Browse entries in the PDBbind-CN Database
HEADER 2D1X_COMPLEX COMPND 2D1X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 ASN ASP LEU GLY ILE THR ALA VAL ALA LEU TYR ASP TYR SEQRES 2 A 60 GLN ALA ALA GLY ASP ASP GLU ILE SER PHE ASP PRO ASP SEQRES 3 A 60 ASP ILE ILE THR ASN ILE GLU MET ILE ASP ASP GLY TRP SEQRES 4 A 60 TRP ARG GLY VAL CYS LYS GLY ARG TYR GLY LEU PHE PRO SEQRES 5 A 60 ALA ASN TYR VAL GLU LEU ARG GLN SEQRES 1 B 59 ASP LEU GLY ILE THR ALA VAL ALA LEU TYR ASP TYR GLN SEQRES 2 B 59 ALA ALA GLY ASP ASP GLU ILE SER PHE ASP PRO ASP ASP SEQRES 3 B 59 ILE ILE THR ASN ILE GLU MET ILE ASP ASP GLY TRP TRP SEQRES 4 B 59 ARG GLY VAL CYS LYS GLY ARG TYR GLY LEU PHE PRO ALA SEQRES 5 B 59 ASN TYR VAL GLU LEU ARG GLN HET LYS A 234 141 ATOM 1 N ASN A 2 12.507 34.468 15.899 1.00 60.40 N ATOM 2 CA ASN A 2 13.444 34.918 14.832 1.00 59.52 C ATOM 3 C ASN A 2 14.524 35.838 15.400 1.00 57.72 C ATOM 4 O ASN A 2 14.224 36.778 16.138 1.00 58.70 O ATOM 5 CB ASN A 2 12.661 35.644 13.741 1.00 62.03 C ATOM 6 CG ASN A 2 11.475 34.839 13.248 1.00 65.17 C ATOM 7 OD1 ASN A 2 11.630 33.715 12.770 1.00 65.27 O ATOM 8 ND2 ASN A 2 10.276 35.408 13.377 1.00 67.29 N ATOM 9 HA ASN A 2 13.936 34.042 14.410 1.00 0.00 H ATOM 10 HB2 ASN A 2 12.300 36.591 14.141 1.00 0.00 H ATOM 11 HB3 ASN A 2 13.328 35.836 12.900 1.00 0.00 H ATOM 12 HD22 ASN A 2 10.194 36.360 13.787 1.00 0.00 H ATOM 13 HD21 ASN A 2 9.423 34.900 13.068 1.00 0.00 H ATOM 14 HN3 ASN A 2 12.047 35.297 16.327 1.00 0.00 H ATOM 15 HN2 ASN A 2 13.037 33.949 16.628 1.00 0.00 H ATOM 16 HN1 ASN A 2 11.785 33.845 15.484 1.00 0.00 H ATOM 17 N ASP A 3 15.779 35.566 15.051 1.00 55.24 N ATOM 18 CA ASP A 3 16.903 36.361 15.542 1.00 52.44 C ATOM 19 C ASP A 3 16.691 37.855 15.335 1.00 48.71 C ATOM 20 O ASP A 3 17.100 38.664 16.169 1.00 48.21 O ATOM 21 CB ASP A 3 18.210 35.945 14.856 1.00 55.01 C ATOM 22 CG ASP A 3 18.610 34.505 15.154 1.00 57.38 C ATOM 23 OD1 ASP A 3 18.016 33.574 14.561 1.00 57.41 O ATOM 24 OD2 ASP A 3 19.526 34.308 15.984 1.00 59.02 O ATOM 25 HA ASP A 3 16.968 36.168 16.613 1.00 0.00 H ATOM 26 HB2 ASP A 3 18.087 36.055 13.779 1.00 0.00 H ATOM 27 HB3 ASP A 3 19.007 36.605 15.199 1.00 0.00 H ATOM 28 H ASP A 3 15.965 34.767 14.412 1.00 0.00 H ATOM 29 N LEU A 4 16.063 38.221 14.219 1.00 43.92 N ATOM 30 CA LEU A 4 15.812 39.629 13.930 1.00 39.14 C ATOM 31 C LEU A 4 14.469 40.094 14.492 1.00 37.99 C ATOM 32 O LEU A 4 14.211 41.295 14.565 1.00 37.27 O ATOM 33 CB LEU A 4 15.864 39.885 12.418 1.00 37.74 C ATOM 34 CG LEU A 4 17.171 39.552 11.673 1.00 35.20 C ATOM 35 CD1 LEU A 4 17.066 40.055 10.234 1.00 31.71 C ATOM 36 CD2 LEU A 4 18.365 40.186 12.370 1.00 31.70 C ATOM 37 HA LEU A 4 16.597 40.205 14.420 1.00 0.00 H ATOM 38 HB2 LEU A 4 15.070 39.294 11.961 1.00 0.00 H ATOM 39 HB3 LEU A 4 15.662 40.945 12.261 1.00 0.00 H ATOM 40 HG LEU A 4 17.319 38.472 11.673 1.00 0.00 H ATOM 41 HD21 LEU A 4 18.238 41.268 12.393 1.00 0.00 H ATOM 42 HD22 LEU A 4 18.433 39.805 13.389 1.00 0.00 H ATOM 43 HD23 LEU A 4 19.276 39.937 11.826 1.00 0.00 H ATOM 44 HD11 LEU A 4 16.226 39.566 9.740 1.00 0.00 H ATOM 45 HD12 LEU A 4 16.909 41.134 10.238 1.00 0.00 H ATOM 46 HD13 LEU A 4 17.988 39.822 9.701 1.00 0.00 H ATOM 47 H LEU A 4 15.748 37.494 13.545 1.00 0.00 H ATOM 48 N GLY A 5 13.620 39.143 14.885 1.00 34.73 N ATOM 49 CA GLY A 5 12.321 39.486 15.438 1.00 32.07 C ATOM 50 C GLY A 5 11.504 40.382 14.526 1.00 31.53 C ATOM 51 O GLY A 5 11.508 40.210 13.305 1.00 32.40 O ATOM 52 HA3 GLY A 5 12.472 40.001 16.386 1.00 0.00 H ATOM 53 HA2 GLY A 5 11.763 38.566 15.611 1.00 0.00 H ATOM 54 H GLY A 5 13.891 38.143 14.794 1.00 0.00 H ATOM 55 N ILE A 6 10.790 41.339 15.105 1.00 29.62 N ATOM 56 CA ILE A 6 9.981 42.249 14.300 1.00 29.42 C ATOM 57 C ILE A 6 10.898 43.275 13.634 1.00 30.31 C ATOM 58 O ILE A 6 11.663 43.965 14.317 1.00 30.19 O ATOM 59 CB ILE A 6 8.944 42.991 15.164 1.00 30.48 C ATOM 60 CG1 ILE A 6 7.995 41.978 15.817 1.00 30.41 C ATOM 61 CG2 ILE A 6 8.182 44.009 14.310 1.00 26.38 C ATOM 62 CD1 ILE A 6 7.016 42.604 16.801 1.00 32.23 C ATOM 63 HA ILE A 6 9.449 41.663 13.551 1.00 0.00 H ATOM 64 HB ILE A 6 9.452 43.538 15.958 1.00 0.00 H ATOM 65 HG12 ILE A 6 7.425 41.484 15.031 1.00 0.00 H ATOM 66 HG13 ILE A 6 8.593 41.239 16.349 1.00 0.00 H ATOM 67 HD11 ILE A 6 7.571 43.094 17.602 1.00 0.00 H ATOM 68 HD12 ILE A 6 6.401 43.339 16.282 1.00 0.00 H ATOM 69 HD13 ILE A 6 6.378 41.826 17.222 1.00 0.00 H ATOM 70 HG21 ILE A 6 8.885 44.731 13.894 1.00 0.00 H ATOM 71 HG22 ILE A 6 7.669 43.490 13.500 1.00 0.00 H ATOM 72 HG23 ILE A 6 7.452 44.528 14.931 1.00 0.00 H ATOM 73 H ILE A 6 10.807 41.441 16.140 1.00 0.00 H ATOM 74 N THR A 7 10.816 43.372 12.308 1.00 28.65 N ATOM 75 CA THR A 7 11.653 44.299 11.552 1.00 29.23 C ATOM 76 C THR A 7 10.844 45.366 10.821 1.00 28.96 C ATOM 77 O THR A 7 9.643 45.213 10.591 1.00 27.90 O ATOM 78 CB THR A 7 12.503 43.551 10.486 1.00 31.04 C ATOM 79 OG1 THR A 7 11.627 42.874 9.576 1.00 30.96 O ATOM 80 CG2 THR A 7 13.438 42.534 11.145 1.00 30.09 C ATOM 81 HA THR A 7 12.292 44.777 12.294 1.00 0.00 H ATOM 82 HB THR A 7 13.111 44.280 9.951 1.00 0.00 H ATOM 83 HG1 THR A 7 11.041 43.536 9.130 1.00 0.00 H ATOM 84 HG23 THR A 7 14.104 43.050 11.837 1.00 0.00 H ATOM 85 HG21 THR A 7 12.846 41.798 11.689 1.00 0.00 H ATOM 86 HG22 THR A 7 14.027 42.033 10.377 1.00 0.00 H ATOM 87 H THR A 7 10.138 42.771 11.798 1.00 0.00 H ATOM 88 N ALA A 8 11.526 46.441 10.438 1.00 28.38 N ATOM 89 CA ALA A 8 10.892 47.539 9.720 1.00 27.31 C ATOM 90 C ALA A 8 11.934 48.303 8.924 1.00 27.02 C ATOM 91 O ALA A 8 13.139 48.156 9.153 1.00 26.43 O ATOM 92 CB ALA A 8 10.201 48.483 10.708 1.00 26.30 C ATOM 93 HA ALA A 8 10.146 47.131 9.038 1.00 0.00 H ATOM 94 HB1 ALA A 8 9.442 47.933 11.264 1.00 0.00 H ATOM 95 HB2 ALA A 8 10.940 48.886 11.400 1.00 0.00 H ATOM 96 HB3 ALA A 8 9.731 49.300 10.160 1.00 0.00 H ATOM 97 H ALA A 8 12.541 46.500 10.657 1.00 0.00 H ATOM 98 N VAL A 9 11.462 49.122 7.991 1.00 26.60 N ATOM 99 CA VAL A 9 12.340 49.937 7.169 1.00 27.98 C ATOM 100 C VAL A 9 12.070 51.412 7.463 1.00 28.89 C ATOM 101 O VAL A 9 10.918 51.846 7.508 1.00 30.65 O ATOM 102 CB VAL A 9 12.113 49.662 5.665 1.00 30.16 C ATOM 103 CG1 VAL A 9 10.658 49.875 5.319 1.00 33.52 C ATOM 104 CG2 VAL A 9 13.002 50.570 4.818 1.00 28.88 C ATOM 105 HA VAL A 9 13.373 49.685 7.408 1.00 0.00 H ATOM 106 HB VAL A 9 12.378 48.627 5.450 1.00 0.00 H ATOM 107 HG11 VAL A 9 10.043 49.194 5.907 1.00 0.00 H ATOM 108 HG12 VAL A 9 10.379 50.905 5.544 1.00 0.00 H ATOM 109 HG13 VAL A 9 10.506 49.679 4.258 1.00 0.00 H ATOM 110 HG21 VAL A 9 12.761 51.612 5.029 1.00 0.00 H ATOM 111 HG22 VAL A 9 14.048 50.381 5.060 1.00 0.00 H ATOM 112 HG23 VAL A 9 12.829 50.363 3.762 1.00 0.00 H ATOM 113 H VAL A 9 10.434 49.182 7.845 1.00 0.00 H ATOM 114 N ALA A 10 13.138 52.172 7.691 1.00 27.67 N ATOM 115 CA ALA A 10 13.016 53.595 7.972 1.00 25.92 C ATOM 116 C ALA A 10 12.437 54.338 6.773 1.00 25.38 C ATOM 117 O ALA A 10 12.893 54.160 5.641 1.00 23.98 O ATOM 118 CB ALA A 10 14.372 54.174 8.323 1.00 23.46 C ATOM 119 HA ALA A 10 12.339 53.717 8.817 1.00 0.00 H ATOM 120 HB1 ALA A 10 14.765 53.667 9.204 1.00 0.00 H ATOM 121 HB2 ALA A 10 15.055 54.031 7.485 1.00 0.00 H ATOM 122 HB3 ALA A 10 14.268 55.239 8.531 1.00 0.00 H ATOM 123 H ALA A 10 14.083 51.739 7.668 1.00 0.00 H ATOM 124 N LEU A 11 11.434 55.173 7.036 1.00 25.08 N ATOM 125 CA LEU A 11 10.780 55.973 6.004 1.00 26.58 C ATOM 126 C LEU A 11 11.481 57.328 5.848 1.00 28.80 C ATOM 127 O LEU A 11 11.589 57.865 4.746 1.00 30.19 O ATOM 128 CB LEU A 11 9.305 56.211 6.376 1.00 26.35 C ATOM 129 CG LEU A 11 8.373 54.992 6.417 1.00 27.25 C ATOM 130 CD1 LEU A 11 7.030 55.347 7.043 1.00 24.24 C ATOM 131 CD2 LEU A 11 8.182 54.478 5.008 1.00 26.25 C ATOM 132 HA LEU A 11 10.839 55.427 5.062 1.00 0.00 H ATOM 133 HB2 LEU A 11 9.288 56.667 7.366 1.00 0.00 H ATOM 134 HB3 LEU A 11 8.894 56.911 5.648 1.00 0.00 H ATOM 135 HG LEU A 11 8.825 54.216 7.035 1.00 0.00 H ATOM 136 HD21 LEU A 11 7.739 55.262 4.394 1.00 0.00 H ATOM 137 HD22 LEU A 11 9.148 54.191 4.593 1.00 0.00 H ATOM 138 HD23 LEU A 11 7.521 53.611 5.025 1.00 0.00 H ATOM 139 HD11 LEU A 11 7.188 55.700 8.062 1.00 0.00 H ATOM 140 HD12 LEU A 11 6.553 56.131 6.455 1.00 0.00 H ATOM 141 HD13 LEU A 11 6.392 54.463 7.058 1.00 0.00 H ATOM 142 H LEU A 11 11.102 55.259 8.018 1.00 0.00 H ATOM 143 N TYR A 12 11.971 57.868 6.960 1.00 30.55 N ATOM 144 CA TYR A 12 12.619 59.173 6.961 1.00 29.64 C ATOM 145 C TYR A 12 13.863 59.192 7.827 1.00 29.97 C ATOM 146 O TYR A 12 14.152 58.233 8.543 1.00 29.81 O ATOM 147 CB TYR A 12 11.653 60.222 7.512 1.00 30.64 C ATOM 148 CG TYR A 12 10.214 60.028 7.096 1.00 32.36 C ATOM 149 CD1 TYR A 12 9.804 60.268 5.784 1.00 33.99 C ATOM 150 CD2 TYR A 12 9.260 59.607 8.017 1.00 32.87 C ATOM 151 CE1 TYR A 12 8.470 60.093 5.405 1.00 35.91 C ATOM 152 CE2 TYR A 12 7.930 59.428 7.649 1.00 34.90 C ATOM 153 CZ TYR A 12 7.541 59.672 6.344 1.00 35.46 C ATOM 154 OH TYR A 12 6.222 59.499 5.984 1.00 39.12 O ATOM 155 HA TYR A 12 12.902 59.391 5.931 1.00 0.00 H ATOM 156 HB3 TYR A 12 11.979 61.202 7.164 1.00 0.00 H ATOM 157 HB2 TYR A 12 11.700 60.190 8.601 1.00 0.00 H ATOM 158 HD2 TYR A 12 9.560 59.414 9.047 1.00 0.00 H ATOM 159 HE2 TYR A 12 7.198 59.097 8.386 1.00 0.00 H ATOM 160 HE1 TYR A 12 8.162 60.286 4.377 1.00 0.00 H ATOM 161 HD1 TYR A 12 10.534 60.597 5.044 1.00 0.00 H ATOM 162 HH TYR A 12 6.112 59.714 5.024 1.00 0.00 H ATOM 163 H TYR A 12 11.889 57.344 7.855 1.00 0.00 H ATOM 164 N ASP A 13 14.589 60.304 7.767 1.00 30.98 N ATOM 165 CA ASP A 13 15.782 60.479 8.578 1.00 32.17 C ATOM 166 C ASP A 13 15.354 60.783 10.007 1.00 32.12 C ATOM 167 O ASP A 13 14.345 61.460 10.238 1.00 29.20 O ATOM 168 CB ASP A 13 16.627 61.663 8.091 1.00 36.31 C ATOM 169 CG ASP A 13 17.258 61.428 6.729 1.00 40.48 C ATOM 170 OD1 ASP A 13 16.537 61.506 5.708 1.00 42.17 O ATOM 171 OD2 ASP A 13 18.480 61.167 6.686 1.00 39.54 O ATOM 172 HA ASP A 13 16.373 59.566 8.510 1.00 0.00 H ATOM 173 HB2 ASP A 13 15.987 62.543 8.030 1.00 0.00 H ATOM 174 HB3 ASP A 13 17.422 61.843 8.815 1.00 0.00 H ATOM 175 H ASP A 13 14.296 61.067 7.124 1.00 0.00 H ATOM 176 N TYR A 14 16.115 60.263 10.964 1.00 31.54 N ATOM 177 CA TYR A 14 15.857 60.540 12.367 1.00 30.86 C ATOM 178 C TYR A 14 17.185 60.592 13.101 1.00 30.48 C ATOM 179 O TYR A 14 18.011 59.695 12.967 1.00 29.20 O ATOM 180 CB TYR A 14 14.964 59.485 13.027 1.00 30.41 C ATOM 181 CG TYR A 14 14.649 59.874 14.462 1.00 31.69 C ATOM 182 CD1 TYR A 14 13.787 60.943 14.742 1.00 31.28 C ATOM 183 CD2 TYR A 14 15.308 59.266 15.532 1.00 30.25 C ATOM 184 CE1 TYR A 14 13.605 61.401 16.046 1.00 29.95 C ATOM 185 CE2 TYR A 14 15.132 59.717 16.838 1.00 29.76 C ATOM 186 CZ TYR A 14 14.286 60.785 17.087 1.00 30.69 C ATOM 187 OH TYR A 14 14.160 61.271 18.368 1.00 32.45 O ATOM 188 HA TYR A 14 15.329 61.492 12.425 1.00 0.00 H ATOM 189 HB3 TYR A 14 15.479 58.524 13.021 1.00 0.00 H ATOM 190 HB2 TYR A 14 14.033 59.401 12.466 1.00 0.00 H ATOM 191 HD2 TYR A 14 15.972 58.423 15.342 1.00 0.00 H ATOM 192 HE2 TYR A 14 15.658 59.232 17.660 1.00 0.00 H ATOM 193 HE1 TYR A 14 12.934 62.236 16.247 1.00 0.00 H ATOM 194 HD1 TYR A 14 13.249 61.425 13.926 1.00 0.00 H ATOM 195 HH TYR A 14 15.043 61.581 18.690 1.00 0.00 H ATOM 196 H TYR A 14 16.911 59.646 10.704 1.00 0.00 H ATOM 197 N GLN A 15 17.383 61.663 13.859 1.00 31.43 N ATOM 198 CA GLN A 15 18.601 61.860 14.634 1.00 31.84 C ATOM 199 C GLN A 15 18.308 61.696 16.114 1.00 30.96 C ATOM 200 O GLN A 15 17.473 62.410 16.673 1.00 29.50 O ATOM 201 CB GLN A 15 19.171 63.261 14.397 1.00 33.19 C ATOM 202 CG GLN A 15 19.910 63.425 13.097 1.00 35.08 C ATOM 203 CD GLN A 15 21.138 62.551 13.029 1.00 37.73 C ATOM 204 OE1 GLN A 15 21.889 62.428 14.004 1.00 36.91 O ATOM 205 NE2 GLN A 15 21.361 61.941 11.872 1.00 39.82 N ATOM 206 HA GLN A 15 19.329 61.115 14.314 1.00 0.00 H ATOM 207 HB2 GLN A 15 18.344 63.971 14.410 1.00 0.00 H ATOM 208 HB3 GLN A 15 19.859 63.491 15.211 1.00 0.00 H ATOM 209 HG2 GLN A 15 19.243 63.159 12.277 1.00 0.00 H ATOM 210 HG3 GLN A 15 20.213 64.467 12.994 1.00 0.00 H ATOM 211 HE22 GLN A 15 20.702 62.074 11.079 1.00 0.00 H ATOM 212 HE21 GLN A 15 22.195 61.330 11.758 1.00 0.00 H ATOM 213 H GLN A 15 16.640 62.390 13.902 1.00 0.00 H ATOM 214 N ALA A 16 19.001 60.754 16.743 1.00 30.39 N ATOM 215 CA ALA A 16 18.829 60.504 18.162 1.00 31.53 C ATOM 216 C ALA A 16 19.029 61.811 18.915 1.00 33.18 C ATOM 217 O ALA A 16 19.987 62.536 18.663 1.00 32.37 O ATOM 218 CB ALA A 16 19.841 59.473 18.629 1.00 29.71 C ATOM 219 HA ALA A 16 17.827 60.119 18.354 1.00 0.00 H ATOM 220 HB1 ALA A 16 19.692 58.544 18.078 1.00 0.00 H ATOM 221 HB2 ALA A 16 20.849 59.847 18.448 1.00 0.00 H ATOM 222 HB3 ALA A 16 19.706 59.290 19.695 1.00 0.00 H ATOM 223 H ALA A 16 19.683 60.182 16.206 1.00 0.00 H ATOM 224 N ALA A 17 18.113 62.116 19.825 1.00 37.31 N ATOM 225 CA ALA A 17 18.197 63.339 20.615 1.00 40.65 C ATOM 226 C ALA A 17 18.474 62.954 22.055 1.00 43.78 C ATOM 227 O ALA A 17 18.231 63.734 22.976 1.00 45.55 O ATOM 228 CB ALA A 17 16.891 64.124 20.526 1.00 39.92 C ATOM 229 HA ALA A 17 18.997 63.972 20.232 1.00 0.00 H ATOM 230 HB1 ALA A 17 16.696 64.386 19.486 1.00 0.00 H ATOM 231 HB2 ALA A 17 16.074 63.511 20.907 1.00 0.00 H ATOM 232 HB3 ALA A 17 16.974 65.033 21.122 1.00 0.00 H ATOM 233 H ALA A 17 17.315 61.467 19.979 1.00 0.00 H ATOM 234 N GLY A 18 18.982 61.737 22.234 1.00 46.06 N ATOM 235 CA GLY A 18 19.293 61.231 23.557 1.00 47.15 C ATOM 236 C GLY A 18 20.050 59.920 23.457 1.00 48.43 C ATOM 237 O GLY A 18 19.979 59.230 22.438 1.00 48.29 O ATOM 238 HA3 GLY A 18 18.366 61.070 24.107 1.00 0.00 H ATOM 239 HA2 GLY A 18 19.906 61.961 24.086 1.00 0.00 H ATOM 240 H GLY A 18 19.160 61.134 21.405 1.00 0.00 H ATOM 241 N ASP A 19 20.776 59.572 24.513 1.00 49.28 N ATOM 242 CA ASP A 19 21.550 58.335 24.534 1.00 49.76 C ATOM 243 C ASP A 19 20.638 57.105 24.582 1.00 47.00 C ATOM 244 O ASP A 19 21.087 55.977 24.374 1.00 48.93 O ATOM 245 CB ASP A 19 22.502 58.341 25.737 1.00 54.83 C ATOM 246 CG ASP A 19 23.438 59.550 25.736 1.00 58.92 C ATOM 247 OD1 ASP A 19 24.189 59.717 24.747 1.00 60.81 O ATOM 248 OD2 ASP A 19 23.420 60.330 26.719 1.00 59.72 O ATOM 249 HA ASP A 19 22.131 58.279 23.613 1.00 0.00 H ATOM 250 HB2 ASP A 19 21.910 58.358 26.652 1.00 0.00 H ATOM 251 HB3 ASP A 19 23.104 57.432 25.712 1.00 0.00 H ATOM 252 H ASP A 19 20.793 60.196 25.345 1.00 0.00 H ATOM 253 N ASP A 20 19.356 57.335 24.848 1.00 42.03 N ATOM 254 CA ASP A 20 18.364 56.267 24.917 1.00 37.93 C ATOM 255 C ASP A 20 17.686 56.039 23.564 1.00 34.28 C ATOM 256 O ASP A 20 16.828 55.164 23.432 1.00 31.66 O ATOM 257 CB ASP A 20 17.306 56.625 25.955 1.00 38.63 C ATOM 258 CG ASP A 20 16.591 57.916 25.624 1.00 40.12 C ATOM 259 OD1 ASP A 20 17.253 58.844 25.112 1.00 42.91 O ATOM 260 OD2 ASP A 20 15.374 58.013 25.885 1.00 42.38 O ATOM 261 HA ASP A 20 18.878 55.348 25.199 1.00 0.00 H ATOM 262 HB2 ASP A 20 16.573 55.820 26.001 1.00 0.00 H ATOM 263 HB3 ASP A 20 17.789 56.731 26.926 1.00 0.00 H ATOM 264 H ASP A 20 19.048 58.314 25.013 1.00 0.00 H ATOM 265 N GLU A 21 18.091 56.825 22.568 1.00 31.35 N ATOM 266 CA GLU A 21 17.530 56.765 21.220 1.00 29.10 C ATOM 267 C GLU A 21 18.548 56.337 20.180 1.00 29.68 C ATOM 268 O GLU A 21 19.750 56.366 20.429 1.00 28.92 O ATOM 269 CB GLU A 21 17.012 58.142 20.811 1.00 27.12 C ATOM 270 CG GLU A 21 15.757 58.594 21.508 1.00 29.41 C ATOM 271 CD GLU A 21 15.525 60.083 21.342 1.00 31.53 C ATOM 272 OE1 GLU A 21 15.768 60.611 20.237 1.00 30.72 O ATOM 273 OE2 GLU A 21 15.095 60.727 22.320 1.00 37.66 O ATOM 274 HA GLU A 21 16.729 56.026 21.255 1.00 0.00 H ATOM 275 HB2 GLU A 21 17.794 58.871 21.020 1.00 0.00 H ATOM 276 HB3 GLU A 21 16.813 58.122 19.740 1.00 0.00 H ATOM 277 HG2 GLU A 21 14.907 58.055 21.089 1.00 0.00 H ATOM 278 HG3 GLU A 21 15.842 58.366 22.571 1.00 0.00 H ATOM 279 H GLU A 21 18.844 57.516 22.759 1.00 0.00 H ATOM 280 N ILE A 22 18.052 55.962 19.003 1.00 29.37 N ATOM 281 CA ILE A 22 18.910 55.571 17.891 1.00 29.25 C ATOM 282 C ILE A 22 18.627 56.491 16.705 1.00 31.01 C ATOM 283 O ILE A 22 17.703 57.318 16.750 1.00 30.84 O ATOM 284 CB ILE A 22 18.670 54.107 17.460 1.00 27.81 C ATOM 285 CG1 ILE A 22 17.186 53.880 17.162 1.00 26.32 C ATOM 286 CG2 ILE A 22 19.175 53.162 18.537 1.00 26.63 C ATOM 287 CD1 ILE A 22 16.878 52.501 16.589 1.00 24.10 C ATOM 288 HA ILE A 22 19.946 55.657 18.218 1.00 0.00 H ATOM 289 HB ILE A 22 19.226 53.902 16.545 1.00 0.00 H ATOM 290 HG12 ILE A 22 16.626 54.000 18.090 1.00 0.00 H ATOM 291 HG13 ILE A 22 16.860 54.632 16.443 1.00 0.00 H ATOM 292 HD11 ILE A 22 17.421 52.368 15.653 1.00 0.00 H ATOM 293 HD12 ILE A 22 17.187 51.736 17.301 1.00 0.00 H ATOM 294 HD13 ILE A 22 15.807 52.417 16.404 1.00 0.00 H ATOM 295 HG21 ILE A 22 20.242 53.323 18.688 1.00 0.00 H ATOM 296 HG22 ILE A 22 18.642 53.356 19.468 1.00 0.00 H ATOM 297 HG23 ILE A 22 19.002 52.132 18.225 1.00 0.00 H ATOM 298 H ILE A 22 17.020 55.947 18.873 1.00 0.00 H ATOM 299 N SER A 23 19.417 56.345 15.646 1.00 31.15 N ATOM 300 CA SER A 23 19.256 57.170 14.451 1.00 29.95 C ATOM 301 C SER A 23 19.241 56.304 13.208 1.00 28.78 C ATOM 302 O SER A 23 19.757 55.194 13.216 1.00 30.24 O ATOM 303 CB SER A 23 20.421 58.157 14.323 1.00 28.05 C ATOM 304 OG SER A 23 20.660 58.835 15.535 1.00 30.93 O ATOM 305 HA SER A 23 18.313 57.709 14.545 1.00 0.00 H ATOM 306 HB2 SER A 23 20.183 58.887 13.549 1.00 0.00 H ATOM 307 HB3 SER A 23 21.320 57.609 14.040 1.00 0.00 H ATOM 308 HG SER A 23 20.882 58.178 16.241 1.00 0.00 H ATOM 309 H SER A 23 20.168 55.626 15.669 1.00 0.00 H ATOM 310 N PHE A 24 18.659 56.820 12.133 1.00 28.13 N ATOM 311 CA PHE A 24 18.631 56.091 10.880 1.00 28.97 C ATOM 312 C PHE A 24 18.372 56.987 9.680 1.00 30.88 C ATOM 313 O PHE A 24 17.918 58.124 9.829 1.00 31.39 O ATOM 314 CB PHE A 24 17.606 54.928 10.921 1.00 29.21 C ATOM 315 CG PHE A 24 16.246 55.296 11.469 1.00 28.65 C ATOM 316 CD1 PHE A 24 15.428 56.209 10.811 1.00 27.73 C ATOM 317 CD2 PHE A 24 15.762 54.676 12.627 1.00 28.77 C ATOM 318 CE1 PHE A 24 14.135 56.503 11.294 1.00 28.02 C ATOM 319 CE2 PHE A 24 14.473 54.961 13.121 1.00 29.29 C ATOM 320 CZ PHE A 24 13.657 55.879 12.448 1.00 25.53 C ATOM 321 HA PHE A 24 19.629 55.670 10.756 1.00 0.00 H ATOM 322 HB2 PHE A 24 17.473 54.558 9.904 1.00 0.00 H ATOM 323 HB3 PHE A 24 18.019 54.135 11.544 1.00 0.00 H ATOM 324 HD2 PHE A 24 16.392 53.961 13.155 1.00 0.00 H ATOM 325 HE2 PHE A 24 14.112 54.468 14.024 1.00 0.00 H ATOM 326 HZ PHE A 24 12.658 56.104 12.822 1.00 0.00 H ATOM 327 HE1 PHE A 24 13.507 57.220 10.764 1.00 0.00 H ATOM 328 HD1 PHE A 24 15.791 56.704 9.910 1.00 0.00 H ATOM 329 H PHE A 24 18.217 57.760 12.190 1.00 0.00 H ATOM 330 N ASP A 25 18.705 56.469 8.498 1.00 31.72 N ATOM 331 CA ASP A 25 18.500 57.165 7.235 1.00 33.12 C ATOM 332 C ASP A 25 17.393 56.412 6.511 1.00 32.86 C ATOM 333 O ASP A 25 17.139 55.246 6.809 1.00 33.05 O ATOM 334 CB ASP A 25 19.759 57.116 6.362 1.00 34.70 C ATOM 335 CG ASP A 25 21.002 57.574 7.092 1.00 37.16 C ATOM 336 OD1 ASP A 25 21.020 58.722 7.592 1.00 38.23 O ATOM 337 OD2 ASP A 25 21.963 56.779 7.158 1.00 36.80 O ATOM 338 HA ASP A 25 18.256 58.211 7.420 1.00 0.00 H ATOM 339 HB2 ASP A 25 19.910 56.090 6.027 1.00 0.00 H ATOM 340 HB3 ASP A 25 19.607 57.760 5.496 1.00 0.00 H ATOM 341 H ASP A 25 19.132 55.521 8.476 1.00 0.00 H ATOM 342 N PRO A 26 16.721 57.063 5.546 1.00 34.18 N ATOM 343 CA PRO A 26 15.656 56.356 4.827 1.00 33.36 C ATOM 344 C PRO A 26 16.211 55.025 4.309 1.00 34.77 C ATOM 345 O PRO A 26 17.390 54.939 3.964 1.00 34.23 O ATOM 346 CB PRO A 26 15.315 57.315 3.692 1.00 32.35 C ATOM 347 CG PRO A 26 15.607 58.664 4.283 1.00 32.23 C ATOM 348 CD PRO A 26 16.903 58.432 5.024 1.00 31.88 C ATOM 349 HA PRO A 26 14.780 56.110 5.427 1.00 0.00 H ATOM 350 HD3 PRO A 26 17.759 58.489 4.352 1.00 0.00 H ATOM 351 HD2 PRO A 26 17.030 59.151 5.834 1.00 0.00 H ATOM 352 HG3 PRO A 26 14.815 58.974 4.965 1.00 0.00 H ATOM 353 HG2 PRO A 26 15.729 59.416 3.504 1.00 0.00 H ATOM 354 HB2 PRO A 26 15.940 57.127 2.819 1.00 0.00 H ATOM 355 HB3 PRO A 26 14.265 57.230 3.410 1.00 0.00 H ATOM 356 N ASP A 27 15.368 53.995 4.276 1.00 36.12 N ATOM 357 CA ASP A 27 15.759 52.667 3.795 1.00 36.83 C ATOM 358 C ASP A 27 16.617 51.853 4.754 1.00 35.27 C ATOM 359 O ASP A 27 16.976 50.720 4.450 1.00 34.59 O ATOM 360 CB ASP A 27 16.480 52.760 2.449 1.00 39.92 C ATOM 361 CG ASP A 27 15.617 53.366 1.371 1.00 44.99 C ATOM 362 OD1 ASP A 27 14.444 52.950 1.247 1.00 46.69 O ATOM 363 OD2 ASP A 27 16.113 54.256 0.645 1.00 48.46 O ATOM 364 HA ASP A 27 14.813 52.134 3.699 1.00 0.00 H ATOM 365 HB2 ASP A 27 17.371 53.376 2.571 1.00 0.00 H ATOM 366 HB3 ASP A 27 16.773 51.757 2.139 1.00 0.00 H ATOM 367 H ASP A 27 14.392 54.139 4.605 1.00 0.00 H ATOM 368 N ASP A 28 16.974 52.425 5.896 1.00 34.33 N ATOM 369 CA ASP A 28 17.748 51.671 6.873 1.00 31.85 C ATOM 370 C ASP A 28 16.777 50.636 7.417 1.00 30.94 C ATOM 371 O ASP A 28 15.558 50.812 7.309 1.00 29.10 O ATOM 372 CB ASP A 28 18.232 52.566 8.020 1.00 31.97 C ATOM 373 CG ASP A 28 19.589 53.185 7.751 1.00 32.92 C ATOM 374 OD1 ASP A 28 20.267 52.751 6.795 1.00 33.44 O ATOM 375 OD2 ASP A 28 19.989 54.097 8.509 1.00 32.26 O ATOM 376 HA ASP A 28 18.638 51.233 6.420 1.00 0.00 H ATOM 377 HB2 ASP A 28 17.507 53.366 8.167 1.00 0.00 H ATOM 378 HB3 ASP A 28 18.297 51.965 8.927 1.00 0.00 H ATOM 379 H ASP A 28 16.702 53.409 6.094 1.00 0.00 H ATOM 380 N ILE A 29 17.319 49.571 8.002 1.00 30.08 N ATOM 381 CA ILE A 29 16.520 48.488 8.571 1.00 28.12 C ATOM 382 C ILE A 29 16.565 48.469 10.105 1.00 27.63 C ATOM 383 O ILE A 29 17.640 48.523 10.698 1.00 28.29 O ATOM 384 CB ILE A 29 17.027 47.115 8.055 1.00 27.73 C ATOM 385 CG1 ILE A 29 16.985 47.090 6.519 1.00 28.37 C ATOM 386 CG2 ILE A 29 16.206 45.986 8.654 1.00 22.24 C ATOM 387 CD1 ILE A 29 15.625 47.405 5.915 1.00 28.48 C ATOM 388 HA ILE A 29 15.492 48.666 8.255 1.00 0.00 H ATOM 389 HB ILE A 29 18.060 46.970 8.370 1.00 0.00 H ATOM 390 HG12 ILE A 29 17.700 47.824 6.148 1.00 0.00 H ATOM 391 HG13 ILE A 29 17.282 46.095 6.187 1.00 0.00 H ATOM 392 HD11 ILE A 29 14.896 46.673 6.263 1.00 0.00 H ATOM 393 HD12 ILE A 29 15.314 48.403 6.223 1.00 0.00 H ATOM 394 HD13 ILE A 29 15.693 47.364 4.828 1.00 0.00 H ATOM 395 HG21 ILE A 29 16.294 46.011 9.740 1.00 0.00 H ATOM 396 HG22 ILE A 29 15.161 46.108 8.370 1.00 0.00 H ATOM 397 HG23 ILE A 29 16.576 45.031 8.280 1.00 0.00 H ATOM 398 H ILE A 29 18.356 49.507 8.057 1.00 0.00 H ATOM 399 N ILE A 30 15.398 48.399 10.741 1.00 26.73 N ATOM 400 CA ILE A 30 15.316 48.329 12.203 1.00 24.53 C ATOM 401 C ILE A 30 14.853 46.919 12.557 1.00 23.36 C ATOM 402 O ILE A 30 13.859 46.433 12.024 1.00 25.20 O ATOM 403 CB ILE A 30 14.305 49.359 12.791 1.00 25.55 C ATOM 404 CG1 ILE A 30 14.692 50.791 12.382 1.00 26.34 C ATOM 405 CG2 ILE A 30 14.305 49.280 14.307 1.00 22.70 C ATOM 406 CD1 ILE A 30 14.459 51.111 10.924 1.00 26.96 C ATOM 407 HA ILE A 30 16.293 48.564 12.626 1.00 0.00 H ATOM 408 HB ILE A 30 13.316 49.120 12.400 1.00 0.00 H ATOM 409 HG12 ILE A 30 14.105 51.487 12.982 1.00 0.00 H ATOM 410 HG13 ILE A 30 15.751 50.932 12.597 1.00 0.00 H ATOM 411 HD11 ILE A 30 15.049 50.434 10.306 1.00 0.00 H ATOM 412 HD12 ILE A 30 13.401 50.989 10.691 1.00 0.00 H ATOM 413 HD13 ILE A 30 14.760 52.140 10.727 1.00 0.00 H ATOM 414 HG21 ILE A 30 14.016 48.276 14.617 1.00 0.00 H ATOM 415 HG22 ILE A 30 15.304 49.504 14.681 1.00 0.00 H ATOM 416 HG23 ILE A 30 13.595 50.004 14.707 1.00 0.00 H ATOM 417 H ILE A 30 14.519 48.394 10.185 1.00 0.00 H ATOM 418 N THR A 31 15.574 46.252 13.447 1.00 22.83 N ATOM 419 CA THR A 31 15.212 44.891 13.820 1.00 24.85 C ATOM 420 C THR A 31 14.925 44.759 15.311 1.00 26.99 C ATOM 421 O THR A 31 15.148 45.694 16.085 1.00 26.56 O ATOM 422 CB THR A 31 16.341 43.897 13.468 1.00 23.15 C ATOM 423 OG1 THR A 31 17.447 44.110 14.350 1.00 24.05 O ATOM 424 CG2 THR A 31 16.814 44.103 12.034 1.00 21.76 C ATOM 425 HA THR A 31 14.309 44.658 13.256 1.00 0.00 H ATOM 426 HB THR A 31 15.955 42.883 13.574 1.00 0.00 H ATOM 427 HG1 THR A 31 17.155 43.965 15.285 1.00 0.00 H ATOM 428 HG23 THR A 31 15.980 43.943 11.351 1.00 0.00 H ATOM 429 HG21 THR A 31 17.190 45.120 11.919 1.00 0.00 H ATOM 430 HG22 THR A 31 17.610 43.393 11.810 1.00 0.00 H ATOM 431 H THR A 31 16.404 46.703 13.882 1.00 0.00 H ATOM 432 N ASN A 32 14.441 43.580 15.694 1.00 27.70 N ATOM 433 CA ASN A 32 14.120 43.255 17.075 1.00 29.53 C ATOM 434 C ASN A 32 13.252 44.321 17.713 1.00 31.91 C ATOM 435 O ASN A 32 13.441 44.698 18.870 1.00 34.05 O ATOM 436 CB ASN A 32 15.405 43.063 17.883 1.00 29.86 C ATOM 437 CG ASN A 32 16.336 42.046 17.254 1.00 30.17 C ATOM 438 OD1 ASN A 32 17.250 42.399 16.511 1.00 31.65 O ATOM 439 ND2 ASN A 32 16.088 40.774 17.526 1.00 30.80 N ATOM 440 HA ASN A 32 13.553 42.324 17.075 1.00 0.00 H ATOM 441 HB2 ASN A 32 15.924 44.019 17.949 1.00 0.00 H ATOM 442 HB3 ASN A 32 15.142 42.724 18.885 1.00 0.00 H ATOM 443 HD22 ASN A 32 15.304 40.521 18.161 1.00 0.00 H ATOM 444 HD21 ASN A 32 16.677 40.028 17.105 1.00 0.00 H ATOM 445 H ASN A 32 14.284 42.853 14.968 1.00 0.00 H ATOM 446 N ILE A 33 12.281 44.795 16.944 1.00 32.66 N ATOM 447 CA ILE A 33 11.375 45.823 17.408 1.00 32.21 C ATOM 448 C ILE A 33 10.442 45.397 18.539 1.00 35.06 C ATOM 449 O ILE A 33 9.976 44.258 18.601 1.00 35.20 O ATOM 450 CB ILE A 33 10.512 46.339 16.242 1.00 30.39 C ATOM 451 CG1 ILE A 33 11.399 47.093 15.248 1.00 28.36 C ATOM 452 CG2 ILE A 33 9.362 47.192 16.776 1.00 26.42 C ATOM 453 CD1 ILE A 33 10.661 47.641 14.057 1.00 25.62 C ATOM 454 HA ILE A 33 12.024 46.602 17.809 1.00 0.00 H ATOM 455 HB ILE A 33 10.060 45.503 15.708 1.00 0.00 H ATOM 456 HG12 ILE A 33 11.869 47.925 15.772 1.00 0.00 H ATOM 457 HG13 ILE A 33 12.169 46.410 14.889 1.00 0.00 H ATOM 458 HD11 ILE A 33 10.194 46.821 13.512 1.00 0.00 H ATOM 459 HD12 ILE A 33 9.894 48.338 14.395 1.00 0.00 H ATOM 460 HD13 ILE A 33 11.362 48.160 13.404 1.00 0.00 H ATOM 461 HG21 ILE A 33 8.743 46.590 17.441 1.00 0.00 H ATOM 462 HG22 ILE A 33 9.767 48.042 17.325 1.00 0.00 H ATOM 463 HG23 ILE A 33 8.759 47.551 15.942 1.00 0.00 H ATOM 464 H ILE A 33 12.168 44.418 15.982 1.00 0.00 H ATOM 465 N GLU A 34 10.183 46.345 19.430 1.00 36.82 N ATOM 466 CA GLU A 34 9.275 46.160 20.548 1.00 38.65 C ATOM 467 C GLU A 34 8.348 47.370 20.513 1.00 37.36 C ATOM 468 O GLU A 34 8.781 48.499 20.735 1.00 34.90 O ATOM 469 CB GLU A 34 10.038 46.122 21.872 1.00 41.42 C ATOM 470 CG GLU A 34 10.701 44.792 22.153 1.00 47.20 C ATOM 471 CD GLU A 34 11.370 44.750 23.515 1.00 51.23 C ATOM 472 OE1 GLU A 34 12.433 45.393 23.686 1.00 52.06 O ATOM 473 OE2 GLU A 34 10.823 44.075 24.416 1.00 53.96 O ATOM 474 HA GLU A 34 8.732 45.218 20.471 1.00 0.00 H ATOM 475 HB2 GLU A 34 10.808 46.893 21.848 1.00 0.00 H ATOM 476 HB3 GLU A 34 9.338 46.335 22.680 1.00 0.00 H ATOM 477 HG2 GLU A 34 9.944 44.009 22.111 1.00 0.00 H ATOM 478 HG3 GLU A 34 11.455 44.609 21.387 1.00 0.00 H ATOM 479 H GLU A 34 10.653 47.266 19.323 1.00 0.00 H ATOM 480 N MET A 35 7.080 47.124 20.204 1.00 38.00 N ATOM 481 CA MET A 35 6.079 48.180 20.121 1.00 41.22 C ATOM 482 C MET A 35 5.555 48.465 21.527 1.00 42.40 C ATOM 483 O MET A 35 4.490 47.988 21.908 1.00 43.01 O ATOM 484 CB MET A 35 4.950 47.722 19.195 1.00 40.86 C ATOM 485 CG MET A 35 5.474 47.038 17.936 1.00 43.06 C ATOM 486 SD MET A 35 4.207 46.409 16.807 1.00 46.79 S ATOM 487 CE MET A 35 3.656 44.939 17.704 1.00 46.28 C ATOM 488 HA MET A 35 6.510 49.095 19.714 1.00 0.00 H ATOM 489 HB2 MET A 35 4.315 47.021 19.737 1.00 0.00 H ATOM 490 HB3 MET A 35 4.362 48.592 18.903 1.00 0.00 H ATOM 491 HG2 MET A 35 6.097 46.198 18.244 1.00 0.00 H ATOM 492 HG3 MET A 35 6.083 47.759 17.390 1.00 0.00 H ATOM 493 HE1 MET A 35 4.498 44.260 17.839 1.00 0.00 H ATOM 494 HE2 MET A 35 3.266 45.234 18.678 1.00 0.00 H ATOM 495 HE3 MET A 35 2.873 44.440 17.134 1.00 0.00 H ATOM 496 H MET A 35 6.791 46.143 20.015 1.00 0.00 H ATOM 497 N ILE A 36 6.316 49.255 22.284 1.00 44.55 N ATOM 498 CA ILE A 36 5.975 49.579 23.664 1.00 47.46 C ATOM 499 C ILE A 36 4.871 50.609 23.860 1.00 48.58 C ATOM 500 O ILE A 36 4.297 50.703 24.941 1.00 49.73 O ATOM 501 CB ILE A 36 7.239 49.996 24.454 1.00 48.09 C ATOM 502 CG1 ILE A 36 7.990 51.112 23.729 1.00 48.57 C ATOM 503 CG2 ILE A 36 8.158 48.787 24.609 1.00 48.72 C ATOM 504 CD1 ILE A 36 9.273 51.546 24.434 1.00 47.19 C ATOM 505 HA ILE A 36 5.558 48.652 24.058 1.00 0.00 H ATOM 506 HB ILE A 36 6.932 50.363 25.433 1.00 0.00 H ATOM 507 HG12 ILE A 36 8.248 50.761 22.730 1.00 0.00 H ATOM 508 HG13 ILE A 36 7.331 51.976 23.650 1.00 0.00 H ATOM 509 HD11 ILE A 36 9.032 51.911 25.432 1.00 0.00 H ATOM 510 HD12 ILE A 36 9.950 50.695 24.511 1.00 0.00 H ATOM 511 HD13 ILE A 36 9.750 52.341 23.860 1.00 0.00 H ATOM 512 HG21 ILE A 36 7.632 48.000 25.149 1.00 0.00 H ATOM 513 HG22 ILE A 36 8.447 48.423 23.623 1.00 0.00 H ATOM 514 HG23 ILE A 36 9.049 49.078 25.165 1.00 0.00 H ATOM 515 H ILE A 36 7.185 49.655 21.875 1.00 0.00 H ATOM 516 N ASP A 37 4.586 51.384 22.822 1.00 49.78 N ATOM 517 CA ASP A 37 3.511 52.366 22.851 1.00 52.07 C ATOM 518 C ASP A 37 3.385 52.975 21.467 1.00 52.77 C ATOM 519 O ASP A 37 4.236 52.749 20.609 1.00 53.57 O ATOM 520 CB ASP A 37 3.710 53.450 23.939 1.00 55.86 C ATOM 521 CG ASP A 37 4.880 54.384 23.667 1.00 58.40 C ATOM 522 OD1 ASP A 37 6.041 53.973 23.883 1.00 59.43 O ATOM 523 OD2 ASP A 37 4.630 55.539 23.249 1.00 59.12 O ATOM 524 HA ASP A 37 2.584 51.861 23.123 1.00 0.00 H ATOM 525 HB2 ASP A 37 2.800 54.047 24.000 1.00 0.00 H ATOM 526 HB3 ASP A 37 3.882 52.952 24.893 1.00 0.00 H ATOM 527 H ASP A 37 5.152 51.287 21.955 1.00 0.00 H ATOM 528 N ASP A 38 2.310 53.722 21.243 1.00 52.51 N ATOM 529 CA ASP A 38 2.048 54.332 19.944 1.00 50.89 C ATOM 530 C ASP A 38 3.019 55.436 19.544 1.00 49.68 C ATOM 531 O ASP A 38 3.002 55.896 18.402 1.00 52.21 O ATOM 532 CB ASP A 38 0.617 54.864 19.921 1.00 51.43 C ATOM 533 CG ASP A 38 -0.403 53.779 20.221 1.00 52.46 C ATOM 534 OD1 ASP A 38 -0.626 52.911 19.346 1.00 52.95 O ATOM 535 OD2 ASP A 38 -0.968 53.787 21.337 1.00 51.71 O ATOM 536 HA ASP A 38 2.193 53.543 19.206 1.00 0.00 H ATOM 537 HB2 ASP A 38 0.523 55.651 20.669 1.00 0.00 H ATOM 538 HB3 ASP A 38 0.411 55.276 18.933 1.00 0.00 H ATOM 539 H ASP A 38 1.634 53.877 22.018 1.00 0.00 H ATOM 540 N GLY A 39 3.867 55.866 20.469 1.00 46.10 N ATOM 541 CA GLY A 39 4.807 56.916 20.127 1.00 43.05 C ATOM 542 C GLY A 39 6.194 56.387 19.818 1.00 40.27 C ATOM 543 O GLY A 39 6.658 56.445 18.683 1.00 38.88 O ATOM 544 HA3 GLY A 39 4.877 57.608 20.966 1.00 0.00 H ATOM 545 HA2 GLY A 39 4.433 57.446 19.251 1.00 0.00 H ATOM 546 H GLY A 39 3.858 55.456 21.425 1.00 0.00 H ATOM 547 N TRP A 40 6.846 55.845 20.839 1.00 37.67 N ATOM 548 CA TRP A 40 8.195 55.334 20.699 1.00 34.66 C ATOM 549 C TRP A 40 8.328 53.836 20.800 1.00 34.75 C ATOM 550 O TRP A 40 7.769 53.205 21.695 1.00 34.64 O ATOM 551 CB TRP A 40 9.097 55.954 21.760 1.00 32.17 C ATOM 552 CG TRP A 40 9.074 57.428 21.735 1.00 31.36 C ATOM 553 CD1 TRP A 40 8.149 58.249 22.321 1.00 27.25 C ATOM 554 CD2 TRP A 40 9.984 58.276 21.032 1.00 28.96 C ATOM 555 NE1 TRP A 40 8.430 59.561 22.019 1.00 29.56 N ATOM 556 CE2 TRP A 40 9.551 59.608 21.230 1.00 28.61 C ATOM 557 CE3 TRP A 40 11.125 58.042 20.251 1.00 25.76 C ATOM 558 CZ2 TRP A 40 10.221 60.705 20.677 1.00 27.63 C ATOM 559 CZ3 TRP A 40 11.793 59.137 19.696 1.00 25.77 C ATOM 560 CH2 TRP A 40 11.337 60.450 19.913 1.00 24.93 C ATOM 561 HA TRP A 40 8.490 55.610 19.687 1.00 0.00 H ATOM 562 HB2 TRP A 40 8.765 55.616 22.742 1.00 0.00 H ATOM 563 HB3 TRP A 40 10.120 55.618 21.589 1.00 0.00 H ATOM 564 HE1 TRP A 40 7.881 60.385 22.338 1.00 0.00 H ATOM 565 HD1 TRP A 40 7.314 57.913 22.936 1.00 0.00 H ATOM 566 HZ2 TRP A 40 9.872 61.724 20.845 1.00 0.00 H ATOM 567 HH2 TRP A 40 11.879 61.283 19.466 1.00 0.00 H ATOM 568 HZ3 TRP A 40 12.681 58.971 19.086 1.00 0.00 H ATOM 569 HE3 TRP A 40 11.484 57.027 20.080 1.00 0.00 H ATOM 570 H TRP A 40 6.376 55.785 21.765 1.00 0.00 H ATOM 571 N TRP A 41 9.097 53.274 19.878 1.00 33.92 N ATOM 572 CA TRP A 41 9.352 51.851 19.880 1.00 31.78 C ATOM 573 C TRP A 41 10.813 51.637 20.191 1.00 31.00 C ATOM 574 O TRP A 41 11.633 52.552 20.089 1.00 30.35 O ATOM 575 CB TRP A 41 9.023 51.233 18.528 1.00 29.99 C ATOM 576 CG TRP A 41 7.574 51.111 18.287 1.00 30.17 C ATOM 577 CD1 TRP A 41 6.564 51.503 19.121 1.00 28.00 C ATOM 578 CD2 TRP A 41 6.950 50.562 17.127 1.00 30.02 C ATOM 579 NE1 TRP A 41 5.350 51.234 18.548 1.00 28.41 N ATOM 580 CE2 TRP A 41 5.556 50.654 17.323 1.00 30.86 C ATOM 581 CE3 TRP A 41 7.435 50.001 15.937 1.00 31.31 C ATOM 582 CZ2 TRP A 41 4.635 50.204 16.371 1.00 32.62 C ATOM 583 CZ3 TRP A 41 6.523 49.552 14.989 1.00 30.88 C ATOM 584 CH2 TRP A 41 5.136 49.657 15.213 1.00 33.00 C ATOM 585 HA TRP A 41 8.721 51.372 20.629 1.00 0.00 H ATOM 586 HB2 TRP A 41 9.454 51.858 17.746 1.00 0.00 H ATOM 587 HB3 TRP A 41 9.468 50.239 18.483 1.00 0.00 H ATOM 588 HE1 TRP A 41 4.423 51.437 18.973 1.00 0.00 H ATOM 589 HD1 TRP A 41 6.705 51.963 20.099 1.00 0.00 H ATOM 590 HZ2 TRP A 41 3.561 50.284 16.541 1.00 0.00 H ATOM 591 HH2 TRP A 41 4.445 49.297 14.451 1.00 0.00 H ATOM 592 HZ3 TRP A 41 6.886 49.113 14.060 1.00 0.00 H ATOM 593 HE3 TRP A 41 8.507 49.919 15.759 1.00 0.00 H ATOM 594 H TRP A 41 9.525 53.868 19.139 1.00 0.00 H ATOM 595 N ARG A 42 11.120 50.412 20.576 1.00 29.86 N ATOM 596 CA ARG A 42 12.470 50.030 20.906 1.00 31.29 C ATOM 597 C ARG A 42 12.915 49.046 19.840 1.00 29.53 C ATOM 598 O ARG A 42 12.128 48.214 19.391 1.00 27.66 O ATOM 599 CB ARG A 42 12.486 49.377 22.287 1.00 34.92 C ATOM 600 CG ARG A 42 13.859 49.138 22.854 1.00 38.45 C ATOM 601 CD ARG A 42 13.792 49.274 24.355 1.00 41.31 C ATOM 602 NE ARG A 42 12.693 48.487 24.908 1.00 42.87 N ATOM 603 CZ ARG A 42 12.020 48.816 26.007 1.00 41.81 C ATOM 604 NH1 ARG A 42 12.329 49.925 26.676 1.00 38.99 N ATOM 605 NH2 ARG A 42 11.040 48.037 26.435 1.00 38.93 N ATOM 606 HA ARG A 42 13.140 50.889 20.935 1.00 0.00 H ATOM 607 HB2 ARG A 42 11.942 50.024 22.975 1.00 0.00 H ATOM 608 HB3 ARG A 42 11.976 48.416 22.214 1.00 0.00 H ATOM 609 HG2 ARG A 42 14.196 48.135 22.591 1.00 0.00 H ATOM 610 HG3 ARG A 42 14.556 49.872 22.450 1.00 0.00 H ATOM 611 HD2 ARG A 42 13.643 50.323 24.611 1.00 0.00 H ATOM 612 HD3 ARG A 42 14.731 48.926 24.786 1.00 0.00 H ATOM 613 HE ARG A 42 12.420 47.615 24.412 1.00 0.00 H ATOM 614 HH12 ARG A 42 11.800 50.179 27.535 1.00 0.00 H ATOM 615 HH11 ARG A 42 13.099 50.538 26.340 1.00 0.00 H ATOM 616 HH22 ARG A 42 10.511 48.291 27.294 1.00 0.00 H ATOM 617 HH21 ARG A 42 10.798 47.171 25.913 1.00 0.00 H ATOM 618 H ARG A 42 10.364 49.701 20.643 1.00 0.00 H ATOM 619 N GLY A 43 14.173 49.159 19.427 1.00 29.34 N ATOM 620 CA GLY A 43 14.704 48.269 18.415 1.00 28.79 C ATOM 621 C GLY A 43 16.181 48.482 18.175 1.00 28.27 C ATOM 622 O GLY A 43 16.824 49.264 18.872 1.00 30.01 O ATOM 623 HA3 GLY A 43 14.169 48.442 17.481 1.00 0.00 H ATOM 624 HA2 GLY A 43 14.547 47.240 18.737 1.00 0.00 H ATOM 625 H GLY A 43 14.784 49.895 19.835 1.00 0.00 H ATOM 626 N VAL A 44 16.723 47.788 17.181 1.00 27.88 N ATOM 627 CA VAL A 44 18.139 47.902 16.862 1.00 26.98 C ATOM 628 C VAL A 44 18.323 48.419 15.443 1.00 26.20 C ATOM 629 O VAL A 44 17.571 48.069 14.541 1.00 25.43 O ATOM 630 CB VAL A 44 18.864 46.525 16.990 1.00 26.49 C ATOM 631 CG1 VAL A 44 20.357 46.685 16.721 1.00 23.77 C ATOM 632 CG2 VAL A 44 18.644 45.947 18.377 1.00 24.75 C ATOM 633 HA VAL A 44 18.576 48.602 17.574 1.00 0.00 H ATOM 634 HB VAL A 44 18.447 45.841 16.251 1.00 0.00 H ATOM 635 HG11 VAL A 44 20.504 47.072 15.713 1.00 0.00 H ATOM 636 HG12 VAL A 44 20.783 47.380 17.444 1.00 0.00 H ATOM 637 HG13 VAL A 44 20.848 45.716 16.814 1.00 0.00 H ATOM 638 HG21 VAL A 44 19.044 46.634 19.123 1.00 0.00 H ATOM 639 HG22 VAL A 44 17.576 45.807 18.546 1.00 0.00 H ATOM 640 HG23 VAL A 44 19.154 44.987 18.454 1.00 0.00 H ATOM 641 H VAL A 44 16.124 47.150 16.619 1.00 0.00 H ATOM 642 N CYS A 45 19.320 49.270 15.257 1.00 27.53 N ATOM 643 CA CYS A 45 19.611 49.810 13.935 1.00 29.53 C ATOM 644 C CYS A 45 21.103 50.100 13.861 1.00 29.35 C ATOM 645 O CYS A 45 21.640 50.860 14.669 1.00 29.99 O ATOM 646 CB CYS A 45 18.805 51.085 13.672 1.00 28.43 C ATOM 647 SG CYS A 45 18.794 51.603 11.917 1.00 29.92 S ATOM 648 HA CYS A 45 19.328 49.085 13.172 1.00 0.00 H ATOM 649 HB2 CYS A 45 19.234 51.892 14.266 1.00 0.00 H ATOM 650 HB3 CYS A 45 17.776 50.912 13.986 1.00 0.00 H ATOM 651 HG CYS A 45 18.240 50.601 11.147 1.00 0.00 H ATOM 652 H CYS A 45 19.905 49.558 16.067 1.00 0.00 H ATOM 653 N LYS A 46 21.766 49.466 12.901 1.00 30.78 N ATOM 654 CA LYS A 46 23.202 49.633 12.703 1.00 33.09 C ATOM 655 C LYS A 46 24.012 49.519 13.994 1.00 34.42 C ATOM 656 O LYS A 46 24.830 50.385 14.311 1.00 33.91 O ATOM 657 CB LYS A 46 23.482 50.973 12.013 1.00 30.73 C ATOM 658 CG LYS A 46 22.915 51.032 10.606 1.00 30.69 C ATOM 659 CD LYS A 46 23.213 52.346 9.918 1.00 30.79 C ATOM 660 CE LYS A 46 22.524 53.491 10.612 1.00 32.01 C ATOM 661 NZ LYS A 46 22.581 54.717 9.781 1.00 37.11 N ATOM 662 HA LYS A 46 23.528 48.811 12.066 1.00 0.00 H ATOM 663 HB2 LYS A 46 23.034 51.771 12.605 1.00 0.00 H ATOM 664 HB3 LYS A 46 24.561 51.122 11.962 1.00 0.00 H ATOM 665 HG2 LYS A 46 23.350 50.223 10.019 1.00 0.00 H ATOM 666 HG3 LYS A 46 21.834 50.901 10.658 1.00 0.00 H ATOM 667 HD2 LYS A 46 24.289 52.518 9.930 1.00 0.00 H ATOM 668 HD3 LYS A 46 22.866 52.294 8.886 1.00 0.00 H ATOM 669 HE2 LYS A 46 23.017 53.681 11.565 1.00 0.00 H ATOM 670 HE3 LYS A 46 21.482 53.227 10.790 1.00 0.00 H ATOM 671 HZ1 LYS A 46 23.574 54.974 9.612 1.00 0.00 H ATOM 672 HZ2 LYS A 46 22.108 54.540 8.872 1.00 0.00 H ATOM 673 HZ3 LYS A 46 22.100 55.494 10.278 1.00 0.00 H ATOM 674 H LYS A 46 21.243 48.828 12.268 1.00 0.00 H ATOM 675 N GLY A 47 23.769 48.442 14.733 1.00 35.41 N ATOM 676 CA GLY A 47 24.497 48.202 15.964 1.00 38.09 C ATOM 677 C GLY A 47 24.054 49.001 17.171 1.00 40.06 C ATOM 678 O GLY A 47 24.562 48.785 18.269 1.00 40.99 O ATOM 679 HA3 GLY A 47 25.546 48.432 15.780 1.00 0.00 H ATOM 680 HA2 GLY A 47 24.396 47.145 16.210 1.00 0.00 H ATOM 681 H GLY A 47 23.046 47.761 14.424 1.00 0.00 H ATOM 682 N ARG A 48 23.112 49.920 16.984 1.00 41.36 N ATOM 683 CA ARG A 48 22.636 50.738 18.095 1.00 40.91 C ATOM 684 C ARG A 48 21.283 50.282 18.618 1.00 39.53 C ATOM 685 O ARG A 48 20.354 50.031 17.848 1.00 38.25 O ATOM 686 CB ARG A 48 22.557 52.207 17.681 1.00 44.26 C ATOM 687 CG ARG A 48 23.897 52.822 17.306 1.00 49.07 C ATOM 688 CD ARG A 48 24.872 52.784 18.475 1.00 54.27 C ATOM 689 NE ARG A 48 26.062 53.592 18.214 1.00 61.14 N ATOM 690 CZ ARG A 48 26.932 53.365 17.230 1.00 63.55 C ATOM 691 NH1 ARG A 48 26.760 52.344 16.396 1.00 63.59 N ATOM 692 NH2 ARG A 48 27.974 54.173 17.070 1.00 64.43 N ATOM 693 HA ARG A 48 23.358 50.620 18.903 1.00 0.00 H ATOM 694 HB2 ARG A 48 21.892 52.285 16.821 1.00 0.00 H ATOM 695 HB3 ARG A 48 22.141 52.775 18.513 1.00 0.00 H ATOM 696 HG2 ARG A 48 24.322 52.265 16.471 1.00 0.00 H ATOM 697 HG3 ARG A 48 23.741 53.859 17.008 1.00 0.00 H ATOM 698 HD2 ARG A 48 25.177 51.752 18.648 1.00 0.00 H ATOM 699 HD3 ARG A 48 24.372 53.168 19.365 1.00 0.00 H ATOM 700 HE ARG A 48 26.243 54.402 18.841 1.00 0.00 H ATOM 701 HH12 ARG A 48 27.445 52.176 15.632 1.00 0.00 H ATOM 702 HH11 ARG A 48 25.941 51.713 16.508 1.00 0.00 H ATOM 703 HH22 ARG A 48 28.654 53.998 16.303 1.00 0.00 H ATOM 704 HH21 ARG A 48 28.109 54.980 17.712 1.00 0.00 H ATOM 705 H ARG A 48 22.710 50.058 16.035 1.00 0.00 H ATOM 706 N TYR A 49 21.197 50.182 19.941 1.00 38.21 N ATOM 707 CA TYR A 49 19.992 49.760 20.645 1.00 36.16 C ATOM 708 C TYR A 49 19.287 50.970 21.270 1.00 34.28 C ATOM 709 O TYR A 49 19.915 51.748 21.988 1.00 31.11 O ATOM 710 CB TYR A 49 20.372 48.775 21.754 1.00 39.57 C ATOM 711 CG TYR A 49 20.947 47.467 21.262 1.00 43.75 C ATOM 712 CD1 TYR A 49 22.157 47.424 20.563 1.00 43.79 C ATOM 713 CD2 TYR A 49 20.253 46.272 21.452 1.00 46.07 C ATOM 714 CE1 TYR A 49 22.654 46.219 20.058 1.00 44.63 C ATOM 715 CE2 TYR A 49 20.743 45.065 20.954 1.00 46.84 C ATOM 716 CZ TYR A 49 21.937 45.046 20.257 1.00 45.21 C ATOM 717 OH TYR A 49 22.387 43.855 19.748 1.00 47.96 O ATOM 718 HA TYR A 49 19.318 49.283 19.934 1.00 0.00 H ATOM 719 HB3 TYR A 49 19.477 48.556 22.336 1.00 0.00 H ATOM 720 HB2 TYR A 49 21.113 49.253 22.395 1.00 0.00 H ATOM 721 HD2 TYR A 49 19.311 46.282 22.000 1.00 0.00 H ATOM 722 HE2 TYR A 49 20.187 44.141 21.113 1.00 0.00 H ATOM 723 HE1 TYR A 49 23.597 46.200 19.512 1.00 0.00 H ATOM 724 HD1 TYR A 49 22.721 48.344 20.409 1.00 0.00 H ATOM 725 HH TYR A 49 23.247 44.001 19.279 1.00 0.00 H ATOM 726 H TYR A 49 22.037 50.418 20.506 1.00 0.00 H ATOM 727 N GLY A 50 17.990 51.132 21.012 1.00 32.32 N ATOM 728 CA GLY A 50 17.292 52.265 21.598 1.00 29.13 C ATOM 729 C GLY A 50 15.887 52.563 21.113 1.00 30.04 C ATOM 730 O GLY A 50 15.265 51.769 20.407 1.00 30.70 O ATOM 731 HA3 GLY A 50 17.896 53.152 21.408 1.00 0.00 H ATOM 732 HA2 GLY A 50 17.234 52.090 22.672 1.00 0.00 H ATOM 733 H GLY A 50 17.485 50.459 20.401 1.00 0.00 H ATOM 734 N LEU A 51 15.385 53.731 21.508 1.00 29.79 N ATOM 735 CA LEU A 51 14.047 54.170 21.141 1.00 27.94 C ATOM 736 C LEU A 51 14.053 54.999 19.863 1.00 27.37 C ATOM 737 O LEU A 51 15.055 55.615 19.506 1.00 26.41 O ATOM 738 CB LEU A 51 13.443 55.000 22.274 1.00 29.48 C ATOM 739 CG LEU A 51 13.236 54.330 23.632 1.00 29.99 C ATOM 740 CD1 LEU A 51 12.940 55.400 24.670 1.00 30.24 C ATOM 741 CD2 LEU A 51 12.093 53.320 23.556 1.00 28.20 C ATOM 742 HA LEU A 51 13.447 53.277 20.966 1.00 0.00 H ATOM 743 HB2 LEU A 51 14.099 55.856 22.433 1.00 0.00 H ATOM 744 HB3 LEU A 51 12.468 55.349 21.934 1.00 0.00 H ATOM 745 HG LEU A 51 14.140 53.792 23.918 1.00 0.00 H ATOM 746 HD21 LEU A 51 11.175 53.833 23.268 1.00 0.00 H ATOM 747 HD22 LEU A 51 12.332 52.557 22.815 1.00 0.00 H ATOM 748 HD23 LEU A 51 11.958 52.852 24.531 1.00 0.00 H ATOM 749 HD11 LEU A 51 13.779 56.093 24.725 1.00 0.00 H ATOM 750 HD12 LEU A 51 12.038 55.942 24.385 1.00 0.00 H ATOM 751 HD13 LEU A 51 12.791 54.930 25.642 1.00 0.00 H ATOM 752 H LEU A 51 15.971 54.353 22.101 1.00 0.00 H ATOM 753 N PHE A 52 12.915 55.012 19.182 1.00 25.65 N ATOM 754 CA PHE A 52 12.771 55.772 17.953 1.00 24.81 C ATOM 755 C PHE A 52 11.280 55.996 17.696 1.00 25.09 C ATOM 756 O PHE A 52 10.430 55.314 18.275 1.00 24.69 O ATOM 757 CB PHE A 52 13.386 55.002 16.787 1.00 24.11 C ATOM 758 CG PHE A 52 12.726 53.674 16.529 1.00 24.48 C ATOM 759 CD1 PHE A 52 13.098 52.543 17.251 1.00 24.85 C ATOM 760 CD2 PHE A 52 11.705 53.562 15.589 1.00 21.45 C ATOM 761 CE1 PHE A 52 12.460 51.318 17.037 1.00 25.47 C ATOM 762 CE2 PHE A 52 11.062 52.339 15.373 1.00 22.18 C ATOM 763 CZ PHE A 52 11.440 51.221 16.095 1.00 23.08 C ATOM 764 HA PHE A 52 13.284 56.729 18.046 1.00 0.00 H ATOM 765 HB2 PHE A 52 13.300 55.611 15.887 1.00 0.00 H ATOM 766 HB3 PHE A 52 14.439 54.827 17.006 1.00 0.00 H ATOM 767 HD2 PHE A 52 11.403 54.438 15.015 1.00 0.00 H ATOM 768 HE2 PHE A 52 10.263 52.267 14.635 1.00 0.00 H ATOM 769 HZ PHE A 52 10.940 50.267 15.927 1.00 0.00 H ATOM 770 HE1 PHE A 52 12.761 50.439 17.607 1.00 0.00 H ATOM 771 HD1 PHE A 52 13.895 52.614 17.991 1.00 0.00 H ATOM 772 H PHE A 52 12.105 54.464 19.537 1.00 0.00 H ATOM 773 N PRO A 53 10.942 56.956 16.828 1.00 24.84 N ATOM 774 CA PRO A 53 9.531 57.223 16.535 1.00 26.00 C ATOM 775 C PRO A 53 8.907 56.107 15.700 1.00 26.92 C ATOM 776 O PRO A 53 9.378 55.813 14.605 1.00 29.45 O ATOM 777 CB PRO A 53 9.579 58.548 15.771 1.00 25.81 C ATOM 778 CG PRO A 53 10.839 59.185 16.247 1.00 26.25 C ATOM 779 CD PRO A 53 11.795 58.019 16.281 1.00 25.29 C ATOM 780 HA PRO A 53 8.911 57.273 17.430 1.00 0.00 H ATOM 781 HD3 PRO A 53 12.153 57.768 15.283 1.00 0.00 H ATOM 782 HD2 PRO A 53 12.646 58.221 16.931 1.00 0.00 H ATOM 783 HG3 PRO A 53 10.712 59.621 17.238 1.00 0.00 H ATOM 784 HG2 PRO A 53 11.179 59.955 15.554 1.00 0.00 H ATOM 785 HB2 PRO A 53 9.613 58.376 14.695 1.00 0.00 H ATOM 786 HB3 PRO A 53 8.715 59.167 16.012 1.00 0.00 H ATOM 787 N ALA A 54 7.849 55.494 16.215 1.00 27.50 N ATOM 788 CA ALA A 54 7.169 54.416 15.511 1.00 29.29 C ATOM 789 C ALA A 54 6.697 54.850 14.124 1.00 30.85 C ATOM 790 O ALA A 54 6.752 54.075 13.168 1.00 32.51 O ATOM 791 CB ALA A 54 5.981 53.936 16.331 1.00 29.13 C ATOM 792 HA ALA A 54 7.883 53.603 15.379 1.00 0.00 H ATOM 793 HB1 ALA A 54 6.331 53.573 17.297 1.00 0.00 H ATOM 794 HB2 ALA A 54 5.287 54.763 16.482 1.00 0.00 H ATOM 795 HB3 ALA A 54 5.476 53.129 15.799 1.00 0.00 H ATOM 796 H ALA A 54 7.496 55.792 17.147 1.00 0.00 H ATOM 797 N ASN A 55 6.242 56.096 14.023 1.00 29.88 N ATOM 798 CA ASN A 55 5.734 56.659 12.777 1.00 28.90 C ATOM 799 C ASN A 55 6.809 56.961 11.722 1.00 27.86 C ATOM 800 O ASN A 55 6.499 57.398 10.612 1.00 26.44 O ATOM 801 CB ASN A 55 4.918 57.930 13.094 1.00 32.27 C ATOM 802 CG ASN A 55 5.673 58.920 14.009 1.00 39.05 C ATOM 803 OD1 ASN A 55 6.308 58.525 14.994 1.00 41.99 O ATOM 804 ND2 ASN A 55 5.580 60.211 13.694 1.00 38.49 N ATOM 805 HA ASN A 55 5.105 55.891 12.326 1.00 0.00 H ATOM 806 HB2 ASN A 55 4.682 58.434 12.157 1.00 0.00 H ATOM 807 HB3 ASN A 55 3.993 57.635 13.590 1.00 0.00 H ATOM 808 HD22 ASN A 55 5.037 60.504 12.857 1.00 0.00 H ATOM 809 HD21 ASN A 55 6.051 60.926 14.285 1.00 0.00 H ATOM 810 H ASN A 55 6.249 56.697 14.872 1.00 0.00 H ATOM 811 N TYR A 56 8.069 56.720 12.061 1.00 26.57 N ATOM 812 CA TYR A 56 9.159 56.982 11.126 1.00 26.32 C ATOM 813 C TYR A 56 9.627 55.730 10.397 1.00 26.98 C ATOM 814 O TYR A 56 10.602 55.766 9.640 1.00 27.12 O ATOM 815 CB TYR A 56 10.342 57.611 11.862 1.00 24.76 C ATOM 816 CG TYR A 56 10.278 59.114 11.936 1.00 26.48 C ATOM 817 CD1 TYR A 56 9.154 59.757 12.450 1.00 26.85 C ATOM 818 CD2 TYR A 56 11.342 59.896 11.492 1.00 25.49 C ATOM 819 CE1 TYR A 56 9.094 61.141 12.520 1.00 28.27 C ATOM 820 CE2 TYR A 56 11.291 61.284 11.554 1.00 27.60 C ATOM 821 CZ TYR A 56 10.167 61.899 12.070 1.00 28.53 C ATOM 822 OH TYR A 56 10.111 63.268 12.141 1.00 29.22 O ATOM 823 HA TYR A 56 8.769 57.670 10.376 1.00 0.00 H ATOM 824 HB3 TYR A 56 11.259 57.330 11.344 1.00 0.00 H ATOM 825 HB2 TYR A 56 10.365 57.217 12.878 1.00 0.00 H ATOM 826 HD2 TYR A 56 12.231 59.411 11.089 1.00 0.00 H ATOM 827 HE2 TYR A 56 12.130 61.882 11.199 1.00 0.00 H ATOM 828 HE1 TYR A 56 8.209 61.631 12.926 1.00 0.00 H ATOM 829 HD1 TYR A 56 8.310 59.164 12.802 1.00 0.00 H ATOM 830 HH TYR A 56 10.850 63.598 12.711 1.00 0.00 H ATOM 831 H TYR A 56 8.283 56.340 13.005 1.00 0.00 H ATOM 832 N VAL A 57 8.930 54.623 10.625 1.00 25.69 N ATOM 833 CA VAL A 57 9.289 53.361 9.999 1.00 27.25 C ATOM 834 C VAL A 57 8.037 52.649 9.505 1.00 30.02 C ATOM 835 O VAL A 57 6.921 52.999 9.893 1.00 30.08 O ATOM 836 CB VAL A 57 10.019 52.413 11.009 1.00 25.86 C ATOM 837 CG1 VAL A 57 11.145 53.166 11.735 1.00 20.95 C ATOM 838 CG2 VAL A 57 9.021 51.840 12.018 1.00 21.78 C ATOM 839 HA VAL A 57 9.956 53.588 9.168 1.00 0.00 H ATOM 840 HB VAL A 57 10.461 51.587 10.452 1.00 0.00 H ATOM 841 HG11 VAL A 57 11.867 53.530 11.004 1.00 0.00 H ATOM 842 HG12 VAL A 57 10.723 54.009 12.281 1.00 0.00 H ATOM 843 HG13 VAL A 57 11.641 52.491 12.433 1.00 0.00 H ATOM 844 HG21 VAL A 57 8.555 52.656 12.569 1.00 0.00 H ATOM 845 HG22 VAL A 57 8.255 51.274 11.488 1.00 0.00 H ATOM 846 HG23 VAL A 57 9.545 51.183 12.713 1.00 0.00 H ATOM 847 H VAL A 57 8.111 54.660 11.264 1.00 0.00 H ATOM 848 N GLU A 58 8.221 51.660 8.636 1.00 32.56 N ATOM 849 CA GLU A 58 7.095 50.876 8.146 1.00 33.16 C ATOM 850 C GLU A 58 7.406 49.402 8.371 1.00 33.30 C ATOM 851 O GLU A 58 8.393 48.883 7.848 1.00 34.36 O ATOM 852 CB GLU A 58 6.838 51.116 6.661 1.00 33.98 C ATOM 853 CG GLU A 58 5.676 50.279 6.138 1.00 38.44 C ATOM 854 CD GLU A 58 5.340 50.543 4.678 1.00 42.26 C ATOM 855 OE1 GLU A 58 4.886 51.666 4.351 1.00 43.15 O ATOM 856 OE2 GLU A 58 5.532 49.618 3.853 1.00 45.66 O ATOM 857 HA GLU A 58 6.199 51.178 8.688 1.00 0.00 H ATOM 858 HB2 GLU A 58 6.608 52.171 6.510 1.00 0.00 H ATOM 859 HB3 GLU A 58 7.737 50.858 6.102 1.00 0.00 H ATOM 860 HG2 GLU A 58 5.934 49.226 6.247 1.00 0.00 H ATOM 861 HG3 GLU A 58 4.794 50.500 6.740 1.00 0.00 H ATOM 862 H GLU A 58 9.182 51.443 8.301 1.00 0.00 H ATOM 863 N LEU A 59 6.574 48.734 9.162 1.00 31.70 N ATOM 864 CA LEU A 59 6.774 47.320 9.429 1.00 32.61 C ATOM 865 C LEU A 59 6.904 46.551 8.114 1.00 34.10 C ATOM 866 O LEU A 59 6.168 46.796 7.161 1.00 33.06 O ATOM 867 CB LEU A 59 5.613 46.786 10.263 1.00 30.93 C ATOM 868 CG LEU A 59 5.614 47.386 11.670 1.00 31.44 C ATOM 869 CD1 LEU A 59 4.320 47.069 12.391 1.00 30.42 C ATOM 870 CD2 LEU A 59 6.805 46.837 12.430 1.00 31.92 C ATOM 871 HA LEU A 59 7.697 47.183 9.993 1.00 0.00 H ATOM 872 HB2 LEU A 59 4.675 47.040 9.769 1.00 0.00 H ATOM 873 HB3 LEU A 59 5.700 45.702 10.339 1.00 0.00 H ATOM 874 HG LEU A 59 5.692 48.471 11.605 1.00 0.00 H ATOM 875 HD21 LEU A 59 6.728 45.751 12.489 1.00 0.00 H ATOM 876 HD22 LEU A 59 7.723 47.109 11.910 1.00 0.00 H ATOM 877 HD23 LEU A 59 6.818 47.257 13.436 1.00 0.00 H ATOM 878 HD11 LEU A 59 3.482 47.485 11.831 1.00 0.00 H ATOM 879 HD12 LEU A 59 4.205 45.988 12.469 1.00 0.00 H ATOM 880 HD13 LEU A 59 4.345 47.506 13.389 1.00 0.00 H ATOM 881 H LEU A 59 5.769 49.229 9.596 1.00 0.00 H ATOM 882 N ARG A 60 7.856 45.629 8.068 1.00 36.48 N ATOM 883 CA ARG A 60 8.101 44.843 6.868 1.00 40.40 C ATOM 884 C ARG A 60 8.900 43.613 7.269 1.00 43.55 C ATOM 885 O ARG A 60 10.036 43.727 7.733 1.00 43.74 O ATOM 886 CB ARG A 60 8.886 45.685 5.853 1.00 38.33 C ATOM 887 CG ARG A 60 9.117 45.022 4.510 1.00 39.76 C ATOM 888 CD ARG A 60 9.712 46.010 3.509 1.00 40.35 C ATOM 889 NE ARG A 60 8.821 47.149 3.293 1.00 44.20 N ATOM 890 CZ ARG A 60 9.138 48.238 2.596 1.00 45.52 C ATOM 891 NH1 ARG A 60 10.335 48.358 2.033 1.00 44.10 N ATOM 892 NH2 ARG A 60 8.254 49.219 2.469 1.00 46.94 N ATOM 893 HA ARG A 60 7.161 44.540 6.406 1.00 0.00 H ATOM 894 HB2 ARG A 60 8.335 46.610 5.683 1.00 0.00 H ATOM 895 HB3 ARG A 60 9.859 45.917 6.287 1.00 0.00 H ATOM 896 HG2 ARG A 60 9.804 44.186 4.638 1.00 0.00 H ATOM 897 HG3 ARG A 60 8.166 44.653 4.126 1.00 0.00 H ATOM 898 HD2 ARG A 60 9.873 45.500 2.559 1.00 0.00 H ATOM 899 HD3 ARG A 60 10.666 46.373 3.892 1.00 0.00 H ATOM 900 HE ARG A 60 7.871 47.105 3.714 1.00 0.00 H ATOM 901 HH12 ARG A 60 10.571 49.213 1.491 1.00 0.00 H ATOM 902 HH11 ARG A 60 11.036 47.596 2.134 1.00 0.00 H ATOM 903 HH22 ARG A 60 8.498 50.071 1.925 1.00 0.00 H ATOM 904 HH21 ARG A 60 7.317 49.136 2.913 1.00 0.00 H ATOM 905 H ARG A 60 8.442 45.463 8.911 1.00 0.00 H ATOM 906 N GLN A 61 8.299 42.439 7.102 1.00 47.97 N ATOM 907 CA GLN A 61 8.964 41.197 7.468 1.00 52.73 C ATOM 908 C GLN A 61 9.815 40.689 6.303 1.00 53.32 C ATOM 909 O GLN A 61 9.509 41.047 5.143 1.00 53.18 O ATOM 910 CB GLN A 61 7.919 40.144 7.866 1.00 57.59 C ATOM 911 CG GLN A 61 8.474 38.985 8.706 1.00 65.20 C ATOM 912 CD GLN A 61 7.461 37.855 8.929 1.00 69.05 C ATOM 913 OE1 GLN A 61 6.352 38.079 9.427 1.00 69.70 O ATOM 914 NE2 GLN A 61 7.849 36.633 8.564 1.00 69.65 N ATOM 915 HA GLN A 61 9.619 41.383 8.319 1.00 0.00 H ATOM 916 OXT GLN A 61 10.776 39.934 6.563 1.00 52.85 O ATOM 917 HB2 GLN A 61 7.138 40.640 8.442 1.00 0.00 H ATOM 918 HB3 GLN A 61 7.489 39.729 6.955 1.00 0.00 H ATOM 919 HG2 GLN A 61 9.344 38.573 8.195 1.00 0.00 H ATOM 920 HG3 GLN A 61 8.776 39.376 9.678 1.00 0.00 H ATOM 921 HE22 GLN A 61 8.791 36.489 8.149 1.00 0.00 H ATOM 922 HE21 GLN A 61 7.209 35.824 8.695 1.00 0.00 H ATOM 923 H GLN A 61 7.339 42.407 6.704 1.00 0.00 H TER 924 GLN A 61 ATOM 925 N ASP B 3 10.446 92.595 15.834 1.00 46.99 N ATOM 926 CA ASP B 3 11.803 92.100 15.445 1.00 48.14 C ATOM 927 C ASP B 3 12.004 90.617 15.704 1.00 45.99 C ATOM 928 O ASP B 3 12.560 89.907 14.867 1.00 46.37 O ATOM 929 CB ASP B 3 12.899 92.871 16.180 1.00 50.74 C ATOM 930 CG ASP B 3 13.430 94.031 15.372 1.00 55.01 C ATOM 931 OD1 ASP B 3 12.661 94.990 15.136 1.00 58.72 O ATOM 932 OD2 ASP B 3 14.613 93.979 14.966 1.00 56.78 O ATOM 933 HA ASP B 3 11.871 92.266 14.370 1.00 0.00 H ATOM 934 HB2 ASP B 3 12.491 93.254 17.115 1.00 0.00 H ATOM 935 HB3 ASP B 3 13.722 92.189 16.396 1.00 0.00 H ATOM 936 HN3 ASP B 3 10.297 92.433 16.850 1.00 0.00 H ATOM 937 HN2 ASP B 3 9.722 92.082 15.291 1.00 0.00 H ATOM 938 HN1 ASP B 3 10.378 93.613 15.630 1.00 0.00 H ATOM 939 N LEU B 4 11.578 90.151 16.872 1.00 42.65 N ATOM 940 CA LEU B 4 11.726 88.741 17.188 1.00 40.33 C ATOM 941 C LEU B 4 10.480 87.979 16.758 1.00 39.16 C ATOM 942 O LEU B 4 10.414 86.757 16.896 1.00 39.62 O ATOM 943 CB LEU B 4 11.989 88.542 18.682 1.00 38.40 C ATOM 944 CG LEU B 4 13.325 89.084 19.199 1.00 39.43 C ATOM 945 CD1 LEU B 4 13.572 88.563 20.611 1.00 40.64 C ATOM 946 CD2 LEU B 4 14.458 88.649 18.283 1.00 38.13 C ATOM 947 HA LEU B 4 12.584 88.351 16.641 1.00 0.00 H ATOM 948 HB2 LEU B 4 11.190 89.039 19.232 1.00 0.00 H ATOM 949 HB3 LEU B 4 11.959 87.472 18.888 1.00 0.00 H ATOM 950 HG LEU B 4 13.286 90.173 19.215 1.00 0.00 H ATOM 951 HD21 LEU B 4 14.502 87.560 18.253 1.00 0.00 H ATOM 952 HD22 LEU B 4 14.280 89.035 17.279 1.00 0.00 H ATOM 953 HD23 LEU B 4 15.401 89.041 18.663 1.00 0.00 H ATOM 954 HD11 LEU B 4 12.766 88.895 21.266 1.00 0.00 H ATOM 955 HD12 LEU B 4 13.603 87.474 20.595 1.00 0.00 H ATOM 956 HD13 LEU B 4 14.523 88.949 20.978 1.00 0.00 H ATOM 957 H LEU B 4 11.139 90.795 17.560 1.00 0.00 H ATOM 958 N GLY B 5 9.507 88.718 16.223 1.00 37.32 N ATOM 959 CA GLY B 5 8.263 88.130 15.758 1.00 34.62 C ATOM 960 C GLY B 5 7.621 87.205 16.770 1.00 34.97 C ATOM 961 O GLY B 5 7.677 87.451 17.971 1.00 35.02 O ATOM 962 HA3 GLY B 5 8.467 87.562 14.850 1.00 0.00 H ATOM 963 HA2 GLY B 5 7.563 88.935 15.532 1.00 0.00 H ATOM 964 H GLY B 5 9.643 89.745 16.136 1.00 0.00 H ATOM 965 N ILE B 6 7.008 86.134 16.280 1.00 34.29 N ATOM 966 CA ILE B 6 6.363 85.155 17.143 1.00 34.99 C ATOM 967 C ILE B 6 7.467 84.307 17.773 1.00 34.44 C ATOM 968 O ILE B 6 8.308 83.745 17.070 1.00 34.03 O ATOM 969 CB ILE B 6 5.413 84.256 16.321 1.00 37.45 C ATOM 970 CG1 ILE B 6 4.403 85.136 15.574 1.00 40.09 C ATOM 971 CG2 ILE B 6 4.708 83.253 17.230 1.00 33.40 C ATOM 972 CD1 ILE B 6 3.493 84.372 14.606 1.00 44.17 C ATOM 973 HA ILE B 6 5.771 85.655 17.910 1.00 0.00 H ATOM 974 HB ILE B 6 5.989 83.688 15.591 1.00 0.00 H ATOM 975 HG12 ILE B 6 3.774 85.635 16.311 1.00 0.00 H ATOM 976 HG13 ILE B 6 4.956 85.883 15.005 1.00 0.00 H ATOM 977 HD11 ILE B 6 4.103 83.876 13.851 1.00 0.00 H ATOM 978 HD12 ILE B 6 2.920 83.628 15.159 1.00 0.00 H ATOM 979 HD13 ILE B 6 2.811 85.071 14.122 1.00 0.00 H ATOM 980 HG21 ILE B 6 5.451 82.627 17.723 1.00 0.00 H ATOM 981 HG22 ILE B 6 4.128 83.790 17.980 1.00 0.00 H ATOM 982 HG23 ILE B 6 4.043 82.629 16.633 1.00 0.00 H ATOM 983 H ILE B 6 6.988 85.990 15.250 1.00 0.00 H ATOM 984 N THR B 7 7.463 84.217 19.099 1.00 33.79 N ATOM 985 CA THR B 7 8.487 83.465 19.810 1.00 30.78 C ATOM 986 C THR B 7 7.936 82.260 20.563 1.00 30.32 C ATOM 987 O THR B 7 6.737 82.162 20.835 1.00 28.58 O ATOM 988 CB THR B 7 9.236 84.377 20.805 1.00 31.49 C ATOM 989 OG1 THR B 7 8.303 84.926 21.743 1.00 34.21 O ATOM 990 CG2 THR B 7 9.919 85.520 20.074 1.00 28.86 C ATOM 991 HA THR B 7 9.169 83.093 19.045 1.00 0.00 H ATOM 992 HB THR B 7 9.988 83.780 21.321 1.00 0.00 H ATOM 993 HG1 THR B 7 7.861 84.190 22.236 1.00 0.00 H ATOM 994 HG23 THR B 7 10.633 85.116 19.356 1.00 0.00 H ATOM 995 HG21 THR B 7 9.170 86.113 19.549 1.00 0.00 H ATOM 996 HG22 THR B 7 10.443 86.149 20.794 1.00 0.00 H ATOM 997 H THR B 7 6.713 84.693 19.640 1.00 0.00 H ATOM 998 N ALA B 8 8.831 81.340 20.896 1.00 29.51 N ATOM 999 CA ALA B 8 8.458 80.132 21.608 1.00 29.84 C ATOM 1000 C ALA B 8 9.651 79.608 22.394 1.00 31.23 C ATOM 1001 O ALA B 8 10.792 80.024 22.175 1.00 32.60 O ATOM 1002 CB ALA B 8 7.985 79.073 20.615 1.00 29.17 C ATOM 1003 HA ALA B 8 7.647 80.360 22.300 1.00 0.00 H ATOM 1004 HB1 ALA B 8 7.122 79.451 20.067 1.00 0.00 H ATOM 1005 HB2 ALA B 8 8.790 78.847 19.916 1.00 0.00 H ATOM 1006 HB3 ALA B 8 7.706 78.168 21.156 1.00 0.00 H ATOM 1007 H ALA B 8 9.828 81.488 20.640 1.00 0.00 H ATOM 1008 N VAL B 9 9.382 78.701 23.319 1.00 31.00 N ATOM 1009 CA VAL B 9 10.444 78.104 24.103 1.00 34.20 C ATOM 1010 C VAL B 9 10.429 76.608 23.821 1.00 33.66 C ATOM 1011 O VAL B 9 9.366 75.997 23.742 1.00 35.27 O ATOM 1012 CB VAL B 9 10.240 78.364 25.615 1.00 35.41 C ATOM 1013 CG1 VAL B 9 10.289 79.859 25.890 1.00 35.95 C ATOM 1014 CG2 VAL B 9 8.905 77.805 26.062 1.00 39.26 C ATOM 1015 HA VAL B 9 11.402 78.545 23.829 1.00 0.00 H ATOM 1016 HB VAL B 9 11.036 77.869 26.171 1.00 0.00 H ATOM 1017 HG11 VAL B 9 11.258 80.252 25.583 1.00 0.00 H ATOM 1018 HG12 VAL B 9 9.499 80.357 25.328 1.00 0.00 H ATOM 1019 HG13 VAL B 9 10.145 80.036 26.956 1.00 0.00 H ATOM 1020 HG21 VAL B 9 8.104 78.289 25.503 1.00 0.00 H ATOM 1021 HG22 VAL B 9 8.882 76.731 25.876 1.00 0.00 H ATOM 1022 HG23 VAL B 9 8.772 77.994 27.127 1.00 0.00 H ATOM 1023 H VAL B 9 8.397 78.413 23.485 1.00 0.00 H ATOM 1024 N ALA B 10 11.606 76.020 23.651 1.00 34.80 N ATOM 1025 CA ALA B 10 11.696 74.592 23.372 1.00 34.80 C ATOM 1026 C ALA B 10 11.286 73.776 24.594 1.00 34.99 C ATOM 1027 O ALA B 10 11.735 74.033 25.714 1.00 34.06 O ATOM 1028 CB ALA B 10 13.113 74.229 22.944 1.00 30.26 C ATOM 1029 HA ALA B 10 11.011 74.356 22.558 1.00 0.00 H ATOM 1030 HB1 ALA B 10 13.374 74.787 22.044 1.00 0.00 H ATOM 1031 HB2 ALA B 10 13.809 74.482 23.744 1.00 0.00 H ATOM 1032 HB3 ALA B 10 13.167 73.160 22.739 1.00 0.00 H ATOM 1033 H ALA B 10 12.476 76.585 23.718 1.00 0.00 H ATOM 1034 N LEU B 11 10.428 72.791 24.368 1.00 36.48 N ATOM 1035 CA LEU B 11 9.956 71.924 25.440 1.00 37.34 C ATOM 1036 C LEU B 11 10.826 70.682 25.546 1.00 38.69 C ATOM 1037 O LEU B 11 11.097 70.193 26.646 1.00 40.09 O ATOM 1038 CB LEU B 11 8.512 71.487 25.172 1.00 37.19 C ATOM 1039 CG LEU B 11 7.448 72.582 25.138 1.00 38.13 C ATOM 1040 CD1 LEU B 11 6.160 72.032 24.545 1.00 38.57 C ATOM 1041 CD2 LEU B 11 7.228 73.118 26.549 1.00 37.75 C ATOM 1042 HA LEU B 11 10.007 72.486 26.372 1.00 0.00 H ATOM 1043 HB2 LEU B 11 8.495 70.983 24.206 1.00 0.00 H ATOM 1044 HB3 LEU B 11 8.232 70.781 25.954 1.00 0.00 H ATOM 1045 HG LEU B 11 7.781 73.406 24.507 1.00 0.00 H ATOM 1046 HD21 LEU B 11 6.896 72.307 27.197 1.00 0.00 H ATOM 1047 HD22 LEU B 11 8.163 73.529 26.930 1.00 0.00 H ATOM 1048 HD23 LEU B 11 6.469 73.900 26.525 1.00 0.00 H ATOM 1049 HD11 LEU B 11 6.349 71.681 23.530 1.00 0.00 H ATOM 1050 HD12 LEU B 11 5.805 71.203 25.157 1.00 0.00 H ATOM 1051 HD13 LEU B 11 5.406 72.819 24.524 1.00 0.00 H ATOM 1052 H LEU B 11 10.083 72.633 23.400 1.00 0.00 H ATOM 1053 N TYR B 12 11.269 70.176 24.400 1.00 38.26 N ATOM 1054 CA TYR B 12 12.068 68.961 24.379 1.00 37.97 C ATOM 1055 C TYR B 12 13.301 69.078 23.522 1.00 38.40 C ATOM 1056 O TYR B 12 13.462 70.031 22.769 1.00 38.68 O ATOM 1057 CB TYR B 12 11.236 67.806 23.838 1.00 36.86 C ATOM 1058 CG TYR B 12 9.813 67.812 24.313 1.00 36.99 C ATOM 1059 CD1 TYR B 12 9.503 67.562 25.650 1.00 37.91 C ATOM 1060 CD2 TYR B 12 8.771 68.087 23.431 1.00 35.70 C ATOM 1061 CE1 TYR B 12 8.184 67.586 26.096 1.00 38.23 C ATOM 1062 CE2 TYR B 12 7.450 68.116 23.868 1.00 37.58 C ATOM 1063 CZ TYR B 12 7.166 67.865 25.201 1.00 38.45 C ATOM 1064 OH TYR B 12 5.863 67.895 25.641 1.00 42.32 O ATOM 1065 HA TYR B 12 12.381 68.786 25.408 1.00 0.00 H ATOM 1066 HB3 TYR B 12 11.700 66.871 24.152 1.00 0.00 H ATOM 1067 HB2 TYR B 12 11.236 67.862 22.749 1.00 0.00 H ATOM 1068 HD2 TYR B 12 8.994 68.283 22.382 1.00 0.00 H ATOM 1069 HE2 TYR B 12 6.645 68.335 23.167 1.00 0.00 H ATOM 1070 HE1 TYR B 12 7.955 67.386 27.143 1.00 0.00 H ATOM 1071 HD1 TYR B 12 10.305 67.345 26.356 1.00 0.00 H ATOM 1072 HH TYR B 12 5.482 68.794 25.478 1.00 0.00 H ATOM 1073 H TYR B 12 11.041 70.655 23.506 1.00 0.00 H ATOM 1074 N ASP B 13 14.171 68.084 23.644 1.00 39.73 N ATOM 1075 CA ASP B 13 15.383 68.037 22.851 1.00 41.11 C ATOM 1076 C ASP B 13 14.966 67.613 21.456 1.00 38.79 C ATOM 1077 O ASP B 13 14.071 66.782 21.292 1.00 38.83 O ATOM 1078 CB ASP B 13 16.354 66.991 23.398 1.00 45.75 C ATOM 1079 CG ASP B 13 16.725 67.234 24.839 1.00 50.75 C ATOM 1080 OD1 ASP B 13 15.810 67.263 25.694 1.00 52.91 O ATOM 1081 OD2 ASP B 13 17.936 67.391 25.113 1.00 52.83 O ATOM 1082 HA ASP B 13 15.879 69.007 22.866 1.00 0.00 H ATOM 1083 HB2 ASP B 13 15.889 66.009 23.319 1.00 0.00 H ATOM 1084 HB3 ASP B 13 17.263 67.011 22.796 1.00 0.00 H ATOM 1085 H ASP B 13 13.979 67.321 24.324 1.00 0.00 H ATOM 1086 N TYR B 14 15.608 68.192 20.453 1.00 36.95 N ATOM 1087 CA TYR B 14 15.325 67.833 19.075 1.00 34.88 C ATOM 1088 C TYR B 14 16.572 68.015 18.223 1.00 34.67 C ATOM 1089 O TYR B 14 17.219 69.062 18.262 1.00 33.83 O ATOM 1090 CB TYR B 14 14.189 68.680 18.496 1.00 33.35 C ATOM 1091 CG TYR B 14 13.861 68.272 17.079 1.00 32.49 C ATOM 1092 CD1 TYR B 14 13.175 67.081 16.817 1.00 32.65 C ATOM 1093 CD2 TYR B 14 14.322 69.023 15.993 1.00 30.92 C ATOM 1094 CE1 TYR B 14 12.963 66.645 15.505 1.00 32.37 C ATOM 1095 CE2 TYR B 14 14.121 68.599 14.683 1.00 30.45 C ATOM 1096 CZ TYR B 14 13.444 67.410 14.445 1.00 33.39 C ATOM 1097 OH TYR B 14 13.265 66.982 13.148 1.00 34.53 O ATOM 1098 HA TYR B 14 15.015 66.788 19.063 1.00 0.00 H ATOM 1099 HB3 TYR B 14 14.489 69.728 18.503 1.00 0.00 H ATOM 1100 HB2 TYR B 14 13.301 68.554 19.116 1.00 0.00 H ATOM 1101 HD2 TYR B 14 14.849 69.959 16.176 1.00 0.00 H ATOM 1102 HE2 TYR B 14 14.492 69.196 13.850 1.00 0.00 H ATOM 1103 HE1 TYR B 14 12.427 65.716 15.314 1.00 0.00 H ATOM 1104 HD1 TYR B 14 12.800 66.484 17.648 1.00 0.00 H ATOM 1105 HH TYR B 14 14.148 66.852 12.720 1.00 0.00 H ATOM 1106 H TYR B 14 16.327 68.916 20.656 1.00 0.00 H ATOM 1107 N GLN B 15 16.914 66.981 17.464 1.00 34.77 N ATOM 1108 CA GLN B 15 18.073 67.039 16.590 1.00 35.61 C ATOM 1109 C GLN B 15 17.612 67.146 15.155 1.00 36.79 C ATOM 1110 O GLN B 15 16.808 66.339 14.690 1.00 38.21 O ATOM 1111 CB GLN B 15 18.944 65.796 16.752 1.00 35.68 C ATOM 1112 CG GLN B 15 19.885 65.856 17.932 1.00 39.03 C ATOM 1113 CD GLN B 15 20.887 66.989 17.803 1.00 40.28 C ATOM 1114 OE1 GLN B 15 21.534 67.146 16.761 1.00 40.12 O ATOM 1115 NE2 GLN B 15 21.023 67.784 18.859 1.00 39.44 N ATOM 1116 HA GLN B 15 18.666 67.913 16.860 1.00 0.00 H ATOM 1117 HB2 GLN B 15 18.290 64.933 16.878 1.00 0.00 H ATOM 1118 HB3 GLN B 15 19.537 65.672 15.846 1.00 0.00 H ATOM 1119 HG2 GLN B 15 19.301 66.004 18.841 1.00 0.00 H ATOM 1120 HG3 GLN B 15 20.427 64.913 17.999 1.00 0.00 H ATOM 1121 HE22 GLN B 15 20.457 67.613 19.715 1.00 0.00 H ATOM 1122 HE21 GLN B 15 21.695 68.577 18.830 1.00 0.00 H ATOM 1123 H GLN B 15 16.342 66.113 17.496 1.00 0.00 H ATOM 1124 N ALA B 16 18.111 68.163 14.461 1.00 37.64 N ATOM 1125 CA ALA B 16 17.756 68.369 13.071 1.00 37.52 C ATOM 1126 C ALA B 16 18.041 67.081 12.301 1.00 39.59 C ATOM 1127 O ALA B 16 19.113 66.488 12.437 1.00 37.80 O ATOM 1128 CB ALA B 16 18.573 69.525 12.494 1.00 36.71 C ATOM 1129 HA ALA B 16 16.699 68.620 12.986 1.00 0.00 H ATOM 1130 HB1 ALA B 16 18.364 70.434 13.059 1.00 0.00 H ATOM 1131 HB2 ALA B 16 19.635 69.289 12.564 1.00 0.00 H ATOM 1132 HB3 ALA B 16 18.301 69.674 11.449 1.00 0.00 H ATOM 1133 H ALA B 16 18.768 68.823 14.923 1.00 0.00 H ATOM 1134 N ALA B 17 17.074 66.638 11.506 1.00 42.16 N ATOM 1135 CA ALA B 17 17.265 65.436 10.711 1.00 44.19 C ATOM 1136 C ALA B 17 17.976 65.816 9.413 1.00 47.10 C ATOM 1137 O ALA B 17 18.630 64.978 8.793 1.00 49.81 O ATOM 1138 CB ALA B 17 15.926 64.786 10.413 1.00 43.67 C ATOM 1139 HA ALA B 17 17.872 64.719 11.264 1.00 0.00 H ATOM 1140 HB1 ALA B 17 15.436 64.521 11.350 1.00 0.00 H ATOM 1141 HB2 ALA B 17 15.300 65.485 9.859 1.00 0.00 H ATOM 1142 HB3 ALA B 17 16.084 63.887 9.817 1.00 0.00 H ATOM 1143 H ALA B 17 16.173 67.155 11.452 1.00 0.00 H ATOM 1144 N GLY B 18 17.857 67.086 9.018 1.00 47.85 N ATOM 1145 CA GLY B 18 18.495 67.561 7.800 1.00 49.30 C ATOM 1146 C GLY B 18 18.920 69.022 7.860 1.00 51.12 C ATOM 1147 O GLY B 18 18.813 69.662 8.905 1.00 51.48 O ATOM 1148 HA3 GLY B 18 17.794 67.440 6.974 1.00 0.00 H ATOM 1149 HA2 GLY B 18 19.380 66.952 7.615 1.00 0.00 H ATOM 1150 H GLY B 18 17.297 67.748 9.592 1.00 0.00 H ATOM 1151 N ASP B 19 19.403 69.552 6.736 1.00 52.73 N ATOM 1152 CA ASP B 19 19.850 70.947 6.657 1.00 53.26 C ATOM 1153 C ASP B 19 18.696 71.937 6.683 1.00 51.35 C ATOM 1154 O ASP B 19 18.876 73.110 7.011 1.00 51.20 O ATOM 1155 CB ASP B 19 20.669 71.177 5.387 1.00 55.87 C ATOM 1156 CG ASP B 19 21.939 70.362 5.364 1.00 60.49 C ATOM 1157 OD1 ASP B 19 22.675 70.397 6.376 1.00 61.84 O ATOM 1158 OD2 ASP B 19 22.204 69.694 4.338 1.00 62.04 O ATOM 1159 HA ASP B 19 20.464 71.121 7.541 1.00 0.00 H ATOM 1160 HB2 ASP B 19 20.062 70.903 4.524 1.00 0.00 H ATOM 1161 HB3 ASP B 19 20.930 72.234 5.325 1.00 0.00 H ATOM 1162 H ASP B 19 19.465 68.956 5.886 1.00 0.00 H ATOM 1163 N ASP B 20 17.513 71.460 6.323 1.00 49.25 N ATOM 1164 CA ASP B 20 16.321 72.290 6.315 1.00 48.26 C ATOM 1165 C ASP B 20 15.751 72.405 7.734 1.00 45.29 C ATOM 1166 O ASP B 20 14.828 73.175 7.975 1.00 43.80 O ATOM 1167 CB ASP B 20 15.277 71.678 5.372 1.00 51.93 C ATOM 1168 CG ASP B 20 14.958 70.223 5.713 1.00 55.93 C ATOM 1169 OD1 ASP B 20 15.899 69.398 5.792 1.00 56.48 O ATOM 1170 OD2 ASP B 20 13.762 69.902 5.899 1.00 58.94 O ATOM 1171 HA ASP B 20 16.579 73.289 5.962 1.00 0.00 H ATOM 1172 HB2 ASP B 20 14.359 72.262 5.441 1.00 0.00 H ATOM 1173 HB3 ASP B 20 15.659 71.722 4.352 1.00 0.00 H ATOM 1174 H ASP B 20 17.436 70.463 6.038 1.00 0.00 H ATOM 1175 N GLU B 21 16.315 71.645 8.669 1.00 42.19 N ATOM 1176 CA GLU B 21 15.845 71.659 10.054 1.00 42.42 C ATOM 1177 C GLU B 21 16.823 72.288 11.053 1.00 41.00 C ATOM 1178 O GLU B 21 18.008 72.463 10.764 1.00 38.93 O ATOM 1179 CB GLU B 21 15.500 70.227 10.501 1.00 41.16 C ATOM 1180 CG GLU B 21 14.183 69.691 9.934 1.00 41.88 C ATOM 1181 CD GLU B 21 13.983 68.205 10.186 1.00 43.28 C ATOM 1182 OE1 GLU B 21 14.532 67.685 11.182 1.00 41.31 O ATOM 1183 OE2 GLU B 21 13.263 67.556 9.391 1.00 45.05 O ATOM 1184 HA GLU B 21 14.961 72.296 10.060 1.00 0.00 H ATOM 1185 HB2 GLU B 21 16.305 69.566 10.180 1.00 0.00 H ATOM 1186 HB3 GLU B 21 15.434 70.215 11.589 1.00 0.00 H ATOM 1187 HG2 GLU B 21 13.359 70.235 10.397 1.00 0.00 H ATOM 1188 HG3 GLU B 21 14.173 69.865 8.858 1.00 0.00 H ATOM 1189 H GLU B 21 17.109 71.026 8.409 1.00 0.00 H ATOM 1190 N ILE B 22 16.309 72.631 12.231 1.00 39.46 N ATOM 1191 CA ILE B 22 17.130 73.224 13.282 1.00 38.45 C ATOM 1192 C ILE B 22 17.093 72.371 14.544 1.00 37.30 C ATOM 1193 O ILE B 22 16.145 71.612 14.759 1.00 35.81 O ATOM 1194 CB ILE B 22 16.654 74.647 13.652 1.00 38.18 C ATOM 1195 CG1 ILE B 22 15.205 74.611 14.128 1.00 38.02 C ATOM 1196 CG2 ILE B 22 16.804 75.573 12.463 1.00 36.84 C ATOM 1197 CD1 ILE B 22 14.691 75.967 14.586 1.00 40.19 C ATOM 1198 HA ILE B 22 18.145 73.275 12.888 1.00 0.00 H ATOM 1199 HB ILE B 22 17.273 75.027 14.465 1.00 0.00 H ATOM 1200 HG12 ILE B 22 14.579 74.262 13.307 1.00 0.00 H ATOM 1201 HG13 ILE B 22 15.131 73.913 14.962 1.00 0.00 H ATOM 1202 HD11 ILE B 22 15.302 76.325 15.415 1.00 0.00 H ATOM 1203 HD12 ILE B 22 14.749 76.674 13.759 1.00 0.00 H ATOM 1204 HD13 ILE B 22 13.655 75.871 14.911 1.00 0.00 H ATOM 1205 HG21 ILE B 22 17.852 75.612 12.165 1.00 0.00 H ATOM 1206 HG22 ILE B 22 16.203 75.199 11.634 1.00 0.00 H ATOM 1207 HG23 ILE B 22 16.465 76.572 12.737 1.00 0.00 H ATOM 1208 H ILE B 22 15.296 72.473 12.408 1.00 0.00 H ATOM 1209 N SER B 23 18.131 72.499 15.370 1.00 36.44 N ATOM 1210 CA SER B 23 18.225 71.754 16.625 1.00 35.11 C ATOM 1211 C SER B 23 18.028 72.674 17.823 1.00 33.54 C ATOM 1212 O SER B 23 18.240 73.880 17.727 1.00 35.25 O ATOM 1213 CB SER B 23 19.601 71.088 16.752 1.00 35.21 C ATOM 1214 OG SER B 23 19.818 70.110 15.748 1.00 37.27 O ATOM 1215 HA SER B 23 17.441 70.997 16.613 1.00 0.00 H ATOM 1216 HB2 SER B 23 19.671 70.610 17.729 1.00 0.00 H ATOM 1217 HB3 SER B 23 20.371 71.855 16.668 1.00 0.00 H ATOM 1218 HG SER B 23 20.715 69.708 15.869 1.00 0.00 H ATOM 1219 H SER B 23 18.900 73.151 15.114 1.00 0.00 H ATOM 1220 N PHE B 24 17.617 72.102 18.950 1.00 32.00 N ATOM 1221 CA PHE B 24 17.446 72.866 20.176 1.00 31.69 C ATOM 1222 C PHE B 24 17.319 71.968 21.403 1.00 34.09 C ATOM 1223 O PHE B 24 17.055 70.768 21.285 1.00 33.73 O ATOM 1224 CB PHE B 24 16.244 73.829 20.087 1.00 29.51 C ATOM 1225 CG PHE B 24 14.934 73.177 19.721 1.00 29.65 C ATOM 1226 CD1 PHE B 24 14.386 72.165 20.502 1.00 29.31 C ATOM 1227 CD2 PHE B 24 14.223 73.613 18.606 1.00 31.07 C ATOM 1228 CE1 PHE B 24 13.152 71.602 20.181 1.00 27.04 C ATOM 1229 CE2 PHE B 24 12.985 73.054 18.276 1.00 29.05 C ATOM 1230 CZ PHE B 24 12.450 72.047 19.068 1.00 27.83 C ATOM 1231 HA PHE B 24 18.352 73.461 20.293 1.00 0.00 H ATOM 1232 HB2 PHE B 24 16.123 74.311 21.057 1.00 0.00 H ATOM 1233 HB3 PHE B 24 16.469 74.584 19.333 1.00 0.00 H ATOM 1234 HD2 PHE B 24 14.638 74.403 17.980 1.00 0.00 H ATOM 1235 HE2 PHE B 24 12.441 73.408 17.400 1.00 0.00 H ATOM 1236 HZ PHE B 24 11.484 71.608 18.818 1.00 0.00 H ATOM 1237 HE1 PHE B 24 12.737 70.811 20.805 1.00 0.00 H ATOM 1238 HD1 PHE B 24 14.929 71.807 21.377 1.00 0.00 H ATOM 1239 H PHE B 24 17.412 71.082 18.956 1.00 0.00 H ATOM 1240 N ASP B 25 17.528 72.561 22.577 1.00 34.61 N ATOM 1241 CA ASP B 25 17.437 71.855 23.851 1.00 36.77 C ATOM 1242 C ASP B 25 16.280 72.462 24.627 1.00 36.28 C ATOM 1243 O ASP B 25 15.784 73.527 24.271 1.00 38.54 O ATOM 1244 CB ASP B 25 18.716 72.050 24.677 1.00 38.76 C ATOM 1245 CG ASP B 25 19.970 71.682 23.917 1.00 42.80 C ATOM 1246 OD1 ASP B 25 20.069 70.519 23.470 1.00 48.27 O ATOM 1247 OD2 ASP B 25 20.860 72.550 23.772 1.00 42.80 O ATOM 1248 HA ASP B 25 17.296 70.790 23.666 1.00 0.00 H ATOM 1249 HB2 ASP B 25 18.783 73.097 24.973 1.00 0.00 H ATOM 1250 HB3 ASP B 25 18.653 71.425 25.568 1.00 0.00 H ATOM 1251 H ASP B 25 17.767 73.573 22.586 1.00 0.00 H ATOM 1252 N PRO B 26 15.829 71.790 25.694 1.00 35.79 N ATOM 1253 CA PRO B 26 14.722 72.356 26.470 1.00 36.10 C ATOM 1254 C PRO B 26 15.131 73.752 26.936 1.00 35.76 C ATOM 1255 O PRO B 26 16.302 73.984 27.235 1.00 36.02 O ATOM 1256 CB PRO B 26 14.587 71.382 27.641 1.00 35.31 C ATOM 1257 CG PRO B 26 15.000 70.079 27.036 1.00 36.20 C ATOM 1258 CD PRO B 26 16.207 70.458 26.201 1.00 36.08 C ATOM 1259 HA PRO B 26 13.784 72.466 25.926 1.00 0.00 H ATOM 1260 HD3 PRO B 26 17.109 70.508 26.810 1.00 0.00 H ATOM 1261 HD2 PRO B 26 16.360 69.753 25.384 1.00 0.00 H ATOM 1262 HG3 PRO B 26 14.206 69.667 26.413 1.00 0.00 H ATOM 1263 HG2 PRO B 26 15.268 69.356 27.807 1.00 0.00 H ATOM 1264 HB2 PRO B 26 15.247 71.661 28.462 1.00 0.00 H ATOM 1265 HB3 PRO B 26 13.559 71.340 28.001 1.00 0.00 H ATOM 1266 N ASP B 27 14.170 74.672 26.980 1.00 35.91 N ATOM 1267 CA ASP B 27 14.401 76.057 27.411 1.00 35.21 C ATOM 1268 C ASP B 27 15.015 76.977 26.357 1.00 33.30 C ATOM 1269 O ASP B 27 15.143 78.177 26.592 1.00 33.04 O ATOM 1270 CB ASP B 27 15.271 76.115 28.674 1.00 36.89 C ATOM 1271 CG ASP B 27 14.633 75.421 29.862 1.00 41.39 C ATOM 1272 OD1 ASP B 27 13.403 75.549 30.049 1.00 41.00 O ATOM 1273 OD2 ASP B 27 15.372 74.757 30.624 1.00 46.13 O ATOM 1274 HA ASP B 27 13.397 76.432 27.609 1.00 0.00 H ATOM 1275 HB2 ASP B 27 16.226 75.634 28.461 1.00 0.00 H ATOM 1276 HB3 ASP B 27 15.441 77.160 28.932 1.00 0.00 H ATOM 1277 H ASP B 27 13.208 74.397 26.695 1.00 0.00 H ATOM 1278 N ASP B 28 15.416 76.437 25.209 1.00 30.64 N ATOM 1279 CA ASP B 28 15.976 77.302 24.173 1.00 28.67 C ATOM 1280 C ASP B 28 14.838 78.165 23.614 1.00 28.16 C ATOM 1281 O ASP B 28 13.663 77.792 23.689 1.00 27.54 O ATOM 1282 CB ASP B 28 16.608 76.489 23.037 1.00 28.73 C ATOM 1283 CG ASP B 28 18.045 76.064 23.333 1.00 32.25 C ATOM 1284 OD1 ASP B 28 18.713 76.700 24.184 1.00 32.81 O ATOM 1285 OD2 ASP B 28 18.517 75.102 22.690 1.00 28.95 O ATOM 1286 HA ASP B 28 16.762 77.919 24.610 1.00 0.00 H ATOM 1287 HB2 ASP B 28 16.007 75.594 22.875 1.00 0.00 H ATOM 1288 HB3 ASP B 28 16.605 77.096 22.132 1.00 0.00 H ATOM 1289 H ASP B 28 15.332 75.412 25.051 1.00 0.00 H ATOM 1290 N ILE B 29 15.187 79.313 23.053 1.00 25.90 N ATOM 1291 CA ILE B 29 14.186 80.205 22.495 1.00 25.65 C ATOM 1292 C ILE B 29 14.205 80.167 20.968 1.00 26.83 C ATOM 1293 O ILE B 29 15.265 80.239 20.353 1.00 28.39 O ATOM 1294 CB ILE B 29 14.432 81.668 22.942 1.00 26.71 C ATOM 1295 CG1 ILE B 29 14.527 81.755 24.477 1.00 23.32 C ATOM 1296 CG2 ILE B 29 13.343 82.565 22.386 1.00 25.56 C ATOM 1297 CD1 ILE B 29 13.279 81.324 25.215 1.00 25.60 C ATOM 1298 HA ILE B 29 13.219 79.862 22.862 1.00 0.00 H ATOM 1299 HB ILE B 29 15.385 82.014 22.543 1.00 0.00 H ATOM 1300 HG12 ILE B 29 15.350 81.119 24.803 1.00 0.00 H ATOM 1301 HG13 ILE B 29 14.740 82.790 24.746 1.00 0.00 H ATOM 1302 HD11 ILE B 29 12.444 81.957 24.915 1.00 0.00 H ATOM 1303 HD12 ILE B 29 13.055 80.285 24.972 1.00 0.00 H ATOM 1304 HD13 ILE B 29 13.442 81.420 26.288 1.00 0.00 H ATOM 1305 HG21 ILE B 29 13.352 82.514 21.297 1.00 0.00 H ATOM 1306 HG22 ILE B 29 12.374 82.232 22.758 1.00 0.00 H ATOM 1307 HG23 ILE B 29 13.522 83.592 22.704 1.00 0.00 H ATOM 1308 H ILE B 29 16.191 79.579 23.012 1.00 0.00 H ATOM 1309 N ILE B 30 13.026 80.040 20.367 1.00 27.31 N ATOM 1310 CA ILE B 30 12.889 80.036 18.915 1.00 27.04 C ATOM 1311 C ILE B 30 12.165 81.335 18.582 1.00 27.83 C ATOM 1312 O ILE B 30 11.094 81.608 19.120 1.00 28.79 O ATOM 1313 CB ILE B 30 12.028 78.846 18.400 1.00 28.37 C ATOM 1314 CG1 ILE B 30 12.624 77.511 18.860 1.00 27.03 C ATOM 1315 CG2 ILE B 30 11.968 78.866 16.875 1.00 24.47 C ATOM 1316 CD1 ILE B 30 12.326 77.166 20.294 1.00 27.42 C ATOM 1317 HA ILE B 30 13.869 79.941 18.447 1.00 0.00 H ATOM 1318 HB ILE B 30 11.023 78.950 18.810 1.00 0.00 H ATOM 1319 HG12 ILE B 30 12.222 76.720 18.227 1.00 0.00 H ATOM 1320 HG13 ILE B 30 13.706 77.558 18.737 1.00 0.00 H ATOM 1321 HD11 ILE B 30 12.732 77.940 20.945 1.00 0.00 H ATOM 1322 HD12 ILE B 30 11.247 77.101 20.434 1.00 0.00 H ATOM 1323 HD13 ILE B 30 12.784 76.207 20.538 1.00 0.00 H ATOM 1324 HG21 ILE B 30 11.521 79.803 16.542 1.00 0.00 H ATOM 1325 HG22 ILE B 30 12.977 78.780 16.472 1.00 0.00 H ATOM 1326 HG23 ILE B 30 11.363 78.029 16.525 1.00 0.00 H ATOM 1327 H ILE B 30 12.172 79.940 20.952 1.00 0.00 H ATOM 1328 N THR B 31 12.750 82.142 17.708 1.00 28.69 N ATOM 1329 CA THR B 31 12.139 83.413 17.344 1.00 30.72 C ATOM 1330 C THR B 31 11.704 83.447 15.879 1.00 31.49 C ATOM 1331 O THR B 31 11.943 82.502 15.126 1.00 31.95 O ATOM 1332 CB THR B 31 13.120 84.584 17.599 1.00 32.04 C ATOM 1333 OG1 THR B 31 14.176 84.538 16.637 1.00 30.23 O ATOM 1334 CG2 THR B 31 13.732 84.484 19.001 1.00 31.17 C ATOM 1335 HA THR B 31 11.254 83.522 17.971 1.00 0.00 H ATOM 1336 HB THR B 31 12.567 85.519 17.515 1.00 0.00 H ATOM 1337 HG1 THR B 31 13.795 84.618 15.727 1.00 0.00 H ATOM 1338 HG23 THR B 31 12.937 84.518 19.746 1.00 0.00 H ATOM 1339 HG21 THR B 31 14.277 83.545 19.092 1.00 0.00 H ATOM 1340 HG22 THR B 31 14.415 85.319 19.158 1.00 0.00 H ATOM 1341 H THR B 31 13.655 81.864 17.278 1.00 0.00 H ATOM 1342 N ASN B 32 11.059 84.547 15.493 1.00 33.82 N ATOM 1343 CA ASN B 32 10.580 84.766 14.127 1.00 35.02 C ATOM 1344 C ASN B 32 9.899 83.534 13.536 1.00 36.88 C ATOM 1345 O ASN B 32 10.161 83.153 12.393 1.00 36.21 O ATOM 1346 CB ASN B 32 11.744 85.193 13.229 1.00 36.07 C ATOM 1347 CG ASN B 32 12.564 86.330 13.831 1.00 38.86 C ATOM 1348 OD1 ASN B 32 13.568 86.097 14.504 1.00 42.79 O ATOM 1349 ND2 ASN B 32 12.130 87.563 13.602 1.00 39.10 N ATOM 1350 HA ASN B 32 9.831 85.557 14.174 1.00 0.00 H ATOM 1351 HB2 ASN B 32 12.398 84.335 13.073 1.00 0.00 H ATOM 1352 HB3 ASN B 32 11.343 85.521 12.270 1.00 0.00 H ATOM 1353 HD22 ASN B 32 11.277 87.716 13.027 1.00 0.00 H ATOM 1354 HD21 ASN B 32 12.643 88.377 13.997 1.00 0.00 H ATOM 1355 H ASN B 32 10.887 85.290 16.200 1.00 0.00 H ATOM 1356 N ILE B 33 9.015 82.925 14.320 1.00 37.12 N ATOM 1357 CA ILE B 33 8.307 81.726 13.899 1.00 39.21 C ATOM 1358 C ILE B 33 7.300 81.895 12.760 1.00 43.69 C ATOM 1359 O ILE B 33 6.468 82.806 12.769 1.00 45.10 O ATOM 1360 CB ILE B 33 7.580 81.081 15.096 1.00 37.76 C ATOM 1361 CG1 ILE B 33 8.609 80.521 16.090 1.00 34.67 C ATOM 1362 CG2 ILE B 33 6.631 79.998 14.606 1.00 33.95 C ATOM 1363 CD1 ILE B 33 7.997 79.986 17.359 1.00 31.72 C ATOM 1364 HA ILE B 33 9.099 81.090 13.504 1.00 0.00 H ATOM 1365 HB ILE B 33 6.987 81.835 15.613 1.00 0.00 H ATOM 1366 HG12 ILE B 33 9.154 79.712 15.603 1.00 0.00 H ATOM 1367 HG13 ILE B 33 9.304 81.319 16.352 1.00 0.00 H ATOM 1368 HD11 ILE B 33 7.457 80.786 17.866 1.00 0.00 H ATOM 1369 HD12 ILE B 33 7.307 79.178 17.116 1.00 0.00 H ATOM 1370 HD13 ILE B 33 8.785 79.609 18.010 1.00 0.00 H ATOM 1371 HG21 ILE B 33 5.895 80.439 13.934 1.00 0.00 H ATOM 1372 HG22 ILE B 33 7.198 79.233 14.075 1.00 0.00 H ATOM 1373 HG23 ILE B 33 6.123 79.549 15.459 1.00 0.00 H ATOM 1374 H ILE B 33 8.824 83.318 15.264 1.00 0.00 H ATOM 1375 N GLU B 34 7.397 80.998 11.781 1.00 47.38 N ATOM 1376 CA GLU B 34 6.503 80.966 10.623 1.00 48.99 C ATOM 1377 C GLU B 34 5.754 79.647 10.727 1.00 49.97 C ATOM 1378 O GLU B 34 6.366 78.581 10.653 1.00 49.13 O ATOM 1379 CB GLU B 34 7.289 80.954 9.313 1.00 49.10 C ATOM 1380 CG GLU B 34 8.198 82.134 9.072 1.00 52.08 C ATOM 1381 CD GLU B 34 8.930 82.022 7.743 1.00 54.12 C ATOM 1382 OE1 GLU B 34 8.256 81.884 6.700 1.00 57.12 O ATOM 1383 OE2 GLU B 34 10.177 82.069 7.737 1.00 56.09 O ATOM 1384 HA GLU B 34 5.854 81.842 10.621 1.00 0.00 H ATOM 1385 HB2 GLU B 34 7.902 80.053 9.301 1.00 0.00 H ATOM 1386 HB3 GLU B 34 6.571 80.914 8.494 1.00 0.00 H ATOM 1387 HG2 GLU B 34 7.600 83.045 9.070 1.00 0.00 H ATOM 1388 HG3 GLU B 34 8.932 82.184 9.876 1.00 0.00 H ATOM 1389 H GLU B 34 8.148 80.282 11.843 1.00 0.00 H ATOM 1390 N MET B 35 4.441 79.705 10.904 1.00 53.07 N ATOM 1391 CA MET B 35 3.656 78.483 11.013 1.00 56.90 C ATOM 1392 C MET B 35 3.223 78.006 9.634 1.00 58.21 C ATOM 1393 O MET B 35 2.040 77.999 9.302 1.00 59.41 O ATOM 1394 CB MET B 35 2.452 78.726 11.916 1.00 58.34 C ATOM 1395 CG MET B 35 2.876 79.121 13.317 1.00 62.06 C ATOM 1396 SD MET B 35 1.526 79.496 14.428 1.00 65.51 S ATOM 1397 CE MET B 35 1.383 81.255 14.165 1.00 66.51 C ATOM 1398 HA MET B 35 4.269 77.699 11.458 1.00 0.00 H ATOM 1399 HB2 MET B 35 1.846 79.526 11.491 1.00 0.00 H ATOM 1400 HB3 MET B 35 1.860 77.813 11.970 1.00 0.00 H ATOM 1401 HG2 MET B 35 3.511 80.004 13.244 1.00 0.00 H ATOM 1402 HG3 MET B 35 3.449 78.297 13.744 1.00 0.00 H ATOM 1403 HE1 MET B 35 2.323 81.739 14.432 1.00 0.00 H ATOM 1404 HE2 MET B 35 1.159 81.447 13.116 1.00 0.00 H ATOM 1405 HE3 MET B 35 0.580 81.650 14.788 1.00 0.00 H ATOM 1406 H MET B 35 3.969 80.629 10.965 1.00 0.00 H ATOM 1407 N ILE B 36 4.210 77.604 8.839 1.00 59.40 N ATOM 1408 CA ILE B 36 3.994 77.128 7.481 1.00 61.53 C ATOM 1409 C ILE B 36 3.264 75.785 7.441 1.00 63.19 C ATOM 1410 O ILE B 36 3.172 75.150 6.387 1.00 62.64 O ATOM 1411 CB ILE B 36 5.334 76.962 6.736 1.00 61.79 C ATOM 1412 CG1 ILE B 36 6.162 75.869 7.413 1.00 61.34 C ATOM 1413 CG2 ILE B 36 6.100 78.281 6.722 1.00 60.38 C ATOM 1414 CD1 ILE B 36 7.403 75.491 6.650 1.00 61.56 C ATOM 1415 HA ILE B 36 3.375 77.883 6.995 1.00 0.00 H ATOM 1416 HB ILE B 36 5.137 76.672 5.704 1.00 0.00 H ATOM 1417 HG12 ILE B 36 6.459 76.223 8.400 1.00 0.00 H ATOM 1418 HG13 ILE B 36 5.539 74.981 7.519 1.00 0.00 H ATOM 1419 HD11 ILE B 36 7.123 75.123 5.663 1.00 0.00 H ATOM 1420 HD12 ILE B 36 8.044 76.366 6.544 1.00 0.00 H ATOM 1421 HD13 ILE B 36 7.938 74.711 7.192 1.00 0.00 H ATOM 1422 HG21 ILE B 36 5.504 79.041 6.217 1.00 0.00 H ATOM 1423 HG22 ILE B 36 6.299 78.595 7.747 1.00 0.00 H ATOM 1424 HG23 ILE B 36 7.043 78.146 6.192 1.00 0.00 H ATOM 1425 H ILE B 36 5.183 77.631 9.205 1.00 0.00 H ATOM 1426 N ASP B 37 2.753 75.357 8.590 1.00 64.72 N ATOM 1427 CA ASP B 37 2.033 74.093 8.691 1.00 65.60 C ATOM 1428 C ASP B 37 1.664 73.848 10.150 1.00 66.08 C ATOM 1429 O ASP B 37 2.325 74.349 11.060 1.00 67.27 O ATOM 1430 CB ASP B 37 2.906 72.946 8.166 1.00 65.52 C ATOM 1431 CG ASP B 37 2.208 71.604 8.231 1.00 67.26 C ATOM 1432 OD1 ASP B 37 1.072 71.502 7.721 1.00 67.99 O ATOM 1433 OD2 ASP B 37 2.796 70.648 8.785 1.00 68.29 O ATOM 1434 HA ASP B 37 1.126 74.139 8.088 1.00 0.00 H ATOM 1435 HB2 ASP B 37 3.168 73.153 7.128 1.00 0.00 H ATOM 1436 HB3 ASP B 37 3.815 72.896 8.766 1.00 0.00 H ATOM 1437 H ASP B 37 2.870 75.941 9.443 1.00 0.00 H ATOM 1438 N ASP B 38 0.604 73.082 10.368 1.00 65.53 N ATOM 1439 CA ASP B 38 0.150 72.773 11.718 1.00 64.47 C ATOM 1440 C ASP B 38 1.124 71.840 12.445 1.00 61.91 C ATOM 1441 O ASP B 38 1.166 71.817 13.677 1.00 62.69 O ATOM 1442 CB ASP B 38 -1.238 72.128 11.654 1.00 66.67 C ATOM 1443 CG ASP B 38 -1.236 70.807 10.894 1.00 68.67 C ATOM 1444 OD1 ASP B 38 -0.755 69.798 11.456 1.00 69.30 O ATOM 1445 OD2 ASP B 38 -1.707 70.780 9.732 1.00 69.76 O ATOM 1446 HA ASP B 38 0.103 73.705 12.281 1.00 0.00 H ATOM 1447 HB2 ASP B 38 -1.586 71.946 12.671 1.00 0.00 H ATOM 1448 HB3 ASP B 38 -1.921 72.817 11.156 1.00 0.00 H ATOM 1449 H ASP B 38 0.084 72.692 9.556 1.00 0.00 H ATOM 1450 N GLY B 39 1.901 71.078 11.676 1.00 58.61 N ATOM 1451 CA GLY B 39 2.853 70.144 12.257 1.00 53.18 C ATOM 1452 C GLY B 39 4.300 70.607 12.243 1.00 48.89 C ATOM 1453 O GLY B 39 5.073 70.255 13.133 1.00 46.84 O ATOM 1454 HA3 GLY B 39 2.792 69.209 11.700 1.00 0.00 H ATOM 1455 HA2 GLY B 39 2.564 69.968 13.293 1.00 0.00 H ATOM 1456 H GLY B 39 1.825 71.152 10.641 1.00 0.00 H ATOM 1457 N TRP B 40 4.672 71.393 11.238 1.00 45.32 N ATOM 1458 CA TRP B 40 6.040 71.894 11.134 1.00 42.56 C ATOM 1459 C TRP B 40 6.133 73.402 10.987 1.00 41.41 C ATOM 1460 O TRP B 40 5.662 73.968 10.001 1.00 43.83 O ATOM 1461 CB TRP B 40 6.769 71.252 9.953 1.00 40.48 C ATOM 1462 CG TRP B 40 7.105 69.814 10.173 1.00 39.87 C ATOM 1463 CD1 TRP B 40 6.286 68.739 9.982 1.00 37.63 C ATOM 1464 CD2 TRP B 40 8.347 69.294 10.660 1.00 38.60 C ATOM 1465 NE1 TRP B 40 6.941 67.579 10.318 1.00 37.61 N ATOM 1466 CE2 TRP B 40 8.209 67.888 10.738 1.00 38.63 C ATOM 1467 CE3 TRP B 40 9.564 69.879 11.040 1.00 35.05 C ATOM 1468 CZ2 TRP B 40 9.244 67.054 11.180 1.00 38.46 C ATOM 1469 CZ3 TRP B 40 10.593 69.053 11.481 1.00 36.16 C ATOM 1470 CH2 TRP B 40 10.425 67.653 11.546 1.00 38.99 C ATOM 1471 HA TRP B 40 6.512 71.621 12.078 1.00 0.00 H ATOM 1472 HB2 TRP B 40 6.132 71.327 9.072 1.00 0.00 H ATOM 1473 HB3 TRP B 40 7.695 71.800 9.779 1.00 0.00 H ATOM 1474 HE1 TRP B 40 6.540 66.621 10.263 1.00 0.00 H ATOM 1475 HD1 TRP B 40 5.261 68.793 9.616 1.00 0.00 H ATOM 1476 HZ2 TRP B 40 9.117 65.973 11.232 1.00 0.00 H ATOM 1477 HH2 TRP B 40 11.251 67.033 11.894 1.00 0.00 H ATOM 1478 HZ3 TRP B 40 11.544 69.494 11.781 1.00 0.00 H ATOM 1479 HE3 TRP B 40 9.701 70.959 10.991 1.00 0.00 H ATOM 1480 H TRP B 40 3.976 71.656 10.512 1.00 0.00 H ATOM 1481 N TRP B 41 6.744 74.051 11.972 1.00 38.91 N ATOM 1482 CA TRP B 41 6.928 75.491 11.920 1.00 35.96 C ATOM 1483 C TRP B 41 8.352 75.771 11.480 1.00 34.39 C ATOM 1484 O TRP B 41 9.182 74.864 11.367 1.00 34.13 O ATOM 1485 CB TRP B 41 6.679 76.141 13.288 1.00 36.03 C ATOM 1486 CG TRP B 41 5.250 76.081 13.744 1.00 39.07 C ATOM 1487 CD1 TRP B 41 4.150 75.845 12.968 1.00 39.90 C ATOM 1488 CD2 TRP B 41 4.762 76.290 15.076 1.00 39.94 C ATOM 1489 NE1 TRP B 41 3.009 75.893 13.731 1.00 40.61 N ATOM 1490 CE2 TRP B 41 3.353 76.165 15.030 1.00 41.48 C ATOM 1491 CE3 TRP B 41 5.376 76.570 16.306 1.00 39.37 C ATOM 1492 CZ2 TRP B 41 2.547 76.310 16.168 1.00 39.37 C ATOM 1493 CZ3 TRP B 41 4.577 76.713 17.437 1.00 39.38 C ATOM 1494 CH2 TRP B 41 3.176 76.582 17.358 1.00 40.92 C ATOM 1495 HA TRP B 41 6.210 75.914 11.217 1.00 0.00 H ATOM 1496 HB2 TRP B 41 7.296 75.631 14.027 1.00 0.00 H ATOM 1497 HB3 TRP B 41 6.976 77.188 13.229 1.00 0.00 H ATOM 1498 HE1 TRP B 41 2.041 75.747 13.380 1.00 0.00 H ATOM 1499 HD1 TRP B 41 4.175 75.647 11.896 1.00 0.00 H ATOM 1500 HZ2 TRP B 41 1.463 76.211 16.110 1.00 0.00 H ATOM 1501 HH2 TRP B 41 2.578 76.699 18.262 1.00 0.00 H ATOM 1502 HZ3 TRP B 41 5.042 76.930 18.399 1.00 0.00 H ATOM 1503 HE3 TRP B 41 6.459 76.674 16.375 1.00 0.00 H ATOM 1504 H TRP B 41 7.096 73.520 12.794 1.00 0.00 H ATOM 1505 N ARG B 42 8.632 77.037 11.227 1.00 33.71 N ATOM 1506 CA ARG B 42 9.961 77.438 10.816 1.00 35.27 C ATOM 1507 C ARG B 42 10.327 78.631 11.689 1.00 33.35 C ATOM 1508 O ARG B 42 9.453 79.372 12.127 1.00 32.69 O ATOM 1509 CB ARG B 42 9.943 77.809 9.335 1.00 37.96 C ATOM 1510 CG ARG B 42 11.293 78.087 8.726 1.00 44.48 C ATOM 1511 CD ARG B 42 11.148 78.328 7.222 1.00 50.56 C ATOM 1512 NE ARG B 42 11.102 77.095 6.439 1.00 54.71 N ATOM 1513 CZ ARG B 42 10.874 77.051 5.129 1.00 56.24 C ATOM 1514 NH1 ARG B 42 10.857 75.884 4.494 1.00 55.47 N ATOM 1515 NH2 ARG B 42 10.649 78.175 4.455 1.00 57.49 N ATOM 1516 HA ARG B 42 10.695 76.641 10.936 1.00 0.00 H ATOM 1517 HB2 ARG B 42 9.489 76.984 8.786 1.00 0.00 H ATOM 1518 HB3 ARG B 42 9.330 78.703 9.219 1.00 0.00 H ATOM 1519 HG2 ARG B 42 11.725 78.972 9.194 1.00 0.00 H ATOM 1520 HG3 ARG B 42 11.948 77.232 8.894 1.00 0.00 H ATOM 1521 HD2 ARG B 42 11.997 78.921 6.883 1.00 0.00 H ATOM 1522 HD3 ARG B 42 10.226 78.883 7.048 1.00 0.00 H ATOM 1523 HE ARG B 42 11.257 76.195 6.937 1.00 0.00 H ATOM 1524 HH12 ARG B 42 10.679 75.852 3.470 1.00 0.00 H ATOM 1525 HH11 ARG B 42 11.022 75.003 5.021 1.00 0.00 H ATOM 1526 HH22 ARG B 42 10.471 78.140 3.431 1.00 0.00 H ATOM 1527 HH21 ARG B 42 10.651 79.089 4.952 1.00 0.00 H ATOM 1528 H ARG B 42 7.887 77.756 11.324 1.00 0.00 H ATOM 1529 N GLY B 43 11.612 78.801 11.962 1.00 32.81 N ATOM 1530 CA GLY B 43 12.035 79.906 12.798 1.00 34.16 C ATOM 1531 C GLY B 43 13.525 79.913 13.044 1.00 35.40 C ATOM 1532 O GLY B 43 14.273 79.146 12.437 1.00 36.87 O ATOM 1533 HA3 GLY B 43 11.523 79.834 13.758 1.00 0.00 H ATOM 1534 HA2 GLY B 43 11.757 80.840 12.309 1.00 0.00 H ATOM 1535 H GLY B 43 12.317 78.141 11.576 1.00 0.00 H ATOM 1536 N VAL B 44 13.961 80.783 13.945 1.00 36.16 N ATOM 1537 CA VAL B 44 15.376 80.900 14.263 1.00 35.22 C ATOM 1538 C VAL B 44 15.683 80.458 15.688 1.00 34.61 C ATOM 1539 O VAL B 44 14.971 80.814 16.626 1.00 33.73 O ATOM 1540 CB VAL B 44 15.860 82.357 14.086 1.00 34.55 C ATOM 1541 CG1 VAL B 44 17.349 82.450 14.365 1.00 32.71 C ATOM 1542 CG2 VAL B 44 15.552 82.834 12.676 1.00 35.46 C ATOM 1543 HA VAL B 44 15.902 80.243 13.571 1.00 0.00 H ATOM 1544 HB VAL B 44 15.335 82.997 14.795 1.00 0.00 H ATOM 1545 HG11 VAL B 44 17.546 82.129 15.388 1.00 0.00 H ATOM 1546 HG12 VAL B 44 17.888 81.806 13.670 1.00 0.00 H ATOM 1547 HG13 VAL B 44 17.678 83.481 14.237 1.00 0.00 H ATOM 1548 HG21 VAL B 44 16.064 82.194 11.957 1.00 0.00 H ATOM 1549 HG22 VAL B 44 14.477 82.787 12.505 1.00 0.00 H ATOM 1550 HG23 VAL B 44 15.896 83.862 12.558 1.00 0.00 H ATOM 1551 H VAL B 44 13.277 81.395 14.435 1.00 0.00 H ATOM 1552 N CYS B 45 16.747 79.674 15.833 1.00 34.56 N ATOM 1553 CA CYS B 45 17.184 79.190 17.135 1.00 34.31 C ATOM 1554 C CYS B 45 18.703 79.126 17.135 1.00 34.18 C ATOM 1555 O CYS B 45 19.308 78.507 16.259 1.00 34.63 O ATOM 1556 CB CYS B 45 16.607 77.803 17.428 1.00 33.80 C ATOM 1557 SG CYS B 45 16.802 77.288 19.160 1.00 33.78 S ATOM 1558 HA CYS B 45 16.829 79.869 17.910 1.00 0.00 H ATOM 1559 HB2 CYS B 45 17.114 77.077 16.793 1.00 0.00 H ATOM 1560 HB3 CYS B 45 15.544 77.814 17.189 1.00 0.00 H ATOM 1561 HG CYS B 45 16.154 78.188 19.982 1.00 0.00 H ATOM 1562 H CYS B 45 17.286 79.397 14.988 1.00 0.00 H ATOM 1563 N LYS B 46 19.309 79.780 18.117 1.00 36.19 N ATOM 1564 CA LYS B 46 20.759 79.822 18.255 1.00 38.11 C ATOM 1565 C LYS B 46 21.485 80.121 16.947 1.00 39.68 C ATOM 1566 O LYS B 46 22.429 79.423 16.572 1.00 40.85 O ATOM 1567 CB LYS B 46 21.269 78.511 18.864 1.00 35.80 C ATOM 1568 CG LYS B 46 20.885 78.357 20.326 1.00 36.80 C ATOM 1569 CD LYS B 46 21.323 77.031 20.919 1.00 37.14 C ATOM 1570 CE LYS B 46 20.543 75.867 20.343 1.00 38.01 C ATOM 1571 NZ LYS B 46 20.849 74.621 21.081 1.00 37.31 N ATOM 1572 HA LYS B 46 20.984 80.652 18.924 1.00 0.00 H ATOM 1573 HB2 LYS B 46 20.847 77.678 18.302 1.00 0.00 H ATOM 1574 HB3 LYS B 46 22.356 78.488 18.784 1.00 0.00 H ATOM 1575 HG2 LYS B 46 21.351 79.162 20.894 1.00 0.00 H ATOM 1576 HG3 LYS B 46 19.801 78.434 20.410 1.00 0.00 H ATOM 1577 HD2 LYS B 46 22.382 76.884 20.709 1.00 0.00 H ATOM 1578 HD3 LYS B 46 21.169 77.059 21.998 1.00 0.00 H ATOM 1579 HE2 LYS B 46 20.812 75.738 19.295 1.00 0.00 H ATOM 1580 HE3 LYS B 46 19.476 76.077 20.420 1.00 0.00 H ATOM 1581 HZ1 LYS B 46 21.866 74.416 21.007 1.00 0.00 H ATOM 1582 HZ2 LYS B 46 20.590 74.740 22.081 1.00 0.00 H ATOM 1583 HZ3 LYS B 46 20.305 73.835 20.672 1.00 0.00 H ATOM 1584 H LYS B 46 18.726 80.283 18.816 1.00 0.00 H ATOM 1585 N GLY B 47 21.036 81.165 16.258 1.00 40.79 N ATOM 1586 CA GLY B 47 21.665 81.565 15.013 1.00 41.77 C ATOM 1587 C GLY B 47 21.295 80.780 13.770 1.00 43.61 C ATOM 1588 O GLY B 47 21.645 81.187 12.664 1.00 44.92 O ATOM 1589 HA3 GLY B 47 22.743 81.479 15.147 1.00 0.00 H ATOM 1590 HA2 GLY B 47 21.404 82.608 14.833 1.00 0.00 H ATOM 1591 H GLY B 47 20.222 81.703 16.617 1.00 0.00 H ATOM 1592 N ARG B 48 20.589 79.665 13.933 1.00 45.42 N ATOM 1593 CA ARG B 48 20.201 78.840 12.792 1.00 46.34 C ATOM 1594 C ARG B 48 18.740 79.038 12.382 1.00 45.25 C ATOM 1595 O ARG B 48 17.889 79.369 13.208 1.00 45.20 O ATOM 1596 CB ARG B 48 20.453 77.360 13.105 1.00 49.53 C ATOM 1597 CG ARG B 48 21.891 77.015 13.494 1.00 55.38 C ATOM 1598 CD ARG B 48 22.908 77.506 12.463 1.00 61.87 C ATOM 1599 NE ARG B 48 24.135 76.700 12.439 1.00 67.43 N ATOM 1600 CZ ARG B 48 24.980 76.558 13.461 1.00 70.45 C ATOM 1601 NH1 ARG B 48 24.754 77.170 14.618 1.00 71.83 N ATOM 1602 NH2 ARG B 48 26.057 75.794 13.325 1.00 71.76 N ATOM 1603 HA ARG B 48 20.817 79.158 11.950 1.00 0.00 H ATOM 1604 HB2 ARG B 48 19.802 77.073 13.931 1.00 0.00 H ATOM 1605 HB3 ARG B 48 20.193 76.779 12.220 1.00 0.00 H ATOM 1606 HG2 ARG B 48 22.115 77.478 14.455 1.00 0.00 H ATOM 1607 HG3 ARG B 48 21.979 75.932 13.585 1.00 0.00 H ATOM 1608 HD2 ARG B 48 23.173 78.536 12.700 1.00 0.00 H ATOM 1609 HD3 ARG B 48 22.448 77.468 11.476 1.00 0.00 H ATOM 1610 HE ARG B 48 24.363 76.201 11.556 1.00 0.00 H ATOM 1611 HH12 ARG B 48 25.420 77.052 15.408 1.00 0.00 H ATOM 1612 HH11 ARG B 48 23.911 77.768 14.734 1.00 0.00 H ATOM 1613 HH22 ARG B 48 26.718 75.681 14.120 1.00 0.00 H ATOM 1614 HH21 ARG B 48 26.240 75.308 12.424 1.00 0.00 H ATOM 1615 H ARG B 48 20.308 79.375 14.891 1.00 0.00 H ATOM 1616 N TYR B 49 18.459 78.823 11.100 1.00 43.92 N ATOM 1617 CA TYR B 49 17.111 78.978 10.558 1.00 43.88 C ATOM 1618 C TYR B 49 16.618 77.693 9.883 1.00 42.30 C ATOM 1619 O TYR B 49 17.347 77.069 9.113 1.00 42.02 O ATOM 1620 CB TYR B 49 17.093 80.142 9.557 1.00 45.48 C ATOM 1621 CG TYR B 49 15.786 80.313 8.814 1.00 49.04 C ATOM 1622 CD1 TYR B 49 15.590 79.723 7.564 1.00 51.84 C ATOM 1623 CD2 TYR B 49 14.740 81.056 9.365 1.00 50.08 C ATOM 1624 CE1 TYR B 49 14.384 79.871 6.877 1.00 52.65 C ATOM 1625 CE2 TYR B 49 13.532 81.210 8.691 1.00 51.81 C ATOM 1626 CZ TYR B 49 13.362 80.616 7.446 1.00 53.63 C ATOM 1627 OH TYR B 49 12.179 80.778 6.759 1.00 54.42 O ATOM 1628 HA TYR B 49 16.435 79.192 11.386 1.00 0.00 H ATOM 1629 HB3 TYR B 49 17.882 79.973 8.824 1.00 0.00 H ATOM 1630 HB2 TYR B 49 17.297 81.063 10.103 1.00 0.00 H ATOM 1631 HD2 TYR B 49 14.872 81.524 10.341 1.00 0.00 H ATOM 1632 HE2 TYR B 49 12.725 81.792 9.136 1.00 0.00 H ATOM 1633 HE1 TYR B 49 14.247 79.405 5.901 1.00 0.00 H ATOM 1634 HD1 TYR B 49 16.393 79.137 7.117 1.00 0.00 H ATOM 1635 HH TYR B 49 11.433 80.417 7.300 1.00 0.00 H ATOM 1636 H TYR B 49 19.226 78.534 10.460 1.00 0.00 H ATOM 1637 N GLY B 50 15.381 77.299 10.175 1.00 40.42 N ATOM 1638 CA GLY B 50 14.851 76.086 9.580 1.00 39.42 C ATOM 1639 C GLY B 50 13.554 75.581 10.184 1.00 39.11 C ATOM 1640 O GLY B 50 12.869 76.303 10.911 1.00 39.81 O ATOM 1641 HA3 GLY B 50 15.601 75.302 9.688 1.00 0.00 H ATOM 1642 HA2 GLY B 50 14.678 76.278 8.521 1.00 0.00 H ATOM 1643 H GLY B 50 14.796 77.859 10.828 1.00 0.00 H ATOM 1644 N LEU B 51 13.235 74.324 9.888 1.00 36.71 N ATOM 1645 CA LEU B 51 12.009 73.685 10.355 1.00 34.53 C ATOM 1646 C LEU B 51 12.179 72.899 11.645 1.00 33.02 C ATOM 1647 O LEU B 51 13.250 72.367 11.937 1.00 32.46 O ATOM 1648 CB LEU B 51 11.482 72.737 9.278 1.00 36.52 C ATOM 1649 CG LEU B 51 11.319 73.317 7.872 1.00 38.09 C ATOM 1650 CD1 LEU B 51 10.994 72.201 6.894 1.00 40.09 C ATOM 1651 CD2 LEU B 51 10.224 74.368 7.878 1.00 40.86 C ATOM 1652 HA LEU B 51 11.307 74.494 10.559 1.00 0.00 H ATOM 1653 HB2 LEU B 51 12.173 71.896 9.211 1.00 0.00 H ATOM 1654 HB3 LEU B 51 10.505 72.378 9.603 1.00 0.00 H ATOM 1655 HG LEU B 51 12.250 73.790 7.558 1.00 0.00 H ATOM 1656 HD21 LEU B 51 9.286 73.911 8.193 1.00 0.00 H ATOM 1657 HD22 LEU B 51 10.492 75.166 8.571 1.00 0.00 H ATOM 1658 HD23 LEU B 51 10.111 74.779 6.875 1.00 0.00 H ATOM 1659 HD11 LEU B 51 11.805 71.472 6.894 1.00 0.00 H ATOM 1660 HD12 LEU B 51 10.066 71.714 7.195 1.00 0.00 H ATOM 1661 HD13 LEU B 51 10.879 72.618 5.894 1.00 0.00 H ATOM 1662 H LEU B 51 13.889 73.772 9.297 1.00 0.00 H ATOM 1663 N PHE B 52 11.098 72.817 12.410 1.00 32.65 N ATOM 1664 CA PHE B 52 11.098 72.082 13.666 1.00 31.85 C ATOM 1665 C PHE B 52 9.672 71.661 13.995 1.00 32.28 C ATOM 1666 O PHE B 52 8.710 72.238 13.486 1.00 32.77 O ATOM 1667 CB PHE B 52 11.650 72.948 14.803 1.00 30.50 C ATOM 1668 CG PHE B 52 10.812 74.162 15.111 1.00 28.56 C ATOM 1669 CD1 PHE B 52 11.032 75.363 14.447 1.00 24.92 C ATOM 1670 CD2 PHE B 52 9.798 74.099 16.066 1.00 28.06 C ATOM 1671 CE1 PHE B 52 10.261 76.482 14.729 1.00 27.09 C ATOM 1672 CE2 PHE B 52 9.015 75.219 16.355 1.00 27.25 C ATOM 1673 CZ PHE B 52 9.247 76.411 15.687 1.00 26.46 C ATOM 1674 HA PHE B 52 11.735 71.204 13.561 1.00 0.00 H ATOM 1675 HB2 PHE B 52 11.710 72.335 15.703 1.00 0.00 H ATOM 1676 HB3 PHE B 52 12.650 73.283 14.525 1.00 0.00 H ATOM 1677 HD2 PHE B 52 9.614 73.163 16.594 1.00 0.00 H ATOM 1678 HE2 PHE B 52 8.225 75.156 17.103 1.00 0.00 H ATOM 1679 HZ PHE B 52 8.641 77.289 15.908 1.00 0.00 H ATOM 1680 HE1 PHE B 52 10.447 77.418 14.202 1.00 0.00 H ATOM 1681 HD1 PHE B 52 11.819 75.427 13.696 1.00 0.00 H ATOM 1682 H PHE B 52 10.225 73.292 12.103 1.00 0.00 H ATOM 1683 N PRO B 53 9.519 70.643 14.853 1.00 33.55 N ATOM 1684 CA PRO B 53 8.201 70.143 15.253 1.00 34.76 C ATOM 1685 C PRO B 53 7.424 71.181 16.060 1.00 36.24 C ATOM 1686 O PRO B 53 7.869 71.607 17.129 1.00 35.52 O ATOM 1687 CB PRO B 53 8.540 68.920 16.093 1.00 33.95 C ATOM 1688 CG PRO B 53 9.860 68.481 15.554 1.00 32.09 C ATOM 1689 CD PRO B 53 10.582 69.779 15.390 1.00 33.20 C ATOM 1690 HA PRO B 53 7.556 69.915 14.404 1.00 0.00 H ATOM 1691 HD3 PRO B 53 10.953 70.151 16.345 1.00 0.00 H ATOM 1692 HD2 PRO B 53 11.412 69.687 14.690 1.00 0.00 H ATOM 1693 HG3 PRO B 53 9.746 67.968 14.599 1.00 0.00 H ATOM 1694 HG2 PRO B 53 10.376 67.827 16.257 1.00 0.00 H ATOM 1695 HB2 PRO B 53 8.617 69.181 17.148 1.00 0.00 H ATOM 1696 HB3 PRO B 53 7.789 68.140 15.967 1.00 0.00 H ATOM 1697 N ALA B 54 6.267 71.584 15.548 1.00 36.52 N ATOM 1698 CA ALA B 54 5.443 72.563 16.240 1.00 38.35 C ATOM 1699 C ALA B 54 5.077 72.088 17.643 1.00 39.87 C ATOM 1700 O ALA B 54 4.980 72.896 18.562 1.00 42.57 O ATOM 1701 CB ALA B 54 4.181 72.843 15.441 1.00 38.16 C ATOM 1702 HA ALA B 54 6.022 73.482 16.334 1.00 0.00 H ATOM 1703 HB1 ALA B 54 4.453 73.233 14.460 1.00 0.00 H ATOM 1704 HB2 ALA B 54 3.615 71.919 15.322 1.00 0.00 H ATOM 1705 HB3 ALA B 54 3.573 73.577 15.970 1.00 0.00 H ATOM 1706 H ALA B 54 5.945 71.194 14.639 1.00 0.00 H ATOM 1707 N ASN B 55 4.892 70.781 17.813 1.00 40.01 N ATOM 1708 CA ASN B 55 4.522 70.226 19.113 1.00 41.16 C ATOM 1709 C ASN B 55 5.674 70.158 20.119 1.00 41.69 C ATOM 1710 O ASN B 55 5.468 69.799 21.278 1.00 42.74 O ATOM 1711 CB ASN B 55 3.907 68.827 18.939 1.00 43.03 C ATOM 1712 CG ASN B 55 4.918 67.789 18.462 1.00 48.31 C ATOM 1713 OD1 ASN B 55 5.637 68.007 17.483 1.00 50.82 O ATOM 1714 ND2 ASN B 55 4.969 66.647 19.149 1.00 48.70 N ATOM 1715 HA ASN B 55 3.791 70.919 19.530 1.00 0.00 H ATOM 1716 HB2 ASN B 55 3.502 68.503 19.898 1.00 0.00 H ATOM 1717 HB3 ASN B 55 3.101 68.890 18.208 1.00 0.00 H ATOM 1718 HD22 ASN B 55 4.345 66.505 19.968 1.00 0.00 H ATOM 1719 HD21 ASN B 55 5.633 65.899 18.865 1.00 0.00 H ATOM 1720 H ASN B 55 5.013 70.141 17.003 1.00 0.00 H ATOM 1721 N TYR B 56 6.880 70.507 19.681 1.00 41.29 N ATOM 1722 CA TYR B 56 8.051 70.471 20.558 1.00 39.68 C ATOM 1723 C TYR B 56 8.336 71.786 21.273 1.00 39.37 C ATOM 1724 O TYR B 56 9.225 71.855 22.123 1.00 40.10 O ATOM 1725 CB TYR B 56 9.285 70.050 19.762 1.00 38.61 C ATOM 1726 CG TYR B 56 9.494 68.556 19.709 1.00 37.42 C ATOM 1727 CD1 TYR B 56 8.458 67.696 19.331 1.00 38.39 C ATOM 1728 CD2 TYR B 56 10.718 67.998 20.060 1.00 36.54 C ATOM 1729 CE1 TYR B 56 8.641 66.315 19.311 1.00 36.18 C ATOM 1730 CE2 TYR B 56 10.911 66.628 20.043 1.00 37.36 C ATOM 1731 CZ TYR B 56 9.868 65.790 19.669 1.00 37.88 C ATOM 1732 OH TYR B 56 10.062 64.428 19.668 1.00 39.95 O ATOM 1733 HA TYR B 56 7.819 69.742 21.334 1.00 0.00 H ATOM 1734 HB3 TYR B 56 10.163 70.504 20.222 1.00 0.00 H ATOM 1735 HB2 TYR B 56 9.179 70.419 18.742 1.00 0.00 H ATOM 1736 HD2 TYR B 56 11.540 68.651 20.354 1.00 0.00 H ATOM 1737 HE2 TYR B 56 11.877 66.208 20.322 1.00 0.00 H ATOM 1738 HE1 TYR B 56 7.825 65.656 19.016 1.00 0.00 H ATOM 1739 HD1 TYR B 56 7.492 68.113 19.047 1.00 0.00 H ATOM 1740 HH TYR B 56 9.229 63.977 19.379 1.00 0.00 H ATOM 1741 H TYR B 56 6.994 70.812 18.693 1.00 0.00 H ATOM 1742 N VAL B 57 7.578 72.825 20.939 1.00 38.44 N ATOM 1743 CA VAL B 57 7.765 74.131 21.558 1.00 37.84 C ATOM 1744 C VAL B 57 6.441 74.679 22.080 1.00 39.87 C ATOM 1745 O VAL B 57 5.367 74.238 21.658 1.00 40.49 O ATOM 1746 CB VAL B 57 8.342 75.153 20.545 1.00 36.66 C ATOM 1747 CG1 VAL B 57 9.500 74.529 19.775 1.00 30.80 C ATOM 1748 CG2 VAL B 57 7.245 75.626 19.594 1.00 33.33 C ATOM 1749 HA VAL B 57 8.465 73.994 22.383 1.00 0.00 H ATOM 1750 HB VAL B 57 8.720 76.020 21.087 1.00 0.00 H ATOM 1751 HG11 VAL B 57 10.283 74.236 20.474 1.00 0.00 H ATOM 1752 HG12 VAL B 57 9.145 73.651 19.236 1.00 0.00 H ATOM 1753 HG13 VAL B 57 9.897 75.256 19.067 1.00 0.00 H ATOM 1754 HG21 VAL B 57 6.843 74.771 19.051 1.00 0.00 H ATOM 1755 HG22 VAL B 57 6.449 76.100 20.167 1.00 0.00 H ATOM 1756 HG23 VAL B 57 7.663 76.343 18.888 1.00 0.00 H ATOM 1757 H VAL B 57 6.836 72.704 20.221 1.00 0.00 H ATOM 1758 N GLU B 58 6.520 75.638 22.998 1.00 40.03 N ATOM 1759 CA GLU B 58 5.321 76.261 23.550 1.00 40.84 C ATOM 1760 C GLU B 58 5.389 77.741 23.248 1.00 39.80 C ATOM 1761 O GLU B 58 6.340 78.412 23.642 1.00 40.20 O ATOM 1762 CB GLU B 58 5.235 76.071 25.068 1.00 42.61 C ATOM 1763 CG GLU B 58 3.931 76.603 25.662 1.00 48.10 C ATOM 1764 CD GLU B 58 3.915 76.610 27.184 1.00 51.70 C ATOM 1765 OE1 GLU B 58 4.267 75.579 27.799 1.00 52.73 O ATOM 1766 OE2 GLU B 58 3.538 77.649 27.768 1.00 53.65 O ATOM 1767 HA GLU B 58 4.442 75.797 23.102 1.00 0.00 H ATOM 1768 HB2 GLU B 58 5.310 75.007 25.290 1.00 0.00 H ATOM 1769 HB3 GLU B 58 6.069 76.597 25.532 1.00 0.00 H ATOM 1770 HG2 GLU B 58 3.783 77.624 25.310 1.00 0.00 H ATOM 1771 HG3 GLU B 58 3.111 75.977 25.311 1.00 0.00 H ATOM 1772 H GLU B 58 7.455 75.950 23.329 1.00 0.00 H ATOM 1773 N LEU B 59 4.390 78.255 22.544 1.00 40.30 N ATOM 1774 CA LEU B 59 4.379 79.674 22.218 1.00 41.04 C ATOM 1775 C LEU B 59 4.457 80.497 23.500 1.00 41.29 C ATOM 1776 O LEU B 59 3.847 80.158 24.515 1.00 41.67 O ATOM 1777 CB LEU B 59 3.113 80.039 21.441 1.00 38.96 C ATOM 1778 CG LEU B 59 3.019 79.468 20.025 1.00 41.09 C ATOM 1779 CD1 LEU B 59 1.609 79.675 19.485 1.00 41.62 C ATOM 1780 CD2 LEU B 59 4.053 80.134 19.128 1.00 38.43 C ATOM 1781 HA LEU B 59 5.244 79.895 21.592 1.00 0.00 H ATOM 1782 HB2 LEU B 59 2.255 79.676 22.007 1.00 0.00 H ATOM 1783 HB3 LEU B 59 3.065 81.126 21.369 1.00 0.00 H ATOM 1784 HG LEU B 59 3.227 78.398 20.045 1.00 0.00 H ATOM 1785 HD21 LEU B 59 3.867 81.208 19.096 1.00 0.00 H ATOM 1786 HD22 LEU B 59 5.051 79.948 19.526 1.00 0.00 H ATOM 1787 HD23 LEU B 59 3.979 79.721 18.122 1.00 0.00 H ATOM 1788 HD11 LEU B 59 0.895 79.164 20.131 1.00 0.00 H ATOM 1789 HD12 LEU B 59 1.383 80.741 19.463 1.00 0.00 H ATOM 1790 HD13 LEU B 59 1.544 79.267 18.476 1.00 0.00 H ATOM 1791 H LEU B 59 3.612 77.643 22.224 1.00 0.00 H ATOM 1792 N ARG B 60 5.228 81.571 23.457 1.00 41.02 N ATOM 1793 CA ARG B 60 5.371 82.433 24.616 1.00 42.36 C ATOM 1794 C ARG B 60 5.991 83.738 24.166 1.00 42.54 C ATOM 1795 O ARG B 60 7.122 83.763 23.688 1.00 42.74 O ATOM 1796 CB ARG B 60 6.255 81.769 25.677 1.00 41.23 C ATOM 1797 CG ARG B 60 6.249 82.495 27.020 1.00 43.05 C ATOM 1798 CD ARG B 60 7.076 81.763 28.067 1.00 41.66 C ATOM 1799 NE ARG B 60 6.510 80.462 28.403 1.00 44.45 N ATOM 1800 CZ ARG B 60 7.162 79.511 29.068 1.00 47.14 C ATOM 1801 NH1 ARG B 60 8.412 79.713 29.472 1.00 47.60 N ATOM 1802 NH2 ARG B 60 6.568 78.353 29.329 1.00 47.55 N ATOM 1803 HA ARG B 60 4.392 82.615 25.061 1.00 0.00 H ATOM 1804 HB2 ARG B 60 5.899 80.751 25.834 1.00 0.00 H ATOM 1805 HB3 ARG B 60 7.279 81.741 25.305 1.00 0.00 H ATOM 1806 HG2 ARG B 60 6.661 83.495 26.882 1.00 0.00 H ATOM 1807 HG3 ARG B 60 5.221 82.572 27.374 1.00 0.00 H ATOM 1808 HD2 ARG B 60 7.118 82.372 28.970 1.00 0.00 H ATOM 1809 HD3 ARG B 60 8.085 81.618 27.680 1.00 0.00 H ATOM 1810 HE ARG B 60 5.534 80.264 28.104 1.00 0.00 H ATOM 1811 HH12 ARG B 60 8.918 78.967 29.991 1.00 0.00 H ATOM 1812 HH11 ARG B 60 8.885 80.617 29.269 1.00 0.00 H ATOM 1813 HH22 ARG B 60 7.080 77.612 29.849 1.00 0.00 H ATOM 1814 HH21 ARG B 60 5.591 78.187 29.014 1.00 0.00 H ATOM 1815 H ARG B 60 5.739 81.801 22.581 1.00 0.00 H ATOM 1816 N GLN B 61 5.243 84.825 24.306 1.00 44.52 N ATOM 1817 CA GLN B 61 5.746 86.129 23.899 1.00 47.46 C ATOM 1818 C GLN B 61 6.383 86.891 25.075 1.00 48.19 C ATOM 1819 O GLN B 61 6.168 86.490 26.243 1.00 47.11 O ATOM 1820 CB GLN B 61 4.608 86.951 23.278 1.00 45.62 C ATOM 1821 CG GLN B 61 3.809 86.195 22.212 1.00 46.95 C ATOM 1822 CD GLN B 61 4.689 85.531 21.152 1.00 47.07 C ATOM 1823 OE1 GLN B 61 5.506 86.190 20.501 1.00 47.92 O ATOM 1824 NE2 GLN B 61 4.518 84.222 20.973 1.00 41.90 N ATOM 1825 HA GLN B 61 6.528 85.972 23.156 1.00 0.00 H ATOM 1826 OXT GLN B 61 7.093 87.888 24.810 1.00 49.96 O ATOM 1827 HB2 GLN B 61 3.925 87.248 24.074 1.00 0.00 H ATOM 1828 HB3 GLN B 61 5.038 87.841 22.819 1.00 0.00 H ATOM 1829 HG2 GLN B 61 3.219 85.423 22.705 1.00 0.00 H ATOM 1830 HG3 GLN B 61 3.141 86.899 21.716 1.00 0.00 H ATOM 1831 HE22 GLN B 61 3.818 83.706 21.544 1.00 0.00 H ATOM 1832 HE21 GLN B 61 5.084 83.716 20.263 1.00 0.00 H ATOM 1833 H GLN B 61 4.288 84.745 24.710 1.00 0.00 H TER 1834 GLN B 61 HETATM 1835 O HOH 1 11.086 41.823 18.002 1.00 25.47 O HETATM 1836 O HOH 2 20.228 49.492 7.626 1.00 23.94 O HETATM 1837 O HOH 3 15.601 64.404 17.133 1.00 31.72 O HETATM 1838 O HOH 4 19.858 53.513 4.110 1.00 33.44 O HETATM 1839 O HOH 5 20.070 47.573 11.234 1.00 28.93 O HETATM 1840 O HOH 6 21.512 53.876 14.451 1.00 28.75 O HETATM 1841 O HOH 7 13.985 52.056 26.511 1.00 30.89 O HETATM 1842 O HOH 8 22.459 54.575 5.896 1.00 39.91 O HETATM 1843 O HOH 9 13.297 63.418 8.807 1.00 34.86 O HETATM 1844 O HOH 10 19.949 45.813 13.098 1.00 33.76 O HETATM 1845 O HOH 11 13.099 63.965 18.720 1.00 43.76 O HETATM 1846 O HOH 12 5.992 44.208 20.276 1.00 30.55 O HETATM 1847 O HOH 13 21.953 57.141 11.262 1.00 37.75 O HETATM 1848 O HOH 14 25.744 53.273 13.495 1.00 42.02 O HETATM 1849 O HOH 15 14.535 56.380 27.801 1.00 48.50 O HETATM 1850 O HOH 16 5.780 43.199 8.451 1.00 47.24 O HETATM 1851 O HOH 17 4.688 57.969 8.619 1.00 39.01 O HETATM 1852 O HOH 18 22.132 62.669 17.096 1.00 44.58 O HETATM 1853 O HOH 19 20.219 59.787 10.934 1.00 57.46 O HETATM 1854 O HOH 20 12.218 53.980 2.580 1.00 49.23 O HETATM 1855 O HOH 21 12.736 60.048 2.962 1.00 43.93 O HETATM 1856 O HOH 22 13.881 61.892 5.212 1.00 43.79 O HETATM 1857 O HOH 23 25.253 55.024 8.755 1.00 41.64 O HETATM 1858 O HOH 24 0.492 52.750 16.826 1.00 40.86 O HETATM 1859 O HOH 25 0.982 54.678 23.341 1.00 55.44 O HETATM 1860 O HOH 26 18.147 49.477 2.643 1.00 43.21 O HETATM 1861 O HOH 27 3.736 54.084 5.629 1.00 63.78 O HETATM 1862 O HOH 28 18.277 38.428 18.539 1.00 46.36 O HETATM 1863 O HOH 29 20.241 53.241 24.422 1.00 43.77 O HETATM 1864 O HOH 30 19.609 61.192 9.162 1.00 52.59 O HETATM 1865 O HOH 31 6.246 47.122 4.725 1.00 45.98 O HETATM 1866 O HOH 32 23.737 55.190 13.728 1.00 47.41 O HETATM 1867 O HOH 33 11.810 37.745 4.585 1.00 63.19 O HETATM 1868 O HOH 34 17.606 33.055 12.078 1.00 47.13 O HETATM 1869 O HOH 35 26.973 54.466 6.976 1.00 53.56 O HETATM 1870 O HOH 36 13.996 53.670 28.462 1.00 47.34 O HETATM 1871 O HOH 37 11.243 56.397 1.744 1.00 45.85 O HETATM 1872 O HOH 38 22.913 58.007 16.963 1.00 48.39 O HETATM 1873 O HOH 39 12.161 42.317 25.893 1.00 59.45 O HETATM 1874 O HOH 40 20.546 34.778 18.399 1.00 59.43 O HETATM 1875 O HOH 41 22.270 55.470 17.469 1.00 65.12 O HETATM 1876 O HOH 42 15.340 33.121 13.287 1.00 64.02 O HETATM 1877 O HOH 43 9.407 39.491 18.631 1.00 55.83 O HETATM 1878 O HOH 44 22.038 57.992 20.020 1.00 39.43 O HETATM 1879 O HOH 45 21.006 55.439 2.734 1.00 52.82 O HETATM 1880 O HOH 46 17.879 53.444 -1.069 1.00 66.37 O HETATM 1881 O HOH 47 18.593 60.676 28.261 1.00 55.26 O HETATM 1882 O HOH 48 16.131 50.334 -1.982 1.00 57.70 O HETATM 1883 O HOH 49 10.064 45.922 25.779 1.00 60.03 O HETATM 1884 O HOH 50 4.980 57.472 16.688 1.00 40.66 O HETATM 1885 O HOH 51 9.118 41.290 10.994 1.00 38.78 O HETATM 1886 O HOH 52 7.642 43.148 10.700 1.00 36.16 O HETATM 1887 O HOH 53 23.953 44.468 17.878 1.00 47.48 O HETATM 1888 O HOH 54 5.723 38.038 6.678 1.00 54.15 O HETATM 1889 O HOH 55 6.449 38.613 12.686 1.00 57.63 O HETATM 1890 O HOH 56 7.281 34.901 11.428 1.00 59.72 O HETATM 1891 O HOH 57 18.967 56.744 2.887 1.00 49.06 O HETATM 1892 O HOH 58 20.272 60.115 5.107 1.00 49.49 O HETATM 1893 O HOH 59 2.120 52.949 2.997 1.00 61.93 O HETATM 1894 O HOH 60 19.362 83.134 17.321 1.00 28.71 O HETATM 1895 O HOH 61 15.514 63.894 14.224 1.00 32.42 O HETATM 1896 O HOH 62 15.955 79.699 28.535 1.00 30.67 O HETATM 1897 O HOH 63 7.438 85.724 13.505 1.00 34.00 O HETATM 1898 O HOH 64 17.654 81.253 19.912 1.00 34.75 O HETATM 1899 O HOH 65 17.742 79.827 23.551 1.00 38.66 O HETATM 1900 O HOH 66 19.690 75.413 16.246 1.00 37.25 O HETATM 1901 O HOH 67 18.448 75.600 26.657 1.00 34.62 O HETATM 1902 O HOH 68 14.092 75.600 5.828 1.00 49.89 O HETATM 1903 O HOH 69 8.214 89.547 19.682 1.00 44.34 O HETATM 1904 O HOH 70 1.711 76.291 21.736 1.00 40.00 O HETATM 1905 O HOH 71 21.401 67.158 13.519 1.00 50.30 O HETATM 1906 O HOH 72 20.595 72.000 20.146 1.00 53.63 O HETATM 1907 O HOH 73 12.134 65.107 10.290 1.00 39.23 O HETATM 1908 O HOH 74 2.860 66.770 15.681 1.00 52.76 O HETATM 1909 O HOH 75 2.570 67.878 10.306 1.00 50.52 O HETATM 1910 O HOH 76 23.356 77.079 16.800 1.00 49.19 O HETATM 1911 O HOH 77 21.129 77.945 9.309 1.00 47.70 O HETATM 1912 O HOH 78 13.638 66.012 25.893 1.00 47.60 O HETATM 1913 O HOH 79 22.013 68.733 9.905 1.00 55.60 O HETATM 1914 O HOH 80 21.063 75.396 25.001 1.00 57.17 O HETATM 1915 O HOH 81 16.752 83.131 18.058 1.00 48.28 O HETATM 1916 O HOH 82 19.384 68.894 20.616 1.00 48.82 O HETATM 1917 O HOH 83 20.970 71.180 10.700 1.00 42.17 O HETATM 1918 O HOH 84 13.407 84.118 5.715 1.00 54.51 O HETATM 1919 O HOH 85 2.938 76.832 30.963 1.00 60.46 O HETATM 1920 O HOH 86 23.692 64.802 16.975 1.00 50.25 O HETATM 1921 O HOH 87 12.665 64.262 12.851 1.00 38.29 O HETATM 1922 O HOH 88 4.192 68.963 15.283 1.00 38.68 O HETATM 1923 O HOH 89 17.312 73.330 31.185 1.00 50.89 O HETATM 1924 O HOH 90 11.523 68.627 7.285 1.00 50.95 O HETATM 1925 O HOH 91 19.337 67.695 4.112 1.00 45.76 O HETATM 1926 O HOH 92 9.280 86.833 11.942 1.00 45.20 O HETATM 1927 O HOH 93 8.658 89.979 25.383 1.00 50.39 O HETATM 1928 O HOH 94 0.364 68.953 9.173 1.00 54.74 O HETATM 1929 O HOH 95 22.122 66.031 10.931 1.00 54.69 O HETATM 1930 O HOH 96 18.528 93.876 12.533 1.00 64.39 O HETATM 1931 O HOH 97 2.288 81.423 10.459 1.00 60.94 O HETATM 1932 O HOH 98 22.872 73.325 14.926 1.00 54.35 O HETATM 1933 O HOH 99 1.005 78.070 25.739 1.00 58.99 O HETATM 1934 O HOH 100 16.045 87.468 15.076 1.00 53.76 O HETATM 1935 O HOH 101 5.930 91.660 13.822 1.00 65.16 O HETATM 1936 O HOH 102 2.850 74.664 19.955 1.00 63.89 O HETATM 1937 O HOH 103 18.338 90.827 12.517 1.00 54.50 O HETATM 1938 O HOH 104 2.667 90.606 14.239 1.00 52.72 O HETATM 1939 O HOH 105 -1.095 69.791 14.197 1.00 52.74 O HETATM 1940 O HOH 106 4.953 89.630 15.161 1.00 59.97 O HETATM 1941 O HOH 107 4.155 69.276 23.411 1.00 46.60 O HETATM 1942 O HOH 108 22.801 74.614 17.317 1.00 55.93 O HETATM 1943 O HOH 109 25.233 73.307 13.241 1.00 60.97 O HETATM 1944 O HOH 110 18.101 72.402 28.999 1.00 55.94 O HETATM 1945 O HOH 111 23.025 70.723 15.919 1.00 39.73 O HETATM 1946 O HOH 112 24.696 74.208 19.185 1.00 35.22 O HETATM 1947 O HOH 113 8.468 58.015 30.120 1.00 51.52 O HETATM 1948 O HOH 114 5.863 62.533 4.103 1.00 64.19 O HETATM 1949 N LYS A 115 7.723 60.254 28.670 1.00 0.24 N HETATM 1950 CA LYS A 115 8.634 60.757 27.601 1.00 0.07 C HETATM 1951 CB LYS A 115 9.152 59.588 26.753 1.00 0.01 C HETATM 1952 CG LYS A 115 10.223 59.963 25.727 1.00 -0.04 C HETATM 1953 CD LYS A 115 10.742 58.723 25.010 1.00 -0.01 C HETATM 1954 CE LYS A 115 11.778 59.066 23.947 1.00 -0.04 C HETATM 1955 NZ LYS A 115 13.031 59.649 24.505 1.00 0.22 N HETATM 1956 H13 LYS A 115 13.671 59.852 23.753 1.00 0.20 H HETATM 1957 H14 LYS A 115 13.455 58.990 25.138 1.00 0.20 H HETATM 1958 H15 LYS A 115 12.814 60.499 25.001 1.00 0.20 H HETATM 1959 H11 LYS A 115 11.335 59.794 23.251 1.00 0.08 H HETATM 1960 H12 LYS A 115 12.035 58.146 23.401 1.00 0.08 H HETATM 1961 H9 LYS A 115 9.896 58.212 24.528 1.00 0.03 H HETATM 1962 H10 LYS A 115 11.202 58.052 25.750 1.00 0.03 H HETATM 1963 H7 LYS A 115 11.059 60.458 26.243 1.00 0.03 H HETATM 1964 H8 LYS A 115 9.789 60.652 24.988 1.00 0.03 H HETATM 1965 H5 LYS A 115 8.298 59.153 26.213 1.00 0.03 H HETATM 1966 H6 LYS A 115 9.578 58.835 27.432 1.00 0.03 H HETATM 1967 C LYS A 115 7.890 61.746 26.712 1.00 0.23 C HETATM 1968 O LYS A 115 6.657 61.792 26.719 1.00 -0.39 O HETATM 1969 N LYS A 115 8.643 62.536 25.952 1.00 -0.26 N HETATM 1970 CA LYS A 115 8.056 63.525 25.057 1.00 0.13 C HETATM 1971 CB LYS A 115 9.139 64.431 24.472 1.00 -0.01 C HETATM 1972 CG LYS A 115 10.133 63.716 23.565 1.00 -0.02 C HETATM 1973 CD LYS A 115 10.993 64.726 22.826 1.00 0.06 C HETATM 1974 NE LYS A 115 11.999 64.124 21.954 1.00 -0.27 N HETATM 1975 CZ LYS A 115 13.067 63.456 22.383 1.00 0.29 C HETATM 1976 NH2 LYS A 115 13.938 62.965 21.512 1.00 -0.28 N HETATM 1977 H27 LYS A 115 13.781 63.088 20.502 1.00 0.26 H HETATM 1978 H28 LYS A 115 14.772 62.460 21.846 1.00 0.26 H HETATM 1979 NH1 LYS A 115 13.275 63.294 23.682 1.00 -0.28 N HETATM 1980 H25 LYS A 115 14.103 62.776 24.010 1.00 0.26 H HETATM 1981 H26 LYS A 115 12.609 63.686 24.363 1.00 0.26 H HETATM 1982 H24 LYS A 115 11.873 64.224 20.937 1.00 0.26 H HETATM 1983 H22 LYS A 115 11.509 65.351 23.570 1.00 0.07 H HETATM 1984 H23 LYS A 115 10.335 65.357 22.211 1.00 0.07 H HETATM 1985 H20 LYS A 115 9.583 63.104 22.835 1.00 0.03 H HETATM 1986 H21 LYS A 115 10.779 63.067 24.175 1.00 0.03 H HETATM 1987 H18 LYS A 115 9.697 64.883 25.305 1.00 0.03 H HETATM 1988 H19 LYS A 115 8.647 65.222 23.887 1.00 0.03 H HETATM 1989 C LYS A 115 7.329 62.837 23.916 1.00 0.21 C HETATM 1990 O LYS A 115 7.551 61.660 23.649 1.00 -0.39 O HETATM 1991 N LYS A 115 6.446 63.567 23.225 1.00 -0.25 N HETATM 1992 CA LYS A 115 5.720 62.960 22.110 1.00 0.13 C HETATM 1993 C LYS A 115 6.646 62.813 20.902 1.00 0.21 C HETATM 1994 O LYS A 115 7.608 63.561 20.752 1.00 -0.39 O HETATM 1995 N LYS A 115 6.374 61.834 20.032 1.00 -0.25 N HETATM 1996 CA LYS A 115 7.239 61.670 18.862 1.00 0.13 C HETATM 1997 C LYS A 115 7.027 62.827 17.898 1.00 0.21 C HETATM 1998 O LYS A 115 5.966 63.441 17.885 1.00 -0.39 O HETATM 1999 N LYS A 115 8.041 63.157 17.091 1.00 -0.25 N HETATM 2000 CA LYS A 115 7.834 64.265 16.165 1.00 0.13 C HETATM 2001 C LYS A 115 6.990 63.777 15.004 1.00 0.21 C HETATM 2002 O LYS A 115 7.039 62.605 14.643 1.00 -0.39 O HETATM 2003 N LYS A 115 6.188 64.664 14.411 1.00 -0.25 N HETATM 2004 CA LYS A 115 5.369 64.217 13.288 1.00 0.13 C HETATM 2005 C LYS A 115 6.270 63.917 12.097 1.00 0.21 C HETATM 2006 O LYS A 115 7.373 64.459 11.994 1.00 -0.39 O HETATM 2007 N LYS A 115 5.826 63.027 11.194 1.00 -0.25 N HETATM 2008 CA LYS A 115 6.640 62.701 10.020 1.00 0.13 C HETATM 2009 C LYS A 115 6.963 64.013 9.302 1.00 0.21 C HETATM 2010 O LYS A 115 6.174 64.954 9.354 1.00 -0.39 O HETATM 2011 N LYS A 115 8.117 64.095 8.623 1.00 -0.25 N HETATM 2012 CA LYS A 115 8.449 65.344 7.929 1.00 0.13 C HETATM 2013 C LYS A 115 7.421 65.717 6.863 1.00 0.20 C HETATM 2014 O LYS A 115 6.767 64.847 6.285 1.00 -0.39 O HETATM 2015 N LYS A 115 7.281 67.016 6.614 1.00 -0.27 N HETATM 2016 CA LYS A 115 6.333 67.479 5.618 1.00 0.13 C HETATM 2017 C LYS A 115 6.702 67.019 4.220 1.00 0.25 C HETATM 2018 O LYS A 115 7.755 66.360 4.072 1.00 -0.37 O HETATM 2019 O1 LYS A 115 5.926 67.309 3.179 1.00 -0.29 O HETATM 2020 H74 LYS A 115 6.421 67.819 2.549 1.00 0.25 H HETATM 2021 H72 LYS A 115 6.310 68.579 5.635 1.00 0.08 H HETATM 2022 H73 LYS A 115 5.336 67.087 5.868 1.00 0.08 H HETATM 2023 H71 LYS A 115 7.834 67.680 7.118 1.00 0.19 H HETATM 2024 CB LYS A 115 9.829 65.055 7.340 1.00 -0.01 C HETATM 2025 CG LYS A 115 9.767 63.590 7.064 1.00 -0.03 C HETATM 2026 CD LYS A 115 9.111 63.051 8.319 1.00 0.04 C HETATM 2027 H69 LYS A 115 8.627 62.081 8.131 1.00 0.05 H HETATM 2028 H70 LYS A 115 9.840 62.944 9.136 1.00 0.05 H HETATM 2029 H67 LYS A 115 9.157 63.378 6.173 1.00 0.03 H HETATM 2030 H68 LYS A 115 10.774 63.168 6.928 1.00 0.03 H HETATM 2031 H65 LYS A 115 10.625 65.289 8.062 1.00 0.03 H HETATM 2032 H66 LYS A 115 9.993 65.626 6.415 1.00 0.03 H HETATM 2033 H64 LYS A 115 8.512 66.172 8.651 1.00 0.08 H HETATM 2034 CB LYS A 115 5.709 61.810 9.197 1.00 -0.01 C HETATM 2035 CG LYS A 115 4.884 61.126 10.245 1.00 -0.03 C HETATM 2036 CD LYS A 115 4.573 62.249 11.204 1.00 0.04 C HETATM 2037 H62 LYS A 115 3.726 62.854 10.848 1.00 0.05 H HETATM 2038 H63 LYS A 115 4.351 61.864 12.210 1.00 0.05 H HETATM 2039 H60 LYS A 115 3.963 60.706 9.814 1.00 0.03 H HETATM 2040 H61 LYS A 115 5.455 60.327 10.741 1.00 0.03 H HETATM 2041 H58 LYS A 115 6.281 61.080 8.605 1.00 0.03 H HETATM 2042 H59 LYS A 115 5.077 62.411 8.526 1.00 0.03 H HETATM 2043 H57 LYS A 115 7.566 62.172 10.289 1.00 0.08 H HETATM 2044 CB LYS A 115 4.458 65.416 13.039 1.00 -0.01 C HETATM 2045 CG LYS A 115 5.351 66.569 13.369 1.00 -0.03 C HETATM 2046 CD LYS A 115 6.020 66.109 14.647 1.00 0.04 C HETATM 2047 H55 LYS A 115 6.992 66.605 14.789 1.00 0.05 H HETATM 2048 H56 LYS A 115 5.380 66.298 15.522 1.00 0.05 H HETATM 2049 H53 LYS A 115 6.090 66.740 12.572 1.00 0.03 H HETATM 2050 H54 LYS A 115 4.769 67.488 13.533 1.00 0.03 H HETATM 2051 H51 LYS A 115 3.578 65.392 13.699 1.00 0.03 H HETATM 2052 H52 LYS A 115 4.128 65.455 11.990 1.00 0.03 H HETATM 2053 H50 LYS A 115 4.782 63.322 13.544 1.00 0.08 H HETATM 2054 CB LYS A 115 9.257 64.630 15.748 1.00 -0.01 C HETATM 2055 CG LYS A 115 9.934 63.311 15.736 1.00 -0.03 C HETATM 2056 CD LYS A 115 9.422 62.651 17.006 1.00 0.04 C HETATM 2057 H48 LYS A 115 9.440 61.555 16.919 1.00 0.05 H HETATM 2058 H49 LYS A 115 10.013 62.959 17.881 1.00 0.05 H HETATM 2059 H46 LYS A 115 9.650 62.729 14.846 1.00 0.03 H HETATM 2060 H47 LYS A 115 11.027 63.428 15.764 1.00 0.03 H HETATM 2061 H44 LYS A 115 9.723 65.310 16.476 1.00 0.03 H HETATM 2062 H45 LYS A 115 9.273 65.094 14.751 1.00 0.03 H HETATM 2063 H43 LYS A 115 7.338 65.117 16.653 1.00 0.08 H HETATM 2064 CB LYS A 115 6.782 60.333 18.286 1.00 -0.01 C HETATM 2065 CG LYS A 115 5.327 60.297 18.645 1.00 -0.03 C HETATM 2066 CD LYS A 115 5.331 60.792 20.070 1.00 0.04 C HETATM 2067 H41 LYS A 115 4.354 61.215 20.349 1.00 0.05 H HETATM 2068 H42 LYS A 115 5.596 59.987 20.771 1.00 0.05 H HETATM 2069 H39 LYS A 115 4.740 60.962 17.994 1.00 0.03 H HETATM 2070 H40 LYS A 115 4.927 59.275 18.580 1.00 0.03 H HETATM 2071 H37 LYS A 115 7.325 59.496 18.749 1.00 0.03 H HETATM 2072 H38 LYS A 115 6.922 60.303 17.195 1.00 0.03 H HETATM 2073 H36 LYS A 115 8.299 61.627 19.152 1.00 0.08 H HETATM 2074 CB LYS A 115 4.592 63.958 21.859 1.00 -0.01 C HETATM 2075 CG LYS A 115 5.264 65.271 22.160 1.00 -0.03 C HETATM 2076 CD LYS A 115 6.004 64.956 23.449 1.00 0.04 C HETATM 2077 H34 LYS A 115 6.862 65.629 23.591 1.00 0.05 H HETATM 2078 H35 LYS A 115 5.335 65.026 24.320 1.00 0.05 H HETATM 2079 H32 LYS A 115 5.961 65.557 21.358 1.00 0.03 H HETATM 2080 H33 LYS A 115 4.526 66.073 22.308 1.00 0.03 H HETATM 2081 H30 LYS A 115 3.743 63.779 22.535 1.00 0.03 H HETATM 2082 H31 LYS A 115 4.246 63.916 20.816 1.00 0.03 H HETATM 2083 H29 LYS A 115 5.317 61.974 22.384 1.00 0.08 H HETATM 2084 H17 LYS A 115 7.341 64.138 25.625 1.00 0.08 H HETATM 2085 H16 LYS A 115 9.638 62.449 25.996 1.00 0.19 H HETATM 2086 H4 LYS A 115 9.489 61.267 28.069 1.00 0.11 H HETATM 2087 H1 LYS A 115 8.220 59.600 29.255 1.00 0.20 H HETATM 2088 H2 LYS A 115 6.932 59.793 28.248 1.00 0.20 H HETATM 2089 H3 LYS A 115 7.402 61.028 29.229 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 925 926 936 937 938 CONECT 936 925 CONECT 937 925 CONECT 938 925 CONECT 1949 1950 2087 2088 2089 CONECT 1950 1949 1951 1967 2086 CONECT 1951 1950 1952 1965 1966 CONECT 1952 1951 1953 1963 1964 CONECT 1953 1952 1954 1961 1962 CONECT 1954 1953 1955 1959 1960 CONECT 1955 1954 1956 1957 1958 CONECT 1956 1955 CONECT 1957 1955 CONECT 1958 1955 CONECT 1959 1954 CONECT 1960 1954 CONECT 1961 1953 CONECT 1962 1953 CONECT 1963 1952 CONECT 1964 1952 CONECT 1965 1951 CONECT 1966 1951 CONECT 1967 1950 1968 1969 CONECT 1968 1967 CONECT 1969 1967 1970 2085 CONECT 1970 1969 1971 1989 2084 CONECT 1971 1970 1972 1987 1988 CONECT 1972 1971 1973 1985 1986 CONECT 1973 1972 1974 1983 1984 CONECT 1974 1973 1975 1982 CONECT 1975 1974 1976 1979 CONECT 1976 1975 1977 1978 CONECT 1977 1976 CONECT 1978 1976 CONECT 1979 1975 1980 1981 CONECT 1980 1979 CONECT 1981 1979 CONECT 1982 1974 CONECT 1983 1973 CONECT 1984 1973 CONECT 1985 1972 CONECT 1986 1972 CONECT 1987 1971 CONECT 1988 1971 CONECT 1989 1970 1990 1991 CONECT 1990 1989 CONECT 1991 1989 1992 2076 CONECT 1992 1991 1993 2074 2083 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 2066 CONECT 1996 1995 1997 2064 2073 CONECT 1997 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 2000 2056 CONECT 2000 1999 2001 2054 2063 CONECT 2001 2000 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 2046 CONECT 2004 2003 2005 2044 2053 CONECT 2005 2004 2006 2007 CONECT 2006 2005 CONECT 2007 2005 2008 2036 CONECT 2008 2007 2009 2034 2043 CONECT 2009 2008 2010 2011 CONECT 2010 2009 CONECT 2011 2009 2012 2026 CONECT 2012 2011 2013 2024 2033 CONECT 2013 2012 2014 2015 CONECT 2014 2013 CONECT 2015 2013 2016 2023 CONECT 2016 2015 2017 2021 2022 CONECT 2017 2016 2018 2019 CONECT 2018 2017 CONECT 2019 2017 2020 CONECT 2020 2019 CONECT 2021 2016 CONECT 2022 2016 CONECT 2023 2015 CONECT 2024 2012 2025 2031 2032 CONECT 2025 2024 2026 2029 2030 CONECT 2026 2011 2025 2027 2028 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2025 CONECT 2030 2025 CONECT 2031 2024 CONECT 2032 2024 CONECT 2033 2012 CONECT 2034 2008 2035 2041 2042 CONECT 2035 2034 2036 2039 2040 CONECT 2036 2007 2035 2037 2038 CONECT 2037 2036 CONECT 2038 2036 CONECT 2039 2035 CONECT 2040 2035 CONECT 2041 2034 CONECT 2042 2034 CONECT 2043 2008 CONECT 2044 2004 2045 2051 2052 CONECT 2045 2044 2046 2049 2050 CONECT 2046 2003 2045 2047 2048 CONECT 2047 2046 CONECT 2048 2046 CONECT 2049 2045 CONECT 2050 2045 CONECT 2051 2044 CONECT 2052 2044 CONECT 2053 2004 CONECT 2054 2000 2055 2061 2062 CONECT 2055 2054 2056 2059 2060 CONECT 2056 1999 2055 2057 2058 CONECT 2057 2056 CONECT 2058 2056 CONECT 2059 2055 CONECT 2060 2055 CONECT 2061 2054 CONECT 2062 2054 CONECT 2063 2000 CONECT 2064 1996 2065 2071 2072 CONECT 2065 2064 2066 2069 2070 CONECT 2066 1995 2065 2067 2068 CONECT 2067 2066 CONECT 2068 2066 CONECT 2069 2065 CONECT 2070 2065 CONECT 2071 2064 CONECT 2072 2064 CONECT 2073 1996 CONECT 2074 1992 2075 2081 2082 CONECT 2075 2074 2076 2079 2080 CONECT 2076 1991 2075 2077 2078 CONECT 2077 2076 CONECT 2078 2076 CONECT 2079 2075 CONECT 2080 2075 CONECT 2081 2074 CONECT 2082 2074 CONECT 2083 1992 CONECT 2084 1970 CONECT 2085 1969 CONECT 2086 1950 CONECT 2087 1949 CONECT 2088 1949 CONECT 2089 1949 MASTER 0 0 0 0 0 0 0 0 2087 2 149 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2d1x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
2d1x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cortactin isoform a
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=7.9uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Proc.Natl.Acad.Sci.Usa Vol. 103: pp. 7036-7041
Ligand Properties
Formula
C
4
4
H
7
4
N
1
3
O
1
0
Molecular Weight
945.139
Exact Mass
944.568
No. of atoms
141
No. of bonds
146
Polar Surface Area
338.65
LOGP Value
-2.93 (
Computed with XLOGP3
)
-4.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C44H71N13O10/c45-18-2-1-10-27(46)36(60)51-28(11-3-19-49-44(47)48)38(62)53-21-5-13-30(53)40(64)55-23-7-15-32(55)42(66)57-25-9-17-34(57)43(67)56-24-8-16-33(56)41(65)54-22-6-14-31(54)39(63)52-20-4-12-29(52)37(61)50-26-35(58)59/h27-34H,1-26,45-46H2,(H,50,61)(H,51,60)(H,58,59)(H4,47,48,49)/p+3/t27-,28-,29-,30-,31-,32-,33-,34-/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):
Q14247
Q9ULH1
Entrez Gene ID
NCBI Entrez Gene ID:
2017
50807
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓