Browse entries in the PDBbind-CN Database
HEADER 4G95_COMPLEX COMPND 4G95_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 186 VAL GLY SER LEU ASN CYS ILE VAL ALA VAL SER GLN ASN SEQRES 2 A 186 MET GLY ILE GLY LYS ASN GLY ASP LEU PRO TRP PRO PRO SEQRES 3 A 186 LEU ARG ASN GLU PHE ARG TYR PHE GLN ARG MET THR THR SEQRES 4 A 186 THR SER SER VAL GLU GLY LYS GLN ASN LEU VAL ILE MET SEQRES 5 A 186 GLY LYS LYS THR TRP PHE SER ILE PRO GLU LYS ASN ARG SEQRES 6 A 186 PRO LEU LYS GLY ARG ILE ASN LEU VAL LEU SER ARG GLU SEQRES 7 A 186 LEU LYS GLU PRO PRO GLN GLY ALA HIS PHE LEU SER ARG SEQRES 8 A 186 SER LEU ASP ASP ALA LEU LYS LEU THR GLU GLN PRO GLU SEQRES 9 A 186 LEU ALA ASN LYS VAL ASP MET VAL TRP ILE VAL GLY GLY SEQRES 10 A 186 SER SER VAL TYR LYS GLU ALA MET ASN HIS PRO GLY HIS SEQRES 11 A 186 LEU LYS LEU PHE VAL THR ARG ILE MET GLN ASP PHE GLU SEQRES 12 A 186 SER ASP THR PHE PHE PRO GLU ILE ASP LEU GLU LYS TYR SEQRES 13 A 186 LYS LEU LEU PRO GLU TYR PRO GLY VAL LEU SER ASP VAL SEQRES 14 A 186 GLN GLU GLU LYS GLY ILE LYS TYR LYS PHE GLU VAL TYR SEQRES 15 A 186 GLU LYS ASN ASP HET OAG A 533 34 ATOM 1 N VAL A 1 6.542 22.282 1.194 1.00 22.91 N ATOM 2 CA VAL A 1 7.918 21.652 0.994 1.00 18.67 C ATOM 3 C VAL A 1 7.805 20.919 -0.317 1.00 16.33 C ATOM 4 O VAL A 1 6.716 20.393 -0.636 1.00 15.96 O ATOM 5 CB VAL A 1 8.218 20.671 2.103 1.00 21.17 C ATOM 6 CG1 VAL A 1 9.539 19.977 1.883 1.00 22.24 C ATOM 7 CG2 VAL A 1 8.188 21.442 3.497 1.00 24.14 C ATOM 8 HN3 VAL A 1 5.821 21.533 1.227 1.00 0.00 H ATOM 9 HN2 VAL A 1 6.339 22.926 0.403 1.00 0.00 H ATOM 10 HN1 VAL A 1 6.532 22.814 2.088 1.00 0.00 H ATOM 11 N GLY A 2 8.860 20.913 -1.096 1.00 12.74 N ATOM 12 CA GLY A 2 8.919 20.222 -2.363 1.00 12.06 C ATOM 13 C GLY A 2 9.317 18.762 -2.245 1.00 10.26 C ATOM 14 O GLY A 2 9.010 18.059 -1.261 1.00 12.58 O ATOM 15 H GLY A 2 9.703 21.436 -0.783 1.00 0.00 H ATOM 16 N SER A 3 9.966 18.354 -3.315 1.00 10.00 N ATOM 17 CA SER A 3 10.262 16.898 -3.457 1.00 8.90 C ATOM 18 C SER A 3 11.255 16.342 -2.456 1.00 8.94 C ATOM 19 O SER A 3 12.122 17.041 -1.920 1.00 10.61 O ATOM 20 CB SER A 3 10.687 16.631 -4.849 1.00 10.22 C ATOM 21 OG SER A 3 11.984 17.184 -5.076 1.00 10.27 O ATOM 22 HG SER A 3 12.261 17.001 -6.009 1.00 0.00 H ATOM 23 H SER A 3 10.266 19.031 -4.045 1.00 0.00 H ATOM 24 N LEU A 4 11.160 15.052 -2.210 1.00 8.91 N ATOM 25 CA LEU A 4 12.093 14.225 -1.367 1.00 8.92 C ATOM 26 C LEU A 4 12.990 13.449 -2.241 1.00 7.82 C ATOM 27 O LEU A 4 12.552 12.735 -3.195 1.00 8.37 O ATOM 28 CB LEU A 4 11.288 13.332 -0.468 1.00 9.87 C ATOM 29 CG LEU A 4 12.095 12.594 0.584 1.00 12.64 C ATOM 30 CD1 LEU A 4 12.869 13.440 1.528 1.00 12.84 C ATOM 31 CD2 LEU A 4 11.165 11.639 1.392 1.00 14.56 C ATOM 32 H LEU A 4 10.357 14.553 -2.643 1.00 0.00 H ATOM 33 N ASN A 5 14.281 13.446 -1.959 1.00 7.94 N ATOM 34 CA ASN A 5 15.322 12.900 -2.873 1.00 7.40 C ATOM 35 C ASN A 5 16.373 12.306 -2.055 1.00 7.74 C ATOM 36 O ASN A 5 16.718 12.823 -0.942 1.00 9.61 O ATOM 37 CB ASN A 5 15.912 14.016 -3.781 1.00 8.06 C ATOM 38 CG ASN A 5 14.823 14.804 -4.472 1.00 8.52 C ATOM 39 OD1 ASN A 5 14.384 14.397 -5.566 1.00 9.31 O ATOM 40 ND2 ASN A 5 14.375 15.890 -3.855 1.00 9.09 N ATOM 41 HD22 ASN A 5 14.784 16.176 -2.943 1.00 0.00 H ATOM 42 HD21 ASN A 5 13.614 16.455 -4.284 1.00 0.00 H ATOM 43 H ASN A 5 14.587 13.847 -1.049 1.00 0.00 H ATOM 44 N CYS A 6 17.024 11.260 -2.549 1.00 6.75 N ATOM 45 CA CYS A 6 18.363 10.810 -2.041 1.00 6.51 C ATOM 46 C CYS A 6 19.353 11.111 -3.095 1.00 7.04 C ATOM 47 O CYS A 6 19.050 10.989 -4.317 1.00 7.63 O ATOM 48 CB CYS A 6 18.367 9.309 -1.808 1.00 7.86 C ATOM 49 SG CYS A 6 17.255 8.768 -0.466 1.00 9.12 S ATOM 50 H CYS A 6 16.585 10.726 -3.326 1.00 0.00 H ATOM 51 N ILE A 7 20.624 11.381 -2.776 1.00 6.65 N ATOM 52 CA ILE A 7 21.712 11.492 -3.713 1.00 6.41 C ATOM 53 C ILE A 7 22.904 10.730 -3.164 1.00 6.59 C ATOM 54 O ILE A 7 23.247 10.889 -1.974 1.00 7.30 O ATOM 55 CB ILE A 7 22.002 12.979 -4.050 1.00 6.31 C ATOM 56 CG1 ILE A 7 23.040 13.089 -5.156 1.00 7.75 C ATOM 57 CG2 ILE A 7 22.421 13.844 -2.864 1.00 7.78 C ATOM 58 CD1 ILE A 7 23.086 14.408 -5.884 1.00 8.36 C ATOM 59 H ILE A 7 20.844 11.522 -1.769 1.00 0.00 H ATOM 60 N VAL A 8 23.558 9.984 -4.039 1.00 6.65 N ATOM 61 CA VAL A 8 24.669 9.109 -3.646 1.00 7.09 C ATOM 62 C VAL A 8 25.595 8.902 -4.792 1.00 6.64 C ATOM 63 O VAL A 8 25.150 8.966 -5.965 1.00 7.11 O ATOM 64 CB VAL A 8 24.121 7.792 -3.112 1.00 7.02 C ATOM 65 CG1 VAL A 8 23.578 6.923 -4.264 1.00 8.72 C ATOM 66 CG2 VAL A 8 25.207 7.044 -2.326 1.00 9.53 C ATOM 67 H VAL A 8 23.275 10.019 -5.039 1.00 0.00 H ATOM 68 N ALA A 9 26.846 8.635 -4.534 1.00 7.50 N ATOM 69 CA ALA A 9 27.795 8.037 -5.495 1.00 7.28 C ATOM 70 C ALA A 9 28.154 6.659 -4.968 1.00 7.36 C ATOM 71 O ALA A 9 28.428 6.490 -3.746 1.00 8.62 O ATOM 72 CB ALA A 9 29.009 8.951 -5.638 1.00 9.20 C ATOM 73 H ALA A 9 27.201 8.860 -3.582 1.00 0.00 H ATOM 74 N VAL A 10 28.192 5.636 -5.812 1.00 7.20 N ATOM 75 CA VAL A 10 28.302 4.249 -5.413 1.00 7.90 C ATOM 76 C VAL A 10 29.150 3.452 -6.337 1.00 8.53 C ATOM 77 O VAL A 10 29.039 3.627 -7.584 1.00 9.76 O ATOM 78 CB VAL A 10 26.913 3.597 -5.242 1.00 8.43 C ATOM 79 CG1 VAL A 10 26.007 3.684 -6.540 1.00 11.81 C ATOM 80 CG2 VAL A 10 26.959 2.266 -4.662 1.00 11.11 C ATOM 81 H VAL A 10 28.139 5.845 -6.829 1.00 0.00 H ATOM 82 N SER A 11 30.058 2.659 -5.806 1.00 8.40 N ATOM 83 CA SER A 11 30.911 1.783 -6.660 1.00 8.71 C ATOM 84 C SER A 11 30.105 0.609 -7.132 1.00 9.40 C ATOM 85 O SER A 11 28.980 0.292 -6.733 1.00 9.35 O ATOM 86 CB SER A 11 32.164 1.368 -5.819 1.00 10.29 C ATOM 87 OG SER A 11 31.793 0.595 -4.733 1.00 9.91 O ATOM 88 HG SER A 11 31.337 -0.224 -5.052 1.00 0.00 H ATOM 89 H SER A 11 30.182 2.644 -4.774 1.00 0.00 H ATOM 90 N GLN A 12 30.835 -0.161 -8.059 1.00 10.36 N ATOM 91 CA GLN A 12 30.123 -1.337 -8.615 1.00 12.03 C ATOM 92 C GLN A 12 29.718 -2.404 -7.610 1.00 10.24 C ATOM 93 O GLN A 12 28.716 -3.081 -7.682 1.00 13.31 O ATOM 94 CB GLN A 12 31.070 -1.996 -9.608 1.00 14.55 C ATOM 95 CG GLN A 12 30.953 -1.450 -10.922 1.00 20.28 C ATOM 96 CD GLN A 12 31.880 -2.097 -11.952 1.00 29.15 C ATOM 97 OE1 GLN A 12 32.648 -3.029 -11.648 1.00 33.00 O ATOM 98 NE2 GLN A 12 31.780 -1.594 -13.180 1.00 29.51 N ATOM 99 HE22 GLN A 12 31.119 -0.814 -13.370 1.00 0.00 H ATOM 100 HE21 GLN A 12 32.363 -1.981 -13.949 1.00 0.00 H ATOM 101 H GLN A 12 31.808 0.079 -8.335 1.00 0.00 H ATOM 102 N ASN A 13 30.567 -2.464 -6.534 1.00 9.95 N ATOM 103 CA ASN A 13 30.295 -3.372 -5.421 1.00 11.27 C ATOM 104 C ASN A 13 29.466 -2.728 -4.303 1.00 12.42 C ATOM 105 O ASN A 13 29.417 -3.177 -3.191 1.00 12.71 O ATOM 106 CB ASN A 13 31.568 -3.938 -4.764 1.00 11.74 C ATOM 107 CG ASN A 13 32.535 -2.824 -4.393 1.00 11.26 C ATOM 108 OD1 ASN A 13 32.852 -1.892 -5.080 1.00 10.52 O ATOM 109 ND2 ASN A 13 33.116 -2.968 -3.214 1.00 13.03 N ATOM 110 HD22 ASN A 13 32.858 -3.768 -2.601 1.00 0.00 H ATOM 111 HD21 ASN A 13 33.831 -2.282 -2.899 1.00 0.00 H ATOM 112 H ASN A 13 31.412 -1.858 -6.510 1.00 0.00 H ATOM 113 N MET A 14 28.741 -1.653 -4.689 1.00 11.40 N ATOM 114 CA MET A 14 27.773 -0.930 -3.807 1.00 10.11 C ATOM 115 C MET A 14 28.399 -0.139 -2.689 1.00 8.84 C ATOM 116 O MET A 14 27.648 0.257 -1.765 1.00 9.81 O ATOM 117 CB MET A 14 26.720 -1.884 -3.244 1.00 12.04 C ATOM 118 CG MET A 14 25.911 -2.604 -4.439 1.00 14.79 C ATOM 119 SD MET A 14 24.970 -1.446 -5.398 1.00 20.45 S ATOM 120 CE MET A 14 23.539 -1.277 -4.328 1.00 22.96 C ATOM 121 H MET A 14 28.865 -1.307 -5.662 1.00 0.00 H ATOM 122 N GLY A 15 29.653 0.153 -2.811 1.00 8.02 N ATOM 123 CA GLY A 15 30.341 0.885 -1.729 1.00 8.59 C ATOM 124 C GLY A 15 30.056 2.345 -1.778 1.00 8.35 C ATOM 125 O GLY A 15 30.095 2.964 -2.860 1.00 8.61 O ATOM 126 H GLY A 15 30.174 -0.126 -3.667 1.00 0.00 H ATOM 127 N ILE A 16 29.883 2.978 -0.604 1.00 8.02 N ATOM 128 CA ILE A 16 29.703 4.436 -0.493 1.00 8.40 C ATOM 129 C ILE A 16 30.707 5.047 0.425 1.00 9.79 C ATOM 130 O ILE A 16 30.788 6.231 0.515 1.00 12.56 O ATOM 131 CB ILE A 16 28.269 4.797 -0.116 1.00 9.07 C ATOM 132 CG1 ILE A 16 27.882 4.244 1.258 1.00 9.29 C ATOM 133 CG2 ILE A 16 27.300 4.277 -1.191 1.00 10.27 C ATOM 134 CD1 ILE A 16 26.420 4.729 1.708 1.00 12.47 C ATOM 135 H ILE A 16 29.876 2.411 0.268 1.00 0.00 H ATOM 136 N GLY A 17 31.508 4.282 1.184 1.00 8.85 N ATOM 137 CA GLY A 17 32.524 4.910 2.087 1.00 9.48 C ATOM 138 C GLY A 17 33.453 3.810 2.564 1.00 8.84 C ATOM 139 O GLY A 17 33.178 2.642 2.529 1.00 8.44 O ATOM 140 H GLY A 17 31.422 3.246 1.144 1.00 0.00 H ATOM 141 N LYS A 18 34.604 4.330 2.988 1.00 9.91 N ATOM 142 CA LYS A 18 35.609 3.481 3.655 1.00 11.28 C ATOM 143 C LYS A 18 36.197 4.406 4.726 1.00 9.49 C ATOM 144 O LYS A 18 36.834 5.387 4.459 1.00 9.65 O ATOM 145 CB LYS A 18 36.625 3.023 2.683 1.00 12.39 C ATOM 146 CG LYS A 18 37.603 1.964 3.394 1.00 15.71 C ATOM 147 CD LYS A 18 38.611 1.334 2.438 1.00 19.34 C ATOM 148 CE LYS A 18 39.567 2.397 2.136 1.00 17.00 C ATOM 149 NZ LYS A 18 40.607 1.913 1.052 1.00 27.58 N ATOM 150 HZ1 LYS A 18 41.123 1.086 1.414 1.00 0.00 H ATOM 151 HZ2 LYS A 18 40.102 1.654 0.180 1.00 0.00 H ATOM 152 HZ3 LYS A 18 41.278 2.681 0.850 1.00 0.00 H ATOM 153 H LYS A 18 34.795 5.343 2.848 1.00 0.00 H ATOM 154 N ASN A 19 35.975 3.935 5.925 1.00 9.56 N ATOM 155 CA ASN A 19 36.429 4.688 7.132 1.00 14.04 C ATOM 156 C ASN A 19 36.054 6.089 7.083 1.00 14.20 C ATOM 157 O ASN A 19 36.996 6.927 7.312 1.00 14.98 O ATOM 158 CB ASN A 19 37.893 4.538 7.340 1.00 15.82 C ATOM 159 CG ASN A 19 38.205 3.255 7.944 1.00 15.62 C ATOM 160 OD1 ASN A 19 37.451 2.727 8.782 1.00 14.58 O ATOM 161 ND2 ASN A 19 39.107 2.611 7.383 1.00 13.38 N ATOM 162 HD22 ASN A 19 39.723 3.077 6.687 1.00 0.00 H ATOM 163 HD21 ASN A 19 39.246 1.606 7.610 1.00 0.00 H ATOM 164 H ASN A 19 35.478 3.029 6.039 1.00 0.00 H ATOM 165 N GLY A 20 34.870 6.378 6.661 1.00 15.67 N ATOM 166 CA GLY A 20 34.452 7.791 6.682 1.00 17.36 C ATOM 167 C GLY A 20 35.034 8.646 5.622 1.00 15.69 C ATOM 168 O GLY A 20 34.895 9.835 5.673 1.00 16.51 O ATOM 169 H GLY A 20 34.229 5.635 6.316 1.00 0.00 H ATOM 170 N ASP A 21 35.576 8.076 4.544 1.00 12.72 N ATOM 171 CA ASP A 21 36.079 8.748 3.371 1.00 14.76 C ATOM 172 C ASP A 21 35.513 8.048 2.133 1.00 14.04 C ATOM 173 O ASP A 21 34.972 6.981 2.188 1.00 13.38 O ATOM 174 CB ASP A 21 37.609 8.576 3.414 1.00 18.41 C ATOM 175 CG ASP A 21 38.371 9.513 2.511 1.00 26.47 C ATOM 176 OD1 ASP A 21 37.768 10.514 2.027 1.00 27.09 O ATOM 177 OD2 ASP A 21 39.584 9.219 2.299 1.00 34.27 O ATOM 178 H ASP A 21 35.643 7.038 4.550 1.00 0.00 H ATOM 179 N LEU A 22 35.679 8.733 1.026 1.00 15.33 N ATOM 180 CA LEU A 22 35.161 8.050 -0.197 1.00 15.92 C ATOM 181 C LEU A 22 36.069 6.900 -0.575 1.00 16.33 C ATOM 182 O LEU A 22 37.279 6.916 -0.318 1.00 15.98 O ATOM 183 CB LEU A 22 34.822 9.065 -1.278 1.00 22.25 C ATOM 184 CG LEU A 22 33.697 10.107 -0.905 1.00 24.60 C ATOM 185 CD1 LEU A 22 33.584 11.092 -1.996 1.00 33.19 C ATOM 186 CD2 LEU A 22 32.318 9.427 -0.544 1.00 24.27 C ATOM 187 H LEU A 22 36.131 9.669 1.002 1.00 0.00 H ATOM 188 N PRO A 23 35.481 5.845 -1.130 1.00 12.38 N ATOM 189 CA PRO A 23 36.321 4.663 -1.483 1.00 12.21 C ATOM 190 C PRO A 23 37.279 4.974 -2.624 1.00 14.13 C ATOM 191 O PRO A 23 38.309 4.260 -2.755 1.00 14.21 O ATOM 192 CB PRO A 23 35.351 3.604 -1.877 1.00 12.33 C ATOM 193 CG PRO A 23 33.970 4.024 -1.190 1.00 12.67 C ATOM 194 CD PRO A 23 34.044 5.531 -1.282 1.00 12.64 C ATOM 195 N TRP A 24 36.989 5.950 -3.463 1.00 12.44 N ATOM 196 CA TRP A 24 37.730 6.283 -4.654 1.00 12.95 C ATOM 197 C TRP A 24 38.466 7.621 -4.375 1.00 13.77 C ATOM 198 O TRP A 24 38.085 8.379 -3.504 1.00 14.93 O ATOM 199 CB TRP A 24 36.727 6.403 -5.876 1.00 12.52 C ATOM 200 CG TRP A 24 35.426 7.166 -5.509 1.00 11.35 C ATOM 201 CD1 TRP A 24 35.193 8.465 -5.519 1.00 13.30 C ATOM 202 CD2 TRP A 24 34.222 6.506 -5.049 1.00 10.27 C ATOM 203 NE1 TRP A 24 33.842 8.739 -5.018 1.00 13.58 N ATOM 204 CE2 TRP A 24 33.303 7.523 -4.738 1.00 12.39 C ATOM 205 CE3 TRP A 24 33.879 5.217 -4.861 1.00 12.50 C ATOM 206 CZ2 TRP A 24 32.001 7.230 -4.261 1.00 11.47 C ATOM 207 CZ3 TRP A 24 32.584 4.937 -4.361 1.00 11.75 C ATOM 208 CH2 TRP A 24 31.687 5.954 -4.112 1.00 11.54 C ATOM 209 HE1 TRP A 24 33.391 9.669 -4.901 1.00 0.00 H ATOM 210 H TRP A 24 36.153 6.530 -3.246 1.00 0.00 H ATOM 211 N PRO A 25 39.461 7.911 -5.228 1.00 16.35 N ATOM 212 CA PRO A 25 40.120 9.230 -5.181 1.00 18.42 C ATOM 213 C PRO A 25 39.129 10.338 -5.518 1.00 15.88 C ATOM 214 O PRO A 25 38.066 10.072 -6.186 1.00 15.53 O ATOM 215 CB PRO A 25 41.230 9.120 -6.229 1.00 20.96 C ATOM 216 CG PRO A 25 40.968 7.926 -6.973 1.00 23.69 C ATOM 217 CD PRO A 25 39.996 7.015 -6.262 1.00 17.85 C ATOM 218 N PRO A 26 39.358 11.520 -5.128 1.00 16.04 N ATOM 219 CA PRO A 26 38.433 12.615 -5.316 1.00 16.56 C ATOM 220 C PRO A 26 38.138 12.819 -6.793 1.00 16.94 C ATOM 221 O PRO A 26 39.031 12.764 -7.614 1.00 17.18 O ATOM 222 CB PRO A 26 39.194 13.829 -4.807 1.00 17.65 C ATOM 223 CG PRO A 26 40.141 13.247 -3.750 1.00 18.25 C ATOM 224 CD PRO A 26 40.509 11.853 -4.242 1.00 18.29 C ATOM 225 N LEU A 27 36.848 12.987 -7.128 1.00 15.20 N ATOM 226 CA LEU A 27 36.341 13.238 -8.486 1.00 14.75 C ATOM 227 C LEU A 27 35.766 14.594 -8.449 1.00 15.04 C ATOM 228 O LEU A 27 34.572 14.820 -8.008 1.00 14.60 O ATOM 229 CB LEU A 27 35.316 12.150 -8.838 1.00 14.95 C ATOM 230 CG LEU A 27 35.817 10.708 -8.721 1.00 13.48 C ATOM 231 CD1 LEU A 27 34.610 9.788 -8.973 1.00 16.58 C ATOM 232 CD2 LEU A 27 36.999 10.432 -9.684 1.00 19.72 C ATOM 233 H LEU A 27 36.147 12.935 -6.361 1.00 0.00 H ATOM 234 N ARG A 28 36.517 15.583 -8.904 1.00 14.26 N ATOM 235 CA ARG A 28 36.172 16.935 -8.666 1.00 15.95 C ATOM 236 C ARG A 28 34.860 17.320 -9.348 1.00 14.44 C ATOM 237 O ARG A 28 34.010 18.072 -8.800 1.00 14.54 O ATOM 238 CB ARG A 28 37.306 17.846 -9.247 1.00 18.58 C ATOM 239 CG ARG A 28 36.911 19.273 -9.588 1.00 21.58 C ATOM 240 CD ARG A 28 38.101 19.956 -10.373 1.00 36.20 C ATOM 241 NE ARG A 28 38.822 20.933 -9.572 1.00 44.85 N ATOM 242 CZ ARG A 28 39.477 21.972 -10.089 1.00 50.08 C ATOM 243 NH1 ARG A 28 40.091 22.850 -9.292 1.00 52.75 N ATOM 244 NH2 ARG A 28 39.502 22.139 -11.414 1.00 51.41 N ATOM 245 HE ARG A 28 38.827 20.814 -8.539 1.00 0.00 H ATOM 246 HH12 ARG A 28 40.600 23.658 -9.703 1.00 0.00 H ATOM 247 HH11 ARG A 28 40.060 22.726 -8.260 1.00 0.00 H ATOM 248 HH22 ARG A 28 40.011 22.947 -11.827 1.00 0.00 H ATOM 249 HH21 ARG A 28 39.013 21.461 -12.033 1.00 0.00 H ATOM 250 H ARG A 28 37.377 15.363 -9.447 1.00 0.00 H ATOM 251 N ASN A 29 34.638 16.873 -10.567 1.00 12.82 N ATOM 252 CA ASN A 29 33.388 17.271 -11.282 1.00 14.31 C ATOM 253 C ASN A 29 32.168 16.473 -10.705 1.00 12.48 C ATOM 254 O ASN A 29 31.036 17.009 -10.718 1.00 13.46 O ATOM 255 CB ASN A 29 33.495 17.029 -12.774 1.00 15.27 C ATOM 256 CG ASN A 29 34.502 18.010 -13.452 1.00 21.35 C ATOM 257 OD1 ASN A 29 35.017 17.710 -14.556 1.00 26.70 O ATOM 258 ND2 ASN A 29 34.685 19.135 -12.875 1.00 20.09 N ATOM 259 HD22 ASN A 29 34.232 19.329 -11.959 1.00 0.00 H ATOM 260 HD21 ASN A 29 35.287 19.856 -13.321 1.00 0.00 H ATOM 261 H ASN A 29 35.328 16.247 -11.029 1.00 0.00 H ATOM 262 N GLU A 30 32.399 15.300 -10.133 1.00 12.20 N ATOM 263 CA GLU A 30 31.305 14.539 -9.478 1.00 12.74 C ATOM 264 C GLU A 30 30.923 15.358 -8.268 1.00 14.15 C ATOM 265 O GLU A 30 29.711 15.498 -7.910 1.00 13.39 O ATOM 266 CB GLU A 30 31.766 13.144 -9.119 1.00 11.40 C ATOM 267 CG GLU A 30 30.579 12.164 -9.084 1.00 11.44 C ATOM 268 CD GLU A 30 29.703 12.340 -7.888 1.00 12.75 C ATOM 269 OE1 GLU A 30 28.437 12.182 -8.067 1.00 10.71 O ATOM 270 OE2 GLU A 30 30.148 12.530 -6.748 1.00 13.40 O ATOM 271 H GLU A 30 33.362 14.906 -10.143 1.00 0.00 H ATOM 272 N PHE A 31 31.866 15.894 -7.461 1.00 12.77 N ATOM 273 CA PHE A 31 31.481 16.697 -6.348 1.00 12.22 C ATOM 274 C PHE A 31 30.772 17.988 -6.777 1.00 12.31 C ATOM 275 O PHE A 31 29.771 18.390 -6.072 1.00 12.52 O ATOM 276 CB PHE A 31 32.704 17.004 -5.461 1.00 15.88 C ATOM 277 CG PHE A 31 32.289 17.588 -4.182 1.00 20.03 C ATOM 278 CD1 PHE A 31 32.784 18.824 -3.774 1.00 25.66 C ATOM 279 CD2 PHE A 31 31.388 16.910 -3.358 1.00 23.17 C ATOM 280 CE1 PHE A 31 32.345 19.354 -2.537 1.00 22.67 C ATOM 281 CE2 PHE A 31 30.975 17.454 -2.139 1.00 23.87 C ATOM 282 CZ PHE A 31 31.434 18.688 -1.735 1.00 25.90 C ATOM 283 H PHE A 31 32.873 15.720 -7.652 1.00 0.00 H ATOM 284 N ARG A 32 31.208 18.590 -7.890 1.00 11.73 N ATOM 285 CA ARG A 32 30.497 19.715 -8.375 1.00 12.61 C ATOM 286 C ARG A 32 29.007 19.422 -8.688 1.00 11.17 C ATOM 287 O ARG A 32 28.136 20.260 -8.424 1.00 11.95 O ATOM 288 CB ARG A 32 31.194 20.292 -9.585 1.00 13.93 C ATOM 289 CG ARG A 32 32.536 21.116 -9.364 1.00 20.10 C ATOM 290 CD ARG A 32 33.323 21.636 -10.618 1.00 31.26 C ATOM 291 NE ARG A 32 34.728 21.789 -10.201 1.00 42.49 N ATOM 292 CZ ARG A 32 35.219 22.680 -9.309 1.00 47.00 C ATOM 293 NH1 ARG A 32 36.528 22.648 -9.020 1.00 50.03 N ATOM 294 NH2 ARG A 32 34.453 23.616 -8.713 1.00 45.60 N ATOM 295 HE ARG A 32 35.416 21.143 -10.639 1.00 0.00 H ATOM 296 HH12 ARG A 32 36.926 23.324 -8.337 1.00 0.00 H ATOM 297 HH11 ARG A 32 37.145 21.947 -9.479 1.00 0.00 H ATOM 298 HH22 ARG A 32 34.877 24.279 -8.033 1.00 0.00 H ATOM 299 HH21 ARG A 32 33.438 23.675 -8.933 1.00 0.00 H ATOM 300 H ARG A 32 32.051 18.239 -8.388 1.00 0.00 H ATOM 301 N TYR A 33 28.790 18.201 -9.194 1.00 11.47 N ATOM 302 CA TYR A 33 27.436 17.771 -9.525 1.00 10.52 C ATOM 303 C TYR A 33 26.653 17.631 -8.258 1.00 9.61 C ATOM 304 O TYR A 33 25.506 18.146 -8.182 1.00 9.05 O ATOM 305 CB TYR A 33 27.525 16.436 -10.231 1.00 11.96 C ATOM 306 CG TYR A 33 26.180 15.728 -10.402 1.00 8.97 C ATOM 307 CD1 TYR A 33 25.796 14.674 -9.591 1.00 10.49 C ATOM 308 CD2 TYR A 33 25.291 16.121 -11.418 1.00 9.82 C ATOM 309 CE1 TYR A 33 24.550 14.045 -9.836 1.00 9.05 C ATOM 310 CE2 TYR A 33 24.042 15.524 -11.644 1.00 11.58 C ATOM 311 CZ TYR A 33 23.717 14.501 -10.814 1.00 8.55 C ATOM 312 OH TYR A 33 22.489 13.884 -11.038 1.00 10.58 O ATOM 313 HH TYR A 33 22.360 13.158 -10.377 1.00 0.00 H ATOM 314 H TYR A 33 29.591 17.556 -9.352 1.00 0.00 H ATOM 315 N PHE A 34 27.167 17.010 -7.256 1.00 9.16 N ATOM 316 CA PHE A 34 26.505 16.878 -5.978 1.00 9.76 C ATOM 317 C PHE A 34 26.178 18.258 -5.383 1.00 9.58 C ATOM 318 O PHE A 34 25.022 18.472 -4.921 1.00 9.43 O ATOM 319 CB PHE A 34 27.415 16.114 -4.991 1.00 9.89 C ATOM 320 CG PHE A 34 26.997 16.212 -3.579 1.00 10.50 C ATOM 321 CD1 PHE A 34 25.956 15.432 -3.072 1.00 9.90 C ATOM 322 CD2 PHE A 34 27.613 17.155 -2.690 1.00 11.83 C ATOM 323 CE1 PHE A 34 25.544 15.530 -1.793 1.00 10.08 C ATOM 324 CE2 PHE A 34 27.188 17.243 -1.365 1.00 14.82 C ATOM 325 CZ PHE A 34 26.217 16.461 -0.889 1.00 11.90 C ATOM 326 H PHE A 34 28.107 16.581 -7.371 1.00 0.00 H ATOM 327 N GLN A 35 27.102 19.227 -5.439 1.00 9.60 N ATOM 328 CA GLN A 35 26.832 20.550 -4.913 1.00 10.18 C ATOM 329 C GLN A 35 25.740 21.234 -5.706 1.00 10.13 C ATOM 330 O GLN A 35 24.792 21.773 -5.099 1.00 10.53 O ATOM 331 CB GLN A 35 28.116 21.352 -5.004 1.00 12.64 C ATOM 332 CG GLN A 35 29.319 20.958 -4.052 1.00 11.68 C ATOM 333 CD GLN A 35 29.110 21.475 -2.678 1.00 15.84 C ATOM 334 OE1 GLN A 35 28.060 21.393 -2.086 1.00 16.83 O ATOM 335 NE2 GLN A 35 30.202 22.019 -2.081 1.00 17.62 N ATOM 336 HE22 GLN A 35 31.100 22.084 -2.601 1.00 0.00 H ATOM 337 HE21 GLN A 35 30.140 22.370 -1.104 1.00 0.00 H ATOM 338 H GLN A 35 28.028 19.026 -5.867 1.00 0.00 H ATOM 339 N ARG A 36 25.824 21.120 -7.034 1.00 10.88 N ATOM 340 CA ARG A 36 24.813 21.780 -7.863 1.00 11.46 C ATOM 341 C ARG A 36 23.420 21.204 -7.682 1.00 11.58 C ATOM 342 O ARG A 36 22.438 21.957 -7.503 1.00 10.96 O ATOM 343 CB ARG A 36 25.239 21.694 -9.330 1.00 13.50 C ATOM 344 CG ARG A 36 24.150 22.176 -10.282 1.00 14.53 C ATOM 345 CD ARG A 36 24.757 22.284 -11.698 1.00 14.46 C ATOM 346 NE ARG A 36 25.140 20.948 -12.275 1.00 15.71 N ATOM 347 CZ ARG A 36 24.290 20.115 -12.842 1.00 12.99 C ATOM 348 NH1 ARG A 36 22.983 20.379 -12.838 1.00 11.96 N ATOM 349 NH2 ARG A 36 24.754 18.981 -13.396 1.00 14.64 N ATOM 350 HE ARG A 36 26.139 20.664 -12.223 1.00 0.00 H ATOM 351 HH12 ARG A 36 22.318 19.718 -13.287 1.00 0.00 H ATOM 352 HH11 ARG A 36 22.629 21.246 -12.386 1.00 0.00 H ATOM 353 HH22 ARG A 36 24.095 18.315 -13.847 1.00 0.00 H ATOM 354 HH21 ARG A 36 25.772 18.770 -13.374 1.00 0.00 H ATOM 355 H ARG A 36 26.593 20.573 -7.471 1.00 0.00 H ATOM 356 N MET A 37 23.290 19.880 -7.682 1.00 10.44 N ATOM 357 CA MET A 37 21.969 19.278 -7.521 1.00 8.70 C ATOM 358 C MET A 37 21.350 19.568 -6.221 1.00 8.55 C ATOM 359 O MET A 37 20.156 19.855 -6.110 1.00 10.45 O ATOM 360 CB MET A 37 22.082 17.737 -7.772 1.00 11.22 C ATOM 361 CG MET A 37 22.520 17.329 -9.179 1.00 12.14 C ATOM 362 SD MET A 37 21.420 18.024 -10.478 1.00 13.48 S ATOM 363 CE MET A 37 20.045 17.006 -10.183 1.00 20.49 C ATOM 364 H MET A 37 24.128 19.274 -7.796 1.00 0.00 H ATOM 365 N THR A 38 22.092 19.475 -5.137 1.00 9.23 N ATOM 366 CA THR A 38 21.565 19.715 -3.790 1.00 9.34 C ATOM 367 C THR A 38 21.208 21.213 -3.542 1.00 9.85 C ATOM 368 O THR A 38 20.382 21.495 -2.714 1.00 9.80 O ATOM 369 CB THR A 38 22.408 19.100 -2.669 1.00 9.30 C ATOM 370 OG1 THR A 38 23.705 19.628 -2.695 1.00 9.06 O ATOM 371 CG2 THR A 38 22.445 17.514 -2.802 1.00 9.34 C ATOM 372 HG1 THR A 38 24.126 19.424 -3.567 1.00 0.00 H ATOM 373 H THR A 38 23.095 19.220 -5.241 1.00 0.00 H ATOM 374 N THR A 39 22.007 22.063 -4.152 1.00 10.32 N ATOM 375 CA THR A 39 21.820 23.569 -3.901 1.00 11.08 C ATOM 376 C THR A 39 20.704 24.148 -4.732 1.00 12.04 C ATOM 377 O THR A 39 20.034 25.038 -4.255 1.00 13.87 O ATOM 378 CB THR A 39 23.056 24.295 -4.200 1.00 11.47 C ATOM 379 OG1 THR A 39 24.143 23.745 -3.443 1.00 12.95 O ATOM 380 CG2 THR A 39 22.948 25.832 -3.835 1.00 16.49 C ATOM 381 HG1 THR A 39 24.259 22.791 -3.680 1.00 0.00 H ATOM 382 H THR A 39 22.752 21.722 -4.793 1.00 0.00 H ATOM 383 N THR A 40 20.515 23.669 -5.950 1.00 12.90 N ATOM 384 CA THR A 40 19.646 24.431 -6.907 1.00 13.71 C ATOM 385 C THR A 40 18.210 24.248 -6.503 1.00 13.87 C ATOM 386 O THR A 40 17.632 23.203 -6.444 1.00 12.91 O ATOM 387 CB THR A 40 19.914 23.963 -8.319 1.00 14.43 C ATOM 388 OG1 THR A 40 21.279 24.155 -8.595 1.00 18.16 O ATOM 389 CG2 THR A 40 19.125 24.777 -9.358 1.00 17.30 C ATOM 390 HG1 THR A 40 21.821 23.630 -7.954 1.00 0.00 H ATOM 391 H THR A 40 20.963 22.776 -6.241 1.00 0.00 H ATOM 392 N SER A 41 17.685 25.344 -5.978 1.00 17.80 N ATOM 393 CA SER A 41 16.376 25.357 -5.350 1.00 20.70 C ATOM 394 C SER A 41 15.349 25.379 -6.487 1.00 26.25 C ATOM 395 O SER A 41 15.672 25.782 -7.603 1.00 25.33 O ATOM 396 CB SER A 41 16.319 26.587 -4.426 1.00 23.28 C ATOM 397 OG SER A 41 15.050 26.801 -3.867 1.00 21.35 O ATOM 398 HG SER A 41 15.078 27.602 -3.286 1.00 0.00 H ATOM 399 H SER A 41 18.230 26.229 -6.017 1.00 0.00 H ATOM 400 N SER A 42 14.127 24.947 -6.194 1.00 29.21 N ATOM 401 CA SER A 42 13.065 24.917 -7.192 1.00 33.09 C ATOM 402 C SER A 42 11.950 25.898 -6.844 1.00 32.10 C ATOM 403 O SER A 42 10.778 25.644 -7.121 1.00 34.70 O ATOM 404 CB SER A 42 12.497 23.503 -7.328 1.00 33.57 C ATOM 405 OG SER A 42 11.451 23.282 -6.397 1.00 37.63 O ATOM 406 HG SER A 42 11.799 23.397 -5.478 1.00 0.00 H ATOM 407 H SER A 42 13.923 24.622 -5.227 1.00 0.00 H ATOM 408 N VAL A 43 12.324 27.020 -6.237 1.00 29.68 N ATOM 409 CA VAL A 43 11.357 28.042 -5.853 1.00 26.42 C ATOM 410 C VAL A 43 12.055 29.313 -5.380 1.00 28.41 C ATOM 411 O VAL A 43 13.264 29.319 -5.145 1.00 29.44 O ATOM 412 CB VAL A 43 10.418 27.541 -4.740 1.00 23.83 C ATOM 413 CG1 VAL A 43 9.365 28.591 -4.423 1.00 26.55 C ATOM 414 CG2 VAL A 43 9.766 26.229 -5.148 1.00 23.24 C ATOM 415 H VAL A 43 13.332 27.173 -6.031 1.00 0.00 H ATOM 416 N GLU A 44 11.286 30.388 -5.243 1.00 28.64 N ATOM 417 CA GLU A 44 11.828 31.666 -4.796 1.00 29.29 C ATOM 418 C GLU A 44 11.696 31.821 -3.285 1.00 26.88 C ATOM 419 O GLU A 44 10.733 31.344 -2.684 1.00 27.36 O ATOM 420 CB GLU A 44 11.125 32.824 -5.507 1.00 31.35 C ATOM 421 CG GLU A 44 9.639 32.603 -5.734 1.00 39.82 C ATOM 422 CD GLU A 44 8.820 32.810 -4.475 1.00 50.69 C ATOM 423 OE1 GLU A 44 8.003 31.925 -4.143 1.00 51.58 O ATOM 424 OE2 GLU A 44 8.992 33.858 -3.818 1.00 54.67 O ATOM 425 H GLU A 44 10.271 30.316 -5.460 1.00 0.00 H ATOM 426 N GLY A 45 12.670 32.490 -2.676 1.00 25.65 N ATOM 427 CA GLY A 45 12.665 32.703 -1.258 1.00 24.26 C ATOM 428 C GLY A 45 12.904 31.452 -0.382 1.00 21.65 C ATOM 429 O GLY A 45 12.704 31.510 0.838 1.00 25.20 O ATOM 430 H GLY A 45 13.456 32.869 -3.242 1.00 0.00 H ATOM 431 N LYS A 46 13.279 30.324 -1.010 1.00 19.47 N ATOM 432 CA LYS A 46 13.489 29.087 -0.230 1.00 16.16 C ATOM 433 C LYS A 46 14.914 28.605 -0.502 1.00 14.34 C ATOM 434 O LYS A 46 15.550 28.973 -1.485 1.00 16.55 O ATOM 435 CB LYS A 46 12.436 28.003 -0.560 1.00 16.11 C ATOM 436 CG LYS A 46 10.986 28.529 -0.372 1.00 18.88 C ATOM 437 CD LYS A 46 9.984 27.435 -0.292 1.00 22.71 C ATOM 438 CE LYS A 46 8.579 28.073 -0.182 1.00 28.48 C ATOM 439 NZ LYS A 46 7.549 26.970 -0.126 1.00 34.56 N ATOM 440 HZ1 LYS A 46 7.610 26.396 -0.991 1.00 0.00 H ATOM 441 HZ2 LYS A 46 7.731 26.369 0.703 1.00 0.00 H ATOM 442 HZ3 LYS A 46 6.599 27.388 -0.052 1.00 0.00 H ATOM 443 H LYS A 46 13.421 30.322 -2.040 1.00 0.00 H ATOM 444 N GLN A 47 15.291 27.658 0.405 1.00 11.97 N ATOM 445 CA GLN A 47 16.569 26.891 0.182 1.00 12.32 C ATOM 446 C GLN A 47 16.118 25.407 0.277 1.00 10.01 C ATOM 447 O GLN A 47 15.158 25.051 0.906 1.00 9.87 O ATOM 448 CB GLN A 47 17.525 27.197 1.352 1.00 12.28 C ATOM 449 CG GLN A 47 18.241 28.523 1.141 1.00 14.62 C ATOM 450 CD GLN A 47 19.447 28.694 2.056 1.00 16.31 C ATOM 451 OE1 GLN A 47 19.730 27.870 2.966 1.00 13.58 O ATOM 452 NE2 GLN A 47 20.188 29.760 1.778 1.00 16.42 N ATOM 453 HE22 GLN A 47 19.904 30.406 1.014 1.00 0.00 H ATOM 454 HE21 GLN A 47 21.053 29.949 2.324 1.00 0.00 H ATOM 455 H GLN A 47 14.703 27.467 1.241 1.00 0.00 H ATOM 456 N ASN A 48 16.981 24.586 -0.349 1.00 10.07 N ATOM 457 CA ASN A 48 16.852 23.164 -0.121 1.00 9.75 C ATOM 458 C ASN A 48 17.355 22.707 1.261 1.00 8.58 C ATOM 459 O ASN A 48 18.216 23.459 1.863 1.00 9.50 O ATOM 460 CB ASN A 48 17.622 22.378 -1.205 1.00 10.44 C ATOM 461 CG ASN A 48 16.999 22.549 -2.609 1.00 9.03 C ATOM 462 OD1 ASN A 48 15.781 22.971 -2.733 1.00 10.17 O ATOM 463 ND2 ASN A 48 17.740 22.237 -3.594 1.00 10.38 N ATOM 464 HD22 ASN A 48 18.711 21.904 -3.429 1.00 0.00 H ATOM 465 HD21 ASN A 48 17.375 22.315 -4.565 1.00 0.00 H ATOM 466 H ASN A 48 17.719 24.963 -0.978 1.00 0.00 H ATOM 467 N LEU A 49 16.792 21.679 1.800 1.00 8.89 N ATOM 468 CA LEU A 49 17.248 21.104 3.104 1.00 9.04 C ATOM 469 C LEU A 49 18.097 19.849 2.803 1.00 9.05 C ATOM 470 O LEU A 49 17.657 19.005 1.955 1.00 10.23 O ATOM 471 CB LEU A 49 16.023 20.645 3.872 1.00 11.75 C ATOM 472 CG LEU A 49 16.255 19.820 5.165 1.00 10.20 C ATOM 473 CD1 LEU A 49 16.867 20.795 6.134 1.00 13.70 C ATOM 474 CD2 LEU A 49 14.920 19.386 5.653 1.00 13.02 C ATOM 475 H LEU A 49 15.991 21.233 1.310 1.00 0.00 H ATOM 476 N VAL A 50 19.136 19.669 3.595 1.00 6.42 N ATOM 477 CA VAL A 50 19.968 18.436 3.442 1.00 6.68 C ATOM 478 C VAL A 50 19.811 17.757 4.720 1.00 6.70 C ATOM 479 O VAL A 50 19.872 18.404 5.802 1.00 7.74 O ATOM 480 CB VAL A 50 21.451 18.681 3.010 1.00 7.34 C ATOM 481 CG1 VAL A 50 21.591 19.199 1.565 1.00 5.21 C ATOM 482 CG2 VAL A 50 22.171 19.514 3.993 1.00 9.49 C ATOM 483 H VAL A 50 19.374 20.377 4.318 1.00 0.00 H ATOM 484 N ILE A 51 19.609 16.504 4.657 1.00 7.88 N ATOM 485 CA ILE A 51 19.467 15.685 5.843 1.00 7.94 C ATOM 486 C ILE A 51 20.566 14.640 5.781 1.00 9.06 C ATOM 487 O ILE A 51 20.763 13.942 4.734 1.00 8.88 O ATOM 488 CB ILE A 51 18.107 14.982 5.886 1.00 8.78 C ATOM 489 CG1 ILE A 51 16.962 16.004 6.005 1.00 8.79 C ATOM 490 CG2 ILE A 51 18.071 13.959 6.999 1.00 9.96 C ATOM 491 CD1 ILE A 51 15.565 15.391 5.965 1.00 9.62 C ATOM 492 H ILE A 51 19.543 16.052 3.723 1.00 0.00 H ATOM 493 N MET A 52 21.298 14.485 6.874 1.00 7.37 N ATOM 494 CA MET A 52 22.393 13.448 6.912 1.00 7.70 C ATOM 495 C MET A 52 22.511 12.919 8.306 1.00 7.44 C ATOM 496 O MET A 52 22.227 13.625 9.316 1.00 8.21 O ATOM 497 CB MET A 52 23.675 14.011 6.452 1.00 7.65 C ATOM 498 CG MET A 52 24.271 15.058 7.413 1.00 8.66 C ATOM 499 SD MET A 52 25.533 16.046 6.605 1.00 11.83 S ATOM 500 CE MET A 52 24.554 17.241 5.753 1.00 13.71 C ATOM 501 H MET A 52 21.117 15.080 7.708 1.00 0.00 H ATOM 502 N GLY A 53 22.965 11.683 8.428 1.00 8.25 N ATOM 503 CA GLY A 53 23.400 11.149 9.734 1.00 8.64 C ATOM 504 C GLY A 53 24.665 11.828 10.235 1.00 7.89 C ATOM 505 O GLY A 53 25.349 12.535 9.550 1.00 8.04 O ATOM 506 H GLY A 53 23.017 11.074 7.586 1.00 0.00 H ATOM 507 N LYS A 54 24.926 11.489 11.498 1.00 9.34 N ATOM 508 CA LYS A 54 26.005 12.151 12.195 1.00 9.49 C ATOM 509 C LYS A 54 27.412 11.808 11.576 1.00 7.96 C ATOM 510 O LYS A 54 28.257 12.661 11.442 1.00 7.92 O ATOM 511 CB LYS A 54 25.962 11.552 13.616 1.00 11.37 C ATOM 512 CG LYS A 54 27.068 12.149 14.491 1.00 10.22 C ATOM 513 CD LYS A 54 26.914 11.617 15.913 1.00 11.20 C ATOM 514 CE LYS A 54 27.376 10.207 16.071 1.00 10.99 C ATOM 515 NZ LYS A 54 27.171 9.726 17.469 1.00 12.38 N ATOM 516 HZ1 LYS A 54 27.710 10.328 18.124 1.00 0.00 H ATOM 517 HZ2 LYS A 54 26.159 9.773 17.706 1.00 0.00 H ATOM 518 HZ3 LYS A 54 27.501 8.743 17.548 1.00 0.00 H ATOM 519 H LYS A 54 24.361 10.758 11.975 1.00 0.00 H ATOM 520 N LYS A 55 27.562 10.517 11.218 1.00 8.14 N ATOM 521 CA LYS A 55 28.850 10.131 10.641 1.00 8.50 C ATOM 522 C LYS A 55 29.082 10.794 9.293 1.00 7.54 C ATOM 523 O LYS A 55 30.167 11.251 8.977 1.00 8.96 O ATOM 524 CB LYS A 55 28.932 8.633 10.516 1.00 9.24 C ATOM 525 CG LYS A 55 29.003 7.950 11.880 1.00 5.84 C ATOM 526 CD LYS A 55 29.372 6.458 11.733 1.00 10.58 C ATOM 527 CE LYS A 55 28.313 5.768 10.952 1.00 14.82 C ATOM 528 NZ LYS A 55 26.979 5.854 11.562 1.00 19.33 N ATOM 529 HZ1 LYS A 55 27.002 5.418 12.506 1.00 0.00 H ATOM 530 HZ2 LYS A 55 26.701 6.853 11.646 1.00 0.00 H ATOM 531 HZ3 LYS A 55 26.293 5.352 10.964 1.00 0.00 H ATOM 532 H LYS A 55 26.796 9.826 11.346 1.00 0.00 H ATOM 533 N THR A 56 28.009 10.950 8.510 1.00 8.47 N ATOM 534 CA THR A 56 28.120 11.656 7.226 1.00 8.84 C ATOM 535 C THR A 56 28.490 13.122 7.448 1.00 7.59 C ATOM 536 O THR A 56 29.373 13.665 6.760 1.00 8.77 O ATOM 537 CB THR A 56 26.787 11.588 6.466 1.00 8.93 C ATOM 538 OG1 THR A 56 26.608 10.159 6.124 1.00 11.07 O ATOM 539 CG2 THR A 56 26.821 12.335 5.136 1.00 11.42 C ATOM 540 HG1 THR A 56 27.364 9.858 5.561 1.00 0.00 H ATOM 541 H THR A 56 27.090 10.569 8.812 1.00 0.00 H ATOM 542 N TRP A 57 27.860 13.845 8.418 1.00 7.53 N ATOM 543 CA TRP A 57 28.270 15.215 8.727 1.00 8.28 C ATOM 544 C TRP A 57 29.734 15.305 8.961 1.00 7.45 C ATOM 545 O TRP A 57 30.426 16.122 8.403 1.00 9.59 O ATOM 546 CB TRP A 57 27.432 15.681 9.933 1.00 7.92 C ATOM 547 CG TRP A 57 27.927 16.994 10.452 1.00 8.58 C ATOM 548 CD1 TRP A 57 28.796 17.168 11.503 1.00 9.06 C ATOM 549 CD2 TRP A 57 27.568 18.303 9.964 1.00 7.70 C ATOM 550 NE1 TRP A 57 29.016 18.532 11.695 1.00 10.00 N ATOM 551 CE2 TRP A 57 28.260 19.233 10.750 1.00 9.06 C ATOM 552 CE3 TRP A 57 26.753 18.756 8.879 1.00 8.80 C ATOM 553 CZ2 TRP A 57 28.197 20.602 10.539 1.00 10.44 C ATOM 554 CZ3 TRP A 57 26.699 20.136 8.659 1.00 9.82 C ATOM 555 CH2 TRP A 57 27.419 21.083 9.503 1.00 11.68 C ATOM 556 HE1 TRP A 57 29.635 18.955 12.416 1.00 0.00 H ATOM 557 H TRP A 57 27.075 13.415 8.947 1.00 0.00 H ATOM 558 N PHE A 58 30.233 14.445 9.872 1.00 7.85 N ATOM 559 CA PHE A 58 31.676 14.572 10.258 1.00 9.67 C ATOM 560 C PHE A 58 32.590 14.013 9.157 1.00 10.17 C ATOM 561 O PHE A 58 33.816 14.315 9.310 1.00 14.52 O ATOM 562 CB PHE A 58 31.888 13.867 11.630 1.00 9.81 C ATOM 563 CG PHE A 58 31.296 14.685 12.784 1.00 8.05 C ATOM 564 CD1 PHE A 58 30.173 14.359 13.392 1.00 8.42 C ATOM 565 CD2 PHE A 58 31.937 15.906 13.168 1.00 10.36 C ATOM 566 CE1 PHE A 58 29.635 15.158 14.427 1.00 9.79 C ATOM 567 CE2 PHE A 58 31.425 16.669 14.189 1.00 10.45 C ATOM 568 CZ PHE A 58 30.284 16.296 14.826 1.00 11.23 C ATOM 569 H PHE A 58 29.631 13.711 10.297 1.00 0.00 H ATOM 570 N SER A 59 32.106 13.335 8.152 1.00 10.38 N ATOM 571 CA SER A 59 32.919 12.909 6.973 1.00 12.59 C ATOM 572 C SER A 59 33.123 14.041 6.017 1.00 16.45 C ATOM 573 O SER A 59 34.019 13.962 5.126 1.00 18.82 O ATOM 574 CB SER A 59 32.287 11.776 6.260 1.00 13.50 C ATOM 575 OG SER A 59 31.207 12.168 5.423 1.00 14.61 O ATOM 576 HG SER A 59 30.507 12.603 5.972 1.00 0.00 H ATOM 577 H SER A 59 31.099 13.077 8.173 1.00 0.00 H ATOM 578 N ILE A 60 32.404 15.149 6.162 1.00 16.62 N ATOM 579 CA ILE A 60 32.522 16.271 5.203 1.00 18.29 C ATOM 580 C ILE A 60 33.616 17.154 5.796 1.00 18.51 C ATOM 581 O ILE A 60 33.697 17.422 6.977 1.00 18.32 O ATOM 582 CB ILE A 60 31.183 17.034 5.123 1.00 17.79 C ATOM 583 CG1 ILE A 60 30.095 16.197 4.516 1.00 17.75 C ATOM 584 CG2 ILE A 60 31.374 18.331 4.223 1.00 19.34 C ATOM 585 CD1 ILE A 60 28.659 16.748 4.725 1.00 22.60 C ATOM 586 H ILE A 60 31.746 15.230 6.964 1.00 0.00 H ATOM 587 N PRO A 61 34.593 17.482 4.899 1.00 24.78 N ATOM 588 CA PRO A 61 35.678 18.389 5.183 1.00 25.43 C ATOM 589 C PRO A 61 35.116 19.652 5.828 1.00 25.36 C ATOM 590 O PRO A 61 34.127 20.176 5.296 1.00 22.85 O ATOM 591 CB PRO A 61 36.228 18.699 3.762 1.00 27.19 C ATOM 592 CG PRO A 61 35.879 17.475 2.907 1.00 26.81 C ATOM 593 CD PRO A 61 34.453 17.206 3.451 1.00 24.73 C ATOM 594 N GLU A 62 35.678 20.067 6.970 1.00 27.90 N ATOM 595 CA GLU A 62 35.244 21.301 7.689 1.00 29.10 C ATOM 596 C GLU A 62 35.044 22.503 6.757 1.00 27.75 C ATOM 597 O GLU A 62 34.115 23.253 6.968 1.00 25.61 O ATOM 598 CB GLU A 62 36.153 21.726 8.900 1.00 30.59 C ATOM 599 CG GLU A 62 35.740 21.171 10.316 1.00 35.61 C ATOM 600 CD GLU A 62 36.815 21.313 11.448 1.00 44.49 C ATOM 601 OE1 GLU A 62 37.502 20.298 11.793 1.00 44.80 O ATOM 602 OE2 GLU A 62 36.947 22.432 12.036 1.00 44.86 O ATOM 603 H GLU A 62 36.453 19.504 7.375 1.00 0.00 H ATOM 604 N LYS A 63 35.904 22.684 5.749 1.00 30.13 N ATOM 605 CA LYS A 63 35.819 23.855 4.882 1.00 30.90 C ATOM 606 C LYS A 63 34.525 23.758 4.114 1.00 29.64 C ATOM 607 O LYS A 63 33.963 24.735 3.597 1.00 29.08 O ATOM 608 CB LYS A 63 37.031 23.925 3.935 1.00 31.98 C ATOM 609 CG LYS A 63 36.842 23.170 2.608 1.00 37.36 C ATOM 610 CD LYS A 63 37.772 23.753 1.483 1.00 44.24 C ATOM 611 CE LYS A 63 38.199 22.647 0.506 1.00 47.24 C ATOM 612 NZ LYS A 63 38.719 23.221 -0.774 1.00 50.88 N ATOM 613 HZ1 LYS A 63 37.975 23.791 -1.224 1.00 0.00 H ATOM 614 HZ2 LYS A 63 39.544 23.822 -0.573 1.00 0.00 H ATOM 615 HZ3 LYS A 63 38.998 22.448 -1.411 1.00 0.00 H ATOM 616 H LYS A 63 36.648 21.977 5.580 1.00 0.00 H ATOM 617 N ASN A 64 33.979 22.544 4.102 1.00 27.01 N ATOM 618 CA ASN A 64 32.865 22.308 3.248 1.00 26.02 C ATOM 619 C ASN A 64 31.569 22.201 4.034 1.00 21.55 C ATOM 620 O ASN A 64 30.513 21.905 3.452 1.00 23.93 O ATOM 621 CB ASN A 64 33.057 20.949 2.522 1.00 27.85 C ATOM 622 CG ASN A 64 34.125 20.967 1.422 1.00 31.30 C ATOM 623 OD1 ASN A 64 33.845 21.409 0.300 1.00 40.33 O ATOM 624 ND2 ASN A 64 35.327 20.390 1.709 1.00 28.40 N ATOM 625 HD22 ASN A 64 35.517 20.033 2.667 1.00 0.00 H ATOM 626 HD21 ASN A 64 36.054 20.307 0.970 1.00 0.00 H ATOM 627 H ASN A 64 34.358 21.785 4.703 1.00 0.00 H ATOM 628 N ARG A 65 31.641 22.381 5.373 1.00 17.14 N ATOM 629 CA ARG A 65 30.506 22.235 6.300 1.00 18.73 C ATOM 630 C ARG A 65 30.193 23.546 6.966 1.00 17.29 C ATOM 631 O ARG A 65 31.175 24.205 7.394 1.00 22.42 O ATOM 632 CB ARG A 65 30.947 21.406 7.485 1.00 21.79 C ATOM 633 CG ARG A 65 30.684 20.075 7.317 1.00 26.91 C ATOM 634 CD ARG A 65 31.195 19.196 8.443 1.00 20.65 C ATOM 635 NE ARG A 65 31.744 19.571 9.733 1.00 21.65 N ATOM 636 CZ ARG A 65 32.788 18.955 10.347 1.00 17.94 C ATOM 637 NH1 ARG A 65 33.150 19.181 11.593 1.00 19.74 N ATOM 638 NH2 ARG A 65 33.502 18.018 9.668 1.00 19.57 N ATOM 639 HE ARG A 65 31.304 20.374 10.226 1.00 0.00 H ATOM 640 HH12 ARG A 65 33.961 18.672 11.999 1.00 0.00 H ATOM 641 HH11 ARG A 65 32.625 19.868 12.171 1.00 0.00 H ATOM 642 HH22 ARG A 65 34.303 17.540 10.128 1.00 0.00 H ATOM 643 HH21 ARG A 65 33.247 17.779 8.688 1.00 0.00 H ATOM 644 H ARG A 65 32.564 22.641 5.776 1.00 0.00 H ATOM 645 N PRO A 66 28.902 23.894 7.189 1.00 13.91 N ATOM 646 CA PRO A 66 27.732 23.285 6.557 1.00 12.44 C ATOM 647 C PRO A 66 27.867 23.447 5.054 1.00 11.81 C ATOM 648 O PRO A 66 28.651 24.265 4.490 1.00 12.70 O ATOM 649 CB PRO A 66 26.572 24.158 7.118 1.00 11.33 C ATOM 650 CG PRO A 66 27.231 25.556 7.331 1.00 11.76 C ATOM 651 CD PRO A 66 28.575 25.171 7.877 1.00 14.34 C ATOM 652 N LEU A 67 27.055 22.653 4.364 1.00 9.45 N ATOM 653 CA LEU A 67 26.931 22.826 2.897 1.00 11.38 C ATOM 654 C LEU A 67 26.270 24.187 2.660 1.00 10.48 C ATOM 655 O LEU A 67 25.118 24.418 3.080 1.00 10.27 O ATOM 656 CB LEU A 67 26.121 21.671 2.377 1.00 12.15 C ATOM 657 CG LEU A 67 26.839 20.271 2.536 1.00 12.04 C ATOM 658 CD1 LEU A 67 25.859 19.161 2.112 1.00 12.38 C ATOM 659 CD2 LEU A 67 28.025 20.173 1.614 1.00 16.87 C ATOM 660 H LEU A 67 26.509 21.914 4.851 1.00 0.00 H ATOM 661 N LYS A 68 26.995 25.084 2.024 1.00 11.27 N ATOM 662 CA LYS A 68 26.505 26.416 1.922 1.00 11.20 C ATOM 663 C LYS A 68 25.291 26.584 1.073 1.00 11.49 C ATOM 664 O LYS A 68 25.066 25.815 0.114 1.00 11.72 O ATOM 665 CB LYS A 68 27.590 27.308 1.319 1.00 14.87 C ATOM 666 CG LYS A 68 28.795 27.471 2.292 1.00 21.45 C ATOM 667 CD LYS A 68 29.681 28.625 1.770 1.00 31.01 C ATOM 668 CE LYS A 68 30.684 29.091 2.856 1.00 36.51 C ATOM 669 NZ LYS A 68 31.612 27.939 3.139 1.00 38.09 N ATOM 670 HZ1 LYS A 68 31.060 27.126 3.478 1.00 0.00 H ATOM 671 HZ2 LYS A 68 32.115 27.678 2.267 1.00 0.00 H ATOM 672 HZ3 LYS A 68 32.300 28.220 3.866 1.00 0.00 H ATOM 673 H LYS A 68 27.910 24.823 1.604 1.00 0.00 H ATOM 674 N GLY A 69 24.425 27.541 1.380 1.00 10.94 N ATOM 675 CA GLY A 69 23.249 27.808 0.585 1.00 11.68 C ATOM 676 C GLY A 69 22.148 26.762 0.738 1.00 9.56 C ATOM 677 O GLY A 69 21.169 26.821 -0.016 1.00 11.91 O ATOM 678 H GLY A 69 24.600 28.121 2.225 1.00 0.00 H ATOM 679 N ARG A 70 22.294 25.852 1.674 1.00 8.70 N ATOM 680 CA ARG A 70 21.322 24.841 2.046 1.00 8.65 C ATOM 681 C ARG A 70 21.100 24.791 3.516 1.00 8.13 C ATOM 682 O ARG A 70 22.047 25.150 4.278 1.00 9.95 O ATOM 683 CB ARG A 70 21.830 23.418 1.564 1.00 8.77 C ATOM 684 CG ARG A 70 21.782 23.232 0.010 1.00 8.76 C ATOM 685 CD ARG A 70 22.995 22.398 -0.476 1.00 9.34 C ATOM 686 NE ARG A 70 24.246 23.091 -0.413 1.00 10.90 N ATOM 687 CZ ARG A 70 25.382 22.648 -0.867 1.00 10.65 C ATOM 688 NH1 ARG A 70 25.447 21.387 -1.327 1.00 11.76 N ATOM 689 NH2 ARG A 70 26.469 23.401 -0.859 1.00 12.30 N ATOM 690 HE ARG A 70 24.247 24.030 0.034 1.00 0.00 H ATOM 691 HH12 ARG A 70 26.345 21.013 -1.694 1.00 0.00 H ATOM 692 HH11 ARG A 70 24.599 20.785 -1.316 1.00 0.00 H ATOM 693 HH22 ARG A 70 27.365 23.024 -1.228 1.00 0.00 H ATOM 694 HH21 ARG A 70 26.427 24.370 -0.484 1.00 0.00 H ATOM 695 H ARG A 70 23.192 25.857 2.199 1.00 0.00 H ATOM 696 N ILE A 71 19.945 24.425 4.020 1.00 8.51 N ATOM 697 CA ILE A 71 19.724 24.235 5.424 1.00 8.72 C ATOM 698 C ILE A 71 20.269 22.872 5.781 1.00 8.95 C ATOM 699 O ILE A 71 19.942 21.876 5.070 1.00 8.82 O ATOM 700 CB ILE A 71 18.261 24.359 5.776 1.00 9.49 C ATOM 701 CG1 ILE A 71 17.754 25.763 5.402 1.00 9.61 C ATOM 702 CG2 ILE A 71 17.968 24.044 7.170 1.00 9.30 C ATOM 703 CD1 ILE A 71 16.213 25.862 5.276 1.00 17.44 C ATOM 704 H ILE A 71 19.150 24.265 3.369 1.00 0.00 H ATOM 705 N ASN A 72 21.059 22.770 6.831 1.00 7.07 N ATOM 706 CA ASN A 72 21.782 21.456 7.139 1.00 7.38 C ATOM 707 C ASN A 72 21.189 20.865 8.358 1.00 7.89 C ATOM 708 O ASN A 72 21.264 21.477 9.496 1.00 8.92 O ATOM 709 CB ASN A 72 23.250 21.690 7.337 1.00 8.36 C ATOM 710 CG ASN A 72 24.038 22.000 6.091 1.00 9.13 C ATOM 711 OD1 ASN A 72 25.068 21.325 5.833 1.00 9.53 O ATOM 712 ND2 ASN A 72 23.637 22.980 5.278 1.00 9.42 N ATOM 713 HD22 ASN A 72 22.783 23.528 5.506 1.00 0.00 H ATOM 714 HD21 ASN A 72 24.178 23.195 4.416 1.00 0.00 H ATOM 715 H ASN A 72 21.193 23.590 7.456 1.00 0.00 H ATOM 716 N LEU A 73 20.628 19.685 8.292 1.00 7.90 N ATOM 717 CA LEU A 73 20.012 18.980 9.387 1.00 7.95 C ATOM 718 C LEU A 73 20.682 17.701 9.641 1.00 8.27 C ATOM 719 O LEU A 73 20.899 16.909 8.672 1.00 8.86 O ATOM 720 CB LEU A 73 18.490 18.843 9.159 1.00 7.98 C ATOM 721 CG LEU A 73 17.678 18.250 10.222 1.00 9.18 C ATOM 722 CD1 LEU A 73 16.243 18.688 10.055 1.00 10.47 C ATOM 723 CD2 LEU A 73 17.747 16.661 10.295 1.00 11.59 C ATOM 724 H LEU A 73 20.627 19.213 7.365 1.00 0.00 H ATOM 725 N VAL A 74 21.114 17.456 10.856 1.00 7.69 N ATOM 726 CA VAL A 74 21.836 16.207 11.249 1.00 8.22 C ATOM 727 C VAL A 74 20.925 15.329 12.041 1.00 8.99 C ATOM 728 O VAL A 74 20.160 15.781 12.960 1.00 9.84 O ATOM 729 CB VAL A 74 23.114 16.558 12.010 1.00 7.55 C ATOM 730 CG1 VAL A 74 23.836 15.241 12.526 1.00 10.90 C ATOM 731 CG2 VAL A 74 24.001 17.369 11.184 1.00 9.16 C ATOM 732 H VAL A 74 20.944 18.174 11.589 1.00 0.00 H ATOM 733 N LEU A 75 20.934 14.027 11.808 1.00 8.29 N ATOM 734 CA LEU A 75 20.148 13.010 12.517 1.00 8.51 C ATOM 735 C LEU A 75 21.067 12.367 13.560 1.00 9.25 C ATOM 736 O LEU A 75 22.160 11.847 13.248 1.00 10.73 O ATOM 737 CB LEU A 75 19.698 11.899 11.581 1.00 9.16 C ATOM 738 CG LEU A 75 18.800 12.400 10.467 1.00 9.03 C ATOM 739 CD1 LEU A 75 18.438 11.241 9.468 1.00 12.40 C ATOM 740 CD2 LEU A 75 17.508 13.143 10.931 1.00 12.34 C ATOM 741 H LEU A 75 21.559 13.691 11.048 1.00 0.00 H ATOM 742 N SER A 76 20.625 12.344 14.801 1.00 9.10 N ATOM 743 CA SER A 76 21.318 11.659 15.886 1.00 9.75 C ATOM 744 C SER A 76 20.384 11.540 17.085 1.00 10.78 C ATOM 745 O SER A 76 19.679 12.473 17.424 1.00 11.76 O ATOM 746 CB SER A 76 22.577 12.486 16.268 1.00 11.03 C ATOM 747 OG SER A 76 23.206 11.869 17.425 1.00 10.09 O ATOM 748 HG SER A 76 24.010 12.388 17.678 1.00 0.00 H ATOM 749 H SER A 76 19.737 12.840 15.018 1.00 0.00 H ATOM 750 N ARG A 77 20.494 10.413 17.785 1.00 12.45 N ATOM 751 CA ARG A 77 19.836 10.271 19.133 1.00 12.54 C ATOM 752 C ARG A 77 20.839 10.551 20.212 1.00 14.79 C ATOM 753 O ARG A 77 20.420 10.883 21.359 1.00 18.54 O ATOM 754 CB ARG A 77 19.373 8.852 19.238 1.00 15.28 C ATOM 755 CG ARG A 77 18.086 8.673 18.413 1.00 16.54 C ATOM 756 CD ARG A 77 17.548 7.262 18.637 1.00 21.27 C ATOM 757 NE ARG A 77 17.817 6.693 17.374 1.00 34.87 N ATOM 758 CZ ARG A 77 16.977 6.646 16.344 1.00 33.90 C ATOM 759 NH1 ARG A 77 15.691 6.972 16.478 1.00 41.07 N ATOM 760 NH2 ARG A 77 17.455 6.191 15.199 1.00 36.54 N ATOM 761 HE ARG A 77 18.758 6.272 17.236 1.00 0.00 H ATOM 762 HH12 ARG A 77 15.055 6.927 15.657 1.00 0.00 H ATOM 763 HH11 ARG A 77 15.324 7.271 17.404 1.00 0.00 H ATOM 764 HH22 ARG A 77 16.838 6.135 14.364 1.00 0.00 H ATOM 765 HH21 ARG A 77 18.448 5.889 15.133 1.00 0.00 H ATOM 766 H ARG A 77 21.042 9.619 17.396 1.00 0.00 H ATOM 767 N GLU A 78 22.140 10.457 19.977 1.00 12.46 N ATOM 768 CA GLU A 78 23.135 10.764 20.998 1.00 13.00 C ATOM 769 C GLU A 78 23.378 12.250 21.211 1.00 13.63 C ATOM 770 O GLU A 78 23.522 12.735 22.340 1.00 15.00 O ATOM 771 CB GLU A 78 24.501 10.098 20.673 1.00 15.75 C ATOM 772 CG GLU A 78 24.754 8.585 20.786 1.00 19.12 C ATOM 773 CD GLU A 78 26.412 8.364 20.698 1.00 19.45 C ATOM 774 OE1 GLU A 78 26.997 9.105 19.999 1.00 28.37 O ATOM 775 OE2 GLU A 78 27.021 7.523 21.352 1.00 28.41 O ATOM 776 H GLU A 78 22.461 10.155 19.035 1.00 0.00 H ATOM 777 N LEU A 79 23.458 13.010 20.129 1.00 11.98 N ATOM 778 CA LEU A 79 23.692 14.442 20.204 1.00 12.63 C ATOM 779 C LEU A 79 22.472 15.106 20.875 1.00 12.11 C ATOM 780 O LEU A 79 21.366 14.719 20.650 1.00 16.44 O ATOM 781 CB LEU A 79 23.956 15.054 18.813 1.00 10.70 C ATOM 782 CG LEU A 79 25.140 14.481 18.028 1.00 10.93 C ATOM 783 CD1 LEU A 79 25.313 15.308 16.771 1.00 13.97 C ATOM 784 CD2 LEU A 79 26.508 14.684 18.857 1.00 13.95 C ATOM 785 H LEU A 79 23.350 12.567 19.194 1.00 0.00 H ATOM 786 N LYS A 80 22.813 16.130 21.592 1.00 15.62 N ATOM 787 CA LYS A 80 21.678 16.854 22.225 1.00 16.91 C ATOM 788 C LYS A 80 21.472 18.228 21.668 1.00 16.03 C ATOM 789 O LYS A 80 20.444 18.886 21.934 1.00 17.67 O ATOM 790 CB LYS A 80 21.893 16.931 23.751 1.00 20.09 C ATOM 791 CG LYS A 80 21.897 15.500 24.360 1.00 24.32 C ATOM 792 CD LYS A 80 20.490 15.144 24.660 1.00 30.47 C ATOM 793 CE LYS A 80 19.899 14.359 23.556 1.00 21.84 C ATOM 794 NZ LYS A 80 20.283 12.922 23.868 1.00 30.23 N ATOM 795 HZ1 LYS A 80 21.319 12.839 23.894 1.00 0.00 H ATOM 796 HZ2 LYS A 80 19.889 12.652 24.792 1.00 0.00 H ATOM 797 HZ3 LYS A 80 19.902 12.295 23.131 1.00 0.00 H ATOM 798 H LYS A 80 23.803 16.423 21.715 1.00 0.00 H ATOM 799 N GLU A 81 22.360 18.678 20.797 1.00 12.62 N ATOM 800 CA GLU A 81 22.190 19.907 19.997 1.00 11.03 C ATOM 801 C GLU A 81 22.839 19.759 18.615 1.00 11.22 C ATOM 802 O GLU A 81 23.727 18.868 18.457 1.00 10.91 O ATOM 803 CB GLU A 81 22.799 21.130 20.742 1.00 11.84 C ATOM 804 CG GLU A 81 24.297 20.935 20.979 1.00 11.53 C ATOM 805 CD GLU A 81 24.785 22.123 21.810 1.00 14.13 C ATOM 806 OE1 GLU A 81 25.075 23.108 21.163 1.00 12.10 O ATOM 807 OE2 GLU A 81 24.811 22.010 23.038 1.00 17.50 O ATOM 808 H GLU A 81 23.235 18.130 20.667 1.00 0.00 H ATOM 809 N PRO A 82 22.540 20.579 17.631 1.00 9.97 N ATOM 810 CA PRO A 82 23.193 20.450 16.343 1.00 10.33 C ATOM 811 C PRO A 82 24.708 20.579 16.483 1.00 10.07 C ATOM 812 O PRO A 82 25.220 21.383 17.272 1.00 10.80 O ATOM 813 CB PRO A 82 22.614 21.621 15.529 1.00 11.02 C ATOM 814 CG PRO A 82 21.269 21.902 16.169 1.00 12.52 C ATOM 815 CD PRO A 82 21.459 21.602 17.647 1.00 11.45 C ATOM 816 N PRO A 83 25.530 19.802 15.736 1.00 9.37 N ATOM 817 CA PRO A 83 26.952 20.055 15.760 1.00 9.40 C ATOM 818 C PRO A 83 27.338 21.468 15.358 1.00 9.53 C ATOM 819 O PRO A 83 26.559 22.184 14.690 1.00 10.24 O ATOM 820 CB PRO A 83 27.525 19.081 14.680 1.00 12.46 C ATOM 821 CG PRO A 83 26.468 18.118 14.529 1.00 13.05 C ATOM 822 CD PRO A 83 25.116 18.694 14.851 1.00 9.54 C ATOM 823 N GLN A 84 28.564 21.890 15.732 1.00 9.48 N ATOM 824 CA GLN A 84 29.098 23.132 15.289 1.00 9.99 C ATOM 825 C GLN A 84 28.938 23.298 13.813 1.00 9.59 C ATOM 826 O GLN A 84 29.404 22.500 13.030 1.00 10.14 O ATOM 827 CB GLN A 84 30.573 23.209 15.728 1.00 13.29 C ATOM 828 CG GLN A 84 31.326 24.439 15.309 1.00 16.05 C ATOM 829 CD GLN A 84 32.755 24.462 15.800 1.00 21.80 C ATOM 830 OE1 GLN A 84 33.294 23.488 16.257 1.00 20.33 O ATOM 831 NE2 GLN A 84 33.365 25.641 15.728 1.00 24.84 N ATOM 832 HE22 GLN A 84 32.867 26.461 15.326 1.00 0.00 H ATOM 833 HE21 GLN A 84 34.341 25.744 16.073 1.00 0.00 H ATOM 834 H GLN A 84 29.135 21.290 16.362 1.00 0.00 H ATOM 835 N GLY A 85 28.313 24.404 13.386 1.00 9.73 N ATOM 836 CA GLY A 85 28.078 24.747 11.958 1.00 9.11 C ATOM 837 C GLY A 85 26.802 24.182 11.388 1.00 9.00 C ATOM 838 O GLY A 85 26.347 24.683 10.324 1.00 12.11 O ATOM 839 H GLY A 85 27.967 25.071 14.105 1.00 0.00 H ATOM 840 N ALA A 86 26.150 23.239 11.986 1.00 8.37 N ATOM 841 CA ALA A 86 24.882 22.735 11.497 1.00 9.89 C ATOM 842 C ALA A 86 23.736 23.591 11.940 1.00 11.09 C ATOM 843 O ALA A 86 23.889 24.365 12.939 1.00 12.03 O ATOM 844 CB ALA A 86 24.652 21.219 12.002 1.00 10.53 C ATOM 845 H ALA A 86 26.551 22.826 12.852 1.00 0.00 H ATOM 846 N HIS A 87 22.597 23.406 11.354 1.00 8.51 N ATOM 847 CA HIS A 87 21.403 24.233 11.711 1.00 8.98 C ATOM 848 C HIS A 87 20.403 23.543 12.482 1.00 9.60 C ATOM 849 O HIS A 87 19.698 24.175 13.365 1.00 11.65 O ATOM 850 CB HIS A 87 20.741 24.774 10.400 1.00 8.96 C ATOM 851 CG HIS A 87 21.684 25.434 9.489 1.00 7.17 C ATOM 852 ND1 HIS A 87 22.569 26.486 9.739 1.00 12.84 N ATOM 853 CD2 HIS A 87 21.860 25.156 8.173 1.00 6.64 C ATOM 854 CE1 HIS A 87 23.193 26.816 8.641 1.00 7.02 C ATOM 855 NE2 HIS A 87 22.783 25.968 7.658 1.00 11.56 N ATOM 856 H HIS A 87 22.511 22.671 10.623 1.00 0.00 H ATOM 857 N PHE A 88 20.087 22.280 12.296 1.00 8.77 N ATOM 858 CA PHE A 88 19.012 21.570 12.953 1.00 9.70 C ATOM 859 C PHE A 88 19.513 20.166 13.321 1.00 10.42 C ATOM 860 O PHE A 88 20.474 19.626 12.691 1.00 9.11 O ATOM 861 CB PHE A 88 17.777 21.463 12.044 1.00 11.59 C ATOM 862 CG PHE A 88 17.071 22.773 11.810 1.00 11.40 C ATOM 863 CD1 PHE A 88 16.183 23.260 12.814 1.00 14.00 C ATOM 864 CD2 PHE A 88 17.344 23.516 10.713 1.00 10.66 C ATOM 865 CE1 PHE A 88 15.571 24.524 12.614 1.00 12.90 C ATOM 866 CE2 PHE A 88 16.714 24.776 10.521 1.00 10.50 C ATOM 867 CZ PHE A 88 15.865 25.250 11.509 1.00 12.97 C ATOM 868 H PHE A 88 20.662 21.744 11.615 1.00 0.00 H ATOM 869 N LEU A 89 18.863 19.556 14.289 1.00 11.59 N ATOM 870 CA LEU A 89 19.058 18.243 14.810 1.00 10.47 C ATOM 871 C LEU A 89 17.751 17.531 14.912 1.00 12.77 C ATOM 872 O LEU A 89 16.814 18.097 15.575 1.00 15.01 O ATOM 873 CB LEU A 89 19.730 18.291 16.187 1.00 10.75 C ATOM 874 CG LEU A 89 19.837 16.978 16.937 1.00 12.30 C ATOM 875 CD1 LEU A 89 20.768 15.951 16.328 1.00 11.48 C ATOM 876 CD2 LEU A 89 20.365 17.315 18.383 1.00 12.87 C ATOM 877 H LEU A 89 18.103 20.107 14.735 1.00 0.00 H ATOM 878 N SER A 90 17.566 16.304 14.460 1.00 10.61 N ATOM 879 CA SER A 90 16.410 15.498 14.756 1.00 12.28 C ATOM 880 C SER A 90 16.839 14.082 15.167 1.00 11.61 C ATOM 881 O SER A 90 17.918 13.612 14.716 1.00 11.31 O ATOM 882 CB SER A 90 15.501 15.314 13.522 1.00 11.99 C ATOM 883 OG SER A 90 14.996 16.567 13.037 1.00 15.77 O ATOM 884 HG SER A 90 14.467 17.006 13.749 1.00 0.00 H ATOM 885 H SER A 90 18.302 15.893 13.851 1.00 0.00 H ATOM 886 N ARG A 91 15.980 13.348 15.889 1.00 12.30 N ATOM 887 CA ARG A 91 16.341 12.040 16.329 1.00 13.87 C ATOM 888 C ARG A 91 16.263 11.063 15.188 1.00 17.31 C ATOM 889 O ARG A 91 16.965 10.025 15.225 1.00 20.64 O ATOM 890 CB ARG A 91 15.507 11.603 17.542 1.00 14.61 C ATOM 891 CG ARG A 91 15.798 12.288 18.730 1.00 17.56 C ATOM 892 CD ARG A 91 14.756 11.722 19.839 1.00 22.20 C ATOM 893 NE ARG A 91 14.780 10.265 20.050 1.00 25.89 N ATOM 894 CZ ARG A 91 15.619 9.646 20.905 1.00 27.77 C ATOM 895 NH1 ARG A 91 15.534 8.313 21.043 1.00 33.62 N ATOM 896 NH2 ARG A 91 16.518 10.336 21.593 1.00 22.01 N ATOM 897 HE ARG A 91 14.112 9.680 19.509 1.00 0.00 H ATOM 898 HH12 ARG A 91 16.172 7.816 21.697 1.00 0.00 H ATOM 899 HH11 ARG A 91 14.830 7.777 20.496 1.00 0.00 H ATOM 900 HH22 ARG A 91 17.159 9.846 22.249 1.00 0.00 H ATOM 901 HH21 ARG A 91 16.582 11.367 21.477 1.00 0.00 H ATOM 902 H ARG A 91 15.045 13.735 16.130 1.00 0.00 H ATOM 903 N SER A 92 15.390 11.292 14.212 1.00 15.49 N ATOM 904 CA SER A 92 15.162 10.320 13.178 1.00 16.28 C ATOM 905 C SER A 92 14.694 11.008 11.934 1.00 16.53 C ATOM 906 O SER A 92 14.304 12.186 11.932 1.00 14.32 O ATOM 907 CB SER A 92 14.066 9.415 13.674 1.00 19.30 C ATOM 908 OG SER A 92 12.802 10.011 13.663 1.00 20.20 O ATOM 909 HG SER A 92 12.131 9.365 13.999 1.00 0.00 H ATOM 910 H SER A 92 14.864 12.189 14.196 1.00 0.00 H ATOM 911 N LEU A 93 14.812 10.299 10.837 1.00 16.88 N ATOM 912 CA LEU A 93 14.316 10.810 9.596 1.00 15.08 C ATOM 913 C LEU A 93 12.813 11.199 9.680 1.00 15.38 C ATOM 914 O LEU A 93 12.466 12.293 9.186 1.00 14.68 O ATOM 915 CB LEU A 93 14.619 9.793 8.447 1.00 18.06 C ATOM 916 CG LEU A 93 14.084 10.315 7.133 1.00 15.89 C ATOM 917 CD1 LEU A 93 14.842 11.551 6.681 1.00 15.98 C ATOM 918 CD2 LEU A 93 14.335 9.124 6.070 1.00 18.28 C ATOM 919 H LEU A 93 15.267 9.364 10.869 1.00 0.00 H ATOM 920 N ASP A 94 11.975 10.359 10.314 1.00 17.87 N ATOM 921 CA ASP A 94 10.551 10.744 10.303 1.00 18.46 C ATOM 922 C ASP A 94 10.339 12.051 11.058 1.00 16.95 C ATOM 923 O ASP A 94 9.572 12.941 10.665 1.00 16.99 O ATOM 924 CB ASP A 94 9.696 9.635 10.942 1.00 23.35 C ATOM 925 CG ASP A 94 9.669 8.331 10.118 1.00 27.81 C ATOM 926 OD1 ASP A 94 9.374 7.306 10.781 1.00 32.85 O ATOM 927 OD2 ASP A 94 10.013 8.278 8.889 1.00 28.60 O ATOM 928 H ASP A 94 12.310 9.493 10.782 1.00 0.00 H ATOM 929 N ASP A 95 11.117 12.193 12.153 1.00 16.41 N ATOM 930 CA ASP A 95 11.041 13.408 12.905 1.00 16.21 C ATOM 931 C ASP A 95 11.508 14.584 12.116 1.00 14.99 C ATOM 932 O ASP A 95 10.941 15.677 12.182 1.00 15.52 O ATOM 933 CB ASP A 95 11.811 13.385 14.262 1.00 17.46 C ATOM 934 CG ASP A 95 11.221 12.478 15.322 1.00 21.17 C ATOM 935 OD1 ASP A 95 10.085 11.974 15.129 1.00 23.28 O ATOM 936 OD2 ASP A 95 11.888 12.384 16.387 1.00 20.07 O ATOM 937 H ASP A 95 11.761 11.431 12.445 1.00 0.00 H ATOM 938 N ALA A 96 12.605 14.455 11.340 1.00 13.57 N ATOM 939 CA ALA A 96 13.074 15.537 10.514 1.00 13.44 C ATOM 940 C ALA A 96 12.006 16.008 9.504 1.00 14.67 C ATOM 941 O ALA A 96 11.847 17.176 9.192 1.00 13.49 O ATOM 942 CB ALA A 96 14.408 15.106 9.800 1.00 12.68 C ATOM 943 H ALA A 96 13.123 13.553 11.339 1.00 0.00 H ATOM 944 N LEU A 97 11.419 15.026 8.844 1.00 14.73 N ATOM 945 CA LEU A 97 10.373 15.349 7.834 1.00 16.78 C ATOM 946 C LEU A 97 9.164 16.041 8.491 1.00 18.50 C ATOM 947 O LEU A 97 8.645 17.013 7.935 1.00 20.59 O ATOM 948 CB LEU A 97 10.034 14.101 7.046 1.00 17.44 C ATOM 949 CG LEU A 97 11.232 13.514 6.273 1.00 15.92 C ATOM 950 CD1 LEU A 97 10.742 12.246 5.556 1.00 20.36 C ATOM 951 CD2 LEU A 97 11.807 14.464 5.234 1.00 19.70 C ATOM 952 H LEU A 97 11.684 14.037 9.028 1.00 0.00 H ATOM 953 N LYS A 98 8.791 15.593 9.692 1.00 18.38 N ATOM 954 CA LYS A 98 7.741 16.323 10.457 1.00 20.39 C ATOM 955 C LYS A 98 8.140 17.720 10.747 1.00 21.70 C ATOM 956 O LYS A 98 7.355 18.653 10.637 1.00 23.80 O ATOM 957 CB LYS A 98 7.439 15.619 11.779 1.00 20.95 C ATOM 958 CG LYS A 98 6.701 14.293 11.643 1.00 31.95 C ATOM 959 CD LYS A 98 6.822 13.457 12.971 1.00 37.94 C ATOM 960 CE LYS A 98 7.119 11.953 12.671 1.00 39.78 C ATOM 961 NZ LYS A 98 7.897 11.294 13.800 1.00 37.79 N ATOM 962 HZ1 LYS A 98 8.804 11.787 13.928 1.00 0.00 H ATOM 963 HZ2 LYS A 98 7.344 11.349 14.679 1.00 0.00 H ATOM 964 HZ3 LYS A 98 8.074 10.297 13.562 1.00 0.00 H ATOM 965 H LYS A 98 9.231 14.739 10.091 1.00 0.00 H ATOM 966 N LEU A 99 9.397 17.963 11.114 1.00 19.20 N ATOM 967 CA LEU A 99 9.906 19.311 11.379 1.00 20.65 C ATOM 968 C LEU A 99 9.725 20.243 10.183 1.00 23.83 C ATOM 969 O LEU A 99 9.420 21.451 10.354 1.00 23.81 O ATOM 970 CB LEU A 99 11.404 19.240 11.807 1.00 20.67 C ATOM 971 CG LEU A 99 12.109 20.452 12.342 1.00 23.67 C ATOM 972 CD1 LEU A 99 11.423 20.900 13.619 1.00 25.85 C ATOM 973 CD2 LEU A 99 13.567 20.124 12.611 1.00 27.74 C ATOM 974 H LEU A 99 10.048 17.158 11.217 1.00 0.00 H ATOM 975 N THR A 100 9.837 19.702 8.954 1.00 25.77 N ATOM 976 CA THR A 100 9.877 20.595 7.758 1.00 27.89 C ATOM 977 C THR A 100 8.530 21.254 7.602 1.00 30.96 C ATOM 978 O THR A 100 8.460 22.295 6.948 1.00 31.40 O ATOM 979 CB THR A 100 10.249 19.842 6.422 1.00 28.53 C ATOM 980 OG1 THR A 100 9.329 18.774 6.176 1.00 28.25 O ATOM 981 CG2 THR A 100 11.619 19.173 6.484 1.00 23.61 C ATOM 982 HG1 THR A 100 9.363 18.131 6.928 1.00 0.00 H ATOM 983 H THR A 100 9.895 18.670 8.839 1.00 0.00 H ATOM 984 N GLU A 101 7.492 20.669 8.225 1.00 31.91 N ATOM 985 CA GLU A 101 6.128 21.218 8.266 1.00 34.74 C ATOM 986 C GLU A 101 5.805 22.069 9.485 1.00 34.76 C ATOM 987 O GLU A 101 4.705 22.585 9.581 1.00 37.76 O ATOM 988 CB GLU A 101 5.102 20.097 8.215 1.00 33.99 C ATOM 989 CG GLU A 101 5.212 19.205 6.987 1.00 37.07 C ATOM 990 CD GLU A 101 5.141 19.945 5.626 1.00 44.47 C ATOM 991 OE1 GLU A 101 4.660 21.114 5.543 1.00 47.60 O ATOM 992 OE2 GLU A 101 5.570 19.342 4.613 1.00 43.16 O ATOM 993 H GLU A 101 7.665 19.766 8.711 1.00 0.00 H ATOM 994 N GLN A 102 6.718 22.231 10.427 1.00 35.57 N ATOM 995 CA GLN A 102 6.499 23.157 11.557 1.00 35.05 C ATOM 996 C GLN A 102 6.645 24.595 11.055 1.00 36.20 C ATOM 997 O GLN A 102 7.302 24.835 10.037 1.00 35.29 O ATOM 998 CB GLN A 102 7.482 22.905 12.721 1.00 34.64 C ATOM 999 CG GLN A 102 7.264 21.580 13.473 1.00 39.56 C ATOM 1000 CD GLN A 102 5.800 21.248 13.656 1.00 44.42 C ATOM 1001 OE1 GLN A 102 5.111 21.855 14.488 1.00 48.28 O ATOM 1002 NE2 GLN A 102 5.302 20.294 12.870 1.00 46.53 N ATOM 1003 HE22 GLN A 102 5.918 19.810 12.185 1.00 0.00 H ATOM 1004 HE21 GLN A 102 4.298 20.033 12.941 1.00 0.00 H ATOM 1005 H GLN A 102 7.608 21.696 10.372 1.00 0.00 H ATOM 1006 N PRO A 103 6.043 25.571 11.776 1.00 36.62 N ATOM 1007 CA PRO A 103 6.130 26.961 11.303 1.00 37.84 C ATOM 1008 C PRO A 103 7.574 27.457 11.028 1.00 37.98 C ATOM 1009 O PRO A 103 7.804 28.249 10.100 1.00 38.19 O ATOM 1010 CB PRO A 103 5.491 27.766 12.444 1.00 37.72 C ATOM 1011 CG PRO A 103 5.280 26.779 13.606 1.00 39.36 C ATOM 1012 CD PRO A 103 5.203 25.426 12.978 1.00 37.23 C ATOM 1013 N GLU A 104 8.528 26.971 11.826 1.00 37.43 N ATOM 1014 CA GLU A 104 9.941 27.358 11.728 1.00 37.54 C ATOM 1015 C GLU A 104 10.602 26.978 10.349 1.00 35.29 C ATOM 1016 O GLU A 104 11.649 27.560 9.975 1.00 38.13 O ATOM 1017 CB GLU A 104 10.705 26.764 12.944 1.00 38.64 C ATOM 1018 CG GLU A 104 12.216 27.037 13.054 1.00 38.90 C ATOM 1019 CD GLU A 104 12.852 26.421 14.313 1.00 42.44 C ATOM 1020 OE1 GLU A 104 12.272 25.467 14.930 1.00 39.67 O ATOM 1021 OE2 GLU A 104 13.955 26.896 14.691 1.00 41.70 O ATOM 1022 H GLU A 104 8.256 26.282 12.556 1.00 0.00 H ATOM 1023 N LEU A 105 10.000 26.041 9.599 1.00 32.41 N ATOM 1024 CA LEU A 105 10.622 25.488 8.371 1.00 28.39 C ATOM 1025 C LEU A 105 9.699 25.412 7.141 1.00 27.24 C ATOM 1026 O LEU A 105 10.166 25.413 5.984 1.00 24.48 O ATOM 1027 CB LEU A 105 11.209 24.071 8.662 1.00 28.94 C ATOM 1028 CG LEU A 105 12.644 24.065 9.295 1.00 28.58 C ATOM 1029 CD1 LEU A 105 13.216 22.671 9.211 1.00 29.32 C ATOM 1030 CD2 LEU A 105 13.553 25.146 8.625 1.00 31.23 C ATOM 1031 H LEU A 105 9.065 25.691 9.889 1.00 0.00 H ATOM 1032 N ALA A 106 8.392 25.332 7.413 1.00 28.18 N ATOM 1033 CA ALA A 106 7.365 25.150 6.354 1.00 28.06 C ATOM 1034 C ALA A 106 7.476 26.012 5.122 1.00 26.62 C ATOM 1035 O ALA A 106 7.156 25.581 4.025 1.00 27.99 O ATOM 1036 CB ALA A 106 5.942 25.366 6.946 1.00 28.28 C ATOM 1037 H ALA A 106 8.082 25.400 8.404 1.00 0.00 H ATOM 1038 N ASN A 107 7.858 27.248 5.422 1.00 23.66 N ATOM 1039 CA ASN A 107 7.993 28.346 4.506 1.00 23.35 C ATOM 1040 C ASN A 107 9.269 28.229 3.740 1.00 20.88 C ATOM 1041 O ASN A 107 9.326 28.568 2.562 1.00 21.27 O ATOM 1042 CB ASN A 107 8.134 29.613 5.336 1.00 24.30 C ATOM 1043 CG ASN A 107 9.183 29.463 6.453 1.00 33.64 C ATOM 1044 OD1 ASN A 107 8.987 28.698 7.426 1.00 38.14 O ATOM 1045 ND2 ASN A 107 10.304 30.178 6.310 1.00 40.36 N ATOM 1046 HD22 ASN A 107 10.422 30.800 5.485 1.00 0.00 H ATOM 1047 HD21 ASN A 107 11.058 30.112 7.024 1.00 0.00 H ATOM 1048 H ASN A 107 8.082 27.440 6.419 1.00 0.00 H ATOM 1049 N LYS A 108 10.288 27.737 4.419 1.00 17.10 N ATOM 1050 CA LYS A 108 11.661 27.989 4.093 1.00 16.60 C ATOM 1051 C LYS A 108 12.341 26.961 3.181 1.00 13.89 C ATOM 1052 O LYS A 108 13.337 27.243 2.589 1.00 14.49 O ATOM 1053 CB LYS A 108 12.415 28.025 5.392 1.00 17.46 C ATOM 1054 CG LYS A 108 12.213 29.314 6.175 1.00 18.84 C ATOM 1055 CD LYS A 108 12.944 29.256 7.486 1.00 25.29 C ATOM 1056 CE LYS A 108 12.787 30.538 8.244 1.00 27.55 C ATOM 1057 NZ LYS A 108 11.432 31.027 8.291 1.00 31.95 N ATOM 1058 HZ1 LYS A 108 11.093 31.198 7.323 1.00 0.00 H ATOM 1059 HZ2 LYS A 108 10.825 30.320 8.753 1.00 0.00 H ATOM 1060 HZ3 LYS A 108 11.404 31.915 8.831 1.00 0.00 H ATOM 1061 H LYS A 108 10.083 27.131 5.239 1.00 0.00 H ATOM 1062 N VAL A 109 11.761 25.790 3.150 1.00 13.65 N ATOM 1063 CA VAL A 109 12.368 24.625 2.548 1.00 13.35 C ATOM 1064 C VAL A 109 11.672 24.315 1.240 1.00 11.62 C ATOM 1065 O VAL A 109 10.502 24.206 1.192 1.00 13.17 O ATOM 1066 CB VAL A 109 12.236 23.417 3.479 1.00 12.60 C ATOM 1067 CG1 VAL A 109 12.688 22.133 2.773 1.00 14.10 C ATOM 1068 CG2 VAL A 109 13.073 23.633 4.770 1.00 14.61 C ATOM 1069 H VAL A 109 10.819 25.692 3.579 1.00 0.00 H ATOM 1070 N ASP A 110 12.477 24.225 0.201 1.00 11.35 N ATOM 1071 CA ASP A 110 12.015 23.671 -1.075 1.00 12.32 C ATOM 1072 C ASP A 110 12.235 22.131 -1.127 1.00 9.51 C ATOM 1073 O ASP A 110 11.517 21.469 -0.545 1.00 11.54 O ATOM 1074 CB ASP A 110 12.614 24.314 -2.257 1.00 11.18 C ATOM 1075 CG ASP A 110 11.947 23.855 -3.559 1.00 13.56 C ATOM 1076 OD1 ASP A 110 12.583 23.862 -4.511 1.00 21.31 O ATOM 1077 OD2 ASP A 110 10.893 23.410 -3.516 1.00 17.00 O ATOM 1078 H ASP A 110 13.460 24.554 0.288 1.00 0.00 H ATOM 1079 N MET A 111 13.273 21.683 -1.802 1.00 10.39 N ATOM 1080 CA MET A 111 13.543 20.261 -1.923 1.00 9.50 C ATOM 1081 C MET A 111 14.253 19.724 -0.695 1.00 9.67 C ATOM 1082 O MET A 111 14.960 20.421 -0.068 1.00 10.20 O ATOM 1083 CB MET A 111 14.429 20.031 -3.126 1.00 9.94 C ATOM 1084 CG MET A 111 13.759 20.451 -4.436 1.00 13.31 C ATOM 1085 SD MET A 111 14.634 19.975 -5.888 1.00 25.69 S ATOM 1086 CE MET A 111 15.831 20.424 -5.686 1.00 5.28 C ATOM 1087 H MET A 111 13.914 22.363 -2.259 1.00 0.00 H ATOM 1088 N VAL A 112 13.983 18.484 -0.417 1.00 8.47 N ATOM 1089 CA VAL A 112 14.626 17.788 0.638 1.00 8.77 C ATOM 1090 C VAL A 112 15.480 16.749 0.086 1.00 9.79 C ATOM 1091 O VAL A 112 15.240 15.967 -0.825 1.00 9.31 O ATOM 1092 CB VAL A 112 13.700 17.111 1.602 1.00 8.03 C ATOM 1093 CG1 VAL A 112 14.510 16.367 2.679 1.00 11.38 C ATOM 1094 CG2 VAL A 112 12.767 18.134 2.188 1.00 11.09 C ATOM 1095 H VAL A 112 13.271 17.985 -0.988 1.00 0.00 H ATOM 1096 N TRP A 113 16.442 16.667 0.922 1.00 8.65 N ATOM 1097 CA TRP A 113 17.517 15.932 0.288 1.00 8.47 C ATOM 1098 C TRP A 113 18.163 15.060 1.351 1.00 7.81 C ATOM 1099 O TRP A 113 18.435 15.509 2.463 1.00 9.15 O ATOM 1100 CB TRP A 113 18.563 16.939 -0.221 1.00 8.88 C ATOM 1101 CG TRP A 113 18.845 17.009 -1.743 1.00 8.38 C ATOM 1102 CD1 TRP A 113 19.234 18.115 -2.457 1.00 11.50 C ATOM 1103 CD2 TRP A 113 18.792 15.933 -2.697 1.00 7.25 C ATOM 1104 NE1 TRP A 113 19.423 17.791 -3.782 1.00 11.67 N ATOM 1105 CE2 TRP A 113 19.159 16.462 -3.956 1.00 10.24 C ATOM 1106 CE3 TRP A 113 18.472 14.584 -2.612 1.00 7.91 C ATOM 1107 CZ2 TRP A 113 19.214 15.676 -5.109 1.00 10.38 C ATOM 1108 CZ3 TRP A 113 18.515 13.811 -3.762 1.00 9.32 C ATOM 1109 CH2 TRP A 113 18.878 14.357 -4.990 1.00 10.13 C ATOM 1110 HE1 TRP A 113 19.719 18.451 -4.529 1.00 0.00 H ATOM 1111 H TRP A 113 16.452 17.058 1.886 1.00 0.00 H ATOM 1112 N ILE A 114 18.432 13.817 0.999 1.00 7.98 N ATOM 1113 CA ILE A 114 19.070 12.865 1.943 1.00 7.61 C ATOM 1114 C ILE A 114 20.390 12.515 1.358 1.00 8.41 C ATOM 1115 O ILE A 114 20.531 12.004 0.243 1.00 9.49 O ATOM 1116 CB ILE A 114 18.165 11.705 2.157 1.00 8.86 C ATOM 1117 CG1 ILE A 114 16.845 12.138 2.857 1.00 11.96 C ATOM 1118 CG2 ILE A 114 18.891 10.569 2.969 1.00 12.17 C ATOM 1119 CD1 ILE A 114 15.717 11.042 2.752 1.00 15.78 C ATOM 1120 H ILE A 114 18.192 13.497 0.039 1.00 0.00 H ATOM 1121 N VAL A 115 21.460 12.778 2.116 1.00 9.87 N ATOM 1122 CA VAL A 115 22.805 12.652 1.654 1.00 10.23 C ATOM 1123 C VAL A 115 23.540 11.543 2.496 1.00 9.32 C ATOM 1124 O VAL A 115 24.782 11.487 2.207 1.00 14.70 O ATOM 1125 CB VAL A 115 23.535 13.964 1.504 1.00 9.63 C ATOM 1126 CG1 VAL A 115 22.740 14.940 0.711 1.00 11.77 C ATOM 1127 CG2 VAL A 115 23.851 14.568 2.896 1.00 11.54 C ATOM 1128 H VAL A 115 21.304 13.091 3.095 1.00 0.00 H ATOM 1129 N GLY A 116 22.886 10.748 3.218 1.00 9.83 N ATOM 1130 CA GLY A 116 23.525 9.521 3.768 1.00 13.66 C ATOM 1131 C GLY A 116 23.434 9.529 5.278 1.00 11.79 C ATOM 1132 O GLY A 116 22.887 10.498 5.840 1.00 12.71 O ATOM 1133 H GLY A 116 21.889 10.950 3.433 1.00 0.00 H ATOM 1134 N GLY A 117 23.795 8.496 6.003 1.00 11.62 N ATOM 1135 CA GLY A 117 24.562 7.313 5.429 1.00 11.65 C ATOM 1136 C GLY A 117 23.580 6.221 5.097 1.00 11.36 C ATOM 1137 O GLY A 117 22.396 6.380 4.858 1.00 10.00 O ATOM 1138 H GLY A 117 23.546 8.485 7.013 1.00 0.00 H ATOM 1139 N SER A 118 24.064 5.000 5.275 1.00 12.21 N ATOM 1140 CA SER A 118 23.456 3.815 4.688 1.00 12.24 C ATOM 1141 C SER A 118 22.097 3.630 5.313 1.00 13.53 C ATOM 1142 O SER A 118 21.112 3.514 4.589 1.00 16.33 O ATOM 1143 CB SER A 118 24.408 2.594 4.861 1.00 14.09 C ATOM 1144 OG SER A 118 24.591 2.353 6.246 1.00 17.48 O ATOM 1145 HG SER A 118 25.195 1.578 6.368 1.00 0.00 H ATOM 1146 H SER A 118 24.916 4.884 5.860 1.00 0.00 H ATOM 1147 N SER A 119 22.024 3.698 6.667 1.00 12.59 N ATOM 1148 CA SER A 119 20.759 3.398 7.309 1.00 13.37 C ATOM 1149 C SER A 119 19.657 4.437 7.009 1.00 12.53 C ATOM 1150 O SER A 119 18.465 4.114 6.969 1.00 14.41 O ATOM 1151 CB SER A 119 20.934 3.246 8.863 1.00 14.72 C ATOM 1152 OG SER A 119 21.205 4.491 9.431 1.00 20.05 O ATOM 1153 HG SER A 119 22.039 4.856 9.041 1.00 0.00 H ATOM 1154 H SER A 119 22.857 3.960 7.231 1.00 0.00 H ATOM 1155 N VAL A 120 20.101 5.653 6.786 1.00 12.02 N ATOM 1156 CA VAL A 120 19.175 6.743 6.474 1.00 12.30 C ATOM 1157 C VAL A 120 18.611 6.537 5.033 1.00 10.27 C ATOM 1158 O VAL A 120 17.423 6.642 4.777 1.00 10.75 O ATOM 1159 CB VAL A 120 19.847 8.090 6.569 1.00 12.03 C ATOM 1160 CG1 VAL A 120 18.864 9.222 6.420 1.00 15.13 C ATOM 1161 CG2 VAL A 120 20.540 8.287 8.008 1.00 14.20 C ATOM 1162 H VAL A 120 21.122 5.844 6.832 1.00 0.00 H ATOM 1163 N TYR A 121 19.558 6.199 4.118 1.00 9.62 N ATOM 1164 CA TYR A 121 19.075 5.810 2.753 1.00 8.76 C ATOM 1165 C TYR A 121 18.114 4.662 2.835 1.00 8.83 C ATOM 1166 O TYR A 121 17.049 4.702 2.205 1.00 9.85 O ATOM 1167 CB TYR A 121 20.247 5.430 1.917 1.00 9.59 C ATOM 1168 CG TYR A 121 21.238 6.481 1.487 1.00 7.03 C ATOM 1169 CD1 TYR A 121 22.609 6.337 1.560 1.00 7.62 C ATOM 1170 CD2 TYR A 121 20.770 7.695 0.887 1.00 8.02 C ATOM 1171 CE1 TYR A 121 23.533 7.212 1.125 1.00 7.06 C ATOM 1172 CE2 TYR A 121 21.697 8.632 0.458 1.00 8.01 C ATOM 1173 CZ TYR A 121 23.108 8.403 0.533 1.00 6.57 C ATOM 1174 OH TYR A 121 24.000 9.282 0.064 1.00 7.52 O ATOM 1175 HH TYR A 121 23.851 9.416 -0.905 1.00 0.00 H ATOM 1176 H TYR A 121 20.571 6.210 4.354 1.00 0.00 H ATOM 1177 N LYS A 122 18.398 3.632 3.658 1.00 10.76 N ATOM 1178 CA LYS A 122 17.531 2.437 3.652 1.00 11.83 C ATOM 1179 C LYS A 122 16.109 2.778 4.105 1.00 12.45 C ATOM 1180 O LYS A 122 15.115 2.305 3.496 1.00 13.57 O ATOM 1181 CB LYS A 122 18.126 1.376 4.587 1.00 13.58 C ATOM 1182 CG LYS A 122 17.351 -0.035 4.517 1.00 15.34 C ATOM 1183 CD LYS A 122 18.116 -1.043 5.335 1.00 21.49 C ATOM 1184 CE LYS A 122 17.163 -2.138 5.763 1.00 24.87 C ATOM 1185 NZ LYS A 122 18.077 -3.270 6.207 1.00 32.95 N ATOM 1186 HZ1 LYS A 122 18.677 -3.562 5.410 1.00 0.00 H ATOM 1187 HZ2 LYS A 122 18.676 -2.943 6.992 1.00 0.00 H ATOM 1188 HZ3 LYS A 122 17.500 -4.076 6.522 1.00 0.00 H ATOM 1189 H LYS A 122 19.221 3.679 4.292 1.00 0.00 H ATOM 1190 N GLU A 123 16.015 3.538 5.183 1.00 13.55 N ATOM 1191 CA GLU A 123 14.666 3.826 5.686 1.00 13.27 C ATOM 1192 C GLU A 123 13.921 4.705 4.699 1.00 13.76 C ATOM 1193 O GLU A 123 12.773 4.391 4.423 1.00 14.09 O ATOM 1194 CB GLU A 123 14.793 4.453 7.092 1.00 16.95 C ATOM 1195 CG GLU A 123 15.367 5.617 7.211 1.00 19.77 C ATOM 1196 CD GLU A 123 15.443 6.026 8.682 1.00 25.55 C ATOM 1197 OE1 GLU A 123 14.393 5.891 9.335 1.00 26.32 O ATOM 1198 OE2 GLU A 123 16.510 6.486 9.157 1.00 24.71 O ATOM 1199 H GLU A 123 16.861 3.916 5.655 1.00 0.00 H ATOM 1200 N ALA A 124 14.588 5.715 4.138 1.00 12.13 N ATOM 1201 CA ALA A 124 13.880 6.513 3.128 1.00 12.40 C ATOM 1202 C ALA A 124 13.412 5.670 1.945 1.00 11.46 C ATOM 1203 O ALA A 124 12.289 5.816 1.474 1.00 11.98 O ATOM 1204 CB ALA A 124 14.696 7.601 2.666 1.00 13.59 C ATOM 1205 H ALA A 124 15.570 5.929 4.405 1.00 0.00 H ATOM 1206 N MET A 125 14.266 4.770 1.523 1.00 11.44 N ATOM 1207 CA MET A 125 14.027 3.995 0.296 1.00 11.80 C ATOM 1208 C MET A 125 12.868 3.000 0.421 1.00 13.37 C ATOM 1209 O MET A 125 12.284 2.613 -0.579 1.00 13.44 O ATOM 1210 CB MET A 125 15.289 3.294 -0.122 1.00 10.66 C ATOM 1211 CG MET A 125 16.267 4.262 -0.822 1.00 11.09 C ATOM 1212 SD MET A 125 17.922 3.615 -0.982 1.00 12.06 S ATOM 1213 CE MET A 125 17.617 2.256 -2.100 1.00 11.54 C ATOM 1214 H MET A 125 15.134 4.600 2.069 1.00 0.00 H ATOM 1215 N ASN A 126 12.502 2.693 1.673 1.00 12.81 N ATOM 1216 CA ASN A 126 11.490 1.680 2.004 1.00 17.69 C ATOM 1217 C ASN A 126 10.257 2.308 2.633 1.00 17.17 C ATOM 1218 O ASN A 126 9.335 1.575 3.025 1.00 19.34 O ATOM 1219 CB ASN A 126 12.201 0.581 2.850 1.00 17.60 C ATOM 1220 CG ASN A 126 13.303 -0.304 1.922 1.00 24.58 C ATOM 1221 OD1 ASN A 126 12.826 -1.297 1.400 1.00 32.60 O ATOM 1222 ND2 ASN A 126 14.722 0.046 1.709 1.00 16.48 N ATOM 1223 HD22 ASN A 126 15.121 0.895 2.158 1.00 0.00 H ATOM 1224 HD21 ASN A 126 15.322 -0.556 1.110 1.00 0.00 H ATOM 1225 H ASN A 126 12.961 3.201 2.456 1.00 0.00 H ATOM 1226 N HIS A 127 10.167 3.632 2.594 1.00 15.10 N ATOM 1227 CA HIS A 127 8.990 4.300 3.194 1.00 16.30 C ATOM 1228 C HIS A 127 8.101 4.681 2.067 1.00 16.91 C ATOM 1229 O HIS A 127 8.528 5.346 1.079 1.00 16.33 O ATOM 1230 CB HIS A 127 9.506 5.570 3.804 1.00 15.40 C ATOM 1231 CG HIS A 127 8.483 6.256 4.645 1.00 20.11 C ATOM 1232 ND1 HIS A 127 7.509 7.083 4.117 1.00 25.07 N ATOM 1233 CD2 HIS A 127 8.244 6.193 5.991 1.00 22.17 C ATOM 1234 CE1 HIS A 127 6.735 7.536 5.101 1.00 24.32 C ATOM 1235 NE2 HIS A 127 7.152 7.006 6.236 1.00 24.34 N ATOM 1236 H HIS A 127 10.917 4.195 2.146 1.00 0.00 H ATOM 1237 N PRO A 128 6.805 4.416 2.188 1.00 16.98 N ATOM 1238 CA PRO A 128 5.907 4.788 1.092 1.00 18.05 C ATOM 1239 C PRO A 128 5.922 6.259 0.732 1.00 17.20 C ATOM 1240 O PRO A 128 6.130 7.154 1.540 1.00 19.01 O ATOM 1241 CB PRO A 128 4.498 4.424 1.607 1.00 19.14 C ATOM 1242 CG PRO A 128 4.753 3.434 2.758 1.00 19.57 C ATOM 1243 CD PRO A 128 6.069 3.760 3.330 1.00 19.34 C ATOM 1244 N GLY A 129 5.760 6.473 -0.564 1.00 14.66 N ATOM 1245 CA GLY A 129 5.541 7.819 -1.062 1.00 13.43 C ATOM 1246 C GLY A 129 6.414 8.077 -2.288 1.00 11.41 C ATOM 1247 O GLY A 129 6.932 7.185 -2.914 1.00 12.44 O ATOM 1248 H GLY A 129 5.790 5.674 -1.228 1.00 0.00 H ATOM 1249 N HIS A 130 6.411 9.339 -2.676 1.00 11.90 N ATOM 1250 CA HIS A 130 7.070 9.802 -3.917 1.00 10.15 C ATOM 1251 C HIS A 130 8.533 10.128 -3.571 1.00 10.59 C ATOM 1252 O HIS A 130 8.774 10.969 -2.743 1.00 10.58 O ATOM 1253 CB HIS A 130 6.394 11.001 -4.456 1.00 9.70 C ATOM 1254 CG HIS A 130 6.870 11.477 -5.793 1.00 9.81 C ATOM 1255 ND1 HIS A 130 7.652 10.842 -6.739 1.00 12.98 N ATOM 1256 CD2 HIS A 130 6.392 12.578 -6.407 1.00 9.79 C ATOM 1257 CE1 HIS A 130 7.780 11.641 -7.823 1.00 8.22 C ATOM 1258 NE2 HIS A 130 6.974 12.677 -7.626 1.00 15.80 N ATOM 1259 H HIS A 130 5.923 10.040 -2.082 1.00 0.00 H ATOM 1260 N LEU A 131 9.499 9.396 -4.210 1.00 8.77 N ATOM 1261 CA LEU A 131 10.931 9.555 -3.847 1.00 8.40 C ATOM 1262 C LEU A 131 11.759 9.387 -5.106 1.00 8.08 C ATOM 1263 O LEU A 131 11.491 8.476 -5.916 1.00 8.76 O ATOM 1264 CB LEU A 131 11.374 8.527 -2.786 1.00 9.13 C ATOM 1265 CG LEU A 131 12.870 8.585 -2.320 1.00 8.28 C ATOM 1266 CD1 LEU A 131 13.061 9.817 -1.516 1.00 10.34 C ATOM 1267 CD2 LEU A 131 13.197 7.321 -1.462 1.00 10.94 C ATOM 1268 H LEU A 131 9.228 8.723 -4.955 1.00 0.00 H ATOM 1269 N LYS A 132 12.758 10.212 -5.269 1.00 6.96 N ATOM 1270 CA LYS A 132 13.746 10.029 -6.350 1.00 6.98 C ATOM 1271 C LYS A 132 15.090 9.676 -5.770 1.00 7.91 C ATOM 1272 O LYS A 132 15.468 10.199 -4.668 1.00 8.24 O ATOM 1273 CB LYS A 132 13.871 11.256 -7.252 1.00 8.65 C ATOM 1274 CG LYS A 132 12.639 11.455 -8.131 1.00 9.69 C ATOM 1275 CD LYS A 132 12.974 12.590 -9.153 1.00 17.53 C ATOM 1276 CE LYS A 132 12.732 13.919 -8.669 1.00 23.92 C ATOM 1277 NZ LYS A 132 11.211 14.081 -8.528 1.00 18.37 N ATOM 1278 HZ1 LYS A 132 10.761 13.941 -9.455 1.00 0.00 H ATOM 1279 HZ2 LYS A 132 10.849 13.375 -7.856 1.00 0.00 H ATOM 1280 HZ3 LYS A 132 10.996 15.036 -8.178 1.00 0.00 H ATOM 1281 H LYS A 132 12.860 11.019 -4.620 1.00 0.00 H ATOM 1282 N LEU A 133 15.869 8.893 -6.477 1.00 6.44 N ATOM 1283 CA LEU A 133 17.268 8.584 -6.144 1.00 7.01 C ATOM 1284 C LEU A 133 18.151 9.099 -7.205 1.00 5.45 C ATOM 1285 O LEU A 133 17.996 8.668 -8.390 1.00 7.36 O ATOM 1286 CB LEU A 133 17.509 7.076 -5.963 1.00 7.08 C ATOM 1287 CG LEU A 133 16.467 6.266 -5.213 1.00 6.70 C ATOM 1288 CD1 LEU A 133 16.868 4.817 -5.230 1.00 8.61 C ATOM 1289 CD2 LEU A 133 16.270 6.776 -3.767 1.00 9.09 C ATOM 1290 H LEU A 133 15.469 8.460 -7.334 1.00 0.00 H ATOM 1291 N PHE A 134 19.080 9.978 -6.930 1.00 6.51 N ATOM 1292 CA PHE A 134 20.101 10.457 -7.898 1.00 5.82 C ATOM 1293 C PHE A 134 21.362 9.699 -7.612 1.00 5.06 C ATOM 1294 O PHE A 134 21.990 9.905 -6.511 1.00 6.83 O ATOM 1295 CB PHE A 134 20.278 11.985 -7.703 1.00 6.70 C ATOM 1296 CG PHE A 134 19.085 12.782 -8.224 1.00 6.44 C ATOM 1297 CD1 PHE A 134 17.922 12.841 -7.491 1.00 6.23 C ATOM 1298 CD2 PHE A 134 19.204 13.478 -9.433 1.00 7.56 C ATOM 1299 CE1 PHE A 134 16.821 13.518 -7.932 1.00 7.15 C ATOM 1300 CE2 PHE A 134 18.040 14.203 -9.906 1.00 8.43 C ATOM 1301 CZ PHE A 134 16.893 14.180 -9.148 1.00 7.46 C ATOM 1302 H PHE A 134 19.106 10.369 -5.967 1.00 0.00 H ATOM 1303 N VAL A 135 21.676 8.763 -8.504 1.00 6.55 N ATOM 1304 CA VAL A 135 22.761 7.763 -8.221 1.00 6.68 C ATOM 1305 C VAL A 135 23.845 7.962 -9.204 1.00 6.38 C ATOM 1306 O VAL A 135 23.621 7.867 -10.436 1.00 7.58 O ATOM 1307 CB VAL A 135 22.153 6.352 -8.353 1.00 5.36 C ATOM 1308 CG1 VAL A 135 23.257 5.253 -8.157 1.00 8.79 C ATOM 1309 CG2 VAL A 135 21.062 6.118 -7.339 1.00 8.70 C ATOM 1310 H VAL A 135 21.164 8.723 -9.408 1.00 0.00 H ATOM 1311 N THR A 136 25.069 8.201 -8.715 1.00 6.62 N ATOM 1312 CA THR A 136 26.233 8.202 -9.601 1.00 6.68 C ATOM 1313 C THR A 136 26.826 6.814 -9.534 1.00 6.39 C ATOM 1314 O THR A 136 27.271 6.376 -8.443 1.00 7.82 O ATOM 1315 CB THR A 136 27.263 9.236 -9.178 1.00 8.09 C ATOM 1316 OG1 THR A 136 26.666 10.525 -9.188 1.00 8.07 O ATOM 1317 CG2 THR A 136 28.434 9.236 -10.131 1.00 9.48 C ATOM 1318 HG1 THR A 136 27.336 11.200 -8.913 1.00 0.00 H ATOM 1319 H THR A 136 25.192 8.387 -7.699 1.00 0.00 H ATOM 1320 N ARG A 137 26.861 6.131 -10.631 1.00 6.69 N ATOM 1321 CA ARG A 137 27.467 4.787 -10.742 1.00 8.38 C ATOM 1322 C ARG A 137 28.930 4.959 -11.073 1.00 8.03 C ATOM 1323 O ARG A 137 29.281 5.328 -12.210 1.00 8.66 O ATOM 1324 CB ARG A 137 26.815 3.970 -11.907 1.00 7.84 C ATOM 1325 CG ARG A 137 25.326 3.763 -11.668 1.00 7.96 C ATOM 1326 CD ARG A 137 25.050 2.733 -10.566 1.00 8.72 C ATOM 1327 NE ARG A 137 23.661 2.447 -10.419 1.00 8.81 N ATOM 1328 CZ ARG A 137 23.112 1.555 -9.638 1.00 9.08 C ATOM 1329 NH1 ARG A 137 23.894 0.926 -8.726 1.00 11.91 N ATOM 1330 NH2 ARG A 137 21.805 1.318 -9.669 1.00 10.43 N ATOM 1331 HE ARG A 137 23.010 3.013 -11.000 1.00 0.00 H ATOM 1332 HH12 ARG A 137 23.482 0.212 -8.092 1.00 0.00 H ATOM 1333 HH11 ARG A 137 24.906 1.158 -8.660 1.00 0.00 H ATOM 1334 HH22 ARG A 137 21.391 0.603 -9.037 1.00 0.00 H ATOM 1335 HH21 ARG A 137 21.196 1.848 -10.325 1.00 0.00 H ATOM 1336 H ARG A 137 26.439 6.551 -11.484 1.00 0.00 H ATOM 1337 N ILE A 138 29.795 4.673 -10.071 1.00 8.39 N ATOM 1338 CA ILE A 138 31.251 4.632 -10.267 1.00 9.34 C ATOM 1339 C ILE A 138 31.543 3.210 -10.736 1.00 9.19 C ATOM 1340 O ILE A 138 31.293 2.240 -10.019 1.00 9.74 O ATOM 1341 CB ILE A 138 31.910 4.951 -8.928 1.00 9.13 C ATOM 1342 CG1 ILE A 138 31.442 6.280 -8.275 1.00 17.45 C ATOM 1343 CG2 ILE A 138 33.480 4.806 -9.128 1.00 15.01 C ATOM 1344 CD1 ILE A 138 31.693 7.477 -8.985 1.00 18.73 C ATOM 1345 H ILE A 138 29.413 4.474 -9.124 1.00 0.00 H ATOM 1346 N MET A 139 31.980 3.122 -11.993 1.00 9.65 N ATOM 1347 CA MET A 139 32.043 1.874 -12.750 1.00 11.86 C ATOM 1348 C MET A 139 33.346 1.123 -12.541 1.00 13.60 C ATOM 1349 O MET A 139 34.028 0.740 -13.492 1.00 16.25 O ATOM 1350 CB MET A 139 31.831 2.146 -14.241 1.00 14.11 C ATOM 1351 CG MET A 139 30.638 3.037 -14.546 1.00 12.93 C ATOM 1352 SD MET A 139 30.573 3.545 -16.275 1.00 23.01 S ATOM 1353 CE MET A 139 29.305 2.448 -16.903 1.00 3.06 C ATOM 1354 H MET A 139 32.295 3.995 -12.463 1.00 0.00 H ATOM 1355 N GLN A 140 33.672 0.915 -11.276 1.00 12.88 N ATOM 1356 CA GLN A 140 34.888 0.118 -10.852 1.00 13.48 C ATOM 1357 C GLN A 140 34.508 -0.382 -9.464 1.00 12.40 C ATOM 1358 O GLN A 140 33.657 0.205 -8.723 1.00 11.50 O ATOM 1359 CB GLN A 140 36.177 1.002 -10.714 1.00 16.20 C ATOM 1360 CG GLN A 140 36.686 1.519 -12.037 1.00 20.93 C ATOM 1361 CD GLN A 140 38.011 2.134 -11.896 1.00 20.21 C ATOM 1362 OE1 GLN A 140 38.669 1.929 -10.828 1.00 22.22 O ATOM 1363 NE2 GLN A 140 38.507 2.758 -12.928 1.00 23.65 N ATOM 1364 HE22 GLN A 140 37.926 2.900 -13.779 1.00 0.00 H ATOM 1365 HE21 GLN A 140 39.484 3.114 -12.900 1.00 0.00 H ATOM 1366 H GLN A 140 33.063 1.319 -10.536 1.00 0.00 H ATOM 1367 N ASP A 141 35.097 -1.471 -9.031 1.00 12.85 N ATOM 1368 CA ASP A 141 35.075 -1.913 -7.624 1.00 12.88 C ATOM 1369 C ASP A 141 36.068 -1.143 -6.826 1.00 11.91 C ATOM 1370 O ASP A 141 37.160 -0.791 -7.229 1.00 14.31 O ATOM 1371 CB ASP A 141 35.442 -3.402 -7.476 1.00 13.43 C ATOM 1372 CG ASP A 141 34.381 -4.287 -7.928 1.00 20.43 C ATOM 1373 OD1 ASP A 141 33.185 -3.939 -8.152 1.00 20.30 O ATOM 1374 OD2 ASP A 141 34.674 -5.513 -8.075 1.00 30.88 O ATOM 1375 H ASP A 141 35.610 -2.057 -9.720 1.00 0.00 H ATOM 1376 N PHE A 142 35.639 -0.757 -5.578 1.00 12.18 N ATOM 1377 CA PHE A 142 36.546 -0.137 -4.622 1.00 11.66 C ATOM 1378 C PHE A 142 36.221 -0.662 -3.231 1.00 12.16 C ATOM 1379 O PHE A 142 35.071 -0.902 -2.827 1.00 11.59 O ATOM 1380 CB PHE A 142 36.272 1.387 -4.554 1.00 12.30 C ATOM 1381 CG PHE A 142 36.858 2.127 -5.688 1.00 12.23 C ATOM 1382 CD1 PHE A 142 38.207 2.481 -5.708 1.00 15.75 C ATOM 1383 CD2 PHE A 142 36.089 2.503 -6.800 1.00 11.69 C ATOM 1384 CE1 PHE A 142 38.806 3.143 -6.757 1.00 15.40 C ATOM 1385 CE2 PHE A 142 36.640 3.174 -7.870 1.00 13.31 C ATOM 1386 CZ PHE A 142 38.015 3.494 -7.881 1.00 15.55 C ATOM 1387 H PHE A 142 34.646 -0.911 -5.311 1.00 0.00 H ATOM 1388 N GLU A 143 37.313 -1.001 -2.518 1.00 12.44 N ATOM 1389 CA GLU A 143 37.218 -1.519 -1.121 1.00 11.78 C ATOM 1390 C GLU A 143 36.432 -0.404 -0.278 1.00 8.69 C ATOM 1391 O GLU A 143 36.765 0.761 -0.312 1.00 10.61 O ATOM 1392 CB GLU A 143 38.642 -1.681 -0.566 1.00 12.73 C ATOM 1393 CG GLU A 143 38.682 -2.162 0.908 1.00 13.12 C ATOM 1394 CD GLU A 143 40.096 -2.079 1.618 1.00 15.38 C ATOM 1395 OE1 GLU A 143 40.232 -2.833 2.552 1.00 21.28 O ATOM 1396 OE2 GLU A 143 40.926 -1.240 1.335 1.00 21.79 O ATOM 1397 H GLU A 143 38.251 -0.899 -2.955 1.00 0.00 H ATOM 1398 N SER A 144 35.482 -1.011 0.382 1.00 9.09 N ATOM 1399 CA SER A 144 34.495 -0.146 1.144 1.00 9.15 C ATOM 1400 C SER A 144 34.165 -0.810 2.424 1.00 11.16 C ATOM 1401 O SER A 144 34.292 -2.026 2.572 1.00 11.62 O ATOM 1402 CB SER A 144 33.226 0.001 0.282 1.00 11.52 C ATOM 1403 OG SER A 144 33.508 0.660 -0.924 1.00 9.83 O ATOM 1404 HG SER A 144 34.179 0.140 -1.434 1.00 0.00 H ATOM 1405 H SER A 144 35.405 -2.048 0.385 1.00 0.00 H ATOM 1406 N ASP A 145 33.622 -0.044 3.379 1.00 8.18 N ATOM 1407 CA ASP A 145 33.087 -0.626 4.578 1.00 9.04 C ATOM 1408 C ASP A 145 31.684 -0.156 4.933 1.00 9.57 C ATOM 1409 O ASP A 145 31.206 -0.451 5.993 1.00 11.34 O ATOM 1410 CB ASP A 145 34.010 -0.417 5.820 1.00 9.90 C ATOM 1411 CG ASP A 145 34.079 0.964 6.267 1.00 9.85 C ATOM 1412 OD1 ASP A 145 33.437 1.869 5.713 1.00 12.82 O ATOM 1413 OD2 ASP A 145 34.740 1.256 7.241 1.00 11.99 O ATOM 1414 H ASP A 145 33.587 0.987 3.250 1.00 0.00 H ATOM 1415 N THR A 146 31.014 0.479 3.981 1.00 10.56 N ATOM 1416 CA THR A 146 29.639 0.964 4.127 1.00 8.33 C ATOM 1417 C THR A 146 29.089 0.948 2.703 1.00 8.72 C ATOM 1418 O THR A 146 29.783 1.259 1.767 1.00 8.40 O ATOM 1419 CB THR A 146 29.627 2.399 4.622 1.00 8.71 C ATOM 1420 OG1 THR A 146 30.457 2.480 5.794 1.00 15.60 O ATOM 1421 CG2 THR A 146 28.151 2.648 4.928 1.00 5.26 C ATOM 1422 HG1 THR A 146 31.380 2.208 5.562 1.00 0.00 H ATOM 1423 H THR A 146 31.495 0.643 3.074 1.00 0.00 H ATOM 1424 N PHE A 147 27.830 0.569 2.616 1.00 8.99 N ATOM 1425 CA PHE A 147 27.241 0.181 1.312 1.00 8.94 C ATOM 1426 C PHE A 147 25.867 0.843 1.156 1.00 9.46 C ATOM 1427 O PHE A 147 25.123 1.067 2.096 1.00 9.72 O ATOM 1428 CB PHE A 147 27.116 -1.356 1.233 1.00 10.71 C ATOM 1429 CG PHE A 147 28.474 -2.029 1.245 1.00 10.84 C ATOM 1430 CD1 PHE A 147 29.028 -2.348 2.480 1.00 11.93 C ATOM 1431 CD2 PHE A 147 29.199 -2.233 0.157 1.00 11.05 C ATOM 1432 CE1 PHE A 147 30.347 -2.874 2.522 1.00 14.48 C ATOM 1433 CE2 PHE A 147 30.530 -2.804 0.180 1.00 11.68 C ATOM 1434 CZ PHE A 147 31.081 -3.080 1.417 1.00 13.45 C ATOM 1435 H PHE A 147 27.242 0.542 3.473 1.00 0.00 H ATOM 1436 N PHE A 148 25.551 1.106 -0.105 1.00 8.86 N ATOM 1437 CA PHE A 148 24.221 1.583 -0.475 1.00 8.80 C ATOM 1438 C PHE A 148 23.192 0.474 -0.366 1.00 8.94 C ATOM 1439 O PHE A 148 23.525 -0.630 -0.780 1.00 10.31 O ATOM 1440 CB PHE A 148 24.219 2.146 -1.876 1.00 9.25 C ATOM 1441 CG PHE A 148 23.026 3.061 -2.167 1.00 8.54 C ATOM 1442 CD1 PHE A 148 22.866 4.252 -1.435 1.00 8.66 C ATOM 1443 CD2 PHE A 148 22.102 2.721 -3.140 1.00 9.70 C ATOM 1444 CE1 PHE A 148 21.820 5.059 -1.611 1.00 7.56 C ATOM 1445 CE2 PHE A 148 21.034 3.610 -3.356 1.00 10.16 C ATOM 1446 CZ PHE A 148 20.900 4.781 -2.566 1.00 8.87 C ATOM 1447 H PHE A 148 26.267 0.969 -0.847 1.00 0.00 H ATOM 1448 N PRO A 149 21.980 0.657 0.138 1.00 7.87 N ATOM 1449 CA PRO A 149 20.980 -0.394 0.165 1.00 9.95 C ATOM 1450 C PRO A 149 20.579 -0.799 -1.259 1.00 9.03 C ATOM 1451 O PRO A 149 20.699 -0.049 -2.189 1.00 9.17 O ATOM 1452 CB PRO A 149 19.797 0.241 0.921 1.00 11.17 C ATOM 1453 CG PRO A 149 20.371 1.488 1.544 1.00 13.25 C ATOM 1454 CD PRO A 149 21.549 1.925 0.728 1.00 8.75 C ATOM 1455 N GLU A 150 20.005 -1.986 -1.334 1.00 10.30 N ATOM 1456 CA GLU A 150 19.508 -2.513 -2.603 1.00 11.44 C ATOM 1457 C GLU A 150 18.439 -1.562 -3.109 1.00 10.03 C ATOM 1458 O GLU A 150 17.547 -1.113 -2.374 1.00 10.51 O ATOM 1459 CB GLU A 150 18.857 -3.888 -2.287 1.00 13.53 C ATOM 1460 CG GLU A 150 18.244 -4.488 -3.611 1.00 14.25 C ATOM 1461 CD GLU A 150 17.622 -5.835 -3.439 1.00 20.35 C ATOM 1462 OE1 GLU A 150 17.271 -6.351 -4.453 1.00 15.37 O ATOM 1463 OE2 GLU A 150 17.622 -6.388 -2.332 1.00 22.68 O ATOM 1464 H GLU A 150 19.905 -2.558 -0.471 1.00 0.00 H ATOM 1465 N ILE A 151 18.502 -1.338 -4.416 1.00 9.10 N ATOM 1466 CA ILE A 151 17.488 -0.566 -5.142 1.00 9.42 C ATOM 1467 C ILE A 151 16.489 -1.565 -5.781 1.00 8.26 C ATOM 1468 O ILE A 151 16.898 -2.365 -6.664 1.00 9.52 O ATOM 1469 CB ILE A 151 18.096 0.328 -6.225 1.00 9.01 C ATOM 1470 CG1 ILE A 151 19.039 1.391 -5.659 1.00 10.19 C ATOM 1471 CG2 ILE A 151 16.997 1.049 -6.959 1.00 10.00 C ATOM 1472 CD1 ILE A 151 19.790 2.086 -6.719 1.00 12.44 C ATOM 1473 H ILE A 151 19.306 -1.727 -4.949 1.00 0.00 H ATOM 1474 N ASP A 152 15.268 -1.580 -5.284 1.00 8.80 N ATOM 1475 CA ASP A 152 14.228 -2.525 -5.783 1.00 8.44 C ATOM 1476 C ASP A 152 13.685 -1.946 -7.053 1.00 9.36 C ATOM 1477 O ASP A 152 12.884 -0.942 -7.022 1.00 9.21 O ATOM 1478 CB ASP A 152 13.153 -2.703 -4.712 1.00 10.27 C ATOM 1479 CG ASP A 152 11.987 -3.529 -5.150 1.00 11.09 C ATOM 1480 OD1 ASP A 152 11.045 -3.673 -4.345 1.00 15.54 O ATOM 1481 OD2 ASP A 152 11.989 -4.025 -6.314 1.00 10.52 O ATOM 1482 H ASP A 152 15.023 -0.915 -4.523 1.00 0.00 H ATOM 1483 N LEU A 153 14.061 -2.508 -8.210 1.00 9.36 N ATOM 1484 CA LEU A 153 13.689 -1.972 -9.500 1.00 9.30 C ATOM 1485 C LEU A 153 12.255 -2.318 -9.834 1.00 10.64 C ATOM 1486 O LEU A 153 11.797 -1.736 -10.824 1.00 13.07 O ATOM 1487 CB LEU A 153 14.610 -2.527 -10.603 1.00 10.19 C ATOM 1488 CG LEU A 153 16.070 -2.217 -10.400 1.00 8.83 C ATOM 1489 CD1 LEU A 153 16.935 -2.856 -11.522 1.00 12.71 C ATOM 1490 CD2 LEU A 153 16.311 -0.630 -10.302 1.00 11.76 C ATOM 1491 H LEU A 153 14.646 -3.367 -8.178 1.00 0.00 H ATOM 1492 N GLU A 154 11.550 -3.100 -9.049 1.00 9.45 N ATOM 1493 CA GLU A 154 10.118 -3.227 -9.233 1.00 10.84 C ATOM 1494 C GLU A 154 9.436 -1.917 -8.940 1.00 12.19 C ATOM 1495 O GLU A 154 8.420 -1.571 -9.573 1.00 16.09 O ATOM 1496 CB GLU A 154 9.549 -4.328 -8.402 1.00 12.08 C ATOM 1497 CG GLU A 154 8.131 -4.656 -8.884 1.00 15.64 C ATOM 1498 CD GLU A 154 8.055 -5.233 -10.279 1.00 16.43 C ATOM 1499 OE1 GLU A 154 8.755 -6.274 -10.468 1.00 12.26 O ATOM 1500 OE2 GLU A 154 7.200 -4.687 -11.044 1.00 19.69 O ATOM 1501 H GLU A 154 12.022 -3.632 -8.290 1.00 0.00 H ATOM 1502 N LYS A 155 9.949 -1.168 -7.973 1.00 10.32 N ATOM 1503 CA LYS A 155 9.308 0.088 -7.598 1.00 11.35 C ATOM 1504 C LYS A 155 10.101 1.289 -8.112 1.00 9.54 C ATOM 1505 O LYS A 155 9.472 2.301 -8.464 1.00 11.41 O ATOM 1506 CB LYS A 155 9.018 0.184 -6.117 1.00 14.34 C ATOM 1507 CG LYS A 155 10.106 0.202 -5.225 1.00 14.33 C ATOM 1508 CD LYS A 155 9.661 0.143 -3.704 1.00 17.11 C ATOM 1509 CE LYS A 155 10.946 0.364 -2.811 1.00 15.54 C ATOM 1510 NZ LYS A 155 10.533 0.081 -1.376 1.00 17.87 N ATOM 1511 HZ1 LYS A 155 9.773 0.735 -1.100 1.00 0.00 H ATOM 1512 HZ2 LYS A 155 10.193 -0.899 -1.301 1.00 0.00 H ATOM 1513 HZ3 LYS A 155 11.351 0.214 -0.748 1.00 0.00 H ATOM 1514 H LYS A 155 10.811 -1.477 -7.480 1.00 0.00 H ATOM 1515 N TYR A 156 11.418 1.240 -8.151 1.00 9.72 N ATOM 1516 CA TYR A 156 12.215 2.385 -8.686 1.00 8.78 C ATOM 1517 C TYR A 156 12.443 2.307 -10.166 1.00 9.51 C ATOM 1518 O TYR A 156 13.282 1.441 -10.629 1.00 12.82 O ATOM 1519 CB TYR A 156 13.532 2.430 -7.988 1.00 9.67 C ATOM 1520 CG TYR A 156 13.468 2.902 -6.563 1.00 9.11 C ATOM 1521 CD1 TYR A 156 13.465 2.009 -5.492 1.00 9.74 C ATOM 1522 CD2 TYR A 156 13.292 4.247 -6.275 1.00 9.83 C ATOM 1523 CE1 TYR A 156 13.368 2.413 -4.188 1.00 11.38 C ATOM 1524 CE2 TYR A 156 13.140 4.655 -4.949 1.00 9.49 C ATOM 1525 CZ TYR A 156 13.203 3.725 -3.978 1.00 8.34 C ATOM 1526 OH TYR A 156 13.029 4.196 -2.660 1.00 11.42 O ATOM 1527 HH TYR A 156 13.093 3.436 -2.028 1.00 0.00 H ATOM 1528 H TYR A 156 11.909 0.392 -7.804 1.00 0.00 H ATOM 1529 N LYS A 157 11.894 3.227 -10.874 1.00 8.07 N ATOM 1530 CA LYS A 157 12.050 3.236 -12.360 1.00 8.88 C ATOM 1531 C LYS A 157 13.243 4.063 -12.698 1.00 7.56 C ATOM 1532 O LYS A 157 13.367 5.226 -12.239 1.00 7.79 O ATOM 1533 CB LYS A 157 10.808 3.925 -13.040 1.00 9.97 C ATOM 1534 CG LYS A 157 10.969 4.148 -14.499 1.00 20.44 C ATOM 1535 CD LYS A 157 9.592 4.742 -14.970 1.00 25.38 C ATOM 1536 CE LYS A 157 9.529 6.171 -15.425 1.00 26.95 C ATOM 1537 NZ LYS A 157 9.065 5.906 -16.900 1.00 36.49 N ATOM 1538 HZ1 LYS A 157 9.775 5.322 -17.386 1.00 0.00 H ATOM 1539 HZ2 LYS A 157 8.152 5.408 -16.891 1.00 0.00 H ATOM 1540 HZ3 LYS A 157 8.961 6.813 -17.398 1.00 0.00 H ATOM 1541 H LYS A 157 11.336 3.972 -10.409 1.00 0.00 H ATOM 1542 N LEU A 158 14.181 3.592 -13.465 1.00 7.82 N ATOM 1543 CA LEU A 158 15.304 4.348 -14.019 1.00 7.27 C ATOM 1544 C LEU A 158 14.775 5.285 -15.091 1.00 7.21 C ATOM 1545 O LEU A 158 14.139 4.826 -16.073 1.00 9.13 O ATOM 1546 CB LEU A 158 16.328 3.364 -14.570 1.00 7.72 C ATOM 1547 CG LEU A 158 17.528 4.054 -15.230 1.00 6.92 C ATOM 1548 CD1 LEU A 158 18.229 5.057 -14.358 1.00 9.61 C ATOM 1549 CD2 LEU A 158 18.515 2.901 -15.707 1.00 10.09 C ATOM 1550 H LEU A 158 14.128 2.582 -13.708 1.00 0.00 H ATOM 1551 N LEU A 159 14.921 6.555 -14.930 1.00 7.41 N ATOM 1552 CA LEU A 159 14.375 7.509 -15.884 1.00 7.15 C ATOM 1553 C LEU A 159 15.306 7.549 -17.119 1.00 8.17 C ATOM 1554 O LEU A 159 16.522 7.499 -17.035 1.00 8.23 O ATOM 1555 CB LEU A 159 14.296 8.902 -15.277 1.00 7.45 C ATOM 1556 CG LEU A 159 13.439 8.969 -14.018 1.00 8.22 C ATOM 1557 CD1 LEU A 159 13.333 10.424 -13.546 1.00 10.26 C ATOM 1558 CD2 LEU A 159 12.079 8.401 -14.176 1.00 9.67 C ATOM 1559 H LEU A 159 15.440 6.906 -14.100 1.00 0.00 H ATOM 1560 N PRO A 160 14.724 7.794 -18.337 1.00 8.48 N ATOM 1561 CA PRO A 160 15.575 7.743 -19.571 1.00 9.09 C ATOM 1562 C PRO A 160 16.494 8.945 -19.773 1.00 10.88 C ATOM 1563 O PRO A 160 17.551 8.843 -20.364 1.00 12.73 O ATOM 1564 CB PRO A 160 14.552 7.645 -20.721 1.00 11.77 C ATOM 1565 CG PRO A 160 13.254 8.115 -20.119 1.00 16.36 C ATOM 1566 CD PRO A 160 13.303 7.817 -18.587 1.00 10.19 C ATOM 1567 N GLU A 161 16.215 10.028 -19.042 1.00 10.30 N ATOM 1568 CA GLU A 161 17.092 11.199 -18.916 1.00 10.78 C ATOM 1569 C GLU A 161 16.349 12.154 -17.905 1.00 8.89 C ATOM 1570 O GLU A 161 15.238 11.874 -17.511 1.00 9.08 O ATOM 1571 CB GLU A 161 17.360 11.970 -20.211 1.00 11.59 C ATOM 1572 CG GLU A 161 16.019 12.310 -20.877 1.00 12.20 C ATOM 1573 CD GLU A 161 16.208 13.092 -22.142 1.00 12.76 C ATOM 1574 OE1 GLU A 161 17.291 13.574 -22.524 1.00 15.99 O ATOM 1575 OE2 GLU A 161 15.167 13.296 -22.823 1.00 14.39 O ATOM 1576 H GLU A 161 15.312 10.043 -18.525 1.00 0.00 H ATOM 1577 N TYR A 162 17.070 13.180 -17.558 1.00 8.61 N ATOM 1578 CA TYR A 162 16.502 14.117 -16.556 1.00 7.98 C ATOM 1579 C TYR A 162 17.167 15.445 -16.812 1.00 10.02 C ATOM 1580 O TYR A 162 18.385 15.513 -17.018 1.00 9.65 O ATOM 1581 CB TYR A 162 16.776 13.619 -15.148 1.00 8.22 C ATOM 1582 CG TYR A 162 15.895 14.315 -14.113 1.00 7.51 C ATOM 1583 CD1 TYR A 162 14.567 13.977 -13.992 1.00 8.74 C ATOM 1584 CD2 TYR A 162 16.386 15.367 -13.357 1.00 8.92 C ATOM 1585 CE1 TYR A 162 13.742 14.665 -13.063 1.00 9.07 C ATOM 1586 CE2 TYR A 162 15.590 16.098 -12.450 1.00 9.63 C ATOM 1587 CZ TYR A 162 14.255 15.670 -12.341 1.00 10.82 C ATOM 1588 OH TYR A 162 13.475 16.418 -11.472 1.00 13.28 O ATOM 1589 HH TYR A 162 13.864 16.377 -10.563 1.00 0.00 H ATOM 1590 H TYR A 162 18.012 13.338 -17.969 1.00 0.00 H ATOM 1591 N PRO A 163 16.419 16.609 -16.720 1.00 9.00 N ATOM 1592 CA PRO A 163 17.072 17.931 -16.977 1.00 10.16 C ATOM 1593 C PRO A 163 18.106 18.201 -15.970 1.00 8.39 C ATOM 1594 O PRO A 163 17.993 17.963 -14.848 1.00 11.92 O ATOM 1595 CB PRO A 163 15.851 18.913 -16.888 1.00 11.40 C ATOM 1596 CG PRO A 163 14.675 18.031 -17.158 1.00 11.90 C ATOM 1597 CD PRO A 163 14.937 16.686 -16.602 1.00 8.73 C ATOM 1598 N GLY A 164 19.219 18.754 -16.462 1.00 12.32 N ATOM 1599 CA GLY A 164 20.361 19.043 -15.589 1.00 12.68 C ATOM 1600 C GLY A 164 21.244 17.872 -15.281 1.00 13.18 C ATOM 1601 O GLY A 164 22.251 18.088 -14.513 1.00 15.90 O ATOM 1602 H GLY A 164 19.276 18.982 -17.475 1.00 0.00 H ATOM 1603 N VAL A 165 20.976 16.689 -15.830 1.00 10.28 N ATOM 1604 CA VAL A 165 21.818 15.519 -15.571 1.00 8.59 C ATOM 1605 C VAL A 165 22.324 15.055 -16.890 1.00 8.96 C ATOM 1606 O VAL A 165 21.589 14.723 -17.794 1.00 10.10 O ATOM 1607 CB VAL A 165 20.954 14.480 -14.888 1.00 9.85 C ATOM 1608 CG1 VAL A 165 21.843 13.237 -14.557 1.00 9.69 C ATOM 1609 CG2 VAL A 165 20.418 15.005 -13.534 1.00 10.14 C ATOM 1610 H VAL A 165 20.151 16.594 -16.456 1.00 0.00 H ATOM 1611 N LEU A 166 23.655 14.976 -17.015 1.00 9.46 N ATOM 1612 CA LEU A 166 24.254 14.406 -18.222 1.00 9.34 C ATOM 1613 C LEU A 166 24.002 12.928 -18.358 1.00 8.58 C ATOM 1614 O LEU A 166 24.039 12.186 -17.320 1.00 9.10 O ATOM 1615 CB LEU A 166 25.759 14.661 -18.187 1.00 10.85 C ATOM 1616 CG LEU A 166 26.171 16.107 -18.163 1.00 9.85 C ATOM 1617 CD1 LEU A 166 27.720 16.177 -18.042 1.00 13.19 C ATOM 1618 CD2 LEU A 166 25.840 16.836 -19.467 1.00 15.74 C ATOM 1619 H LEU A 166 24.267 15.322 -16.249 1.00 0.00 H ATOM 1620 N SER A 167 23.705 12.455 -19.553 1.00 8.74 N ATOM 1621 CA SER A 167 23.354 11.056 -19.733 1.00 9.44 C ATOM 1622 C SER A 167 24.498 10.121 -20.126 1.00 9.67 C ATOM 1623 O SER A 167 24.312 8.898 -20.127 1.00 11.49 O ATOM 1624 CB SER A 167 22.208 10.902 -20.797 1.00 9.78 C ATOM 1625 OG SER A 167 21.031 11.566 -20.335 1.00 10.89 O ATOM 1626 HG SER A 167 20.741 11.163 -19.478 1.00 0.00 H ATOM 1627 H SER A 167 23.722 13.091 -20.376 1.00 0.00 H ATOM 1628 N ASP A 168 25.589 10.779 -20.535 1.00 11.33 N ATOM 1629 CA ASP A 168 26.765 10.128 -21.087 1.00 11.79 C ATOM 1630 C ASP A 168 27.678 9.521 -20.027 1.00 10.63 C ATOM 1631 O ASP A 168 27.451 9.644 -18.830 1.00 9.98 O ATOM 1632 CB ASP A 168 27.510 11.004 -22.143 1.00 15.81 C ATOM 1633 CG ASP A 168 28.081 12.359 -21.595 1.00 14.68 C ATOM 1634 OD1 ASP A 168 29.165 12.713 -22.096 1.00 26.20 O ATOM 1635 OD2 ASP A 168 27.447 13.083 -20.781 1.00 17.42 O ATOM 1636 H ASP A 168 25.596 11.816 -20.453 1.00 0.00 H ATOM 1637 N VAL A 169 28.694 8.815 -20.479 1.00 9.96 N ATOM 1638 CA VAL A 169 29.738 8.370 -19.544 1.00 9.71 C ATOM 1639 C VAL A 169 30.736 9.482 -19.286 1.00 10.25 C ATOM 1640 O VAL A 169 31.166 10.178 -20.198 1.00 11.85 O ATOM 1641 CB VAL A 169 30.442 7.127 -20.088 1.00 10.46 C ATOM 1642 CG1 VAL A 169 31.586 6.695 -19.200 1.00 12.55 C ATOM 1643 CG2 VAL A 169 29.493 5.980 -20.165 1.00 10.65 C ATOM 1644 H VAL A 169 28.757 8.574 -21.489 1.00 0.00 H ATOM 1645 N GLN A 170 31.072 9.686 -18.028 1.00 9.15 N ATOM 1646 CA GLN A 170 31.995 10.658 -17.548 1.00 9.52 C ATOM 1647 C GLN A 170 33.232 9.873 -17.171 1.00 8.51 C ATOM 1648 O GLN A 170 33.278 8.710 -16.886 1.00 9.36 O ATOM 1649 CB GLN A 170 31.458 11.349 -16.254 1.00 11.65 C ATOM 1650 CG GLN A 170 30.011 11.836 -16.411 1.00 10.99 C ATOM 1651 CD GLN A 170 29.889 12.877 -17.366 1.00 11.15 C ATOM 1652 OE1 GLN A 170 30.513 13.937 -17.231 1.00 13.97 O ATOM 1653 NE2 GLN A 170 29.073 12.671 -18.448 1.00 13.53 N ATOM 1654 HE22 GLN A 170 28.556 11.774 -18.546 1.00 0.00 H ATOM 1655 HE21 GLN A 170 28.971 13.412 -19.171 1.00 0.00 H ATOM 1656 H GLN A 170 30.619 9.078 -17.317 1.00 0.00 H ATOM 1657 N GLU A 171 34.365 10.647 -17.086 1.00 10.45 N ATOM 1658 CA GLU A 171 35.622 10.056 -16.603 1.00 11.37 C ATOM 1659 C GLU A 171 36.505 11.082 -15.964 1.00 12.49 C ATOM 1660 O GLU A 171 36.725 12.120 -16.572 1.00 13.77 O ATOM 1661 CB GLU A 171 36.353 9.437 -17.799 1.00 13.57 C ATOM 1662 CG GLU A 171 37.624 8.621 -17.287 1.00 14.50 C ATOM 1663 CD GLU A 171 38.250 7.716 -18.363 1.00 20.77 C ATOM 1664 OE1 GLU A 171 39.167 6.924 -18.010 1.00 25.58 O ATOM 1665 OE2 GLU A 171 37.762 7.671 -19.492 1.00 21.27 O ATOM 1666 H GLU A 171 34.333 11.649 -17.363 1.00 0.00 H ATOM 1667 N GLU A 172 36.966 10.791 -14.751 1.00 12.17 N ATOM 1668 CA GLU A 172 37.977 11.655 -14.095 1.00 13.20 C ATOM 1669 C GLU A 172 38.937 10.709 -13.395 1.00 13.55 C ATOM 1670 O GLU A 172 38.581 9.667 -12.899 1.00 13.81 O ATOM 1671 CB GLU A 172 37.357 12.566 -13.057 1.00 13.72 C ATOM 1672 CG GLU A 172 36.317 13.555 -13.590 1.00 14.25 C ATOM 1673 CD GLU A 172 35.759 14.385 -12.469 1.00 15.76 C ATOM 1674 OE1 GLU A 172 34.706 14.039 -11.830 1.00 14.90 O ATOM 1675 OE2 GLU A 172 36.360 15.410 -12.138 1.00 16.52 O ATOM 1676 H GLU A 172 36.613 9.947 -14.256 1.00 0.00 H ATOM 1677 N LYS A 173 40.208 11.183 -13.490 1.00 14.33 N ATOM 1678 CA LYS A 173 41.324 10.477 -12.882 1.00 16.10 C ATOM 1679 C LYS A 173 41.316 9.003 -13.273 1.00 15.75 C ATOM 1680 O LYS A 173 41.607 8.188 -12.441 1.00 16.44 O ATOM 1681 CB LYS A 173 41.293 10.667 -11.352 1.00 15.80 C ATOM 1682 CG LYS A 173 41.270 12.122 -10.908 1.00 17.77 C ATOM 1683 CD LYS A 173 42.573 12.776 -11.291 1.00 16.02 C ATOM 1684 CE LYS A 173 42.543 14.153 -10.812 1.00 13.55 C ATOM 1685 NZ LYS A 173 43.679 14.830 -11.444 1.00 22.30 N ATOM 1686 HZ1 LYS A 173 44.562 14.356 -11.166 1.00 0.00 H ATOM 1687 HZ2 LYS A 173 43.573 14.790 -12.478 1.00 0.00 H ATOM 1688 HZ3 LYS A 173 43.705 15.823 -11.135 1.00 0.00 H ATOM 1689 H LYS A 173 40.385 12.068 -14.008 1.00 0.00 H ATOM 1690 N GLY A 174 40.966 8.687 -14.536 1.00 15.31 N ATOM 1691 CA GLY A 174 40.944 7.327 -15.069 1.00 16.62 C ATOM 1692 C GLY A 174 39.785 6.435 -14.619 1.00 16.66 C ATOM 1693 O GLY A 174 39.755 5.201 -14.822 1.00 21.51 O ATOM 1694 H GLY A 174 40.694 9.463 -15.173 1.00 0.00 H ATOM 1695 N ILE A 175 38.791 7.075 -13.927 1.00 14.82 N ATOM 1696 CA ILE A 175 37.644 6.342 -13.379 1.00 14.01 C ATOM 1697 C ILE A 175 36.343 6.766 -14.185 1.00 11.43 C ATOM 1698 O ILE A 175 35.976 7.968 -14.148 1.00 12.81 O ATOM 1699 CB ILE A 175 37.485 6.609 -11.889 1.00 13.74 C ATOM 1700 CG1 ILE A 175 38.735 6.098 -11.159 1.00 18.13 C ATOM 1701 CG2 ILE A 175 36.190 5.934 -11.349 1.00 13.99 C ATOM 1702 CD1 ILE A 175 38.916 6.672 -9.835 1.00 17.82 C ATOM 1703 H ILE A 175 38.851 8.104 -13.787 1.00 0.00 H ATOM 1704 N LYS A 176 35.761 5.811 -14.855 1.00 10.77 N ATOM 1705 CA LYS A 176 34.494 6.106 -15.620 1.00 10.68 C ATOM 1706 C LYS A 176 33.313 6.045 -14.623 1.00 11.32 C ATOM 1707 O LYS A 176 33.242 5.207 -13.699 1.00 11.59 O ATOM 1708 CB LYS A 176 34.270 5.064 -16.675 1.00 11.76 C ATOM 1709 CG LYS A 176 35.294 5.332 -17.866 1.00 14.36 C ATOM 1710 CD LYS A 176 35.075 4.323 -18.935 1.00 18.83 C ATOM 1711 CE LYS A 176 35.845 4.686 -20.207 1.00 25.71 C ATOM 1712 NZ LYS A 176 35.837 3.575 -21.231 1.00 30.64 N ATOM 1713 HZ1 LYS A 176 36.277 2.726 -20.823 1.00 0.00 H ATOM 1714 HZ2 LYS A 176 34.856 3.362 -21.502 1.00 0.00 H ATOM 1715 HZ3 LYS A 176 36.372 3.875 -22.071 1.00 0.00 H ATOM 1716 H LYS A 176 36.167 4.853 -14.862 1.00 0.00 H ATOM 1717 N TYR A 177 32.355 6.942 -14.861 1.00 9.69 N ATOM 1718 CA TYR A 177 31.136 6.932 -14.004 1.00 8.81 C ATOM 1719 C TYR A 177 29.983 7.513 -14.845 1.00 8.69 C ATOM 1720 O TYR A 177 30.209 8.123 -15.882 1.00 9.13 O ATOM 1721 CB TYR A 177 31.307 7.682 -12.700 1.00 9.96 C ATOM 1722 CG TYR A 177 31.668 9.126 -12.806 1.00 9.02 C ATOM 1723 CD1 TYR A 177 30.675 10.131 -12.802 1.00 9.57 C ATOM 1724 CD2 TYR A 177 33.030 9.596 -12.900 1.00 10.22 C ATOM 1725 CE1 TYR A 177 30.986 11.463 -12.834 1.00 9.97 C ATOM 1726 CE2 TYR A 177 33.316 10.931 -12.919 1.00 10.56 C ATOM 1727 CZ TYR A 177 32.303 11.897 -12.876 1.00 10.23 C ATOM 1728 OH TYR A 177 32.511 13.265 -12.907 1.00 11.60 O ATOM 1729 HH TYR A 177 33.066 13.531 -12.132 1.00 0.00 H ATOM 1730 H TYR A 177 32.457 7.635 -15.630 1.00 0.00 H ATOM 1731 N LYS A 178 28.761 7.300 -14.358 1.00 8.64 N ATOM 1732 CA LYS A 178 27.590 7.845 -15.059 1.00 7.58 C ATOM 1733 C LYS A 178 26.564 8.238 -14.068 1.00 7.27 C ATOM 1734 O LYS A 178 26.525 7.711 -12.946 1.00 8.87 O ATOM 1735 CB LYS A 178 27.115 6.849 -16.111 1.00 8.59 C ATOM 1736 CG LYS A 178 26.681 5.533 -15.538 1.00 9.90 C ATOM 1737 CD LYS A 178 26.311 4.525 -16.656 1.00 12.18 C ATOM 1738 CE LYS A 178 25.961 3.228 -15.974 1.00 15.12 C ATOM 1739 NZ LYS A 178 24.933 3.353 -14.938 1.00 36.16 N ATOM 1740 HZ1 LYS A 178 25.264 4.007 -14.200 1.00 0.00 H ATOM 1741 HZ2 LYS A 178 24.058 3.721 -15.362 1.00 0.00 H ATOM 1742 HZ3 LYS A 178 24.750 2.419 -14.519 1.00 0.00 H ATOM 1743 H LYS A 178 28.636 6.750 -13.484 1.00 0.00 H ATOM 1744 N PHE A 179 25.730 9.201 -14.437 1.00 7.92 N ATOM 1745 CA PHE A 179 24.621 9.696 -13.569 1.00 7.64 C ATOM 1746 C PHE A 179 23.310 9.057 -13.948 1.00 7.74 C ATOM 1747 O PHE A 179 22.992 8.997 -15.150 1.00 8.69 O ATOM 1748 CB PHE A 179 24.482 11.219 -13.770 1.00 8.29 C ATOM 1749 CG PHE A 179 25.737 11.990 -13.510 1.00 7.95 C ATOM 1750 CD1 PHE A 179 26.345 12.722 -14.510 1.00 9.39 C ATOM 1751 CD2 PHE A 179 26.284 12.076 -12.194 1.00 8.56 C ATOM 1752 CE1 PHE A 179 27.420 13.545 -14.218 1.00 9.54 C ATOM 1753 CE2 PHE A 179 27.423 12.890 -11.935 1.00 9.78 C ATOM 1754 CZ PHE A 179 27.959 13.597 -12.966 1.00 10.16 C ATOM 1755 H PHE A 179 25.855 9.632 -15.375 1.00 0.00 H ATOM 1756 N GLU A 180 22.542 8.633 -12.973 1.00 7.04 N ATOM 1757 CA GLU A 180 21.222 8.018 -13.170 1.00 7.14 C ATOM 1758 C GLU A 180 20.254 8.713 -12.226 1.00 7.72 C ATOM 1759 O GLU A 180 20.609 9.173 -11.099 1.00 7.45 O ATOM 1760 CB GLU A 180 21.288 6.571 -12.795 1.00 6.54 C ATOM 1761 CG GLU A 180 22.160 5.763 -13.761 1.00 7.77 C ATOM 1762 CD GLU A 180 22.263 4.288 -13.451 1.00 8.42 C ATOM 1763 OE1 GLU A 180 22.698 3.548 -14.362 1.00 11.06 O ATOM 1764 OE2 GLU A 180 21.999 3.885 -12.286 1.00 9.31 O ATOM 1765 H GLU A 180 22.889 8.739 -11.998 1.00 0.00 H ATOM 1766 N VAL A 181 18.977 8.675 -12.572 1.00 6.83 N ATOM 1767 CA VAL A 181 17.925 9.154 -11.696 1.00 7.01 C ATOM 1768 C VAL A 181 16.831 8.062 -11.669 1.00 5.85 C ATOM 1769 O VAL A 181 16.388 7.601 -12.749 1.00 7.07 O ATOM 1770 CB VAL A 181 17.313 10.489 -12.232 1.00 6.12 C ATOM 1771 CG1 VAL A 181 16.245 11.042 -11.197 1.00 9.34 C ATOM 1772 CG2 VAL A 181 18.382 11.528 -12.459 1.00 8.02 C ATOM 1773 H VAL A 181 18.719 8.289 -13.503 1.00 0.00 H ATOM 1774 N TYR A 182 16.431 7.653 -10.512 1.00 6.61 N ATOM 1775 CA TYR A 182 15.352 6.689 -10.300 1.00 6.18 C ATOM 1776 C TYR A 182 14.222 7.315 -9.656 1.00 7.07 C ATOM 1777 O TYR A 182 14.397 8.277 -8.817 1.00 7.49 O ATOM 1778 CB TYR A 182 15.835 5.534 -9.307 1.00 7.67 C ATOM 1779 CG TYR A 182 16.948 4.672 -9.905 1.00 5.85 C ATOM 1780 CD1 TYR A 182 18.258 5.121 -9.937 1.00 7.12 C ATOM 1781 CD2 TYR A 182 16.674 3.496 -10.536 1.00 6.40 C ATOM 1782 CE1 TYR A 182 19.302 4.333 -10.483 1.00 6.88 C ATOM 1783 CE2 TYR A 182 17.670 2.744 -11.118 1.00 8.03 C ATOM 1784 CZ TYR A 182 18.940 3.177 -11.105 1.00 6.34 C ATOM 1785 OH TYR A 182 19.954 2.445 -11.709 1.00 8.65 O ATOM 1786 HH TYR A 182 20.815 2.921 -11.596 1.00 0.00 H ATOM 1787 H TYR A 182 16.910 8.036 -9.672 1.00 0.00 H ATOM 1788 N GLU A 183 12.990 6.862 -9.892 1.00 7.09 N ATOM 1789 CA GLU A 183 11.802 7.444 -9.253 1.00 7.97 C ATOM 1790 C GLU A 183 10.832 6.383 -8.842 1.00 7.30 C ATOM 1791 O GLU A 183 10.544 5.475 -9.651 1.00 8.21 O ATOM 1792 CB GLU A 183 11.144 8.386 -10.258 1.00 7.16 C ATOM 1793 CG GLU A 183 9.916 9.204 -9.704 1.00 9.58 C ATOM 1794 CD GLU A 183 9.437 10.261 -10.691 1.00 11.11 C ATOM 1795 OE1 GLU A 183 8.828 11.176 -10.145 1.00 12.74 O ATOM 1796 OE2 GLU A 183 9.633 10.179 -11.882 1.00 13.62 O ATOM 1797 H GLU A 183 12.866 6.068 -10.552 1.00 0.00 H ATOM 1798 N LYS A 184 10.353 6.375 -7.620 1.00 8.47 N ATOM 1799 CA LYS A 184 9.214 5.534 -7.220 1.00 8.14 C ATOM 1800 C LYS A 184 8.075 6.407 -6.736 1.00 11.26 C ATOM 1801 O LYS A 184 8.235 7.583 -6.345 1.00 9.69 O ATOM 1802 CB LYS A 184 9.590 4.564 -6.067 1.00 10.49 C ATOM 1803 CG LYS A 184 9.640 5.198 -4.677 1.00 10.19 C ATOM 1804 CD LYS A 184 9.718 4.142 -3.607 1.00 10.87 C ATOM 1805 CE LYS A 184 9.919 4.659 -2.206 1.00 13.96 C ATOM 1806 NZ LYS A 184 8.612 5.193 -1.678 1.00 15.57 N ATOM 1807 HZ1 LYS A 184 8.282 5.966 -2.290 1.00 0.00 H ATOM 1808 HZ2 LYS A 184 7.905 4.430 -1.670 1.00 0.00 H ATOM 1809 HZ3 LYS A 184 8.750 5.550 -0.711 1.00 0.00 H ATOM 1810 H LYS A 184 10.796 6.988 -6.906 1.00 0.00 H ATOM 1811 N ASN A 185 6.896 5.829 -6.678 1.00 10.59 N ATOM 1812 CA ASN A 185 5.732 6.554 -6.071 1.00 10.99 C ATOM 1813 C ASN A 185 4.793 5.454 -5.600 1.00 13.85 C ATOM 1814 O ASN A 185 4.075 4.840 -6.391 1.00 18.16 O ATOM 1815 CB ASN A 185 5.033 7.459 -7.098 1.00 11.77 C ATOM 1816 CG ASN A 185 4.095 8.495 -6.456 1.00 14.88 C ATOM 1817 OD1 ASN A 185 3.297 9.095 -7.168 1.00 23.56 O ATOM 1818 ND2 ASN A 185 4.234 8.753 -5.236 1.00 14.85 N ATOM 1819 HD22 ASN A 185 4.923 8.220 -4.667 1.00 0.00 H ATOM 1820 HD21 ASN A 185 3.661 9.500 -4.794 1.00 0.00 H ATOM 1821 H ASN A 185 6.770 4.867 -7.054 1.00 0.00 H ATOM 1822 N ASP A 186 4.788 5.183 -4.307 1.00 15.05 N ATOM 1823 CA ASP A 186 3.979 4.033 -3.798 1.00 17.42 C ATOM 1824 C ASP A 186 3.411 4.491 -2.486 1.00 17.49 C ATOM 1825 O ASP A 186 2.942 3.597 -1.674 1.00 20.66 O ATOM 1826 CB ASP A 186 4.850 2.767 -3.728 1.00 15.38 C ATOM 1827 CG ASP A 186 6.026 2.911 -2.823 1.00 16.90 C ATOM 1828 OD1 ASP A 186 6.251 3.947 -2.146 1.00 15.75 O ATOM 1829 OD2 ASP A 186 6.772 1.898 -2.691 1.00 18.99 O ATOM 1830 OXT ASP A 186 3.411 5.674 -2.136 1.00 17.86 O ATOM 1831 H ASP A 186 5.343 5.765 -3.648 1.00 0.00 H TER 1832 ASP A 186 HETATM 1833 O HOH 1 19.957 12.583 -17.904 1.00 12.45 O HETATM 1834 O HOH 2 20.024 -3.729 0.986 1.00 22.51 O HETATM 1835 O HOH 3 17.305 21.486 15.920 1.00 15.09 O HETATM 1836 O HOH 4 25.674 26.941 13.147 1.00 14.15 O HETATM 1837 O HOH 5 13.024 16.843 15.183 1.00 21.68 O HETATM 1838 O HOH 6 15.001 29.465 3.378 1.00 22.45 O HETATM 1839 O HOH 7 22.589 11.267 -10.420 1.00 10.24 O HETATM 1840 O HOH 8 13.482 -0.163 6.076 1.00 37.45 O HETATM 1841 O HOH 9 26.750 0.490 -8.557 1.00 11.79 O HETATM 1842 O HOH 10 20.564 -2.551 -6.009 1.00 12.01 O HETATM 1843 O HOH 11 15.359 -5.077 -8.330 1.00 9.92 O HETATM 1844 O HOH 12 14.894 -0.239 -2.757 1.00 11.11 O HETATM 1845 O HOH 13 25.559 9.904 -17.153 1.00 8.61 O HETATM 1846 O HOH 14 18.508 8.641 -15.398 1.00 11.10 O HETATM 1847 O HOH 15 32.610 9.998 9.518 1.00 14.19 O HETATM 1848 O HOH 16 8.543 13.699 -2.279 1.00 25.05 O HETATM 1849 O HOH 17 32.236 11.454 -5.016 1.00 21.45 O HETATM 1850 O HOH 18 15.449 29.180 -4.236 1.00 20.30 O HETATM 1851 O HOH 19 19.311 25.541 -1.626 1.00 13.50 O HETATM 1852 O HOH 20 30.799 22.594 0.686 1.00 29.51 O HETATM 1853 O HOH 21 22.274 28.209 4.359 1.00 12.95 O HETATM 1854 O HOH 22 13.603 14.570 16.837 1.00 16.82 O HETATM 1855 O HOH 23 17.714 -5.136 -6.801 1.00 11.00 O HETATM 1856 O HOH 24 21.395 22.581 -11.955 1.00 21.66 O HETATM 1857 O HOH 25 11.132 13.195 -5.772 1.00 17.31 O HETATM 1858 O HOH 26 25.171 15.826 -14.736 1.00 11.27 O HETATM 1859 O HOH 27 28.955 7.767 -23.180 1.00 14.60 O HETATM 1860 O HOH 28 19.123 -2.662 -8.350 1.00 10.95 O HETATM 1861 O HOH 29 23.406 7.760 -17.687 1.00 11.81 O HETATM 1862 O HOH 30 24.520 26.599 4.934 1.00 12.03 O HETATM 1863 O HOH 31 27.085 17.779 -14.620 1.00 14.40 O HETATM 1864 O HOH 32 26.588 -0.392 5.069 1.00 18.41 O HETATM 1865 O HOH 33 12.324 -8.434 -8.328 1.00 13.26 O HETATM 1866 O HOH 34 8.174 6.216 -11.158 1.00 19.21 O HETATM 1867 O HOH 35 25.385 24.638 15.759 1.00 13.73 O HETATM 1868 O HOH 36 7.430 12.247 9.180 1.00 26.98 O HETATM 1869 O HOH 37 12.493 12.132 -17.894 1.00 14.33 O HETATM 1870 O HOH 38 8.413 15.690 -7.462 1.00 14.35 O HETATM 1871 O HOH 39 34.880 -3.789 -0.189 1.00 17.92 O HETATM 1872 O HOH 40 11.398 7.654 5.485 1.00 30.63 O HETATM 1873 O HOH 41 38.862 1.907 -1.433 1.00 17.06 O HETATM 1874 O HOH 42 23.844 4.775 8.637 1.00 21.90 O HETATM 1875 O HOH 43 22.456 25.650 15.040 1.00 14.16 O HETATM 1876 O HOH 44 34.112 13.406 -17.935 1.00 21.88 O HETATM 1877 O HOH 45 39.240 -1.515 -10.606 1.00 45.55 O HETATM 1878 O HOH 46 28.602 1.501 -10.312 1.00 12.53 O HETATM 1879 O HOH 47 18.967 14.062 19.506 1.00 19.40 O HETATM 1880 O HOH 48 18.324 20.709 -7.896 1.00 16.72 O HETATM 1881 O HOH 49 40.477 10.439 -16.803 1.00 26.54 O HETATM 1882 O HOH 50 39.232 14.936 -9.457 1.00 20.47 O HETATM 1883 O HOH 51 31.638 22.321 11.189 1.00 21.22 O HETATM 1884 O HOH 52 13.372 -6.353 -6.859 1.00 11.71 O HETATM 1885 O HOH 53 28.980 -2.058 6.413 1.00 21.69 O HETATM 1886 O HOH 54 39.951 -0.709 -3.820 1.00 21.98 O HETATM 1887 O HOH 55 8.703 24.500 -2.325 1.00 22.94 O HETATM 1888 O HOH 56 26.386 18.654 19.372 1.00 11.67 O HETATM 1889 O HOH 57 9.046 30.646 -7.330 1.00 26.47 O HETATM 1890 O HOH 58 31.220 14.878 -14.812 1.00 17.44 O HETATM 1891 O HOH 59 28.114 0.104 -12.612 1.00 24.20 O HETATM 1892 O HOH 60 22.092 -0.860 -7.541 1.00 19.40 O HETATM 1893 O HOH 61 30.832 20.122 13.315 1.00 11.06 O HETATM 1894 O HOH 62 32.948 -5.113 -1.365 1.00 18.73 O HETATM 1895 O HOH 63 35.022 10.964 8.592 1.00 17.53 O HETATM 1896 O HOH 64 20.263 -1.416 -10.638 1.00 13.46 O HETATM 1897 O HOH 65 20.690 28.824 -1.885 1.00 20.48 O HETATM 1898 O HOH 66 28.448 -4.653 6.056 1.00 25.67 O HETATM 1899 O HOH 67 31.453 6.346 -23.508 1.00 23.14 O HETATM 1900 O HOH 68 33.268 9.835 12.177 1.00 14.85 O HETATM 1901 O HOH 69 14.433 17.594 -9.253 1.00 16.86 O HETATM 1902 O HOH 70 38.297 9.211 7.505 1.00 20.76 O HETATM 1903 O HOH 71 14.595 -7.305 -4.523 1.00 19.32 O HETATM 1904 O HOH 72 11.087 8.209 1.675 1.00 18.63 O HETATM 1905 O HOH 73 8.888 8.150 0.198 1.00 20.54 O HETATM 1906 O HOH 74 33.858 15.669 -15.821 1.00 26.90 O HETATM 1907 O HOH 75 26.697 19.680 -16.542 1.00 23.43 O HETATM 1908 O HOH 76 6.823 3.127 -7.828 1.00 16.15 O HETATM 1909 O HOH 77 27.969 20.561 -12.271 1.00 19.31 O HETATM 1910 O HOH 78 12.827 7.670 10.923 1.00 30.09 O HETATM 1911 O HOH 79 18.855 29.273 5.364 1.00 18.33 O HETATM 1912 O HOH 80 19.944 16.053 -19.679 1.00 22.28 O HETATM 1913 O HOH 81 8.188 10.765 3.610 1.00 27.52 O HETATM 1914 O HOH 82 4.279 20.882 1.777 1.00 40.58 O HETATM 1915 O HOH 83 39.439 5.562 3.679 1.00 22.54 O HETATM 1916 O HOH 84 39.230 0.194 -8.607 1.00 24.30 O HETATM 1917 O HOH 85 33.492 2.793 9.103 1.00 13.03 O HETATM 1918 O HOH 86 16.754 -1.341 0.364 1.00 18.26 O HETATM 1919 O HOH 87 9.974 16.747 14.643 1.00 24.79 O HETATM 1920 O HOH 88 30.029 18.769 -12.501 1.00 17.36 O HETATM 1921 O HOH 89 26.218 25.807 -3.140 1.00 24.52 O HETATM 1922 O HOH 90 23.522 19.986 24.557 1.00 25.03 O HETATM 1923 O HOH 91 40.865 4.474 -3.808 1.00 27.31 O HETATM 1924 O HOH 92 2.345 11.594 -6.296 1.00 22.52 O HETATM 1925 O HOH 93 28.865 23.091 -11.501 1.00 30.11 O HETATM 1926 O HOH 94 13.157 15.975 -7.392 1.00 14.28 O HETATM 1927 O HOH 95 28.700 22.977 -8.368 1.00 21.42 O HETATM 1928 O HOH 96 15.710 20.623 -12.496 1.00 31.72 O HETATM 1929 O HOH 97 17.422 1.838 8.229 1.00 21.28 O HETATM 1930 O HOH 98 19.295 -6.673 4.433 1.00 46.56 O HETATM 1931 O HOH 99 8.545 1.815 -0.602 1.00 18.47 O HETATM 1932 O HOH 100 29.792 17.190 -14.747 1.00 19.16 O HETATM 1933 O HOH 101 39.343 9.326 -1.124 1.00 35.86 O HETATM 1934 O HOH 102 36.420 11.000 -3.085 1.00 31.68 O HETATM 1935 O HOH 103 21.418 -0.288 4.685 1.00 30.46 O HETATM 1936 O HOH 104 28.807 -5.321 -1.557 1.00 24.08 O HETATM 1937 O HOH 105 32.355 21.263 -5.597 1.00 30.30 O HETATM 1938 O HOH 106 25.738 17.059 21.588 1.00 20.69 O HETATM 1939 O HOH 107 14.323 0.542 -13.186 1.00 21.44 O HETATM 1940 O HOH 108 42.773 7.405 -10.083 1.00 29.75 O HETATM 1941 O HOH 109 25.463 -3.120 4.183 1.00 29.26 O HETATM 1942 O HOH 110 3.951 1.590 -0.071 1.00 28.84 O HETATM 1943 O HOH 111 38.330 16.484 -13.446 1.00 30.29 O HETATM 1944 O HOH 112 20.215 22.176 -14.342 1.00 31.73 O HETATM 1945 O HOH 113 24.017 -3.181 -0.619 1.00 24.04 O HETATM 1946 O HOH 114 30.186 -0.965 -14.095 1.00 34.29 O HETATM 1947 O HOH 115 26.351 -4.489 -0.188 1.00 25.41 O HETATM 1948 O HOH 116 32.158 24.658 9.903 1.00 26.03 O HETATM 1949 O HOH 117 29.290 14.376 -20.819 1.00 27.63 O HETATM 1950 O HOH 118 10.112 6.374 -19.891 1.00 30.58 O HETATM 1951 O HOH 119 19.068 27.831 -6.018 1.00 26.08 O HETATM 1952 O HOH 120 10.402 -6.331 -3.497 1.00 38.33 O HETATM 1953 O HOH 121 9.521 32.025 -0.506 1.00 48.63 O HETATM 1954 O HOH 122 22.060 24.902 17.446 1.00 16.18 O HETATM 1955 O HOH 123 21.973 -0.058 7.150 1.00 39.41 O HETATM 1956 O HOH 124 28.635 19.800 -18.543 1.00 33.81 O HETATM 1957 O HOH 125 8.109 25.320 1.963 1.00 30.64 O HETATM 1958 O HOH 126 30.654 18.471 -16.966 1.00 23.23 O HETATM 1959 O HOH 127 41.308 0.504 -5.968 1.00 34.99 O HETATM 1960 O HOH 128 22.023 6.383 19.419 1.00 23.47 O HETATM 1961 O HOH 129 25.376 28.393 -2.453 1.00 26.74 O HETATM 1962 O HOH 130 4.458 11.276 -1.488 1.00 27.48 O HETATM 1963 O HOH 131 31.122 1.032 8.794 1.00 22.23 O HETATM 1964 O HOH 132 29.658 17.421 -20.924 1.00 33.70 O HETATM 1965 O HOH 133 26.446 -2.196 -9.067 1.00 24.64 O HETATM 1966 O HOH 134 38.867 11.593 -0.404 1.00 31.14 O HETATM 1967 O HOH 135 2.690 7.910 -3.316 1.00 33.59 O HETATM 1968 O HOH 136 19.748 31.121 -0.880 1.00 30.37 O HETATM 1969 O HOH 137 16.287 19.565 -9.354 1.00 24.30 O HETATM 1970 O HOH 138 14.669 30.951 -6.399 1.00 48.67 O HETATM 1971 O HOH 139 31.226 -5.672 -8.102 1.00 26.32 O HETATM 1972 O HOH 140 13.156 -0.564 -0.573 1.00 23.41 O HETATM 1973 O HOH 141 17.074 31.592 -1.166 1.00 34.10 O HETATM 1974 O HOH 142 33.773 22.154 13.173 1.00 28.20 O HETATM 1975 O HOH 143 28.062 10.797 -25.818 1.00 28.71 O HETATM 1976 O HOH 144 5.281 0.969 -6.950 1.00 29.91 O HETATM 1977 O HOH 145 39.473 5.588 0.157 1.00 31.63 O HETATM 1978 O HOH 146 32.889 26.051 6.687 1.00 29.64 O HETATM 1979 O HOH 147 4.862 13.401 -0.684 1.00 39.80 O HETATM 1980 O HOH 148 2.083 6.721 0.024 1.00 30.62 O HETATM 1981 O HOH 149 41.463 1.520 -0.934 1.00 35.28 O HETATM 1982 O HOH 150 9.970 9.105 6.532 1.00 29.27 O HETATM 1983 O HOH 151 28.768 25.373 -2.193 1.00 26.83 O HETATM 1984 O HOH 152 30.872 11.088 -22.763 1.00 34.85 O HETATM 1985 O HOH 153 18.435 -6.302 0.107 1.00 36.45 O HETATM 1986 O HOH 154 20.381 7.114 16.010 1.00 26.50 O HETATM 1987 O HOH 155 42.047 -1.670 -2.258 1.00 38.59 O HETATM 1988 O HOH 156 13.415 34.313 1.856 1.00 39.91 O HETATM 1989 O HOH 157 38.781 -3.233 -5.016 1.00 41.74 O HETATM 1990 O HOH 158 5.959 -0.528 -3.226 1.00 24.31 O HETATM 1991 O HOH 159 42.322 4.066 -5.711 1.00 34.98 O HETATM 1992 O HOH 160 10.753 -2.783 -1.818 1.00 25.64 O HETATM 1993 O HOH 161 18.161 8.472 23.157 1.00 42.38 O HETATM 1994 O HOH 162 26.778 -2.263 -11.737 1.00 44.25 O HETATM 1995 O HOH 163 22.607 -3.632 1.464 1.00 37.81 O HETATM 1996 O HOH 164 35.225 15.830 10.878 1.00 24.53 O HETATM 1997 O HOH 165 10.228 -0.918 1.264 1.00 26.58 O HETATM 1998 O HOH 166 30.866 23.344 -6.476 1.00 30.21 O HETATM 1999 O HOH 167 30.951 -6.232 -0.041 1.00 21.85 O HETATM 2000 O HOH 168 19.786 0.032 8.687 1.00 37.82 O HETATM 2001 O HOH 169 19.966 4.592 19.158 1.00 33.70 O HETATM 2002 O HOH 170 36.492 14.854 -16.979 1.00 42.45 O HETATM 2003 O HOH 171 31.967 20.676 -13.620 1.00 34.48 O HETATM 2004 O HOH 172 27.963 20.139 23.248 1.00 32.44 O HETATM 2005 O HOH 173 32.080 12.974 -20.561 1.00 31.95 O HETATM 2006 O HOH 174 22.813 26.516 -7.481 1.00 32.92 O HETATM 2007 O HOH 175 23.462 -1.048 3.001 1.00 29.50 O HETATM 2008 O HOH 176 13.366 2.061 -16.494 1.00 23.66 O HETATM 2009 O HOH 177 15.987 -5.124 5.470 1.00 47.11 O HETATM 2010 O HOH 178 18.036 5.058 10.067 1.00 34.23 O HETATM 2011 O HOH 179 11.401 4.951 -16.765 1.00 28.24 O HETATM 2012 O HOH 180 18.168 19.164 -11.868 1.00 27.49 O HETATM 2013 O HOH 181 10.333 9.138 4.109 1.00 22.17 O HETATM 2014 O HOH 182 23.771 19.435 -17.125 1.00 28.55 O HETATM 2015 O HOH 183 36.484 -4.051 -3.737 1.00 41.31 O HETATM 2016 O HOH 184 32.198 7.453 13.261 1.00 14.06 O HETATM 2017 O HOH 185 26.300 28.602 5.607 1.00 14.90 O HETATM 2018 O HOH 186 13.819 18.923 -13.286 1.00 18.93 O HETATM 2019 O HOH 187 27.129 15.397 2.419 1.00 20.86 O HETATM 2020 O HOH 188 4.155 13.879 -5.535 1.00 15.33 O HETATM 2021 O HOH 189 35.624 14.973 -3.570 1.00 28.94 O HETATM 2022 O HOH 190 42.903 0.598 3.661 1.00 18.55 O HETATM 2023 O HOH 191 29.718 -6.783 -6.283 1.00 35.29 O HETATM 2024 O HOH 192 6.526 15.400 5.429 1.00 36.65 O HETATM 2025 O HOH 193 7.801 12.989 1.992 1.00 61.15 O HETATM 2026 O HOH 194 6.021 14.372 7.771 1.00 38.81 O HETATM 2027 O HOH 195 44.619 1.940 0.963 1.00 32.24 O HETATM 2028 O HOH 196 3.033 22.989 6.795 1.00 39.64 O HETATM 2029 O HOH 197 28.959 28.399 6.332 1.00 18.76 O HETATM 2030 O HOH 198 28.971 28.204 9.109 1.00 21.89 O HETATM 2031 O HOH 199 31.906 7.648 8.396 1.00 21.96 O HETATM 2032 O HOH 200 31.280 16.186 -18.655 1.00 24.16 O HETATM 2033 O HOH 201 19.240 21.337 -10.452 1.00 21.21 O HETATM 2034 O HOH 202 29.087 -5.907 3.996 1.00 23.22 O HETATM 2035 O HOH 203 30.767 27.193 10.251 1.00 28.26 O HETATM 2036 O HOH 204 9.970 -1.298 -12.798 1.00 31.03 O HETATM 2037 O HOH 205 30.074 19.854 17.180 1.00 12.64 O HETATM 2038 O HOH 206 25.323 29.647 3.249 1.00 13.99 O HETATM 2039 O HOH 207 27.675 21.537 -14.893 1.00 29.53 O HETATM 2040 O HOH 208 24.200 11.181 -8.018 1.00 7.83 O HETATM 2041 O HOH 209 23.151 9.388 13.082 1.00 15.90 O HETATM 2042 O HOH 210 27.815 9.172 -1.706 1.00 18.02 O HETATM 2043 O HOH 211 22.148 7.793 11.162 1.00 19.01 O HETATM 2044 O HOH 212 19.531 9.207 14.233 1.00 19.52 O HETATM 2045 O HOH 213 22.733 15.163 -22.273 1.00 20.78 O HETATM 2046 O HOH 214 19.477 8.057 11.827 1.00 22.64 O HETATM 2047 O HOH 215 12.741 7.272 18.529 1.00 25.46 O HETATM 2048 O HOH 216 27.050 8.351 3.724 1.00 29.98 O HETATM 2049 O HOH 217 0.000 0.000 -1.395 1.00 28.41 O HETATM 2050 O HOH 218 16.616 7.976 11.235 1.00 22.74 O HETATM 2051 O HOH 219 26.672 9.001 1.028 1.00 29.24 O HETATM 2052 O HOH 220 16.009 6.081 13.106 1.00 31.27 O HETATM 2053 O HOH 221 4.401 -4.524 -8.947 1.00 36.13 O HETATM 2054 O HOH 222 11.854 6.549 7.971 1.00 29.82 O HETATM 2055 O HOH 223 26.688 26.160 -5.679 1.00 32.53 O HETATM 2056 O HOH 224 26.241 27.424 10.372 1.00 15.05 O HETATM 2057 O HOH 225 20.756 10.219 -16.536 1.00 13.21 O HETATM 2058 O HOH 226 9.308 13.501 -3.958 1.00 14.47 O HETATM 2059 O HOH 227 30.462 26.188 5.272 1.00 20.40 O HETATM 2060 O HOH 228 25.562 14.078 23.745 1.00 21.67 O HETATM 2061 O HOH 229 11.127 2.614 5.866 1.00 26.56 O HETATM 2062 O HOH 230 18.084 23.984 15.807 1.00 15.85 O HETATM 2063 O HOH 231 33.606 12.410 -23.139 1.00 58.19 O HETATM 2064 O HOH 232 35.768 11.464 -20.906 1.00 38.94 O HETATM 2065 O HOH 233 14.789 20.729 15.464 1.00 40.13 O HETATM 2066 O HOH 234 36.002 12.185 4.912 1.00 26.01 O HETATM 2067 O HOH 235 9.873 4.459 7.463 1.00 40.43 O HETATM 2068 O HOH 236 19.787 18.862 -19.267 1.00 19.30 O HETATM 2069 O HOH 237 7.829 1.496 5.301 1.00 39.07 O HETATM 2070 O HOH 238 23.615 0.875 -14.077 1.00 24.34 O HETATM 2071 O HOH 239 26.458 15.244 -22.502 1.00 39.33 O HETATM 2072 O HOH 240 8.151 18.836 14.389 1.00 37.17 O HETATM 2073 O HOH 241 23.044 11.330 24.657 1.00 29.91 O HETATM 2074 O HOH 242 34.973 -2.002 -14.240 1.00 42.98 O HETATM 2075 O HOH 243 22.175 8.884 23.783 1.00 38.89 O HETATM 2076 O HOH 244 41.023 6.603 1.912 1.00 30.48 O HETATM 2077 O HOH 245 38.446 21.229 5.130 1.00 38.33 O HETATM 2078 O HOH 246 13.207 -3.580 -0.959 1.00 68.25 O HETATM 2079 O HOH 247 7.563 11.907 -0.558 1.00 28.15 O HETATM 2080 O HOH 248 12.989 18.128 17.317 1.00 35.23 O HETATM 2081 O HOH 249 14.663 15.073 -19.272 1.00 18.17 O HETATM 2082 O HOH 250 22.792 -2.922 -10.693 1.00 36.27 O HETATM 2083 O HOH 251 23.958 -0.723 -11.981 1.00 33.69 O HETATM 2084 O HOH 252 4.953 18.391 11.570 1.00 37.42 O HETATM 2085 O HOH 253 43.241 7.717 1.733 1.00 32.52 O HETATM 2086 O HOH 254 3.694 4.657 -9.119 1.00 31.82 O HETATM 2087 O HOH 255 5.131 28.313 2.941 1.00 44.44 O HETATM 2088 O HOH 256 26.323 0.447 -14.495 1.00 28.38 O HETATM 2089 O HOH 257 17.405 12.986 21.522 1.00 28.86 O HETATM 2090 O HOH 258 6.368 -4.074 -5.851 1.00 34.74 O HETATM 2091 O HOH 259 41.284 12.418 0.014 1.00 42.18 O HETATM 2092 O HOH 260 19.641 23.095 20.339 1.00 17.94 O HETATM 2093 O HOH 261 16.122 29.450 5.732 1.00 21.35 O HETATM 2094 O HOH 262 23.722 31.526 0.209 1.00 30.68 O HETATM 2095 O HOH 263 21.912 28.484 -5.871 1.00 40.29 O HETATM 2096 O HOH 264 36.820 3.030 -15.258 1.00 19.75 O HETATM 2097 O HOH 265 15.897 18.090 18.098 1.00 24.70 O HETATM 2098 O HOH 266 34.847 1.318 -15.897 1.00 20.06 O HETATM 2099 O HOH 267 15.148 0.564 7.650 1.00 28.34 O HETATM 2100 O HOH 268 41.148 2.979 -10.372 1.00 32.89 O HETATM 2101 O HOH 269 35.246 7.835 -20.849 1.00 31.36 O HETATM 2102 O HOH 270 32.982 1.141 -18.012 1.00 24.62 O HETATM 2103 O HOH 271 33.492 26.047 -8.212 1.00 52.79 O HETATM 2104 O HOH 272 24.245 5.181 20.763 1.00 34.75 O HETATM 2105 O HOH 273 27.367 -5.358 -6.662 1.00 37.20 O HETATM 2106 O HOH 274 36.678 13.018 -19.598 1.00 31.75 O HETATM 2107 O HOH 275 5.844 -0.204 -9.855 1.00 34.28 O HETATM 2108 O HOH 276 10.985 -0.038 6.103 1.00 29.55 O HETATM 2109 O HOH 277 41.701 4.274 -16.743 1.00 42.34 O HETATM 2110 O HOH 278 24.317 -3.697 -7.747 1.00 40.90 O HETATM 2111 O HOH 279 18.328 28.731 -3.448 1.00 40.10 O HETATM 2112 O HOH 280 31.423 -0.858 -17.164 1.00 35.51 O HETATM 2113 O HOH 281 13.102 31.518 3.588 1.00 34.94 O HETATM 2114 O HOH 282 39.029 6.706 -21.645 1.00 40.78 O HETATM 2115 O HOH 283 27.355 24.851 -10.737 1.00 44.15 O HETATM 2116 O HOH 284 17.351 15.381 -20.307 1.00 33.27 O HETATM 2117 O HOH 285 12.341 0.059 -14.901 1.00 27.03 O HETATM 2118 O HOH 286 14.440 21.446 -10.142 1.00 27.21 O HETATM 2119 O HOH 287 12.111 6.178 13.948 1.00 43.12 O HETATM 2120 O HOH 288 40.468 1.510 -16.035 1.00 40.47 O HETATM 2121 O HOH 289 29.973 -7.421 -3.854 1.00 44.44 O HETATM 2122 O HOH 290 13.040 -6.293 -2.733 1.00 36.62 O HETATM 2123 O HOH 291 -1.081 3.776 -1.251 1.00 35.82 O HETATM 2124 O HOH 292 25.038 2.574 11.379 1.00 31.61 O HETATM 2125 O HOH 293 30.800 24.816 -4.111 1.00 33.90 O HETATM 2126 O HOH 294 17.357 20.486 18.501 1.00 26.72 O HETATM 2127 O HOH 295 30.895 27.582 -4.651 1.00 38.62 O HETATM 2128 O HOH 296 14.979 -9.604 -0.595 1.00 37.73 O HETATM 2129 O HOH 297 40.602 16.588 -7.873 1.00 40.71 O HETATM 2130 O HOH 298 8.574 8.058 -13.088 1.00 17.99 O HETATM 2131 O HOH 299 27.615 6.794 17.462 1.00 33.70 O HETATM 2132 O HOH 300 4.174 16.622 7.424 1.00 46.94 O HETATM 2133 O HOH 301 1.026 3.995 0.213 1.00 46.13 O HETATM 2134 O HOH 302 3.533 24.956 10.476 1.00 45.24 O HETATM 2135 O HOH 303 4.172 5.529 5.931 1.00 36.65 O HETATM 2136 O HOH 304 11.187 8.450 15.062 1.00 40.16 O HETATM 2137 O HOH 305 21.027 -1.833 3.508 1.00 36.46 O HETATM 2138 O HOH 306 16.515 19.221 -12.867 1.00 30.94 O HETATM 2139 O HOH 307 9.733 23.343 11.891 1.00 32.11 O HETATM 2140 O HOH 308 8.925 -2.774 -12.409 1.00 29.12 O HETATM 2141 O HOH 309 43.829 10.864 -8.085 1.00 33.45 O HETATM 2142 O HOH 310 8.486 15.851 0.235 1.00 30.57 O HETATM 2143 O HOH 311 12.262 -0.560 -12.833 1.00 35.61 O HETATM 2144 O HOH 312 36.450 19.366 -5.010 1.00 38.92 O HETATM 2145 O HOH 313 16.799 12.529 25.396 1.00 51.51 O HETATM 2146 O HOH 314 15.074 -4.005 3.252 1.00 45.56 O HETATM 2147 O HOH 315 32.264 -4.074 -14.807 1.00 43.05 O HETATM 2148 O HOH 316 22.739 31.800 -2.673 1.00 53.86 O HETATM 2149 O HOH 317 11.473 33.188 10.251 1.00 32.44 O HETATM 2150 O HOH 318 45.594 12.878 -9.664 1.00 42.03 O HETATM 2151 O HOH 319 41.676 4.573 -8.503 1.00 37.52 O HETATM 2152 O HOH 320 7.554 10.395 7.216 1.00 39.55 O HETATM 2153 O HOH 321 2.215 1.333 2.101 1.00 38.69 O HETATM 2154 O HOH 322 26.666 24.511 -7.031 1.00 37.71 O HETATM 2155 O HOH 323 12.086 33.091 4.905 1.00 36.58 O HETATM 2156 O HOH 324 38.635 3.368 -17.347 1.00 42.33 O HETATM 2157 O HOH 325 22.127 25.195 -11.703 1.00 37.22 O HETATM 2158 O HOH 326 34.881 19.908 -6.795 1.00 28.29 O HETATM 2159 O HOH 327 6.874 23.960 -0.077 1.00 42.36 O HETATM 2160 O HOH 328 19.398 24.610 18.180 1.00 18.26 O HETATM 2161 O HOH 329 31.762 4.390 12.034 1.00 24.89 O HETATM 2162 O HOH 330 8.968 -5.064 -5.079 1.00 30.65 O HETATM 2163 O HOH 331 29.290 11.056 1.852 1.00 35.87 O HETATM 2164 O HOH 332 36.882 -2.881 -10.840 1.00 22.45 O HETATM 2165 O HOH 333 38.521 11.114 5.820 1.00 35.06 O HETATM 2166 O HOH 334 13.429 15.624 19.455 1.00 40.73 O HETATM 2167 O HOH 335 33.874 9.953 -20.909 1.00 30.22 O HETATM 2168 O HOH 336 6.427 33.766 5.970 1.00 51.75 O HETATM 2169 O HOH 337 34.707 13.187 -5.221 1.00 26.62 O HETATM 2170 O HOH 338 36.204 14.891 7.824 1.00 35.01 O HETATM 2171 O HOH 339 22.119 -0.771 -4.524 1.00 28.41 O HETATM 2172 O HOH 340 42.412 7.813 -2.857 1.00 32.98 O HETATM 2173 O HOH 341 17.001 16.217 19.799 1.00 27.74 O HETATM 2174 O HOH 342 6.442 0.870 0.897 1.00 29.81 O HETATM 2175 O HOH 343 21.245 7.510 22.269 1.00 37.63 O HETATM 2176 O HOH 344 8.961 15.816 2.889 1.00 40.05 O HETATM 2177 O HOH 345 5.765 4.114 -10.464 1.00 40.70 O HETATM 2178 O HOH 346 18.902 31.879 4.552 1.00 27.10 O HETATM 2179 C1 OAG A 347 30.088 13.989 0.899 1.00 0.06 C HETATM 2180 N1 OAG A 347 31.233 13.211 1.316 1.00 -0.31 N HETATM 2181 C1' OAG A 347 32.427 13.693 1.051 1.00 0.05 C HETATM 2182 C11 OAG A 347 33.528 13.001 1.519 1.00 0.06 C HETATM 2183 CL2 OAG A 347 33.426 11.576 2.458 1.00 -0.08 CL HETATM 2184 C3' OAG A 347 34.704 13.641 1.251 1.00 -0.06 C HETATM 2185 C12 OAG A 347 34.968 14.695 0.462 1.00 -0.06 C HETATM 2186 C5' OAG A 347 33.879 15.323 0.042 1.00 0.03 C HETATM 2187 CL5 OAG A 347 34.341 16.654 -0.836 1.00 -0.07 CL HETATM 2188 C6' OAG A 347 32.580 14.872 0.297 1.00 -0.03 C HETATM 2189 H OAG A 347 31.718 15.414 -0.074 1.00 0.05 H HETATM 2190 H OAG A 347 35.973 15.002 0.195 1.00 0.05 H HETATM 2191 H OAG A 347 35.568 13.230 1.760 1.00 0.06 H HETATM 2192 H OAG A 347 31.117 12.311 1.803 1.00 0.18 H HETATM 2193 C10 OAG A 347 29.742 13.666 -0.571 1.00 0.01 C HETATM 2194 C9 OAG A 347 28.438 13.220 -0.783 1.00 -0.02 C HETATM 2195 C4A OAG A 347 27.990 12.872 -2.044 1.00 0.07 C HETATM 2196 C4' OAG A 347 26.717 12.342 -2.230 1.00 0.14 C HETATM 2197 N3' OAG A 347 26.268 12.032 -3.479 1.00 -0.24 N HETATM 2198 C2' OAG A 347 27.141 12.185 -4.482 1.00 0.16 C HETATM 2199 N1' OAG A 347 28.438 12.585 -4.297 1.00 -0.28 N HETATM 2200 C8A OAG A 347 28.911 12.933 -3.059 1.00 0.09 C HETATM 2201 N8' OAG A 347 30.168 13.391 -2.878 1.00 -0.29 N HETATM 2202 C7' OAG A 347 30.586 13.762 -1.670 1.00 0.01 C HETATM 2203 H OAG A 347 31.593 14.142 -1.543 1.00 0.09 H HETATM 2204 N2' OAG A 347 26.709 11.864 -5.716 1.00 -0.31 N HETATM 2205 H OAG A 347 27.340 11.963 -6.524 1.00 0.18 H HETATM 2206 H OAG A 347 25.748 11.520 -5.852 1.00 0.18 H HETATM 2207 N4' OAG A 347 25.788 12.188 -1.280 1.00 -0.31 N HETATM 2208 H OAG A 347 26.017 12.394 -0.297 1.00 0.19 H HETATM 2209 H OAG A 347 24.843 11.864 -1.531 1.00 0.19 H HETATM 2210 H OAG A 347 27.760 13.144 0.060 1.00 0.07 H HETATM 2211 H OAG A 347 30.321 15.060 0.992 1.00 0.07 H HETATM 2212 H OAG A 347 29.227 13.744 1.539 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 2179 2180 2193 2211 2212 CONECT 2180 2179 2181 2192 CONECT 2181 2180 2182 2188 CONECT 2182 2181 2183 2184 CONECT 2183 2182 CONECT 2184 2182 2185 2191 CONECT 2185 2184 2186 2190 CONECT 2186 2185 2187 2188 CONECT 2187 2186 CONECT 2188 2181 2186 2189 CONECT 2189 2188 CONECT 2190 2185 CONECT 2191 2184 CONECT 2192 2180 CONECT 2193 2179 2194 2202 CONECT 2194 2193 2195 2210 CONECT 2195 2194 2196 2200 CONECT 2196 2195 2197 2207 CONECT 2197 2196 2198 CONECT 2198 2197 2199 2204 CONECT 2199 2198 2200 CONECT 2200 2195 2199 2201 CONECT 2201 2200 2202 CONECT 2202 2193 2201 2203 CONECT 2203 2202 CONECT 2204 2198 2205 2206 CONECT 2205 2204 CONECT 2206 2204 CONECT 2207 2196 2208 2209 CONECT 2208 2207 CONECT 2209 2207 CONECT 2210 2194 CONECT 2211 2179 CONECT 2212 2179 MASTER 0 0 0 0 0 0 0 0 2211 1 38 15 END
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Related entries of code: 4g95
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3oaf
RCSB PDB
PDBbind
OAG
Entry Information
PDB ID
4g95
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Dihydrofolate reductase, DHFR
Ligand Name
OAG
EC.Number
E.C.1.5.1.3
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=24.4nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Antimicrob.Agents Chemother. Vol. 57: pp. 2669-2677
Ligand Properties
Formula
C
1
4
H
1
2
Cl
2
N
6
Molecular Weight
335.191
Exact Mass
334.050
No. of atoms
34
No. of bonds
36
Polar Surface Area
102.74
LOGP Value
2.84 (
Computed with XLOGP3
)
4.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
Clc1ccc(c(c1)NCc1cnc2c(c1)c(N)nc(n2)N)Cl
InChI String
InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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):
P00374
Entrez Gene ID
NCBI Entrez Gene ID:
1719
ASD
Information of known allosteric effects of PDB entries
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