Browse entries in the PDBbind-CN Database
HEADER 3G2U_COMPLEX COMPND 3G2U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 PRO GLU THR LEU GLU ALA ARG ILE ASN ARG ALA THR ASN SEQRES 2 A 140 PRO LEU ASN LYS GLU LEU ASP TRP ALA SER ILE ASN GLY SEQRES 3 A 140 PHE CYS GLU GLN LEU ASN GLU ASP PHE GLU GLY PRO PRO SEQRES 4 A 140 LEU ALA THR ARG LEU LEU ALA HIS LYS ILE GLN SER PRO SEQRES 5 A 140 GLN GLU TRP GLU ALA ILE GLN ALA LEU THR VAL LEU GLU SEQRES 6 A 140 THR CYS MET LYS SER CYS GLY LYS ARG PHE HIS ASP GLU SEQRES 7 A 140 VAL GLY LYS PHE ARG PHE LEU ASN GLU LEU ILE LYS VAL SEQRES 8 A 140 VAL SER PRO LYS TYR LEU GLY SER ARG THR SER GLU LYS SEQRES 9 A 140 VAL LYS ASN LYS ILE LEU GLU LEU LEU TYR SER TRP THR SEQRES 10 A 140 VAL GLY LEU PRO GLU GLU VAL LYS ILE ALA GLU ALA TYR SEQRES 11 A 140 GLN MET LEU LYS LYS GLN GLY ILE VAL LYS HET SER A 223 106 SSBOND 1 CYS A 34 CYS A 73 ATOM 1 N PRO A 7 8.646 14.349 0.544 1.00 89.61 N ATOM 2 CA PRO A 7 9.510 13.173 0.401 1.00 85.25 C ATOM 3 C PRO A 7 9.669 12.718 -1.056 1.00 82.41 C ATOM 4 O PRO A 7 9.170 13.379 -1.975 1.00 85.11 O ATOM 5 CB PRO A 7 8.789 12.098 1.230 1.00 82.95 C ATOM 6 CG PRO A 7 7.409 12.628 1.478 1.00 84.87 C ATOM 7 CD PRO A 7 7.546 14.116 1.494 1.00 89.88 C ATOM 8 HA PRO A 7 10.527 13.379 0.734 1.00 0.00 H ATOM 9 HD3 PRO A 7 6.628 14.599 1.159 1.00 0.00 H ATOM 10 HD2 PRO A 7 7.803 14.477 2.490 1.00 0.00 H ATOM 11 HG3 PRO A 7 7.030 12.270 2.435 1.00 0.00 H ATOM 12 HG2 PRO A 7 6.733 12.317 0.682 1.00 0.00 H ATOM 13 HB2 PRO A 7 8.742 11.160 0.676 1.00 0.00 H ATOM 14 HB3 PRO A 7 9.308 11.935 2.174 1.00 0.00 H ATOM 15 N GLU A 8 10.448 11.658 -1.259 1.00 64.70 N ATOM 16 CA GLU A 8 10.599 11.033 -2.573 1.00 60.09 C ATOM 17 C GLU A 8 9.456 10.061 -2.845 1.00 55.70 C ATOM 18 O GLU A 8 9.006 9.343 -1.939 1.00 54.63 O ATOM 19 CB GLU A 8 11.939 10.292 -2.661 1.00 57.48 C ATOM 20 CG GLU A 8 13.141 11.198 -2.908 1.00 66.47 C ATOM 21 CD GLU A 8 14.372 10.790 -2.107 1.00 71.95 C ATOM 22 OE1 GLU A 8 15.261 10.124 -2.680 1.00 71.95 O ATOM 23 OE2 GLU A 8 14.488 11.199 -0.927 1.00 79.55 O ATOM 24 HA GLU A 8 10.575 11.821 -3.326 1.00 0.00 H ATOM 25 HB2 GLU A 8 12.098 9.761 -1.723 1.00 0.00 H ATOM 26 HB3 GLU A 8 11.879 9.573 -3.478 1.00 0.00 H ATOM 27 HG2 GLU A 8 13.390 11.163 -3.969 1.00 0.00 H ATOM 28 HG3 GLU A 8 12.870 12.217 -2.633 1.00 0.00 H ATOM 29 H GLU A 8 10.969 11.259 -0.453 1.00 0.00 H ATOM 30 N THR A 9 9.009 10.022 -4.100 1.00 48.20 N ATOM 31 CA THR A 9 7.913 9.147 -4.499 1.00 40.92 C ATOM 32 C THR A 9 8.351 7.682 -4.520 1.00 36.38 C ATOM 33 O THR A 9 9.542 7.373 -4.520 1.00 33.03 O ATOM 34 CB THR A 9 7.370 9.523 -5.879 1.00 40.84 C ATOM 35 OG1 THR A 9 8.375 9.250 -6.850 1.00 36.72 O ATOM 36 CG2 THR A 9 7.000 11.014 -5.941 1.00 43.74 C ATOM 37 HA THR A 9 7.124 9.276 -3.758 1.00 0.00 H ATOM 38 HB THR A 9 6.471 8.939 -6.076 1.00 0.00 H ATOM 39 HG1 THR A 9 8.037 9.489 -7.749 1.00 0.00 H ATOM 40 HG23 THR A 9 6.231 11.227 -5.199 1.00 0.00 H ATOM 41 HG21 THR A 9 7.885 11.616 -5.732 1.00 0.00 H ATOM 42 HG22 THR A 9 6.623 11.253 -6.936 1.00 0.00 H ATOM 43 H THR A 9 9.454 10.633 -4.815 1.00 0.00 H ATOM 44 N LEU A 10 7.374 6.790 -4.426 1.00 38.84 N ATOM 45 CA LEU A 10 7.607 5.365 -4.580 1.00 37.22 C ATOM 46 C LEU A 10 8.390 5.010 -5.856 1.00 34.45 C ATOM 47 O LEU A 10 9.329 4.206 -5.810 1.00 30.93 O ATOM 48 CB LEU A 10 6.272 4.609 -4.522 1.00 38.72 C ATOM 49 CG LEU A 10 5.986 3.731 -3.294 1.00 38.30 C ATOM 50 CD1 LEU A 10 6.725 4.214 -2.079 1.00 36.28 C ATOM 51 CD2 LEU A 10 4.496 3.596 -2.997 1.00 37.34 C ATOM 52 HA LEU A 10 8.239 5.052 -3.749 1.00 0.00 H ATOM 53 HB2 LEU A 10 5.477 5.352 -4.580 1.00 0.00 H ATOM 54 HB3 LEU A 10 6.228 3.963 -5.399 1.00 0.00 H ATOM 55 HG LEU A 10 6.355 2.737 -3.547 1.00 0.00 H ATOM 56 HD21 LEU A 10 4.074 4.583 -2.807 1.00 0.00 H ATOM 57 HD22 LEU A 10 3.996 3.144 -3.854 1.00 0.00 H ATOM 58 HD23 LEU A 10 4.358 2.965 -2.119 1.00 0.00 H ATOM 59 HD11 LEU A 10 7.797 4.191 -2.275 1.00 0.00 H ATOM 60 HD12 LEU A 10 6.418 5.234 -1.850 1.00 0.00 H ATOM 61 HD13 LEU A 10 6.495 3.566 -1.234 1.00 0.00 H ATOM 62 H LEU A 10 6.407 7.123 -4.235 1.00 0.00 H ATOM 63 N GLU A 11 8.056 5.667 -6.966 1.00 31.07 N ATOM 64 CA GLU A 11 8.740 5.440 -8.250 1.00 29.49 C ATOM 65 C GLU A 11 10.221 5.763 -8.128 1.00 31.30 C ATOM 66 O GLU A 11 11.070 5.036 -8.643 1.00 29.08 O ATOM 67 CB GLU A 11 8.135 6.330 -9.347 1.00 32.04 C ATOM 68 CG GLU A 11 6.758 5.882 -9.820 1.00 33.18 C ATOM 69 CD GLU A 11 5.636 6.315 -8.885 1.00 42.82 C ATOM 70 OE1 GLU A 11 4.461 6.011 -9.199 1.00 41.87 O ATOM 71 OE2 GLU A 11 5.917 6.996 -7.865 1.00 36.50 O ATOM 72 HA GLU A 11 8.612 4.390 -8.515 1.00 0.00 H ATOM 73 HB2 GLU A 11 8.051 7.345 -8.958 1.00 0.00 H ATOM 74 HB3 GLU A 11 8.810 6.326 -10.203 1.00 0.00 H ATOM 75 HG2 GLU A 11 6.573 6.309 -10.806 1.00 0.00 H ATOM 76 HG3 GLU A 11 6.752 4.794 -9.890 1.00 0.00 H ATOM 77 H GLU A 11 7.286 6.364 -6.924 1.00 0.00 H ATOM 78 N ALA A 12 10.502 6.949 -7.588 1.00 37.67 N ATOM 79 CA ALA A 12 11.855 7.465 -7.492 1.00 39.03 C ATOM 80 C ALA A 12 12.654 6.563 -6.566 1.00 39.46 C ATOM 81 O ALA A 12 13.799 6.206 -6.847 1.00 42.08 O ATOM 82 CB ALA A 12 11.826 8.895 -6.945 1.00 43.42 C ATOM 83 HA ALA A 12 12.321 7.482 -8.477 1.00 0.00 H ATOM 84 HB1 ALA A 12 11.245 9.528 -7.616 1.00 0.00 H ATOM 85 HB2 ALA A 12 11.368 8.895 -5.956 1.00 0.00 H ATOM 86 HB3 ALA A 12 12.845 9.277 -6.875 1.00 0.00 H ATOM 87 H ALA A 12 9.720 7.528 -7.221 1.00 0.00 H ATOM 88 N ARG A 13 12.007 6.155 -5.484 1.00 35.31 N ATOM 89 CA ARG A 13 12.558 5.178 -4.560 1.00 35.45 C ATOM 90 C ARG A 13 12.893 3.852 -5.239 1.00 31.16 C ATOM 91 O ARG A 13 14.017 3.361 -5.131 1.00 30.59 O ATOM 92 CB ARG A 13 11.555 4.931 -3.440 1.00 36.35 C ATOM 93 CG ARG A 13 12.071 5.231 -2.063 1.00 45.37 C ATOM 94 CD ARG A 13 12.525 6.655 -1.932 1.00 45.48 C ATOM 95 NE ARG A 13 13.326 6.851 -0.724 1.00 41.86 N ATOM 96 CZ ARG A 13 12.976 7.646 0.284 1.00 51.77 C ATOM 97 NH1 ARG A 13 13.843 7.884 1.268 1.00 36.16 N ATOM 98 NH2 ARG A 13 11.758 8.206 0.308 1.00 49.33 N ATOM 99 HA ARG A 13 13.489 5.586 -4.167 1.00 0.00 H ATOM 100 HB2 ARG A 13 10.682 5.558 -3.620 1.00 0.00 H ATOM 101 HB3 ARG A 13 11.260 3.882 -3.472 1.00 0.00 H ATOM 102 HG2 ARG A 13 11.276 5.047 -1.341 1.00 0.00 H ATOM 103 HG3 ARG A 13 12.913 4.572 -1.851 1.00 0.00 H ATOM 104 HD2 ARG A 13 11.650 7.304 -1.887 1.00 0.00 H ATOM 105 HD3 ARG A 13 13.126 6.917 -2.803 1.00 0.00 H ATOM 106 HE ARG A 13 14.226 6.336 -0.648 1.00 0.00 H ATOM 107 HH12 ARG A 13 13.575 8.505 2.058 1.00 0.00 H ATOM 108 HH11 ARG A 13 14.787 7.449 1.245 1.00 0.00 H ATOM 109 HH22 ARG A 13 11.487 8.827 1.097 1.00 0.00 H ATOM 110 HH21 ARG A 13 11.085 8.019 -0.462 1.00 0.00 H ATOM 111 H ARG A 13 11.065 6.551 -5.288 1.00 0.00 H ATOM 112 N ILE A 14 11.877 3.215 -5.816 1.00 31.59 N ATOM 113 CA ILE A 14 12.047 1.893 -6.422 1.00 29.20 C ATOM 114 C ILE A 14 13.059 1.901 -7.570 1.00 28.91 C ATOM 115 O ILE A 14 13.842 0.959 -7.721 1.00 30.22 O ATOM 116 CB ILE A 14 10.681 1.258 -6.867 1.00 30.94 C ATOM 117 CG1 ILE A 14 10.761 -0.280 -6.878 1.00 23.81 C ATOM 118 CG2 ILE A 14 10.209 1.816 -8.229 1.00 25.19 C ATOM 119 CD1 ILE A 14 11.438 -0.851 -5.643 1.00 35.47 C ATOM 120 HA ILE A 14 12.457 1.256 -5.639 1.00 0.00 H ATOM 121 HB ILE A 14 9.930 1.542 -6.130 1.00 0.00 H ATOM 122 HG12 ILE A 14 9.749 -0.680 -6.935 1.00 0.00 H ATOM 123 HG13 ILE A 14 11.324 -0.592 -7.758 1.00 0.00 H ATOM 124 HD11 ILE A 14 12.456 -0.467 -5.578 1.00 0.00 H ATOM 125 HD12 ILE A 14 10.880 -0.555 -4.755 1.00 0.00 H ATOM 126 HD13 ILE A 14 11.462 -1.938 -5.713 1.00 0.00 H ATOM 127 HG21 ILE A 14 10.078 2.895 -8.152 1.00 0.00 H ATOM 128 HG22 ILE A 14 10.956 1.593 -8.990 1.00 0.00 H ATOM 129 HG23 ILE A 14 9.261 1.352 -8.501 1.00 0.00 H ATOM 130 H ILE A 14 10.940 3.667 -5.837 1.00 0.00 H ATOM 131 N ASN A 15 13.055 2.967 -8.366 1.00 25.89 N ATOM 132 CA ASN A 15 14.014 3.106 -9.458 1.00 24.95 C ATOM 133 C ASN A 15 15.470 3.158 -9.001 1.00 26.31 C ATOM 134 O ASN A 15 16.337 2.591 -9.662 1.00 25.08 O ATOM 135 CB ASN A 15 13.689 4.330 -10.324 1.00 25.30 C ATOM 136 CG ASN A 15 12.373 4.183 -11.091 1.00 28.33 C ATOM 137 OD1 ASN A 15 11.782 3.100 -11.148 1.00 25.80 O ATOM 138 ND2 ASN A 15 11.913 5.281 -11.689 1.00 28.73 N ATOM 139 HA ASN A 15 13.909 2.199 -10.053 1.00 0.00 H ATOM 140 HB2 ASN A 15 13.620 5.205 -9.678 1.00 0.00 H ATOM 141 HB3 ASN A 15 14.497 4.473 -11.042 1.00 0.00 H ATOM 142 HD22 ASN A 15 12.442 6.173 -11.616 1.00 0.00 H ATOM 143 HD21 ASN A 15 11.025 5.246 -12.229 1.00 0.00 H ATOM 144 H ASN A 15 12.353 3.718 -8.207 1.00 0.00 H ATOM 145 N ARG A 16 15.748 3.906 -7.924 1.00 29.55 N ATOM 146 CA ARG A 16 17.069 3.894 -7.280 1.00 29.22 C ATOM 147 C ARG A 16 17.394 2.534 -6.657 1.00 29.05 C ATOM 148 O ARG A 16 18.529 2.041 -6.756 1.00 27.62 O ATOM 149 CB ARG A 16 17.150 4.968 -6.193 1.00 32.45 C ATOM 150 CG ARG A 16 18.223 6.024 -6.422 1.00 47.51 C ATOM 151 CD ARG A 16 18.177 7.113 -5.346 1.00 62.66 C ATOM 152 NE ARG A 16 16.984 7.962 -5.445 1.00 67.43 N ATOM 153 CZ ARG A 16 16.072 8.109 -4.482 1.00 70.10 C ATOM 154 NH1 ARG A 16 15.060 8.957 -4.656 1.00 63.54 N ATOM 155 NH2 ARG A 16 16.153 7.399 -3.353 1.00 62.46 N ATOM 156 HA ARG A 16 17.799 4.100 -8.063 1.00 0.00 H ATOM 157 HB2 ARG A 16 16.184 5.471 -6.139 1.00 0.00 H ATOM 158 HB3 ARG A 16 17.355 4.475 -5.243 1.00 0.00 H ATOM 159 HG2 ARG A 16 19.202 5.545 -6.400 1.00 0.00 H ATOM 160 HG3 ARG A 16 18.066 6.483 -7.398 1.00 0.00 H ATOM 161 HD2 ARG A 16 19.061 7.742 -5.449 1.00 0.00 H ATOM 162 HD3 ARG A 16 18.184 6.635 -4.366 1.00 0.00 H ATOM 163 HE ARG A 16 16.839 8.488 -6.331 1.00 0.00 H ATOM 164 HH12 ARG A 16 14.346 9.075 -3.909 1.00 0.00 H ATOM 165 HH11 ARG A 16 14.983 9.501 -5.539 1.00 0.00 H ATOM 166 HH22 ARG A 16 15.437 7.522 -2.609 1.00 0.00 H ATOM 167 HH21 ARG A 16 16.932 6.724 -3.218 1.00 0.00 H ATOM 168 H ARG A 16 15.003 4.516 -7.531 1.00 0.00 H ATOM 169 N ALA A 17 16.410 1.968 -5.957 1.00 24.50 N ATOM 170 CA ALA A 17 16.605 0.762 -5.170 1.00 23.17 C ATOM 171 C ALA A 17 16.853 -0.478 -6.031 1.00 25.39 C ATOM 172 O ALA A 17 17.274 -1.510 -5.509 1.00 26.77 O ATOM 173 CB ALA A 17 15.417 0.533 -4.278 1.00 20.25 C ATOM 174 HA ALA A 17 17.501 0.918 -4.569 1.00 0.00 H ATOM 175 HB1 ALA A 17 15.298 1.384 -3.608 1.00 0.00 H ATOM 176 HB2 ALA A 17 14.521 0.422 -4.889 1.00 0.00 H ATOM 177 HB3 ALA A 17 15.573 -0.373 -3.693 1.00 0.00 H ATOM 178 H ALA A 17 15.467 2.406 -5.975 1.00 0.00 H ATOM 179 N THR A 18 16.489 -0.409 -7.313 1.00 24.61 N ATOM 180 CA THR A 18 16.588 -1.551 -8.228 1.00 24.61 C ATOM 181 C THR A 18 17.395 -1.215 -9.488 1.00 27.35 C ATOM 182 O THR A 18 17.479 -2.028 -10.423 1.00 27.53 O ATOM 183 CB THR A 18 15.185 -2.041 -8.693 1.00 24.12 C ATOM 184 OG1 THR A 18 14.522 -0.980 -9.412 1.00 30.02 O ATOM 185 CG2 THR A 18 14.327 -2.456 -7.494 1.00 18.84 C ATOM 186 HA THR A 18 17.094 -2.332 -7.660 1.00 0.00 H ATOM 187 HB THR A 18 15.317 -2.907 -9.341 1.00 0.00 H ATOM 188 HG1 THR A 18 14.419 -0.195 -8.818 1.00 0.00 H ATOM 189 HG23 THR A 18 14.828 -3.257 -6.951 1.00 0.00 H ATOM 190 HG21 THR A 18 14.188 -1.599 -6.834 1.00 0.00 H ATOM 191 HG22 THR A 18 13.357 -2.805 -7.847 1.00 0.00 H ATOM 192 H THR A 18 16.120 0.492 -7.678 1.00 0.00 H ATOM 193 N ASN A 19 17.968 -0.018 -9.531 1.00 26.99 N ATOM 194 CA ASN A 19 18.847 0.347 -10.642 1.00 30.74 C ATOM 195 C ASN A 19 19.835 -0.761 -10.997 1.00 31.90 C ATOM 196 O ASN A 19 20.620 -1.208 -10.151 1.00 32.54 O ATOM 197 CB ASN A 19 19.589 1.662 -10.362 1.00 31.11 C ATOM 198 CG ASN A 19 20.156 2.303 -11.643 1.00 39.64 C ATOM 199 OD1 ASN A 19 20.826 1.649 -12.448 1.00 28.30 O ATOM 200 ND2 ASN A 19 19.879 3.581 -11.828 1.00 37.19 N ATOM 201 HA ASN A 19 18.201 0.492 -11.508 1.00 0.00 H ATOM 202 HB2 ASN A 19 18.896 2.363 -9.897 1.00 0.00 H ATOM 203 HB3 ASN A 19 20.413 1.460 -9.677 1.00 0.00 H ATOM 204 HD22 ASN A 19 19.311 4.097 -11.126 1.00 0.00 H ATOM 205 HD21 ASN A 19 20.229 4.071 -12.676 1.00 0.00 H ATOM 206 H ASN A 19 17.790 0.666 -8.768 1.00 0.00 H ATOM 207 N PRO A 20 19.768 -1.255 -12.243 1.00 33.03 N ATOM 208 CA PRO A 20 20.755 -2.247 -12.638 1.00 32.26 C ATOM 209 C PRO A 20 22.205 -1.722 -12.645 1.00 33.46 C ATOM 210 O PRO A 20 23.145 -2.514 -12.746 1.00 31.42 O ATOM 211 CB PRO A 20 20.294 -2.662 -14.039 1.00 33.14 C ATOM 212 CG PRO A 20 19.355 -1.573 -14.487 1.00 32.56 C ATOM 213 CD PRO A 20 18.700 -1.103 -13.246 1.00 30.04 C ATOM 214 HA PRO A 20 20.798 -3.072 -11.927 1.00 0.00 H ATOM 215 HD3 PRO A 20 18.388 -0.062 -13.335 1.00 0.00 H ATOM 216 HD2 PRO A 20 17.836 -1.720 -12.998 1.00 0.00 H ATOM 217 HG3 PRO A 20 18.617 -1.966 -15.186 1.00 0.00 H ATOM 218 HG2 PRO A 20 19.907 -0.761 -14.961 1.00 0.00 H ATOM 219 HB2 PRO A 20 21.145 -2.735 -14.716 1.00 0.00 H ATOM 220 HB3 PRO A 20 19.777 -3.621 -14.003 1.00 0.00 H ATOM 221 N LEU A 21 22.385 -0.429 -12.393 1.00 34.80 N ATOM 222 CA LEU A 21 23.726 0.136 -12.289 1.00 39.27 C ATOM 223 C LEU A 21 24.338 0.007 -10.891 1.00 40.32 C ATOM 224 O LEU A 21 25.538 0.209 -10.720 1.00 42.60 O ATOM 225 CB LEU A 21 23.754 1.590 -12.765 1.00 40.75 C ATOM 226 CG LEU A 21 23.796 1.822 -14.282 1.00 47.27 C ATOM 227 CD1 LEU A 21 23.844 3.309 -14.622 1.00 39.43 C ATOM 228 CD2 LEU A 21 24.967 1.083 -14.938 1.00 44.64 C ATOM 229 HA LEU A 21 24.352 -0.462 -12.951 1.00 0.00 H ATOM 230 HB2 LEU A 21 22.859 2.080 -12.381 1.00 0.00 H ATOM 231 HB3 LEU A 21 24.638 2.061 -12.335 1.00 0.00 H ATOM 232 HG LEU A 21 22.871 1.412 -14.688 1.00 0.00 H ATOM 233 HD21 LEU A 21 25.905 1.439 -14.511 1.00 0.00 H ATOM 234 HD22 LEU A 21 24.867 0.013 -14.757 1.00 0.00 H ATOM 235 HD23 LEU A 21 24.960 1.274 -16.011 1.00 0.00 H ATOM 236 HD11 LEU A 21 22.957 3.801 -14.223 1.00 0.00 H ATOM 237 HD12 LEU A 21 24.736 3.753 -14.181 1.00 0.00 H ATOM 238 HD13 LEU A 21 23.873 3.432 -15.705 1.00 0.00 H ATOM 239 H LEU A 21 21.558 0.189 -12.268 1.00 0.00 H ATOM 240 N ASN A 22 23.542 -0.424 -9.914 1.00 38.70 N ATOM 241 CA ASN A 22 24.024 -0.518 -8.543 1.00 38.34 C ATOM 242 C ASN A 22 25.153 -1.539 -8.396 1.00 40.80 C ATOM 243 O ASN A 22 25.048 -2.673 -8.876 1.00 39.20 O ATOM 244 CB ASN A 22 22.874 -0.849 -7.587 1.00 36.48 C ATOM 245 CG ASN A 22 21.909 0.316 -7.399 1.00 35.30 C ATOM 246 OD1 ASN A 22 22.220 1.463 -7.726 1.00 31.56 O ATOM 247 ND2 ASN A 22 20.748 0.028 -6.823 1.00 31.80 N ATOM 248 HA ASN A 22 24.433 0.457 -8.280 1.00 0.00 H ATOM 249 HB2 ASN A 22 22.321 -1.699 -7.988 1.00 0.00 H ATOM 250 HB3 ASN A 22 23.293 -1.115 -6.616 1.00 0.00 H ATOM 251 HD22 ASN A 22 20.526 -0.954 -6.563 1.00 0.00 H ATOM 252 HD21 ASN A 22 20.061 0.785 -6.632 1.00 0.00 H ATOM 253 H ASN A 22 22.563 -0.697 -10.133 1.00 0.00 H ATOM 254 N LYS A 23 26.259 -1.110 -7.790 1.00 46.71 N ATOM 255 CA LYS A 23 27.367 -2.020 -7.480 1.00 49.29 C ATOM 256 C LYS A 23 27.087 -2.842 -6.216 1.00 48.73 C ATOM 257 O LYS A 23 27.773 -3.825 -5.935 1.00 49.87 O ATOM 258 CB LYS A 23 28.670 -1.234 -7.302 1.00 51.55 C ATOM 259 CG LYS A 23 28.872 -0.118 -8.313 1.00 56.98 C ATOM 260 CD LYS A 23 29.965 -0.463 -9.318 1.00 70.79 C ATOM 261 CE LYS A 23 29.480 -1.514 -10.322 1.00 74.52 C ATOM 262 NZ LYS A 23 30.609 -2.198 -11.016 1.00 77.60 N ATOM 263 HA LYS A 23 27.468 -2.708 -8.320 1.00 0.00 H ATOM 264 HB2 LYS A 23 28.670 -0.795 -6.304 1.00 0.00 H ATOM 265 HB3 LYS A 23 29.504 -1.930 -7.391 1.00 0.00 H ATOM 266 HG2 LYS A 23 27.937 0.048 -8.849 1.00 0.00 H ATOM 267 HG3 LYS A 23 29.152 0.793 -7.784 1.00 0.00 H ATOM 268 HD2 LYS A 23 30.251 0.440 -9.858 1.00 0.00 H ATOM 269 HD3 LYS A 23 30.830 -0.854 -8.783 1.00 0.00 H ATOM 270 HE2 LYS A 23 28.855 -1.024 -11.068 1.00 0.00 H ATOM 271 HE3 LYS A 23 28.891 -2.261 -9.790 1.00 0.00 H ATOM 272 HZ1 LYS A 23 31.174 -1.494 -11.533 1.00 0.00 H ATOM 273 HZ2 LYS A 23 31.208 -2.676 -10.313 1.00 0.00 H ATOM 274 HZ3 LYS A 23 30.230 -2.899 -11.684 1.00 0.00 H ATOM 275 H LYS A 23 26.339 -0.106 -7.531 1.00 0.00 H ATOM 276 N GLU A 24 26.203 -2.323 -5.369 1.00 43.76 N ATOM 277 CA GLU A 24 25.826 -3.004 -4.141 1.00 41.80 C ATOM 278 C GLU A 24 24.405 -2.588 -3.755 1.00 38.84 C ATOM 279 O GLU A 24 23.833 -1.688 -4.379 1.00 36.22 O ATOM 280 CB GLU A 24 26.829 -2.697 -3.015 1.00 40.88 C ATOM 281 CG GLU A 24 26.919 -1.220 -2.648 1.00 53.09 C ATOM 282 CD GLU A 24 27.771 -0.956 -1.412 1.00 67.34 C ATOM 283 OE1 GLU A 24 27.240 -0.407 -0.417 1.00 67.68 O ATOM 284 OE2 GLU A 24 28.996 -1.202 -1.472 1.00 76.18 O ATOM 285 HA GLU A 24 25.846 -4.082 -4.301 1.00 0.00 H ATOM 286 HB2 GLU A 24 26.528 -3.253 -2.127 1.00 0.00 H ATOM 287 HB3 GLU A 24 27.816 -3.031 -3.335 1.00 0.00 H ATOM 288 HG2 GLU A 24 27.353 -0.680 -3.489 1.00 0.00 H ATOM 289 HG3 GLU A 24 25.912 -0.848 -2.460 1.00 0.00 H ATOM 290 H GLU A 24 25.769 -1.404 -5.591 1.00 0.00 H ATOM 291 N LEU A 25 23.827 -3.265 -2.760 1.00 30.72 N ATOM 292 CA LEU A 25 22.469 -2.966 -2.336 1.00 30.80 C ATOM 293 C LEU A 25 22.390 -1.570 -1.711 1.00 32.52 C ATOM 294 O LEU A 25 23.319 -1.130 -1.027 1.00 30.11 O ATOM 295 CB LEU A 25 21.937 -4.028 -1.368 1.00 29.66 C ATOM 296 CG LEU A 25 21.793 -5.464 -1.897 1.00 32.29 C ATOM 297 CD1 LEU A 25 21.632 -6.487 -0.733 1.00 27.49 C ATOM 298 CD2 LEU A 25 20.623 -5.563 -2.863 1.00 31.64 C ATOM 299 HA LEU A 25 21.835 -2.981 -3.222 1.00 0.00 H ATOM 300 HB2 LEU A 25 22.615 -4.061 -0.515 1.00 0.00 H ATOM 301 HB3 LEU A 25 20.951 -3.702 -1.035 1.00 0.00 H ATOM 302 HG LEU A 25 22.709 -5.714 -2.433 1.00 0.00 H ATOM 303 HD21 LEU A 25 19.704 -5.281 -2.349 1.00 0.00 H ATOM 304 HD22 LEU A 25 20.790 -4.891 -3.705 1.00 0.00 H ATOM 305 HD23 LEU A 25 20.539 -6.587 -3.226 1.00 0.00 H ATOM 306 HD11 LEU A 25 22.509 -6.442 -0.088 1.00 0.00 H ATOM 307 HD12 LEU A 25 20.741 -6.240 -0.155 1.00 0.00 H ATOM 308 HD13 LEU A 25 21.533 -7.491 -1.145 1.00 0.00 H ATOM 309 H LEU A 25 24.358 -4.020 -2.280 1.00 0.00 H ATOM 310 N ASP A 26 21.320 -0.845 -2.027 1.00 29.90 N ATOM 311 CA ASP A 26 21.199 0.564 -1.653 1.00 29.11 C ATOM 312 C ASP A 26 20.122 0.710 -0.562 1.00 30.91 C ATOM 313 O ASP A 26 18.925 0.767 -0.862 1.00 31.92 O ATOM 314 CB ASP A 26 20.844 1.380 -2.900 1.00 31.53 C ATOM 315 CG ASP A 26 20.428 2.807 -2.584 1.00 36.08 C ATOM 316 OD1 ASP A 26 20.784 3.319 -1.506 1.00 35.99 O ATOM 317 OD2 ASP A 26 19.905 3.473 -3.501 1.00 40.84 O ATOM 318 HA ASP A 26 22.141 0.937 -1.252 1.00 0.00 H ATOM 319 HB2 ASP A 26 21.715 1.410 -3.554 1.00 0.00 H ATOM 320 HB3 ASP A 26 20.021 0.885 -3.415 1.00 0.00 H ATOM 321 H ASP A 26 20.546 -1.294 -2.556 1.00 0.00 H ATOM 322 N TRP A 27 20.525 0.528 0.695 1.00 31.11 N ATOM 323 CA TRP A 27 19.560 0.381 1.782 1.00 32.04 C ATOM 324 C TRP A 27 18.769 1.659 2.081 1.00 32.44 C ATOM 325 O TRP A 27 17.615 1.588 2.492 1.00 33.44 O ATOM 326 CB TRP A 27 20.239 -0.130 3.052 1.00 32.53 C ATOM 327 CG TRP A 27 20.712 -1.536 2.907 1.00 33.48 C ATOM 328 CD1 TRP A 27 22.009 -1.961 2.782 1.00 28.64 C ATOM 329 CD2 TRP A 27 19.891 -2.699 2.794 1.00 28.95 C ATOM 330 NE1 TRP A 27 22.039 -3.317 2.581 1.00 35.83 N ATOM 331 CE2 TRP A 27 20.755 -3.798 2.583 1.00 27.42 C ATOM 332 CE3 TRP A 27 18.519 -2.938 2.964 1.00 26.92 C ATOM 333 CZ2 TRP A 27 20.290 -5.110 2.519 1.00 26.49 C ATOM 334 CZ3 TRP A 27 18.052 -4.229 2.817 1.00 28.56 C ATOM 335 CH2 TRP A 27 18.937 -5.308 2.641 1.00 23.21 C ATOM 336 HA TRP A 27 18.836 -0.357 1.435 1.00 0.00 H ATOM 337 HB2 TRP A 27 21.094 0.508 3.275 1.00 0.00 H ATOM 338 HB3 TRP A 27 19.527 -0.081 3.876 1.00 0.00 H ATOM 339 HE1 TRP A 27 22.898 -3.889 2.448 1.00 0.00 H ATOM 340 HD1 TRP A 27 22.887 -1.317 2.835 1.00 0.00 H ATOM 341 HZ2 TRP A 27 20.974 -5.947 2.378 1.00 0.00 H ATOM 342 HH2 TRP A 27 18.540 -6.322 2.601 1.00 0.00 H ATOM 343 HZ3 TRP A 27 16.978 -4.415 2.838 1.00 0.00 H ATOM 344 HE3 TRP A 27 17.837 -2.123 3.207 1.00 0.00 H ATOM 345 H TRP A 27 21.543 0.490 0.906 1.00 0.00 H ATOM 346 N ALA A 28 19.408 2.816 1.942 1.00 28.57 N ATOM 347 CA ALA A 28 18.688 4.090 1.922 1.00 31.75 C ATOM 348 C ALA A 28 17.432 4.008 1.039 1.00 30.59 C ATOM 349 O ALA A 28 16.313 4.231 1.504 1.00 31.75 O ATOM 350 CB ALA A 28 19.605 5.218 1.453 1.00 29.74 C ATOM 351 HA ALA A 28 18.365 4.307 2.940 1.00 0.00 H ATOM 352 HB1 ALA A 28 20.453 5.301 2.133 1.00 0.00 H ATOM 353 HB2 ALA A 28 19.964 4.998 0.447 1.00 0.00 H ATOM 354 HB3 ALA A 28 19.050 6.156 1.445 1.00 0.00 H ATOM 355 H ALA A 28 20.443 2.816 1.845 1.00 0.00 H ATOM 356 N SER A 29 17.614 3.568 -0.203 1.00 38.14 N ATOM 357 CA SER A 29 16.523 3.517 -1.170 1.00 36.79 C ATOM 358 C SER A 29 15.523 2.390 -0.903 1.00 35.83 C ATOM 359 O SER A 29 14.295 2.590 -0.976 1.00 35.52 O ATOM 360 CB SER A 29 17.086 3.409 -2.577 1.00 36.48 C ATOM 361 OG SER A 29 17.668 4.647 -2.966 1.00 46.21 O ATOM 362 HA SER A 29 15.964 4.446 -1.063 1.00 0.00 H ATOM 363 HB2 SER A 29 16.283 3.155 -3.269 1.00 0.00 H ATOM 364 HB3 SER A 29 17.847 2.629 -2.603 1.00 0.00 H ATOM 365 HG SER A 29 18.031 4.566 -3.883 1.00 0.00 H ATOM 366 H SER A 29 18.561 3.251 -0.493 1.00 0.00 H ATOM 367 N ILE A 30 16.055 1.221 -0.563 1.00 29.33 N ATOM 368 CA ILE A 30 15.251 0.051 -0.239 1.00 25.96 C ATOM 369 C ILE A 30 14.395 0.315 1.004 1.00 28.26 C ATOM 370 O ILE A 30 13.186 0.104 0.998 1.00 26.90 O ATOM 371 CB ILE A 30 16.159 -1.172 0.051 1.00 25.22 C ATOM 372 CG1 ILE A 30 17.020 -1.526 -1.166 1.00 22.83 C ATOM 373 CG2 ILE A 30 15.332 -2.370 0.515 1.00 23.32 C ATOM 374 CD1 ILE A 30 18.014 -2.639 -0.901 1.00 18.78 C ATOM 375 HA ILE A 30 14.611 -0.156 -1.097 1.00 0.00 H ATOM 376 HB ILE A 30 16.835 -0.901 0.862 1.00 0.00 H ATOM 377 HG12 ILE A 30 16.361 -1.838 -1.976 1.00 0.00 H ATOM 378 HG13 ILE A 30 17.571 -0.636 -1.470 1.00 0.00 H ATOM 379 HD11 ILE A 30 18.689 -2.338 -0.100 1.00 0.00 H ATOM 380 HD12 ILE A 30 17.478 -3.541 -0.607 1.00 0.00 H ATOM 381 HD13 ILE A 30 18.588 -2.835 -1.807 1.00 0.00 H ATOM 382 HG21 ILE A 30 14.795 -2.108 1.427 1.00 0.00 H ATOM 383 HG22 ILE A 30 14.618 -2.640 -0.263 1.00 0.00 H ATOM 384 HG23 ILE A 30 15.994 -3.213 0.711 1.00 0.00 H ATOM 385 H ILE A 30 17.091 1.138 -0.527 1.00 0.00 H ATOM 386 N ASN A 31 15.033 0.715 2.096 1.00 30.66 N ATOM 387 CA ASN A 31 14.291 0.982 3.324 1.00 32.90 C ATOM 388 C ASN A 31 13.427 2.255 3.259 1.00 32.09 C ATOM 389 O ASN A 31 12.325 2.294 3.812 1.00 29.42 O ATOM 390 CB ASN A 31 15.228 0.992 4.531 1.00 30.00 C ATOM 391 CG ASN A 31 15.504 -0.416 5.067 1.00 38.85 C ATOM 392 OD1 ASN A 31 14.607 -1.264 5.109 1.00 34.45 O ATOM 393 ND2 ASN A 31 16.728 -0.642 5.544 1.00 33.75 N ATOM 394 HA ASN A 31 13.584 0.161 3.442 1.00 0.00 H ATOM 395 HB2 ASN A 31 16.174 1.447 4.237 1.00 0.00 H ATOM 396 HB3 ASN A 31 14.772 1.586 5.324 1.00 0.00 H ATOM 397 HD22 ASN A 31 17.453 0.101 5.488 1.00 0.00 H ATOM 398 HD21 ASN A 31 16.958 -1.561 5.972 1.00 0.00 H ATOM 399 H ASN A 31 16.065 0.839 2.077 1.00 0.00 H ATOM 400 N GLY A 32 13.871 3.233 2.472 1.00 29.12 N ATOM 401 CA GLY A 32 13.056 4.405 2.194 1.00 29.55 C ATOM 402 C GLY A 32 11.782 4.090 1.429 1.00 30.52 C ATOM 403 O GLY A 32 10.747 4.712 1.668 1.00 32.99 O ATOM 404 HA3 GLY A 32 13.648 5.105 1.605 1.00 0.00 H ATOM 405 HA2 GLY A 32 12.784 4.869 3.142 1.00 0.00 H ATOM 406 H GLY A 32 14.818 3.157 2.048 1.00 0.00 H ATOM 407 N PHE A 33 11.865 3.170 0.469 1.00 27.28 N ATOM 408 CA PHE A 33 10.675 2.666 -0.224 1.00 27.49 C ATOM 409 C PHE A 33 9.635 2.122 0.765 1.00 27.85 C ATOM 410 O PHE A 33 8.448 2.431 0.665 1.00 32.05 O ATOM 411 CB PHE A 33 11.068 1.591 -1.267 1.00 22.23 C ATOM 412 CG PHE A 33 9.890 0.980 -2.003 1.00 25.01 C ATOM 413 CD1 PHE A 33 9.325 -0.217 -1.573 1.00 24.96 C ATOM 414 CD2 PHE A 33 9.460 1.509 -3.218 1.00 25.82 C ATOM 415 CE1 PHE A 33 8.277 -0.821 -2.292 1.00 20.94 C ATOM 416 CE2 PHE A 33 8.447 0.883 -3.962 1.00 24.09 C ATOM 417 CZ PHE A 33 7.885 -0.305 -3.511 1.00 20.29 C ATOM 418 HA PHE A 33 10.215 3.502 -0.750 1.00 0.00 H ATOM 419 HB2 PHE A 33 11.729 2.052 -2.001 1.00 0.00 H ATOM 420 HB3 PHE A 33 11.601 0.792 -0.751 1.00 0.00 H ATOM 421 HD2 PHE A 33 9.917 2.423 -3.597 1.00 0.00 H ATOM 422 HE2 PHE A 33 8.101 1.329 -4.894 1.00 0.00 H ATOM 423 HZ PHE A 33 7.141 -0.825 -4.114 1.00 0.00 H ATOM 424 HE1 PHE A 33 7.774 -1.698 -1.886 1.00 0.00 H ATOM 425 HD1 PHE A 33 9.699 -0.693 -0.667 1.00 0.00 H ATOM 426 H PHE A 33 12.800 2.799 0.204 1.00 0.00 H ATOM 427 N CYS A 34 10.060 1.237 1.657 1.00 27.60 N ATOM 428 CA CYS A 34 9.162 0.653 2.657 1.00 27.43 C ATOM 429 C CYS A 34 8.553 1.735 3.565 1.00 29.98 C ATOM 430 O CYS A 34 7.388 1.658 3.949 1.00 27.66 O ATOM 431 CB CYS A 34 9.915 -0.343 3.549 1.00 23.89 C ATOM 432 SG CYS A 34 10.799 -1.698 2.754 1.00 27.79 S ATOM 433 HA CYS A 34 8.369 0.145 2.109 1.00 0.00 H ATOM 434 HB2 CYS A 34 9.185 -0.786 4.227 1.00 0.00 H ATOM 435 HB3 CYS A 34 10.645 0.226 4.125 1.00 0.00 H ATOM 436 H CYS A 34 11.059 0.949 1.646 1.00 0.00 H ATOM 437 N GLU A 35 9.407 2.612 4.077 1.00 28.50 N ATOM 438 CA GLU A 35 8.959 3.751 4.868 1.00 33.40 C ATOM 439 C GLU A 35 7.870 4.560 4.150 1.00 35.56 C ATOM 440 O GLU A 35 6.919 5.061 4.776 1.00 38.54 O ATOM 441 CB GLU A 35 10.157 4.643 5.188 1.00 34.50 C ATOM 442 CG GLU A 35 9.870 5.794 6.130 1.00 52.32 C ATOM 443 CD GLU A 35 9.974 7.161 5.453 1.00 71.31 C ATOM 444 OE1 GLU A 35 9.502 8.156 6.057 1.00 71.92 O ATOM 445 OE2 GLU A 35 10.512 7.238 4.318 1.00 76.21 O ATOM 446 HA GLU A 35 8.519 3.372 5.790 1.00 0.00 H ATOM 447 HB2 GLU A 35 10.930 4.021 5.640 1.00 0.00 H ATOM 448 HB3 GLU A 35 10.529 5.058 4.251 1.00 0.00 H ATOM 449 HG2 GLU A 35 8.860 5.677 6.524 1.00 0.00 H ATOM 450 HG3 GLU A 35 10.586 5.758 6.951 1.00 0.00 H ATOM 451 H GLU A 35 10.425 2.483 3.909 1.00 0.00 H ATOM 452 N GLN A 36 8.017 4.698 2.837 1.00 33.81 N ATOM 453 CA GLN A 36 7.186 5.613 2.068 1.00 36.09 C ATOM 454 C GLN A 36 5.823 5.004 1.746 1.00 34.50 C ATOM 455 O GLN A 36 4.811 5.691 1.823 1.00 34.78 O ATOM 456 CB GLN A 36 7.905 6.056 0.787 1.00 37.49 C ATOM 457 CG GLN A 36 7.196 7.152 0.008 1.00 39.10 C ATOM 458 CD GLN A 36 6.819 8.336 0.879 1.00 45.00 C ATOM 459 OE1 GLN A 36 5.653 8.719 0.949 1.00 51.76 O ATOM 460 NE2 GLN A 36 7.817 8.972 1.480 1.00 43.23 N ATOM 461 HA GLN A 36 7.011 6.494 2.685 1.00 0.00 H ATOM 462 HB2 GLN A 36 8.895 6.420 1.061 1.00 0.00 H ATOM 463 HB3 GLN A 36 8.006 5.187 0.136 1.00 0.00 H ATOM 464 HG2 GLN A 36 7.856 7.499 -0.787 1.00 0.00 H ATOM 465 HG3 GLN A 36 6.288 6.738 -0.431 1.00 0.00 H ATOM 466 HE22 GLN A 36 8.789 8.613 1.394 1.00 0.00 H ATOM 467 HE21 GLN A 36 7.627 9.830 2.037 1.00 0.00 H ATOM 468 H GLN A 36 8.744 4.139 2.346 1.00 0.00 H ATOM 469 N LEU A 37 5.783 3.690 1.538 1.00 33.40 N ATOM 470 CA LEU A 37 4.524 3.006 1.205 1.00 33.41 C ATOM 471 C LEU A 37 3.658 2.868 2.459 1.00 35.74 C ATOM 472 O LEU A 37 2.426 2.892 2.400 1.00 33.42 O ATOM 473 CB LEU A 37 4.804 1.625 0.594 1.00 28.98 C ATOM 474 CG LEU A 37 5.375 0.523 1.499 1.00 29.39 C ATOM 475 CD1 LEU A 37 4.264 -0.165 2.290 1.00 30.39 C ATOM 476 CD2 LEU A 37 6.182 -0.497 0.689 1.00 25.42 C ATOM 477 HA LEU A 37 3.987 3.603 0.468 1.00 0.00 H ATOM 478 HB2 LEU A 37 3.861 1.254 0.191 1.00 0.00 H ATOM 479 HB3 LEU A 37 5.513 1.772 -0.221 1.00 0.00 H ATOM 480 HG LEU A 37 6.053 0.995 2.210 1.00 0.00 H ATOM 481 HD21 LEU A 37 5.536 -0.959 -0.057 1.00 0.00 H ATOM 482 HD22 LEU A 37 7.010 0.009 0.192 1.00 0.00 H ATOM 483 HD23 LEU A 37 6.572 -1.264 1.358 1.00 0.00 H ATOM 484 HD11 LEU A 37 3.754 0.570 2.912 1.00 0.00 H ATOM 485 HD12 LEU A 37 3.552 -0.614 1.598 1.00 0.00 H ATOM 486 HD13 LEU A 37 4.697 -0.941 2.922 1.00 0.00 H ATOM 487 H LEU A 37 6.660 3.136 1.612 1.00 0.00 H ATOM 488 N ASN A 38 4.334 2.796 3.598 1.00 36.81 N ATOM 489 CA ASN A 38 3.692 2.746 4.898 1.00 40.28 C ATOM 490 C ASN A 38 3.096 4.101 5.295 1.00 45.31 C ATOM 491 O ASN A 38 2.078 4.167 5.978 1.00 46.69 O ATOM 492 CB ASN A 38 4.712 2.260 5.945 1.00 37.04 C ATOM 493 CG ASN A 38 4.237 2.467 7.373 1.00 38.35 C ATOM 494 OD1 ASN A 38 3.425 1.695 7.890 1.00 34.06 O ATOM 495 ND2 ASN A 38 4.694 3.546 7.992 1.00 33.52 N ATOM 496 HA ASN A 38 2.859 2.044 4.848 1.00 0.00 H ATOM 497 HB2 ASN A 38 4.892 1.196 5.789 1.00 0.00 H ATOM 498 HB3 ASN A 38 5.643 2.809 5.805 1.00 0.00 H ATOM 499 HD22 ASN A 38 5.378 4.168 7.516 1.00 0.00 H ATOM 500 HD21 ASN A 38 4.368 3.771 8.954 1.00 0.00 H ATOM 501 H ASN A 38 5.373 2.774 3.557 1.00 0.00 H ATOM 502 N GLU A 39 3.712 5.175 4.812 1.00 49.16 N ATOM 503 CA GLU A 39 3.252 6.537 5.085 1.00 53.62 C ATOM 504 C GLU A 39 2.037 6.923 4.240 1.00 55.91 C ATOM 505 O GLU A 39 1.114 7.578 4.721 1.00 57.59 O ATOM 506 CB GLU A 39 4.392 7.526 4.848 1.00 50.99 C ATOM 507 CG GLU A 39 3.943 8.967 4.746 1.00 61.58 C ATOM 508 CD GLU A 39 5.099 9.940 4.840 1.00 66.86 C ATOM 509 OE1 GLU A 39 5.153 10.889 4.028 1.00 75.80 O ATOM 510 OE2 GLU A 39 5.970 9.742 5.710 1.00 69.71 O ATOM 511 HA GLU A 39 2.941 6.573 6.129 1.00 0.00 H ATOM 512 HB2 GLU A 39 5.096 7.443 5.676 1.00 0.00 H ATOM 513 HB3 GLU A 39 4.893 7.256 3.919 1.00 0.00 H ATOM 514 HG2 GLU A 39 3.441 9.111 3.789 1.00 0.00 H ATOM 515 HG3 GLU A 39 3.244 9.174 5.556 1.00 0.00 H ATOM 516 H GLU A 39 4.554 5.042 4.216 1.00 0.00 H ATOM 517 N ASP A 40 2.024 6.478 2.989 1.00 55.98 N ATOM 518 CA ASP A 40 1.018 6.914 2.032 1.00 59.93 C ATOM 519 C ASP A 40 -0.249 6.058 2.080 1.00 61.37 C ATOM 520 O ASP A 40 -0.182 4.840 2.261 1.00 59.10 O ATOM 521 CB ASP A 40 1.614 6.949 0.625 1.00 58.21 C ATOM 522 CG ASP A 40 2.646 8.057 0.456 1.00 60.92 C ATOM 523 OD1 ASP A 40 3.479 7.966 -0.473 1.00 58.18 O ATOM 524 OD2 ASP A 40 2.592 9.046 1.221 1.00 62.52 O ATOM 525 HA ASP A 40 0.713 7.922 2.311 1.00 0.00 H ATOM 526 HB2 ASP A 40 2.093 5.991 0.424 1.00 0.00 H ATOM 527 HB3 ASP A 40 0.809 7.108 -0.092 1.00 0.00 H ATOM 528 H ASP A 40 2.752 5.800 2.685 1.00 0.00 H ATOM 529 N PHE A 41 -1.394 6.734 2.083 1.00 74.32 N ATOM 530 CA PHE A 41 -2.709 6.100 1.991 1.00 77.09 C ATOM 531 C PHE A 41 -2.789 4.972 0.960 1.00 72.01 C ATOM 532 O PHE A 41 -3.266 3.873 1.259 1.00 71.20 O ATOM 533 CB PHE A 41 -3.763 7.165 1.663 1.00 83.52 C ATOM 534 CG PHE A 41 -4.891 7.224 2.651 1.00 90.56 C ATOM 535 CD1 PHE A 41 -5.597 8.405 2.845 1.00 99.85 C ATOM 536 CD2 PHE A 41 -5.234 6.104 3.400 1.00 92.56 C ATOM 537 CE1 PHE A 41 -6.619 8.477 3.781 1.00102.22 C ATOM 538 CE2 PHE A 41 -6.246 6.169 4.344 1.00 97.54 C ATOM 539 CZ PHE A 41 -6.934 7.361 4.543 1.00 99.37 C ATOM 540 HA PHE A 41 -2.897 5.640 2.961 1.00 0.00 H ATOM 541 HB2 PHE A 41 -3.273 8.139 1.641 1.00 0.00 H ATOM 542 HB3 PHE A 41 -4.178 6.947 0.679 1.00 0.00 H ATOM 543 HD2 PHE A 41 -4.702 5.166 3.243 1.00 0.00 H ATOM 544 HE2 PHE A 41 -6.503 5.287 4.930 1.00 0.00 H ATOM 545 HZ PHE A 41 -7.720 7.419 5.296 1.00 0.00 H ATOM 546 HE1 PHE A 41 -7.172 9.406 3.917 1.00 0.00 H ATOM 547 HD1 PHE A 41 -5.345 9.286 2.255 1.00 0.00 H ATOM 548 H PHE A 41 -1.352 7.771 2.155 1.00 0.00 H ATOM 549 N GLU A 42 -2.521 5.315 -0.294 1.00 72.54 N ATOM 550 CA GLU A 42 -2.516 4.322 -1.361 1.00 69.60 C ATOM 551 C GLU A 42 -1.097 3.905 -1.695 1.00 63.59 C ATOM 552 O GLU A 42 -0.810 3.505 -2.822 1.00 62.75 O ATOM 553 CB GLU A 42 -3.224 4.855 -2.606 1.00 72.97 C ATOM 554 CG GLU A 42 -4.642 4.321 -2.786 1.00 78.13 C ATOM 555 CD GLU A 42 -5.645 5.427 -3.066 1.00 89.85 C ATOM 556 OE1 GLU A 42 -5.783 6.341 -2.221 1.00 91.87 O ATOM 557 OE2 GLU A 42 -6.296 5.381 -4.133 1.00 94.73 O ATOM 558 HA GLU A 42 -3.061 3.446 -1.009 1.00 0.00 H ATOM 559 HB2 GLU A 42 -3.272 5.942 -2.535 1.00 0.00 H ATOM 560 HB3 GLU A 42 -2.638 4.575 -3.481 1.00 0.00 H ATOM 561 HG2 GLU A 42 -4.650 3.621 -3.622 1.00 0.00 H ATOM 562 HG3 GLU A 42 -4.939 3.801 -1.875 1.00 0.00 H ATOM 563 H GLU A 42 -2.311 6.308 -0.519 1.00 0.00 H ATOM 564 N GLY A 43 -0.210 4.052 -0.712 1.00 48.77 N ATOM 565 CA GLY A 43 1.135 3.492 -0.763 1.00 43.48 C ATOM 566 C GLY A 43 1.208 2.033 -1.184 1.00 38.64 C ATOM 567 O GLY A 43 1.951 1.695 -2.105 1.00 35.47 O ATOM 568 HA3 GLY A 43 1.576 3.580 0.230 1.00 0.00 H ATOM 569 HA2 GLY A 43 1.719 4.078 -1.472 1.00 0.00 H ATOM 570 H GLY A 43 -0.490 4.592 0.132 1.00 0.00 H ATOM 571 N PRO A 44 0.562 1.140 -0.412 1.00 37.99 N ATOM 572 CA PRO A 44 0.766 -0.308 -0.576 1.00 34.41 C ATOM 573 C PRO A 44 0.343 -0.867 -1.939 1.00 33.48 C ATOM 574 O PRO A 44 0.988 -1.781 -2.444 1.00 31.62 O ATOM 575 CB PRO A 44 -0.078 -0.916 0.555 1.00 34.46 C ATOM 576 CG PRO A 44 -0.105 0.172 1.624 1.00 34.57 C ATOM 577 CD PRO A 44 -0.176 1.461 0.828 1.00 39.21 C ATOM 578 HA PRO A 44 1.827 -0.554 -0.530 1.00 0.00 H ATOM 579 HD3 PRO A 44 -1.210 1.728 0.609 1.00 0.00 H ATOM 580 HD2 PRO A 44 0.303 2.279 1.366 1.00 0.00 H ATOM 581 HG3 PRO A 44 0.798 0.141 2.233 1.00 0.00 H ATOM 582 HG2 PRO A 44 -0.979 0.064 2.267 1.00 0.00 H ATOM 583 HB2 PRO A 44 -1.086 -1.143 0.207 1.00 0.00 H ATOM 584 HB3 PRO A 44 0.386 -1.825 0.939 1.00 0.00 H ATOM 585 N PRO A 45 -0.803 -0.414 -2.472 1.00 41.05 N ATOM 586 CA PRO A 45 -1.237 -0.905 -3.776 1.00 40.65 C ATOM 587 C PRO A 45 -0.339 -0.423 -4.914 1.00 39.17 C ATOM 588 O PRO A 45 -0.136 -1.148 -5.882 1.00 38.43 O ATOM 589 CB PRO A 45 -2.648 -0.318 -3.928 1.00 44.73 C ATOM 590 CG PRO A 45 -3.089 0.013 -2.542 1.00 45.32 C ATOM 591 CD PRO A 45 -1.842 0.397 -1.810 1.00 44.85 C ATOM 592 HA PRO A 45 -1.202 -1.993 -3.828 1.00 0.00 H ATOM 593 HD3 PRO A 45 -1.636 1.462 -1.919 1.00 0.00 H ATOM 594 HD2 PRO A 45 -1.917 0.149 -0.751 1.00 0.00 H ATOM 595 HG3 PRO A 45 -3.556 -0.853 -2.073 1.00 0.00 H ATOM 596 HG2 PRO A 45 -3.796 0.843 -2.554 1.00 0.00 H ATOM 597 HB2 PRO A 45 -2.624 0.580 -4.546 1.00 0.00 H ATOM 598 HB3 PRO A 45 -3.319 -1.049 -4.378 1.00 0.00 H ATOM 599 N LEU A 46 0.140 0.813 -4.830 1.00 36.00 N ATOM 600 CA LEU A 46 1.105 1.314 -5.809 1.00 35.79 C ATOM 601 C LEU A 46 2.422 0.535 -5.749 1.00 33.62 C ATOM 602 O LEU A 46 2.966 0.147 -6.782 1.00 31.47 O ATOM 603 CB LEU A 46 1.369 2.806 -5.594 1.00 38.25 C ATOM 604 CG LEU A 46 2.463 3.455 -6.456 1.00 43.65 C ATOM 605 CD1 LEU A 46 2.161 3.301 -7.959 1.00 39.69 C ATOM 606 CD2 LEU A 46 2.633 4.939 -6.092 1.00 40.80 C ATOM 607 HA LEU A 46 0.670 1.170 -6.798 1.00 0.00 H ATOM 608 HB2 LEU A 46 0.437 3.336 -5.791 1.00 0.00 H ATOM 609 HB3 LEU A 46 1.649 2.943 -4.550 1.00 0.00 H ATOM 610 HG LEU A 46 3.398 2.935 -6.248 1.00 0.00 H ATOM 611 HD21 LEU A 46 1.693 5.463 -6.262 1.00 0.00 H ATOM 612 HD22 LEU A 46 2.914 5.024 -5.042 1.00 0.00 H ATOM 613 HD23 LEU A 46 3.413 5.378 -6.715 1.00 0.00 H ATOM 614 HD11 LEU A 46 2.105 2.242 -8.210 1.00 0.00 H ATOM 615 HD12 LEU A 46 1.210 3.781 -8.188 1.00 0.00 H ATOM 616 HD13 LEU A 46 2.956 3.772 -8.538 1.00 0.00 H ATOM 617 H LEU A 46 -0.175 1.434 -4.057 1.00 0.00 H ATOM 618 N ALA A 47 2.916 0.310 -4.529 1.00 28.74 N ATOM 619 CA ALA A 47 4.188 -0.376 -4.289 1.00 28.51 C ATOM 620 C ALA A 47 4.196 -1.756 -4.926 1.00 26.62 C ATOM 621 O ALA A 47 5.163 -2.194 -5.549 1.00 27.66 O ATOM 622 CB ALA A 47 4.425 -0.491 -2.786 1.00 28.31 C ATOM 623 HA ALA A 47 4.989 0.207 -4.744 1.00 0.00 H ATOM 624 HB1 ALA A 47 4.460 0.506 -2.348 1.00 0.00 H ATOM 625 HB2 ALA A 47 3.613 -1.060 -2.334 1.00 0.00 H ATOM 626 HB3 ALA A 47 5.371 -1.001 -2.607 1.00 0.00 H ATOM 627 H ALA A 47 2.370 0.639 -3.707 1.00 0.00 H ATOM 628 N THR A 48 3.094 -2.446 -4.729 1.00 31.28 N ATOM 629 CA THR A 48 2.890 -3.780 -5.227 1.00 30.51 C ATOM 630 C THR A 48 2.848 -3.800 -6.779 1.00 30.03 C ATOM 631 O THR A 48 3.488 -4.647 -7.429 1.00 29.89 O ATOM 632 CB THR A 48 1.603 -4.330 -4.533 1.00 31.29 C ATOM 633 OG1 THR A 48 1.870 -5.559 -3.855 1.00 38.91 O ATOM 634 CG2 THR A 48 0.419 -4.431 -5.452 1.00 32.58 C ATOM 635 HA THR A 48 3.722 -4.440 -4.982 1.00 0.00 H ATOM 636 HB THR A 48 1.317 -3.590 -3.785 1.00 0.00 H ATOM 637 HG1 THR A 48 1.040 -5.885 -3.425 1.00 0.00 H ATOM 638 HG23 THR A 48 0.259 -3.471 -5.943 1.00 0.00 H ATOM 639 HG21 THR A 48 0.608 -5.197 -6.204 1.00 0.00 H ATOM 640 HG22 THR A 48 -0.466 -4.698 -4.874 1.00 0.00 H ATOM 641 H THR A 48 2.328 -2.003 -4.183 1.00 0.00 H ATOM 642 N ARG A 49 2.214 -2.797 -7.381 1.00 28.34 N ATOM 643 CA ARG A 49 2.236 -2.653 -8.847 1.00 29.64 C ATOM 644 C ARG A 49 3.671 -2.398 -9.361 1.00 29.60 C ATOM 645 O ARG A 49 4.109 -3.034 -10.304 1.00 28.17 O ATOM 646 CB ARG A 49 1.301 -1.513 -9.285 1.00 30.86 C ATOM 647 CG ARG A 49 0.497 -1.763 -10.560 1.00 40.47 C ATOM 648 CD ARG A 49 -0.862 -1.038 -10.530 1.00 63.50 C ATOM 649 NE ARG A 49 -0.758 0.365 -10.105 1.00 73.58 N ATOM 650 CZ ARG A 49 -1.313 0.871 -9.000 1.00 77.76 C ATOM 651 NH1 ARG A 49 -1.161 2.158 -8.705 1.00 75.41 N ATOM 652 NH2 ARG A 49 -2.036 0.103 -8.192 1.00 75.26 N ATOM 653 HA ARG A 49 1.883 -3.587 -9.284 1.00 0.00 H ATOM 654 HB2 ARG A 49 0.595 -1.330 -8.475 1.00 0.00 H ATOM 655 HB3 ARG A 49 1.910 -0.623 -9.443 1.00 0.00 H ATOM 656 HG2 ARG A 49 1.070 -1.404 -11.415 1.00 0.00 H ATOM 657 HG3 ARG A 49 0.324 -2.834 -10.664 1.00 0.00 H ATOM 658 HD2 ARG A 49 -1.520 -1.563 -9.837 1.00 0.00 H ATOM 659 HD3 ARG A 49 -1.293 -1.067 -11.531 1.00 0.00 H ATOM 660 HE ARG A 49 -0.212 1.012 -10.709 1.00 0.00 H ATOM 661 HH12 ARG A 49 -1.594 2.549 -7.844 1.00 0.00 H ATOM 662 HH11 ARG A 49 -0.609 2.774 -9.335 1.00 0.00 H ATOM 663 HH22 ARG A 49 -2.463 0.508 -7.335 1.00 0.00 H ATOM 664 HH21 ARG A 49 -2.175 -0.903 -8.417 1.00 0.00 H ATOM 665 H ARG A 49 1.694 -2.103 -6.807 1.00 0.00 H ATOM 666 N LEU A 50 4.416 -1.507 -8.705 1.00 28.34 N ATOM 667 CA LEU A 50 5.760 -1.156 -9.163 1.00 27.63 C ATOM 668 C LEU A 50 6.711 -2.332 -8.985 1.00 26.37 C ATOM 669 O LEU A 50 7.568 -2.586 -9.829 1.00 24.04 O ATOM 670 CB LEU A 50 6.309 0.082 -8.428 1.00 25.40 C ATOM 671 CG LEU A 50 5.535 1.412 -8.465 1.00 29.95 C ATOM 672 CD1 LEU A 50 6.083 2.386 -7.449 1.00 23.41 C ATOM 673 CD2 LEU A 50 5.519 2.068 -9.843 1.00 30.33 C ATOM 674 HA LEU A 50 5.688 -0.912 -10.223 1.00 0.00 H ATOM 675 HB2 LEU A 50 6.408 -0.194 -7.378 1.00 0.00 H ATOM 676 HB3 LEU A 50 7.296 0.282 -8.844 1.00 0.00 H ATOM 677 HG LEU A 50 4.504 1.158 -8.217 1.00 0.00 H ATOM 678 HD21 LEU A 50 6.542 2.276 -10.157 1.00 0.00 H ATOM 679 HD22 LEU A 50 5.047 1.395 -10.559 1.00 0.00 H ATOM 680 HD23 LEU A 50 4.956 3.000 -9.794 1.00 0.00 H ATOM 681 HD11 LEU A 50 5.994 1.957 -6.451 1.00 0.00 H ATOM 682 HD12 LEU A 50 7.132 2.585 -7.668 1.00 0.00 H ATOM 683 HD13 LEU A 50 5.517 3.316 -7.498 1.00 0.00 H ATOM 684 H LEU A 50 4.034 -1.053 -7.851 1.00 0.00 H ATOM 685 N LEU A 51 6.545 -3.054 -7.884 1.00 29.29 N ATOM 686 CA LEU A 51 7.375 -4.223 -7.587 1.00 27.48 C ATOM 687 C LEU A 51 7.208 -5.362 -8.610 1.00 26.29 C ATOM 688 O LEU A 51 8.191 -5.935 -9.074 1.00 24.08 O ATOM 689 CB LEU A 51 7.112 -4.719 -6.153 1.00 27.31 C ATOM 690 CG LEU A 51 7.845 -3.965 -5.029 1.00 29.53 C ATOM 691 CD1 LEU A 51 7.230 -4.247 -3.650 1.00 26.39 C ATOM 692 CD2 LEU A 51 9.359 -4.256 -5.035 1.00 18.61 C ATOM 693 HA LEU A 51 8.413 -3.900 -7.666 1.00 0.00 H ATOM 694 HB2 LEU A 51 6.041 -4.640 -5.964 1.00 0.00 H ATOM 695 HB3 LEU A 51 7.412 -5.766 -6.102 1.00 0.00 H ATOM 696 HG LEU A 51 7.715 -2.902 -5.231 1.00 0.00 H ATOM 697 HD21 LEU A 51 9.523 -5.324 -4.894 1.00 0.00 H ATOM 698 HD22 LEU A 51 9.784 -3.945 -5.989 1.00 0.00 H ATOM 699 HD23 LEU A 51 9.837 -3.704 -4.226 1.00 0.00 H ATOM 700 HD11 LEU A 51 6.187 -3.932 -3.648 1.00 0.00 H ATOM 701 HD12 LEU A 51 7.289 -5.315 -3.439 1.00 0.00 H ATOM 702 HD13 LEU A 51 7.780 -3.694 -2.888 1.00 0.00 H ATOM 703 H LEU A 51 5.801 -2.781 -7.210 1.00 0.00 H ATOM 704 N ALA A 52 5.962 -5.715 -8.912 1.00 25.82 N ATOM 705 CA ALA A 52 5.662 -6.777 -9.875 1.00 24.86 C ATOM 706 C ALA A 52 6.399 -6.542 -11.193 1.00 26.15 C ATOM 707 O ALA A 52 7.029 -7.452 -11.727 1.00 28.44 O ATOM 708 CB ALA A 52 4.135 -6.874 -10.121 1.00 27.12 C ATOM 709 HA ALA A 52 6.007 -7.721 -9.454 1.00 0.00 H ATOM 710 HB1 ALA A 52 3.630 -7.096 -9.181 1.00 0.00 H ATOM 711 HB2 ALA A 52 3.771 -5.925 -10.515 1.00 0.00 H ATOM 712 HB3 ALA A 52 3.934 -7.669 -10.839 1.00 0.00 H ATOM 713 H ALA A 52 5.173 -5.220 -8.448 1.00 0.00 H ATOM 714 N HIS A 53 6.324 -5.318 -11.710 1.00 28.07 N ATOM 715 CA HIS A 53 6.973 -4.995 -12.979 1.00 28.27 C ATOM 716 C HIS A 53 8.483 -5.191 -12.907 1.00 26.79 C ATOM 717 O HIS A 53 9.054 -5.849 -13.774 1.00 26.48 O ATOM 718 CB HIS A 53 6.617 -3.573 -13.465 1.00 29.50 C ATOM 719 CG HIS A 53 7.213 -3.224 -14.801 1.00 32.63 C ATOM 720 ND1 HIS A 53 8.250 -2.321 -14.948 1.00 30.71 N ATOM 721 CD2 HIS A 53 6.962 -3.707 -16.042 1.00 29.59 C ATOM 722 CE1 HIS A 53 8.591 -2.247 -16.223 1.00 31.23 C ATOM 723 NE2 HIS A 53 7.865 -3.120 -16.897 1.00 32.83 N ATOM 724 HA HIS A 53 6.585 -5.697 -13.717 1.00 0.00 H ATOM 725 HB2 HIS A 53 5.532 -3.496 -13.541 1.00 0.00 H ATOM 726 HB3 HIS A 53 6.980 -2.856 -12.728 1.00 0.00 H ATOM 727 HD2 HIS A 53 6.189 -4.426 -16.312 1.00 0.00 H ATOM 728 HE1 HIS A 53 9.342 -1.580 -16.645 1.00 0.00 H ATOM 729 H HIS A 53 5.795 -4.580 -11.203 1.00 0.00 H ATOM 730 N LYS A 54 9.115 -4.651 -11.860 1.00 21.60 N ATOM 731 CA LYS A 54 10.571 -4.743 -11.681 1.00 24.78 C ATOM 732 C LYS A 54 11.015 -6.200 -11.589 1.00 25.72 C ATOM 733 O LYS A 54 12.091 -6.591 -12.100 1.00 25.59 O ATOM 734 CB LYS A 54 11.007 -4.016 -10.398 1.00 26.66 C ATOM 735 CG LYS A 54 10.807 -2.496 -10.414 1.00 28.83 C ATOM 736 CD LYS A 54 11.510 -1.831 -11.605 1.00 24.62 C ATOM 737 CE LYS A 54 11.540 -0.312 -11.444 1.00 32.81 C ATOM 738 NZ LYS A 54 12.588 0.329 -12.282 1.00 31.93 N ATOM 739 HA LYS A 54 11.037 -4.273 -12.547 1.00 0.00 H ATOM 740 HB2 LYS A 54 10.433 -4.424 -9.566 1.00 0.00 H ATOM 741 HB3 LYS A 54 12.067 -4.216 -10.239 1.00 0.00 H ATOM 742 HG2 LYS A 54 9.740 -2.283 -10.472 1.00 0.00 H ATOM 743 HG3 LYS A 54 11.210 -2.079 -9.491 1.00 0.00 H ATOM 744 HD2 LYS A 54 12.532 -2.203 -11.669 1.00 0.00 H ATOM 745 HD3 LYS A 54 10.975 -2.082 -12.521 1.00 0.00 H ATOM 746 HE2 LYS A 54 11.735 -0.075 -10.398 1.00 0.00 H ATOM 747 HE3 LYS A 54 10.568 0.090 -11.731 1.00 0.00 H ATOM 748 HZ1 LYS A 54 13.521 -0.041 -12.011 1.00 0.00 H ATOM 749 HZ2 LYS A 54 12.407 0.116 -13.284 1.00 0.00 H ATOM 750 HZ3 LYS A 54 12.566 1.358 -12.136 1.00 0.00 H ATOM 751 H LYS A 54 8.555 -4.146 -11.144 1.00 0.00 H ATOM 752 N ILE A 55 10.204 -6.981 -10.878 1.00 22.74 N ATOM 753 CA ILE A 55 10.504 -8.369 -10.593 1.00 22.00 C ATOM 754 C ILE A 55 10.432 -9.212 -11.871 1.00 21.84 C ATOM 755 O ILE A 55 11.065 -10.272 -11.973 1.00 16.72 O ATOM 756 CB ILE A 55 9.530 -8.937 -9.523 1.00 22.18 C ATOM 757 CG1 ILE A 55 9.905 -8.424 -8.129 1.00 20.90 C ATOM 758 CG2 ILE A 55 9.563 -10.472 -9.504 1.00 21.89 C ATOM 759 CD1 ILE A 55 8.814 -8.692 -7.090 1.00 17.61 C ATOM 760 HA ILE A 55 11.519 -8.418 -10.199 1.00 0.00 H ATOM 761 HB ILE A 55 8.527 -8.601 -9.786 1.00 0.00 H ATOM 762 HG12 ILE A 55 10.821 -8.920 -7.809 1.00 0.00 H ATOM 763 HG13 ILE A 55 10.076 -7.349 -8.187 1.00 0.00 H ATOM 764 HD11 ILE A 55 7.894 -8.193 -7.394 1.00 0.00 H ATOM 765 HD12 ILE A 55 8.640 -9.765 -7.017 1.00 0.00 H ATOM 766 HD13 ILE A 55 9.134 -8.307 -6.122 1.00 0.00 H ATOM 767 HG21 ILE A 55 9.268 -10.853 -10.482 1.00 0.00 H ATOM 768 HG22 ILE A 55 10.573 -10.810 -9.271 1.00 0.00 H ATOM 769 HG23 ILE A 55 8.872 -10.840 -8.746 1.00 0.00 H ATOM 770 H ILE A 55 9.318 -6.577 -10.512 1.00 0.00 H ATOM 771 N GLN A 56 9.667 -8.724 -12.845 1.00 25.59 N ATOM 772 CA GLN A 56 9.519 -9.410 -14.131 1.00 26.83 C ATOM 773 C GLN A 56 10.526 -8.942 -15.172 1.00 26.31 C ATOM 774 O GLN A 56 10.437 -9.311 -16.344 1.00 26.17 O ATOM 775 CB GLN A 56 8.092 -9.251 -14.655 1.00 28.13 C ATOM 776 CG GLN A 56 7.059 -9.959 -13.776 1.00 30.22 C ATOM 777 CD GLN A 56 5.644 -9.813 -14.293 1.00 38.91 C ATOM 778 OE1 GLN A 56 4.718 -10.482 -13.814 1.00 40.69 O ATOM 779 NE2 GLN A 56 5.460 -8.913 -15.251 1.00 36.00 N ATOM 780 HA GLN A 56 9.724 -10.465 -13.952 1.00 0.00 H ATOM 781 HB2 GLN A 56 7.850 -8.189 -14.692 1.00 0.00 H ATOM 782 HB3 GLN A 56 8.040 -9.669 -15.660 1.00 0.00 H ATOM 783 HG2 GLN A 56 7.306 -11.020 -13.734 1.00 0.00 H ATOM 784 HG3 GLN A 56 7.108 -9.536 -12.773 1.00 0.00 H ATOM 785 HE22 GLN A 56 6.269 -8.375 -15.622 1.00 0.00 H ATOM 786 HE21 GLN A 56 4.506 -8.745 -15.631 1.00 0.00 H ATOM 787 H GLN A 56 9.160 -7.830 -12.688 1.00 0.00 H ATOM 788 N SER A 57 11.481 -8.122 -14.743 1.00 26.42 N ATOM 789 CA SER A 57 12.522 -7.612 -15.635 1.00 26.29 C ATOM 790 C SER A 57 13.405 -8.729 -16.191 1.00 28.03 C ATOM 791 O SER A 57 13.858 -9.589 -15.436 1.00 29.36 O ATOM 792 CB SER A 57 13.393 -6.592 -14.912 1.00 24.75 C ATOM 793 OG SER A 57 14.311 -5.983 -15.804 1.00 30.13 O ATOM 794 HA SER A 57 12.013 -7.135 -16.473 1.00 0.00 H ATOM 795 HB2 SER A 57 13.947 -7.094 -14.119 1.00 0.00 H ATOM 796 HB3 SER A 57 12.755 -5.823 -14.477 1.00 0.00 H ATOM 797 HG SER A 57 14.863 -5.326 -15.310 1.00 0.00 H ATOM 798 H SER A 57 11.488 -7.835 -13.743 1.00 0.00 H ATOM 799 N PRO A 58 13.723 -8.656 -17.499 1.00 28.66 N ATOM 800 CA PRO A 58 14.710 -9.516 -18.150 1.00 30.14 C ATOM 801 C PRO A 58 16.111 -9.239 -17.648 1.00 28.41 C ATOM 802 O PRO A 58 17.040 -9.961 -17.991 1.00 29.85 O ATOM 803 CB PRO A 58 14.621 -9.125 -19.637 1.00 29.27 C ATOM 804 CG PRO A 58 13.451 -8.231 -19.758 1.00 31.53 C ATOM 805 CD PRO A 58 13.153 -7.663 -18.424 1.00 24.02 C ATOM 806 HA PRO A 58 14.512 -10.570 -17.956 1.00 0.00 H ATOM 807 HD3 PRO A 58 13.630 -6.691 -18.297 1.00 0.00 H ATOM 808 HD2 PRO A 58 12.078 -7.561 -18.274 1.00 0.00 H ATOM 809 HG3 PRO A 58 12.591 -8.797 -20.117 1.00 0.00 H ATOM 810 HG2 PRO A 58 13.674 -7.427 -20.459 1.00 0.00 H ATOM 811 HB2 PRO A 58 15.528 -8.605 -19.946 1.00 0.00 H ATOM 812 HB3 PRO A 58 14.484 -10.013 -20.254 1.00 0.00 H ATOM 813 N GLN A 59 16.294 -8.089 -17.023 1.00 27.30 N ATOM 814 CA GLN A 59 17.573 -7.777 -16.428 1.00 29.24 C ATOM 815 C GLN A 59 17.654 -8.295 -14.987 1.00 28.68 C ATOM 816 O GLN A 59 16.973 -7.792 -14.085 1.00 28.22 O ATOM 817 CB GLN A 59 17.848 -6.276 -16.515 1.00 31.96 C ATOM 818 CG GLN A 59 17.642 -5.684 -17.934 1.00 30.59 C ATOM 819 CD GLN A 59 17.972 -4.197 -17.999 1.00 31.29 C ATOM 820 OE1 GLN A 59 18.995 -3.752 -17.470 1.00 36.68 O ATOM 821 NE2 GLN A 59 17.195 -3.457 -18.779 1.00 39.81 N ATOM 822 HA GLN A 59 18.353 -8.289 -16.991 1.00 0.00 H ATOM 823 HB2 GLN A 59 17.176 -5.763 -15.827 1.00 0.00 H ATOM 824 HB3 GLN A 59 18.880 -6.097 -16.214 1.00 0.00 H ATOM 825 HG2 GLN A 59 18.287 -6.217 -18.633 1.00 0.00 H ATOM 826 HG3 GLN A 59 16.601 -5.824 -18.224 1.00 0.00 H ATOM 827 HE22 GLN A 59 16.341 -3.871 -19.206 1.00 0.00 H ATOM 828 HE21 GLN A 59 17.439 -2.463 -18.964 1.00 0.00 H ATOM 829 H GLN A 59 15.513 -7.405 -16.959 1.00 0.00 H ATOM 830 N GLU A 60 18.453 -9.339 -14.794 1.00 27.86 N ATOM 831 CA GLU A 60 18.399 -10.136 -13.578 1.00 26.96 C ATOM 832 C GLU A 60 18.638 -9.315 -12.299 1.00 29.22 C ATOM 833 O GLU A 60 18.007 -9.571 -11.251 1.00 27.14 O ATOM 834 CB GLU A 60 19.417 -11.270 -13.660 1.00 29.01 C ATOM 835 CG GLU A 60 19.041 -12.488 -12.817 1.00 35.94 C ATOM 836 CD GLU A 60 20.242 -13.231 -12.318 1.00 41.79 C ATOM 837 OE1 GLU A 60 21.157 -12.566 -11.786 1.00 53.54 O ATOM 838 OE2 GLU A 60 20.304 -14.462 -12.519 1.00 43.13 O ATOM 839 HA GLU A 60 17.387 -10.534 -13.509 1.00 0.00 H ATOM 840 HB2 GLU A 60 19.502 -11.583 -14.701 1.00 0.00 H ATOM 841 HB3 GLU A 60 20.380 -10.895 -13.315 1.00 0.00 H ATOM 842 HG2 GLU A 60 18.455 -12.154 -11.961 1.00 0.00 H ATOM 843 HG3 GLU A 60 18.440 -13.163 -13.426 1.00 0.00 H ATOM 844 H GLU A 60 19.137 -9.594 -15.534 1.00 0.00 H ATOM 845 N TRP A 61 19.555 -8.346 -12.380 1.00 25.98 N ATOM 846 CA TRP A 61 20.018 -7.607 -11.196 1.00 27.32 C ATOM 847 C TRP A 61 18.968 -6.575 -10.752 1.00 27.32 C ATOM 848 O TRP A 61 18.726 -6.385 -9.555 1.00 23.35 O ATOM 849 CB TRP A 61 21.365 -6.934 -11.490 1.00 27.66 C ATOM 850 CG TRP A 61 21.938 -6.127 -10.352 1.00 33.71 C ATOM 851 CD1 TRP A 61 22.470 -4.874 -10.434 1.00 27.93 C ATOM 852 CD2 TRP A 61 22.011 -6.504 -8.959 1.00 32.27 C ATOM 853 NE1 TRP A 61 22.853 -4.439 -9.194 1.00 30.09 N ATOM 854 CE2 TRP A 61 22.610 -5.423 -8.271 1.00 29.04 C ATOM 855 CE3 TRP A 61 21.699 -7.673 -8.245 1.00 27.27 C ATOM 856 CZ2 TRP A 61 22.924 -5.477 -6.903 1.00 27.62 C ATOM 857 CZ3 TRP A 61 21.994 -7.722 -6.877 1.00 29.71 C ATOM 858 CH2 TRP A 61 22.589 -6.623 -6.220 1.00 31.20 C ATOM 859 HA TRP A 61 20.157 -8.311 -10.375 1.00 0.00 H ATOM 860 HB2 TRP A 61 22.083 -7.713 -11.747 1.00 0.00 H ATOM 861 HB3 TRP A 61 21.231 -6.268 -12.343 1.00 0.00 H ATOM 862 HE1 TRP A 61 23.264 -3.507 -8.985 1.00 0.00 H ATOM 863 HD1 TRP A 61 22.575 -4.301 -11.355 1.00 0.00 H ATOM 864 HZ2 TRP A 61 23.414 -4.643 -6.402 1.00 0.00 H ATOM 865 HH2 TRP A 61 22.787 -6.684 -5.150 1.00 0.00 H ATOM 866 HZ3 TRP A 61 21.760 -8.623 -6.310 1.00 0.00 H ATOM 867 HE3 TRP A 61 21.237 -8.524 -8.745 1.00 0.00 H ATOM 868 H TRP A 61 19.954 -8.107 -13.310 1.00 0.00 H ATOM 869 N GLU A 62 18.233 -6.038 -11.726 1.00 25.03 N ATOM 870 CA GLU A 62 17.003 -5.313 -11.432 1.00 23.08 C ATOM 871 C GLU A 62 15.982 -6.189 -10.698 1.00 23.35 C ATOM 872 O GLU A 62 15.307 -5.707 -9.784 1.00 23.68 O ATOM 873 CB GLU A 62 16.386 -4.774 -12.723 1.00 20.32 C ATOM 874 CG GLU A 62 15.217 -3.815 -12.534 1.00 19.72 C ATOM 875 CD GLU A 62 14.951 -2.967 -13.787 1.00 26.45 C ATOM 876 OE1 GLU A 62 15.026 -1.735 -13.704 1.00 32.02 O ATOM 877 OE2 GLU A 62 14.779 -3.533 -14.879 1.00 21.79 O ATOM 878 HA GLU A 62 17.265 -4.483 -10.775 1.00 0.00 H ATOM 879 HB2 GLU A 62 17.166 -4.250 -13.276 1.00 0.00 H ATOM 880 HB3 GLU A 62 16.034 -5.623 -13.309 1.00 0.00 H ATOM 881 HG2 GLU A 62 14.322 -4.393 -12.305 1.00 0.00 H ATOM 882 HG3 GLU A 62 15.441 -3.149 -11.701 1.00 0.00 H ATOM 883 H GLU A 62 18.543 -6.138 -12.714 1.00 0.00 H ATOM 884 N ALA A 63 15.702 -7.372 -11.257 1.00 20.21 N ATOM 885 CA ALA A 63 14.712 -8.281 -10.689 1.00 19.04 C ATOM 886 C ALA A 63 15.124 -8.772 -9.290 1.00 19.62 C ATOM 887 O ALA A 63 14.334 -8.698 -8.359 1.00 22.95 O ATOM 888 CB ALA A 63 14.461 -9.470 -11.627 1.00 17.31 C ATOM 889 HA ALA A 63 13.782 -7.722 -10.581 1.00 0.00 H ATOM 890 HB1 ALA A 63 14.093 -9.104 -12.585 1.00 0.00 H ATOM 891 HB2 ALA A 63 15.393 -10.015 -11.778 1.00 0.00 H ATOM 892 HB3 ALA A 63 13.719 -10.133 -11.181 1.00 0.00 H ATOM 893 H ALA A 63 16.205 -7.652 -12.123 1.00 0.00 H ATOM 894 N ILE A 64 16.408 -9.072 -9.112 1.00 25.14 N ATOM 895 CA ILE A 64 16.927 -9.569 -7.835 1.00 26.23 C ATOM 896 C ILE A 64 16.872 -8.512 -6.741 1.00 26.70 C ATOM 897 O ILE A 64 16.485 -8.801 -5.608 1.00 27.62 O ATOM 898 CB ILE A 64 18.388 -10.098 -7.982 1.00 27.65 C ATOM 899 CG1 ILE A 64 18.377 -11.480 -8.643 1.00 27.30 C ATOM 900 CG2 ILE A 64 19.104 -10.147 -6.628 1.00 24.07 C ATOM 901 CD1 ILE A 64 17.572 -12.520 -7.877 1.00 36.22 C ATOM 902 HA ILE A 64 16.278 -10.394 -7.542 1.00 0.00 H ATOM 903 HB ILE A 64 18.941 -9.406 -8.617 1.00 0.00 H ATOM 904 HG12 ILE A 64 17.950 -11.381 -9.641 1.00 0.00 H ATOM 905 HG13 ILE A 64 19.406 -11.831 -8.723 1.00 0.00 H ATOM 906 HD11 ILE A 64 17.993 -12.641 -6.879 1.00 0.00 H ATOM 907 HD12 ILE A 64 16.536 -12.190 -7.798 1.00 0.00 H ATOM 908 HD13 ILE A 64 17.612 -13.471 -8.407 1.00 0.00 H ATOM 909 HG21 ILE A 64 19.140 -9.145 -6.201 1.00 0.00 H ATOM 910 HG22 ILE A 64 18.561 -10.811 -5.955 1.00 0.00 H ATOM 911 HG23 ILE A 64 20.119 -10.520 -6.768 1.00 0.00 H ATOM 912 H ILE A 64 17.067 -8.949 -9.907 1.00 0.00 H ATOM 913 N GLN A 65 17.235 -7.282 -7.096 1.00 24.99 N ATOM 914 CA GLN A 65 17.105 -6.151 -6.187 1.00 24.15 C ATOM 915 C GLN A 65 15.647 -5.894 -5.790 1.00 24.07 C ATOM 916 O GLN A 65 15.357 -5.486 -4.667 1.00 24.47 O ATOM 917 CB GLN A 65 17.723 -4.891 -6.806 1.00 25.13 C ATOM 918 CG GLN A 65 19.247 -4.871 -6.765 1.00 23.51 C ATOM 919 CD GLN A 65 19.840 -3.580 -7.331 1.00 28.18 C ATOM 920 OE1 GLN A 65 20.464 -2.805 -6.604 1.00 33.09 O ATOM 921 NE2 GLN A 65 19.697 -3.377 -8.644 1.00 23.46 N ATOM 922 HA GLN A 65 17.649 -6.403 -5.277 1.00 0.00 H ATOM 923 HB2 GLN A 65 17.406 -4.828 -7.847 1.00 0.00 H ATOM 924 HB3 GLN A 65 17.353 -4.023 -6.261 1.00 0.00 H ATOM 925 HG2 GLN A 65 19.569 -4.977 -5.729 1.00 0.00 H ATOM 926 HG3 GLN A 65 19.622 -5.712 -7.349 1.00 0.00 H ATOM 927 HE22 GLN A 65 19.162 -4.058 -9.220 1.00 0.00 H ATOM 928 HE21 GLN A 65 20.121 -2.538 -9.090 1.00 0.00 H ATOM 929 H GLN A 65 17.622 -7.124 -8.048 1.00 0.00 H ATOM 930 N ALA A 66 14.753 -6.014 -6.758 1.00 24.88 N ATOM 931 CA ALA A 66 13.336 -5.805 -6.512 1.00 23.86 C ATOM 932 C ALA A 66 12.784 -6.814 -5.504 1.00 23.57 C ATOM 933 O ALA A 66 11.922 -6.472 -4.702 1.00 23.40 O ATOM 934 CB ALA A 66 12.565 -5.889 -7.809 1.00 20.93 C ATOM 935 HA ALA A 66 13.216 -4.809 -6.085 1.00 0.00 H ATOM 936 HB1 ALA A 66 12.926 -5.123 -8.495 1.00 0.00 H ATOM 937 HB2 ALA A 66 12.710 -6.874 -8.253 1.00 0.00 H ATOM 938 HB3 ALA A 66 11.505 -5.731 -7.611 1.00 0.00 H ATOM 939 H ALA A 66 15.071 -6.263 -7.716 1.00 0.00 H ATOM 940 N LEU A 67 13.171 -8.081 -5.658 1.00 22.80 N ATOM 941 CA LEU A 67 12.828 -9.112 -4.688 1.00 23.28 C ATOM 942 C LEU A 67 13.361 -8.828 -3.289 1.00 24.28 C ATOM 943 O LEU A 67 12.799 -9.322 -2.322 1.00 21.99 O ATOM 944 CB LEU A 67 13.309 -10.487 -5.151 1.00 18.15 C ATOM 945 CG LEU A 67 12.531 -11.028 -6.345 1.00 25.81 C ATOM 946 CD1 LEU A 67 13.280 -12.171 -7.012 1.00 21.48 C ATOM 947 CD2 LEU A 67 11.088 -11.418 -5.970 1.00 16.82 C ATOM 948 HA LEU A 67 11.740 -9.106 -4.627 1.00 0.00 H ATOM 949 HB2 LEU A 67 14.360 -10.411 -5.429 1.00 0.00 H ATOM 950 HB3 LEU A 67 13.203 -11.188 -4.323 1.00 0.00 H ATOM 951 HG LEU A 67 12.448 -10.222 -7.074 1.00 0.00 H ATOM 952 HD21 LEU A 67 11.110 -12.190 -5.201 1.00 0.00 H ATOM 953 HD22 LEU A 67 10.563 -10.541 -5.592 1.00 0.00 H ATOM 954 HD23 LEU A 67 10.574 -11.798 -6.853 1.00 0.00 H ATOM 955 HD11 LEU A 67 14.250 -11.815 -7.359 1.00 0.00 H ATOM 956 HD12 LEU A 67 13.424 -12.978 -6.293 1.00 0.00 H ATOM 957 HD13 LEU A 67 12.701 -12.537 -7.860 1.00 0.00 H ATOM 958 H LEU A 67 13.733 -8.340 -6.494 1.00 0.00 H ATOM 959 N THR A 68 14.543 -8.207 -3.215 1.00 25.74 N ATOM 960 CA THR A 68 15.168 -7.827 -1.957 1.00 26.34 C ATOM 961 C THR A 68 14.339 -6.740 -1.272 1.00 28.58 C ATOM 962 O THR A 68 14.185 -6.741 -0.041 1.00 27.22 O ATOM 963 CB THR A 68 16.623 -7.299 -2.181 1.00 30.22 C ATOM 964 OG1 THR A 68 17.488 -8.393 -2.501 1.00 33.28 O ATOM 965 CG2 THR A 68 17.170 -6.596 -0.927 1.00 24.87 C ATOM 966 HA THR A 68 15.215 -8.715 -1.326 1.00 0.00 H ATOM 967 HB THR A 68 16.590 -6.580 -3.000 1.00 0.00 H ATOM 968 HG1 THR A 68 17.167 -8.835 -3.327 1.00 0.00 H ATOM 969 HG23 THR A 68 16.521 -5.759 -0.669 1.00 0.00 H ATOM 970 HG21 THR A 68 17.198 -7.304 -0.098 1.00 0.00 H ATOM 971 HG22 THR A 68 18.177 -6.229 -1.128 1.00 0.00 H ATOM 972 H THR A 68 15.040 -7.984 -4.101 1.00 0.00 H ATOM 973 N VAL A 69 13.839 -5.802 -2.073 1.00 23.95 N ATOM 974 CA VAL A 69 12.874 -4.806 -1.603 1.00 25.22 C ATOM 975 C VAL A 69 11.594 -5.464 -1.095 1.00 24.61 C ATOM 976 O VAL A 69 11.113 -5.155 0.001 1.00 25.11 O ATOM 977 CB VAL A 69 12.501 -3.801 -2.725 1.00 23.91 C ATOM 978 CG1 VAL A 69 11.388 -2.864 -2.255 1.00 24.11 C ATOM 979 CG2 VAL A 69 13.733 -3.001 -3.177 1.00 24.28 C ATOM 980 HA VAL A 69 13.357 -4.272 -0.785 1.00 0.00 H ATOM 981 HB VAL A 69 12.135 -4.366 -3.582 1.00 0.00 H ATOM 982 HG11 VAL A 69 10.506 -3.450 -1.996 1.00 0.00 H ATOM 983 HG12 VAL A 69 11.727 -2.309 -1.380 1.00 0.00 H ATOM 984 HG13 VAL A 69 11.140 -2.167 -3.055 1.00 0.00 H ATOM 985 HG21 VAL A 69 14.136 -2.447 -2.329 1.00 0.00 H ATOM 986 HG22 VAL A 69 14.490 -3.687 -3.557 1.00 0.00 H ATOM 987 HG23 VAL A 69 13.444 -2.304 -3.964 1.00 0.00 H ATOM 988 H VAL A 69 14.144 -5.776 -3.067 1.00 0.00 H ATOM 989 N LEU A 70 10.993 -6.304 -1.934 1.00 22.02 N ATOM 990 CA LEU A 70 9.836 -7.087 -1.523 1.00 21.26 C ATOM 991 C LEU A 70 10.031 -7.792 -0.165 1.00 21.69 C ATOM 992 O LEU A 70 9.239 -7.602 0.773 1.00 21.78 O ATOM 993 CB LEU A 70 9.489 -8.099 -2.614 1.00 21.89 C ATOM 994 CG LEU A 70 8.308 -9.033 -2.336 1.00 18.79 C ATOM 995 CD1 LEU A 70 6.984 -8.273 -1.992 1.00 12.90 C ATOM 996 CD2 LEU A 70 8.164 -9.948 -3.519 1.00 12.05 C ATOM 997 HA LEU A 70 9.007 -6.392 -1.385 1.00 0.00 H ATOM 998 HB2 LEU A 70 9.262 -7.541 -3.522 1.00 0.00 H ATOM 999 HB3 LEU A 70 10.369 -8.720 -2.781 1.00 0.00 H ATOM 1000 HG LEU A 70 8.512 -9.616 -1.438 1.00 0.00 H ATOM 1001 HD21 LEU A 70 7.978 -9.355 -4.415 1.00 0.00 H ATOM 1002 HD22 LEU A 70 9.082 -10.522 -3.646 1.00 0.00 H ATOM 1003 HD23 LEU A 70 7.329 -10.628 -3.351 1.00 0.00 H ATOM 1004 HD11 LEU A 70 7.137 -7.663 -1.102 1.00 0.00 H ATOM 1005 HD12 LEU A 70 6.706 -7.632 -2.829 1.00 0.00 H ATOM 1006 HD13 LEU A 70 6.189 -8.996 -1.807 1.00 0.00 H ATOM 1007 H LEU A 70 11.357 -6.403 -2.903 1.00 0.00 H ATOM 1008 N GLU A 71 11.066 -8.625 -0.087 1.00 19.69 N ATOM 1009 CA GLU A 71 11.476 -9.270 1.149 1.00 23.05 C ATOM 1010 C GLU A 71 11.598 -8.311 2.353 1.00 25.54 C ATOM 1011 O GLU A 71 11.061 -8.580 3.439 1.00 25.21 O ATOM 1012 CB GLU A 71 12.792 -10.023 0.947 1.00 20.66 C ATOM 1013 CG GLU A 71 13.230 -10.791 2.185 1.00 27.30 C ATOM 1014 CD GLU A 71 14.418 -11.719 1.937 1.00 40.37 C ATOM 1015 OE1 GLU A 71 15.305 -11.376 1.124 1.00 39.00 O ATOM 1016 OE2 GLU A 71 14.516 -12.744 2.645 1.00 48.21 O ATOM 1017 HA GLU A 71 10.676 -9.967 1.396 1.00 0.00 H ATOM 1018 HB2 GLU A 71 12.667 -10.729 0.126 1.00 0.00 H ATOM 1019 HB3 GLU A 71 13.569 -9.303 0.691 1.00 0.00 H ATOM 1020 HG2 GLU A 71 13.508 -10.073 2.957 1.00 0.00 H ATOM 1021 HG3 GLU A 71 12.390 -11.391 2.534 1.00 0.00 H ATOM 1022 H GLU A 71 11.607 -8.824 -0.952 1.00 0.00 H ATOM 1023 N THR A 72 12.354 -7.236 2.170 1.00 23.54 N ATOM 1024 CA THR A 72 12.584 -6.255 3.223 1.00 24.51 C ATOM 1025 C THR A 72 11.295 -5.688 3.805 1.00 26.73 C ATOM 1026 O THR A 72 11.139 -5.624 5.028 1.00 29.87 O ATOM 1027 CB THR A 72 13.473 -5.099 2.719 1.00 26.02 C ATOM 1028 OG1 THR A 72 14.712 -5.641 2.250 1.00 22.47 O ATOM 1029 CG2 THR A 72 13.741 -4.080 3.848 1.00 25.20 C ATOM 1030 HA THR A 72 13.096 -6.792 4.022 1.00 0.00 H ATOM 1031 HB THR A 72 12.960 -4.580 1.910 1.00 0.00 H ATOM 1032 HG1 THR A 72 14.535 -6.275 1.511 1.00 0.00 H ATOM 1033 HG23 THR A 72 12.793 -3.672 4.200 1.00 0.00 H ATOM 1034 HG21 THR A 72 14.252 -4.578 4.672 1.00 0.00 H ATOM 1035 HG22 THR A 72 14.366 -3.273 3.466 1.00 0.00 H ATOM 1036 H THR A 72 12.799 -7.088 1.241 1.00 0.00 H ATOM 1037 N CYS A 73 10.404 -5.223 2.929 1.00 25.32 N ATOM 1038 CA CYS A 73 9.171 -4.567 3.355 1.00 24.69 C ATOM 1039 C CYS A 73 8.156 -5.572 3.895 1.00 24.51 C ATOM 1040 O CYS A 73 7.204 -5.195 4.590 1.00 23.77 O ATOM 1041 CB CYS A 73 8.523 -3.778 2.197 1.00 22.17 C ATOM 1042 SG CYS A 73 9.500 -2.459 1.380 1.00 27.63 S ATOM 1043 HA CYS A 73 9.449 -3.877 4.152 1.00 0.00 H ATOM 1044 HB2 CYS A 73 7.620 -3.312 2.591 1.00 0.00 H ATOM 1045 HB3 CYS A 73 8.252 -4.501 1.428 1.00 0.00 H ATOM 1046 H CYS A 73 10.593 -5.331 1.912 1.00 0.00 H ATOM 1047 N MET A 74 8.242 -6.818 3.444 1.00 25.80 N ATOM 1048 CA MET A 74 7.345 -7.835 3.987 1.00 24.52 C ATOM 1049 C MET A 74 7.713 -8.090 5.451 1.00 28.54 C ATOM 1050 O MET A 74 6.842 -8.170 6.323 1.00 30.02 O ATOM 1051 CB MET A 74 7.437 -9.127 3.169 1.00 25.52 C ATOM 1052 CG MET A 74 6.559 -9.160 1.897 1.00 25.07 C ATOM 1053 SD MET A 74 4.780 -9.002 2.211 1.00 27.10 S ATOM 1054 CE MET A 74 4.313 -10.702 2.526 1.00 17.66 C ATOM 1055 HA MET A 74 6.315 -7.482 3.930 1.00 0.00 H ATOM 1056 HB2 MET A 74 8.475 -9.263 2.867 1.00 0.00 H ATOM 1057 HB3 MET A 74 7.135 -9.955 3.810 1.00 0.00 H ATOM 1058 HG2 MET A 74 6.733 -10.107 1.387 1.00 0.00 H ATOM 1059 HG3 MET A 74 6.866 -8.339 1.249 1.00 0.00 H ATOM 1060 HE1 MET A 74 4.542 -11.309 1.650 1.00 0.00 H ATOM 1061 HE2 MET A 74 4.869 -11.077 3.385 1.00 0.00 H ATOM 1062 HE3 MET A 74 3.244 -10.751 2.734 1.00 0.00 H ATOM 1063 H MET A 74 8.939 -7.067 2.713 1.00 0.00 H ATOM 1064 N LYS A 75 9.011 -8.104 5.736 1.00 30.30 N ATOM 1065 CA LYS A 75 9.485 -8.235 7.111 1.00 33.32 C ATOM 1066 C LYS A 75 9.164 -7.022 7.993 1.00 33.98 C ATOM 1067 O LYS A 75 8.812 -7.182 9.156 1.00 35.79 O ATOM 1068 CB LYS A 75 10.987 -8.531 7.137 1.00 33.23 C ATOM 1069 CG LYS A 75 11.337 -9.919 6.615 1.00 38.34 C ATOM 1070 CD LYS A 75 12.846 -10.144 6.588 1.00 49.86 C ATOM 1071 CE LYS A 75 13.192 -11.491 5.950 1.00 57.79 C ATOM 1072 NZ LYS A 75 14.667 -11.725 5.846 1.00 60.05 N ATOM 1073 HA LYS A 75 8.938 -9.075 7.538 1.00 0.00 H ATOM 1074 HB2 LYS A 75 11.497 -7.791 6.520 1.00 0.00 H ATOM 1075 HB3 LYS A 75 11.338 -8.449 8.166 1.00 0.00 H ATOM 1076 HG2 LYS A 75 10.879 -10.667 7.262 1.00 0.00 H ATOM 1077 HG3 LYS A 75 10.945 -10.026 5.604 1.00 0.00 H ATOM 1078 HD2 LYS A 75 13.315 -9.346 6.012 1.00 0.00 H ATOM 1079 HD3 LYS A 75 13.227 -10.125 7.609 1.00 0.00 H ATOM 1080 HE2 LYS A 75 12.763 -11.522 4.948 1.00 0.00 H ATOM 1081 HE3 LYS A 75 12.755 -12.285 6.556 1.00 0.00 H ATOM 1082 HZ1 LYS A 75 15.095 -10.978 5.262 1.00 0.00 H ATOM 1083 HZ2 LYS A 75 15.088 -11.707 6.797 1.00 0.00 H ATOM 1084 HZ3 LYS A 75 14.840 -12.652 5.407 1.00 0.00 H ATOM 1085 H LYS A 75 9.703 -8.020 4.964 1.00 0.00 H ATOM 1086 N SER A 76 9.268 -5.815 7.444 1.00 27.47 N ATOM 1087 CA SER A 76 9.216 -4.609 8.274 1.00 30.89 C ATOM 1088 C SER A 76 7.834 -3.977 8.381 1.00 32.85 C ATOM 1089 O SER A 76 7.509 -3.357 9.387 1.00 33.15 O ATOM 1090 CB SER A 76 10.255 -3.568 7.829 1.00 29.91 C ATOM 1091 OG SER A 76 10.089 -3.202 6.468 1.00 33.45 O ATOM 1092 HA SER A 76 9.466 -4.953 9.278 1.00 0.00 H ATOM 1093 HB2 SER A 76 11.253 -3.986 7.962 1.00 0.00 H ATOM 1094 HB3 SER A 76 10.150 -2.678 8.449 1.00 0.00 H ATOM 1095 HG SER A 76 10.775 -2.532 6.222 1.00 0.00 H ATOM 1096 H SER A 76 9.387 -5.726 6.415 1.00 0.00 H ATOM 1097 N CYS A 77 7.036 -4.083 7.325 1.00 34.01 N ATOM 1098 CA CYS A 77 5.766 -3.371 7.282 1.00 34.90 C ATOM 1099 C CYS A 77 4.617 -4.185 7.867 1.00 34.14 C ATOM 1100 O CYS A 77 4.826 -5.261 8.415 1.00 31.56 O ATOM 1101 CB CYS A 77 5.453 -2.901 5.855 1.00 34.66 C ATOM 1102 SG CYS A 77 6.376 -1.416 5.302 1.00 38.62 S ATOM 1103 HA CYS A 77 5.871 -2.491 7.917 1.00 0.00 H ATOM 1104 HB2 CYS A 77 4.388 -2.676 5.800 1.00 0.00 H ATOM 1105 HB3 CYS A 77 5.687 -3.718 5.172 1.00 0.00 H ATOM 1106 HG CYS A 77 6.005 -1.100 4.011 1.00 0.00 H ATOM 1107 H CYS A 77 7.320 -4.679 6.522 1.00 0.00 H ATOM 1108 N GLY A 78 3.404 -3.667 7.716 1.00 54.98 N ATOM 1109 CA GLY A 78 2.346 -4.314 6.921 1.00 58.48 C ATOM 1110 C GLY A 78 1.423 -4.648 8.048 1.00 60.26 C ATOM 1111 O GLY A 78 1.933 -4.736 9.156 1.00 64.37 O ATOM 1112 HA3 GLY A 78 2.703 -5.203 6.401 1.00 0.00 H ATOM 1113 HA2 GLY A 78 1.892 -3.632 6.202 1.00 0.00 H ATOM 1114 H GLY A 78 3.191 -2.762 8.181 1.00 0.00 H ATOM 1115 N LYS A 79 0.141 -4.333 7.894 1.00 42.25 N ATOM 1116 CA LYS A 79 -0.887 -5.287 7.519 1.00 40.93 C ATOM 1117 C LYS A 79 -1.454 -4.878 6.167 1.00 38.27 C ATOM 1118 O LYS A 79 -1.799 -5.729 5.345 1.00 34.39 O ATOM 1119 CB LYS A 79 -2.010 -5.288 8.561 1.00 42.76 C ATOM 1120 CG LYS A 79 -3.205 -6.162 8.200 1.00 48.11 C ATOM 1121 CD LYS A 79 -4.452 -5.743 8.969 1.00 56.91 C ATOM 1122 CE LYS A 79 -5.450 -6.896 9.110 1.00 62.17 C ATOM 1123 NZ LYS A 79 -6.491 -6.894 8.039 1.00 52.85 N ATOM 1124 HA LYS A 79 -0.457 -6.287 7.465 1.00 0.00 H ATOM 1125 HB2 LYS A 79 -1.599 -5.646 9.505 1.00 0.00 H ATOM 1126 HB3 LYS A 79 -2.362 -4.264 8.684 1.00 0.00 H ATOM 1127 HG2 LYS A 79 -3.400 -6.073 7.131 1.00 0.00 H ATOM 1128 HG3 LYS A 79 -2.972 -7.199 8.440 1.00 0.00 H ATOM 1129 HD2 LYS A 79 -4.157 -5.408 9.963 1.00 0.00 H ATOM 1130 HD3 LYS A 79 -4.934 -4.922 8.439 1.00 0.00 H ATOM 1131 HE2 LYS A 79 -5.945 -6.812 10.078 1.00 0.00 H ATOM 1132 HE3 LYS A 79 -4.903 -7.838 9.063 1.00 0.00 H ATOM 1133 HZ1 LYS A 79 -7.026 -6.003 8.079 1.00 0.00 H ATOM 1134 HZ2 LYS A 79 -6.031 -6.982 7.110 1.00 0.00 H ATOM 1135 HZ3 LYS A 79 -7.138 -7.695 8.185 1.00 0.00 H ATOM 1136 H LYS A 79 -0.142 -3.345 8.051 1.00 0.00 H ATOM 1137 N ARG A 80 -1.504 -3.570 5.929 1.00 38.66 N ATOM 1138 CA ARG A 80 -1.882 -3.045 4.623 1.00 40.51 C ATOM 1139 C ARG A 80 -0.988 -3.595 3.527 1.00 38.51 C ATOM 1140 O ARG A 80 -1.477 -4.147 2.543 1.00 39.10 O ATOM 1141 CB ARG A 80 -1.861 -1.516 4.616 1.00 41.21 C ATOM 1142 CG ARG A 80 -3.057 -0.898 5.329 1.00 50.48 C ATOM 1143 CD ARG A 80 -3.005 0.620 5.318 1.00 57.59 C ATOM 1144 NE ARG A 80 -1.666 1.134 5.589 1.00 55.94 N ATOM 1145 CZ ARG A 80 -1.041 2.023 4.824 1.00 59.92 C ATOM 1146 NH1 ARG A 80 -1.631 2.498 3.736 1.00 65.07 N ATOM 1147 NH2 ARG A 80 0.176 2.432 5.141 1.00 64.64 N ATOM 1148 HA ARG A 80 -2.902 -3.373 4.423 1.00 0.00 H ATOM 1149 HB2 ARG A 80 -0.950 -1.179 5.111 1.00 0.00 H ATOM 1150 HB3 ARG A 80 -1.859 -1.174 3.581 1.00 0.00 H ATOM 1151 HG2 ARG A 80 -3.970 -1.223 4.830 1.00 0.00 H ATOM 1152 HG3 ARG A 80 -3.067 -1.242 6.363 1.00 0.00 H ATOM 1153 HD2 ARG A 80 -3.686 0.999 6.080 1.00 0.00 H ATOM 1154 HD3 ARG A 80 -3.324 0.974 4.338 1.00 0.00 H ATOM 1155 HE ARG A 80 -1.170 0.783 6.433 1.00 0.00 H ATOM 1156 HH12 ARG A 80 -1.139 3.194 3.139 1.00 0.00 H ATOM 1157 HH11 ARG A 80 -2.586 2.175 3.479 1.00 0.00 H ATOM 1158 HH22 ARG A 80 0.663 3.128 4.541 1.00 0.00 H ATOM 1159 HH21 ARG A 80 0.646 2.058 5.990 1.00 0.00 H ATOM 1160 H ARG A 80 -1.268 -2.906 6.694 1.00 0.00 H ATOM 1161 N PHE A 81 0.316 -3.612 3.783 1.00 35.64 N ATOM 1162 CA PHE A 81 1.239 -4.145 2.804 1.00 31.52 C ATOM 1163 C PHE A 81 1.134 -5.668 2.659 1.00 31.17 C ATOM 1164 O PHE A 81 1.118 -6.195 1.535 1.00 29.91 O ATOM 1165 CB PHE A 81 2.668 -3.738 3.116 1.00 29.79 C ATOM 1166 CG PHE A 81 3.634 -4.078 2.015 1.00 26.69 C ATOM 1167 CD1 PHE A 81 3.448 -3.567 0.733 1.00 24.56 C ATOM 1168 CD2 PHE A 81 4.642 -5.003 2.225 1.00 17.86 C ATOM 1169 CE1 PHE A 81 4.316 -3.895 -0.295 1.00 25.33 C ATOM 1170 CE2 PHE A 81 5.537 -5.317 1.210 1.00 23.21 C ATOM 1171 CZ PHE A 81 5.375 -4.758 -0.057 1.00 19.81 C ATOM 1172 HA PHE A 81 0.953 -3.711 1.846 1.00 0.00 H ATOM 1173 HB2 PHE A 81 2.694 -2.661 3.280 1.00 0.00 H ATOM 1174 HB3 PHE A 81 2.984 -4.250 4.025 1.00 0.00 H ATOM 1175 HD2 PHE A 81 4.734 -5.490 3.196 1.00 0.00 H ATOM 1176 HE2 PHE A 81 6.365 -5.999 1.404 1.00 0.00 H ATOM 1177 HZ PHE A 81 6.077 -4.998 -0.856 1.00 0.00 H ATOM 1178 HE1 PHE A 81 4.167 -3.475 -1.290 1.00 0.00 H ATOM 1179 HD1 PHE A 81 2.608 -2.900 0.536 1.00 0.00 H ATOM 1180 H PHE A 81 0.673 -3.242 4.687 1.00 0.00 H ATOM 1181 N HIS A 82 1.157 -6.371 3.790 1.00 29.20 N ATOM 1182 CA HIS A 82 0.893 -7.809 3.823 1.00 26.59 C ATOM 1183 C HIS A 82 -0.362 -8.254 3.058 1.00 26.55 C ATOM 1184 O HIS A 82 -0.323 -9.225 2.309 1.00 26.64 O ATOM 1185 CB HIS A 82 0.870 -8.312 5.270 1.00 28.58 C ATOM 1186 CG HIS A 82 2.198 -8.205 5.960 1.00 26.17 C ATOM 1187 ND1 HIS A 82 2.316 -8.047 7.324 1.00 26.24 N ATOM 1188 CD2 HIS A 82 3.455 -8.117 5.462 1.00 21.79 C ATOM 1189 CE1 HIS A 82 3.591 -7.893 7.640 1.00 26.91 C ATOM 1190 NE2 HIS A 82 4.305 -7.944 6.528 1.00 27.13 N ATOM 1191 HA HIS A 82 1.720 -8.273 3.285 1.00 0.00 H ATOM 1192 HB2 HIS A 82 0.142 -7.724 5.829 1.00 0.00 H ATOM 1193 HB3 HIS A 82 0.565 -9.358 5.267 1.00 0.00 H ATOM 1194 HD2 HIS A 82 3.739 -8.173 4.411 1.00 0.00 H ATOM 1195 HE1 HIS A 82 3.986 -7.749 8.646 1.00 0.00 H ATOM 1196 H HIS A 82 1.370 -5.880 4.682 1.00 0.00 H ATOM 1197 N ASP A 83 -1.428 -7.463 3.140 1.00 32.31 N ATOM 1198 CA ASP A 83 -2.684 -7.776 2.464 1.00 32.59 C ATOM 1199 C ASP A 83 -2.599 -7.557 0.952 1.00 33.06 C ATOM 1200 O ASP A 83 -3.252 -8.268 0.171 1.00 35.03 O ATOM 1201 CB ASP A 83 -3.822 -6.921 3.032 1.00 37.45 C ATOM 1202 CG ASP A 83 -4.208 -7.308 4.460 1.00 40.07 C ATOM 1203 OD1 ASP A 83 -4.895 -6.499 5.117 1.00 45.70 O ATOM 1204 OD2 ASP A 83 -3.875 -8.425 4.909 1.00 44.37 O ATOM 1205 HA ASP A 83 -2.884 -8.833 2.642 1.00 0.00 H ATOM 1206 HB2 ASP A 83 -3.507 -5.877 3.028 1.00 0.00 H ATOM 1207 HB3 ASP A 83 -4.697 -7.038 2.392 1.00 0.00 H ATOM 1208 H ASP A 83 -1.365 -6.592 3.705 1.00 0.00 H ATOM 1209 N GLU A 84 -1.908 -6.497 0.539 1.00 33.25 N ATOM 1210 CA GLU A 84 -1.748 -6.233 -0.886 1.00 34.61 C ATOM 1211 C GLU A 84 -0.955 -7.360 -1.557 1.00 32.75 C ATOM 1212 O GLU A 84 -1.288 -7.801 -2.664 1.00 32.80 O ATOM 1213 CB GLU A 84 -1.082 -4.880 -1.126 1.00 33.78 C ATOM 1214 CG GLU A 84 -2.033 -3.724 -1.220 1.00 43.16 C ATOM 1215 CD GLU A 84 -3.265 -4.044 -2.037 1.00 52.29 C ATOM 1216 OE1 GLU A 84 -3.136 -4.230 -3.266 1.00 53.37 O ATOM 1217 OE2 GLU A 84 -4.366 -4.113 -1.445 1.00 53.65 O ATOM 1218 HA GLU A 84 -2.740 -6.197 -1.336 1.00 0.00 H ATOM 1219 HB2 GLU A 84 -0.394 -4.689 -0.303 1.00 0.00 H ATOM 1220 HB3 GLU A 84 -0.522 -4.937 -2.060 1.00 0.00 H ATOM 1221 HG2 GLU A 84 -2.345 -3.446 -0.213 1.00 0.00 H ATOM 1222 HG3 GLU A 84 -1.516 -2.884 -1.684 1.00 0.00 H ATOM 1223 H GLU A 84 -1.480 -5.854 1.236 1.00 0.00 H ATOM 1224 N VAL A 85 0.062 -7.853 -0.858 1.00 27.03 N ATOM 1225 CA VAL A 85 0.913 -8.899 -1.392 1.00 26.33 C ATOM 1226 C VAL A 85 0.196 -10.255 -1.344 1.00 28.65 C ATOM 1227 O VAL A 85 0.345 -11.074 -2.255 1.00 27.45 O ATOM 1228 CB VAL A 85 2.277 -8.941 -0.664 1.00 25.34 C ATOM 1229 CG1 VAL A 85 3.077 -10.186 -1.034 1.00 18.12 C ATOM 1230 CG2 VAL A 85 3.064 -7.691 -0.972 1.00 19.02 C ATOM 1231 HA VAL A 85 1.120 -8.671 -2.438 1.00 0.00 H ATOM 1232 HB VAL A 85 2.085 -8.987 0.408 1.00 0.00 H ATOM 1233 HG11 VAL A 85 2.512 -11.075 -0.756 1.00 0.00 H ATOM 1234 HG12 VAL A 85 3.261 -10.192 -2.108 1.00 0.00 H ATOM 1235 HG13 VAL A 85 4.028 -10.177 -0.501 1.00 0.00 H ATOM 1236 HG21 VAL A 85 3.232 -7.625 -2.047 1.00 0.00 H ATOM 1237 HG22 VAL A 85 2.504 -6.818 -0.636 1.00 0.00 H ATOM 1238 HG23 VAL A 85 4.023 -7.730 -0.455 1.00 0.00 H ATOM 1239 H VAL A 85 0.252 -7.480 0.094 1.00 0.00 H ATOM 1240 N GLY A 86 -0.722 -10.395 -0.395 1.00 27.04 N ATOM 1241 CA GLY A 86 -1.526 -11.608 -0.270 1.00 28.25 C ATOM 1242 C GLY A 86 -2.810 -11.573 -1.092 1.00 32.81 C ATOM 1243 O GLY A 86 -3.790 -12.227 -0.751 1.00 31.46 O ATOM 1244 HA3 GLY A 86 -1.791 -11.740 0.779 1.00 0.00 H ATOM 1245 HA2 GLY A 86 -0.926 -12.456 -0.602 1.00 0.00 H ATOM 1246 H GLY A 86 -0.873 -9.618 0.279 1.00 0.00 H ATOM 1247 N LYS A 87 -2.791 -10.836 -2.201 1.00 33.73 N ATOM 1248 CA LYS A 87 -3.832 -10.945 -3.210 1.00 32.94 C ATOM 1249 C LYS A 87 -3.278 -11.596 -4.465 1.00 31.02 C ATOM 1250 O LYS A 87 -2.121 -11.373 -4.824 1.00 30.94 O ATOM 1251 CB LYS A 87 -4.386 -9.568 -3.552 1.00 33.24 C ATOM 1252 CG LYS A 87 -5.170 -8.926 -2.430 1.00 37.40 C ATOM 1253 CD LYS A 87 -5.567 -7.508 -2.791 1.00 40.69 C ATOM 1254 CE LYS A 87 -6.158 -6.782 -1.590 1.00 51.63 C ATOM 1255 NZ LYS A 87 -6.948 -5.593 -2.025 1.00 58.83 N ATOM 1256 HA LYS A 87 -4.636 -11.562 -2.810 1.00 0.00 H ATOM 1257 HB2 LYS A 87 -3.551 -8.915 -3.805 1.00 0.00 H ATOM 1258 HB3 LYS A 87 -5.042 -9.667 -4.417 1.00 0.00 H ATOM 1259 HG2 LYS A 87 -6.070 -9.512 -2.242 1.00 0.00 H ATOM 1260 HG3 LYS A 87 -4.555 -8.907 -1.530 1.00 0.00 H ATOM 1261 HD2 LYS A 87 -4.685 -6.968 -3.135 1.00 0.00 H ATOM 1262 HD3 LYS A 87 -6.308 -7.538 -3.590 1.00 0.00 H ATOM 1263 HE2 LYS A 87 -5.349 -6.454 -0.937 1.00 0.00 H ATOM 1264 HE3 LYS A 87 -6.810 -7.465 -1.045 1.00 0.00 H ATOM 1265 HZ1 LYS A 87 -6.329 -4.937 -2.542 1.00 0.00 H ATOM 1266 HZ2 LYS A 87 -7.723 -5.902 -2.646 1.00 0.00 H ATOM 1267 HZ3 LYS A 87 -7.341 -5.115 -1.189 1.00 0.00 H ATOM 1268 H LYS A 87 -2.011 -10.165 -2.349 1.00 0.00 H ATOM 1269 N PHE A 88 -4.121 -12.361 -5.153 1.00 32.05 N ATOM 1270 CA PHE A 88 -3.753 -13.012 -6.417 1.00 29.30 C ATOM 1271 C PHE A 88 -3.322 -11.999 -7.475 1.00 31.16 C ATOM 1272 O PHE A 88 -2.480 -12.290 -8.325 1.00 32.53 O ATOM 1273 CB PHE A 88 -4.922 -13.855 -6.946 1.00 31.17 C ATOM 1274 CG PHE A 88 -5.311 -14.994 -6.040 1.00 29.00 C ATOM 1275 CD1 PHE A 88 -4.338 -15.810 -5.470 1.00 32.06 C ATOM 1276 CD2 PHE A 88 -6.634 -15.198 -5.692 1.00 32.91 C ATOM 1277 CE1 PHE A 88 -4.692 -16.858 -4.629 1.00 28.09 C ATOM 1278 CE2 PHE A 88 -6.989 -16.216 -4.815 1.00 36.10 C ATOM 1279 CZ PHE A 88 -6.010 -17.004 -4.239 1.00 29.21 C ATOM 1280 HA PHE A 88 -2.903 -13.662 -6.211 1.00 0.00 H ATOM 1281 HB2 PHE A 88 -5.787 -13.204 -7.070 1.00 0.00 H ATOM 1282 HB3 PHE A 88 -4.638 -14.268 -7.914 1.00 0.00 H ATOM 1283 HD2 PHE A 88 -7.407 -14.553 -6.110 1.00 0.00 H ATOM 1284 HE2 PHE A 88 -8.039 -16.393 -4.581 1.00 0.00 H ATOM 1285 HZ PHE A 88 -6.277 -17.739 -3.479 1.00 0.00 H ATOM 1286 HE1 PHE A 88 -3.935 -17.560 -4.279 1.00 0.00 H ATOM 1287 HD1 PHE A 88 -3.286 -15.625 -5.686 1.00 0.00 H ATOM 1288 H PHE A 88 -5.081 -12.504 -4.780 1.00 0.00 H ATOM 1289 N ARG A 89 -3.895 -10.805 -7.402 1.00 32.91 N ATOM 1290 CA ARG A 89 -3.489 -9.689 -8.232 1.00 35.93 C ATOM 1291 C ARG A 89 -1.978 -9.485 -8.230 1.00 34.42 C ATOM 1292 O ARG A 89 -1.401 -9.072 -9.234 1.00 33.60 O ATOM 1293 CB ARG A 89 -4.190 -8.416 -7.762 1.00 39.13 C ATOM 1294 CG ARG A 89 -4.018 -7.234 -8.696 1.00 46.29 C ATOM 1295 CD ARG A 89 -4.816 -6.024 -8.215 1.00 52.06 C ATOM 1296 NE ARG A 89 -6.222 -6.158 -8.571 1.00 59.71 N ATOM 1297 CZ ARG A 89 -7.229 -6.047 -7.710 1.00 70.85 C ATOM 1298 NH1 ARG A 89 -6.992 -5.748 -6.433 1.00 68.64 N ATOM 1299 NH2 ARG A 89 -8.476 -6.246 -8.128 1.00 69.48 N ATOM 1300 HA ARG A 89 -3.782 -9.918 -9.257 1.00 0.00 H ATOM 1301 HB2 ARG A 89 -5.255 -8.626 -7.668 1.00 0.00 H ATOM 1302 HB3 ARG A 89 -3.787 -8.143 -6.786 1.00 0.00 H ATOM 1303 HG2 ARG A 89 -2.962 -6.968 -8.741 1.00 0.00 H ATOM 1304 HG3 ARG A 89 -4.363 -7.514 -9.691 1.00 0.00 H ATOM 1305 HD2 ARG A 89 -4.414 -5.123 -8.678 1.00 0.00 H ATOM 1306 HD3 ARG A 89 -4.727 -5.945 -7.132 1.00 0.00 H ATOM 1307 HE ARG A 89 -6.454 -6.354 -9.566 1.00 0.00 H ATOM 1308 HH12 ARG A 89 -7.783 -5.662 -5.763 1.00 0.00 H ATOM 1309 HH11 ARG A 89 -6.016 -5.600 -6.106 1.00 0.00 H ATOM 1310 HH22 ARG A 89 -9.268 -6.161 -7.460 1.00 0.00 H ATOM 1311 HH21 ARG A 89 -8.659 -6.487 -9.123 1.00 0.00 H ATOM 1312 H ARG A 89 -4.668 -10.664 -6.721 1.00 0.00 H ATOM 1313 N PHE A 90 -1.361 -9.662 -7.063 1.00 32.64 N ATOM 1314 CA PHE A 90 0.092 -9.644 -6.946 1.00 27.76 C ATOM 1315 C PHE A 90 0.746 -11.015 -7.138 1.00 26.63 C ATOM 1316 O PHE A 90 1.745 -11.135 -7.845 1.00 28.14 O ATOM 1317 CB PHE A 90 0.514 -9.057 -5.597 1.00 26.71 C ATOM 1318 CG PHE A 90 1.994 -8.896 -5.456 1.00 28.66 C ATOM 1319 CD1 PHE A 90 2.667 -7.925 -6.194 1.00 24.98 C ATOM 1320 CD2 PHE A 90 2.742 -9.829 -4.732 1.00 23.81 C ATOM 1321 CE1 PHE A 90 4.067 -7.840 -6.156 1.00 22.11 C ATOM 1322 CE2 PHE A 90 4.120 -9.689 -4.617 1.00 17.88 C ATOM 1323 CZ PHE A 90 4.790 -8.758 -5.414 1.00 20.17 C ATOM 1324 HA PHE A 90 0.446 -9.012 -7.760 1.00 0.00 H ATOM 1325 HB2 PHE A 90 0.047 -8.078 -5.485 1.00 0.00 H ATOM 1326 HB3 PHE A 90 0.161 -9.719 -4.806 1.00 0.00 H ATOM 1327 HD2 PHE A 90 2.241 -10.671 -4.255 1.00 0.00 H ATOM 1328 HE2 PHE A 90 4.675 -10.303 -3.908 1.00 0.00 H ATOM 1329 HZ PHE A 90 5.879 -8.754 -5.452 1.00 0.00 H ATOM 1330 HE1 PHE A 90 4.583 -7.055 -6.708 1.00 0.00 H ATOM 1331 HD1 PHE A 90 2.100 -7.224 -6.807 1.00 0.00 H ATOM 1332 H PHE A 90 -1.933 -9.818 -6.209 1.00 0.00 H ATOM 1333 N LEU A 91 0.256 -12.015 -6.415 1.00 25.48 N ATOM 1334 CA LEU A 91 0.833 -13.360 -6.435 1.00 25.63 C ATOM 1335 C LEU A 91 0.884 -13.963 -7.845 1.00 27.48 C ATOM 1336 O LEU A 91 1.769 -14.784 -8.146 1.00 24.46 O ATOM 1337 CB LEU A 91 -0.009 -14.288 -5.559 1.00 29.13 C ATOM 1338 CG LEU A 91 0.198 -14.495 -4.061 1.00 28.39 C ATOM 1339 CD1 LEU A 91 1.467 -13.902 -3.463 1.00 23.38 C ATOM 1340 CD2 LEU A 91 -1.037 -14.108 -3.297 1.00 22.50 C ATOM 1341 HA LEU A 91 1.854 -13.269 -6.063 1.00 0.00 H ATOM 1342 HB2 LEU A 91 -1.036 -13.939 -5.666 1.00 0.00 H ATOM 1343 HB3 LEU A 91 0.086 -15.277 -6.006 1.00 0.00 H ATOM 1344 HG LEU A 91 0.368 -15.566 -3.951 1.00 0.00 H ATOM 1345 HD21 LEU A 91 -1.262 -13.057 -3.481 1.00 0.00 H ATOM 1346 HD22 LEU A 91 -1.874 -14.723 -3.626 1.00 0.00 H ATOM 1347 HD23 LEU A 91 -0.867 -14.264 -2.232 1.00 0.00 H ATOM 1348 HD11 LEU A 91 2.337 -14.344 -3.949 1.00 0.00 H ATOM 1349 HD12 LEU A 91 1.471 -12.823 -3.619 1.00 0.00 H ATOM 1350 HD13 LEU A 91 1.498 -14.116 -2.395 1.00 0.00 H ATOM 1351 H LEU A 91 -0.571 -11.835 -5.810 1.00 0.00 H ATOM 1352 N ASN A 92 -0.148 -13.686 -8.648 1.00 27.33 N ATOM 1353 CA ASN A 92 -0.152 -14.101 -10.059 1.00 28.00 C ATOM 1354 C ASN A 92 1.084 -13.641 -10.827 1.00 26.28 C ATOM 1355 O ASN A 92 1.512 -14.310 -11.763 1.00 26.13 O ATOM 1356 CB ASN A 92 -1.418 -13.630 -10.795 1.00 29.01 C ATOM 1357 CG ASN A 92 -2.660 -14.415 -10.398 1.00 29.84 C ATOM 1358 OD1 ASN A 92 -2.580 -15.413 -9.678 1.00 30.07 O ATOM 1359 ND2 ASN A 92 -3.818 -13.908 -10.783 1.00 30.50 N ATOM 1360 HA ASN A 92 -0.139 -15.191 -10.032 1.00 0.00 H ATOM 1361 HB2 ASN A 92 -1.583 -12.577 -10.565 1.00 0.00 H ATOM 1362 HB3 ASN A 92 -1.261 -13.746 -11.867 1.00 0.00 H ATOM 1363 HD22 ASN A 92 -3.840 -13.064 -11.391 1.00 0.00 H ATOM 1364 HD21 ASN A 92 -4.707 -14.353 -10.478 1.00 0.00 H ATOM 1365 H ASN A 92 -0.965 -13.167 -8.267 1.00 0.00 H ATOM 1366 N GLU A 93 1.558 -12.435 -10.531 1.00 24.24 N ATOM 1367 CA GLU A 93 2.742 -11.916 -11.195 1.00 24.91 C ATOM 1368 C GLU A 93 4.009 -12.726 -10.821 1.00 25.69 C ATOM 1369 O GLU A 93 4.896 -12.948 -11.661 1.00 26.85 O ATOM 1370 CB GLU A 93 2.931 -10.418 -10.885 1.00 23.77 C ATOM 1371 CG GLU A 93 1.716 -9.532 -11.202 1.00 29.39 C ATOM 1372 CD GLU A 93 1.241 -9.648 -12.662 1.00 40.91 C ATOM 1373 OE1 GLU A 93 0.054 -9.970 -12.889 1.00 49.24 O ATOM 1374 OE2 GLU A 93 2.086 -9.604 -13.575 1.00 36.83 O ATOM 1375 HA GLU A 93 2.592 -12.026 -12.269 1.00 0.00 H ATOM 1376 HB2 GLU A 93 3.155 -10.318 -9.823 1.00 0.00 H ATOM 1377 HB3 GLU A 93 3.776 -10.055 -11.470 1.00 0.00 H ATOM 1378 HG2 GLU A 93 0.895 -9.823 -10.547 1.00 0.00 H ATOM 1379 HG3 GLU A 93 1.984 -8.494 -11.007 1.00 0.00 H ATOM 1380 H GLU A 93 1.075 -11.855 -9.815 1.00 0.00 H ATOM 1381 N LEU A 94 4.040 -13.238 -9.595 1.00 20.78 N ATOM 1382 CA LEU A 94 5.098 -14.143 -9.153 1.00 21.01 C ATOM 1383 C LEU A 94 4.994 -15.505 -9.829 1.00 20.35 C ATOM 1384 O LEU A 94 6.002 -16.138 -10.114 1.00 23.33 O ATOM 1385 CB LEU A 94 5.036 -14.306 -7.626 1.00 16.44 C ATOM 1386 CG LEU A 94 5.171 -13.001 -6.837 1.00 22.01 C ATOM 1387 CD1 LEU A 94 5.070 -13.236 -5.310 1.00 18.38 C ATOM 1388 CD2 LEU A 94 6.501 -12.321 -7.211 1.00 14.64 C ATOM 1389 HA LEU A 94 6.055 -13.706 -9.437 1.00 0.00 H ATOM 1390 HB2 LEU A 94 4.078 -14.759 -7.371 1.00 0.00 H ATOM 1391 HB3 LEU A 94 5.844 -14.972 -7.322 1.00 0.00 H ATOM 1392 HG LEU A 94 4.342 -12.345 -7.103 1.00 0.00 H ATOM 1393 HD21 LEU A 94 7.329 -12.986 -6.966 1.00 0.00 H ATOM 1394 HD22 LEU A 94 6.510 -12.107 -8.280 1.00 0.00 H ATOM 1395 HD23 LEU A 94 6.602 -11.391 -6.652 1.00 0.00 H ATOM 1396 HD11 LEU A 94 4.102 -13.679 -5.075 1.00 0.00 H ATOM 1397 HD12 LEU A 94 5.866 -13.910 -4.994 1.00 0.00 H ATOM 1398 HD13 LEU A 94 5.171 -12.284 -4.790 1.00 0.00 H ATOM 1399 H LEU A 94 3.284 -12.985 -8.927 1.00 0.00 H ATOM 1400 N ILE A 95 3.774 -16.033 -9.865 1.00 24.57 N ATOM 1401 CA ILE A 95 3.478 -17.304 -10.499 1.00 24.34 C ATOM 1402 C ILE A 95 3.884 -17.270 -11.966 1.00 27.77 C ATOM 1403 O ILE A 95 4.510 -18.200 -12.460 1.00 30.66 O ATOM 1404 CB ILE A 95 1.973 -17.651 -10.379 1.00 26.31 C ATOM 1405 CG1 ILE A 95 1.636 -18.096 -8.953 1.00 24.80 C ATOM 1406 CG2 ILE A 95 1.565 -18.743 -11.388 1.00 19.29 C ATOM 1407 CD1 ILE A 95 0.175 -18.183 -8.699 1.00 20.61 C ATOM 1408 HA ILE A 95 4.051 -18.076 -9.985 1.00 0.00 H ATOM 1409 HB ILE A 95 1.406 -16.749 -10.611 1.00 0.00 H ATOM 1410 HG12 ILE A 95 2.077 -19.078 -8.783 1.00 0.00 H ATOM 1411 HG13 ILE A 95 2.068 -17.379 -8.255 1.00 0.00 H ATOM 1412 HD11 ILE A 95 -0.279 -17.204 -8.856 1.00 0.00 H ATOM 1413 HD12 ILE A 95 -0.269 -18.905 -9.384 1.00 0.00 H ATOM 1414 HD13 ILE A 95 0.005 -18.503 -7.671 1.00 0.00 H ATOM 1415 HG21 ILE A 95 1.760 -18.391 -12.401 1.00 0.00 H ATOM 1416 HG22 ILE A 95 2.145 -19.646 -11.198 1.00 0.00 H ATOM 1417 HG23 ILE A 95 0.503 -18.961 -11.276 1.00 0.00 H ATOM 1418 H ILE A 95 2.995 -15.510 -9.417 1.00 0.00 H ATOM 1419 N LYS A 96 3.613 -16.152 -12.632 1.00 27.91 N ATOM 1420 CA LYS A 96 4.085 -15.956 -14.003 1.00 27.69 C ATOM 1421 C LYS A 96 5.592 -16.126 -14.142 1.00 26.73 C ATOM 1422 O LYS A 96 6.072 -16.663 -15.130 1.00 28.40 O ATOM 1423 CB LYS A 96 3.677 -14.580 -14.513 1.00 26.07 C ATOM 1424 CG LYS A 96 2.244 -14.490 -14.962 1.00 25.32 C ATOM 1425 CD LYS A 96 1.899 -13.049 -15.244 1.00 30.00 C ATOM 1426 CE LYS A 96 0.441 -12.889 -15.626 1.00 31.42 C ATOM 1427 NZ LYS A 96 0.053 -11.454 -15.592 1.00 33.98 N ATOM 1428 HA LYS A 96 3.614 -16.732 -14.606 1.00 0.00 H ATOM 1429 HB2 LYS A 96 3.830 -13.858 -13.711 1.00 0.00 H ATOM 1430 HB3 LYS A 96 4.317 -14.324 -15.357 1.00 0.00 H ATOM 1431 HG2 LYS A 96 2.108 -15.081 -15.868 1.00 0.00 H ATOM 1432 HG3 LYS A 96 1.592 -14.874 -14.178 1.00 0.00 H ATOM 1433 HD2 LYS A 96 2.098 -12.456 -14.351 1.00 0.00 H ATOM 1434 HD3 LYS A 96 2.521 -12.690 -16.064 1.00 0.00 H ATOM 1435 HE2 LYS A 96 -0.178 -13.446 -14.923 1.00 0.00 H ATOM 1436 HE3 LYS A 96 0.288 -13.280 -16.632 1.00 0.00 H ATOM 1437 HZ1 LYS A 96 0.196 -11.080 -14.632 1.00 0.00 H ATOM 1438 HZ2 LYS A 96 0.641 -10.921 -16.264 1.00 0.00 H ATOM 1439 HZ3 LYS A 96 -0.949 -11.361 -15.856 1.00 0.00 H ATOM 1440 H LYS A 96 3.056 -15.404 -12.171 1.00 0.00 H ATOM 1441 N VAL A 97 6.337 -15.594 -13.181 1.00 26.51 N ATOM 1442 CA VAL A 97 7.799 -15.675 -13.190 1.00 25.38 C ATOM 1443 C VAL A 97 8.359 -17.086 -12.993 1.00 23.45 C ATOM 1444 O VAL A 97 9.368 -17.442 -13.589 1.00 23.57 O ATOM 1445 CB VAL A 97 8.416 -14.706 -12.148 1.00 24.02 C ATOM 1446 CG1 VAL A 97 9.949 -14.837 -12.126 1.00 25.63 C ATOM 1447 CG2 VAL A 97 7.991 -13.279 -12.453 1.00 18.45 C ATOM 1448 HA VAL A 97 8.092 -15.374 -14.196 1.00 0.00 H ATOM 1449 HB VAL A 97 8.048 -14.970 -11.157 1.00 0.00 H ATOM 1450 HG11 VAL A 97 10.221 -15.859 -11.863 1.00 0.00 H ATOM 1451 HG12 VAL A 97 10.347 -14.596 -13.112 1.00 0.00 H ATOM 1452 HG13 VAL A 97 10.361 -14.148 -11.388 1.00 0.00 H ATOM 1453 HG21 VAL A 97 8.336 -13.004 -13.449 1.00 0.00 H ATOM 1454 HG22 VAL A 97 6.904 -13.208 -12.411 1.00 0.00 H ATOM 1455 HG23 VAL A 97 8.429 -12.606 -11.716 1.00 0.00 H ATOM 1456 H VAL A 97 5.866 -15.103 -12.395 1.00 0.00 H ATOM 1457 N VAL A 98 7.719 -17.884 -12.148 1.00 26.31 N ATOM 1458 CA VAL A 98 8.298 -19.173 -11.757 1.00 28.51 C ATOM 1459 C VAL A 98 7.801 -20.352 -12.585 1.00 29.86 C ATOM 1460 O VAL A 98 8.307 -21.455 -12.451 1.00 32.94 O ATOM 1461 CB VAL A 98 8.121 -19.494 -10.253 1.00 27.69 C ATOM 1462 CG1 VAL A 98 8.801 -18.431 -9.388 1.00 28.54 C ATOM 1463 CG2 VAL A 98 6.648 -19.663 -9.893 1.00 24.91 C ATOM 1464 HA VAL A 98 9.361 -19.043 -11.963 1.00 0.00 H ATOM 1465 HB VAL A 98 8.610 -20.446 -10.048 1.00 0.00 H ATOM 1466 HG11 VAL A 98 9.866 -18.403 -9.619 1.00 0.00 H ATOM 1467 HG12 VAL A 98 8.357 -17.457 -9.595 1.00 0.00 H ATOM 1468 HG13 VAL A 98 8.663 -18.678 -8.335 1.00 0.00 H ATOM 1469 HG21 VAL A 98 6.112 -18.741 -10.117 1.00 0.00 H ATOM 1470 HG22 VAL A 98 6.225 -20.481 -10.475 1.00 0.00 H ATOM 1471 HG23 VAL A 98 6.559 -19.888 -8.830 1.00 0.00 H ATOM 1472 H VAL A 98 6.799 -17.593 -11.760 1.00 0.00 H ATOM 1473 N SER A 99 6.782 -20.125 -13.399 1.00 30.66 N ATOM 1474 CA SER A 99 6.074 -21.216 -14.063 1.00 33.64 C ATOM 1475 C SER A 99 6.408 -21.287 -15.564 1.00 35.18 C ATOM 1476 O SER A 99 6.430 -20.263 -16.238 1.00 31.40 O ATOM 1477 CB SER A 99 4.573 -21.069 -13.840 1.00 33.10 C ATOM 1478 OG SER A 99 3.846 -21.948 -14.680 1.00 43.21 O ATOM 1479 HA SER A 99 6.407 -22.156 -13.622 1.00 0.00 H ATOM 1480 HB2 SER A 99 4.279 -20.042 -14.058 1.00 0.00 H ATOM 1481 HB3 SER A 99 4.343 -21.298 -12.800 1.00 0.00 H ATOM 1482 HG SER A 99 2.876 -21.833 -14.516 1.00 0.00 H ATOM 1483 H SER A 99 6.478 -19.145 -13.570 1.00 0.00 H ATOM 1484 N PRO A 100 6.854 -22.470 -16.030 1.00 39.42 N ATOM 1485 CA PRO A 100 7.191 -22.784 -17.436 1.00 42.30 C ATOM 1486 C PRO A 100 6.095 -22.374 -18.415 1.00 45.33 C ATOM 1487 O PRO A 100 6.392 -21.950 -19.533 1.00 46.60 O ATOM 1488 CB PRO A 100 7.296 -24.312 -17.438 1.00 41.19 C ATOM 1489 CG PRO A 100 7.699 -24.664 -16.045 1.00 45.19 C ATOM 1490 CD PRO A 100 7.106 -23.613 -15.129 1.00 36.33 C ATOM 1491 HA PRO A 100 8.090 -22.255 -17.751 1.00 0.00 H ATOM 1492 HD3 PRO A 100 6.178 -23.967 -14.679 1.00 0.00 H ATOM 1493 HD2 PRO A 100 7.809 -23.341 -14.342 1.00 0.00 H ATOM 1494 HG3 PRO A 100 8.786 -24.665 -15.959 1.00 0.00 H ATOM 1495 HG2 PRO A 100 7.314 -25.649 -15.782 1.00 0.00 H ATOM 1496 HB2 PRO A 100 6.336 -24.764 -17.687 1.00 0.00 H ATOM 1497 HB3 PRO A 100 8.049 -24.645 -18.152 1.00 0.00 H ATOM 1498 N LYS A 101 4.851 -22.686 -18.061 1.00 53.50 N ATOM 1499 CA LYS A 101 3.673 -22.186 -18.769 1.00 55.18 C ATOM 1500 C LYS A 101 3.783 -20.715 -19.177 1.00 54.34 C ATOM 1501 O LYS A 101 3.200 -20.309 -20.181 1.00 55.74 O ATOM 1502 CB LYS A 101 2.424 -22.391 -17.910 1.00 56.63 C ATOM 1503 CG LYS A 101 1.342 -23.240 -18.552 1.00 67.68 C ATOM 1504 CD LYS A 101 0.580 -24.042 -17.498 1.00 74.83 C ATOM 1505 CE LYS A 101 -0.816 -23.474 -17.271 1.00 83.70 C ATOM 1506 NZ LYS A 101 -1.772 -23.822 -18.372 1.00 83.64 N ATOM 1507 HA LYS A 101 3.601 -22.761 -19.692 1.00 0.00 H ATOM 1508 HB2 LYS A 101 2.727 -22.873 -16.981 1.00 0.00 H ATOM 1509 HB3 LYS A 101 2.000 -21.412 -17.688 1.00 0.00 H ATOM 1510 HG2 LYS A 101 0.644 -22.590 -19.080 1.00 0.00 H ATOM 1511 HG3 LYS A 101 1.802 -23.928 -19.261 1.00 0.00 H ATOM 1512 HD2 LYS A 101 0.493 -25.076 -17.833 1.00 0.00 H ATOM 1513 HD3 LYS A 101 1.133 -24.011 -16.559 1.00 0.00 H ATOM 1514 HE2 LYS A 101 -0.744 -22.389 -17.203 1.00 0.00 H ATOM 1515 HE3 LYS A 101 -1.205 -23.871 -16.333 1.00 0.00 H ATOM 1516 HZ1 LYS A 101 -1.416 -23.441 -19.272 1.00 0.00 H ATOM 1517 HZ2 LYS A 101 -1.857 -24.856 -18.442 1.00 0.00 H ATOM 1518 HZ3 LYS A 101 -2.704 -23.410 -18.164 1.00 0.00 H ATOM 1519 H LYS A 101 4.710 -23.314 -17.244 1.00 0.00 H ATOM 1520 N TYR A 102 4.404 -19.898 -18.324 1.00 47.98 N ATOM 1521 CA TYR A 102 4.500 -18.456 -18.560 1.00 46.67 C ATOM 1522 C TYR A 102 5.928 -17.943 -18.806 1.00 43.51 C ATOM 1523 O TYR A 102 6.409 -17.980 -19.932 1.00 45.24 O ATOM 1524 CB TYR A 102 3.793 -17.665 -17.453 1.00 44.96 C ATOM 1525 CG TYR A 102 2.414 -18.191 -17.158 1.00 47.28 C ATOM 1526 CD1 TYR A 102 2.205 -19.080 -16.112 1.00 52.76 C ATOM 1527 CD2 TYR A 102 1.370 -17.974 -18.047 1.00 55.64 C ATOM 1528 CE1 TYR A 102 0.975 -19.684 -15.917 1.00 49.05 C ATOM 1529 CE2 TYR A 102 0.124 -18.558 -17.851 1.00 54.60 C ATOM 1530 CZ TYR A 102 -0.063 -19.419 -16.787 1.00 53.42 C ATOM 1531 OH TYR A 102 -1.294 -20.010 -16.587 1.00 58.09 O ATOM 1532 HA TYR A 102 3.977 -18.280 -19.500 1.00 0.00 H ATOM 1533 HB3 TYR A 102 3.711 -16.624 -17.765 1.00 0.00 H ATOM 1534 HB2 TYR A 102 4.392 -17.724 -16.544 1.00 0.00 H ATOM 1535 HD2 TYR A 102 1.530 -17.334 -18.915 1.00 0.00 H ATOM 1536 HE2 TYR A 102 -0.699 -18.338 -18.531 1.00 0.00 H ATOM 1537 HE1 TYR A 102 0.827 -20.366 -15.080 1.00 0.00 H ATOM 1538 HD1 TYR A 102 3.026 -19.307 -15.431 1.00 0.00 H ATOM 1539 HH TYR A 102 -1.253 -20.592 -15.787 1.00 0.00 H ATOM 1540 H TYR A 102 4.833 -20.298 -17.465 1.00 0.00 H ATOM 1541 N LEU A 103 6.521 -17.297 -17.810 1.00 34.88 N ATOM 1542 CA LEU A 103 7.818 -16.661 -18.008 1.00 33.93 C ATOM 1543 C LEU A 103 8.957 -17.575 -17.564 1.00 32.51 C ATOM 1544 O LEU A 103 10.127 -17.233 -17.716 1.00 32.94 O ATOM 1545 CB LEU A 103 7.912 -15.322 -17.270 1.00 30.83 C ATOM 1546 CG LEU A 103 6.864 -14.238 -17.542 1.00 42.51 C ATOM 1547 CD1 LEU A 103 7.167 -12.970 -16.706 1.00 31.99 C ATOM 1548 CD2 LEU A 103 6.749 -13.902 -19.048 1.00 36.76 C ATOM 1549 HA LEU A 103 7.914 -16.472 -19.077 1.00 0.00 H ATOM 1550 HB2 LEU A 103 7.871 -15.543 -16.204 1.00 0.00 H ATOM 1551 HB3 LEU A 103 8.884 -14.893 -17.513 1.00 0.00 H ATOM 1552 HG LEU A 103 5.896 -14.633 -17.234 1.00 0.00 H ATOM 1553 HD21 LEU A 103 7.711 -13.543 -19.413 1.00 0.00 H ATOM 1554 HD22 LEU A 103 6.461 -14.798 -19.598 1.00 0.00 H ATOM 1555 HD23 LEU A 103 5.994 -13.129 -19.190 1.00 0.00 H ATOM 1556 HD11 LEU A 103 7.150 -13.223 -15.646 1.00 0.00 H ATOM 1557 HD12 LEU A 103 8.152 -12.587 -16.973 1.00 0.00 H ATOM 1558 HD13 LEU A 103 6.412 -12.211 -16.912 1.00 0.00 H ATOM 1559 H LEU A 103 6.057 -17.244 -16.881 1.00 0.00 H ATOM 1560 N GLY A 104 8.613 -18.689 -16.933 1.00 30.30 N ATOM 1561 CA GLY A 104 9.595 -19.492 -16.228 1.00 32.30 C ATOM 1562 C GLY A 104 10.793 -19.846 -17.085 1.00 35.97 C ATOM 1563 O GLY A 104 11.925 -19.849 -16.599 1.00 36.05 O ATOM 1564 HA3 GLY A 104 9.118 -20.415 -15.899 1.00 0.00 H ATOM 1565 HA2 GLY A 104 9.942 -18.933 -15.359 1.00 0.00 H ATOM 1566 H GLY A 104 7.619 -18.994 -16.943 1.00 0.00 H ATOM 1567 N SER A 105 10.542 -20.120 -18.367 1.00 36.59 N ATOM 1568 CA SER A 105 11.563 -20.621 -19.299 1.00 39.76 C ATOM 1569 C SER A 105 12.681 -19.633 -19.608 1.00 38.72 C ATOM 1570 O SER A 105 13.769 -20.033 -19.995 1.00 38.85 O ATOM 1571 CB SER A 105 10.918 -21.047 -20.620 1.00 41.18 C ATOM 1572 OG SER A 105 10.406 -22.358 -20.507 1.00 53.40 O ATOM 1573 HA SER A 105 12.018 -21.467 -18.785 1.00 0.00 H ATOM 1574 HB2 SER A 105 11.665 -21.018 -21.413 1.00 0.00 H ATOM 1575 HB3 SER A 105 10.106 -20.362 -20.863 1.00 0.00 H ATOM 1576 HG SER A 105 9.991 -22.624 -21.366 1.00 0.00 H ATOM 1577 H SER A 105 9.577 -19.972 -18.724 1.00 0.00 H ATOM 1578 N ARG A 106 12.392 -18.340 -19.537 1.00 48.87 N ATOM 1579 CA ARG A 106 13.437 -17.345 -19.756 1.00 51.98 C ATOM 1580 C ARG A 106 13.914 -16.588 -18.510 1.00 50.01 C ATOM 1581 O ARG A 106 14.675 -15.633 -18.626 1.00 52.36 O ATOM 1582 CB ARG A 106 13.032 -16.370 -20.853 1.00 55.66 C ATOM 1583 CG ARG A 106 11.695 -15.692 -20.622 1.00 59.87 C ATOM 1584 CD ARG A 106 11.442 -14.674 -21.721 1.00 66.83 C ATOM 1585 NE ARG A 106 10.105 -14.094 -21.646 1.00 69.67 N ATOM 1586 CZ ARG A 106 8.993 -14.734 -21.994 1.00 72.45 C ATOM 1587 NH1 ARG A 106 9.041 -16.012 -22.369 1.00 65.39 N ATOM 1588 NH2 ARG A 106 7.831 -14.092 -21.970 1.00 68.94 N ATOM 1589 HA ARG A 106 14.303 -17.929 -20.068 1.00 0.00 H ATOM 1590 HB2 ARG A 106 13.799 -15.598 -20.925 1.00 0.00 H ATOM 1591 HB3 ARG A 106 12.980 -16.917 -21.794 1.00 0.00 H ATOM 1592 HG2 ARG A 106 10.902 -16.440 -20.631 1.00 0.00 H ATOM 1593 HG3 ARG A 106 11.706 -15.188 -19.656 1.00 0.00 H ATOM 1594 HD2 ARG A 106 11.557 -15.166 -22.687 1.00 0.00 H ATOM 1595 HD3 ARG A 106 12.176 -13.873 -21.633 1.00 0.00 H ATOM 1596 HE ARG A 106 10.016 -13.118 -21.298 1.00 0.00 H ATOM 1597 HH12 ARG A 106 8.168 -16.508 -22.640 1.00 0.00 H ATOM 1598 HH11 ARG A 106 9.952 -16.514 -22.390 1.00 0.00 H ATOM 1599 HH22 ARG A 106 6.958 -14.587 -22.241 1.00 0.00 H ATOM 1600 HH21 ARG A 106 7.794 -13.094 -21.680 1.00 0.00 H ATOM 1601 H ARG A 106 11.420 -18.035 -19.325 1.00 0.00 H ATOM 1602 N THR A 107 13.519 -17.059 -17.329 1.00 40.77 N ATOM 1603 CA THR A 107 13.983 -16.500 -16.056 1.00 36.67 C ATOM 1604 C THR A 107 15.050 -17.409 -15.462 1.00 34.63 C ATOM 1605 O THR A 107 14.901 -18.628 -15.485 1.00 35.38 O ATOM 1606 CB THR A 107 12.812 -16.423 -15.051 1.00 35.78 C ATOM 1607 OG1 THR A 107 11.673 -15.852 -15.701 1.00 34.60 O ATOM 1608 CG2 THR A 107 13.180 -15.587 -13.835 1.00 31.43 C ATOM 1609 HA THR A 107 14.384 -15.503 -16.241 1.00 0.00 H ATOM 1610 HB THR A 107 12.584 -17.432 -14.708 1.00 0.00 H ATOM 1611 HG1 THR A 107 11.415 -16.419 -16.471 1.00 0.00 H ATOM 1612 HG23 THR A 107 14.048 -16.026 -13.343 1.00 0.00 H ATOM 1613 HG21 THR A 107 13.415 -14.571 -14.152 1.00 0.00 H ATOM 1614 HG22 THR A 107 12.339 -15.567 -13.141 1.00 0.00 H ATOM 1615 H THR A 107 12.853 -17.857 -17.309 1.00 0.00 H ATOM 1616 N SER A 108 16.063 -16.821 -14.831 1.00 32.36 N ATOM 1617 CA SER A 108 17.076 -17.614 -14.129 1.00 31.88 C ATOM 1618 C SER A 108 16.503 -18.473 -12.990 1.00 32.28 C ATOM 1619 O SER A 108 15.522 -18.102 -12.327 1.00 30.55 O ATOM 1620 CB SER A 108 18.222 -16.727 -13.616 1.00 31.28 C ATOM 1621 OG SER A 108 17.791 -15.835 -12.594 1.00 28.27 O ATOM 1622 HA SER A 108 17.472 -18.309 -14.869 1.00 0.00 H ATOM 1623 HB2 SER A 108 18.616 -16.144 -14.449 1.00 0.00 H ATOM 1624 HB3 SER A 108 19.010 -17.366 -13.216 1.00 0.00 H ATOM 1625 HG SER A 108 18.557 -15.285 -12.293 1.00 0.00 H ATOM 1626 H SER A 108 16.137 -15.784 -14.836 1.00 0.00 H ATOM 1627 N GLU A 109 17.182 -19.580 -12.726 1.00 34.86 N ATOM 1628 CA GLU A 109 16.991 -20.370 -11.510 1.00 36.08 C ATOM 1629 C GLU A 109 17.100 -19.533 -10.231 1.00 34.19 C ATOM 1630 O GLU A 109 16.377 -19.766 -9.264 1.00 33.89 O ATOM 1631 CB GLU A 109 18.012 -21.507 -11.472 1.00 37.28 C ATOM 1632 CG GLU A 109 17.439 -22.891 -11.756 1.00 51.95 C ATOM 1633 CD GLU A 109 16.566 -22.918 -12.991 1.00 63.51 C ATOM 1634 OE1 GLU A 109 17.029 -22.453 -14.053 1.00 69.86 O ATOM 1635 OE2 GLU A 109 15.402 -23.364 -12.892 1.00 72.01 O ATOM 1636 HA GLU A 109 15.977 -20.769 -11.543 1.00 0.00 H ATOM 1637 HB2 GLU A 109 18.780 -21.298 -12.217 1.00 0.00 H ATOM 1638 HB3 GLU A 109 18.464 -21.524 -10.480 1.00 0.00 H ATOM 1639 HG2 GLU A 109 18.265 -23.589 -11.897 1.00 0.00 H ATOM 1640 HG3 GLU A 109 16.842 -23.204 -10.899 1.00 0.00 H ATOM 1641 H GLU A 109 17.887 -19.904 -13.419 1.00 0.00 H ATOM 1642 N LYS A 110 18.053 -18.605 -10.210 1.00 36.36 N ATOM 1643 CA LYS A 110 18.266 -17.741 -9.057 1.00 33.29 C ATOM 1644 C LYS A 110 17.005 -16.953 -8.696 1.00 31.03 C ATOM 1645 O LYS A 110 16.532 -17.008 -7.565 1.00 29.75 O ATOM 1646 CB LYS A 110 19.443 -16.793 -9.311 1.00 33.10 C ATOM 1647 CG LYS A 110 19.687 -15.790 -8.176 1.00 38.19 C ATOM 1648 CD LYS A 110 20.730 -14.738 -8.557 1.00 43.81 C ATOM 1649 CE LYS A 110 21.543 -14.329 -7.343 1.00 49.91 C ATOM 1650 NZ LYS A 110 22.308 -13.066 -7.536 1.00 56.04 N ATOM 1651 HA LYS A 110 18.505 -18.379 -8.206 1.00 0.00 H ATOM 1652 HB2 LYS A 110 20.345 -17.391 -9.441 1.00 0.00 H ATOM 1653 HB3 LYS A 110 19.244 -16.235 -10.226 1.00 0.00 H ATOM 1654 HG2 LYS A 110 18.749 -15.287 -7.942 1.00 0.00 H ATOM 1655 HG3 LYS A 110 20.037 -16.331 -7.297 1.00 0.00 H ATOM 1656 HD2 LYS A 110 21.397 -15.152 -9.313 1.00 0.00 H ATOM 1657 HD3 LYS A 110 20.224 -13.861 -8.962 1.00 0.00 H ATOM 1658 HE2 LYS A 110 22.248 -15.128 -7.115 1.00 0.00 H ATOM 1659 HE3 LYS A 110 20.863 -14.195 -6.502 1.00 0.00 H ATOM 1660 HZ1 LYS A 110 22.970 -13.181 -8.330 1.00 0.00 H ATOM 1661 HZ2 LYS A 110 21.647 -12.290 -7.744 1.00 0.00 H ATOM 1662 HZ3 LYS A 110 22.839 -12.848 -6.669 1.00 0.00 H ATOM 1663 H LYS A 110 18.665 -18.493 -11.043 1.00 0.00 H ATOM 1664 N VAL A 111 16.410 -16.306 -9.697 1.00 30.61 N ATOM 1665 CA VAL A 111 15.225 -15.487 -9.494 1.00 28.09 C ATOM 1666 C VAL A 111 14.006 -16.324 -9.086 1.00 28.39 C ATOM 1667 O VAL A 111 13.285 -15.983 -8.147 1.00 26.80 O ATOM 1668 CB VAL A 111 14.893 -14.682 -10.767 1.00 28.66 C ATOM 1669 CG1 VAL A 111 13.442 -14.202 -10.742 1.00 21.73 C ATOM 1670 CG2 VAL A 111 15.854 -13.514 -10.920 1.00 27.49 C ATOM 1671 HA VAL A 111 15.453 -14.802 -8.678 1.00 0.00 H ATOM 1672 HB VAL A 111 15.012 -15.336 -11.631 1.00 0.00 H ATOM 1673 HG11 VAL A 111 12.777 -15.064 -10.687 1.00 0.00 H ATOM 1674 HG12 VAL A 111 13.286 -13.565 -9.872 1.00 0.00 H ATOM 1675 HG13 VAL A 111 13.232 -13.637 -11.650 1.00 0.00 H ATOM 1676 HG21 VAL A 111 15.769 -12.859 -10.053 1.00 0.00 H ATOM 1677 HG22 VAL A 111 16.874 -13.892 -10.993 1.00 0.00 H ATOM 1678 HG23 VAL A 111 15.606 -12.957 -11.823 1.00 0.00 H ATOM 1679 H VAL A 111 16.806 -16.389 -10.655 1.00 0.00 H ATOM 1680 N LYS A 112 13.819 -17.450 -9.760 1.00 23.17 N ATOM 1681 CA LYS A 112 12.699 -18.322 -9.470 1.00 24.49 C ATOM 1682 C LYS A 112 12.848 -19.020 -8.109 1.00 25.60 C ATOM 1683 O LYS A 112 11.889 -19.118 -7.350 1.00 26.40 O ATOM 1684 CB LYS A 112 12.530 -19.346 -10.591 1.00 20.86 C ATOM 1685 CG LYS A 112 12.255 -18.717 -11.938 1.00 19.64 C ATOM 1686 CD LYS A 112 12.083 -19.780 -13.035 1.00 25.01 C ATOM 1687 CE LYS A 112 13.393 -20.500 -13.278 1.00 30.10 C ATOM 1688 NZ LYS A 112 13.346 -21.330 -14.499 1.00 40.19 N ATOM 1689 HA LYS A 112 11.802 -17.705 -9.413 1.00 0.00 H ATOM 1690 HB2 LYS A 112 13.445 -19.934 -10.664 1.00 0.00 H ATOM 1691 HB3 LYS A 112 11.697 -20.002 -10.338 1.00 0.00 H ATOM 1692 HG2 LYS A 112 11.342 -18.125 -11.872 1.00 0.00 H ATOM 1693 HG3 LYS A 112 13.089 -18.067 -12.202 1.00 0.00 H ATOM 1694 HD2 LYS A 112 11.328 -20.501 -12.722 1.00 0.00 H ATOM 1695 HD3 LYS A 112 11.761 -19.297 -13.957 1.00 0.00 H ATOM 1696 HE2 LYS A 112 13.607 -21.142 -12.423 1.00 0.00 H ATOM 1697 HE3 LYS A 112 14.187 -19.761 -13.384 1.00 0.00 H ATOM 1698 HZ1 LYS A 112 12.594 -22.043 -14.404 1.00 0.00 H ATOM 1699 HZ2 LYS A 112 13.149 -20.724 -15.321 1.00 0.00 H ATOM 1700 HZ3 LYS A 112 14.262 -21.806 -14.629 1.00 0.00 H ATOM 1701 H LYS A 112 14.489 -17.712 -10.511 1.00 0.00 H ATOM 1702 N ASN A 113 14.053 -19.470 -7.782 1.00 25.39 N ATOM 1703 CA ASN A 113 14.287 -20.081 -6.480 1.00 24.22 C ATOM 1704 C ASN A 113 14.102 -19.050 -5.350 1.00 23.67 C ATOM 1705 O ASN A 113 13.582 -19.368 -4.288 1.00 25.41 O ATOM 1706 CB ASN A 113 15.687 -20.713 -6.417 1.00 25.91 C ATOM 1707 CG ASN A 113 15.794 -22.038 -7.207 1.00 30.36 C ATOM 1708 OD1 ASN A 113 16.876 -22.627 -7.304 1.00 32.34 O ATOM 1709 ND2 ASN A 113 14.713 -22.438 -7.853 1.00 22.81 N ATOM 1710 HA ASN A 113 13.551 -20.873 -6.341 1.00 0.00 H ATOM 1711 HB2 ASN A 113 16.406 -20.005 -6.829 1.00 0.00 H ATOM 1712 HB3 ASN A 113 15.931 -20.911 -5.373 1.00 0.00 H ATOM 1713 HD22 ASN A 113 13.820 -21.916 -7.746 1.00 0.00 H ATOM 1714 HD21 ASN A 113 14.755 -23.275 -8.469 1.00 0.00 H ATOM 1715 H ASN A 113 14.837 -19.386 -8.461 1.00 0.00 H ATOM 1716 N LYS A 114 14.476 -17.800 -5.606 1.00 25.75 N ATOM 1717 CA LYS A 114 14.315 -16.743 -4.614 1.00 25.38 C ATOM 1718 C LYS A 114 12.840 -16.524 -4.313 1.00 24.60 C ATOM 1719 O LYS A 114 12.430 -16.501 -3.160 1.00 24.38 O ATOM 1720 CB LYS A 114 14.960 -15.438 -5.095 1.00 24.30 C ATOM 1721 CG LYS A 114 14.909 -14.302 -4.077 1.00 27.85 C ATOM 1722 CD LYS A 114 15.392 -14.772 -2.705 1.00 40.99 C ATOM 1723 CE LYS A 114 15.758 -13.608 -1.784 1.00 44.71 C ATOM 1724 NZ LYS A 114 16.542 -14.089 -0.609 1.00 48.34 N ATOM 1725 HA LYS A 114 14.819 -17.054 -3.699 1.00 0.00 H ATOM 1726 HB2 LYS A 114 16.005 -15.640 -5.331 1.00 0.00 H ATOM 1727 HB3 LYS A 114 14.442 -15.112 -5.997 1.00 0.00 H ATOM 1728 HG2 LYS A 114 15.547 -13.487 -4.420 1.00 0.00 H ATOM 1729 HG3 LYS A 114 13.882 -13.946 -3.991 1.00 0.00 H ATOM 1730 HD2 LYS A 114 14.599 -15.354 -2.235 1.00 0.00 H ATOM 1731 HD3 LYS A 114 16.272 -15.401 -2.840 1.00 0.00 H ATOM 1732 HE2 LYS A 114 14.844 -13.129 -1.433 1.00 0.00 H ATOM 1733 HE3 LYS A 114 16.355 -12.885 -2.341 1.00 0.00 H ATOM 1734 HZ1 LYS A 114 15.974 -14.776 -0.073 1.00 0.00 H ATOM 1735 HZ2 LYS A 114 17.417 -14.543 -0.940 1.00 0.00 H ATOM 1736 HZ3 LYS A 114 16.779 -13.282 0.002 1.00 0.00 H ATOM 1737 H LYS A 114 14.891 -17.572 -6.532 1.00 0.00 H ATOM 1738 N ILE A 115 12.036 -16.454 -5.364 1.00 25.04 N ATOM 1739 CA ILE A 115 10.599 -16.287 -5.219 1.00 25.51 C ATOM 1740 C ILE A 115 9.960 -17.430 -4.451 1.00 23.72 C ATOM 1741 O ILE A 115 9.118 -17.191 -3.594 1.00 24.73 O ATOM 1742 CB ILE A 115 9.902 -16.159 -6.600 1.00 24.81 C ATOM 1743 CG1 ILE A 115 10.260 -14.814 -7.232 1.00 24.60 C ATOM 1744 CG2 ILE A 115 8.381 -16.309 -6.457 1.00 18.33 C ATOM 1745 CD1 ILE A 115 9.857 -14.684 -8.701 1.00 22.95 C ATOM 1746 HA ILE A 115 10.460 -15.366 -4.652 1.00 0.00 H ATOM 1747 HB ILE A 115 10.254 -16.959 -7.251 1.00 0.00 H ATOM 1748 HG12 ILE A 115 9.758 -14.027 -6.669 1.00 0.00 H ATOM 1749 HG13 ILE A 115 11.339 -14.679 -7.160 1.00 0.00 H ATOM 1750 HD11 ILE A 115 10.360 -15.456 -9.284 1.00 0.00 H ATOM 1751 HD12 ILE A 115 8.777 -14.803 -8.792 1.00 0.00 H ATOM 1752 HD13 ILE A 115 10.148 -13.701 -9.070 1.00 0.00 H ATOM 1753 HG21 ILE A 115 8.152 -17.288 -6.036 1.00 0.00 H ATOM 1754 HG22 ILE A 115 8.001 -15.530 -5.797 1.00 0.00 H ATOM 1755 HG23 ILE A 115 7.914 -16.216 -7.438 1.00 0.00 H ATOM 1756 H ILE A 115 12.444 -16.520 -6.318 1.00 0.00 H ATOM 1757 N LEU A 116 10.284 -18.663 -4.836 1.00 24.88 N ATOM 1758 CA LEU A 116 9.771 -19.864 -4.160 1.00 29.19 C ATOM 1759 C LEU A 116 10.121 -19.880 -2.677 1.00 28.30 C ATOM 1760 O LEU A 116 9.306 -20.250 -1.836 1.00 31.06 O ATOM 1761 CB LEU A 116 10.291 -21.144 -4.840 1.00 31.37 C ATOM 1762 CG LEU A 116 9.723 -21.376 -6.244 1.00 32.94 C ATOM 1763 CD1 LEU A 116 10.516 -22.424 -7.012 1.00 36.91 C ATOM 1764 CD2 LEU A 116 8.242 -21.755 -6.169 1.00 35.53 C ATOM 1765 HA LEU A 116 8.685 -19.834 -4.245 1.00 0.00 H ATOM 1766 HB2 LEU A 116 11.376 -21.076 -4.915 1.00 0.00 H ATOM 1767 HB3 LEU A 116 10.024 -21.997 -4.216 1.00 0.00 H ATOM 1768 HG LEU A 116 9.814 -20.439 -6.794 1.00 0.00 H ATOM 1769 HD21 LEU A 116 8.131 -22.670 -5.587 1.00 0.00 H ATOM 1770 HD22 LEU A 116 7.686 -20.949 -5.691 1.00 0.00 H ATOM 1771 HD23 LEU A 116 7.858 -21.915 -7.176 1.00 0.00 H ATOM 1772 HD11 LEU A 116 11.550 -22.094 -7.112 1.00 0.00 H ATOM 1773 HD12 LEU A 116 10.486 -23.370 -6.471 1.00 0.00 H ATOM 1774 HD13 LEU A 116 10.078 -22.556 -8.001 1.00 0.00 H ATOM 1775 H LEU A 116 10.925 -18.781 -5.646 1.00 0.00 H ATOM 1776 N GLU A 117 11.331 -19.446 -2.367 1.00 30.02 N ATOM 1777 CA GLU A 117 11.782 -19.314 -1.000 1.00 28.42 C ATOM 1778 C GLU A 117 10.919 -18.306 -0.235 1.00 31.47 C ATOM 1779 O GLU A 117 10.514 -18.548 0.931 1.00 28.53 O ATOM 1780 CB GLU A 117 13.228 -18.838 -1.017 1.00 30.06 C ATOM 1781 CG GLU A 117 14.143 -19.592 -0.106 1.00 39.87 C ATOM 1782 CD GLU A 117 14.346 -18.899 1.225 1.00 53.73 C ATOM 1783 OE1 GLU A 117 13.794 -19.415 2.232 1.00 65.12 O ATOM 1784 OE2 GLU A 117 15.190 -17.966 1.292 1.00 42.74 O ATOM 1785 HA GLU A 117 11.700 -20.278 -0.498 1.00 0.00 H ATOM 1786 HB2 GLU A 117 13.606 -18.935 -2.035 1.00 0.00 H ATOM 1787 HB3 GLU A 117 13.244 -17.789 -0.723 1.00 0.00 H ATOM 1788 HG2 GLU A 117 13.718 -20.579 0.076 1.00 0.00 H ATOM 1789 HG3 GLU A 117 15.111 -19.699 -0.595 1.00 0.00 H ATOM 1790 H GLU A 117 11.983 -19.190 -3.136 1.00 0.00 H ATOM 1791 N LEU A 118 10.765 -17.123 -0.830 1.00 23.30 N ATOM 1792 CA LEU A 118 9.970 -16.077 -0.219 1.00 22.74 C ATOM 1793 C LEU A 118 8.537 -16.505 0.087 1.00 24.19 C ATOM 1794 O LEU A 118 8.069 -16.301 1.209 1.00 25.64 O ATOM 1795 CB LEU A 118 9.972 -14.835 -1.089 1.00 19.17 C ATOM 1796 CG LEU A 118 11.299 -14.092 -1.097 1.00 26.45 C ATOM 1797 CD1 LEU A 118 11.228 -12.879 -2.052 1.00 26.81 C ATOM 1798 CD2 LEU A 118 11.616 -13.662 0.336 1.00 24.36 C ATOM 1799 HA LEU A 118 10.439 -15.856 0.740 1.00 0.00 H ATOM 1800 HB2 LEU A 118 9.738 -15.131 -2.111 1.00 0.00 H ATOM 1801 HB3 LEU A 118 9.201 -14.157 -0.723 1.00 0.00 H ATOM 1802 HG LEU A 118 12.097 -14.740 -1.461 1.00 0.00 H ATOM 1803 HD21 LEU A 118 10.823 -13.009 0.702 1.00 0.00 H ATOM 1804 HD22 LEU A 118 11.684 -14.545 0.972 1.00 0.00 H ATOM 1805 HD23 LEU A 118 12.565 -13.127 0.352 1.00 0.00 H ATOM 1806 HD11 LEU A 118 11.007 -13.225 -3.062 1.00 0.00 H ATOM 1807 HD12 LEU A 118 10.442 -12.201 -1.719 1.00 0.00 H ATOM 1808 HD13 LEU A 118 12.185 -12.358 -2.047 1.00 0.00 H ATOM 1809 H LEU A 118 11.223 -16.948 -1.747 1.00 0.00 H ATOM 1810 N LEU A 119 7.841 -17.075 -0.908 1.00 22.19 N ATOM 1811 CA LEU A 119 6.470 -17.570 -0.705 1.00 26.08 C ATOM 1812 C LEU A 119 6.361 -18.564 0.483 1.00 29.13 C ATOM 1813 O LEU A 119 5.506 -18.403 1.360 1.00 30.63 O ATOM 1814 CB LEU A 119 5.901 -18.226 -1.972 1.00 21.51 C ATOM 1815 CG LEU A 119 5.709 -17.383 -3.226 1.00 25.05 C ATOM 1816 CD1 LEU A 119 5.533 -18.298 -4.426 1.00 23.45 C ATOM 1817 CD2 LEU A 119 4.535 -16.405 -3.096 1.00 20.49 C ATOM 1818 HA LEU A 119 5.877 -16.687 -0.466 1.00 0.00 H ATOM 1819 HB2 LEU A 119 6.573 -19.042 -2.237 1.00 0.00 H ATOM 1820 HB3 LEU A 119 4.924 -18.632 -1.709 1.00 0.00 H ATOM 1821 HG LEU A 119 6.601 -16.772 -3.366 1.00 0.00 H ATOM 1822 HD21 LEU A 119 3.616 -16.964 -2.920 1.00 0.00 H ATOM 1823 HD22 LEU A 119 4.717 -15.730 -2.260 1.00 0.00 H ATOM 1824 HD23 LEU A 119 4.441 -15.828 -4.016 1.00 0.00 H ATOM 1825 HD11 LEU A 119 6.419 -18.922 -4.538 1.00 0.00 H ATOM 1826 HD12 LEU A 119 4.658 -18.930 -4.274 1.00 0.00 H ATOM 1827 HD13 LEU A 119 5.396 -17.695 -5.324 1.00 0.00 H ATOM 1828 H LEU A 119 8.281 -17.169 -1.846 1.00 0.00 H ATOM 1829 N TYR A 120 7.235 -19.569 0.504 1.00 27.20 N ATOM 1830 CA TYR A 120 7.372 -20.451 1.658 1.00 29.50 C ATOM 1831 C TYR A 120 7.492 -19.701 2.994 1.00 28.88 C ATOM 1832 O TYR A 120 6.726 -19.946 3.926 1.00 30.98 O ATOM 1833 CB TYR A 120 8.554 -21.412 1.477 1.00 29.74 C ATOM 1834 CG TYR A 120 8.633 -22.418 2.592 1.00 38.19 C ATOM 1835 CD1 TYR A 120 7.579 -23.299 2.822 1.00 36.62 C ATOM 1836 CD2 TYR A 120 9.622 -22.317 3.560 1.00 39.26 C ATOM 1837 CE1 TYR A 120 7.554 -24.108 3.944 1.00 42.65 C ATOM 1838 CE2 TYR A 120 9.575 -23.081 4.715 1.00 46.70 C ATOM 1839 CZ TYR A 120 8.545 -23.981 4.901 1.00 43.28 C ATOM 1840 OH TYR A 120 8.511 -24.750 6.056 1.00 49.25 O ATOM 1841 HA TYR A 120 6.446 -21.023 1.707 1.00 0.00 H ATOM 1842 HB3 TYR A 120 9.478 -20.835 1.456 1.00 0.00 H ATOM 1843 HB2 TYR A 120 8.437 -21.942 0.532 1.00 0.00 H ATOM 1844 HD2 TYR A 120 10.450 -21.625 3.409 1.00 0.00 H ATOM 1845 HE2 TYR A 120 10.349 -22.972 5.475 1.00 0.00 H ATOM 1846 HE1 TYR A 120 6.758 -24.841 4.073 1.00 0.00 H ATOM 1847 HD1 TYR A 120 6.759 -23.352 2.105 1.00 0.00 H ATOM 1848 HH TYR A 120 7.716 -25.339 6.035 1.00 0.00 H ATOM 1849 H TYR A 120 7.838 -19.730 -0.328 1.00 0.00 H ATOM 1850 N SER A 121 8.492 -18.835 3.099 1.00 25.12 N ATOM 1851 CA SER A 121 8.703 -18.059 4.302 1.00 28.39 C ATOM 1852 C SER A 121 7.434 -17.327 4.750 1.00 28.45 C ATOM 1853 O SER A 121 7.159 -17.263 5.943 1.00 28.05 O ATOM 1854 CB SER A 121 9.866 -17.069 4.117 1.00 27.11 C ATOM 1855 OG SER A 121 9.446 -15.910 3.403 1.00 32.47 O ATOM 1856 HA SER A 121 8.965 -18.761 5.093 1.00 0.00 H ATOM 1857 HB2 SER A 121 10.666 -17.559 3.562 1.00 0.00 H ATOM 1858 HB3 SER A 121 10.237 -16.769 5.097 1.00 0.00 H ATOM 1859 HG SER A 121 9.112 -16.177 2.510 1.00 0.00 H ATOM 1860 H SER A 121 9.141 -18.711 2.296 1.00 0.00 H ATOM 1861 N TRP A 122 6.642 -16.840 3.790 1.00 25.89 N ATOM 1862 CA TRP A 122 5.361 -16.188 4.083 1.00 25.40 C ATOM 1863 C TRP A 122 4.252 -17.115 4.570 1.00 26.95 C ATOM 1864 O TRP A 122 3.500 -16.744 5.467 1.00 29.79 O ATOM 1865 CB TRP A 122 4.861 -15.334 2.911 1.00 22.43 C ATOM 1866 CG TRP A 122 5.845 -14.299 2.456 1.00 18.43 C ATOM 1867 CD1 TRP A 122 6.810 -13.697 3.215 1.00 19.90 C ATOM 1868 CD2 TRP A 122 5.992 -13.771 1.130 1.00 20.76 C ATOM 1869 NE1 TRP A 122 7.519 -12.802 2.456 1.00 26.51 N ATOM 1870 CE2 TRP A 122 7.077 -12.867 1.158 1.00 25.16 C ATOM 1871 CE3 TRP A 122 5.324 -13.986 -0.085 1.00 21.74 C ATOM 1872 CZ2 TRP A 122 7.468 -12.127 0.030 1.00 21.15 C ATOM 1873 CZ3 TRP A 122 5.769 -13.318 -1.219 1.00 21.30 C ATOM 1874 CH2 TRP A 122 6.797 -12.364 -1.144 1.00 19.81 C ATOM 1875 HA TRP A 122 5.596 -15.539 4.927 1.00 0.00 H ATOM 1876 HB2 TRP A 122 4.643 -15.995 2.072 1.00 0.00 H ATOM 1877 HB3 TRP A 122 3.946 -14.827 3.220 1.00 0.00 H ATOM 1878 HE1 TRP A 122 8.271 -12.175 2.807 1.00 0.00 H ATOM 1879 HD1 TRP A 122 6.990 -13.899 4.271 1.00 0.00 H ATOM 1880 HZ2 TRP A 122 8.272 -11.394 0.085 1.00 0.00 H ATOM 1881 HH2 TRP A 122 7.068 -11.800 -2.037 1.00 0.00 H ATOM 1882 HZ3 TRP A 122 5.312 -13.538 -2.184 1.00 0.00 H ATOM 1883 HE3 TRP A 122 4.472 -14.664 -0.138 1.00 0.00 H ATOM 1884 H TRP A 122 6.945 -16.926 2.799 1.00 0.00 H ATOM 1885 N THR A 123 4.106 -18.290 3.965 1.00 26.74 N ATOM 1886 CA THR A 123 3.076 -19.237 4.430 1.00 30.00 C ATOM 1887 C THR A 123 3.269 -19.597 5.903 1.00 30.60 C ATOM 1888 O THR A 123 2.380 -20.154 6.537 1.00 33.98 O ATOM 1889 CB THR A 123 3.046 -20.541 3.601 1.00 29.24 C ATOM 1890 OG1 THR A 123 4.200 -21.326 3.918 1.00 35.99 O ATOM 1891 CG2 THR A 123 3.044 -20.228 2.103 1.00 27.00 C ATOM 1892 HA THR A 123 2.125 -18.721 4.298 1.00 0.00 H ATOM 1893 HB THR A 123 2.137 -21.092 3.845 1.00 0.00 H ATOM 1894 HG1 THR A 123 5.017 -20.812 3.700 1.00 0.00 H ATOM 1895 HG23 THR A 123 2.166 -19.630 1.859 1.00 0.00 H ATOM 1896 HG21 THR A 123 3.946 -19.672 1.848 1.00 0.00 H ATOM 1897 HG22 THR A 123 3.019 -21.160 1.538 1.00 0.00 H ATOM 1898 H THR A 123 4.719 -18.541 3.163 1.00 0.00 H ATOM 1899 N VAL A 124 4.448 -19.302 6.427 1.00 34.54 N ATOM 1900 CA VAL A 124 4.815 -19.677 7.791 1.00 36.62 C ATOM 1901 C VAL A 124 4.716 -18.446 8.707 1.00 36.31 C ATOM 1902 O VAL A 124 4.124 -18.511 9.772 1.00 38.78 O ATOM 1903 CB VAL A 124 6.273 -20.212 7.841 1.00 40.34 C ATOM 1904 CG1 VAL A 124 6.728 -20.425 9.294 1.00 43.40 C ATOM 1905 CG2 VAL A 124 6.419 -21.483 7.012 1.00 38.88 C ATOM 1906 HA VAL A 124 4.133 -20.458 8.126 1.00 0.00 H ATOM 1907 HB VAL A 124 6.927 -19.460 7.399 1.00 0.00 H ATOM 1908 HG11 VAL A 124 6.683 -19.477 9.830 1.00 0.00 H ATOM 1909 HG12 VAL A 124 6.071 -21.149 9.777 1.00 0.00 H ATOM 1910 HG13 VAL A 124 7.752 -20.800 9.302 1.00 0.00 H ATOM 1911 HG21 VAL A 124 5.752 -22.250 7.405 1.00 0.00 H ATOM 1912 HG22 VAL A 124 6.160 -21.270 5.975 1.00 0.00 H ATOM 1913 HG23 VAL A 124 7.450 -21.834 7.066 1.00 0.00 H ATOM 1914 H VAL A 124 5.139 -18.784 5.847 1.00 0.00 H ATOM 1915 N GLY A 125 5.245 -17.312 8.254 1.00 28.24 N ATOM 1916 CA GLY A 125 5.286 -16.108 9.075 1.00 27.17 C ATOM 1917 C GLY A 125 3.988 -15.324 9.022 1.00 31.36 C ATOM 1918 O GLY A 125 3.718 -14.504 9.903 1.00 33.62 O ATOM 1919 HA3 GLY A 125 6.095 -15.470 8.720 1.00 0.00 H ATOM 1920 HA2 GLY A 125 5.479 -16.396 10.108 1.00 0.00 H ATOM 1921 H GLY A 125 5.638 -17.284 7.292 1.00 0.00 H ATOM 1922 N LEU A 126 3.219 -15.520 7.952 1.00 29.58 N ATOM 1923 CA LEU A 126 1.949 -14.818 7.767 1.00 30.44 C ATOM 1924 C LEU A 126 0.808 -15.771 7.409 1.00 31.89 C ATOM 1925 O LEU A 126 0.271 -15.723 6.291 1.00 31.26 O ATOM 1926 CB LEU A 126 2.079 -13.725 6.698 1.00 30.01 C ATOM 1927 CG LEU A 126 3.226 -12.728 6.874 1.00 31.55 C ATOM 1928 CD1 LEU A 126 3.393 -11.930 5.609 1.00 27.68 C ATOM 1929 CD2 LEU A 126 3.004 -11.806 8.098 1.00 33.44 C ATOM 1930 HA LEU A 126 1.704 -14.354 8.722 1.00 0.00 H ATOM 1931 HB2 LEU A 126 2.214 -14.218 5.735 1.00 0.00 H ATOM 1932 HB3 LEU A 126 1.147 -13.159 6.688 1.00 0.00 H ATOM 1933 HG LEU A 126 4.143 -13.284 7.068 1.00 0.00 H ATOM 1934 HD21 LEU A 126 2.079 -11.245 7.965 1.00 0.00 H ATOM 1935 HD22 LEU A 126 2.936 -12.413 9.001 1.00 0.00 H ATOM 1936 HD23 LEU A 126 3.841 -11.114 8.186 1.00 0.00 H ATOM 1937 HD11 LEU A 126 3.619 -12.604 4.783 1.00 0.00 H ATOM 1938 HD12 LEU A 126 2.470 -11.390 5.397 1.00 0.00 H ATOM 1939 HD13 LEU A 126 4.210 -11.220 5.734 1.00 0.00 H ATOM 1940 H LEU A 126 3.532 -16.194 7.224 1.00 0.00 H ATOM 1941 N PRO A 127 0.412 -16.619 8.370 1.00 33.35 N ATOM 1942 CA PRO A 127 -0.558 -17.686 8.122 1.00 34.92 C ATOM 1943 C PRO A 127 -1.967 -17.177 7.804 1.00 36.70 C ATOM 1944 O PRO A 127 -2.733 -17.865 7.119 1.00 37.08 O ATOM 1945 CB PRO A 127 -0.559 -18.475 9.434 1.00 37.30 C ATOM 1946 CG PRO A 127 0.011 -17.546 10.456 1.00 35.22 C ATOM 1947 CD PRO A 127 0.981 -16.686 9.729 1.00 32.97 C ATOM 1948 HA PRO A 127 -0.282 -18.271 7.245 1.00 0.00 H ATOM 1949 HD3 PRO A 127 1.040 -15.695 10.179 1.00 0.00 H ATOM 1950 HD2 PRO A 127 1.973 -17.138 9.717 1.00 0.00 H ATOM 1951 HG3 PRO A 127 0.517 -18.109 11.240 1.00 0.00 H ATOM 1952 HG2 PRO A 127 -0.778 -16.938 10.898 1.00 0.00 H ATOM 1953 HB2 PRO A 127 -1.575 -18.764 9.705 1.00 0.00 H ATOM 1954 HB3 PRO A 127 0.059 -19.368 9.343 1.00 0.00 H ATOM 1955 N GLU A 128 -2.294 -15.970 8.260 1.00 38.20 N ATOM 1956 CA GLU A 128 -3.609 -15.400 7.982 1.00 40.42 C ATOM 1957 C GLU A 128 -3.800 -15.024 6.510 1.00 37.58 C ATOM 1958 O GLU A 128 -4.920 -14.759 6.088 1.00 39.57 O ATOM 1959 CB GLU A 128 -3.877 -14.176 8.860 1.00 41.13 C ATOM 1960 CG GLU A 128 -2.814 -13.917 9.900 1.00 54.30 C ATOM 1961 CD GLU A 128 -1.591 -13.233 9.336 1.00 47.65 C ATOM 1962 OE1 GLU A 128 -0.479 -13.613 9.734 1.00 38.07 O ATOM 1963 OE2 GLU A 128 -1.746 -12.257 8.577 1.00 58.91 O ATOM 1964 HA GLU A 128 -4.328 -16.184 8.218 1.00 0.00 H ATOM 1965 HB2 GLU A 128 -3.945 -13.300 8.215 1.00 0.00 H ATOM 1966 HB3 GLU A 128 -4.828 -14.324 9.372 1.00 0.00 H ATOM 1967 HG2 GLU A 128 -3.238 -13.284 10.680 1.00 0.00 H ATOM 1968 HG3 GLU A 128 -2.511 -14.871 10.332 1.00 0.00 H ATOM 1969 H GLU A 128 -1.606 -15.427 8.820 1.00 0.00 H ATOM 1970 N GLU A 129 -2.699 -14.833 5.788 1.00 33.42 N ATOM 1971 CA GLU A 129 -2.760 -14.464 4.378 1.00 30.23 C ATOM 1972 C GLU A 129 -2.938 -15.729 3.563 1.00 30.25 C ATOM 1973 O GLU A 129 -1.976 -16.299 3.052 1.00 27.01 O ATOM 1974 CB GLU A 129 -1.490 -13.738 3.939 1.00 26.07 C ATOM 1975 CG GLU A 129 -1.177 -12.459 4.718 1.00 28.45 C ATOM 1976 CD GLU A 129 -2.111 -11.319 4.363 1.00 36.04 C ATOM 1977 OE1 GLU A 129 -2.096 -10.278 5.065 1.00 34.63 O ATOM 1978 OE2 GLU A 129 -2.891 -11.478 3.400 1.00 32.67 O ATOM 1979 HA GLU A 129 -3.598 -13.785 4.221 1.00 0.00 H ATOM 1980 HB2 GLU A 129 -0.650 -14.422 4.059 1.00 0.00 H ATOM 1981 HB3 GLU A 129 -1.596 -13.476 2.886 1.00 0.00 H ATOM 1982 HG2 GLU A 129 -1.269 -12.667 5.784 1.00 0.00 H ATOM 1983 HG3 GLU A 129 -0.154 -12.155 4.495 1.00 0.00 H ATOM 1984 H GLU A 129 -1.770 -14.950 6.241 1.00 0.00 H ATOM 1985 N VAL A 130 -4.149 -16.263 3.617 1.00 31.48 N ATOM 1986 CA VAL A 130 -4.414 -17.617 3.150 1.00 31.14 C ATOM 1987 C VAL A 130 -4.215 -17.810 1.632 1.00 32.26 C ATOM 1988 O VAL A 130 -3.947 -18.928 1.182 1.00 31.30 O ATOM 1989 CB VAL A 130 -5.814 -18.083 3.591 1.00 30.15 C ATOM 1990 CG1 VAL A 130 -5.910 -18.048 5.099 1.00 27.62 C ATOM 1991 CG2 VAL A 130 -6.880 -17.200 2.977 1.00 26.95 C ATOM 1992 HA VAL A 130 -3.662 -18.248 3.624 1.00 0.00 H ATOM 1993 HB VAL A 130 -5.973 -19.105 3.247 1.00 0.00 H ATOM 1994 HG11 VAL A 130 -5.157 -18.711 5.525 1.00 0.00 H ATOM 1995 HG12 VAL A 130 -5.740 -17.030 5.449 1.00 0.00 H ATOM 1996 HG13 VAL A 130 -6.902 -18.378 5.406 1.00 0.00 H ATOM 1997 HG21 VAL A 130 -6.729 -16.171 3.302 1.00 0.00 H ATOM 1998 HG22 VAL A 130 -6.813 -17.253 1.890 1.00 0.00 H ATOM 1999 HG23 VAL A 130 -7.863 -17.543 3.299 1.00 0.00 H ATOM 2000 H VAL A 130 -4.933 -15.699 4.004 1.00 0.00 H ATOM 2001 N LYS A 131 -4.216 -16.704 0.881 1.00 31.92 N ATOM 2002 CA LYS A 131 -4.049 -16.738 -0.575 1.00 31.40 C ATOM 2003 C LYS A 131 -2.606 -17.006 -0.989 1.00 30.32 C ATOM 2004 O LYS A 131 -2.355 -17.725 -1.964 1.00 28.82 O ATOM 2005 CB LYS A 131 -4.534 -15.436 -1.221 1.00 32.94 C ATOM 2006 CG LYS A 131 -6.013 -15.154 -1.035 1.00 32.44 C ATOM 2007 CD LYS A 131 -6.430 -13.946 -1.842 1.00 34.32 C ATOM 2008 CE LYS A 131 -7.935 -13.777 -1.854 1.00 33.07 C ATOM 2009 NZ LYS A 131 -8.344 -12.565 -2.627 1.00 36.55 N ATOM 2010 HA LYS A 131 -4.662 -17.566 -0.931 1.00 0.00 H ATOM 2011 HB2 LYS A 131 -3.972 -14.610 -0.785 1.00 0.00 H ATOM 2012 HB3 LYS A 131 -4.329 -15.489 -2.290 1.00 0.00 H ATOM 2013 HG2 LYS A 131 -6.587 -16.020 -1.364 1.00 0.00 H ATOM 2014 HG3 LYS A 131 -6.212 -14.966 0.020 1.00 0.00 H ATOM 2015 HD2 LYS A 131 -5.977 -13.055 -1.406 1.00 0.00 H ATOM 2016 HD3 LYS A 131 -6.079 -14.066 -2.867 1.00 0.00 H ATOM 2017 HE2 LYS A 131 -8.289 -13.679 -0.828 1.00 0.00 H ATOM 2018 HE3 LYS A 131 -8.387 -14.658 -2.310 1.00 0.00 H ATOM 2019 HZ1 LYS A 131 -7.921 -11.720 -2.194 1.00 0.00 H ATOM 2020 HZ2 LYS A 131 -8.014 -12.654 -3.609 1.00 0.00 H ATOM 2021 HZ3 LYS A 131 -9.380 -12.481 -2.614 1.00 0.00 H ATOM 2022 H LYS A 131 -4.340 -15.783 1.348 1.00 0.00 H ATOM 2023 N ILE A 132 -1.657 -16.485 -0.215 1.00 30.91 N ATOM 2024 CA ILE A 132 -0.261 -16.864 -0.394 1.00 30.57 C ATOM 2025 C ILE A 132 -0.071 -18.380 -0.259 1.00 32.38 C ATOM 2026 O ILE A 132 0.665 -18.988 -1.035 1.00 31.15 O ATOM 2027 CB ILE A 132 0.687 -16.125 0.579 1.00 31.78 C ATOM 2028 CG1 ILE A 132 0.393 -14.615 0.594 1.00 28.36 C ATOM 2029 CG2 ILE A 132 2.145 -16.402 0.206 1.00 26.72 C ATOM 2030 CD1 ILE A 132 1.314 -13.786 1.536 1.00 20.47 C ATOM 2031 HA ILE A 132 0.005 -16.562 -1.407 1.00 0.00 H ATOM 2032 HB ILE A 132 0.513 -16.502 1.587 1.00 0.00 H ATOM 2033 HG12 ILE A 132 0.513 -14.235 -0.420 1.00 0.00 H ATOM 2034 HG13 ILE A 132 -0.639 -14.472 0.915 1.00 0.00 H ATOM 2035 HD11 ILE A 132 1.199 -14.142 2.560 1.00 0.00 H ATOM 2036 HD12 ILE A 132 2.352 -13.904 1.224 1.00 0.00 H ATOM 2037 HD13 ILE A 132 1.034 -12.734 1.482 1.00 0.00 H ATOM 2038 HG21 ILE A 132 2.336 -17.473 0.264 1.00 0.00 H ATOM 2039 HG22 ILE A 132 2.331 -16.053 -0.810 1.00 0.00 H ATOM 2040 HG23 ILE A 132 2.802 -15.876 0.899 1.00 0.00 H ATOM 2041 H ILE A 132 -1.914 -15.801 0.525 1.00 0.00 H ATOM 2042 N ALA A 133 -0.689 -18.973 0.763 1.00 30.03 N ATOM 2043 CA ALA A 133 -0.632 -20.419 0.951 1.00 31.56 C ATOM 2044 C ALA A 133 -1.330 -21.182 -0.192 1.00 32.52 C ATOM 2045 O ALA A 133 -0.870 -22.246 -0.611 1.00 30.69 O ATOM 2046 CB ALA A 133 -1.219 -20.812 2.319 1.00 31.16 C ATOM 2047 HA ALA A 133 0.419 -20.709 0.929 1.00 0.00 H ATOM 2048 HB1 ALA A 133 -0.646 -20.330 3.111 1.00 0.00 H ATOM 2049 HB2 ALA A 133 -2.259 -20.489 2.373 1.00 0.00 H ATOM 2050 HB3 ALA A 133 -1.166 -21.894 2.438 1.00 0.00 H ATOM 2051 H ALA A 133 -1.223 -18.392 1.441 1.00 0.00 H ATOM 2052 N GLU A 134 -2.404 -20.601 -0.724 1.00 33.20 N ATOM 2053 CA GLU A 134 -3.111 -21.181 -1.857 1.00 34.21 C ATOM 2054 C GLU A 134 -2.199 -21.210 -3.074 1.00 34.40 C ATOM 2055 O GLU A 134 -2.055 -22.245 -3.736 1.00 36.25 O ATOM 2056 CB GLU A 134 -4.369 -20.367 -2.163 1.00 34.12 C ATOM 2057 CG GLU A 134 -5.598 -21.184 -2.380 1.00 35.83 C ATOM 2058 CD GLU A 134 -6.789 -20.352 -2.809 1.00 44.93 C ATOM 2059 OE1 GLU A 134 -7.335 -19.592 -1.966 1.00 40.36 O ATOM 2060 OE2 GLU A 134 -7.280 -20.592 -3.936 1.00 42.12 O ATOM 2061 HA GLU A 134 -3.405 -22.201 -1.609 1.00 0.00 H ATOM 2062 HB2 GLU A 134 -4.551 -19.694 -1.325 1.00 0.00 H ATOM 2063 HB3 GLU A 134 -4.185 -19.782 -3.064 1.00 0.00 H ATOM 2064 HG2 GLU A 134 -5.393 -21.923 -3.154 1.00 0.00 H ATOM 2065 HG3 GLU A 134 -5.846 -21.694 -1.449 1.00 0.00 H ATOM 2066 H GLU A 134 -2.748 -19.707 -0.318 1.00 0.00 H ATOM 2067 N ALA A 135 -1.546 -20.081 -3.332 1.00 30.41 N ATOM 2068 CA ALA A 135 -0.621 -19.941 -4.456 1.00 30.03 C ATOM 2069 C ALA A 135 0.587 -20.872 -4.345 1.00 31.00 C ATOM 2070 O ALA A 135 0.930 -21.560 -5.302 1.00 31.38 O ATOM 2071 CB ALA A 135 -0.164 -18.492 -4.591 1.00 26.51 C ATOM 2072 HA ALA A 135 -1.166 -20.234 -5.353 1.00 0.00 H ATOM 2073 HB1 ALA A 135 -1.031 -17.853 -4.762 1.00 0.00 H ATOM 2074 HB2 ALA A 135 0.340 -18.185 -3.675 1.00 0.00 H ATOM 2075 HB3 ALA A 135 0.524 -18.406 -5.432 1.00 0.00 H ATOM 2076 H ALA A 135 -1.699 -19.263 -2.708 1.00 0.00 H ATOM 2077 N TYR A 136 1.118 -21.011 -3.133 1.00 37.33 N ATOM 2078 CA TYR A 136 2.211 -21.951 -2.852 1.00 37.08 C ATOM 2079 C TYR A 136 1.832 -23.429 -3.020 1.00 37.59 C ATOM 2080 O TYR A 136 2.512 -24.173 -3.730 1.00 35.69 O ATOM 2081 CB TYR A 136 2.792 -21.707 -1.453 1.00 35.11 C ATOM 2082 CG TYR A 136 4.060 -22.484 -1.181 1.00 36.77 C ATOM 2083 CD1 TYR A 136 5.282 -22.055 -1.679 1.00 33.11 C ATOM 2084 CD2 TYR A 136 4.040 -23.636 -0.403 1.00 38.18 C ATOM 2085 CE1 TYR A 136 6.445 -22.756 -1.419 1.00 30.36 C ATOM 2086 CE2 TYR A 136 5.190 -24.364 -0.181 1.00 33.26 C ATOM 2087 CZ TYR A 136 6.391 -23.919 -0.696 1.00 31.76 C ATOM 2088 OH TYR A 136 7.543 -24.635 -0.470 1.00 36.09 O ATOM 2089 HA TYR A 136 2.969 -21.748 -3.608 1.00 0.00 H ATOM 2090 HB3 TYR A 136 2.045 -21.996 -0.714 1.00 0.00 H ATOM 2091 HB2 TYR A 136 3.010 -20.644 -1.351 1.00 0.00 H ATOM 2092 HD2 TYR A 136 3.101 -23.969 0.038 1.00 0.00 H ATOM 2093 HE2 TYR A 136 5.151 -25.286 0.398 1.00 0.00 H ATOM 2094 HE1 TYR A 136 7.401 -22.385 -1.788 1.00 0.00 H ATOM 2095 HD1 TYR A 136 5.326 -21.150 -2.285 1.00 0.00 H ATOM 2096 HH TYR A 136 8.305 -24.178 -0.907 1.00 0.00 H ATOM 2097 H TYR A 136 0.745 -20.432 -2.354 1.00 0.00 H ATOM 2098 N GLN A 137 0.759 -23.864 -2.364 1.00 36.94 N ATOM 2099 CA GLN A 137 0.272 -25.228 -2.580 1.00 40.43 C ATOM 2100 C GLN A 137 -0.085 -25.547 -4.038 1.00 41.69 C ATOM 2101 O GLN A 137 0.207 -26.641 -4.518 1.00 42.68 O ATOM 2102 CB GLN A 137 -0.834 -25.622 -1.591 1.00 42.15 C ATOM 2103 CG GLN A 137 -2.067 -26.302 -2.199 1.00 47.63 C ATOM 2104 CD GLN A 137 -1.891 -27.801 -2.499 1.00 58.52 C ATOM 2105 OE1 GLN A 137 -0.832 -28.395 -2.250 1.00 54.02 O ATOM 2106 NE2 GLN A 137 -2.930 -28.403 -3.089 1.00 57.75 N ATOM 2107 HA GLN A 137 1.125 -25.870 -2.362 1.00 0.00 H ATOM 2108 HB2 GLN A 137 -0.401 -26.306 -0.861 1.00 0.00 H ATOM 2109 HB3 GLN A 137 -1.168 -24.716 -1.085 1.00 0.00 H ATOM 2110 HG2 GLN A 137 -2.896 -26.190 -1.500 1.00 0.00 H ATOM 2111 HG3 GLN A 137 -2.309 -25.795 -3.133 1.00 0.00 H ATOM 2112 HE22 GLN A 137 -3.801 -27.868 -3.280 1.00 0.00 H ATOM 2113 HE21 GLN A 137 -2.867 -29.406 -3.356 1.00 0.00 H ATOM 2114 H GLN A 137 0.266 -23.235 -1.698 1.00 0.00 H ATOM 2115 N MET A 138 -0.541 -24.554 -4.795 1.00 39.62 N ATOM 2116 CA MET A 138 -0.798 -24.807 -6.214 1.00 41.93 C ATOM 2117 C MET A 138 0.499 -25.086 -6.992 1.00 41.18 C ATOM 2118 O MET A 138 0.573 -26.051 -7.751 1.00 44.25 O ATOM 2119 CB MET A 138 -1.586 -23.672 -6.867 1.00 40.59 C ATOM 2120 CG MET A 138 -1.867 -23.921 -8.331 1.00 38.88 C ATOM 2121 SD MET A 138 -1.839 -22.461 -9.369 1.00 40.92 S ATOM 2122 CE MET A 138 -0.128 -21.941 -9.248 1.00 30.36 C ATOM 2123 HA MET A 138 -1.414 -25.705 -6.258 1.00 0.00 H ATOM 2124 HB2 MET A 138 -2.536 -23.561 -6.344 1.00 0.00 H ATOM 2125 HB3 MET A 138 -1.012 -22.750 -6.774 1.00 0.00 H ATOM 2126 HG2 MET A 138 -2.854 -24.375 -8.413 1.00 0.00 H ATOM 2127 HG3 MET A 138 -1.116 -24.617 -8.706 1.00 0.00 H ATOM 2128 HE1 MET A 138 0.113 -21.727 -8.207 1.00 0.00 H ATOM 2129 HE2 MET A 138 0.519 -22.737 -9.616 1.00 0.00 H ATOM 2130 HE3 MET A 138 0.021 -21.043 -9.848 1.00 0.00 H ATOM 2131 H MET A 138 -0.712 -23.613 -4.386 1.00 0.00 H ATOM 2132 N LEU A 139 1.539 -24.306 -6.720 1.00 33.39 N ATOM 2133 CA LEU A 139 2.842 -24.511 -7.343 1.00 34.31 C ATOM 2134 C LEU A 139 3.465 -25.838 -6.921 1.00 36.10 C ATOM 2135 O LEU A 139 4.035 -26.550 -7.742 1.00 40.21 O ATOM 2136 CB LEU A 139 3.797 -23.362 -7.007 1.00 32.60 C ATOM 2137 CG LEU A 139 3.495 -21.963 -7.550 1.00 28.57 C ATOM 2138 CD1 LEU A 139 4.333 -20.913 -6.795 1.00 30.23 C ATOM 2139 CD2 LEU A 139 3.771 -21.888 -9.045 1.00 22.12 C ATOM 2140 HA LEU A 139 2.680 -24.535 -8.421 1.00 0.00 H ATOM 2141 HB2 LEU A 139 3.832 -23.283 -5.920 1.00 0.00 H ATOM 2142 HB3 LEU A 139 4.781 -23.645 -7.381 1.00 0.00 H ATOM 2143 HG LEU A 139 2.437 -21.753 -7.392 1.00 0.00 H ATOM 2144 HD21 LEU A 139 4.820 -22.117 -9.231 1.00 0.00 H ATOM 2145 HD22 LEU A 139 3.142 -22.610 -9.566 1.00 0.00 H ATOM 2146 HD23 LEU A 139 3.548 -20.883 -9.404 1.00 0.00 H ATOM 2147 HD11 LEU A 139 4.086 -20.948 -5.734 1.00 0.00 H ATOM 2148 HD12 LEU A 139 5.393 -21.130 -6.930 1.00 0.00 H ATOM 2149 HD13 LEU A 139 4.111 -19.921 -7.189 1.00 0.00 H ATOM 2150 H LEU A 139 1.421 -23.526 -6.043 1.00 0.00 H ATOM 2151 N LYS A 140 3.319 -26.188 -5.650 1.00 36.90 N ATOM 2152 CA LYS A 140 3.747 -27.493 -5.161 1.00 37.39 C ATOM 2153 C LYS A 140 3.035 -28.662 -5.860 1.00 40.01 C ATOM 2154 O LYS A 140 3.685 -29.593 -6.335 1.00 40.16 O ATOM 2155 CB LYS A 140 3.557 -27.577 -3.646 1.00 36.75 C ATOM 2156 CG LYS A 140 4.358 -28.677 -2.983 1.00 42.54 C ATOM 2157 CD LYS A 140 3.661 -29.178 -1.739 1.00 47.26 C ATOM 2158 CE LYS A 140 4.343 -28.667 -0.479 1.00 54.35 C ATOM 2159 NZ LYS A 140 5.407 -29.606 -0.030 1.00 55.10 N ATOM 2160 HA LYS A 140 4.806 -27.589 -5.402 1.00 0.00 H ATOM 2161 HB2 LYS A 140 3.857 -26.624 -3.210 1.00 0.00 H ATOM 2162 HB3 LYS A 140 2.501 -27.752 -3.442 1.00 0.00 H ATOM 2163 HG2 LYS A 140 4.477 -29.504 -3.683 1.00 0.00 H ATOM 2164 HG3 LYS A 140 5.340 -28.289 -2.711 1.00 0.00 H ATOM 2165 HD2 LYS A 140 2.627 -28.833 -1.748 1.00 0.00 H ATOM 2166 HD3 LYS A 140 3.679 -30.268 -1.736 1.00 0.00 H ATOM 2167 HE2 LYS A 140 3.600 -28.565 0.312 1.00 0.00 H ATOM 2168 HE3 LYS A 140 4.789 -27.694 -0.685 1.00 0.00 H ATOM 2169 HZ1 LYS A 140 4.985 -30.535 0.172 1.00 0.00 H ATOM 2170 HZ2 LYS A 140 6.121 -29.703 -0.780 1.00 0.00 H ATOM 2171 HZ3 LYS A 140 5.856 -29.233 0.831 1.00 0.00 H ATOM 2172 H LYS A 140 2.888 -25.514 -4.985 1.00 0.00 H ATOM 2173 N LYS A 141 1.703 -28.618 -5.908 1.00 39.52 N ATOM 2174 CA LYS A 141 0.931 -29.657 -6.568 1.00 41.04 C ATOM 2175 C LYS A 141 1.323 -29.869 -8.033 1.00 43.38 C ATOM 2176 O LYS A 141 1.267 -30.992 -8.529 1.00 45.90 O ATOM 2177 CB LYS A 141 -0.569 -29.390 -6.445 1.00 41.40 C ATOM 2178 CG LYS A 141 -1.383 -30.651 -6.362 1.00 39.30 C ATOM 2179 CD LYS A 141 -2.787 -30.385 -5.908 1.00 40.47 C ATOM 2180 CE LYS A 141 -3.619 -31.635 -6.031 1.00 36.92 C ATOM 2181 NZ LYS A 141 -5.045 -31.318 -6.252 1.00 37.41 N ATOM 2182 HA LYS A 141 1.170 -30.584 -6.047 1.00 0.00 H ATOM 2183 HB2 LYS A 141 -0.745 -28.802 -5.544 1.00 0.00 H ATOM 2184 HB3 LYS A 141 -0.894 -28.823 -7.317 1.00 0.00 H ATOM 2185 HG2 LYS A 141 -1.414 -31.116 -7.347 1.00 0.00 H ATOM 2186 HG3 LYS A 141 -0.907 -31.331 -5.655 1.00 0.00 H ATOM 2187 HD2 LYS A 141 -2.774 -30.062 -4.867 1.00 0.00 H ATOM 2188 HD3 LYS A 141 -3.223 -29.600 -6.526 1.00 0.00 H ATOM 2189 HE2 LYS A 141 -3.523 -32.216 -5.114 1.00 0.00 H ATOM 2190 HE3 LYS A 141 -3.252 -32.223 -6.872 1.00 0.00 H ATOM 2191 HZ1 LYS A 141 -5.403 -30.761 -5.450 1.00 0.00 H ATOM 2192 HZ2 LYS A 141 -5.145 -30.768 -7.129 1.00 0.00 H ATOM 2193 HZ3 LYS A 141 -5.587 -32.202 -6.332 1.00 0.00 H ATOM 2194 H LYS A 141 1.205 -27.821 -5.462 1.00 0.00 H ATOM 2195 N GLN A 142 1.770 -28.805 -8.698 1.00 48.36 N ATOM 2196 CA GLN A 142 2.284 -28.886 -10.071 1.00 51.04 C ATOM 2197 C GLN A 142 3.747 -29.340 -10.126 1.00 50.24 C ATOM 2198 O GLN A 142 4.305 -29.506 -11.206 1.00 48.23 O ATOM 2199 CB GLN A 142 2.137 -27.531 -10.795 1.00 49.67 C ATOM 2200 CG GLN A 142 0.690 -27.064 -10.967 1.00 49.65 C ATOM 2201 CD GLN A 142 0.586 -25.596 -11.362 1.00 50.22 C ATOM 2202 OE1 GLN A 142 1.502 -24.803 -11.112 1.00 38.89 O ATOM 2203 NE2 GLN A 142 -0.529 -25.231 -11.994 1.00 53.86 N ATOM 2204 HA GLN A 142 1.682 -29.639 -10.580 1.00 0.00 H ATOM 2205 HB2 GLN A 142 2.674 -26.776 -10.220 1.00 0.00 H ATOM 2206 HB3 GLN A 142 2.587 -27.621 -11.784 1.00 0.00 H ATOM 2207 HG2 GLN A 142 0.219 -27.668 -11.743 1.00 0.00 H ATOM 2208 HG3 GLN A 142 0.162 -27.209 -10.024 1.00 0.00 H ATOM 2209 HE22 GLN A 142 -1.273 -25.933 -12.183 1.00 0.00 H ATOM 2210 HE21 GLN A 142 -0.655 -24.245 -12.298 1.00 0.00 H ATOM 2211 H GLN A 142 1.754 -27.879 -8.225 1.00 0.00 H ATOM 2212 N GLY A 143 4.388 -29.441 -8.965 1.00 46.64 N ATOM 2213 CA GLY A 143 5.776 -29.885 -8.912 1.00 49.52 C ATOM 2214 C GLY A 143 6.767 -28.799 -9.284 1.00 50.89 C ATOM 2215 O GLY A 143 7.934 -29.083 -9.579 1.00 51.44 O ATOM 2216 HA3 GLY A 143 5.900 -30.718 -9.603 1.00 0.00 H ATOM 2217 HA2 GLY A 143 5.994 -30.220 -7.898 1.00 0.00 H ATOM 2218 H GLY A 143 3.893 -29.200 -8.083 1.00 0.00 H ATOM 2219 N ILE A 144 6.305 -27.550 -9.264 1.00 44.94 N ATOM 2220 CA ILE A 144 7.191 -26.408 -9.362 1.00 44.03 C ATOM 2221 C ILE A 144 7.935 -26.198 -8.046 1.00 45.11 C ATOM 2222 O ILE A 144 9.163 -26.246 -8.000 1.00 43.83 O ATOM 2223 CB ILE A 144 6.419 -25.131 -9.770 1.00 42.66 C ATOM 2224 CG1 ILE A 144 5.813 -25.308 -11.168 1.00 42.88 C ATOM 2225 CG2 ILE A 144 7.325 -23.909 -9.721 1.00 37.46 C ATOM 2226 CD1 ILE A 144 5.113 -24.069 -11.709 1.00 37.49 C ATOM 2227 HA ILE A 144 7.922 -26.613 -10.144 1.00 0.00 H ATOM 2228 HB ILE A 144 5.610 -24.971 -9.058 1.00 0.00 H ATOM 2229 HG12 ILE A 144 6.615 -25.576 -11.856 1.00 0.00 H ATOM 2230 HG13 ILE A 144 5.087 -26.120 -11.125 1.00 0.00 H ATOM 2231 HD11 ILE A 144 4.298 -23.793 -11.040 1.00 0.00 H ATOM 2232 HD12 ILE A 144 5.827 -23.248 -11.772 1.00 0.00 H ATOM 2233 HD13 ILE A 144 4.714 -24.282 -12.701 1.00 0.00 H ATOM 2234 HG21 ILE A 144 7.705 -23.780 -8.708 1.00 0.00 H ATOM 2235 HG22 ILE A 144 8.159 -24.049 -10.408 1.00 0.00 H ATOM 2236 HG23 ILE A 144 6.757 -23.025 -10.012 1.00 0.00 H ATOM 2237 H ILE A 144 5.281 -27.390 -9.176 1.00 0.00 H ATOM 2238 N VAL A 145 7.186 -26.043 -6.962 1.00 55.76 N ATOM 2239 CA VAL A 145 7.728 -26.287 -5.619 1.00 57.58 C ATOM 2240 C VAL A 145 8.149 -27.754 -5.450 1.00 61.92 C ATOM 2241 O VAL A 145 7.298 -28.647 -5.442 1.00 63.97 O ATOM 2242 CB VAL A 145 6.714 -25.878 -4.508 1.00 54.62 C ATOM 2243 CG1 VAL A 145 7.136 -26.434 -3.147 1.00 52.06 C ATOM 2244 CG2 VAL A 145 6.583 -24.369 -4.456 1.00 48.54 C ATOM 2245 HA VAL A 145 8.614 -25.661 -5.510 1.00 0.00 H ATOM 2246 HB VAL A 145 5.742 -26.306 -4.753 1.00 0.00 H ATOM 2247 HG11 VAL A 145 7.179 -27.522 -3.198 1.00 0.00 H ATOM 2248 HG12 VAL A 145 8.119 -26.042 -2.885 1.00 0.00 H ATOM 2249 HG13 VAL A 145 6.410 -26.133 -2.392 1.00 0.00 H ATOM 2250 HG21 VAL A 145 7.555 -23.929 -4.235 1.00 0.00 H ATOM 2251 HG22 VAL A 145 6.228 -24.003 -5.419 1.00 0.00 H ATOM 2252 HG23 VAL A 145 5.872 -24.094 -3.677 1.00 0.00 H ATOM 2253 H VAL A 145 6.196 -25.743 -7.065 1.00 0.00 H ATOM 2254 N LYS A 146 9.446 -28.020 -5.473 1.00 95.55 N ATOM 2255 CA LYS A 146 10.371 -27.212 -6.272 1.00 94.70 C ATOM 2256 C LYS A 146 10.893 -27.885 -7.533 1.00 95.82 C ATOM 2257 O LYS A 146 11.320 -29.035 -7.511 1.00135.78 O ATOM 2258 CB LYS A 146 11.529 -26.692 -5.409 1.00 94.53 C ATOM 2259 CG LYS A 146 11.133 -26.357 -4.006 1.00 94.13 C ATOM 2260 CD LYS A 146 11.436 -24.939 -3.702 1.00 92.58 C ATOM 2261 CE LYS A 146 10.444 -24.360 -2.767 1.00 91.78 C ATOM 2262 NZ LYS A 146 11.021 -23.645 -1.614 1.00 91.56 N ATOM 2263 HA LYS A 146 9.774 -26.373 -6.629 1.00 0.00 H ATOM 2264 HB2 LYS A 146 12.303 -27.458 -5.374 1.00 0.00 H ATOM 2265 HB3 LYS A 146 11.930 -25.793 -5.877 1.00 0.00 H ATOM 2266 HG2 LYS A 146 10.063 -26.529 -3.885 1.00 0.00 H ATOM 2267 HG3 LYS A 146 11.683 -26.997 -3.316 1.00 0.00 H ATOM 2268 HD2 LYS A 146 12.426 -24.877 -3.251 1.00 0.00 H ATOM 2269 HD3 LYS A 146 11.424 -24.367 -4.630 1.00 0.00 H ATOM 2270 HE2 LYS A 146 9.823 -25.171 -2.387 1.00 0.00 H ATOM 2271 HE3 LYS A 146 9.822 -23.659 -3.324 1.00 0.00 H ATOM 2272 HZ1 LYS A 146 11.608 -24.300 -1.060 1.00 0.00 H ATOM 2273 HZ2 LYS A 146 11.607 -22.856 -1.955 1.00 0.00 H ATOM 2274 HZ3 LYS A 146 10.253 -23.276 -1.017 1.00 0.00 H ATOM 2275 H LYS A 146 9.814 -28.816 -4.914 1.00 0.00 H TER 2276 LYS A 146 HETATM 2277 O HOH 1 10.806 15.385 -0.893 1.00 51.82 O HETATM 2278 O HOH 2 11.346 -23.915 -17.142 1.00 33.96 O HETATM 2279 O HOH 3 22.165 3.489 0.711 1.00 24.14 O HETATM 2280 O HOH 4 15.007 -0.106 -12.128 1.00 17.80 O HETATM 2281 O HOH 5 1.033 -5.740 -11.734 1.00 36.60 O HETATM 2282 O HOH 6 22.073 -10.849 -10.144 1.00 21.69 O HETATM 2283 O HOH 7 6.765 -32.003 -13.303 1.00 55.43 O HETATM 2284 O HOH 8 10.053 -11.548 3.583 1.00 27.38 O HETATM 2285 O HOH 9 20.592 -18.011 -15.660 1.00 50.39 O HETATM 2286 O HOH 10 -3.912 -13.646 1.216 1.00 25.34 O HETATM 2287 O HOH 11 0.063 -17.436 4.183 1.00 32.46 O HETATM 2288 O HOH 12 20.528 -18.875 -11.829 1.00 26.17 O HETATM 2289 O HOH 13 6.503 5.380 7.381 1.00 26.83 O HETATM 2290 O HOH 14 13.160 -5.695 6.849 1.00 20.69 O HETATM 2291 O HOH 15 19.784 -1.846 -4.024 1.00 26.98 O HETATM 2292 O HOH 16 12.376 -11.654 -13.704 1.00 24.73 O HETATM 2293 O HOH 17 -0.965 -1.733 8.386 1.00 42.79 O HETATM 2294 O HOH 18 8.291 9.116 3.959 1.00 39.75 O HETATM 2295 O HOH 19 -6.688 -13.421 3.035 1.00 32.65 O HETATM 2296 O HOH 20 13.934 -22.501 -10.301 1.00 32.29 O HETATM 2297 O HOH 21 7.894 16.619 -1.329 1.00 60.40 O HETATM 2298 O HOH 22 21.446 -7.841 -14.729 1.00 39.09 O HETATM 2299 O HOH 23 0.292 -8.152 8.849 1.00 37.27 O HETATM 2300 O HOH 24 23.421 1.374 1.223 1.00 24.71 O HETATM 2301 O HOH 25 5.241 -3.544 11.330 1.00 48.90 O HETATM 2302 O HOH 26 -6.579 -32.962 -6.648 1.00 34.88 O HETATM 2303 O HOH 27 13.491 -15.559 2.088 1.00 56.53 O HETATM 2304 O HOH 28 12.390 -1.364 6.229 1.00 32.36 O HETATM 2305 O HOH 29 21.446 3.524 -6.073 1.00 36.87 O HETATM 2306 O HOH 30 17.683 -24.805 -9.052 1.00 34.21 O HETATM 2307 O HOH 31 -0.559 -31.502 -10.419 1.00 40.90 O HETATM 2308 O HOH 32 21.459 -4.662 -16.856 1.00 36.00 O HETATM 2309 O HOH 33 -3.805 -23.950 -4.140 1.00 41.35 O HETATM 2310 O HOH 34 -0.815 -5.386 -7.017 1.00 28.60 O HETATM 2311 O HOH 35 -5.145 -21.292 1.620 1.00 35.22 O HETATM 2312 O HOH 36 16.663 1.987 -12.507 1.00 33.84 O HETATM 2313 O HOH 37 19.416 -20.139 -14.738 1.00 48.45 O HETATM 2314 O HOH 38 -2.252 -6.421 -5.105 1.00 38.12 O HETATM 2315 O HOH 39 15.087 3.860 -13.818 1.00 34.61 O HETATM 2316 O HOH 40 4.344 -15.370 -21.760 1.00 52.42 O HETATM 2317 O HOH 41 11.168 12.162 -5.873 1.00 50.50 O HETATM 2318 O HOH 42 15.811 -7.517 3.972 1.00 42.04 O HETATM 2319 O HOH 43 13.365 7.730 -11.212 1.00 48.72 O HETATM 2320 O HOH 44 -7.686 2.857 0.848 1.00 54.57 O HETATM 2321 O HOH 45 30.228 -4.777 -7.819 1.00 58.24 O HETATM 2322 O HOH 46 25.394 -5.586 -1.696 1.00 55.60 O HETATM 2323 O HOH 47 3.103 -6.899 -13.552 1.00 45.70 O HETATM 2324 O HOH 48 15.423 0.269 -15.446 1.00 30.75 O HETATM 2325 O HOH 49 20.091 2.288 -14.848 1.00 36.32 O HETATM 2326 O HOH 50 21.877 -16.524 -12.294 1.00 33.75 O HETATM 2327 O HOH 51 9.216 17.154 0.990 1.00 58.89 O HETATM 2328 O HOH 52 4.987 7.705 -3.775 1.00 40.79 O HETATM 2329 O HOH 53 16.294 -13.599 -14.935 1.00 53.45 O HETATM 2330 O HOH 54 -4.042 -2.452 1.840 1.00 62.22 O HETATM 2331 O HOH 55 6.621 12.192 -2.207 1.00 49.80 O HETATM 2332 O HOH 56 3.868 8.389 -6.744 1.00 47.56 O HETATM 2333 O HOH 57 11.266 -13.455 -25.268 1.00 40.75 O HETATM 2334 O HOH 58 -5.162 -22.354 4.388 1.00 25.34 O HETATM 2335 O HOH 59 17.669 1.855 -15.212 1.00 26.79 O HETATM 2336 O HOH 60 -3.936 -23.407 0.958 1.00 41.25 O HETATM 2337 O HOH 61 2.795 -3.939 -12.310 1.00 32.93 O HETATM 2338 O HOH 62 0.061 -6.510 -9.029 1.00 39.93 O HETATM 2339 O HOH 63 2.889 6.504 -2.815 1.00 42.43 O HETATM 2340 O HOH 64 10.912 9.256 -11.444 1.00 44.59 O HETATM 2341 O HOH 65 7.715 -20.141 -20.206 1.00 48.74 O HETATM 2342 O HOH 66 17.250 6.371 -10.384 1.00 30.98 O HETATM 2343 O HOH 67 13.662 -2.695 -17.148 1.00 42.80 O HETATM 2344 O HOH 68 -4.772 -24.747 -1.433 1.00 48.96 O HETATM 2345 O HOH 69 -2.210 -29.843 -10.227 1.00 51.62 O HETATM 2346 O HOH 70 -4.405 1.620 -6.148 1.00 58.86 O HETATM 2347 O HOH 71 20.340 -9.583 -17.031 1.00 41.79 O HETATM 2348 O HOH 72 11.691 10.620 3.015 1.00 52.14 O HETATM 2349 O HOH 73 14.999 7.515 -8.895 1.00 42.87 O HETATM 2350 O HOH 74 27.761 0.764 -12.218 1.00 42.28 O HETATM 2351 O HOH 75 -3.741 -9.486 7.910 1.00 62.14 O HETATM 2352 O HOH 76 7.521 -12.957 6.826 1.00 12.37 O HETATM 2353 O HOH 77 13.408 -0.635 8.600 1.00 44.44 O HETATM 2354 O HOH 78 -9.018 -12.490 -12.905 1.00 37.43 O HETATM 2355 O HOH 79 -9.297 -17.647 -7.451 1.00 33.83 O HETATM 2356 O HOH 80 -5.497 -19.821 -14.902 1.00 66.72 O HETATM 2357 O HOH 81 -6.738 -17.540 -14.372 1.00 48.44 O HETATM 2358 O HOH 82 -9.012 -25.127 -9.568 1.00 43.56 O HETATM 2359 N SER A 83 -12.116 -6.559 -7.149 1.00 0.24 N HETATM 2360 CA SER A 83 -11.416 -6.427 -5.840 1.00 0.09 C HETATM 2361 C SER A 83 -10.395 -7.550 -5.663 1.00 0.23 C HETATM 2362 O SER A 83 -9.683 -7.596 -4.654 1.00 -0.39 O HETATM 2363 N SER A 83 -10.356 -8.472 -6.625 1.00 -0.26 N HETATM 2364 CA SER A 83 -9.174 -9.314 -6.849 1.00 0.14 C HETATM 2365 C SER A 83 -9.271 -10.175 -8.111 1.00 0.21 C HETATM 2366 O SER A 83 -10.351 -10.641 -8.483 1.00 -0.39 O HETATM 2367 N SER A 83 -8.116 -10.453 -8.708 1.00 -0.26 N HETATM 2368 CA SER A 83 -8.004 -11.452 -9.765 1.00 0.13 C HETATM 2369 C SER A 83 -8.349 -12.845 -9.255 1.00 0.20 C HETATM 2370 O SER A 83 -8.299 -13.108 -8.057 1.00 -0.39 O HETATM 2371 N SER A 83 -8.656 -13.747 -10.179 1.00 -0.26 N HETATM 2372 CA SER A 83 -8.638 -15.171 -9.885 1.00 0.14 C HETATM 2373 C SER A 83 -7.210 -15.710 -9.827 1.00 0.21 C HETATM 2374 O SER A 83 -6.311 -15.211 -10.507 1.00 -0.39 O HETATM 2375 N SER A 83 -7.020 -16.741 -9.013 1.00 -0.26 N HETATM 2376 CA SER A 83 -5.770 -17.462 -8.981 1.00 0.13 C HETATM 2377 C SER A 83 -5.407 -17.969 -10.379 1.00 0.20 C HETATM 2378 O SER A 83 -6.186 -18.673 -11.017 1.00 -0.39 O HETATM 2379 N SER A 83 -4.216 -17.601 -10.839 1.00 -0.26 N HETATM 2380 CA SER A 83 -3.692 -18.070 -12.109 1.00 0.13 C HETATM 2381 C SER A 83 -3.225 -19.512 -11.982 1.00 0.20 C HETATM 2382 O SER A 83 -2.264 -19.801 -11.275 1.00 -0.39 O HETATM 2383 N SER A 83 -3.910 -20.420 -12.666 1.00 -0.27 N HETATM 2384 CA SER A 83 -3.457 -21.809 -12.764 1.00 0.10 C HETATM 2385 C SER A 83 -2.189 -21.974 -13.624 1.00 0.06 C HETATM 2386 O SER A 83 -1.085 -22.150 -13.097 1.00 -0.57 O HETATM 2387 OXT SER A 83 -2.212 -21.863 -14.856 1.00 -0.57 O HETATM 2388 CB SER A 83 -4.586 -22.702 -13.274 1.00 -0.01 C HETATM 2389 CG SER A 83 -5.822 -22.682 -12.372 1.00 0.00 C HETATM 2390 CD SER A 83 -5.562 -23.271 -10.987 1.00 0.04 C HETATM 2391 OE1 SER A 83 -4.843 -24.290 -10.897 1.00 -0.57 O HETATM 2392 OE2 SER A 83 -6.170 -22.789 -10.005 1.00 -0.57 O HETATM 2393 H48 SER A 83 -6.619 -23.265 -12.857 1.00 0.04 H HETATM 2394 H49 SER A 83 -6.152 -21.639 -12.253 1.00 0.04 H HETATM 2395 H46 SER A 83 -4.214 -23.735 -13.335 1.00 0.03 H HETATM 2396 H47 SER A 83 -4.879 -22.358 -14.277 1.00 0.03 H HETATM 2397 H45 SER A 83 -3.203 -22.141 -11.747 1.00 0.07 H HETATM 2398 H44 SER A 83 -4.756 -20.149 -13.126 1.00 0.19 H HETATM 2399 CB SER A 83 -2.534 -17.169 -12.557 1.00 -0.01 C HETATM 2400 CG SER A 83 -1.787 -17.493 -13.851 1.00 -0.04 C HETATM 2401 CD1 SER A 83 -2.735 -17.413 -15.049 1.00 -0.06 C HETATM 2402 H38 SER A 83 -2.182 -17.648 -15.970 1.00 0.02 H HETATM 2403 H39 SER A 83 -3.151 -16.397 -15.120 1.00 0.02 H HETATM 2404 H40 SER A 83 -3.554 -18.136 -14.918 1.00 0.02 H HETATM 2405 CD2 SER A 83 -0.614 -16.542 -14.033 1.00 -0.06 C HETATM 2406 H41 SER A 83 0.055 -16.614 -13.163 1.00 0.02 H HETATM 2407 H42 SER A 83 -0.988 -15.511 -14.123 1.00 0.02 H HETATM 2408 H43 SER A 83 -0.060 -16.813 -14.944 1.00 0.02 H HETATM 2409 H37 SER A 83 -1.397 -18.519 -13.783 1.00 0.03 H HETATM 2410 H35 SER A 83 -1.790 -17.177 -11.747 1.00 0.03 H HETATM 2411 H36 SER A 83 -2.943 -16.154 -12.669 1.00 0.03 H HETATM 2412 H34 SER A 83 -4.491 -18.022 -12.863 1.00 0.08 H HETATM 2413 H33 SER A 83 -3.660 -16.977 -10.290 1.00 0.19 H HETATM 2414 CB SER A 83 -5.847 -18.624 -7.992 1.00 -0.01 C HETATM 2415 CG SER A 83 -4.612 -19.523 -7.964 1.00 -0.04 C HETATM 2416 CD1 SER A 83 -3.338 -18.714 -7.678 1.00 -0.06 C HETATM 2417 H27 SER A 83 -2.470 -19.390 -7.665 1.00 0.02 H HETATM 2418 H28 SER A 83 -3.431 -18.217 -6.701 1.00 0.02 H HETATM 2419 H29 SER A 83 -3.201 -17.956 -8.463 1.00 0.02 H HETATM 2420 CD2 SER A 83 -4.792 -20.656 -6.961 1.00 -0.06 C HETATM 2421 H30 SER A 83 -5.712 -21.212 -7.197 1.00 0.02 H HETATM 2422 H31 SER A 83 -4.866 -20.239 -5.946 1.00 0.02 H HETATM 2423 H32 SER A 83 -3.929 -21.335 -7.017 1.00 0.02 H HETATM 2424 H26 SER A 83 -4.503 -19.974 -8.961 1.00 0.03 H HETATM 2425 H24 SER A 83 -6.716 -19.244 -8.259 1.00 0.03 H HETATM 2426 H25 SER A 83 -5.990 -18.207 -6.984 1.00 0.03 H HETATM 2427 H23 SER A 83 -4.981 -16.773 -8.646 1.00 0.08 H HETATM 2428 H22 SER A 83 -7.762 -17.026 -8.406 1.00 0.19 H HETATM 2429 CB SER A 83 -9.461 -15.957 -10.917 1.00 0.04 C HETATM 2430 CG SER A 83 -10.904 -15.466 -11.017 1.00 0.04 C HETATM 2431 OD1 SER A 83 -11.400 -15.304 -12.153 1.00 -0.57 O HETATM 2432 OD2 SER A 83 -11.537 -15.225 -9.963 1.00 -0.57 O HETATM 2433 H20 SER A 83 -9.470 -17.018 -10.626 1.00 0.05 H HETATM 2434 H21 SER A 83 -8.984 -15.851 -11.902 1.00 0.05 H HETATM 2435 H19 SER A 83 -9.098 -15.318 -8.897 1.00 0.08 H HETATM 2436 H18 SER A 83 -8.905 -13.441 -11.098 1.00 0.19 H HETATM 2437 CB SER A 83 -6.596 -11.442 -10.368 1.00 -0.00 C HETATM 2438 CG SER A 83 -6.449 -10.516 -11.566 1.00 0.00 C HETATM 2439 CD SER A 83 -4.998 -10.221 -11.911 1.00 0.04 C HETATM 2440 OE1 SER A 83 -4.236 -11.173 -12.228 1.00 -0.57 O HETATM 2441 OE2 SER A 83 -4.626 -9.025 -11.876 1.00 -0.57 O HETATM 2442 H16 SER A 83 -6.956 -9.566 -11.340 1.00 0.04 H HETATM 2443 H17 SER A 83 -6.927 -10.989 -12.436 1.00 0.04 H HETATM 2444 H14 SER A 83 -6.348 -12.465 -10.688 1.00 0.03 H HETATM 2445 H15 SER A 83 -5.888 -11.119 -9.591 1.00 0.03 H HETATM 2446 H13 SER A 83 -8.721 -11.191 -10.558 1.00 0.08 H HETATM 2447 H12 SER A 83 -7.295 -9.960 -8.422 1.00 0.19 H HETATM 2448 CB SER A 83 -8.899 -10.207 -5.634 1.00 0.04 C HETATM 2449 CG SER A 83 -7.477 -10.735 -5.609 1.00 0.04 C HETATM 2450 OD1 SER A 83 -6.639 -10.264 -6.416 1.00 -0.57 O HETATM 2451 OD2 SER A 83 -7.183 -11.581 -4.742 1.00 -0.57 O HETATM 2452 H10 SER A 83 -9.592 -11.061 -5.660 1.00 0.05 H HETATM 2453 H11 SER A 83 -9.074 -9.621 -4.719 1.00 0.05 H HETATM 2454 H9 SER A 83 -8.314 -8.640 -6.975 1.00 0.08 H HETATM 2455 H8 SER A 83 -11.156 -8.594 -7.212 1.00 0.19 H HETATM 2456 CB SER A 83 -12.429 -6.432 -4.686 1.00 0.10 C HETATM 2457 OG SER A 83 -11.788 -6.522 -3.421 1.00 -0.39 O HETATM 2458 H7 SER A 83 -11.284 -7.326 -3.379 1.00 0.21 H HETATM 2459 H5 SER A 83 -13.101 -7.294 -4.806 1.00 0.06 H HETATM 2460 H6 SER A 83 -13.015 -5.502 -4.723 1.00 0.06 H HETATM 2461 H4 SER A 83 -10.881 -5.466 -5.828 1.00 0.11 H HETATM 2462 H1 SER A 83 -12.785 -5.811 -7.249 1.00 0.20 H HETATM 2463 H2 SER A 83 -12.595 -7.445 -7.186 1.00 0.20 H HETATM 2464 H3 SER A 83 -11.442 -6.509 -7.897 1.00 0.20 H CONECT 432 431 1042 CONECT 1042 432 1041 CONECT 2359 2360 2462 2463 2464 CONECT 2360 2359 2361 2456 2461 CONECT 2361 2360 2362 2363 CONECT 2362 2361 CONECT 2363 2361 2364 2455 CONECT 2364 2363 2365 2448 2454 CONECT 2365 2364 2366 2367 CONECT 2366 2365 CONECT 2367 2365 2368 2447 CONECT 2368 2367 2369 2437 2446 CONECT 2369 2368 2370 2371 CONECT 2370 2369 CONECT 2371 2369 2372 2436 CONECT 2372 2371 2373 2429 2435 CONECT 2373 2372 2374 2375 CONECT 2374 2373 CONECT 2375 2373 2376 2428 CONECT 2376 2375 2377 2414 2427 CONECT 2377 2376 2378 2379 CONECT 2378 2377 CONECT 2379 2377 2380 2413 CONECT 2380 2379 2381 2399 2412 CONECT 2381 2380 2382 2383 CONECT 2382 2381 CONECT 2383 2381 2384 2398 CONECT 2384 2383 2385 2388 2397 CONECT 2385 2384 2386 2387 CONECT 2386 2385 CONECT 2387 2385 CONECT 2388 2384 2389 2395 2396 CONECT 2389 2388 2390 2393 2394 CONECT 2390 2389 2391 2392 CONECT 2391 2390 CONECT 2392 2390 CONECT 2393 2389 CONECT 2394 2389 CONECT 2395 2388 CONECT 2396 2388 CONECT 2397 2384 CONECT 2398 2383 CONECT 2399 2380 2400 2410 2411 CONECT 2400 2399 2401 2405 2409 CONECT 2401 2400 2402 2403 2404 CONECT 2402 2401 CONECT 2403 2401 CONECT 2404 2401 CONECT 2405 2400 2406 2407 2408 CONECT 2406 2405 CONECT 2407 2405 CONECT 2408 2405 CONECT 2409 2400 CONECT 2410 2399 CONECT 2411 2399 CONECT 2412 2380 CONECT 2413 2379 CONECT 2414 2376 2415 2425 2426 CONECT 2415 2414 2416 2420 2424 CONECT 2416 2415 2417 2418 2419 CONECT 2417 2416 CONECT 2418 2416 CONECT 2419 2416 CONECT 2420 2415 2421 2422 2423 CONECT 2421 2420 CONECT 2422 2420 CONECT 2423 2420 CONECT 2424 2415 CONECT 2425 2414 CONECT 2426 2414 CONECT 2427 2376 CONECT 2428 2375 CONECT 2429 2372 2430 2433 2434 CONECT 2430 2429 2431 2432 CONECT 2431 2430 CONECT 2432 2430 CONECT 2433 2429 CONECT 2434 2429 CONECT 2435 2372 CONECT 2436 2371 CONECT 2437 2368 2438 2444 2445 CONECT 2438 2437 2439 2442 2443 CONECT 2439 2438 2440 2441 CONECT 2440 2439 CONECT 2441 2439 CONECT 2442 2438 CONECT 2443 2438 CONECT 2444 2437 CONECT 2445 2437 CONECT 2446 2368 CONECT 2447 2367 CONECT 2448 2364 2449 2452 2453 CONECT 2449 2448 2450 2451 CONECT 2450 2449 CONECT 2451 2449 CONECT 2452 2448 CONECT 2453 2448 CONECT 2454 2364 CONECT 2455 2363 CONECT 2456 2360 2457 2459 2460 CONECT 2457 2456 2458 CONECT 2458 2457 CONECT 2459 2456 CONECT 2460 2456 CONECT 2461 2360 CONECT 2462 2359 CONECT 2463 2359 CONECT 2464 2359 MASTER 0 0 0 0 0 0 0 0 2463 1 108 11 END
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13aa, >3G2V_2|Chains... at 100%
Complexes with the same small molecule ligand
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PDBbind
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13-mer
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RCSB PDB
PDBbind
13-mer
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
13-mer
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RCSB PDB
PDBbind
13-mer
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
13-mer
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PDBbind
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RCSB PDB
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PDBbind
13-mer
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PDBbind
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PDBbind
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4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
3g2u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
VHS Domain of human GGA1
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=5.4uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Traffic
Ligand Properties
Formula
C
3
3
H
5
4
N
7
O
1
7
Molecular Weight
820.819
Exact Mass
820.358
No. of atoms
111
No. of bonds
110
Polar Surface Area
408.97
LOGP Value
0.97 (
Computed with XLOGP3
)
-2.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)O)CC(=O)O)[NH3+]
InChI String
InChI=1S/C33H53N7O17/c1-14(2)9-19(29(52)36-18(33(56)57)6-8-24(44)45)38-30(53)20(10-15(3)4)39-32(55)22(12-26(48)49)40-28(51)17(5-7-23(42)43)35-31(54)21(11-25(46)47)37-27(50)16(34)13-41/h14-22,41H,5-13,34H2,1-4H3,(H,35,54)(H,36,52)(H,37,50)(H,38,53)(H,39,55)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,56,57)/p+1/t16-,17-,18-,19-,20-,21-,22-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q99523
Q9UJY5
Entrez Gene ID
NCBI Entrez Gene ID:
6272
26088
ASD
Information of known allosteric effects of PDB entries
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