104 40.111 27.284 12.403 1.00 35.28 C ATOM 1462 C ALA A 104 38.713 26.776 12.734 1.00 38.34 C ATOM 1463 O ALA A 104 38.149 25.938 12.022 1.00 37.31 O ATOM 1464 CB ALA A 104 40.012 28.517 11.505 1.00 35.04 C ATOM 1465 HA ALA A 104 40.579 27.538 13.354 1.00 0.00 H ATOM 1466 HB1 ALA A 104 41.006 28.940 11.359 1.00 0.00 H ATOM 1467 HB2 ALA A 104 39.593 28.230 10.541 1.00 0.00 H ATOM 1468 HB3 ALA A 104 39.367 29.258 11.977 1.00 0.00 H ATOM 1469 H ALA A 104 40.843 26.045 10.778 1.00 0.00 H ATOM 1470 N PRO A 105 38.138 27.277 13.838 1.00 39.91 N ATOM 1471 CA PRO A 105 36.794 26.873 14.258 1.00 40.88 C ATOM 1472 C PRO A 105 35.778 27.357 13.224 1.00 39.55 C ATOM 1473 O PRO A 105 36.059 28.278 12.452 1.00 38.21 O ATOM 1474 CB PRO A 105 36.622 27.586 15.600 1.00 39.07 C ATOM 1475 CG PRO A 105 38.027 27.727 16.100 1.00 39.13 C ATOM 1476 CD PRO A 105 38.768 28.134 14.859 1.00 39.87 C ATOM 1477 HA PRO A 105 36.651 25.796 14.345 1.00 0.00 H ATOM 1478 HD3 PRO A 105 38.621 29.191 14.637 1.00 0.00 H ATOM 1479 HD2 PRO A 105 39.835 27.928 14.948 1.00 0.00 H ATOM 1480 HG3 PRO A 105 38.403 26.783 16.493 1.00 0.00 H ATOM 1481 HG2 PRO A 105 38.097 28.494 16.871 1.00 0.00 H ATOM 1482 HB2 PRO A 105 36.155 28.562 15.467 1.00 0.00 H ATOM 1483 HB3 PRO A 105 36.022 26.988 16.286 1.00 0.00 H ATOM 1484 N TYR A 106 34.606 26.737 13.202 1.00 34.69 N ATOM 1485 CA TYR A 106 33.584 27.156 12.264 1.00 34.43 C ATOM 1486 C TYR A 106 32.325 27.559 13.025 1.00 35.52 C ATOM 1487 O TYR A 106 31.726 26.744 13.723 1.00 37.69 O ATOM 1488 CB TYR A 106 33.284 26.029 11.268 1.00 28.21 C ATOM 1489 CG TYR A 106 32.374 26.443 10.132 1.00 25.74 C ATOM 1490 CD1 TYR A 106 31.005 26.614 10.334 1.00 27.63 C ATOM 1491 CD2 TYR A 106 32.887 26.692 8.861 1.00 25.71 C ATOM 1492 CE1 TYR A 106 30.168 27.023 9.298 1.00 31.12 C ATOM 1493 CE2 TYR A 106 32.059 27.105 7.815 1.00 27.67 C ATOM 1494 CZ TYR A 106 30.700 27.270 8.040 1.00 30.63 C ATOM 1495 OH TYR A 106 29.872 27.695 7.017 1.00 31.98 O ATOM 1496 HA TYR A 106 33.942 28.018 11.701 1.00 0.00 H ATOM 1497 HB3 TYR A 106 32.809 25.210 11.808 1.00 0.00 H ATOM 1498 HB2 TYR A 106 34.227 25.684 10.845 1.00 0.00 H ATOM 1499 HD2 TYR A 106 33.954 26.562 8.680 1.00 0.00 H ATOM 1500 HE2 TYR A 106 32.478 27.297 6.827 1.00 0.00 H ATOM 1501 HE1 TYR A 106 29.100 27.149 9.475 1.00 0.00 H ATOM 1502 HD1 TYR A 106 30.582 26.424 11.320 1.00 0.00 H ATOM 1503 HH TYR A 106 30.171 28.584 6.700 1.00 0.00 H ATOM 1504 H TYR A 106 34.421 25.951 13.857 1.00 0.00 H ATOM 1505 N ASN A 107 31.948 28.829 12.908 1.00 36.44 N ATOM 1506 CA ASN A 107 30.756 29.343 13.567 1.00 39.60 C ATOM 1507 C ASN A 107 29.668 29.480 12.518 1.00 41.18 C ATOM 1508 O ASN A 107 29.876 30.124 11.494 1.00 38.65 O ATOM 1509 CB ASN A 107 31.026 30.717 14.181 1.00 45.43 C ATOM 1510 CG ASN A 107 29.808 31.288 14.906 1.00 50.06 C ATOM 1511 OD1 ASN A 107 28.665 31.075 14.493 1.00 48.70 O ATOM 1512 ND2 ASN A 107 30.054 32.030 15.984 1.00 51.03 N ATOM 1513 HA ASN A 107 30.457 28.661 14.363 1.00 0.00 H ATOM 1514 HB2 ASN A 107 31.846 30.626 14.894 1.00 0.00 H ATOM 1515 HB3 ASN A 107 31.313 31.405 13.385 1.00 0.00 H ATOM 1516 HD22 ASN A 107 31.034 32.184 16.297 1.00 0.00 H ATOM 1517 HD21 ASN A 107 29.266 32.456 16.513 1.00 0.00 H ATOM 1518 H ASN A 107 32.522 29.474 12.328 1.00 0.00 H ATOM 1519 N ASP A 108 28.508 28.882 12.776 1.00 46.10 N ATOM 1520 CA ASP A 108 27.393 28.948 11.835 1.00 49.54 C ATOM 1521 C ASP A 108 26.726 30.322 11.814 1.00 47.30 C ATOM 1522 O ASP A 108 26.142 30.722 10.807 1.00 45.84 O ATOM 1523 CB ASP A 108 26.361 27.866 12.164 1.00 58.23 C ATOM 1524 CG ASP A 108 26.889 26.466 11.911 1.00 66.86 C ATOM 1525 OD1 ASP A 108 27.221 26.148 10.749 1.00 74.01 O ATOM 1526 OD2 ASP A 108 26.978 25.683 12.877 1.00 73.59 O ATOM 1527 HA ASP A 108 27.802 28.774 10.840 1.00 0.00 H ATOM 1528 HB2 ASP A 108 26.086 27.952 13.215 1.00 0.00 H ATOM 1529 HB3 ASP A 108 25.478 28.024 11.545 1.00 0.00 H ATOM 1530 H ASP A 108 28.393 28.357 13.666 1.00 0.00 H ATOM 1531 N ASP A 109 26.813 31.045 12.923 1.00 46.33 N ATOM 1532 CA ASP A 109 26.230 32.376 12.993 1.00 47.12 C ATOM 1533 C ASP A 109 26.939 33.315 12.024 1.00 46.88 C ATOM 1534 O ASP A 109 26.378 34.321 11.591 1.00 48.93 O ATOM 1535 CB ASP A 109 26.352 32.951 14.406 1.00 49.87 C ATOM 1536 CG ASP A 109 25.333 32.375 15.362 1.00 55.58 C ATOM 1537 OD1 ASP A 109 24.126 32.398 15.033 1.00 55.85 O ATOM 1538 OD2 ASP A 109 25.737 31.908 16.448 1.00 60.39 O ATOM 1539 HA ASP A 109 25.177 32.290 12.726 1.00 0.00 H ATOM 1540 HB2 ASP A 109 27.350 32.732 14.786 1.00 0.00 H ATOM 1541 HB3 ASP A 109 26.212 34.031 14.356 1.00 0.00 H ATOM 1542 H ASP A 109 27.304 30.655 13.753 1.00 0.00 H ATOM 1543 N ASN A 110 28.177 32.981 11.685 1.00 42.84 N ATOM 1544 CA ASN A 110 28.959 33.815 10.798 1.00 41.18 C ATOM 1545 C ASN A 110 28.860 33.445 9.327 1.00 42.58 C ATOM 1546 O ASN A 110 29.543 34.032 8.486 1.00 43.28 O ATOM 1547 CB ASN A 110 30.411 33.810 11.260 1.00 40.12 C ATOM 1548 CG ASN A 110 30.607 34.603 12.530 1.00 37.05 C ATOM 1549 OD1 ASN A 110 31.473 34.292 13.347 1.00 33.80 O ATOM 1550 ND2 ASN A 110 29.803 35.646 12.699 1.00 35.33 N ATOM 1551 HA ASN A 110 28.536 34.818 10.861 1.00 0.00 H ATOM 1552 HB2 ASN A 110 30.720 32.780 11.438 1.00 0.00 H ATOM 1553 HB3 ASN A 110 31.031 34.244 10.475 1.00 0.00 H ATOM 1554 HD22 ASN A 110 29.085 35.871 11.981 1.00 0.00 H ATOM 1555 HD21 ASN A 110 29.891 36.238 13.549 1.00 0.00 H ATOM 1556 H ASN A 110 28.592 32.106 12.063 1.00 0.00 H ATOM 1557 N TYR A 111 28.014 32.472 9.015 1.00 42.99 N ATOM 1558 CA TYR A 111 27.824 32.076 7.626 1.00 42.46 C ATOM 1559 C TYR A 111 26.785 33.033 7.039 1.00 41.73 C ATOM 1560 O TYR A 111 25.764 33.314 7.667 1.00 44.95 O ATOM 1561 CB TYR A 111 27.310 30.631 7.530 1.00 42.87 C ATOM 1562 CG TYR A 111 27.126 30.142 6.106 1.00 46.22 C ATOM 1563 CD1 TYR A 111 28.228 29.805 5.313 1.00 47.16 C ATOM 1564 CD2 TYR A 111 25.856 30.077 5.528 1.00 46.48 C ATOM 1565 CE1 TYR A 111 28.070 29.423 3.980 1.00 46.41 C ATOM 1566 CE2 TYR A 111 25.686 29.696 4.193 1.00 45.10 C ATOM 1567 CZ TYR A 111 26.797 29.374 3.427 1.00 49.20 C ATOM 1568 OH TYR A 111 26.639 29.023 2.105 1.00 51.25 O ATOM 1569 HA TYR A 111 28.768 32.122 7.084 1.00 0.00 H ATOM 1570 HB3 TYR A 111 26.349 30.573 8.041 1.00 0.00 H ATOM 1571 HB2 TYR A 111 28.025 29.977 8.029 1.00 0.00 H ATOM 1572 HD2 TYR A 111 24.981 30.328 6.128 1.00 0.00 H ATOM 1573 HE2 TYR A 111 24.688 29.652 3.758 1.00 0.00 H ATOM 1574 HE1 TYR A 111 28.940 29.165 3.377 1.00 0.00 H ATOM 1575 HD1 TYR A 111 29.228 29.841 5.744 1.00 0.00 H ATOM 1576 HH TYR A 111 27.525 28.826 1.709 1.00 0.00 H ATOM 1577 H TYR A 111 27.483 31.989 9.767 1.00 0.00 H ATOM 1578 N ASN A 112 27.063 33.548 5.849 1.00 39.20 N ATOM 1579 CA ASN A 112 26.156 34.459 5.165 1.00 39.27 C ATOM 1580 C ASN A 112 25.549 35.563 6.039 1.00 37.92 C ATOM 1581 O ASN A 112 24.329 35.651 6.183 1.00 34.44 O ATOM 1582 CB ASN A 112 25.026 33.660 4.512 1.00 41.05 C ATOM 1583 CG ASN A 112 24.033 34.546 3.788 1.00 43.65 C ATOM 1584 OD1 ASN A 112 22.907 34.135 3.507 1.00 44.13 O ATOM 1585 ND2 ASN A 112 24.447 35.769 3.478 1.00 43.07 N ATOM 1586 HA ASN A 112 26.772 34.974 4.427 1.00 0.00 H ATOM 1587 HB2 ASN A 112 25.459 32.962 3.796 1.00 0.00 H ATOM 1588 HB3 ASN A 112 24.498 33.103 5.286 1.00 0.00 H ATOM 1589 HD22 ASN A 112 25.407 36.074 3.735 1.00 0.00 H ATOM 1590 HD21 ASN A 112 23.811 36.422 2.978 1.00 0.00 H ATOM 1591 H ASN A 112 27.960 33.292 5.388 1.00 0.00 H ATOM 1592 N ILE A 113 26.393 36.403 6.629 1.00 37.85 N ATOM 1593 CA ILE A 113 25.888 37.504 7.449 1.00 37.18 C ATOM 1594 C ILE A 113 25.643 38.691 6.519 1.00 34.89 C ATOM 1595 O ILE A 113 26.195 38.739 5.420 1.00 35.66 O ATOM 1596 CB ILE A 113 26.898 37.928 8.548 1.00 37.63 C ATOM 1597 CG1 ILE A 113 28.210 38.373 7.905 1.00 35.87 C ATOM 1598 CG2 ILE A 113 27.121 36.785 9.535 1.00 34.88 C ATOM 1599 CD1 ILE A 113 29.253 38.808 8.905 1.00 38.58 C ATOM 1600 HA ILE A 113 24.977 37.180 7.952 1.00 0.00 H ATOM 1601 HB ILE A 113 26.489 38.771 9.105 1.00 0.00 H ATOM 1602 HG12 ILE A 113 28.611 37.540 7.327 1.00 0.00 H ATOM 1603 HG13 ILE A 113 28.001 39.209 7.238 1.00 0.00 H ATOM 1604 HD11 ILE A 113 28.871 39.649 9.484 1.00 0.00 H ATOM 1605 HD12 ILE A 113 29.482 37.978 9.574 1.00 0.00 H ATOM 1606 HD13 ILE A 113 30.157 39.110 8.377 1.00 0.00 H ATOM 1607 HG21 ILE A 113 26.173 36.522 10.005 1.00 0.00 H ATOM 1608 HG22 ILE A 113 27.516 35.919 9.003 1.00 0.00 H ATOM 1609 HG23 ILE A 113 27.832 37.100 10.299 1.00 0.00 H ATOM 1610 H ILE A 113 27.418 36.277 6.507 1.00 0.00 H ATOM 1611 N ASP A 114 24.853 39.613 6.953 1.00 35.34 N ATOM 1612 CA ASP A 114 24.646 40.783 6.130 1.00 37.40 C ATOM 1613 C ASP A 114 25.991 41.426 5.862 1.00 37.69 C ATOM 1614 O ASP A 114 26.747 41.768 6.762 1.00 38.46 O ATOM 1615 CB ASP A 114 23.645 41.750 6.801 1.00 41.16 C ATOM 1616 CG ASP A 114 22.896 42.647 5.831 1.00 45.22 C ATOM 1617 OD1 ASP A 114 23.541 43.550 5.251 1.00 45.52 O ATOM 1618 OD2 ASP A 114 21.674 42.463 5.640 1.00 48.63 O ATOM 1619 HA ASP A 114 24.203 40.504 5.174 1.00 0.00 H ATOM 1620 HB2 ASP A 114 22.915 41.157 7.352 1.00 0.00 H ATOM 1621 HB3 ASP A 114 24.196 42.383 7.496 1.00 0.00 H ATOM 1622 H ASP A 114 24.377 39.517 7.872 1.00 0.00 H ATOM 1623 N LEU A 115 26.260 41.595 4.606 1.00 38.11 N ATOM 1624 CA LEU A 115 27.497 42.235 4.224 1.00 34.62 C ATOM 1625 C LEU A 115 27.307 43.744 4.338 1.00 35.54 C ATOM 1626 O LEU A 115 28.081 44.438 5.019 1.00 31.59 O ATOM 1627 CB LEU A 115 27.875 41.858 2.793 1.00 40.50 C ATOM 1628 CG LEU A 115 29.204 41.153 2.537 1.00 45.27 C ATOM 1629 CD1 LEU A 115 29.939 41.817 1.370 1.00 46.17 C ATOM 1630 CD2 LEU A 115 30.053 41.141 3.798 1.00 48.59 C ATOM 1631 HA LEU A 115 28.303 41.906 4.880 1.00 0.00 H ATOM 1632 HB2 LEU A 115 27.089 41.203 2.417 1.00 0.00 H ATOM 1633 HB3 LEU A 115 27.886 42.780 2.212 1.00 0.00 H ATOM 1634 HG LEU A 115 29.008 40.116 2.263 1.00 0.00 H ATOM 1635 HD21 LEU A 115 30.250 42.166 4.111 1.00 0.00 H ATOM 1636 HD22 LEU A 115 29.519 40.614 4.589 1.00 0.00 H ATOM 1637 HD23 LEU A 115 30.996 40.634 3.595 1.00 0.00 H ATOM 1638 HD11 LEU A 115 29.323 41.756 0.473 1.00 0.00 H ATOM 1639 HD12 LEU A 115 30.130 42.863 1.610 1.00 0.00 H ATOM 1640 HD13 LEU A 115 30.885 41.304 1.199 1.00 0.00 H ATOM 1641 H LEU A 115 25.590 41.272 3.879 1.00 0.00 H ATOM 1642 N LYS A 116 26.273 44.246 3.674 1.00 36.19 N ATOM 1643 CA LYS A 116 25.995 45.677 3.648 1.00 38.98 C ATOM 1644 C LYS A 116 25.952 46.370 5.007 1.00 37.38 C ATOM 1645 O LYS A 116 26.391 47.510 5.124 1.00 40.15 O ATOM 1646 CB LYS A 116 24.675 45.951 2.909 1.00 46.59 C ATOM 1647 CG LYS A 116 24.722 45.712 1.396 1.00 52.01 C ATOM 1648 CD LYS A 116 23.388 46.062 0.729 1.00 55.94 C ATOM 1649 CE LYS A 116 23.467 45.985 -0.798 1.00 57.39 C ATOM 1650 NZ LYS A 116 22.167 46.337 -1.449 1.00 58.29 N ATOM 1651 HA LYS A 116 26.849 46.105 3.123 1.00 0.00 H ATOM 1652 HB2 LYS A 116 23.909 45.301 3.331 1.00 0.00 H ATOM 1653 HB3 LYS A 116 24.401 46.992 3.079 1.00 0.00 H ATOM 1654 HG2 LYS A 116 25.508 46.332 0.964 1.00 0.00 H ATOM 1655 HG3 LYS A 116 24.946 44.662 1.210 1.00 0.00 H ATOM 1656 HD2 LYS A 116 22.627 45.363 1.077 1.00 0.00 H ATOM 1657 HD3 LYS A 116 23.107 47.075 1.016 1.00 0.00 H ATOM 1658 HE2 LYS A 116 23.740 44.970 -1.085 1.00 0.00 H ATOM 1659 HE3 LYS A 116 24.233 46.678 -1.146 1.00 0.00 H ATOM 1660 HZ1 LYS A 116 21.430 45.676 -1.129 1.00 0.00 H ATOM 1661 HZ2 LYS A 116 21.901 47.308 -1.187 1.00 0.00 H ATOM 1662 HZ3 LYS A 116 22.269 46.271 -2.482 1.00 0.00 H ATOM 1663 H LYS A 116 25.643 43.600 3.157 1.00 0.00 H ATOM 1664 N ALA A 117 25.435 45.698 6.034 1.00 36.56 N ATOM 1665 CA ALA A 117 25.336 46.322 7.355 1.00 33.85 C ATOM 1666 C ALA A 117 26.433 45.970 8.363 1.00 32.98 C ATOM 1667 O ALA A 117 26.581 46.668 9.365 1.00 31.38 O ATOM 1668 CB ALA A 117 23.964 46.038 7.966 1.00 25.92 C ATOM 1669 HA ALA A 117 25.479 47.384 7.158 1.00 0.00 H ATOM 1670 HB1 ALA A 117 23.188 46.444 7.318 1.00 0.00 H ATOM 1671 HB2 ALA A 117 23.828 44.961 8.066 1.00 0.00 H ATOM 1672 HB3 ALA A 117 23.901 46.507 8.948 1.00 0.00 H ATOM 1673 H ALA A 117 25.099 44.723 5.897 1.00 0.00 H ATOM 1674 N ARG A 118 27.202 44.910 8.117 1.00 33.90 N ATOM 1675 CA ARG A 118 28.268 44.540 9.053 1.00 35.59 C ATOM 1676 C ARG A 118 29.677 44.653 8.479 1.00 37.44 C ATOM 1677 O ARG A 118 30.661 44.329 9.138 1.00 34.55 O ATOM 1678 CB ARG A 118 28.012 43.141 9.615 1.00 31.25 C ATOM 1679 CG ARG A 118 26.850 43.133 10.594 1.00 31.28 C ATOM 1680 CD ARG A 118 26.238 41.750 10.789 1.00 34.67 C ATOM 1681 NE ARG A 118 26.872 40.967 11.850 1.00 39.10 N ATOM 1682 CZ ARG A 118 26.429 39.785 12.271 1.00 36.19 C ATOM 1683 NH1 ARG A 118 25.350 39.250 11.721 1.00 41.43 N ATOM 1684 NH2 ARG A 118 27.063 39.134 13.238 1.00 37.00 N ATOM 1685 HA ARG A 118 28.232 45.273 9.859 1.00 0.00 H ATOM 1686 HB2 ARG A 118 27.785 42.465 8.791 1.00 0.00 H ATOM 1687 HB3 ARG A 118 28.910 42.797 10.129 1.00 0.00 H ATOM 1688 HG2 ARG A 118 27.207 43.493 11.559 1.00 0.00 H ATOM 1689 HG3 ARG A 118 26.077 43.805 10.220 1.00 0.00 H ATOM 1690 HD2 ARG A 118 26.329 41.199 9.853 1.00 0.00 H ATOM 1691 HD3 ARG A 118 25.183 41.872 11.035 1.00 0.00 H ATOM 1692 HE ARG A 118 27.722 41.359 12.303 1.00 0.00 H ATOM 1693 HH12 ARG A 118 25.003 38.326 12.049 1.00 0.00 H ATOM 1694 HH11 ARG A 118 24.850 39.754 10.961 1.00 0.00 H ATOM 1695 HH22 ARG A 118 26.710 38.211 13.561 1.00 0.00 H ATOM 1696 HH21 ARG A 118 27.913 39.547 13.673 1.00 0.00 H ATOM 1697 H ARG A 118 27.046 44.344 7.259 1.00 0.00 H ATOM 1698 N CYS A 119 29.773 45.133 7.243 1.00 43.97 N ATOM 1699 CA CYS A 119 30.949 45.376 6.448 1.00 53.78 C ATOM 1700 C CYS A 119 30.508 46.470 5.510 1.00 65.30 C ATOM 1701 O CYS A 119 29.490 46.276 4.827 1.00 69.92 O ATOM 1702 CB CYS A 119 31.415 44.103 5.708 1.00 47.85 C ATOM 1703 SG CYS A 119 31.144 42.548 6.619 1.00 39.92 S ATOM 1704 HA CYS A 119 31.818 45.663 7.040 1.00 0.00 H ATOM 1705 HB2 CYS A 119 32.482 44.198 5.508 1.00 0.00 H ATOM 1706 HB3 CYS A 119 30.874 44.042 4.764 1.00 0.00 H ATOM 1707 H CYS A 119 28.869 45.367 6.784 1.00 0.00 H ATOM 1708 N ASN A 120 31.185 47.613 5.431 1.00 71.94 N ATOM 1709 CA ASN A 120 30.652 48.641 4.560 1.00 79.16 C ATOM 1710 C ASN A 120 30.597 48.181 3.104 1.00 81.33 C ATOM 1711 O ASN A 120 29.532 48.062 2.512 1.00 83.07 O ATOM 1712 CB ASN A 120 31.459 49.939 4.726 1.00 85.26 C ATOM 1713 CG ASN A 120 30.575 51.189 4.892 1.00 91.60 C ATOM 1714 OD1 ASN A 120 31.082 52.312 4.856 1.00 94.22 O ATOM 1715 ND2 ASN A 120 29.274 50.999 5.059 1.00 92.25 N ATOM 1716 HA ASN A 120 29.621 48.841 4.853 1.00 0.00 H ATOM 1717 OXT ASN A 120 31.694 48.244 2.485 1.00 83.10 O ATOM 1718 HB2 ASN A 120 32.092 49.843 5.608 1.00 0.00 H ATOM 1719 HB3 ASN A 120 32.085 50.073 3.844 1.00 0.00 H ATOM 1720 HD22 ASN A 120 28.888 50.033 5.083 1.00 0.00 H ATOM 1721 HD21 ASN A 120 28.639 51.815 5.166 1.00 0.00 H ATOM 1722 H ASN A 120 32.061 47.762 5.972 1.00 0.00 H TER 1723 ASN A 120 HETATM 1724 O HOH 1 41.932 23.870 -13.618 1.00 46.89 O HETATM 1725 O HOH 2 43.756 30.388 -7.419 1.00 9.96 O HETATM 1726 O HOH 3 40.451 39.472 -6.108 1.00 30.78 O HETATM 1727 O HOH 4 28.798 38.125 2.856 1.00 57.44 O HETATM 1728 O HOH 5 38.564 17.835 7.545 1.00 29.20 O HETATM 1729 O HOH 6 37.284 41.517 17.273 1.00 12.88 O HETATM 1730 O HOH 7 47.846 41.144 5.576 1.00 20.16 O HETATM 1731 O HOH 8 42.756 31.029 13.895 1.00 38.85 O HETATM 1732 O HOH 9 44.262 33.343 11.811 1.00 29.22 O HETATM 1733 O HOH 10 52.549 37.377 -2.799 1.00 33.79 O HETATM 1734 O HOH 11 21.295 45.180 4.537 1.00 25.02 O HETATM 1735 O HOH 12 54.619 41.212 -4.273 1.00 51.21 O HETATM 1736 O HOH 13 46.470 45.340 -6.578 1.00 35.54 O HETATM 1737 O HOH 14 25.849 26.114 5.021 1.00 38.41 O HETATM 1738 O HOH 15 51.130 16.325 -2.467 1.00 34.46 O HETATM 1739 O HOH 16 52.991 28.974 -15.298 1.00 41.12 O HETATM 1740 O HOH 17 57.398 19.703 -7.278 1.00 48.47 O HETATM 1741 O HOH 18 53.021 15.464 -8.318 1.00 55.12 O HETATM 1742 O HOH 19 49.193 19.748 3.543 1.00 34.24 O HETATM 1743 O HOH 20 52.808 34.714 -1.271 1.00 25.71 O HETATM 1744 O HOH 21 57.248 33.569 -5.967 1.00 32.70 O HETATM 1745 O HOH 22 59.369 31.937 -10.016 1.00 40.11 O HETATM 1746 O HOH 23 53.016 33.972 4.550 1.00 86.97 O HETATM 1747 O HOH 24 37.288 25.514 9.604 1.00 31.67 O HETATM 1748 O HOH 25 41.077 19.444 9.598 1.00 53.76 O HETATM 1749 O HOH 26 34.815 23.328 13.535 1.00 38.33 O HETATM 1750 O HOH 27 26.872 25.565 7.375 1.00 44.09 O HETATM 1751 O HOH 28 45.231 15.725 5.367 1.00 49.17 O HETATM 1752 O HOH 29 42.863 14.986 6.867 1.00 35.25 O HETATM 1753 O HOH 30 30.654 16.731 4.557 1.00 60.68 O HETATM 1754 O HOH 31 26.859 36.195 13.115 1.00 48.52 O HETATM 1755 O HOH 32 31.433 36.642 2.442 1.00 49.63 O HETATM 1756 O HOH 33 28.621 22.518 -1.625 1.00 59.65 O HETATM 1757 O HOH 34 29.389 20.255 6.071 1.00 48.94 O HETATM 1758 O HOH 35 33.890 44.441 10.114 1.00 56.02 O HETATM 1759 O HOH 36 48.268 12.976 -8.013 1.00 41.59 O HETATM 1760 O HOH 37 52.448 25.186 -14.127 1.00 42.39 O HETATM 1761 O HOH 38 52.875 33.914 1.236 1.00 34.13 O HETATM 1762 O HOH 39 28.399 37.977 -5.857 1.00 50.91 O HETATM 1763 O HOH 40 29.076 24.069 12.273 1.00 61.09 O HETATM 1764 O HOH 41 24.806 35.345 -1.637 1.00 72.20 O HETATM 1765 O HOH 42 34.828 24.164 16.754 1.00 36.58 O HETATM 1766 O HOH 43 20.392 44.285 1.490 1.00 56.06 O HETATM 1767 O HOH 44 38.463 41.564 -5.483 1.00 58.79 O HETATM 1768 O HOH 45 25.599 23.317 11.467 1.00 38.15 O HETATM 1769 O HOH 46 27.292 20.981 10.738 1.00 76.57 O HETATM 1770 O HOH 47 39.182 43.976 16.752 1.00 50.71 O HETATM 1771 O HOH 48 58.200 41.412 -0.233 1.00 71.10 O HETATM 1772 O HOH 49 55.531 40.005 0.381 1.00 40.31 O HETATM 1773 O HOH 50 35.350 38.261 -4.029 1.00 60.13 O HETATM 1774 O HOH 51 27.793 35.663 -7.302 1.00 34.05 O HETATM 1775 O HOH 52 58.549 34.198 -8.019 1.00 50.24 O HETATM 1776 O HOH 53 33.507 47.931 0.913 1.00 39.58 O HETATM 1777 O HOH 54 34.607 27.292 -12.499 1.00 53.42 O HETATM 1778 O HOH 55 27.326 26.587 -3.818 1.00 39.86 O HETATM 1779 O HOH 56 29.653 24.720 -9.843 1.00 70.16 O HETATM 1780 O HOH 57 32.928 26.878 -8.089 1.00 76.36 O HETATM 1781 O HOH 58 29.353 28.513 -5.784 1.00 53.43 O HETATM 1782 O HOH 59 36.948 31.111 0.456 1.00 42.28 O HETATM 1783 O HOH 60 35.135 26.623 -9.434 1.00 49.65 O HETATM 1784 N LEU A 61 29.945 27.424 -11.158 1.00 0.24 N HETATM 1785 CA LEU A 61 29.440 28.761 -11.500 1.00 0.07 C HETATM 1786 C LEU A 61 30.269 29.871 -10.850 1.00 0.23 C HETATM 1787 O LEU A 61 30.694 30.805 -11.521 1.00 -0.39 O HETATM 1788 N LEU A 61 30.517 29.794 -9.511 1.00 -0.26 N HETATM 1789 CA LEU A 61 31.277 30.901 -8.852 1.00 0.13 C HETATM 1790 C LEU A 61 32.029 30.696 -7.481 1.00 0.20 C HETATM 1791 O LEU A 61 32.014 29.638 -6.854 1.00 -0.39 O HETATM 1792 N LEU A 61 32.680 31.869 -7.101 1.00 -0.26 N HETATM 1793 CA LEU A 61 33.635 32.319 -6.035 1.00 0.13 C HETATM 1794 C LEU A 61 33.548 32.090 -4.536 1.00 0.20 C HETATM 1795 O LEU A 61 32.606 32.515 -3.847 1.00 -0.39 O HETATM 1796 N LEU A 61 34.598 31.388 -4.073 1.00 -0.26 N HETATM 1797 CA LEU A 61 34.820 31.234 -2.640 1.00 0.14 C HETATM 1798 C LEU A 61 35.493 32.516 -2.297 1.00 0.21 C HETATM 1799 O LEU A 61 34.943 33.585 -2.524 1.00 -0.39 O HETATM 1800 N LEU A 61 36.656 32.421 -1.770 1.00 -0.27 N HETATM 1801 CA LEU A 61 37.328 33.616 -1.451 1.00 0.12 C HETATM 1802 C LEU A 61 38.433 33.924 -2.454 1.00 0.06 C HETATM 1803 O LEU A 61 38.176 34.381 -3.572 1.00 -0.57 O HETATM 1804 OXT LEU A 61 39.593 33.667 -2.125 1.00 -0.57 O HETATM 1805 CB LEU A 61 37.864 33.505 -0.033 1.00 0.08 C HETATM 1806 OG LEU A 61 38.667 34.627 0.302 1.00 -0.39 O HETATM 1807 H43 LEU A 61 39.402 34.679 -0.297 1.00 0.21 H HETATM 1808 H41 LEU A 61 38.471 32.592 0.051 1.00 0.06 H HETATM 1809 H42 LEU A 61 37.017 33.448 0.667 1.00 0.06 H HETATM 1810 H40 LEU A 61 36.603 34.443 -1.485 1.00 0.07 H HETATM 1811 H39 LEU A 61 37.072 31.529 -1.591 1.00 0.19 H HETATM 1812 CB LEU A 61 35.715 30.047 -2.275 1.00 0.02 C HETATM 1813 CG LEU A 61 35.571 29.017 -3.324 1.00 -0.05 C HETATM 1814 CD1 LEU A 61 35.985 29.343 -4.595 1.00 -0.07 C HETATM 1815 CE1 LEU A 61 35.826 28.459 -5.623 1.00 -0.04 C HETATM 1816 CZ LEU A 61 35.232 27.243 -5.377 1.00 0.08 C HETATM 1817 CE2 LEU A 61 34.822 26.902 -4.098 1.00 -0.04 C HETATM 1818 CD2 LEU A 61 35.001 27.779 -3.054 1.00 -0.07 C HETATM 1819 H35 LEU A 61 34.705 27.511 -2.046 1.00 0.05 H HETATM 1820 H37 LEU A 61 34.358 25.939 -3.920 1.00 0.05 H HETATM 1821 OH LEU A 61 35.034 26.353 -6.403 1.00 -0.34 O HETATM 1822 H38 LEU A 61 35.364 26.726 -7.212 1.00 0.25 H HETATM 1823 H36 LEU A 61 36.164 28.712 -6.621 1.00 0.05 H HETATM 1824 H34 LEU A 61 36.441 30.309 -4.781 1.00 0.05 H HETATM 1825 H32 LEU A 61 35.407 29.634 -1.303 1.00 0.05 H HETATM 1826 H33 LEU A 61 36.763 30.375 -2.218 1.00 0.05 H HETATM 1827 H31 LEU A 61 33.861 31.133 -2.110 1.00 0.08 H HETATM 1828 H30 LEU A 61 35.234 30.967 -4.719 1.00 0.19 H HETATM 1829 CB LEU A 61 33.764 33.869 -6.106 1.00 -0.00 C HETATM 1830 CG1 LEU A 61 33.805 34.333 -7.548 1.00 -0.05 C HETATM 1831 CD1 LEU A 61 32.462 34.303 -8.228 1.00 -0.06 C HETATM 1832 H27 LEU A 61 32.569 34.651 -9.266 1.00 0.02 H HETATM 1833 H28 LEU A 61 31.764 34.962 -7.690 1.00 0.02 H HETATM 1834 H29 LEU A 61 32.072 33.274 -8.225 1.00 0.02 H HETATM 1835 H22 LEU A 61 34.492 33.678 -8.105 1.00 0.03 H HETATM 1836 H23 LEU A 61 34.184 35.366 -7.571 1.00 0.03 H HETATM 1837 CG2 LEU A 61 35.014 34.336 -5.371 1.00 -0.06 C HETATM 1838 H24 LEU A 61 34.974 33.994 -4.326 1.00 0.02 H HETATM 1839 H25 LEU A 61 35.065 35.434 -5.396 1.00 0.02 H HETATM 1840 H26 LEU A 61 35.905 33.916 -5.860 1.00 0.02 H HETATM 1841 H21 LEU A 61 32.884 34.315 -5.619 1.00 0.03 H HETATM 1842 H20 LEU A 61 34.591 31.866 -6.335 1.00 0.08 H HETATM 1843 H19 LEU A 61 32.443 32.624 -7.712 1.00 0.19 H HETATM 1844 CB LEU A 61 30.317 32.074 -8.706 1.00 -0.02 C HETATM 1845 H16 LEU A 61 30.837 32.915 -8.223 1.00 0.03 H HETATM 1846 H17 LEU A 61 29.459 31.771 -8.089 1.00 0.03 H HETATM 1847 H18 LEU A 61 29.963 32.384 -9.700 1.00 0.03 H HETATM 1848 H15 LEU A 61 32.060 31.186 -9.570 1.00 0.08 H HETATM 1849 H14 LEU A 61 30.196 29.011 -8.979 1.00 0.19 H HETATM 1850 CB LEU A 61 27.957 28.904 -11.079 1.00 0.01 C HETATM 1851 CG LEU A 61 27.118 30.017 -11.730 1.00 -0.04 C HETATM 1852 CD1 LEU A 61 25.829 29.451 -12.300 1.00 -0.06 C HETATM 1853 H8 LEU A 61 25.245 30.261 -12.760 1.00 0.02 H HETATM 1854 H9 LEU A 61 25.242 28.989 -11.492 1.00 0.02 H HETATM 1855 H10 LEU A 61 26.066 28.693 -13.061 1.00 0.02 H HETATM 1856 CD2 LEU A 61 26.839 31.124 -10.716 1.00 -0.06 C HETATM 1857 H11 LEU A 61 27.791 31.511 -10.324 1.00 0.02 H HETATM 1858 H12 LEU A 61 26.239 30.720 -9.888 1.00 0.02 H HETATM 1859 H13 LEU A 61 26.286 31.939 -11.206 1.00 0.02 H HETATM 1860 H7 LEU A 61 27.698 30.448 -12.559 1.00 0.03 H HETATM 1861 H5 LEU A 61 27.942 29.078 -9.993 1.00 0.03 H HETATM 1862 H6 LEU A 61 27.461 27.948 -11.304 1.00 0.03 H HETATM 1863 H4 LEU A 61 29.505 28.880 -12.592 1.00 0.11 H HETATM 1864 H1 LEU A 61 29.373 26.724 -11.605 1.00 0.20 H HETATM 1865 H2 LEU A 61 29.911 27.298 -10.159 1.00 0.20 H HETATM 1866 H3 LEU A 61 30.897 27.333 -11.476 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 188 187 1051 CONECT 404 403 1703 CONECT 435 434 639 CONECT 629 628 1418 CONECT 639 435 638 CONECT 722 721 1314 CONECT 858 857 1235 CONECT 1051 188 1050 CONECT 1146 1145 1292 CONECT 1235 858 1234 CONECT 1292 1146 1291 CONECT 1314 722 1313 CONECT 1418 629 1417 CONECT 1703 404 1702 CONECT 1784 1785 1864 1865 1866 CONECT 1785 1784 1786 1850 1863 CONECT 1786 1785 1787 1788 CONECT 1787 1786 CONECT 1788 1786 1789 1849 CONECT 1789 1788 1790 1844 1848 CONECT 1790 1789 1791 1792 CONECT 1791 1790 CONECT 1792 1790 1793 1843 CONECT 1793 1792 1794 1829 1842 CONECT 1794 1793 1795 1796 CONECT 1795 1794 CONECT 1796 1794 1797 1828 CONECT 1797 1796 1798 1812 1827 CONECT 1798 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 1801 1811 CONECT 1801 1800 1802 1805 1810 CONECT 1802 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1801 1806 1808 1809 CONECT 1806 1805 1807 CONECT 1807 1806 CONECT 1808 1805 CONECT 1809 1805 CONECT 1810 1801 CONECT 1811 1800 CONECT 1812 1797 1813 1825 1826 CONECT 1813 1812 1814 1818 CONECT 1814 1813 1815 1824 CONECT 1815 1814 1816 1823 CONECT 1816 1815 1817 1821 CONECT 1817 1816 1818 1820 CONECT 1818 1813 1817 1819 CONECT 1819 1818 CONECT 1820 1817 CONECT 1821 1816 1822 CONECT 1822 1821 CONECT 1823 1815 CONECT 1824 1814 CONECT 1825 1812 CONECT 1826 1812 CONECT 1827 1797 CONECT 1828 1796 CONECT 1829 1793 1830 1837 1841 CONECT 1830 1829 1831 1835 1836 CONECT 1831 1830 1832 1833 1834 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1831 CONECT 1835 1830 CONECT 1836 1830 CONECT 1837 1829 1838 1839 1840 CONECT 1838 1837 CONECT 1839 1837 CONECT 1840 1837 CONECT 1841 1829 CONECT 1842 1793 CONECT 1843 1792 CONECT 1844 1789 1845 1846 1847 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1844 CONECT 1848 1789 CONECT 1849 1788 CONECT 1850 1785 1851 1861 1862 CONECT 1851 1850 1852 1856 1860 CONECT 1852 1851 1853 1854 1855 CONECT 1853 1852 CONECT 1854 1852 CONECT 1855 1852 CONECT 1856 1851 1857 1858 1859 CONECT 1857 1856 CONECT 1858 1856 CONECT 1859 1856 CONECT 1860 1851 CONECT 1861 1850 CONECT 1862 1850 CONECT 1863 1785 CONECT 1864 1784 CONECT 1865 1784 CONECT 1866 1784 MASTER 0 0 0 0 0 0 0 0 1865 1 101 10 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
119aa, >1MF4_1|Chain... *
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1td7
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119aa, >1TD7_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
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RCSB PDB
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PDBbind
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5-mer
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RCSB PDB
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1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1zm6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phospholipase a2 isoform 3
Ligand Name
5-mer
EC.Number
E.C.3.1.1.4
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=45uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
J.Drug Target. v13 pp. 367-74, 2005
Ligand Properties
Formula
C
2
7
H
4
4
N
5
O
8
Molecular Weight
566.667
Exact Mass
566.319
No. of atoms
84
No. of bonds
84
Polar Surface Area
221.8
LOGP Value
-0.30 (
Computed with XLOGP3
)
0.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C)C
InChI String
InChI=1S/C27H43N5O8/c1-6-15(4)22(32-23(35)16(5)29-24(36)19(28)11-14(2)3)26(38)30-20(12-17-7-9-18(34)10-8-17)25(37)31-21(13-33)27(39)40/h7-10,14-16,19-22,33-34H,6,11-13,28H2,1-5H3,(H,29,36)(H,30,38)(H,31,37)(H,32,35)(H,39,40)/p+1/t15-,16-,19-,20-,21-,22-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P60045
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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