Browse entries in the PDBbind-CN Database
HEADER 5VWI_COMPLEX COMPND 5VWI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 30 GLY SER VAL GLU GLU ILE ARG LEU PRO ARG ALA GLY GLY SEQRES 2 A 30 PRO LEU GLY LEU SER ILE VAL GLY GLY SER ASP HIS SER SEQRES 3 A 30 SER HIS PRO PHE SEQRES 1 A 62 VAL GLN GLU PRO GLY VAL PHE ILE SER LYS VAL LEU PRO SEQRES 2 A 62 ARG GLY LEU ALA ALA ARG SER GLY LEU ARG VAL GLY ASP SEQRES 3 A 62 ARG ILE LEU ALA VAL ASN GLY GLN ASP VAL ARG ASP ALA SEQRES 4 A 62 THR HIS GLN GLU ALA VAL SER ALA LEU LEU ARG PRO CYS SEQRES 5 A 62 LEU GLU LEU SER LEU LEU VAL ARG ARG ASP SEQRES 1 B 28 LEU GLY SER VAL GLU GLU ILE ARG LEU PRO ARG ALA GLY SEQRES 2 B 28 GLY PRO LEU GLY LEU SER ILE VAL GLY GLY SER ASP HIS SEQRES 3 B 28 SER SER SEQRES 1 B 50 GLU PRO GLY VAL PHE ILE SER LYS VAL LEU PRO ARG GLY SEQRES 2 B 50 LEU ALA ALA ARG SER GLY LEU ARG VAL GLY ASP ARG ILE SEQRES 3 B 50 LEU ALA VAL ASN GLY GLN ASP VAL ARG ASP ALA THR HIS SEQRES 4 B 50 GLN GLU ALA VAL SER ALA LEU LEU ARG PRO CYS SEQRES 1 B 9 GLU LEU SER LEU LEU VAL ARG ARG ASP HET PRO A 347 125 ATOM 1 N GLY A 10 29.360 16.511 29.150 1.00 50.93 N ATOM 2 CA GLY A 10 28.099 15.869 28.792 1.00 43.68 C ATOM 3 C GLY A 10 27.329 16.636 27.737 1.00 29.68 C ATOM 4 O GLY A 10 27.829 17.671 27.217 1.00 29.85 O ATOM 5 HN3 GLY A 10 29.169 17.463 29.524 1.00 0.00 H ATOM 6 HN2 GLY A 10 29.963 16.583 28.306 1.00 0.00 H ATOM 7 HN1 GLY A 10 29.843 15.943 29.875 1.00 0.00 H ATOM 8 N SER A 11 26.125 16.141 27.402 1.00 27.28 N ATOM 9 CA SER A 11 25.320 16.728 26.347 1.00 34.96 C ATOM 10 C SER A 11 23.837 16.478 26.582 1.00 30.99 C ATOM 11 O SER A 11 23.426 15.451 27.134 1.00 27.97 O ATOM 12 CB SER A 11 25.683 16.165 24.981 1.00 29.26 C ATOM 13 OG SER A 11 25.040 14.932 24.817 1.00 43.48 O ATOM 14 HG SER A 11 24.060 15.061 24.878 1.00 0.00 H ATOM 15 H SER A 11 25.760 15.313 27.914 1.00 0.00 H ATOM 16 N VAL A 12 23.039 17.388 26.097 1.00 24.23 N ATOM 17 CA VAL A 12 21.616 17.170 25.908 1.00 23.07 C ATOM 18 C VAL A 12 21.403 16.900 24.426 1.00 23.22 C ATOM 19 O VAL A 12 21.987 17.579 23.570 1.00 24.16 O ATOM 20 CB VAL A 12 20.820 18.389 26.411 1.00 28.94 C ATOM 21 CG1 VAL A 12 19.438 18.341 25.963 1.00 42.08 C ATOM 22 CG2 VAL A 12 20.850 18.410 27.938 1.00 44.13 C ATOM 23 H VAL A 12 23.440 18.311 25.834 1.00 0.00 H ATOM 24 N GLU A 13 20.527 15.953 24.107 1.00 21.38 N ATOM 25 CA GLU A 13 20.402 15.479 22.733 1.00 20.53 C ATOM 26 C GLU A 13 18.941 15.475 22.308 1.00 20.81 C ATOM 27 O GLU A 13 18.073 15.044 23.062 1.00 21.34 O ATOM 28 CB GLU A 13 20.958 14.076 22.598 1.00 24.62 C ATOM 29 CG GLU A 13 22.451 13.999 22.881 1.00 21.71 C ATOM 30 CD GLU A 13 22.948 12.597 22.795 1.00 25.08 C ATOM 31 OE1 GLU A 13 23.052 11.935 23.841 1.00 26.04 O ATOM 32 OE2 GLU A 13 23.250 12.160 21.669 1.00 27.24 O ATOM 33 H GLU A 13 19.922 15.544 24.847 1.00 0.00 H ATOM 34 N GLU A 14 18.683 15.934 21.100 1.00 19.93 N ATOM 35 CA GLU A 14 17.335 15.903 20.553 1.00 19.70 C ATOM 36 C GLU A 14 17.270 14.712 19.624 1.00 19.25 C ATOM 37 O GLU A 14 18.050 14.633 18.672 1.00 20.43 O ATOM 38 CB GLU A 14 16.981 17.185 19.814 1.00 24.65 C ATOM 39 CG GLU A 14 15.614 17.144 19.144 1.00 34.87 C ATOM 40 CD GLU A 14 15.358 18.392 18.307 1.00 45.89 C ATOM 41 OE1 GLU A 14 14.976 19.439 18.870 1.00 75.46 O ATOM 42 OE2 GLU A 14 15.586 18.316 17.092 1.00 53.80 O ATOM 43 H GLU A 14 19.457 16.326 20.527 1.00 0.00 H ATOM 44 N ILE A 15 16.359 13.793 19.922 1.00 18.90 N ATOM 45 CA ILE A 15 16.094 12.611 19.109 1.00 18.70 C ATOM 46 C ILE A 15 14.674 12.752 18.552 1.00 22.14 C ATOM 47 O ILE A 15 13.711 12.811 19.317 1.00 19.84 O ATOM 48 CB ILE A 15 16.207 11.326 19.934 1.00 18.36 C ATOM 49 CG1 ILE A 15 17.503 11.276 20.775 1.00 18.40 C ATOM 50 CG2 ILE A 15 15.974 10.084 19.034 1.00 24.60 C ATOM 51 CD1 ILE A 15 18.770 11.321 19.952 1.00 18.70 C ATOM 52 H ILE A 15 15.800 13.924 20.789 1.00 0.00 H ATOM 53 N ARG A 16 14.524 12.765 17.241 1.00 19.41 N ATOM 54 CA ARG A 16 13.207 13.007 16.639 1.00 20.10 C ATOM 55 C ARG A 16 12.740 11.790 15.855 1.00 20.36 C ATOM 56 O ARG A 16 13.459 11.281 14.984 1.00 20.44 O ATOM 57 CB ARG A 16 13.225 14.251 15.740 1.00 23.72 C ATOM 58 CG ARG A 16 13.693 15.497 16.481 1.00 30.39 C ATOM 59 CD ARG A 16 13.096 16.742 15.845 1.00 41.06 C ATOM 60 NE ARG A 16 13.292 16.777 14.401 1.00 24.57 N ATOM 61 CZ ARG A 16 14.315 17.357 13.776 1.00 44.59 C ATOM 62 NH1 ARG A 16 15.262 17.989 14.445 1.00 46.63 N ATOM 63 NH2 ARG A 16 14.379 17.324 12.450 1.00 27.60 N ATOM 64 HE ARG A 16 12.574 16.311 13.810 1.00 0.00 H ATOM 65 HH12 ARG A 16 16.051 18.434 13.934 1.00 0.00 H ATOM 66 HH11 ARG A 16 15.219 18.042 15.483 1.00 0.00 H ATOM 67 HH22 ARG A 16 15.175 17.775 11.956 1.00 0.00 H ATOM 68 HH21 ARG A 16 13.633 16.847 11.905 1.00 0.00 H ATOM 69 H ARG A 16 15.348 12.602 16.627 1.00 0.00 H ATOM 70 N LEU A 17 11.513 11.362 16.138 1.00 22.80 N ATOM 71 CA LEU A 17 10.919 10.189 15.501 1.00 23.11 C ATOM 72 C LEU A 17 9.894 10.654 14.480 1.00 24.02 C ATOM 73 O LEU A 17 8.867 11.229 14.881 1.00 23.32 O ATOM 74 CB LEU A 17 10.227 9.297 16.529 1.00 21.15 C ATOM 75 CG LEU A 17 11.080 8.365 17.382 1.00 24.06 C ATOM 76 CD1 LEU A 17 12.146 9.124 18.126 1.00 19.50 C ATOM 77 CD2 LEU A 17 10.197 7.538 18.358 1.00 27.44 C ATOM 78 H LEU A 17 10.953 11.884 16.842 1.00 0.00 H ATOM 79 N PRO A 18 10.098 10.439 13.193 1.00 23.35 N ATOM 80 CA PRO A 18 9.055 10.800 12.230 1.00 24.98 C ATOM 81 C PRO A 18 7.957 9.771 12.290 1.00 28.08 C ATOM 82 O PRO A 18 8.078 8.672 11.747 1.00 33.48 O ATOM 83 CB PRO A 18 9.785 10.762 10.894 1.00 30.60 C ATOM 84 CG PRO A 18 10.760 9.718 11.070 1.00 24.57 C ATOM 85 CD PRO A 18 11.265 9.872 12.506 1.00 25.43 C ATOM 86 N ARG A 19 6.869 10.125 12.931 1.00 36.96 N ATOM 87 CA ARG A 19 5.845 9.140 13.199 1.00 34.53 C ATOM 88 C ARG A 19 5.049 8.793 11.947 1.00 29.56 C ATOM 89 O ARG A 19 4.546 9.661 11.227 1.00 30.81 O ATOM 90 CB ARG A 19 4.921 9.660 14.289 1.00 29.18 C ATOM 91 CG ARG A 19 5.494 9.465 15.637 1.00 36.09 C ATOM 92 CD ARG A 19 4.559 9.987 16.680 1.00 33.97 C ATOM 93 NE ARG A 19 4.339 11.440 16.617 1.00 33.25 N ATOM 94 CZ ARG A 19 3.556 12.065 17.480 1.00 36.02 C ATOM 95 NH1 ARG A 19 2.945 11.360 18.424 1.00 38.78 N ATOM 96 NH2 ARG A 19 3.395 13.372 17.432 1.00 45.92 N ATOM 97 HE ARG A 19 4.812 11.991 15.873 1.00 0.00 H ATOM 98 HH12 ARG A 19 2.326 11.837 19.110 1.00 0.00 H ATOM 99 HH11 ARG A 19 3.085 10.331 18.477 1.00 0.00 H ATOM 100 HH22 ARG A 19 2.775 13.845 18.120 1.00 0.00 H ATOM 101 HH21 ARG A 19 3.888 13.930 16.706 1.00 0.00 H ATOM 102 H ARG A 19 6.743 11.109 13.245 1.00 0.00 H ATOM 103 N ALA A 20 4.958 7.500 11.673 1.00 38.00 N ATOM 104 CA ALA A 20 3.731 7.043 11.088 1.00 66.09 C ATOM 105 C ALA A 20 2.645 7.207 12.133 1.00 69.02 C ATOM 106 O ALA A 20 1.487 7.433 11.778 1.00 40.74 O ATOM 107 CB ALA A 20 3.850 5.597 10.601 1.00 50.11 C ATOM 108 H ALA A 20 5.741 6.846 11.873 1.00 0.00 H ATOM 109 N GLY A 21 3.070 7.203 13.411 1.00 88.87 N ATOM 110 CA GLY A 21 2.315 7.349 14.645 1.00 97.20 C ATOM 111 C GLY A 21 1.548 6.071 14.845 1.00 96.72 C ATOM 112 O GLY A 21 1.604 5.211 13.963 1.00122.30 O ATOM 113 H GLY A 21 4.095 7.076 13.534 1.00 0.00 H ATOM 114 N GLY A 22 0.865 5.875 15.957 1.00 41.62 N ATOM 115 CA GLY A 22 0.814 4.521 16.436 1.00 64.89 C ATOM 116 C GLY A 22 2.263 4.144 16.753 1.00 36.29 C ATOM 117 O GLY A 22 2.986 4.967 17.282 1.00 28.36 O ATOM 118 H GLY A 22 0.392 6.654 16.457 1.00 0.00 H ATOM 119 N PRO A 23 2.735 2.954 16.364 1.00 29.76 N ATOM 120 CA PRO A 23 3.805 2.282 17.135 1.00 28.13 C ATOM 121 C PRO A 23 5.155 3.001 17.102 1.00 26.31 C ATOM 122 O PRO A 23 5.713 3.252 16.036 1.00 32.97 O ATOM 123 CB PRO A 23 3.898 0.901 16.476 1.00 48.62 C ATOM 124 CG PRO A 23 2.585 0.714 15.801 1.00 54.86 C ATOM 125 CD PRO A 23 2.163 2.058 15.342 1.00 54.41 C ATOM 126 N LEU A 24 5.705 3.256 18.291 1.00 25.03 N ATOM 127 CA LEU A 24 6.993 3.930 18.443 1.00 23.51 C ATOM 128 C LEU A 24 8.162 2.958 18.570 1.00 22.82 C ATOM 129 O LEU A 24 9.302 3.296 18.217 1.00 23.42 O ATOM 130 CB LEU A 24 6.963 4.821 19.681 1.00 24.18 C ATOM 131 CG LEU A 24 5.918 5.919 19.677 1.00 30.21 C ATOM 132 CD1 LEU A 24 6.189 6.771 20.890 1.00 26.96 C ATOM 133 CD2 LEU A 24 5.929 6.784 18.411 1.00 29.26 C ATOM 134 H LEU A 24 5.194 2.962 19.148 1.00 0.00 H ATOM 135 N GLY A 25 7.907 1.766 19.088 1.00 23.32 N ATOM 136 CA GLY A 25 8.944 0.780 19.214 1.00 23.04 C ATOM 137 C GLY A 25 9.883 1.061 20.350 1.00 22.00 C ATOM 138 O GLY A 25 11.084 0.829 20.210 1.00 21.60 O ATOM 139 H GLY A 25 6.943 1.541 19.408 1.00 0.00 H ATOM 140 N LEU A 26 9.377 1.622 21.440 1.00 23.47 N ATOM 141 CA LEU A 26 10.207 1.930 22.591 1.00 21.43 C ATOM 142 C LEU A 26 9.437 1.579 23.851 1.00 31.82 C ATOM 143 O LEU A 26 8.205 1.516 23.843 1.00 22.32 O ATOM 144 CB LEU A 26 10.625 3.406 22.627 1.00 20.27 C ATOM 145 CG LEU A 26 9.456 4.365 22.816 1.00 22.90 C ATOM 146 CD1 LEU A 26 9.071 4.597 24.284 1.00 34.07 C ATOM 147 CD2 LEU A 26 9.799 5.741 22.168 1.00 20.09 C ATOM 148 H LEU A 26 8.362 1.847 21.471 1.00 0.00 H ATOM 149 N SER A 27 10.170 1.351 24.946 1.00 21.40 N ATOM 150 CA SER A 27 9.538 1.189 26.249 1.00 21.97 C ATOM 151 C SER A 27 10.200 2.097 27.267 1.00 21.54 C ATOM 152 O SER A 27 11.383 2.450 27.158 1.00 21.33 O ATOM 153 CB SER A 27 9.605 -0.253 26.757 1.00 30.15 C ATOM 154 OG SER A 27 9.418 -1.212 25.724 1.00 25.27 O ATOM 155 HG SER A 27 10.124 -1.100 25.039 1.00 0.00 H ATOM 156 H SER A 27 11.205 1.288 24.867 1.00 0.00 H ATOM 157 N ILE A 28 9.433 2.441 28.290 1.00 25.31 N ATOM 158 CA ILE A 28 9.899 3.338 29.340 1.00 22.98 C ATOM 159 C ILE A 28 9.714 2.680 30.694 1.00 27.65 C ATOM 160 O ILE A 28 8.778 1.901 30.910 1.00 24.43 O ATOM 161 CB ILE A 28 9.148 4.689 29.297 1.00 24.04 C ATOM 162 CG1 ILE A 28 7.634 4.480 29.364 1.00 28.35 C ATOM 163 CG2 ILE A 28 9.582 5.530 28.057 1.00 33.75 C ATOM 164 CD1 ILE A 28 6.870 5.746 29.833 1.00 41.01 C ATOM 165 H ILE A 28 8.467 2.059 28.346 1.00 0.00 H ATOM 166 N VAL A 29 10.633 2.985 31.604 1.00 23.75 N ATOM 167 CA VAL A 29 10.463 2.673 33.020 1.00 24.53 C ATOM 168 C VAL A 29 10.660 3.961 33.815 1.00 31.31 C ATOM 169 O VAL A 29 11.345 4.883 33.361 1.00 33.90 O ATOM 170 CB VAL A 29 11.442 1.586 33.497 1.00 29.12 C ATOM 171 CG1 VAL A 29 11.292 0.344 32.617 1.00 34.94 C ATOM 172 CG2 VAL A 29 12.882 2.116 33.503 1.00 52.10 C ATOM 173 H VAL A 29 11.504 3.463 31.297 1.00 0.00 H ATOM 174 N GLY A 30 10.009 4.049 34.965 1.00 41.40 N ATOM 175 CA GLY A 30 10.349 5.069 35.935 1.00 32.58 C ATOM 176 C GLY A 30 9.384 6.230 35.968 1.00 31.87 C ATOM 177 O GLY A 30 8.278 6.198 35.425 1.00 35.81 O ATOM 178 H GLY A 30 9.244 3.377 35.174 1.00 0.00 H ATOM 179 N GLY A 31 9.833 7.301 36.627 1.00 32.20 N ATOM 180 CA GLY A 31 8.970 8.437 36.874 1.00 50.45 C ATOM 181 C GLY A 31 8.975 8.901 38.315 1.00 44.97 C ATOM 182 O GLY A 31 9.399 8.172 39.222 1.00 45.30 O ATOM 183 H GLY A 31 10.816 7.319 36.967 1.00 0.00 H ATOM 184 N SER A 32 8.487 10.131 38.509 1.00 37.91 N ATOM 185 CA SER A 32 8.488 10.779 39.822 1.00 32.10 C ATOM 186 C SER A 32 7.739 9.967 40.866 1.00 47.71 C ATOM 187 O SER A 32 8.026 10.075 42.062 1.00 43.15 O ATOM 188 CB SER A 32 7.879 12.184 39.707 1.00 32.80 C ATOM 189 OG SER A 32 6.517 12.130 39.321 1.00 61.16 O ATOM 190 HG SER A 32 6.442 11.683 38.441 1.00 0.00 H ATOM 191 H SER A 32 8.092 10.647 37.697 1.00 0.00 H ATOM 192 N ASP A 33 6.784 9.161 40.444 1.00 44.01 N ATOM 193 CA ASP A 33 6.033 8.337 41.373 1.00 46.02 C ATOM 194 C ASP A 33 6.789 7.074 41.769 1.00 50.85 C ATOM 195 O ASP A 33 6.247 6.254 42.506 1.00 55.68 O ATOM 196 CB ASP A 33 4.654 8.013 40.767 1.00 45.16 C ATOM 197 CG ASP A 33 4.722 7.483 39.342 1.00 51.34 C ATOM 198 OD1 ASP A 33 3.698 6.947 38.882 1.00 62.13 O ATOM 199 OD2 ASP A 33 5.779 7.573 38.675 1.00 42.72 O ATOM 200 H ASP A 33 6.565 9.115 39.428 1.00 0.00 H ATOM 201 N HIS A 34 8.036 6.924 41.331 1.00 41.58 N ATOM 202 CA HIS A 34 8.901 5.808 41.698 1.00 56.64 C ATOM 203 C HIS A 34 10.058 6.334 42.542 1.00 63.87 C ATOM 204 O HIS A 34 10.712 7.313 42.165 1.00 67.53 O ATOM 205 CB HIS A 34 9.440 5.098 40.446 1.00 51.25 C ATOM 206 CG HIS A 34 8.383 4.445 39.600 1.00 57.93 C ATOM 207 ND1 HIS A 34 7.199 5.067 39.263 1.00 72.52 N ATOM 208 CD2 HIS A 34 8.338 3.222 39.019 1.00 56.96 C ATOM 209 CE1 HIS A 34 6.470 4.255 38.519 1.00 67.40 C ATOM 210 NE2 HIS A 34 7.140 3.130 38.353 1.00 72.14 N ATOM 211 H HIS A 34 8.418 7.646 40.688 1.00 0.00 H ATOM 212 N SER A 35 10.314 5.689 43.678 1.00 67.43 N ATOM 213 CA SER A 35 11.410 6.114 44.542 1.00 80.41 C ATOM 214 C SER A 35 12.763 5.566 44.101 1.00 83.58 C ATOM 215 O SER A 35 13.740 5.729 44.841 1.00 96.81 O ATOM 216 CB SER A 35 11.144 5.701 45.991 1.00 84.83 C ATOM 217 OG SER A 35 11.341 4.313 46.178 1.00102.13 O ATOM 218 HG SER A 35 12.276 4.080 45.952 1.00 0.00 H ATOM 219 H SER A 35 9.728 4.875 43.952 1.00 0.00 H ATOM 220 N SER A 36 12.845 4.926 42.932 1.00 71.90 N ATOM 221 CA SER A 36 14.111 4.421 42.414 1.00 77.60 C ATOM 222 C SER A 36 13.950 4.075 40.943 1.00 72.81 C ATOM 223 O SER A 36 12.833 3.928 40.437 1.00 60.67 O ATOM 224 CB SER A 36 14.587 3.184 43.176 1.00 94.40 C ATOM 225 OG SER A 36 13.888 2.034 42.732 1.00121.34 O ATOM 226 HG SER A 36 14.206 1.242 43.233 1.00 0.00 H ATOM 227 H SER A 36 11.979 4.783 42.374 1.00 0.00 H ATOM 228 N HIS A 37 15.092 3.935 40.262 1.00 78.94 N ATOM 229 CA HIS A 37 15.103 3.414 38.902 1.00 88.49 C ATOM 230 C HIS A 37 16.327 2.519 38.708 1.00 76.95 C ATOM 231 O HIS A 37 17.223 2.498 39.567 1.00 81.67 O ATOM 232 CB HIS A 37 15.070 4.560 37.887 1.00 53.62 C ATOM 233 CG HIS A 37 16.207 5.523 38.022 1.00 58.26 C ATOM 234 ND1 HIS A 37 17.482 5.233 37.589 1.00 51.46 N ATOM 235 CD2 HIS A 37 16.260 6.777 38.532 1.00 54.22 C ATOM 236 CE1 HIS A 37 18.275 6.262 37.828 1.00 52.44 C ATOM 237 NE2 HIS A 37 17.558 7.212 38.400 1.00 50.84 N ATOM 238 H HIS A 37 15.990 4.203 40.712 1.00 0.00 H ATOM 239 N PRO A 38 16.385 1.744 37.629 1.00 62.64 N ATOM 240 CA PRO A 38 17.511 0.817 37.418 1.00 69.01 C ATOM 241 C PRO A 38 18.674 1.367 36.602 1.00 60.67 C ATOM 242 O PRO A 38 19.520 0.573 36.183 1.00 69.73 O ATOM 243 CB PRO A 38 16.833 -0.335 36.665 1.00 73.70 C ATOM 244 CG PRO A 38 15.791 0.345 35.832 1.00 72.83 C ATOM 245 CD PRO A 38 15.310 1.527 36.634 1.00 58.00 C ATOM 246 N PHE A 39 18.746 2.679 36.371 1.00 39.50 N ATOM 247 CA PHE A 39 19.802 3.290 35.556 1.00 46.63 C ATOM 248 C PHE A 39 20.579 4.369 36.310 1.00 63.97 C ATOM 249 O PHE A 39 21.088 4.140 37.412 1.00 61.60 O ATOM 250 CB PHE A 39 19.195 3.890 34.284 1.00 62.00 C ATOM 251 CG PHE A 39 18.472 2.885 33.424 1.00 69.12 C ATOM 252 CD1 PHE A 39 19.174 1.887 32.764 1.00 86.69 C ATOM 253 CD2 PHE A 39 17.096 2.934 33.276 1.00 67.87 C ATOM 254 CE1 PHE A 39 18.521 0.959 31.978 1.00104.62 C ATOM 255 CE2 PHE A 39 16.440 2.006 32.482 1.00 75.08 C ATOM 256 CZ PHE A 39 17.155 1.019 31.836 1.00120.34 C ATOM 257 H PHE A 39 18.021 3.297 36.788 1.00 0.00 H TER 258 PHE A 39 ATOM 259 N VAL A 41 23.658 8.222 37.385 1.00 88.78 N ATOM 260 CA VAL A 41 22.216 8.054 37.277 1.00102.83 C ATOM 261 C VAL A 41 21.653 7.536 38.605 1.00 99.37 C ATOM 262 O VAL A 41 21.850 6.370 38.966 1.00104.14 O ATOM 263 CB VAL A 41 21.852 7.111 36.101 1.00 80.09 C ATOM 264 HN3 VAL A 41 24.096 7.307 37.611 1.00 0.00 H ATOM 265 HN2 VAL A 41 23.871 8.906 38.139 1.00 0.00 H ATOM 266 HN1 VAL A 41 24.033 8.573 36.481 1.00 0.00 H ATOM 267 N GLN A 42 20.953 8.420 39.324 1.00 94.87 N ATOM 268 CA GLN A 42 20.357 8.079 40.614 1.00 98.75 C ATOM 269 C GLN A 42 19.162 8.962 40.988 1.00 87.78 C ATOM 270 O GLN A 42 18.458 8.668 41.960 1.00116.75 O ATOM 271 CB GLN A 42 21.416 8.165 41.714 1.00 76.23 C ATOM 272 H GLN A 42 20.828 9.383 38.952 1.00 0.00 H ATOM 273 N GLU A 43 18.932 10.053 40.242 1.00 70.30 N ATOM 274 CA GLU A 43 17.816 10.979 40.425 1.00 52.46 C ATOM 275 C GLU A 43 16.583 10.480 39.671 1.00 31.46 C ATOM 276 O GLU A 43 16.706 10.047 38.526 1.00 29.83 O ATOM 277 CB GLU A 43 18.177 12.371 39.901 1.00 41.56 C ATOM 278 CG GLU A 43 17.093 13.434 40.152 1.00 57.89 C ATOM 279 CD GLU A 43 17.459 14.799 39.578 1.00 87.17 C ATOM 280 OE1 GLU A 43 18.538 14.912 38.953 1.00 91.15 O ATOM 281 OE2 GLU A 43 16.668 15.757 39.747 1.00 94.56 O ATOM 282 H GLU A 43 19.601 10.256 39.472 1.00 0.00 H ATOM 283 N PRO A 44 15.393 10.552 40.280 1.00 66.36 N ATOM 284 CA PRO A 44 14.188 10.018 39.628 1.00 43.69 C ATOM 285 C PRO A 44 13.962 10.578 38.228 1.00 53.12 C ATOM 286 O PRO A 44 14.236 11.747 37.943 1.00 37.92 O ATOM 287 CB PRO A 44 13.058 10.437 40.574 1.00 62.76 C ATOM 288 CG PRO A 44 13.694 10.521 41.900 1.00 50.52 C ATOM 289 CD PRO A 44 15.120 10.980 41.666 1.00 53.82 C ATOM 290 N GLY A 45 13.404 9.742 37.364 1.00 30.67 N ATOM 291 CA GLY A 45 13.083 10.188 36.020 1.00 26.65 C ATOM 292 C GLY A 45 12.534 9.052 35.197 1.00 37.51 C ATOM 293 O GLY A 45 12.440 7.906 35.641 1.00 36.34 O ATOM 294 H GLY A 45 13.196 8.764 37.649 1.00 0.00 H ATOM 295 N VAL A 46 12.177 9.387 33.976 1.00 26.73 N ATOM 296 CA VAL A 46 11.614 8.416 33.052 1.00 22.92 C ATOM 297 C VAL A 46 12.678 8.060 32.032 1.00 36.39 C ATOM 298 O VAL A 46 13.292 8.947 31.431 1.00 26.63 O ATOM 299 CB VAL A 46 10.351 8.963 32.377 1.00 32.29 C ATOM 300 CG1 VAL A 46 9.837 7.961 31.412 1.00 29.41 C ATOM 301 CG2 VAL A 46 9.310 9.272 33.412 1.00 48.73 C ATOM 302 H VAL A 46 12.301 10.371 33.664 1.00 0.00 H ATOM 303 N PHE A 47 12.922 6.770 31.868 1.00 30.37 N ATOM 304 CA PHE A 47 14.001 6.297 31.030 1.00 27.44 C ATOM 305 C PHE A 47 13.503 5.374 29.943 1.00 32.76 C ATOM 306 O PHE A 47 12.585 4.581 30.148 1.00 25.75 O ATOM 307 CB PHE A 47 15.024 5.530 31.853 1.00 29.24 C ATOM 308 CG PHE A 47 15.715 6.367 32.876 1.00 34.44 C ATOM 309 CD1 PHE A 47 15.069 6.728 34.052 1.00 39.98 C ATOM 310 CD2 PHE A 47 17.006 6.797 32.663 1.00 26.97 C ATOM 311 CE1 PHE A 47 15.708 7.484 35.001 1.00 40.99 C ATOM 312 CE2 PHE A 47 17.657 7.544 33.627 1.00 28.81 C ATOM 313 CZ PHE A 47 17.005 7.900 34.779 1.00 35.25 C ATOM 314 H PHE A 47 12.320 6.076 32.356 1.00 0.00 H ATOM 315 N ILE A 48 14.171 5.442 28.800 1.00 22.14 N ATOM 316 CA ILE A 48 14.010 4.416 27.766 1.00 26.84 C ATOM 317 C ILE A 48 14.620 3.111 28.260 1.00 36.67 C ATOM 318 O ILE A 48 15.836 3.009 28.427 1.00 23.74 O ATOM 319 CB ILE A 48 14.691 4.859 26.457 1.00 22.42 C ATOM 320 CG1 ILE A 48 14.137 6.193 25.976 1.00 28.74 C ATOM 321 CG2 ILE A 48 14.589 3.758 25.387 1.00 22.33 C ATOM 322 CD1 ILE A 48 12.649 6.188 25.824 1.00 26.95 C ATOM 323 H ILE A 48 14.821 6.237 28.634 1.00 0.00 H ATOM 324 N SER A 49 13.802 2.071 28.410 1.00 20.82 N ATOM 325 CA SER A 49 14.322 0.785 28.882 1.00 29.02 C ATOM 326 C SER A 49 14.420 -0.263 27.791 1.00 35.03 C ATOM 327 O SER A 49 15.016 -1.320 28.005 1.00 26.09 O ATOM 328 CB SER A 49 13.449 0.244 30.017 1.00 43.91 C ATOM 329 OG SER A 49 12.102 0.163 29.613 1.00 28.66 O ATOM 330 HG SER A 49 12.028 -0.444 28.834 1.00 0.00 H ATOM 331 H SER A 49 12.790 2.172 28.191 1.00 0.00 H ATOM 332 N LYS A 50 13.846 -0.009 26.642 1.00 25.38 N ATOM 333 CA LYS A 50 13.845 -0.964 25.550 1.00 22.98 C ATOM 334 C LYS A 50 13.616 -0.196 24.267 1.00 22.53 C ATOM 335 O LYS A 50 12.878 0.796 24.259 1.00 22.54 O ATOM 336 CB LYS A 50 12.748 -2.020 25.738 1.00 26.36 C ATOM 337 CG LYS A 50 12.898 -3.298 24.867 1.00 36.30 C ATOM 338 CD LYS A 50 11.583 -4.031 24.715 1.00 48.17 C ATOM 339 CE LYS A 50 10.919 -4.365 26.032 1.00 77.96 C ATOM 340 NZ LYS A 50 9.655 -5.122 25.813 1.00 96.78 N ATOM 341 HZ1 LYS A 50 9.001 -4.546 25.245 1.00 0.00 H ATOM 342 HZ2 LYS A 50 9.865 -6.008 25.310 1.00 0.00 H ATOM 343 HZ3 LYS A 50 9.219 -5.339 26.732 1.00 0.00 H ATOM 344 H LYS A 50 13.375 0.908 26.508 1.00 0.00 H ATOM 345 N VAL A 51 14.261 -0.656 23.203 1.00 25.03 N ATOM 346 CA VAL A 51 14.096 -0.150 21.852 1.00 23.89 C ATOM 347 C VAL A 51 13.995 -1.352 20.925 1.00 24.84 C ATOM 348 O VAL A 51 14.944 -2.145 20.851 1.00 27.24 O ATOM 349 CB VAL A 51 15.290 0.748 21.468 1.00 31.54 C ATOM 350 CG1 VAL A 51 15.251 1.093 20.058 1.00 36.45 C ATOM 351 CG2 VAL A 51 15.300 2.044 22.352 1.00 38.11 C ATOM 352 H VAL A 51 14.934 -1.436 23.347 1.00 0.00 H ATOM 353 N LEU A 52 12.848 -1.527 20.239 1.00 22.99 N ATOM 354 CA LEU A 52 12.749 -2.689 19.341 1.00 25.24 C ATOM 355 C LEU A 52 13.742 -2.522 18.182 1.00 25.17 C ATOM 356 O LEU A 52 13.804 -1.445 17.572 1.00 23.40 O ATOM 357 CB LEU A 52 11.328 -2.884 18.799 1.00 25.86 C ATOM 358 CG LEU A 52 10.185 -3.074 19.807 1.00 38.41 C ATOM 359 CD1 LEU A 52 8.868 -3.323 19.069 1.00 66.64 C ATOM 360 CD2 LEU A 52 10.474 -4.189 20.786 1.00 81.03 C ATOM 361 H LEU A 52 12.056 -0.861 20.341 1.00 0.00 H ATOM 362 N PRO A 53 14.535 -3.550 17.857 1.00 31.20 N ATOM 363 CA PRO A 53 15.684 -3.344 16.949 1.00 28.09 C ATOM 364 C PRO A 53 15.320 -2.779 15.575 1.00 29.73 C ATOM 365 O PRO A 53 16.091 -1.986 15.020 1.00 60.37 O ATOM 366 CB PRO A 53 16.293 -4.756 16.848 1.00 36.86 C ATOM 367 CG PRO A 53 15.792 -5.501 18.006 1.00 83.90 C ATOM 368 CD PRO A 53 14.450 -4.944 18.331 1.00 46.13 C ATOM 369 N ARG A 54 14.185 -3.177 15.005 1.00 30.81 N ATOM 370 CA ARG A 54 13.781 -2.716 13.680 1.00 32.67 C ATOM 371 C ARG A 54 12.665 -1.682 13.734 1.00 35.36 C ATOM 372 O ARG A 54 12.069 -1.379 12.704 1.00 50.93 O ATOM 373 CB ARG A 54 13.359 -3.907 12.822 1.00 36.91 C ATOM 374 CG ARG A 54 14.492 -4.876 12.523 1.00 64.27 C ATOM 375 CD ARG A 54 15.640 -4.212 11.723 1.00 75.59 C ATOM 376 NE ARG A 54 16.908 -4.931 11.870 1.00104.66 N ATOM 377 CZ ARG A 54 18.095 -4.471 11.472 1.00118.19 C ATOM 378 NH1 ARG A 54 18.195 -3.279 10.892 1.00122.55 N ATOM 379 NH2 ARG A 54 19.186 -5.209 11.657 1.00121.43 N ATOM 380 HE ARG A 54 16.881 -5.869 12.318 1.00 0.00 H ATOM 381 HH12 ARG A 54 19.124 -2.927 10.584 1.00 0.00 H ATOM 382 HH11 ARG A 54 17.344 -2.699 10.746 1.00 0.00 H ATOM 383 HH22 ARG A 54 20.113 -4.853 11.348 1.00 0.00 H ATOM 384 HH21 ARG A 54 19.112 -6.142 12.111 1.00 0.00 H ATOM 385 H ARG A 54 13.567 -3.837 15.519 1.00 0.00 H ATOM 386 N GLY A 55 12.388 -1.119 14.906 1.00 26.68 N ATOM 387 CA GLY A 55 11.293 -0.190 15.061 1.00 30.51 C ATOM 388 C GLY A 55 11.709 1.256 14.849 1.00 28.49 C ATOM 389 O GLY A 55 12.868 1.576 14.610 1.00 22.63 O ATOM 390 H GLY A 55 12.975 -1.353 15.732 1.00 0.00 H ATOM 391 N LEU A 56 10.727 2.149 14.989 1.00 21.03 N ATOM 392 CA LEU A 56 10.913 3.570 14.660 1.00 24.03 C ATOM 393 C LEU A 56 11.925 4.236 15.580 1.00 22.51 C ATOM 394 O LEU A 56 12.801 5.006 15.145 1.00 22.35 O ATOM 395 CB LEU A 56 9.572 4.277 14.772 1.00 22.12 C ATOM 396 CG LEU A 56 9.595 5.775 14.512 1.00 21.03 C ATOM 397 CD1 LEU A 56 10.139 6.099 13.142 1.00 23.65 C ATOM 398 CD2 LEU A 56 8.215 6.336 14.659 1.00 26.09 C ATOM 399 H LEU A 56 9.802 1.830 15.342 1.00 0.00 H ATOM 400 N ALA A 57 11.791 3.992 16.868 1.00 18.79 N ATOM 401 CA ALA A 57 12.701 4.638 17.821 1.00 22.44 C ATOM 402 C ALA A 57 14.146 4.239 17.552 1.00 21.95 C ATOM 403 O ALA A 57 15.042 5.083 17.574 1.00 19.90 O ATOM 404 CB ALA A 57 12.292 4.279 19.252 1.00 29.26 C ATOM 405 H ALA A 57 11.048 3.348 17.206 1.00 0.00 H ATOM 406 N ALA A 58 14.396 2.947 17.314 1.00 21.12 N ATOM 407 CA ALA A 58 15.752 2.509 17.001 1.00 22.81 C ATOM 408 C ALA A 58 16.279 3.173 15.744 1.00 33.14 C ATOM 409 O ALA A 58 17.433 3.588 15.697 1.00 21.91 O ATOM 410 CB ALA A 58 15.808 0.970 16.832 1.00 28.24 C ATOM 411 H ALA A 58 13.622 2.253 17.352 1.00 0.00 H ATOM 412 N ARG A 59 15.461 3.259 14.700 1.00 18.90 N ATOM 413 CA ARG A 59 15.943 3.796 13.442 1.00 20.76 C ATOM 414 C ARG A 59 16.278 5.272 13.579 1.00 18.35 C ATOM 415 O ARG A 59 17.064 5.797 12.790 1.00 19.22 O ATOM 416 CB ARG A 59 14.893 3.617 12.332 1.00 32.92 C ATOM 417 CG ARG A 59 14.644 2.163 11.951 1.00 34.65 C ATOM 418 CD ARG A 59 13.869 2.045 10.628 1.00 52.50 C ATOM 419 NE ARG A 59 12.625 2.808 10.686 1.00 41.85 N ATOM 420 CZ ARG A 59 11.474 2.325 11.150 1.00 49.26 C ATOM 421 NH1 ARG A 59 11.371 1.066 11.576 1.00 56.35 N ATOM 422 NH2 ARG A 59 10.412 3.103 11.179 1.00 35.62 N ATOM 423 HE ARG A 59 12.639 3.790 10.344 1.00 0.00 H ATOM 424 HH12 ARG A 59 10.461 0.711 11.934 1.00 0.00 H ATOM 425 HH11 ARG A 59 12.200 0.439 11.550 1.00 0.00 H ATOM 426 HH22 ARG A 59 9.508 2.736 11.539 1.00 0.00 H ATOM 427 HH21 ARG A 59 10.477 4.085 10.842 1.00 0.00 H ATOM 428 H ARG A 59 14.475 2.941 14.785 1.00 0.00 H ATOM 429 N SER A 60 15.614 5.944 14.498 1.00 18.11 N ATOM 430 CA SER A 60 15.726 7.388 14.731 1.00 17.51 C ATOM 431 C SER A 60 16.833 7.747 15.724 1.00 18.98 C ATOM 432 O SER A 60 16.989 8.932 16.071 1.00 21.96 O ATOM 433 CB SER A 60 14.398 7.932 15.273 1.00 21.90 C ATOM 434 OG SER A 60 13.283 7.646 14.411 1.00 18.47 O ATOM 435 HG SER A 60 13.439 8.058 13.524 1.00 0.00 H ATOM 436 H SER A 60 14.960 5.409 15.105 1.00 0.00 H ATOM 437 N GLY A 61 17.543 6.751 16.250 1.00 20.09 N ATOM 438 CA GLY A 61 18.665 6.994 17.145 1.00 21.04 C ATOM 439 C GLY A 61 18.365 7.007 18.629 1.00 26.30 C ATOM 440 O GLY A 61 19.246 7.359 19.418 1.00 22.79 O ATOM 441 H GLY A 61 17.288 5.771 16.014 1.00 0.00 H ATOM 442 N LEU A 62 17.178 6.604 19.043 1.00 16.63 N ATOM 443 CA LEU A 62 16.885 6.508 20.467 1.00 19.74 C ATOM 444 C LEU A 62 17.615 5.291 21.039 1.00 18.93 C ATOM 445 O LEU A 62 17.763 4.275 20.372 1.00 20.38 O ATOM 446 CB LEU A 62 15.384 6.405 20.692 1.00 19.47 C ATOM 447 CG LEU A 62 14.845 6.764 22.069 1.00 19.25 C ATOM 448 CD1 LEU A 62 15.060 8.266 22.440 1.00 20.41 C ATOM 449 CD2 LEU A 62 13.393 6.407 22.185 1.00 25.96 C ATOM 450 H LEU A 62 16.447 6.353 18.348 1.00 0.00 H ATOM 451 N ARG A 63 18.051 5.400 22.297 1.00 18.62 N ATOM 452 CA ARG A 63 18.925 4.394 22.899 1.00 20.66 C ATOM 453 C ARG A 63 18.495 4.038 24.316 1.00 25.41 C ATOM 454 O ARG A 63 18.114 4.917 25.085 1.00 22.93 O ATOM 455 CB ARG A 63 20.341 4.906 22.904 1.00 21.64 C ATOM 456 CG ARG A 63 20.955 5.114 21.484 1.00 20.22 C ATOM 457 CD ARG A 63 21.247 3.840 20.709 1.00 21.40 C ATOM 458 NE ARG A 63 21.412 4.115 19.276 1.00 26.01 N ATOM 459 CZ ARG A 63 22.453 4.762 18.740 1.00 26.49 C ATOM 460 NH1 ARG A 63 22.501 4.998 17.431 1.00 22.51 N ATOM 461 NH2 ARG A 63 23.451 5.157 19.509 1.00 24.23 N ATOM 462 HE ARG A 63 20.666 3.783 18.632 1.00 0.00 H ATOM 463 HH12 ARG A 63 23.314 5.502 17.023 1.00 0.00 H ATOM 464 HH11 ARG A 63 21.725 4.679 16.816 1.00 0.00 H ATOM 465 HH22 ARG A 63 24.261 5.660 19.093 1.00 0.00 H ATOM 466 HH21 ARG A 63 23.428 4.965 20.531 1.00 0.00 H ATOM 467 H ARG A 63 17.761 6.223 22.864 1.00 0.00 H ATOM 468 N VAL A 64 18.522 2.732 24.646 1.00 22.65 N ATOM 469 CA VAL A 64 18.305 2.302 26.024 1.00 21.77 C ATOM 470 C VAL A 64 19.211 3.114 26.940 1.00 24.60 C ATOM 471 O VAL A 64 20.391 3.301 26.648 1.00 28.10 O ATOM 472 CB VAL A 64 18.590 0.793 26.189 1.00 23.71 C ATOM 473 CG1 VAL A 64 18.594 0.392 27.642 1.00 36.95 C ATOM 474 CG2 VAL A 64 17.520 -0.047 25.448 1.00 23.53 C ATOM 475 H VAL A 64 18.700 2.020 23.909 1.00 0.00 H ATOM 476 N GLY A 65 18.674 3.538 28.076 1.00 27.36 N ATOM 477 CA GLY A 65 19.411 4.379 28.998 1.00 28.00 C ATOM 478 C GLY A 65 19.196 5.870 28.827 1.00 22.58 C ATOM 479 O GLY A 65 19.650 6.632 29.703 1.00 25.92 O ATOM 480 H GLY A 65 17.700 3.260 28.311 1.00 0.00 H ATOM 481 N ASP A 66 18.516 6.310 27.747 1.00 19.99 N ATOM 482 CA ASP A 66 18.188 7.732 27.574 1.00 19.82 C ATOM 483 C ASP A 66 17.194 8.158 28.658 1.00 25.63 C ATOM 484 O ASP A 66 16.139 7.545 28.823 1.00 24.66 O ATOM 485 CB ASP A 66 17.567 7.968 26.197 1.00 25.24 C ATOM 486 CG ASP A 66 18.604 8.016 25.057 1.00 17.74 C ATOM 487 OD1 ASP A 66 19.825 8.126 25.354 1.00 21.73 O ATOM 488 OD2 ASP A 66 18.160 7.953 23.862 1.00 19.65 O ATOM 489 H ASP A 66 18.218 5.627 27.021 1.00 0.00 H ATOM 490 N ARG A 67 17.502 9.226 29.371 1.00 21.65 N ATOM 491 CA ARG A 67 16.547 9.819 30.294 1.00 19.86 C ATOM 492 C ARG A 67 15.773 10.854 29.488 1.00 22.02 C ATOM 493 O ARG A 67 16.393 11.724 28.864 1.00 26.01 O ATOM 494 CB ARG A 67 17.282 10.488 31.482 1.00 29.53 C ATOM 495 CG ARG A 67 16.381 11.367 32.402 1.00 25.85 C ATOM 496 CD ARG A 67 17.164 12.255 33.362 1.00 32.27 C ATOM 497 NE ARG A 67 18.023 11.534 34.308 1.00 37.66 N ATOM 498 CZ ARG A 67 17.705 11.220 35.570 1.00 41.70 C ATOM 499 NH1 ARG A 67 16.519 11.533 36.081 1.00 39.73 N ATOM 500 NH2 ARG A 67 18.586 10.584 36.344 1.00 37.27 N ATOM 501 HE ARG A 67 18.961 11.241 33.968 1.00 0.00 H ATOM 502 HH12 ARG A 67 16.293 11.279 37.064 1.00 0.00 H ATOM 503 HH11 ARG A 67 15.817 12.032 35.498 1.00 0.00 H ATOM 504 HH22 ARG A 67 18.337 10.341 37.324 1.00 0.00 H ATOM 505 HH21 ARG A 67 19.522 10.331 35.967 1.00 0.00 H ATOM 506 H ARG A 67 18.446 9.651 29.271 1.00 0.00 H ATOM 507 N ILE A 68 14.438 10.751 29.479 1.00 25.58 N ATOM 508 CA ILE A 68 13.612 11.694 28.724 1.00 24.11 C ATOM 509 C ILE A 68 13.479 12.985 29.532 1.00 26.03 C ATOM 510 O ILE A 68 12.960 12.982 30.656 1.00 30.78 O ATOM 511 CB ILE A 68 12.221 11.122 28.411 1.00 21.63 C ATOM 512 CG1 ILE A 68 12.264 9.709 27.829 1.00 21.19 C ATOM 513 CG2 ILE A 68 11.523 12.094 27.416 1.00 24.10 C ATOM 514 CD1 ILE A 68 10.884 9.137 27.460 1.00 25.47 C ATOM 515 H ILE A 68 13.980 9.988 30.018 1.00 0.00 H ATOM 516 N LEU A 69 13.884 14.096 28.936 1.00 21.70 N ATOM 517 CA LEU A 69 13.777 15.419 29.564 1.00 23.58 C ATOM 518 C LEU A 69 12.529 16.175 29.131 1.00 31.04 C ATOM 519 O LEU A 69 11.874 16.817 29.957 1.00 30.89 O ATOM 520 CB LEU A 69 15.001 16.269 29.250 1.00 24.37 C ATOM 521 CG LEU A 69 16.345 15.650 29.652 1.00 21.74 C ATOM 522 CD1 LEU A 69 17.547 16.510 29.331 1.00 27.26 C ATOM 523 CD2 LEU A 69 16.391 15.283 31.125 1.00 25.96 C ATOM 524 H LEU A 69 14.295 14.029 27.983 1.00 0.00 H ATOM 525 N ALA A 70 12.179 16.099 27.858 1.00 32.21 N ATOM 526 CA ALA A 70 11.024 16.801 27.353 1.00 31.88 C ATOM 527 C ALA A 70 10.487 16.060 26.146 1.00 23.77 C ATOM 528 O ALA A 70 11.220 15.360 25.434 1.00 24.37 O ATOM 529 CB ALA A 70 11.360 18.245 26.961 1.00 26.22 C ATOM 530 H ALA A 70 12.748 15.521 27.207 1.00 0.00 H ATOM 531 N VAL A 71 9.201 16.264 25.906 1.00 21.69 N ATOM 532 CA VAL A 71 8.486 15.662 24.795 1.00 22.84 C ATOM 533 C VAL A 71 7.771 16.781 24.057 1.00 32.74 C ATOM 534 O VAL A 71 6.850 17.412 24.599 1.00 33.62 O ATOM 535 CB VAL A 71 7.499 14.595 25.264 1.00 34.17 C ATOM 536 CG1 VAL A 71 6.761 14.037 24.081 1.00 21.89 C ATOM 537 CG2 VAL A 71 8.227 13.511 25.984 1.00 31.34 C ATOM 538 H VAL A 71 8.674 16.890 26.548 1.00 0.00 H ATOM 539 N ASN A 72 8.201 17.043 22.834 1.00 22.80 N ATOM 540 CA ASN A 72 7.630 18.136 22.031 1.00 23.77 C ATOM 541 C ASN A 72 7.509 19.427 22.841 1.00 38.78 C ATOM 542 O ASN A 72 6.505 20.148 22.773 1.00 35.02 O ATOM 543 CB ASN A 72 6.276 17.740 21.440 1.00 35.50 C ATOM 544 CG ASN A 72 6.425 16.806 20.265 1.00 40.70 C ATOM 545 OD1 ASN A 72 7.517 16.630 19.771 1.00 36.54 O ATOM 546 ND2 ASN A 72 5.327 16.261 19.779 1.00 80.54 N ATOM 547 HD22 ASN A 72 4.411 16.441 20.237 1.00 0.00 H ATOM 548 HD21 ASN A 72 5.377 15.652 18.938 1.00 0.00 H ATOM 549 H ASN A 72 8.962 16.461 22.429 1.00 0.00 H ATOM 550 N GLY A 73 8.549 19.728 23.605 1.00 47.70 N ATOM 551 CA GLY A 73 8.591 20.923 24.394 1.00 59.02 C ATOM 552 C GLY A 73 8.051 20.778 25.798 1.00 44.65 C ATOM 553 O GLY A 73 8.323 21.640 26.638 1.00 33.04 O ATOM 554 H GLY A 73 9.359 19.077 23.633 1.00 0.00 H ATOM 555 N GLN A 74 7.287 19.723 26.079 1.00 34.16 N ATOM 556 CA GLN A 74 6.683 19.565 27.400 1.00 39.67 C ATOM 557 C GLN A 74 7.712 18.929 28.332 1.00 39.04 C ATOM 558 O GLN A 74 8.245 17.852 28.033 1.00 31.58 O ATOM 559 CB GLN A 74 5.414 18.716 27.319 1.00 35.71 C ATOM 560 CG GLN A 74 4.815 18.344 28.695 1.00 41.44 C ATOM 561 CD GLN A 74 3.692 17.330 28.580 1.00 57.37 C ATOM 562 OE1 GLN A 74 3.147 17.140 27.501 1.00 52.09 O ATOM 563 NE2 GLN A 74 3.354 16.664 29.689 1.00 53.38 N ATOM 564 HE22 GLN A 74 3.846 16.860 30.584 1.00 0.00 H ATOM 565 HE21 GLN A 74 2.599 15.950 29.657 1.00 0.00 H ATOM 566 H GLN A 74 7.118 19.002 25.348 1.00 0.00 H ATOM 567 N ASP A 75 8.021 19.620 29.423 1.00 33.20 N ATOM 568 CA ASP A 75 8.913 19.098 30.451 1.00 36.26 C ATOM 569 C ASP A 75 8.359 17.811 31.055 1.00 39.47 C ATOM 570 O ASP A 75 7.204 17.757 31.489 1.00 36.96 O ATOM 571 CB ASP A 75 9.092 20.160 31.539 1.00 55.82 C ATOM 572 CG ASP A 75 10.032 19.730 32.650 1.00 66.10 C ATOM 573 OD1 ASP A 75 10.897 18.862 32.432 1.00 40.02 O ATOM 574 OD2 ASP A 75 9.898 20.276 33.761 1.00 57.09 O ATOM 575 H ASP A 75 7.612 20.568 29.549 1.00 0.00 H ATOM 576 N VAL A 76 9.190 16.774 31.100 1.00 29.85 N ATOM 577 CA VAL A 76 8.807 15.538 31.781 1.00 40.64 C ATOM 578 C VAL A 76 9.890 15.078 32.748 1.00 37.36 C ATOM 579 O VAL A 76 9.865 13.928 33.196 1.00 24.59 O ATOM 580 CB VAL A 76 8.482 14.397 30.795 1.00 31.91 C ATOM 581 CG1 VAL A 76 7.193 14.672 30.064 1.00 39.41 C ATOM 582 CG2 VAL A 76 9.630 14.154 29.806 1.00 30.61 C ATOM 583 H VAL A 76 10.123 16.843 30.646 1.00 0.00 H ATOM 584 N ARG A 77 10.834 15.959 33.095 1.00 27.87 N ATOM 585 CA ARG A 77 11.867 15.597 34.064 1.00 34.47 C ATOM 586 C ARG A 77 11.269 15.122 35.388 1.00 29.39 C ATOM 587 O ARG A 77 11.795 14.203 36.026 1.00 37.52 O ATOM 588 CB ARG A 77 12.776 16.786 34.332 1.00 34.79 C ATOM 589 CG ARG A 77 13.611 17.203 33.155 1.00 30.60 C ATOM 590 CD ARG A 77 14.355 18.566 33.430 1.00 35.82 C ATOM 591 NE ARG A 77 15.027 19.050 32.218 1.00 37.15 N ATOM 592 CZ ARG A 77 14.382 19.535 31.153 1.00 46.89 C ATOM 593 NH1 ARG A 77 13.063 19.592 31.128 1.00 44.39 N ATOM 594 NH2 ARG A 77 15.049 19.962 30.101 1.00 38.69 N ATOM 595 HE ARG A 77 16.066 19.013 32.186 1.00 0.00 H ATOM 596 HH12 ARG A 77 12.575 19.972 30.292 1.00 0.00 H ATOM 597 HH11 ARG A 77 12.512 19.257 31.944 1.00 0.00 H ATOM 598 HH22 ARG A 77 14.537 20.338 29.278 1.00 0.00 H ATOM 599 HH21 ARG A 77 16.088 19.924 30.094 1.00 0.00 H ATOM 600 H ARG A 77 10.833 16.909 32.672 1.00 0.00 H ATOM 601 N ASP A 78 10.206 15.759 35.841 1.00 36.76 N ATOM 602 CA ASP A 78 9.587 15.376 37.100 1.00 39.10 C ATOM 603 C ASP A 78 8.289 14.608 36.919 1.00 31.31 C ATOM 604 O ASP A 78 7.516 14.485 37.878 1.00 47.85 O ATOM 605 CB ASP A 78 9.328 16.626 37.939 1.00 60.65 C ATOM 606 CG ASP A 78 10.573 17.138 38.593 1.00 87.18 C ATOM 607 OD1 ASP A 78 11.309 16.314 39.173 1.00 98.25 O ATOM 608 OD2 ASP A 78 10.821 18.358 38.516 1.00109.02 O ATOM 609 H ASP A 78 9.806 16.545 35.291 1.00 0.00 H ATOM 610 N ALA A 79 8.008 14.133 35.709 1.00 46.32 N ATOM 611 CA ALA A 79 6.691 13.608 35.409 1.00 43.22 C ATOM 612 C ALA A 79 6.506 12.265 36.092 1.00 37.00 C ATOM 613 O ALA A 79 7.457 11.496 36.277 1.00 32.50 O ATOM 614 CB ALA A 79 6.512 13.464 33.896 1.00 42.26 C ATOM 615 H ALA A 79 8.741 14.138 34.971 1.00 0.00 H ATOM 616 N THR A 80 5.271 11.981 36.488 1.00 42.80 N ATOM 617 CA THR A 80 4.965 10.605 36.819 1.00 33.33 C ATOM 618 C THR A 80 5.124 9.740 35.567 1.00 36.91 C ATOM 619 O THR A 80 5.254 10.233 34.446 1.00 35.10 O ATOM 620 CB THR A 80 3.541 10.472 37.347 1.00 34.93 C ATOM 621 OG1 THR A 80 2.637 10.822 36.291 1.00 36.60 O ATOM 622 CG2 THR A 80 3.316 11.351 38.571 1.00 39.10 C ATOM 623 HG1 THR A 80 1.705 10.741 36.616 1.00 0.00 H ATOM 624 H THR A 80 4.546 12.723 36.558 1.00 0.00 H ATOM 625 N HIS A 81 5.083 8.423 35.778 1.00 44.06 N ATOM 626 CA HIS A 81 5.114 7.464 34.671 1.00 46.69 C ATOM 627 C HIS A 81 3.949 7.686 33.698 1.00 31.87 C ATOM 628 O HIS A 81 4.151 7.827 32.485 1.00 30.44 O ATOM 629 CB HIS A 81 5.081 6.044 35.251 1.00 40.56 C ATOM 630 CG HIS A 81 5.276 4.970 34.231 1.00 42.51 C ATOM 631 ND1 HIS A 81 6.493 4.362 34.025 1.00 37.24 N ATOM 632 CD2 HIS A 81 4.418 4.412 33.342 1.00 46.18 C ATOM 633 CE1 HIS A 81 6.378 3.468 33.057 1.00 46.63 C ATOM 634 NE2 HIS A 81 5.129 3.480 32.623 1.00 39.23 N ATOM 635 H HIS A 81 5.028 8.068 36.754 1.00 0.00 H ATOM 636 N GLN A 82 2.712 7.714 34.218 1.00 31.54 N ATOM 637 CA GLN A 82 1.546 7.935 33.368 1.00 42.14 C ATOM 638 C GLN A 82 1.569 9.303 32.723 1.00 51.10 C ATOM 639 O GLN A 82 1.074 9.465 31.601 1.00 40.09 O ATOM 640 CB GLN A 82 0.246 7.791 34.163 1.00 48.09 C ATOM 641 CG GLN A 82 -0.253 6.379 34.256 1.00 85.43 C ATOM 642 CD GLN A 82 -0.291 5.707 32.901 1.00 89.36 C ATOM 643 OE1 GLN A 82 -0.875 6.239 31.949 1.00 81.37 O ATOM 644 NE2 GLN A 82 0.384 4.564 32.789 1.00 72.95 N ATOM 645 HE22 GLN A 82 0.859 4.157 33.620 1.00 0.00 H ATOM 646 HE21 GLN A 82 0.436 4.079 31.871 1.00 0.00 H ATOM 647 H GLN A 82 2.582 7.576 35.241 1.00 0.00 H ATOM 648 N GLU A 83 2.094 10.306 33.420 1.00 41.88 N ATOM 649 CA GLU A 83 2.228 11.612 32.794 1.00 36.56 C ATOM 650 C GLU A 83 3.141 11.523 31.577 1.00 35.48 C ATOM 651 O GLU A 83 2.838 12.080 30.517 1.00 30.01 O ATOM 652 CB GLU A 83 2.730 12.629 33.821 1.00 52.75 C ATOM 653 CG GLU A 83 1.631 13.086 34.788 1.00 38.18 C ATOM 654 CD GLU A 83 2.117 14.086 35.811 1.00 53.83 C ATOM 655 OE1 GLU A 83 1.301 14.895 36.290 1.00 70.63 O ATOM 656 OE2 GLU A 83 3.313 14.066 36.127 1.00 40.25 O ATOM 657 H GLU A 83 2.405 10.159 34.401 1.00 0.00 H ATOM 658 N ALA A 84 4.232 10.777 31.690 1.00 32.68 N ATOM 659 CA ALA A 84 5.105 10.612 30.540 1.00 34.21 C ATOM 660 C ALA A 84 4.423 9.798 29.450 1.00 45.57 C ATOM 661 O ALA A 84 4.563 10.110 28.268 1.00 26.18 O ATOM 662 CB ALA A 84 6.410 9.963 30.976 1.00 25.25 C ATOM 663 H ALA A 84 4.460 10.315 32.593 1.00 0.00 H ATOM 664 N VAL A 85 3.693 8.739 29.813 1.00 34.35 N ATOM 665 CA VAL A 85 2.941 7.987 28.799 1.00 28.80 C ATOM 666 C VAL A 85 1.994 8.917 28.046 1.00 39.29 C ATOM 667 O VAL A 85 1.964 8.934 26.810 1.00 37.88 O ATOM 668 CB VAL A 85 2.185 6.810 29.440 1.00 33.32 C ATOM 669 CG1 VAL A 85 1.297 6.102 28.430 1.00 40.24 C ATOM 670 CG2 VAL A 85 3.134 5.813 29.988 1.00 36.17 C ATOM 671 H VAL A 85 3.657 8.448 30.811 1.00 0.00 H ATOM 672 N SER A 86 1.202 9.704 28.777 1.00 31.74 N ATOM 673 CA SER A 86 0.258 10.591 28.115 1.00 39.90 C ATOM 674 C SER A 86 0.975 11.532 27.170 1.00 39.43 C ATOM 675 O SER A 86 0.518 11.766 26.047 1.00 35.27 O ATOM 676 CB SER A 86 -0.532 11.380 29.147 1.00 42.54 C ATOM 677 OG SER A 86 -1.220 10.490 29.995 1.00 48.19 O ATOM 678 HG SER A 86 -0.568 9.904 30.456 1.00 0.00 H ATOM 679 H SER A 86 1.259 9.683 29.815 1.00 0.00 H ATOM 680 N ALA A 87 2.107 12.075 27.600 1.00 32.90 N ATOM 681 CA ALA A 87 2.836 13.012 26.756 1.00 33.31 C ATOM 682 C ALA A 87 3.305 12.333 25.482 1.00 44.47 C ATOM 683 O ALA A 87 3.238 12.919 24.403 1.00 30.05 O ATOM 684 CB ALA A 87 4.027 13.603 27.512 1.00 41.90 C ATOM 685 H ALA A 87 2.474 11.831 28.542 1.00 0.00 H ATOM 686 N LEU A 88 3.735 11.075 25.577 1.00 34.03 N ATOM 687 CA LEU A 88 4.281 10.390 24.411 1.00 36.37 C ATOM 688 C LEU A 88 3.215 9.969 23.418 1.00 33.59 C ATOM 689 O LEU A 88 3.536 9.705 22.259 1.00 29.01 O ATOM 690 CB LEU A 88 5.049 9.152 24.831 1.00 25.85 C ATOM 691 CG LEU A 88 6.404 9.459 25.490 1.00 21.64 C ATOM 692 CD1 LEU A 88 6.897 8.224 26.250 1.00 30.52 C ATOM 693 CD2 LEU A 88 7.439 9.888 24.464 1.00 25.12 C ATOM 694 H LEU A 88 3.681 10.578 26.489 1.00 0.00 H ATOM 695 N LEU A 89 1.978 9.850 23.865 1.00 23.78 N ATOM 696 CA LEU A 89 0.865 9.372 23.061 1.00 38.24 C ATOM 697 C LEU A 89 0.008 10.494 22.467 1.00 35.09 C ATOM 698 O LEU A 89 -1.078 10.220 21.913 1.00 30.76 O ATOM 699 CB LEU A 89 -0.008 8.452 23.916 1.00 26.92 C ATOM 700 CG LEU A 89 0.569 7.073 24.290 1.00 53.66 C ATOM 701 CD1 LEU A 89 -0.461 6.223 25.006 1.00 42.15 C ATOM 702 CD2 LEU A 89 1.060 6.318 23.091 1.00 28.14 C ATOM 703 H LEU A 89 1.788 10.114 24.853 1.00 0.00 H ATOM 704 N ARG A 90 0.464 11.755 22.573 1.00 38.17 N ATOM 705 CA ARG A 90 -0.188 12.923 21.963 1.00 36.01 C ATOM 706 C ARG A 90 -0.482 12.678 20.481 1.00 28.41 C ATOM 707 O ARG A 90 0.278 11.957 19.834 1.00 34.01 O ATOM 708 CB ARG A 90 0.725 14.138 22.087 1.00 37.69 C ATOM 709 CG ARG A 90 2.050 13.941 21.306 1.00 66.84 C ATOM 710 CD ARG A 90 3.045 15.056 21.512 1.00123.50 C ATOM 711 NE ARG A 90 3.375 15.243 22.920 1.00100.98 N ATOM 712 CZ ARG A 90 3.207 16.365 23.614 1.00 91.97 C ATOM 713 NH1 ARG A 90 2.715 17.466 23.056 1.00 97.17 N ATOM 714 NH2 ARG A 90 3.549 16.384 24.889 1.00 72.34 N ATOM 715 HE ARG A 90 3.777 14.428 23.426 1.00 0.00 H ATOM 716 HH12 ARG A 90 2.595 18.328 23.625 1.00 0.00 H ATOM 717 HH11 ARG A 90 2.450 17.465 22.050 1.00 0.00 H ATOM 718 HH22 ARG A 90 3.425 17.252 25.448 1.00 0.00 H ATOM 719 HH21 ARG A 90 3.943 15.531 25.335 1.00 0.00 H ATOM 720 H ARG A 90 1.333 11.914 23.121 1.00 0.00 H ATOM 721 N PRO A 91 -1.523 13.269 19.900 1.00 30.80 N ATOM 722 CA PRO A 91 -1.823 13.012 18.473 1.00 36.13 C ATOM 723 C PRO A 91 -0.655 13.258 17.515 1.00 37.58 C ATOM 724 O PRO A 91 0.186 14.126 17.740 1.00 67.19 O ATOM 725 CB PRO A 91 -2.993 13.959 18.192 1.00 38.37 C ATOM 726 CG PRO A 91 -3.743 14.034 19.519 1.00 37.05 C ATOM 727 CD PRO A 91 -2.639 13.977 20.581 1.00 33.46 C ATOM 728 N CYS A 92 -0.683 12.523 16.393 1.00 39.52 N ATOM 729 CA CYS A 92 0.470 12.282 15.508 1.00 64.67 C ATOM 730 C CYS A 92 1.107 13.568 14.942 1.00 79.05 C ATOM 731 O CYS A 92 0.419 14.429 14.406 1.00 42.54 O ATOM 732 CB CYS A 92 0.021 11.296 14.382 1.00 38.38 C ATOM 733 SG CYS A 92 -0.199 11.708 12.579 1.00 37.94 S ATOM 734 H CYS A 92 -1.590 12.089 16.127 1.00 0.00 H ATOM 735 N LEU A 93 2.446 13.663 15.047 1.00 99.10 N ATOM 736 CA LEU A 93 3.330 14.765 14.592 1.00 88.36 C ATOM 737 C LEU A 93 4.760 14.190 14.506 1.00 23.85 C ATOM 738 O LEU A 93 4.946 12.981 14.678 1.00113.79 O ATOM 739 CB LEU A 93 3.225 16.004 15.490 1.00100.50 C ATOM 740 CG LEU A 93 2.461 17.135 14.771 1.00 91.12 C ATOM 741 CD1 LEU A 93 1.809 18.120 15.732 1.00 42.56 C ATOM 742 CD2 LEU A 93 3.364 17.877 13.804 1.00 72.41 C ATOM 743 H LEU A 93 2.922 12.861 15.506 1.00 0.00 H ATOM 744 N GLU A 94 5.797 15.025 14.270 1.00 37.54 N ATOM 745 CA GLU A 94 7.139 14.510 14.612 1.00 65.37 C ATOM 746 C GLU A 94 7.287 14.493 16.127 1.00 21.33 C ATOM 747 O GLU A 94 6.881 15.431 16.819 1.00 25.11 O ATOM 748 CB GLU A 94 8.308 15.297 13.992 1.00 51.87 C ATOM 749 CG GLU A 94 8.711 14.767 12.617 1.00 42.06 C ATOM 750 CD GLU A 94 10.144 15.026 12.153 1.00 27.63 C ATOM 751 OE1 GLU A 94 11.026 15.349 12.956 1.00 32.33 O ATOM 752 OE2 GLU A 94 10.395 14.872 10.942 1.00 24.59 O ATOM 753 H GLU A 94 5.658 15.975 13.871 1.00 0.00 H ATOM 754 N LEU A 95 7.804 13.387 16.666 1.00 23.14 N ATOM 755 CA LEU A 95 7.900 13.205 18.101 1.00 23.40 C ATOM 756 C LEU A 95 9.326 13.514 18.495 1.00 17.34 C ATOM 757 O LEU A 95 10.247 12.747 18.186 1.00 22.23 O ATOM 758 CB LEU A 95 7.496 11.804 18.527 1.00 32.54 C ATOM 759 CG LEU A 95 7.427 11.653 20.049 1.00 27.49 C ATOM 760 CD1 LEU A 95 6.271 12.449 20.611 1.00 39.00 C ATOM 761 CD2 LEU A 95 7.289 10.184 20.413 1.00 30.03 C ATOM 762 H LEU A 95 8.148 12.633 16.038 1.00 0.00 H ATOM 763 N SER A 96 9.488 14.652 19.164 1.00 17.69 N ATOM 764 CA SER A 96 10.803 15.220 19.465 1.00 20.55 C ATOM 765 C SER A 96 11.095 15.009 20.938 1.00 20.85 C ATOM 766 O SER A 96 10.395 15.547 21.805 1.00 25.64 O ATOM 767 CB SER A 96 10.828 16.707 19.108 1.00 45.52 C ATOM 768 OG SER A 96 12.105 17.247 19.294 1.00 55.97 O ATOM 769 HG SER A 96 12.093 18.208 19.056 1.00 0.00 H ATOM 770 H SER A 96 8.641 15.162 19.488 1.00 0.00 H ATOM 771 N LEU A 97 12.113 14.208 21.217 1.00 21.36 N ATOM 772 CA LEU A 97 12.486 13.842 22.566 1.00 25.81 C ATOM 773 C LEU A 97 13.789 14.530 22.905 1.00 32.24 C ATOM 774 O LEU A 97 14.796 14.325 22.219 1.00 27.79 O ATOM 775 CB LEU A 97 12.655 12.326 22.661 1.00 19.50 C ATOM 776 CG LEU A 97 11.406 11.545 22.222 1.00 26.69 C ATOM 777 CD1 LEU A 97 11.596 10.082 22.500 1.00 36.55 C ATOM 778 CD2 LEU A 97 10.163 12.051 22.899 1.00 25.31 C ATOM 779 H LEU A 97 12.671 13.824 20.428 1.00 0.00 H ATOM 780 N LEU A 98 13.784 15.309 23.973 1.00 20.30 N ATOM 781 CA LEU A 98 15.032 15.843 24.508 1.00 22.73 C ATOM 782 C LEU A 98 15.477 14.868 25.580 1.00 20.82 C ATOM 783 O LEU A 98 14.706 14.594 26.511 1.00 20.93 O ATOM 784 CB LEU A 98 14.865 17.230 25.112 1.00 38.54 C ATOM 785 CG LEU A 98 16.220 17.870 25.413 1.00 29.11 C ATOM 786 CD1 LEU A 98 16.856 18.315 24.077 1.00 39.88 C ATOM 787 CD2 LEU A 98 16.055 19.048 26.395 1.00 28.38 C ATOM 788 H LEU A 98 12.883 15.543 24.436 1.00 0.00 H ATOM 789 N VAL A 99 16.704 14.335 25.452 1.00 23.04 N ATOM 790 CA VAL A 99 17.184 13.297 26.354 1.00 24.74 C ATOM 791 C VAL A 99 18.573 13.665 26.868 1.00 22.85 C ATOM 792 O VAL A 99 19.250 14.547 26.330 1.00 22.86 O ATOM 793 CB VAL A 99 17.213 11.881 25.686 1.00 19.96 C ATOM 794 CG1 VAL A 99 15.910 11.536 25.037 1.00 19.25 C ATOM 795 CG2 VAL A 99 18.306 11.757 24.626 1.00 21.81 C ATOM 796 H VAL A 99 17.326 14.672 24.690 1.00 0.00 H ATOM 797 N ARG A 100 18.979 12.986 27.939 1.00 23.62 N ATOM 798 CA ARG A 100 20.358 13.009 28.435 1.00 24.63 C ATOM 799 C ARG A 100 20.780 11.589 28.764 1.00 61.25 C ATOM 800 O ARG A 100 19.975 10.812 29.269 1.00 25.90 O ATOM 801 CB ARG A 100 20.535 13.857 29.707 1.00 23.36 C ATOM 802 CG ARG A 100 22.004 13.873 30.243 1.00 28.40 C ATOM 803 CD ARG A 100 22.135 14.694 31.488 1.00 49.90 C ATOM 804 NE ARG A 100 21.706 16.095 31.337 1.00 34.85 N ATOM 805 CZ ARG A 100 20.577 16.595 31.848 1.00 29.98 C ATOM 806 NH1 ARG A 100 19.758 15.814 32.552 1.00 32.66 N ATOM 807 NH2 ARG A 100 20.277 17.891 31.689 1.00 30.74 N ATOM 808 HE ARG A 100 22.322 16.737 30.798 1.00 0.00 H ATOM 809 HH12 ARG A 100 18.880 16.205 32.949 1.00 0.00 H ATOM 810 HH11 ARG A 100 19.997 14.813 32.705 1.00 0.00 H ATOM 811 HH22 ARG A 100 19.397 18.274 32.089 1.00 0.00 H ATOM 812 HH21 ARG A 100 20.924 18.514 31.165 1.00 0.00 H ATOM 813 H ARG A 100 18.281 12.409 28.450 1.00 0.00 H ATOM 814 N ARG A 101 22.038 11.263 28.494 1.00 37.47 N ATOM 815 CA ARG A 101 22.675 10.062 29.030 1.00 38.71 C ATOM 816 C ARG A 101 23.553 10.463 30.213 1.00 38.64 C ATOM 817 O ARG A 101 24.463 11.285 30.060 1.00 41.31 O ATOM 818 CB ARG A 101 23.503 9.373 27.954 1.00 53.71 C ATOM 819 CG ARG A 101 22.667 8.993 26.790 1.00 32.12 C ATOM 820 CD ARG A 101 23.369 8.067 25.854 1.00 31.65 C ATOM 821 NE ARG A 101 23.679 6.763 26.432 1.00 41.98 N ATOM 822 CZ ARG A 101 22.799 5.786 26.637 1.00 54.37 C ATOM 823 NH1 ARG A 101 21.528 5.964 26.357 1.00 21.95 N ATOM 824 NH2 ARG A 101 23.185 4.628 27.158 1.00 44.94 N ATOM 825 HE ARG A 101 24.666 6.583 26.705 1.00 0.00 H ATOM 826 HH12 ARG A 101 20.847 5.195 26.520 1.00 0.00 H ATOM 827 HH11 ARG A 101 21.203 6.874 25.972 1.00 0.00 H ATOM 828 HH22 ARG A 101 22.490 3.871 27.314 1.00 0.00 H ATOM 829 HH21 ARG A 101 24.183 4.478 27.410 1.00 0.00 H ATOM 830 H ARG A 101 22.593 11.888 27.875 1.00 0.00 H ATOM 831 N ASP A 102 23.248 9.923 31.389 1.00 47.15 N ATOM 832 CA ASP A 102 24.014 10.232 32.589 1.00 47.58 C ATOM 833 C ASP A 102 25.405 9.648 32.437 1.00 58.21 C ATOM 834 O ASP A 102 25.680 8.879 31.503 1.00 79.48 O ATOM 835 CB ASP A 102 23.330 9.668 33.831 1.00 38.24 C ATOM 836 OXT ASP A 102 26.278 9.940 33.253 1.00 73.08 O ATOM 837 H ASP A 102 22.445 9.265 31.454 1.00 0.00 H TER 838 ASP A 102 ATOM 839 N LEU B 9 5.701 18.916 5.227 1.00115.67 N ATOM 840 CA LEU B 9 6.424 20.157 4.968 1.00104.55 C ATOM 841 C LEU B 9 7.929 19.913 4.960 1.00 72.05 C ATOM 842 O LEU B 9 8.494 19.451 5.954 1.00 58.40 O ATOM 843 CB LEU B 9 6.072 21.215 6.018 1.00 72.70 C ATOM 844 HN3 LEU B 9 5.985 18.537 6.153 1.00 0.00 H ATOM 845 HN2 LEU B 9 5.926 18.224 4.484 1.00 0.00 H ATOM 846 HN1 LEU B 9 4.678 19.106 5.228 1.00 0.00 H ATOM 847 N GLY B 10 8.573 20.240 3.840 1.00 78.41 N ATOM 848 CA GLY B 10 9.999 20.036 3.722 1.00 39.31 C ATOM 849 C GLY B 10 10.800 20.894 4.687 1.00 27.47 C ATOM 850 O GLY B 10 10.305 21.867 5.258 1.00 29.76 O ATOM 851 H GLY B 10 8.044 20.646 3.042 1.00 0.00 H ATOM 852 N SER B 11 12.079 20.526 4.862 1.00 25.35 N ATOM 853 CA SER B 11 12.960 21.301 5.719 1.00 36.28 C ATOM 854 C SER B 11 14.398 21.195 5.249 1.00 29.32 C ATOM 855 O SER B 11 14.775 20.306 4.488 1.00 25.49 O ATOM 856 CB SER B 11 12.865 20.833 7.158 1.00 31.29 C ATOM 857 OG SER B 11 13.424 19.535 7.213 1.00 26.71 O ATOM 858 HG SER B 11 13.379 19.197 8.142 1.00 0.00 H ATOM 859 H SER B 11 12.442 19.679 4.380 1.00 0.00 H ATOM 860 N VAL B 12 15.202 22.147 5.693 1.00 27.47 N ATOM 861 CA VAL B 12 16.645 22.047 5.597 1.00 34.88 C ATOM 862 C VAL B 12 17.148 22.060 7.026 1.00 32.09 C ATOM 863 O VAL B 12 16.578 22.750 7.874 1.00 30.21 O ATOM 864 CB VAL B 12 17.244 23.184 4.757 1.00 36.74 C ATOM 865 CG1 VAL B 12 18.737 23.188 4.852 1.00 34.82 C ATOM 866 CG2 VAL B 12 16.817 23.005 3.299 1.00 23.38 C ATOM 867 H VAL B 12 14.785 22.996 6.126 1.00 0.00 H ATOM 868 N GLU B 13 18.167 21.246 7.313 1.00 27.86 N ATOM 869 CA GLU B 13 18.585 21.080 8.691 1.00 23.38 C ATOM 870 C GLU B 13 20.089 20.967 8.757 1.00 32.25 C ATOM 871 O GLU B 13 20.692 20.370 7.868 1.00 21.07 O ATOM 872 CB GLU B 13 17.963 19.833 9.304 1.00 41.29 C ATOM 873 CG GLU B 13 18.304 19.696 10.753 1.00 51.68 C ATOM 874 CD GLU B 13 17.358 18.798 11.474 1.00 53.55 C ATOM 875 OE1 GLU B 13 16.303 18.484 10.890 1.00 48.42 O ATOM 876 OE2 GLU B 13 17.672 18.423 12.628 1.00 54.92 O ATOM 877 H GLU B 13 18.658 20.734 6.552 1.00 0.00 H ATOM 878 N GLU B 14 20.684 21.559 9.788 1.00 45.22 N ATOM 879 CA GLU B 14 22.115 21.421 10.049 1.00 41.12 C ATOM 880 C GLU B 14 22.276 20.290 11.049 1.00 39.98 C ATOM 881 O GLU B 14 21.697 20.337 12.133 1.00 29.43 O ATOM 882 CB GLU B 14 22.716 22.723 10.589 1.00 37.00 C ATOM 883 CG GLU B 14 24.210 22.681 10.894 1.00 61.33 C ATOM 884 CD GLU B 14 24.668 23.872 11.754 1.00 74.60 C ATOM 885 OE1 GLU B 14 25.729 23.773 12.402 1.00 75.42 O ATOM 886 OE2 GLU B 14 23.966 24.903 11.785 1.00 78.29 O ATOM 887 H GLU B 14 20.111 22.141 10.432 1.00 0.00 H ATOM 888 N ILE B 15 23.008 19.256 10.670 1.00 25.95 N ATOM 889 CA ILE B 15 23.197 18.078 11.510 1.00 35.93 C ATOM 890 C ILE B 15 24.684 17.916 11.794 1.00 21.35 C ATOM 891 O ILE B 15 25.499 17.841 10.865 1.00 40.47 O ATOM 892 CB ILE B 15 22.604 16.827 10.841 1.00 33.72 C ATOM 893 CG1 ILE B 15 21.077 16.967 10.813 1.00 62.53 C ATOM 894 CG2 ILE B 15 22.993 15.554 11.562 1.00 27.10 C ATOM 895 CD1 ILE B 15 20.359 15.921 10.037 1.00 53.98 C ATOM 896 H ILE B 15 23.467 19.283 9.737 1.00 0.00 H ATOM 897 N ARG B 16 25.025 17.863 13.077 1.00 24.34 N ATOM 898 CA ARG B 16 26.386 17.607 13.536 1.00 28.73 C ATOM 899 C ARG B 16 26.548 16.134 13.894 1.00 35.34 C ATOM 900 O ARG B 16 25.798 15.612 14.726 1.00 23.22 O ATOM 901 CB ARG B 16 26.703 18.492 14.745 1.00 51.68 C ATOM 902 CG ARG B 16 28.118 18.329 15.271 1.00 69.89 C ATOM 903 CD ARG B 16 28.455 19.369 16.327 1.00 77.95 C ATOM 904 NE ARG B 16 27.792 19.124 17.607 1.00 89.15 N ATOM 905 CZ ARG B 16 28.154 18.183 18.477 1.00106.50 C ATOM 906 NH1 ARG B 16 29.164 17.372 18.201 1.00113.59 N ATOM 907 NH2 ARG B 16 27.501 18.044 19.623 1.00114.40 N ATOM 908 HE ARG B 16 26.981 19.726 17.855 1.00 0.00 H ATOM 909 HH12 ARG B 16 29.443 16.639 18.883 1.00 0.00 H ATOM 910 HH11 ARG B 16 29.678 17.469 17.302 1.00 0.00 H ATOM 911 HH22 ARG B 16 27.788 17.307 20.299 1.00 0.00 H ATOM 912 HH21 ARG B 16 26.702 18.672 19.846 1.00 0.00 H ATOM 913 H ARG B 16 24.284 18.012 13.791 1.00 0.00 H ATOM 914 N LEU B 17 27.530 15.483 13.272 1.00 26.96 N ATOM 915 CA LEU B 17 27.929 14.103 13.557 1.00 29.16 C ATOM 916 C LEU B 17 29.282 14.071 14.233 1.00 29.95 C ATOM 917 O LEU B 17 30.280 14.400 13.581 1.00 32.51 O ATOM 918 CB LEU B 17 28.016 13.285 12.270 1.00 51.39 C ATOM 919 CG LEU B 17 26.735 12.679 11.777 1.00 52.04 C ATOM 920 CD1 LEU B 17 26.011 13.773 11.009 1.00 74.13 C ATOM 921 CD2 LEU B 17 27.038 11.439 10.956 1.00 55.56 C ATOM 922 H LEU B 17 28.051 15.992 12.530 1.00 0.00 H ATOM 923 N PRO B 18 29.402 13.644 15.512 1.00 26.40 N ATOM 924 CA PRO B 18 30.724 13.607 16.151 1.00 35.04 C ATOM 925 C PRO B 18 31.423 12.291 15.870 1.00 33.19 C ATOM 926 O PRO B 18 31.214 11.309 16.589 1.00 31.52 O ATOM 927 CB PRO B 18 30.390 13.778 17.643 1.00 34.88 C ATOM 928 CG PRO B 18 29.076 13.101 17.772 1.00 38.29 C ATOM 929 CD PRO B 18 28.330 13.399 16.494 1.00 38.07 C ATOM 930 N ARG B 19 32.258 12.266 14.833 1.00 36.55 N ATOM 931 CA ARG B 19 32.906 11.037 14.406 1.00 34.16 C ATOM 932 C ARG B 19 33.972 10.608 15.414 1.00 30.12 C ATOM 933 O ARG B 19 34.718 11.435 15.971 1.00 31.87 O ATOM 934 CB ARG B 19 33.510 11.242 13.009 1.00 28.31 C ATOM 935 CG ARG B 19 33.766 9.978 12.228 1.00 30.78 C ATOM 936 CD ARG B 19 34.568 10.193 10.926 1.00 29.89 C ATOM 937 NE ARG B 19 34.991 8.922 10.346 1.00 38.09 N ATOM 938 CZ ARG B 19 35.955 8.809 9.438 1.00 34.22 C ATOM 939 NH1 ARG B 19 36.575 9.900 8.978 1.00 45.48 N ATOM 940 NH2 ARG B 19 36.300 7.613 8.981 1.00 57.30 N ATOM 941 HE ARG B 19 34.511 8.055 10.661 1.00 0.00 H ATOM 942 HH12 ARG B 19 37.329 9.809 8.268 1.00 0.00 H ATOM 943 HH11 ARG B 19 36.303 10.840 9.331 1.00 0.00 H ATOM 944 HH22 ARG B 19 37.054 7.526 8.271 1.00 0.00 H ATOM 945 HH21 ARG B 19 35.816 6.762 9.333 1.00 0.00 H ATOM 946 H ARG B 19 32.451 13.147 14.316 1.00 0.00 H ATOM 947 N ALA B 20 34.034 9.304 15.664 1.00 30.55 N ATOM 948 CA ALA B 20 35.090 8.748 16.517 1.00 33.30 C ATOM 949 C ALA B 20 36.371 8.437 15.742 1.00 35.68 C ATOM 950 O ALA B 20 37.435 8.281 16.368 1.00 72.90 O ATOM 951 CB ALA B 20 34.577 7.487 17.212 1.00 42.65 C ATOM 952 H ALA B 20 33.323 8.668 15.249 1.00 0.00 H ATOM 953 N GLY B 21 36.284 8.471 14.410 1.00 42.80 N ATOM 954 CA GLY B 21 37.240 8.004 13.415 1.00 81.16 C ATOM 955 C GLY B 21 36.873 6.673 12.790 1.00 56.04 C ATOM 956 O GLY B 21 37.523 6.209 11.825 1.00 41.82 O ATOM 957 H GLY B 21 35.411 8.890 14.030 1.00 0.00 H ATOM 958 N GLY B 22 35.864 6.047 13.321 1.00 44.01 N ATOM 959 CA GLY B 22 35.391 4.835 12.763 1.00 42.47 C ATOM 960 C GLY B 22 34.236 5.222 11.887 1.00 43.67 C ATOM 961 O GLY B 22 34.186 6.311 11.303 1.00 30.40 O ATOM 962 H GLY B 22 35.400 6.441 14.164 1.00 0.00 H ATOM 963 N PRO B 23 33.270 4.345 11.807 1.00 30.50 N ATOM 964 CA PRO B 23 32.214 4.520 10.806 1.00 28.17 C ATOM 965 C PRO B 23 31.275 5.657 11.146 1.00 25.84 C ATOM 966 O PRO B 23 31.047 5.987 12.309 1.00 25.76 O ATOM 967 CB PRO B 23 31.483 3.180 10.835 1.00 31.05 C ATOM 968 CG PRO B 23 31.703 2.670 12.265 1.00 32.45 C ATOM 969 CD PRO B 23 32.986 3.252 12.757 1.00 54.83 C ATOM 970 N LEU B 24 30.681 6.232 10.091 1.00 25.35 N ATOM 971 CA LEU B 24 29.600 7.191 10.276 1.00 24.31 C ATOM 972 C LEU B 24 28.279 6.495 10.495 1.00 26.56 C ATOM 973 O LEU B 24 27.388 7.054 11.133 1.00 24.94 O ATOM 974 CB LEU B 24 29.463 8.116 9.065 1.00 23.65 C ATOM 975 CG LEU B 24 30.703 8.864 8.610 1.00 49.14 C ATOM 976 CD1 LEU B 24 30.323 9.854 7.552 1.00 49.12 C ATOM 977 CD2 LEU B 24 31.338 9.560 9.756 1.00 66.67 C ATOM 978 H LEU B 24 30.995 5.991 9.129 1.00 0.00 H ATOM 979 N GLY B 25 28.121 5.289 9.963 1.00 22.42 N ATOM 980 CA GLY B 25 26.849 4.627 10.064 1.00 22.28 C ATOM 981 C GLY B 25 25.827 5.072 9.043 1.00 22.48 C ATOM 982 O GLY B 25 24.647 5.065 9.337 1.00 21.50 O ATOM 983 H GLY B 25 28.914 4.825 9.475 1.00 0.00 H ATOM 984 N LEU B 26 26.252 5.421 7.837 1.00 23.78 N ATOM 985 CA LEU B 26 25.311 5.754 6.781 1.00 22.71 C ATOM 986 C LEU B 26 25.911 5.379 5.440 1.00 23.11 C ATOM 987 O LEU B 26 27.126 5.261 5.294 1.00 26.64 O ATOM 988 CB LEU B 26 24.965 7.243 6.805 1.00 19.53 C ATOM 989 CG LEU B 26 26.149 8.186 6.524 1.00 23.07 C ATOM 990 CD1 LEU B 26 26.518 8.392 5.044 1.00 29.92 C ATOM 991 CD2 LEU B 26 25.848 9.569 7.135 1.00 36.90 C ATOM 992 H LEU B 26 27.273 5.457 7.644 1.00 0.00 H ATOM 993 N SER B 27 25.036 5.220 4.451 1.00 22.03 N ATOM 994 CA SER B 27 25.453 5.009 3.077 1.00 24.52 C ATOM 995 C SER B 27 24.883 6.107 2.188 1.00 22.57 C ATOM 996 O SER B 27 23.839 6.685 2.480 1.00 20.46 O ATOM 997 CB SER B 27 24.988 3.648 2.569 1.00 34.58 C ATOM 998 OG SER B 27 25.273 2.658 3.526 1.00 24.34 O ATOM 999 HG SER B 27 24.801 2.871 4.370 1.00 0.00 H ATOM 1000 H SER B 27 24.020 5.248 4.669 1.00 0.00 H ATOM 1001 N ILE B 28 25.559 6.342 1.080 1.00 21.83 N ATOM 1002 CA ILE B 28 25.120 7.314 0.082 1.00 25.79 C ATOM 1003 C ILE B 28 25.063 6.656 -1.289 1.00 28.27 C ATOM 1004 O ILE B 28 25.798 5.700 -1.572 1.00 27.04 O ATOM 1005 CB ILE B 28 26.038 8.545 0.049 1.00 22.81 C ATOM 1006 CG1 ILE B 28 27.496 8.197 -0.365 1.00 34.68 C ATOM 1007 CG2 ILE B 28 25.950 9.223 1.399 1.00 21.92 C ATOM 1008 CD1 ILE B 28 28.329 9.485 -0.749 1.00 25.99 C ATOM 1009 H ILE B 28 26.439 5.815 0.910 1.00 0.00 H ATOM 1010 N VAL B 29 24.154 7.172 -2.138 1.00 26.10 N ATOM 1011 CA VAL B 29 24.029 6.750 -3.533 1.00 39.07 C ATOM 1012 C VAL B 29 23.936 7.971 -4.427 1.00 33.96 C ATOM 1013 O VAL B 29 23.425 9.019 -4.030 1.00 33.55 O ATOM 1014 CB VAL B 29 22.793 5.867 -3.765 1.00 75.58 C ATOM 1015 CG1 VAL B 29 22.975 4.535 -3.113 1.00 63.62 C ATOM 1016 CG2 VAL B 29 21.564 6.575 -3.237 1.00 53.24 C ATOM 1017 H VAL B 29 23.509 7.907 -1.784 1.00 0.00 H ATOM 1018 N GLY B 30 24.443 7.843 -5.640 1.00 46.49 N ATOM 1019 CA GLY B 30 24.210 8.873 -6.624 1.00 50.76 C ATOM 1020 C GLY B 30 25.285 9.932 -6.613 1.00 53.73 C ATOM 1021 O GLY B 30 26.382 9.726 -6.117 1.00 35.60 O ATOM 1022 H GLY B 30 25.007 7.004 -5.885 1.00 0.00 H ATOM 1023 N GLY B 31 24.939 11.102 -7.141 1.00 45.45 N ATOM 1024 CA GLY B 31 25.891 12.158 -7.406 1.00 51.85 C ATOM 1025 C GLY B 31 25.790 12.643 -8.840 1.00 59.64 C ATOM 1026 O GLY B 31 25.148 12.036 -9.692 1.00 52.92 O ATOM 1027 H GLY B 31 23.939 11.265 -7.374 1.00 0.00 H ATOM 1028 N SER B 32 26.469 13.769 -9.088 1.00 47.60 N ATOM 1029 CA SER B 32 26.369 14.462 -10.364 1.00 54.10 C ATOM 1030 C SER B 32 26.819 13.613 -11.542 1.00 45.34 C ATOM 1031 O SER B 32 26.554 13.992 -12.690 1.00 48.62 O ATOM 1032 CB SER B 32 27.194 15.746 -10.318 1.00 56.59 C ATOM 1033 OG SER B 32 28.520 15.474 -9.915 1.00 56.98 O ATOM 1034 HG SER B 32 28.512 15.066 -9.013 1.00 0.00 H ATOM 1035 H SER B 32 27.086 14.160 -8.348 1.00 0.00 H ATOM 1036 N ASP B 33 27.504 12.500 -11.299 1.00 42.68 N ATOM 1037 CA ASP B 33 27.914 11.589 -12.365 1.00 42.65 C ATOM 1038 C ASP B 33 26.915 10.452 -12.575 1.00 61.48 C ATOM 1039 O ASP B 33 27.209 9.520 -13.330 1.00 73.48 O ATOM 1040 CB ASP B 33 29.301 11.017 -12.067 1.00 51.22 C ATOM 1041 CG ASP B 33 29.372 10.282 -10.742 1.00 60.19 C ATOM 1042 OD1 ASP B 33 30.326 9.498 -10.568 1.00 60.68 O ATOM 1043 OD2 ASP B 33 28.477 10.468 -9.885 1.00 56.09 O ATOM 1044 H ASP B 33 27.757 12.270 -10.317 1.00 0.00 H ATOM 1045 N HIS B 34 25.756 10.508 -11.908 1.00 59.61 N ATOM 1046 CA HIS B 34 24.636 9.601 -12.128 1.00 77.36 C ATOM 1047 C HIS B 34 23.431 10.394 -12.635 1.00 75.36 C ATOM 1048 O HIS B 34 23.247 11.567 -12.289 1.00 61.76 O ATOM 1049 CB HIS B 34 24.225 8.857 -10.832 1.00 74.51 C ATOM 1050 CG HIS B 34 25.257 7.903 -10.295 1.00 86.80 C ATOM 1051 ND1 HIS B 34 26.458 8.320 -9.758 1.00 90.86 N ATOM 1052 CD2 HIS B 34 25.240 6.552 -10.167 1.00 80.69 C ATOM 1053 CE1 HIS B 34 27.143 7.269 -9.342 1.00 75.52 C ATOM 1054 NE2 HIS B 34 26.427 6.184 -9.579 1.00 83.19 N ATOM 1055 H HIS B 34 25.647 11.247 -11.185 1.00 0.00 H ATOM 1056 N SER B 35 22.593 9.738 -13.446 1.00 95.69 N ATOM 1057 CA SER B 35 21.391 10.391 -13.967 1.00 94.63 C ATOM 1058 C SER B 35 20.348 10.599 -12.871 1.00101.98 C ATOM 1059 O SER B 35 19.687 11.643 -12.821 1.00104.67 O ATOM 1060 CB SER B 35 20.794 9.564 -15.099 1.00 82.93 C ATOM 1061 OG SER B 35 20.279 8.354 -14.573 1.00 80.54 O ATOM 1062 HG SER B 35 19.577 8.558 -13.905 1.00 0.00 H ATOM 1063 H SER B 35 22.798 8.753 -13.709 1.00 0.00 H ATOM 1064 N SER B 36 20.162 9.602 -12.006 1.00 96.95 N ATOM 1065 CA SER B 36 19.221 9.702 -10.889 1.00 94.93 C ATOM 1066 C SER B 36 19.909 9.403 -9.559 1.00 94.84 C ATOM 1067 O SER B 36 19.261 9.369 -8.512 1.00 98.27 O ATOM 1068 CB SER B 36 18.047 8.746 -11.096 1.00 81.36 C ATOM 1069 OG SER B 36 17.793 8.577 -12.475 1.00 84.09 O ATOM 1070 HG SER B 36 18.598 8.203 -12.914 1.00 0.00 H ATOM 1071 H SER B 36 20.704 8.723 -12.129 1.00 0.00 H TER 1072 SER B 36 ATOM 1073 N GLU B 43 18.005 16.362 -8.878 1.00 90.69 N ATOM 1074 CA GLU B 43 17.848 16.883 -7.524 1.00 72.83 C ATOM 1075 C GLU B 43 19.237 17.013 -6.866 1.00 45.95 C ATOM 1076 O GLU B 43 20.045 16.099 -6.977 1.00 47.25 O ATOM 1077 CB GLU B 43 16.918 15.969 -6.726 1.00 50.13 C ATOM 1078 CG GLU B 43 16.656 16.367 -5.276 1.00 61.70 C ATOM 1079 CD GLU B 43 15.676 17.518 -5.130 1.00 80.06 C ATOM 1080 OE1 GLU B 43 14.838 17.723 -6.035 1.00 77.52 O ATOM 1081 OE2 GLU B 43 15.743 18.219 -4.095 1.00 77.22 O ATOM 1082 HN3 GLU B 43 18.462 15.428 -8.838 1.00 0.00 H ATOM 1083 HN2 GLU B 43 18.595 17.014 -9.433 1.00 0.00 H ATOM 1084 HN1 GLU B 43 17.070 16.273 -9.325 1.00 0.00 H ATOM 1085 N PRO B 44 19.537 18.161 -6.237 1.00 39.57 N ATOM 1086 CA PRO B 44 20.914 18.407 -5.757 1.00 35.16 C ATOM 1087 C PRO B 44 21.321 17.554 -4.568 1.00 32.56 C ATOM 1088 O PRO B 44 20.518 17.129 -3.741 1.00 31.46 O ATOM 1089 CB PRO B 44 20.914 19.891 -5.367 1.00 45.46 C ATOM 1090 CG PRO B 44 19.456 20.283 -5.276 1.00 65.32 C ATOM 1091 CD PRO B 44 18.698 19.376 -6.176 1.00 56.98 C ATOM 1092 N GLY B 45 22.620 17.387 -4.453 1.00 31.86 N ATOM 1093 CA GLY B 45 23.181 16.743 -3.293 1.00 30.19 C ATOM 1094 C GLY B 45 23.177 15.232 -3.344 1.00 35.92 C ATOM 1095 O GLY B 45 22.663 14.574 -4.249 1.00 39.15 O ATOM 1096 H GLY B 45 23.250 17.724 -5.209 1.00 0.00 H ATOM 1097 N VAL B 46 23.694 14.687 -2.255 1.00 73.97 N ATOM 1098 CA VAL B 46 24.027 13.280 -2.119 1.00 43.49 C ATOM 1099 C VAL B 46 22.912 12.606 -1.345 1.00 36.45 C ATOM 1100 O VAL B 46 22.619 13.003 -0.215 1.00 28.11 O ATOM 1101 CB VAL B 46 25.364 13.116 -1.374 1.00 55.12 C ATOM 1102 CG1 VAL B 46 25.837 11.712 -1.479 1.00 72.29 C ATOM 1103 CG2 VAL B 46 26.396 14.106 -1.899 1.00 62.21 C ATOM 1104 H VAL B 46 23.874 15.309 -1.441 1.00 0.00 H ATOM 1105 N PHE B 47 22.320 11.562 -1.912 1.00 26.32 N ATOM 1106 CA PHE B 47 21.194 10.894 -1.260 1.00 24.69 C ATOM 1107 C PHE B 47 21.673 9.854 -0.237 1.00 22.78 C ATOM 1108 O PHE B 47 22.496 8.993 -0.550 1.00 23.18 O ATOM 1109 CB PHE B 47 20.317 10.255 -2.339 1.00 26.79 C ATOM 1110 CG PHE B 47 19.028 9.617 -1.855 1.00 37.02 C ATOM 1111 CD1 PHE B 47 17.797 10.242 -2.111 1.00 48.54 C ATOM 1112 CD2 PHE B 47 19.014 8.356 -1.252 1.00 42.18 C ATOM 1113 CE1 PHE B 47 16.592 9.662 -1.728 1.00 42.00 C ATOM 1114 CE2 PHE B 47 17.791 7.762 -0.863 1.00 38.67 C ATOM 1115 CZ PHE B 47 16.590 8.426 -1.107 1.00 33.66 C ATOM 1116 H PHE B 47 22.661 11.215 -2.831 1.00 0.00 H ATOM 1117 N ILE B 48 21.138 9.940 0.968 1.00 21.07 N ATOM 1118 CA ILE B 48 21.436 8.998 2.044 1.00 19.70 C ATOM 1119 C ILE B 48 20.498 7.813 1.880 1.00 20.25 C ATOM 1120 O ILE B 48 19.287 7.949 2.022 1.00 21.57 O ATOM 1121 CB ILE B 48 21.290 9.648 3.425 1.00 23.54 C ATOM 1122 CG1 ILE B 48 22.357 10.744 3.587 1.00 24.68 C ATOM 1123 CG2 ILE B 48 21.387 8.607 4.541 1.00 25.79 C ATOM 1124 CD1 ILE B 48 22.324 11.421 4.964 1.00 28.67 C ATOM 1125 H ILE B 48 20.473 10.716 1.160 1.00 0.00 H ATOM 1126 N SER B 49 21.085 6.642 1.663 1.00 23.37 N ATOM 1127 CA SER B 49 20.378 5.433 1.259 1.00 22.59 C ATOM 1128 C SER B 49 20.233 4.406 2.365 1.00 22.56 C ATOM 1129 O SER B 49 19.425 3.471 2.233 1.00 27.16 O ATOM 1130 CB SER B 49 21.139 4.772 0.091 1.00 23.67 C ATOM 1131 OG SER B 49 22.529 4.679 0.360 1.00 28.68 O ATOM 1132 HG SER B 49 22.898 5.587 0.501 1.00 0.00 H ATOM 1133 H SER B 49 22.116 6.584 1.789 1.00 0.00 H ATOM 1134 N LYS B 50 21.017 4.539 3.428 1.00 20.21 N ATOM 1135 CA LYS B 50 20.945 3.628 4.563 1.00 23.01 C ATOM 1136 C LYS B 50 21.478 4.371 5.783 1.00 32.46 C ATOM 1137 O LYS B 50 22.394 5.191 5.661 1.00 20.75 O ATOM 1138 CB LYS B 50 21.773 2.358 4.273 1.00 22.83 C ATOM 1139 CG LYS B 50 21.417 1.115 5.090 1.00 44.45 C ATOM 1140 CD LYS B 50 22.573 0.107 5.171 1.00 68.22 C ATOM 1141 CE LYS B 50 23.117 -0.308 3.825 1.00 73.89 C ATOM 1142 NZ LYS B 50 24.097 -1.429 3.932 1.00 88.22 N ATOM 1143 HZ1 LYS B 50 24.897 -1.133 4.526 1.00 0.00 H ATOM 1144 HZ2 LYS B 50 23.632 -2.255 4.361 1.00 0.00 H ATOM 1145 HZ3 LYS B 50 24.442 -1.678 2.983 1.00 0.00 H ATOM 1146 H LYS B 50 21.705 5.319 3.451 1.00 0.00 H ATOM 1147 N VAL B 51 20.863 4.133 6.939 1.00 20.14 N ATOM 1148 CA VAL B 51 21.313 4.702 8.204 1.00 17.73 C ATOM 1149 C VAL B 51 21.212 3.598 9.250 1.00 23.49 C ATOM 1150 O VAL B 51 20.113 3.100 9.527 1.00 23.60 O ATOM 1151 CB VAL B 51 20.483 5.931 8.629 1.00 23.50 C ATOM 1152 CG1 VAL B 51 20.931 6.401 10.037 1.00 22.64 C ATOM 1153 CG2 VAL B 51 20.690 7.064 7.631 1.00 23.59 C ATOM 1154 H VAL B 51 20.026 3.515 6.940 1.00 0.00 H ATOM 1155 N LEU B 52 22.339 3.199 9.810 1.00 20.59 N ATOM 1156 CA LEU B 52 22.337 2.083 10.735 1.00 26.05 C ATOM 1157 C LEU B 52 21.750 2.535 12.066 1.00 32.74 C ATOM 1158 O LEU B 52 22.236 3.519 12.648 1.00 23.70 O ATOM 1159 CB LEU B 52 23.754 1.533 10.952 1.00 31.57 C ATOM 1160 CG LEU B 52 24.433 1.049 9.676 1.00 41.31 C ATOM 1161 CD1 LEU B 52 25.875 0.588 9.969 1.00 35.51 C ATOM 1162 CD2 LEU B 52 23.630 -0.061 9.013 1.00 82.24 C ATOM 1163 H LEU B 52 23.230 3.686 9.587 1.00 0.00 H ATOM 1164 N PRO B 53 20.752 1.824 12.592 1.00 21.83 N ATOM 1165 CA PRO B 53 20.084 2.259 13.827 1.00 22.04 C ATOM 1166 C PRO B 53 21.019 2.488 14.993 1.00 25.51 C ATOM 1167 O PRO B 53 20.808 3.429 15.764 1.00 25.79 O ATOM 1168 CB PRO B 53 19.113 1.107 14.117 1.00 33.54 C ATOM 1169 CG PRO B 53 18.822 0.527 12.761 1.00 43.61 C ATOM 1170 CD PRO B 53 20.054 0.700 11.943 1.00 24.78 C ATOM 1171 N ARG B 54 22.041 1.664 15.128 1.00 24.49 N ATOM 1172 CA ARG B 54 22.951 1.726 16.260 1.00 26.88 C ATOM 1173 C ARG B 54 24.114 2.672 16.019 1.00 35.18 C ATOM 1174 O ARG B 54 24.932 2.863 16.925 1.00 26.57 O ATOM 1175 CB ARG B 54 23.452 0.315 16.579 1.00 29.10 C ATOM 1176 CG ARG B 54 22.377 -0.574 17.149 1.00 32.40 C ATOM 1177 CD ARG B 54 22.869 -2.001 17.342 1.00 60.10 C ATOM 1178 NE ARG B 54 24.142 -2.082 18.069 1.00 99.93 N ATOM 1179 CZ ARG B 54 24.273 -2.137 19.397 1.00 98.29 C ATOM 1180 NH1 ARG B 54 23.204 -2.113 20.190 1.00 86.59 N ATOM 1181 NH2 ARG B 54 25.489 -2.214 19.937 1.00 93.74 N ATOM 1182 HE ARG B 54 25.014 -2.098 17.503 1.00 0.00 H ATOM 1183 HH12 ARG B 54 23.321 -2.157 21.222 1.00 0.00 H ATOM 1184 HH11 ARG B 54 22.252 -2.051 19.777 1.00 0.00 H ATOM 1185 HH22 ARG B 54 25.597 -2.257 20.970 1.00 0.00 H ATOM 1186 HH21 ARG B 54 26.330 -2.231 19.325 1.00 0.00 H ATOM 1187 H ARG B 54 22.202 0.943 14.396 1.00 0.00 H ATOM 1188 N GLY B 55 24.159 3.319 14.858 1.00 25.98 N ATOM 1189 CA GLY B 55 25.320 4.076 14.437 1.00 22.50 C ATOM 1190 C GLY B 55 25.216 5.554 14.805 1.00 28.21 C ATOM 1191 O GLY B 55 24.200 6.032 15.307 1.00 20.36 O ATOM 1192 H GLY B 55 23.331 3.280 14.230 1.00 0.00 H ATOM 1193 N LEU B 56 26.295 6.293 14.514 1.00 23.82 N ATOM 1194 CA LEU B 56 26.361 7.703 14.909 1.00 20.11 C ATOM 1195 C LEU B 56 25.416 8.570 14.096 1.00 18.10 C ATOM 1196 O LEU B 56 24.856 9.555 14.615 1.00 17.47 O ATOM 1197 CB LEU B 56 27.790 8.236 14.758 1.00 25.83 C ATOM 1198 CG LEU B 56 28.768 7.731 15.807 1.00 49.78 C ATOM 1199 CD1 LEU B 56 30.191 8.172 15.441 1.00 62.17 C ATOM 1200 CD2 LEU B 56 28.374 8.241 17.168 1.00 72.95 C ATOM 1201 H LEU B 56 27.092 5.863 14.004 1.00 0.00 H ATOM 1202 N ALA B 57 25.280 8.258 12.811 1.00 17.43 N ATOM 1203 CA ALA B 57 24.382 9.032 11.953 1.00 20.80 C ATOM 1204 C ALA B 57 22.952 8.982 12.486 1.00 19.36 C ATOM 1205 O ALA B 57 22.269 10.004 12.553 1.00 23.94 O ATOM 1206 CB ALA B 57 24.442 8.474 10.528 1.00 16.61 C ATOM 1207 H ALA B 57 25.815 7.460 12.413 1.00 0.00 H ATOM 1208 N ALA B 58 22.474 7.771 12.849 1.00 16.97 N ATOM 1209 CA ALA B 58 21.129 7.652 13.421 1.00 20.72 C ATOM 1210 C ALA B 58 21.005 8.505 14.669 1.00 16.31 C ATOM 1211 O ALA B 58 20.038 9.276 14.836 1.00 20.56 O ATOM 1212 CB ALA B 58 20.793 6.191 13.743 1.00 19.46 C ATOM 1213 H ALA B 58 23.061 6.922 12.722 1.00 0.00 H ATOM 1214 N ARG B 59 21.993 8.371 15.575 1.00 17.40 N ATOM 1215 CA ARG B 59 21.976 9.139 16.812 1.00 17.95 C ATOM 1216 C ARG B 59 21.971 10.621 16.543 1.00 17.49 C ATOM 1217 O ARG B 59 21.280 11.369 17.240 1.00 18.35 O ATOM 1218 CB ARG B 59 23.178 8.779 17.699 1.00 19.77 C ATOM 1219 CG ARG B 59 23.147 9.443 19.036 1.00 20.88 C ATOM 1220 CD ARG B 59 21.997 9.006 19.859 1.00 21.65 C ATOM 1221 NE ARG B 59 22.053 9.508 21.233 1.00 23.33 N ATOM 1222 CZ ARG B 59 21.198 9.164 22.178 1.00 24.69 C ATOM 1223 NH1 ARG B 59 20.227 8.291 21.908 1.00 24.57 N ATOM 1224 NH2 ARG B 59 21.324 9.660 23.407 1.00 26.53 N ATOM 1225 HE ARG B 59 22.812 10.175 21.479 1.00 0.00 H ATOM 1226 HH12 ARG B 59 19.552 8.018 22.651 1.00 0.00 H ATOM 1227 HH11 ARG B 59 20.145 7.883 20.955 1.00 0.00 H ATOM 1228 HH22 ARG B 59 20.649 9.387 24.150 1.00 0.00 H ATOM 1229 HH21 ARG B 59 22.098 10.320 23.625 1.00 0.00 H ATOM 1230 H ARG B 59 22.776 7.712 15.389 1.00 0.00 H ATOM 1231 N SER B 60 22.668 11.061 15.495 1.00 17.96 N ATOM 1232 CA SER B 60 22.750 12.492 15.241 1.00 19.10 C ATOM 1233 C SER B 60 21.528 13.064 14.568 1.00 30.76 C ATOM 1234 O SER B 60 21.408 14.280 14.501 1.00 24.02 O ATOM 1235 CB SER B 60 23.941 12.792 14.385 1.00 20.22 C ATOM 1236 OG SER B 60 25.113 12.315 15.048 1.00 31.99 O ATOM 1237 HG SER B 60 25.037 11.338 15.189 1.00 0.00 H ATOM 1238 H SER B 60 23.149 10.388 14.865 1.00 0.00 H ATOM 1239 N GLY B 61 20.645 12.240 14.058 1.00 20.39 N ATOM 1240 CA GLY B 61 19.424 12.708 13.417 1.00 17.33 C ATOM 1241 C GLY B 61 19.309 12.501 11.924 1.00 19.24 C ATOM 1242 O GLY B 61 18.346 13.001 11.326 1.00 21.83 O ATOM 1243 H GLY B 61 20.823 11.217 14.113 1.00 0.00 H ATOM 1244 N LEU B 62 20.237 11.805 11.288 1.00 18.75 N ATOM 1245 CA LEU B 62 20.156 11.606 9.850 1.00 16.95 C ATOM 1246 C LEU B 62 19.189 10.492 9.511 1.00 20.75 C ATOM 1247 O LEU B 62 19.000 9.540 10.295 1.00 21.51 O ATOM 1248 CB LEU B 62 21.540 11.266 9.303 1.00 18.67 C ATOM 1249 CG LEU B 62 22.497 12.466 9.341 1.00 33.37 C ATOM 1250 CD1 LEU B 62 23.929 11.993 8.983 1.00 32.58 C ATOM 1251 CD2 LEU B 62 22.035 13.517 8.349 1.00 25.08 C ATOM 1252 H LEU B 62 21.031 11.397 11.821 1.00 0.00 H ATOM 1253 N ARG B 63 18.613 10.586 8.307 1.00 20.37 N ATOM 1254 CA ARG B 63 17.578 9.638 7.874 1.00 20.57 C ATOM 1255 C ARG B 63 17.750 9.251 6.413 1.00 20.53 C ATOM 1256 O ARG B 63 18.235 10.038 5.591 1.00 20.91 O ATOM 1257 CB ARG B 63 16.151 10.204 8.052 1.00 22.59 C ATOM 1258 CG ARG B 63 15.844 10.653 9.494 1.00 18.01 C ATOM 1259 CD ARG B 63 14.480 11.274 9.566 1.00 17.79 C ATOM 1260 NE ARG B 63 14.254 11.871 10.876 1.00 25.04 N ATOM 1261 CZ ARG B 63 13.290 12.728 11.151 1.00 33.67 C ATOM 1262 NH1 ARG B 63 13.186 13.224 12.377 1.00 20.15 N ATOM 1263 NH2 ARG B 63 12.448 13.110 10.203 1.00 31.59 N ATOM 1264 HE ARG B 63 14.898 11.603 11.648 1.00 0.00 H ATOM 1265 HH12 ARG B 63 12.429 13.900 12.602 1.00 0.00 H ATOM 1266 HH11 ARG B 63 13.862 12.937 13.113 1.00 0.00 H ATOM 1267 HH22 ARG B 63 11.689 13.786 10.423 1.00 0.00 H ATOM 1268 HH21 ARG B 63 12.546 12.734 9.238 1.00 0.00 H ATOM 1269 H ARG B 63 18.905 11.348 7.663 1.00 0.00 H ATOM 1270 N VAL B 64 17.323 8.023 6.101 1.00 20.00 N ATOM 1271 CA VAL B 64 17.173 7.608 4.710 1.00 21.65 C ATOM 1272 C VAL B 64 16.304 8.628 3.992 1.00 20.99 C ATOM 1273 O VAL B 64 15.259 9.048 4.501 1.00 25.83 O ATOM 1274 CB VAL B 64 16.588 6.186 4.646 1.00 22.19 C ATOM 1275 CG1 VAL B 64 16.273 5.798 3.229 1.00 27.81 C ATOM 1276 CG2 VAL B 64 17.590 5.216 5.233 1.00 22.69 C ATOM 1277 H VAL B 64 17.094 7.352 6.862 1.00 0.00 H ATOM 1278 N GLY B 65 16.733 9.005 2.808 1.00 22.18 N ATOM 1279 CA GLY B 65 16.052 10.000 2.010 1.00 24.19 C ATOM 1280 C GLY B 65 16.550 11.406 2.197 1.00 21.61 C ATOM 1281 O GLY B 65 16.256 12.255 1.363 1.00 22.49 O ATOM 1282 H GLY B 65 17.598 8.569 2.430 1.00 0.00 H ATOM 1283 N ASP B 66 17.316 11.679 3.253 1.00 20.03 N ATOM 1284 CA ASP B 66 17.954 12.988 3.361 1.00 21.17 C ATOM 1285 C ASP B 66 18.901 13.202 2.183 1.00 38.86 C ATOM 1286 O ASP B 66 19.531 12.271 1.691 1.00 22.70 O ATOM 1287 CB ASP B 66 18.746 13.078 4.660 1.00 18.19 C ATOM 1288 CG ASP B 66 17.866 13.212 5.878 1.00 23.19 C ATOM 1289 OD1 ASP B 66 16.619 13.317 5.719 1.00 22.02 O ATOM 1290 OD2 ASP B 66 18.429 13.166 7.004 1.00 20.30 O ATOM 1291 H ASP B 66 17.458 10.964 3.995 1.00 0.00 H ATOM 1292 N ARG B 67 19.016 14.442 1.726 1.00 23.00 N ATOM 1293 CA ARG B 67 20.044 14.809 0.756 1.00 20.89 C ATOM 1294 C ARG B 67 21.075 15.721 1.390 1.00 22.31 C ATOM 1295 O ARG B 67 20.718 16.771 1.941 1.00 23.28 O ATOM 1296 CB ARG B 67 19.412 15.510 -0.444 1.00 22.19 C ATOM 1297 CG ARG B 67 18.391 14.573 -1.101 1.00 36.09 C ATOM 1298 CD ARG B 67 17.759 15.124 -2.351 1.00 63.45 C ATOM 1299 NE ARG B 67 16.569 14.351 -2.680 1.00107.13 N ATOM 1300 CZ ARG B 67 16.550 13.293 -3.482 1.00 82.71 C ATOM 1301 NH1 ARG B 67 17.665 12.868 -4.073 1.00 62.96 N ATOM 1302 NH2 ARG B 67 15.399 12.667 -3.702 1.00 64.30 N ATOM 1303 HE ARG B 67 15.668 14.650 -2.255 1.00 0.00 H ATOM 1304 HH12 ARG B 67 17.638 12.038 -4.699 1.00 0.00 H ATOM 1305 HH11 ARG B 67 18.563 13.366 -3.908 1.00 0.00 H ATOM 1306 HH22 ARG B 67 15.370 11.837 -4.328 1.00 0.00 H ATOM 1307 HH21 ARG B 67 14.527 13.007 -3.248 1.00 0.00 H ATOM 1308 H ARG B 67 18.357 15.171 2.067 1.00 0.00 H ATOM 1309 N ILE B 68 22.357 15.353 1.264 1.00 20.14 N ATOM 1310 CA ILE B 68 23.442 16.170 1.813 1.00 27.50 C ATOM 1311 C ILE B 68 23.831 17.261 0.818 1.00 22.93 C ATOM 1312 O ILE B 68 24.176 16.979 -0.337 1.00 27.78 O ATOM 1313 CB ILE B 68 24.654 15.308 2.175 1.00 33.34 C ATOM 1314 CG1 ILE B 68 24.257 14.233 3.178 1.00 38.80 C ATOM 1315 CG2 ILE B 68 25.702 16.181 2.799 1.00 29.23 C ATOM 1316 CD1 ILE B 68 25.247 13.116 3.271 1.00 34.73 C ATOM 1317 H ILE B 68 22.587 14.469 0.766 1.00 0.00 H ATOM 1318 N LEU B 69 23.751 18.510 1.256 1.00 29.22 N ATOM 1319 CA LEU B 69 24.078 19.662 0.418 1.00 39.97 C ATOM 1320 C LEU B 69 25.444 20.237 0.724 1.00 26.48 C ATOM 1321 O LEU B 69 26.088 20.791 -0.172 1.00 32.86 O ATOM 1322 CB LEU B 69 23.047 20.771 0.601 1.00 22.62 C ATOM 1323 CG LEU B 69 21.592 20.284 0.565 1.00 24.73 C ATOM 1324 CD1 LEU B 69 20.618 21.429 0.868 1.00 27.39 C ATOM 1325 CD2 LEU B 69 21.257 19.561 -0.782 1.00 24.20 C ATOM 1326 H LEU B 69 23.443 18.677 2.235 1.00 0.00 H ATOM 1327 N ALA B 70 25.894 20.131 1.974 1.00 27.95 N ATOM 1328 CA ALA B 70 27.177 20.703 2.358 1.00 28.68 C ATOM 1329 C ALA B 70 27.769 19.899 3.507 1.00 26.74 C ATOM 1330 O ALA B 70 27.039 19.363 4.346 1.00 27.66 O ATOM 1331 CB ALA B 70 27.024 22.190 2.732 1.00 31.81 C ATOM 1332 H ALA B 70 25.321 19.633 2.685 1.00 0.00 H ATOM 1333 N VAL B 71 29.104 19.857 3.551 1.00 30.86 N ATOM 1334 CA VAL B 71 29.870 19.175 4.595 1.00 30.48 C ATOM 1335 C VAL B 71 30.931 20.140 5.093 1.00 24.87 C ATOM 1336 O VAL B 71 31.839 20.503 4.334 1.00 33.98 O ATOM 1337 CB VAL B 71 30.543 17.893 4.091 1.00 25.16 C ATOM 1338 CG1 VAL B 71 31.146 17.138 5.286 1.00 39.42 C ATOM 1339 CG2 VAL B 71 29.553 16.999 3.319 1.00 26.03 C ATOM 1340 H VAL B 71 29.632 20.339 2.796 1.00 0.00 H ATOM 1341 N ASN B 72 30.822 20.561 6.349 1.00 29.08 N ATOM 1342 CA ASN B 72 31.831 21.434 6.936 1.00 31.17 C ATOM 1343 C ASN B 72 32.195 22.558 5.967 1.00 56.34 C ATOM 1344 O ASN B 72 33.363 22.829 5.703 1.00 43.03 O ATOM 1345 CB ASN B 72 33.072 20.622 7.327 1.00 38.85 C ATOM 1346 CG ASN B 72 32.903 19.905 8.653 1.00 62.67 C ATOM 1347 OD1 ASN B 72 31.801 19.845 9.189 1.00 45.18 O ATOM 1348 ND2 ASN B 72 34.000 19.372 9.196 1.00 45.81 N ATOM 1349 HD22 ASN B 72 34.913 19.448 8.704 1.00 0.00 H ATOM 1350 HD21 ASN B 72 33.941 18.881 10.111 1.00 0.00 H ATOM 1351 H ASN B 72 30.006 20.264 6.921 1.00 0.00 H ATOM 1352 N GLY B 73 31.172 23.186 5.390 1.00 48.88 N ATOM 1353 CA GLY B 73 31.377 24.307 4.512 1.00 44.59 C ATOM 1354 C GLY B 73 31.778 23.962 3.096 1.00 46.51 C ATOM 1355 O GLY B 73 31.876 24.868 2.263 1.00 48.83 O ATOM 1356 H GLY B 73 30.203 22.859 5.578 1.00 0.00 H ATOM 1357 N GLN B 74 32.022 22.697 2.781 1.00 39.24 N ATOM 1358 CA GLN B 74 32.265 22.312 1.402 1.00 49.86 C ATOM 1359 C GLN B 74 30.923 22.028 0.752 1.00 44.99 C ATOM 1360 O GLN B 74 30.227 21.083 1.145 1.00 33.38 O ATOM 1361 CB GLN B 74 33.159 21.084 1.290 1.00 49.33 C ATOM 1362 CG GLN B 74 33.505 20.759 -0.154 1.00 44.87 C ATOM 1363 CD GLN B 74 34.242 19.455 -0.298 1.00 59.98 C ATOM 1364 OE1 GLN B 74 34.675 18.870 0.684 1.00 57.19 O ATOM 1365 NE2 GLN B 74 34.375 18.982 -1.528 1.00 79.93 N ATOM 1366 HE22 GLN B 74 33.990 19.514 -2.334 1.00 0.00 H ATOM 1367 HE21 GLN B 74 34.864 18.078 -1.687 1.00 0.00 H ATOM 1368 H GLN B 74 32.039 21.974 3.528 1.00 0.00 H ATOM 1369 N ASP B 75 30.570 22.832 -0.246 1.00 38.05 N ATOM 1370 CA ASP B 75 29.352 22.592 -1.005 1.00 43.48 C ATOM 1371 C ASP B 75 29.480 21.302 -1.807 1.00 36.51 C ATOM 1372 O ASP B 75 30.456 21.114 -2.540 1.00 44.43 O ATOM 1373 CB ASP B 75 29.101 23.775 -1.924 1.00 40.56 C ATOM 1374 CG ASP B 75 28.090 23.473 -3.009 1.00 48.13 C ATOM 1375 OD1 ASP B 75 27.099 22.768 -2.725 1.00 45.79 O ATOM 1376 OD2 ASP B 75 28.278 23.978 -4.132 1.00 51.82 O ATOM 1377 H ASP B 75 31.173 23.644 -0.488 1.00 0.00 H ATOM 1378 N VAL B 76 28.490 20.418 -1.680 1.00 38.51 N ATOM 1379 CA VAL B 76 28.486 19.171 -2.438 1.00 33.01 C ATOM 1380 C VAL B 76 27.167 18.998 -3.183 1.00 35.80 C ATOM 1381 O VAL B 76 26.769 17.875 -3.512 1.00 31.00 O ATOM 1382 CB VAL B 76 28.770 17.964 -1.520 1.00 42.78 C ATOM 1383 CG1 VAL B 76 30.176 18.093 -0.891 1.00 40.54 C ATOM 1384 CG2 VAL B 76 27.684 17.791 -0.418 1.00 27.64 C ATOM 1385 H VAL B 76 27.705 20.621 -1.028 1.00 0.00 H ATOM 1386 N ARG B 77 26.487 20.104 -3.493 1.00 35.06 N ATOM 1387 CA ARG B 77 25.207 20.005 -4.208 1.00 34.43 C ATOM 1388 C ARG B 77 25.362 19.348 -5.575 1.00 41.42 C ATOM 1389 O ARG B 77 24.489 18.585 -6.004 1.00 41.07 O ATOM 1390 CB ARG B 77 24.575 21.380 -4.361 1.00 43.24 C ATOM 1391 CG ARG B 77 23.930 21.892 -3.104 1.00 37.56 C ATOM 1392 CD ARG B 77 23.668 23.393 -3.189 1.00 55.17 C ATOM 1393 NE ARG B 77 23.041 23.910 -1.967 1.00 59.80 N ATOM 1394 CZ ARG B 77 23.695 24.400 -0.917 1.00 65.25 C ATOM 1395 NH1 ARG B 77 25.023 24.463 -0.894 1.00 68.14 N ATOM 1396 NH2 ARG B 77 23.004 24.831 0.125 1.00 62.43 N ATOM 1397 HE ARG B 77 22.002 23.892 -1.918 1.00 0.00 H ATOM 1398 HH12 ARG B 77 25.511 24.850 -0.061 1.00 0.00 H ATOM 1399 HH11 ARG B 77 25.574 24.125 -1.709 1.00 0.00 H ATOM 1400 HH22 ARG B 77 23.499 25.217 0.954 1.00 0.00 H ATOM 1401 HH21 ARG B 77 21.965 24.784 0.116 1.00 0.00 H ATOM 1402 H ARG B 77 26.863 21.037 -3.228 1.00 0.00 H ATOM 1403 N ASP B 78 26.443 19.652 -6.288 1.00 43.33 N ATOM 1404 CA ASP B 78 26.710 19.102 -7.606 1.00 58.24 C ATOM 1405 C ASP B 78 27.974 18.245 -7.593 1.00 46.81 C ATOM 1406 O ASP B 78 28.734 18.208 -8.565 1.00 58.35 O ATOM 1407 CB ASP B 78 26.821 20.232 -8.628 1.00 68.49 C ATOM 1408 CG ASP B 78 25.598 21.143 -8.622 1.00 66.65 C ATOM 1409 OD1 ASP B 78 24.558 20.722 -9.179 1.00 63.18 O ATOM 1410 OD2 ASP B 78 25.668 22.259 -8.034 1.00 59.55 O ATOM 1411 H ASP B 78 27.132 20.317 -5.882 1.00 0.00 H ATOM 1412 N ALA B 79 28.199 17.527 -6.500 1.00 60.62 N ATOM 1413 CA ALA B 79 29.388 16.698 -6.344 1.00 49.72 C ATOM 1414 C ALA B 79 29.192 15.320 -6.970 1.00 43.22 C ATOM 1415 O ALA B 79 28.102 14.744 -6.909 1.00 55.33 O ATOM 1416 CB ALA B 79 29.729 16.536 -4.863 1.00 47.47 C ATOM 1417 H ALA B 79 27.503 17.557 -5.728 1.00 0.00 H ATOM 1418 N THR B 80 30.260 14.789 -7.573 1.00 39.29 N ATOM 1419 CA THR B 80 30.210 13.401 -8.000 1.00 56.15 C ATOM 1420 C THR B 80 30.164 12.492 -6.785 1.00 40.35 C ATOM 1421 O THR B 80 30.364 12.913 -5.641 1.00 42.89 O ATOM 1422 CB THR B 80 31.419 13.011 -8.843 1.00 46.96 C ATOM 1423 OG1 THR B 80 32.585 12.956 -8.017 1.00 45.80 O ATOM 1424 CG2 THR B 80 31.633 13.987 -9.984 1.00 54.61 C ATOM 1425 HG1 THR B 80 33.367 12.702 -8.569 1.00 0.00 H ATOM 1426 H THR B 80 31.114 15.361 -7.734 1.00 0.00 H ATOM 1427 N HIS B 81 29.923 11.213 -7.061 1.00 44.90 N ATOM 1428 CA HIS B 81 29.837 10.238 -5.990 1.00 45.82 C ATOM 1429 C HIS B 81 31.131 10.219 -5.206 1.00 36.47 C ATOM 1430 O HIS B 81 31.136 10.271 -3.969 1.00 31.91 O ATOM 1431 CB HIS B 81 29.551 8.864 -6.575 1.00 51.15 C ATOM 1432 CG HIS B 81 29.310 7.813 -5.542 1.00 33.92 C ATOM 1433 ND1 HIS B 81 28.158 7.765 -4.785 1.00 43.02 N ATOM 1434 CD2 HIS B 81 30.072 6.773 -5.137 1.00 44.87 C ATOM 1435 CE1 HIS B 81 28.225 6.739 -3.957 1.00 42.90 C ATOM 1436 NE2 HIS B 81 29.376 6.123 -4.148 1.00 42.11 N ATOM 1437 H HIS B 81 29.796 10.911 -8.048 1.00 0.00 H ATOM 1438 N GLN B 82 32.249 10.149 -5.919 1.00 32.71 N ATOM 1439 CA GLN B 82 33.528 10.078 -5.229 1.00 51.13 C ATOM 1440 C GLN B 82 33.844 11.391 -4.543 1.00 39.03 C ATOM 1441 O GLN B 82 34.412 11.398 -3.449 1.00 36.61 O ATOM 1442 CB GLN B 82 34.637 9.676 -6.198 1.00 59.37 C ATOM 1443 CG GLN B 82 34.545 8.210 -6.618 1.00 80.76 C ATOM 1444 CD GLN B 82 34.439 7.271 -5.423 1.00 74.55 C ATOM 1445 OE1 GLN B 82 35.167 7.418 -4.445 1.00 63.35 O ATOM 1446 NE2 GLN B 82 33.518 6.321 -5.491 1.00 74.99 N ATOM 1447 HE22 GLN B 82 32.923 6.233 -6.340 1.00 0.00 H ATOM 1448 HE21 GLN B 82 33.390 5.663 -4.696 1.00 0.00 H ATOM 1449 H GLN B 82 32.211 10.145 -6.958 1.00 0.00 H ATOM 1450 N GLU B 83 33.455 12.514 -5.143 1.00 61.86 N ATOM 1451 CA GLU B 83 33.699 13.789 -4.483 1.00 29.47 C ATOM 1452 C GLU B 83 32.906 13.893 -3.182 1.00 59.33 C ATOM 1453 O GLU B 83 33.376 14.483 -2.200 1.00 30.15 O ATOM 1454 CB GLU B 83 33.368 14.938 -5.438 1.00 73.74 C ATOM 1455 CG GLU B 83 34.326 15.017 -6.634 1.00 55.72 C ATOM 1456 CD GLU B 83 33.940 16.075 -7.643 1.00 69.78 C ATOM 1457 OE1 GLU B 83 34.782 16.382 -8.508 1.00 59.10 O ATOM 1458 OE2 GLU B 83 32.804 16.597 -7.577 1.00 35.64 O ATOM 1459 H GLU B 83 32.984 12.481 -6.070 1.00 0.00 H ATOM 1460 N ALA B 84 31.715 13.302 -3.135 1.00 34.99 N ATOM 1461 CA ALA B 84 30.955 13.329 -1.898 1.00 33.66 C ATOM 1462 C ALA B 84 31.519 12.348 -0.887 1.00 33.35 C ATOM 1463 O ALA B 84 31.488 12.618 0.319 1.00 29.56 O ATOM 1464 CB ALA B 84 29.478 13.025 -2.165 1.00 48.31 C ATOM 1465 H ALA B 84 31.332 12.825 -3.976 1.00 0.00 H ATOM 1466 N VAL B 85 32.027 11.209 -1.336 1.00 45.35 N ATOM 1467 CA VAL B 85 32.664 10.296 -0.397 1.00 29.79 C ATOM 1468 C VAL B 85 33.844 10.990 0.267 1.00 47.01 C ATOM 1469 O VAL B 85 33.976 10.997 1.495 1.00 34.01 O ATOM 1470 CB VAL B 85 33.103 9.000 -1.101 1.00 27.85 C ATOM 1471 CG1 VAL B 85 34.104 8.232 -0.207 1.00 36.54 C ATOM 1472 CG2 VAL B 85 31.866 8.143 -1.379 1.00 31.62 C ATOM 1473 H VAL B 85 31.971 10.970 -2.347 1.00 0.00 H ATOM 1474 N SER B 86 34.707 11.602 -0.541 1.00 49.72 N ATOM 1475 CA SER B 86 35.880 12.281 -0.002 1.00 42.26 C ATOM 1476 C SER B 86 35.491 13.373 0.973 1.00 47.88 C ATOM 1477 O SER B 86 36.180 13.595 1.975 1.00 32.34 O ATOM 1478 CB SER B 86 36.704 12.870 -1.133 1.00 42.39 C ATOM 1479 OG SER B 86 36.920 11.908 -2.132 1.00 41.15 O ATOM 1480 HG SER B 86 36.048 11.605 -2.491 1.00 0.00 H ATOM 1481 H SER B 86 34.543 11.596 -1.568 1.00 0.00 H ATOM 1482 N ALA B 87 34.411 14.093 0.680 1.00 33.89 N ATOM 1483 CA ALA B 87 33.997 15.171 1.554 1.00 32.59 C ATOM 1484 C ALA B 87 33.610 14.625 2.912 1.00 26.64 C ATOM 1485 O ALA B 87 33.945 15.216 3.950 1.00 32.39 O ATOM 1486 CB ALA B 87 32.829 15.942 0.938 1.00 33.17 C ATOM 1487 H ALA B 87 33.863 13.881 -0.178 1.00 0.00 H ATOM 1488 N LEU B 88 32.889 13.502 2.926 1.00 34.07 N ATOM 1489 CA LEU B 88 32.391 12.958 4.187 1.00 52.33 C ATOM 1490 C LEU B 88 33.506 12.298 4.983 1.00 36.84 C ATOM 1491 O LEU B 88 33.437 12.245 6.222 1.00 24.32 O ATOM 1492 CB LEU B 88 31.263 11.961 3.920 1.00 34.94 C ATOM 1493 CG LEU B 88 30.021 12.622 3.339 1.00 31.02 C ATOM 1494 CD1 LEU B 88 29.028 11.588 2.785 1.00 26.84 C ATOM 1495 CD2 LEU B 88 29.334 13.478 4.379 1.00 27.82 C ATOM 1496 H LEU B 88 32.680 13.011 2.033 1.00 0.00 H ATOM 1497 N LEU B 89 34.539 11.812 4.296 1.00 33.06 N ATOM 1498 CA LEU B 89 35.658 11.125 4.925 1.00 28.81 C ATOM 1499 C LEU B 89 36.850 12.048 5.076 1.00 31.56 C ATOM 1500 O LEU B 89 38.008 11.608 5.110 1.00 34.43 O ATOM 1501 CB LEU B 89 36.021 9.866 4.135 1.00 38.71 C ATOM 1502 CG LEU B 89 34.964 8.756 4.164 1.00 44.95 C ATOM 1503 CD1 LEU B 89 35.407 7.569 3.333 1.00 39.56 C ATOM 1504 CD2 LEU B 89 34.692 8.271 5.551 1.00 33.25 C ATOM 1505 H LEU B 89 34.546 11.929 3.263 1.00 0.00 H ATOM 1506 N ARG B 90 36.582 13.337 5.184 1.00 28.28 N ATOM 1507 CA ARG B 90 37.652 14.289 5.358 1.00 35.10 C ATOM 1508 C ARG B 90 38.484 13.901 6.577 1.00 40.03 C ATOM 1509 O ARG B 90 37.957 13.323 7.533 1.00 31.60 O ATOM 1510 CB ARG B 90 37.073 15.682 5.516 1.00 28.01 C ATOM 1511 CG ARG B 90 36.090 15.855 6.669 1.00 44.26 C ATOM 1512 CD ARG B 90 35.335 17.181 6.531 1.00 53.58 C ATOM 1513 NE ARG B 90 34.692 17.272 5.218 1.00102.84 N ATOM 1514 CZ ARG B 90 34.878 18.240 4.322 1.00 66.68 C ATOM 1515 NH1 ARG B 90 35.668 19.275 4.569 1.00 37.45 N ATOM 1516 NH2 ARG B 90 34.233 18.181 3.170 1.00 69.44 N ATOM 1517 HE ARG B 90 34.030 16.512 4.962 1.00 0.00 H ATOM 1518 HH12 ARG B 90 35.794 20.016 3.850 1.00 0.00 H ATOM 1519 HH11 ARG B 90 36.162 19.346 5.482 1.00 0.00 H ATOM 1520 HH22 ARG B 90 34.367 18.929 2.460 1.00 0.00 H ATOM 1521 HH21 ARG B 90 33.591 17.387 2.974 1.00 0.00 H ATOM 1522 H ARG B 90 35.596 13.667 5.143 1.00 0.00 H ATOM 1523 N PRO B 91 39.778 14.216 6.572 1.00 42.40 N ATOM 1524 CA PRO B 91 40.664 13.716 7.633 1.00 58.91 C ATOM 1525 C PRO B 91 40.237 14.154 9.031 1.00 34.23 C ATOM 1526 O PRO B 91 39.839 15.298 9.261 1.00 28.75 O ATOM 1527 CB PRO B 91 42.030 14.308 7.254 1.00 79.21 C ATOM 1528 CG PRO B 91 41.941 14.581 5.808 1.00 88.23 C ATOM 1529 CD PRO B 91 40.520 14.980 5.558 1.00 49.04 C ATOM 1530 N CYS B 92 40.324 13.228 9.965 1.00 39.25 N ATOM 1531 CA CYS B 92 40.298 13.548 11.377 1.00 45.46 C ATOM 1532 C CYS B 92 41.283 14.686 11.682 1.00 30.43 C ATOM 1533 O CYS B 92 42.402 14.659 11.212 1.00 31.81 O ATOM 1534 CB CYS B 92 40.654 12.295 12.182 1.00 40.41 C ATOM 1535 SG CYS B 92 39.483 10.947 12.026 1.00 35.66 S ATOM 1536 H CYS B 92 40.415 12.233 9.678 1.00 0.00 H TER 1537 CYS B 92 ATOM 1538 N GLU B 94 34.178 16.522 14.254 1.00 28.11 N ATOM 1539 CA GLU B 94 32.845 17.157 14.138 1.00 42.28 C ATOM 1540 C GLU B 94 32.385 17.422 12.699 1.00 25.63 C ATOM 1541 O GLU B 94 32.719 18.442 12.097 1.00 27.70 O ATOM 1542 CB GLU B 94 32.819 18.475 14.884 1.00 46.98 C ATOM 1543 CG GLU B 94 33.104 18.346 16.365 1.00 74.18 C ATOM 1544 CD GLU B 94 31.970 17.685 17.112 1.00 63.65 C ATOM 1545 OE1 GLU B 94 30.896 17.477 16.507 1.00 56.73 O ATOM 1546 OE2 GLU B 94 32.140 17.365 18.304 1.00 46.57 O ATOM 1547 HN3 GLU B 94 34.893 17.138 13.817 1.00 0.00 H ATOM 1548 HN2 GLU B 94 34.166 15.603 13.767 1.00 0.00 H ATOM 1549 HN1 GLU B 94 34.407 16.381 15.259 1.00 0.00 H ATOM 1550 N LEU B 95 31.562 16.534 12.164 1.00 22.03 N ATOM 1551 CA LEU B 95 31.142 16.610 10.781 1.00 34.36 C ATOM 1552 C LEU B 95 29.800 17.314 10.790 1.00 41.92 C ATOM 1553 O LEU B 95 28.846 16.820 11.399 1.00 45.49 O ATOM 1554 CB LEU B 95 31.059 15.207 10.179 1.00 43.47 C ATOM 1555 CG LEU B 95 31.349 14.978 8.706 1.00 65.50 C ATOM 1556 CD1 LEU B 95 32.719 15.457 8.334 1.00 31.60 C ATOM 1557 CD2 LEU B 95 31.225 13.498 8.422 1.00100.31 C ATOM 1558 H LEU B 95 31.206 15.757 12.756 1.00 0.00 H ATOM 1559 N SER B 96 29.748 18.497 10.180 1.00 31.31 N ATOM 1560 CA SER B 96 28.548 19.334 10.175 1.00 33.08 C ATOM 1561 C SER B 96 27.940 19.260 8.791 1.00 39.04 C ATOM 1562 O SER B 96 28.543 19.714 7.822 1.00 27.67 O ATOM 1563 CB SER B 96 28.887 20.778 10.545 1.00 45.32 C ATOM 1564 OG SER B 96 27.734 21.599 10.487 1.00 81.28 O ATOM 1565 HG SER B 96 27.979 22.527 10.730 1.00 0.00 H ATOM 1566 H SER B 96 30.597 18.840 9.686 1.00 0.00 H ATOM 1567 N LEU B 97 26.752 18.683 8.702 1.00 25.66 N ATOM 1568 CA LEU B 97 26.101 18.399 7.435 1.00 36.56 C ATOM 1569 C LEU B 97 24.901 19.314 7.301 1.00 30.93 C ATOM 1570 O LEU B 97 24.166 19.526 8.261 1.00 34.94 O ATOM 1571 CB LEU B 97 25.656 16.936 7.363 1.00 25.13 C ATOM 1572 CG LEU B 97 26.743 15.920 7.740 1.00 32.61 C ATOM 1573 CD1 LEU B 97 26.193 14.525 7.504 1.00 46.30 C ATOM 1574 CD2 LEU B 97 28.023 16.145 6.949 1.00 39.02 C ATOM 1575 H LEU B 97 26.262 18.421 9.581 1.00 0.00 H ATOM 1576 N LEU B 98 24.745 19.894 6.138 1.00 23.86 N ATOM 1577 CA LEU B 98 23.513 20.578 5.777 1.00 20.38 C ATOM 1578 C LEU B 98 22.721 19.610 4.926 1.00 23.28 C ATOM 1579 O LEU B 98 23.220 19.176 3.883 1.00 26.04 O ATOM 1580 CB LEU B 98 23.800 21.859 5.011 1.00 22.17 C ATOM 1581 CG LEU B 98 22.623 22.755 4.690 1.00 32.32 C ATOM 1582 CD1 LEU B 98 22.076 23.337 5.991 1.00 32.59 C ATOM 1583 CD2 LEU B 98 23.078 23.861 3.752 1.00 34.24 C ATOM 1584 H LEU B 98 25.525 19.865 5.451 1.00 0.00 H ATOM 1585 N VAL B 99 21.510 19.244 5.374 1.00 21.22 N ATOM 1586 CA VAL B 99 20.713 18.292 4.619 1.00 20.30 C ATOM 1587 C VAL B 99 19.332 18.832 4.324 1.00 23.05 C ATOM 1588 O VAL B 99 18.754 19.618 5.084 1.00 27.50 O ATOM 1589 CB VAL B 99 20.564 16.904 5.298 1.00 30.26 C ATOM 1590 CG1 VAL B 99 21.929 16.364 5.700 1.00 38.76 C ATOM 1591 CG2 VAL B 99 19.599 16.960 6.438 1.00 29.85 C ATOM 1592 H VAL B 99 21.142 19.642 6.262 1.00 0.00 H ATOM 1593 N ARG B 100 18.819 18.362 3.203 1.00 21.81 N ATOM 1594 CA ARG B 100 17.464 18.646 2.731 1.00 20.28 C ATOM 1595 C ARG B 100 16.609 17.417 2.973 1.00 20.50 C ATOM 1596 O ARG B 100 16.990 16.298 2.625 1.00 23.22 O ATOM 1597 CB ARG B 100 17.438 19.000 1.249 1.00 33.04 C ATOM 1598 CG ARG B 100 16.060 18.999 0.644 1.00 38.61 C ATOM 1599 CD ARG B 100 16.108 19.651 -0.708 1.00 27.05 C ATOM 1600 NE ARG B 100 16.308 21.097 -0.591 1.00 26.56 N ATOM 1601 CZ ARG B 100 17.276 21.790 -1.185 1.00 33.27 C ATOM 1602 NH1 ARG B 100 18.157 21.195 -1.963 1.00 24.63 N ATOM 1603 NH2 ARG B 100 17.345 23.108 -1.015 1.00 24.81 N ATOM 1604 HE ARG B 100 15.639 21.625 0.005 1.00 0.00 H ATOM 1605 HH12 ARG B 100 18.907 21.752 -2.420 1.00 0.00 H ATOM 1606 HH11 ARG B 100 18.102 20.168 -2.121 1.00 0.00 H ATOM 1607 HH22 ARG B 100 18.100 23.653 -1.478 1.00 0.00 H ATOM 1608 HH21 ARG B 100 16.644 23.593 -0.419 1.00 0.00 H ATOM 1609 H ARG B 100 19.419 17.748 2.615 1.00 0.00 H ATOM 1610 N ARG B 101 15.441 17.640 3.519 1.00 22.78 N ATOM 1611 CA ARG B 101 14.567 16.551 3.870 1.00 22.85 C ATOM 1612 C ARG B 101 13.184 16.916 3.366 1.00 20.84 C ATOM 1613 O ARG B 101 12.760 18.075 3.447 1.00 24.51 O ATOM 1614 CB ARG B 101 14.635 16.335 5.395 1.00 27.03 C ATOM 1615 CG ARG B 101 13.611 15.413 5.987 1.00 31.93 C ATOM 1616 CD ARG B 101 13.829 15.338 7.471 1.00 24.25 C ATOM 1617 NE ARG B 101 15.130 14.730 7.755 1.00 19.72 N ATOM 1618 CZ ARG B 101 15.707 14.710 8.956 1.00 22.18 C ATOM 1619 NH1 ARG B 101 15.113 15.234 9.996 1.00 21.10 N ATOM 1620 NH2 ARG B 101 16.885 14.158 9.100 1.00 17.70 N ATOM 1621 HE ARG B 101 15.639 14.283 6.966 1.00 0.00 H ATOM 1622 HH12 ARG B 101 15.577 15.210 10.927 1.00 0.00 H ATOM 1623 HH11 ARG B 101 14.177 15.675 9.893 1.00 0.00 H ATOM 1624 HH22 ARG B 101 17.340 14.140 10.035 1.00 0.00 H ATOM 1625 HH21 ARG B 101 17.366 13.738 8.279 1.00 0.00 H ATOM 1626 H ARG B 101 15.139 18.618 3.702 1.00 0.00 H ATOM 1627 N ASP B 102 12.493 15.937 2.825 1.00 29.57 N ATOM 1628 CA ASP B 102 11.144 16.195 2.395 1.00 34.58 C ATOM 1629 C ASP B 102 10.195 16.182 3.594 1.00 34.95 C ATOM 1630 O ASP B 102 9.095 16.728 3.476 1.00 30.62 O ATOM 1631 CB ASP B 102 10.721 15.171 1.342 1.00 47.91 C ATOM 1632 CG ASP B 102 11.750 15.023 0.249 1.00 71.80 C ATOM 1633 OD1 ASP B 102 12.254 16.066 -0.235 1.00 66.11 O ATOM 1634 OD2 ASP B 102 12.073 13.869 -0.101 1.00 86.11 O ATOM 1635 OXT ASP B 102 10.490 15.680 4.691 1.00 38.45 O ATOM 1636 H ASP B 102 12.914 14.993 2.710 1.00 0.00 H TER 1637 ASP B 102 HETATM 1638 O HOH 1 1.596 7.485 9.716 1.00 32.54 O HETATM 1639 O HOH 2 4.735 6.016 14.540 1.00 32.17 O HETATM 1640 O HOH 3 12.504 -4.796 15.689 1.00 40.35 O HETATM 1641 O HOH 4 1.998 7.136 37.040 1.00 43.99 O HETATM 1642 O HOH 5 9.131 -0.111 11.913 1.00 43.87 O HETATM 1643 O HOH 6 5.776 3.200 13.444 1.00 44.31 O HETATM 1644 O HOH 7 12.432 0.887 17.967 1.00 21.44 O HETATM 1645 O HOH 8 -1.701 8.410 20.121 1.00 50.70 O HETATM 1646 O HOH 9 23.343 12.884 26.505 1.00 25.20 O HETATM 1647 O HOH 10 18.584 -1.987 15.951 1.00 41.22 O HETATM 1648 O HOH 11 18.938 3.422 18.140 1.00 19.52 O HETATM 1649 O HOH 12 4.225 15.791 37.945 1.00 48.95 O HETATM 1650 O HOH 13 17.333 7.332 10.624 1.00 22.55 O HETATM 1651 O HOH 14 17.404 -2.929 20.119 1.00 36.62 O HETATM 1652 O HOH 15 16.728 11.592 15.818 1.00 29.29 O HETATM 1653 O HOH 16 8.442 -4.708 23.451 1.00 48.75 O HETATM 1654 O HOH 17 19.095 13.035 16.776 1.00 22.28 O HETATM 1655 O HOH 18 2.998 8.926 19.586 1.00 27.55 O HETATM 1656 O HOH 19 8.086 -5.017 28.007 1.00 69.84 O HETATM 1657 O HOH 20 14.946 16.130 37.692 1.00 48.83 O HETATM 1658 O HOH 21 9.419 -1.716 23.061 1.00 29.98 O HETATM 1659 O HOH 22 12.621 5.412 9.851 1.00 60.47 O HETATM 1660 O HOH 23 8.232 17.450 34.966 1.00 53.70 O HETATM 1661 O HOH 24 22.764 13.194 19.166 1.00 29.09 O HETATM 1662 O HOH 25 0.051 10.403 37.133 1.00 47.50 O HETATM 1663 O HOH 26 12.233 12.206 33.197 1.00 26.91 O HETATM 1664 O HOH 27 1.241 2.287 31.495 1.00 33.22 O HETATM 1665 O HOH 28 1.672 3.241 12.030 1.00 46.30 O HETATM 1666 O HOH 29 10.204 11.756 36.507 1.00 32.39 O HETATM 1667 O HOH 30 14.011 8.173 11.756 1.00 26.75 O HETATM 1668 O HOH 31 12.569 16.562 10.401 1.00 25.09 O HETATM 1669 O HOH 32 13.298 18.769 37.259 1.00 39.29 O HETATM 1670 O HOH 33 -2.191 11.527 25.302 1.00 39.20 O HETATM 1671 O HOH 34 11.642 20.357 35.987 1.00 44.99 O HETATM 1672 O HOH 35 8.144 0.997 15.057 1.00 41.43 O HETATM 1673 O HOH 36 1.536 14.610 30.431 1.00 37.06 O HETATM 1674 O HOH 37 4.883 16.538 32.636 1.00 44.55 O HETATM 1675 O HOH 38 -1.411 11.598 32.638 1.00 50.41 O HETATM 1676 O HOH 39 20.809 9.378 34.976 1.00 61.47 O HETATM 1677 O HOH 40 23.194 1.758 27.425 1.00 56.94 O HETATM 1678 O HOH 41 7.792 6.205 10.222 1.00 35.92 O HETATM 1679 O HOH 42 24.169 5.028 22.367 1.00 36.71 O HETATM 1680 O HOH 43 16.088 -2.854 23.951 1.00 26.36 O HETATM 1681 O HOH 44 2.025 6.499 19.620 1.00 28.43 O HETATM 1682 O HOH 45 10.050 5.603 9.607 1.00 41.62 O HETATM 1683 O HOH 46 14.360 13.326 34.740 1.00 33.57 O HETATM 1684 O HOH 47 12.232 7.161 38.810 1.00 34.38 O HETATM 1685 O HOH 48 11.134 18.143 23.401 1.00 28.95 O HETATM 1686 O HOH 49 26.564 7.196 27.361 1.00 59.13 O HETATM 1687 O HOH 50 8.011 18.286 17.014 1.00 65.88 O HETATM 1688 O HOH 51 25.824 6.597 18.168 1.00 26.40 O HETATM 1689 O HOH 52 21.076 11.187 33.178 1.00 51.12 O HETATM 1690 O HOH 53 7.150 22.516 30.044 1.00 45.63 O HETATM 1691 O HOH 54 7.443 3.780 11.726 1.00 30.08 O HETATM 1692 O HOH 55 19.475 0.784 22.435 1.00 29.38 O HETATM 1693 O HOH 56 22.693 2.236 24.785 1.00 37.00 O HETATM 1694 O HOH 57 17.570 17.803 34.003 1.00 33.33 O HETATM 1695 O HOH 58 20.682 13.499 34.746 1.00 60.50 O HETATM 1696 O HOH 59 16.889 -0.268 9.981 1.00 39.46 O HETATM 1697 O HOH 60 5.220 16.723 35.066 1.00 52.55 O HETATM 1698 O HOH 61 14.332 -5.902 9.761 1.00 62.80 O HETATM 1699 O HOH 62 3.953 2.828 36.991 1.00 68.59 O HETATM 1700 O HOH 63 0.930 7.608 40.925 1.00 63.77 O HETATM 1701 O HOH 64 0.376 7.952 38.299 1.00 61.63 O HETATM 1702 O HOH 65 19.699 0.911 19.135 1.00 43.88 O HETATM 1703 O HOH 66 -4.065 10.068 19.697 1.00 41.04 O HETATM 1704 O HOH 67 23.066 5.974 42.476 1.00 66.95 O HETATM 1705 O HOH 68 27.458 8.768 28.112 1.00 75.42 O HETATM 1706 O HOH 69 15.132 4.351 8.218 1.00 36.86 O HETATM 1707 O HOH 70 7.482 -0.991 16.398 1.00 41.97 O HETATM 1708 O HOH 71 26.304 3.425 21.657 1.00 39.64 O HETATM 1709 O HOH 72 16.145 15.383 35.071 1.00 34.13 O HETATM 1710 O HOH 73 -1.486 11.091 35.049 1.00 59.07 O HETATM 1711 O HOH 74 18.612 -2.000 22.572 1.00 41.04 O HETATM 1712 O HOH 75 18.897 -1.379 18.154 1.00 41.63 O HETATM 1713 O HOH 76 26.901 10.775 19.712 1.00 35.86 O HETATM 1714 O HOH 77 26.766 7.985 20.058 1.00 35.81 O HETATM 1715 O HOH 78 27.702 4.033 20.262 1.00 50.64 O HETATM 1716 O HOH 79 9.180 9.007 7.338 1.00 46.94 O HETATM 1717 O HOH 80 6.189 17.406 6.780 1.00 63.15 O HETATM 1718 O HOH 81 23.883 18.544 -8.957 1.00 56.51 O HETATM 1719 O HOH 82 34.217 17.850 19.411 1.00 47.16 O HETATM 1720 O HOH 83 7.317 16.195 5.076 1.00 52.63 O HETATM 1721 O HOH 84 10.461 13.364 5.731 1.00 50.89 O HETATM 1722 O HOH 85 22.603 21.816 -7.935 1.00 65.05 O HETATM 1723 O HOH 86 23.926 5.351 12.039 1.00 19.32 O HETATM 1724 O HOH 87 25.883 11.262 17.265 1.00 40.63 O HETATM 1725 O HOH 88 18.230 3.743 11.172 1.00 34.08 O HETATM 1726 O HOH 89 25.111 16.027 17.188 1.00 51.49 O HETATM 1727 O HOH 90 14.054 19.036 9.718 1.00 44.65 O HETATM 1728 O HOH 91 14.481 11.968 4.992 1.00 21.66 O HETATM 1729 O HOH 92 44.113 12.660 11.113 1.00 28.63 O HETATM 1730 O HOH 93 11.470 17.858 7.769 1.00 42.20 O HETATM 1731 O HOH 94 14.329 11.965 -0.418 1.00 42.84 O HETATM 1732 O HOH 95 35.392 16.165 -1.897 1.00 47.80 O HETATM 1733 O HOH 96 27.174 4.164 17.586 1.00 36.58 O HETATM 1734 O HOH 97 37.221 15.386 -8.025 1.00 53.16 O HETATM 1735 O HOH 98 31.617 9.593 18.612 1.00 39.89 O HETATM 1736 O HOH 99 32.110 21.047 12.336 1.00 57.61 O HETATM 1737 O HOH 100 20.391 25.188 -0.402 1.00 33.64 O HETATM 1738 O HOH 101 18.340 18.313 -2.695 1.00 28.45 O HETATM 1739 O HOH 102 35.270 12.551 8.222 1.00 32.14 O HETATM 1740 O HOH 103 18.042 9.689 13.017 1.00 19.32 O HETATM 1741 O HOH 104 9.763 16.928 7.026 1.00 46.51 O HETATM 1742 O HOH 105 13.254 7.856 5.957 1.00 27.97 O HETATM 1743 O HOH 106 32.763 6.757 14.329 1.00 39.61 O HETATM 1744 O HOH 107 15.387 10.553 13.030 1.00 21.61 O HETATM 1745 O HOH 108 24.868 1.891 19.532 1.00 30.17 O HETATM 1746 O HOH 109 38.695 9.844 7.160 1.00 50.37 O HETATM 1747 O HOH 110 39.180 17.737 8.024 1.00 45.95 O HETATM 1748 O HOH 111 22.441 0.597 20.150 1.00 43.34 O HETATM 1749 O HOH 112 18.821 2.185 6.701 1.00 25.68 O HETATM 1750 O HOH 113 8.236 17.834 1.006 1.00 41.29 O HETATM 1751 O HOH 114 15.802 13.764 13.343 1.00 40.56 O HETATM 1752 O HOH 115 13.478 13.276 2.982 1.00 28.26 O HETATM 1753 O HOH 116 37.218 13.123 -4.689 1.00 47.34 O HETATM 1754 O HOH 117 26.052 -0.569 5.834 1.00 41.70 O HETATM 1755 O HOH 118 28.693 4.875 13.556 1.00 20.48 O HETATM 1756 O HOH 119 15.021 16.476 -1.468 1.00 52.84 O HETATM 1757 O HOH 120 25.642 2.045 6.334 1.00 27.55 O HETATM 1758 O HOH 121 30.907 24.921 -4.941 1.00 45.93 O HETATM 1759 O HOH 122 16.221 6.409 8.317 1.00 25.19 O HETATM 1760 O HOH 123 17.011 15.512 12.375 1.00 31.94 O HETATM 1761 O HOH 124 22.665 -0.812 13.504 1.00 27.20 O HETATM 1762 O HOH 125 17.722 1.131 3.127 1.00 32.42 O HETATM 1763 O HOH 126 25.076 13.120 18.005 1.00 37.74 O HETATM 1764 O HOH 127 23.724 15.861 -7.298 1.00 51.80 O HETATM 1765 O HOH 128 12.379 12.187 7.227 1.00 23.26 O HETATM 1766 O HOH 129 15.248 14.989 0.199 1.00 46.50 O HETATM 1767 O HOH 130 6.896 20.071 8.626 1.00 60.20 O HETATM 1768 O HOH 131 19.873 0.186 8.153 1.00 28.53 O HETATM 1769 O HOH 132 38.377 5.111 8.672 1.00 48.20 O HETATM 1770 O HOH 133 35.139 4.002 9.128 1.00 62.31 O HETATM 1771 O HOH 134 37.133 19.284 8.140 1.00 54.86 O HETATM 1772 O HOH 135 26.389 0.759 14.191 1.00 41.00 O HETATM 1773 O HOH 136 37.483 6.380 19.371 1.00 45.98 O HETATM 1774 O HOH 137 27.910 2.396 12.473 1.00 30.73 O HETATM 1775 O HOH 138 21.492 23.695 -5.602 1.00 43.94 O HETATM 1776 O HOH 139 34.866 3.523 16.228 1.00 41.80 O HETATM 1777 O HOH 140 22.156 0.551 23.064 1.00 36.71 O HETATM 1778 O HOH 141 29.544 3.856 15.875 1.00 30.62 O HETATM 1779 O HOH 142 31.797 5.208 16.485 1.00 46.80 O HETATM 1780 O HOH 143 36.384 1.904 14.456 1.00 42.86 O HETATM 1781 O HOH 144 29.514 10.749 20.549 1.00 44.59 O HETATM 1782 O HOH 145 11.831 9.339 7.601 1.00 26.88 O HETATM 1783 O HOH 146 13.275 7.576 9.468 1.00 36.98 O HETATM 1784 O HOH 147 25.517 -1.359 13.707 1.00 46.78 O HETATM 1785 O HOH 148 30.668 7.276 19.335 1.00 71.66 O HETATM 1786 O HOH 149 30.442 13.173 21.116 1.00 50.56 O HETATM 1787 O HOH 150 29.803 1.246 15.624 1.00 52.25 O HETATM 1788 O HOH 151 2.011 3.691 20.872 1.00 31.08 O HETATM 1789 O HOH 152 8.467 2.017 35.972 1.00 25.63 O HETATM 1790 O HOH 153 7.145 -1.110 21.702 1.00 33.61 O HETATM 1791 O HOH 154 6.560 -0.209 38.798 1.00 60.12 O HETATM 1792 O HOH 155 3.102 1.093 35.299 1.00 70.23 O HETATM 1793 O HOH 156 2.750 -1.841 28.046 1.00 56.33 O HETATM 1794 O HOH 157 3.108 -1.195 32.257 1.00 44.81 O HETATM 1795 O HOH 158 3.052 -0.311 19.768 1.00 59.88 O HETATM 1796 O HOH 159 1.575 -0.208 21.537 1.00 62.89 O HETATM 1797 O HOH 160 0.320 2.671 22.636 1.00 48.40 O HETATM 1798 O HOH 161 30.294 -0.083 -2.177 1.00 64.41 O HETATM 1799 O HOH 162 34.052 4.611 7.145 1.00 37.13 O HETATM 1800 O HOH 163 25.228 -1.861 -1.500 1.00 22.60 O HETATM 1801 O HOH 164 33.012 4.625 -2.968 1.00 45.63 O HETATM 1802 O HOH 165 26.505 0.678 -10.064 1.00 44.13 O HETATM 1803 O HOH 166 28.168 2.335 7.269 1.00 31.88 O HETATM 1804 O HOH 167 30.938 0.621 0.493 1.00 52.84 O HETATM 1805 N PRO A 168 13.740 -6.101 43.387 1.00 0.25 N HETATM 1806 CA PRO A 168 12.974 -4.916 42.991 1.00 0.07 C HETATM 1807 C PRO A 168 12.551 -4.959 41.518 1.00 0.23 C HETATM 1808 O PRO A 168 13.299 -5.466 40.682 1.00 -0.39 O HETATM 1809 N PRO A 168 11.362 -4.441 41.221 1.00 -0.26 N HETATM 1810 CA PRO A 168 10.786 -4.512 39.889 1.00 0.13 C HETATM 1811 C PRO A 168 10.202 -3.165 39.487 1.00 0.20 C HETATM 1812 O PRO A 168 9.654 -2.447 40.323 1.00 -0.39 O HETATM 1813 N PRO A 168 10.353 -2.817 38.213 1.00 -0.26 N HETATM 1814 CA PRO A 168 9.786 -1.609 37.636 1.00 0.14 C HETATM 1815 C PRO A 168 8.895 -1.988 36.458 1.00 0.21 C HETATM 1816 O PRO A 168 9.349 -2.658 35.532 1.00 -0.39 O HETATM 1817 N PRO A 168 7.638 -1.546 36.491 1.00 -0.26 N HETATM 1818 CA PRO A 168 6.751 -1.666 35.338 1.00 0.14 C HETATM 1819 C PRO A 168 7.374 -1.022 34.108 1.00 0.21 C HETATM 1820 O PRO A 168 7.874 0.102 34.147 1.00 -0.39 O HETATM 1821 N PRO A 168 7.289 -1.725 33.002 1.00 -0.26 N HETATM 1822 CA PRO A 168 7.784 -1.250 31.719 1.00 0.13 C HETATM 1823 C PRO A 168 6.602 -1.121 30.777 1.00 0.20 C HETATM 1824 O PRO A 168 5.848 -2.079 30.598 1.00 -0.39 O HETATM 1825 N PRO A 168 6.420 0.074 30.211 1.00 -0.26 N HETATM 1826 CA PRO A 168 5.289 0.386 29.328 1.00 0.16 C HETATM 1827 C PRO A 168 5.782 0.428 27.888 1.00 0.21 C HETATM 1828 O PRO A 168 6.669 1.210 27.560 1.00 -0.39 O HETATM 1829 N PRO A 168 5.191 -0.395 27.028 1.00 -0.26 N HETATM 1830 CA PRO A 168 5.631 -0.540 25.642 1.00 0.15 C HETATM 1831 C PRO A 168 4.788 0.374 24.768 1.00 0.21 C HETATM 1832 O PRO A 168 3.562 0.380 24.882 1.00 -0.39 O HETATM 1833 N PRO A 168 5.437 1.131 23.896 1.00 -0.27 N HETATM 1834 CA PRO A 168 4.745 2.155 23.123 1.00 0.09 C HETATM 1835 C PRO A 168 5.132 2.101 21.674 1.00 0.06 C HETATM 1836 O PRO A 168 6.132 1.470 21.331 1.00 -0.57 O HETATM 1837 OXT PRO A 168 4.471 2.702 20.825 1.00 -0.57 O HETATM 1838 CB PRO A 168 5.062 3.545 23.674 1.00 -0.02 C HETATM 1839 CG PRO A 168 4.638 3.769 25.111 1.00 -0.04 C HETATM 1840 CD1 PRO A 168 5.106 5.140 25.554 1.00 -0.06 C HETATM 1841 H53 PRO A 168 4.802 5.312 26.597 1.00 0.02 H HETATM 1842 H54 PRO A 168 4.654 5.908 24.909 1.00 0.02 H HETATM 1843 H55 PRO A 168 6.202 5.196 25.477 1.00 0.02 H HETATM 1844 CD2 PRO A 168 3.124 3.633 25.258 1.00 -0.06 C HETATM 1845 H56 PRO A 168 2.812 2.630 24.930 1.00 0.02 H HETATM 1846 H57 PRO A 168 2.626 4.393 24.638 1.00 0.02 H HETATM 1847 H58 PRO A 168 2.843 3.778 26.312 1.00 0.02 H HETATM 1848 H52 PRO A 168 5.118 3.009 25.745 1.00 0.03 H HETATM 1849 H50 PRO A 168 4.549 4.288 23.046 1.00 0.03 H HETATM 1850 H51 PRO A 168 6.149 3.699 23.610 1.00 0.03 H HETATM 1851 H49 PRO A 168 3.662 1.979 23.205 1.00 0.07 H HETATM 1852 H48 PRO A 168 6.420 0.998 23.766 1.00 0.19 H HETATM 1853 CB PRO A 168 5.501 -1.994 25.190 1.00 0.08 C HETATM 1854 CG PRO A 168 6.215 -2.959 26.130 1.00 0.18 C HETATM 1855 OD1 PRO A 168 7.383 -2.762 26.467 1.00 -0.40 O HETATM 1856 ND2 PRO A 168 5.502 -3.978 26.587 1.00 -0.30 N HETATM 1857 H46 PRO A 168 5.920 -4.642 27.207 1.00 0.18 H HETATM 1858 H47 PRO A 168 4.546 -4.083 26.312 1.00 0.18 H HETATM 1859 H44 PRO A 168 5.937 -2.092 24.185 1.00 0.06 H HETATM 1860 H45 PRO A 168 4.434 -2.259 25.155 1.00 0.06 H HETATM 1861 H43 PRO A 168 6.686 -0.239 25.565 1.00 0.08 H HETATM 1862 H42 PRO A 168 4.412 -0.938 27.343 1.00 0.19 H HETATM 1863 CB PRO A 168 4.632 1.708 29.700 1.00 0.09 C HETATM 1864 OG1 PRO A 168 4.111 1.638 31.026 1.00 -0.39 O HETATM 1865 H38 PRO A 168 3.703 2.467 31.249 1.00 0.21 H HETATM 1866 CG2 PRO A 168 3.468 2.010 28.760 1.00 -0.03 C HETATM 1867 H39 PRO A 168 3.006 2.967 29.044 1.00 0.03 H HETATM 1868 H40 PRO A 168 2.720 1.207 28.833 1.00 0.03 H HETATM 1869 H41 PRO A 168 3.838 2.074 27.726 1.00 0.03 H HETATM 1870 H37 PRO A 168 5.378 2.514 29.636 1.00 0.06 H HETATM 1871 H36 PRO A 168 4.538 -0.412 29.424 1.00 0.08 H HETATM 1872 H35 PRO A 168 7.088 0.794 30.398 1.00 0.19 H HETATM 1873 CB PRO A 168 8.825 -2.224 31.203 1.00 -0.00 C HETATM 1874 CG PRO A 168 9.460 -1.940 29.917 1.00 0.00 C HETATM 1875 CD PRO A 168 10.630 -2.857 29.676 1.00 0.04 C HETATM 1876 OE1 PRO A 168 11.721 -2.352 29.401 1.00 -0.57 O HETATM 1877 OE2 PRO A 168 10.457 -4.092 29.752 1.00 -0.57 O HETATM 1878 H33 PRO A 168 9.813 -0.898 29.913 1.00 0.04 H HETATM 1879 H34 PRO A 168 8.722 -2.080 29.113 1.00 0.04 H HETATM 1880 H31 PRO A 168 8.338 -3.206 31.116 1.00 0.03 H HETATM 1881 H32 PRO A 168 9.624 -2.277 31.957 1.00 0.03 H HETATM 1882 H30 PRO A 168 8.252 -0.263 31.845 1.00 0.08 H HETATM 1883 H29 PRO A 168 6.864 -2.629 33.044 1.00 0.19 H HETATM 1884 CB PRO A 168 5.402 -1.001 35.605 1.00 0.04 C HETATM 1885 CG PRO A 168 4.545 -1.757 36.607 1.00 0.04 C HETATM 1886 OD1 PRO A 168 4.886 -2.901 36.985 1.00 -0.57 O HETATM 1887 OD2 PRO A 168 3.521 -1.180 37.024 1.00 -0.57 O HETATM 1888 H27 PRO A 168 4.851 -0.935 34.655 1.00 0.05 H HETATM 1889 H28 PRO A 168 5.583 0.011 35.995 1.00 0.05 H HETATM 1890 H26 PRO A 168 6.586 -2.735 35.136 1.00 0.08 H HETATM 1891 H25 PRO A 168 7.293 -1.121 37.328 1.00 0.19 H HETATM 1892 CB PRO A 168 10.893 -0.655 37.160 1.00 0.00 C HETATM 1893 CG PRO A 168 11.768 -0.129 38.217 1.00 -0.04 C HETATM 1894 CD1 PRO A 168 11.639 1.045 38.859 1.00 0.02 C HETATM 1895 NE1 PRO A 168 12.650 1.199 39.791 1.00 -0.29 N HETATM 1896 CE2 PRO A 168 13.470 0.106 39.728 1.00 0.06 C HETATM 1897 CD2 PRO A 168 12.937 -0.758 38.750 1.00 -0.02 C HETATM 1898 CE3 PRO A 168 13.587 -1.962 38.490 1.00 -0.07 C HETATM 1899 CZ3 PRO A 168 14.736 -2.266 39.214 1.00 -0.08 C HETATM 1900 CH2 PRO A 168 15.234 -1.394 40.185 1.00 -0.08 C HETATM 1901 CZ2 PRO A 168 14.622 -0.206 40.457 1.00 -0.04 C HETATM 1902 H22 PRO A 168 15.013 0.470 41.209 1.00 0.05 H HETATM 1903 H24 PRO A 168 16.127 -1.668 40.735 1.00 0.05 H HETATM 1904 H23 PRO A 168 15.255 -3.198 39.021 1.00 0.05 H HETATM 1905 H21 PRO A 168 13.207 -2.647 37.741 1.00 0.05 H HETATM 1906 H20 PRO A 168 12.766 2.002 40.426 1.00 0.22 H HETATM 1907 H19 PRO A 168 10.850 1.772 38.672 1.00 0.08 H HETATM 1908 H17 PRO A 168 10.413 0.199 36.660 1.00 0.04 H HETATM 1909 H18 PRO A 168 11.521 -1.197 36.438 1.00 0.04 H HETATM 1910 H16 PRO A 168 9.180 -1.099 38.399 1.00 0.08 H HETATM 1911 H15 PRO A 168 10.886 -3.419 37.619 1.00 0.19 H HETATM 1912 CB PRO A 168 9.709 -5.569 39.836 1.00 -0.02 C HETATM 1913 H12 PRO A 168 9.284 -5.609 38.822 1.00 0.03 H HETATM 1914 H13 PRO A 168 8.916 -5.321 40.556 1.00 0.03 H HETATM 1915 H14 PRO A 168 10.143 -6.547 40.091 1.00 0.03 H HETATM 1916 H11 PRO A 168 11.580 -4.780 39.177 1.00 0.08 H HETATM 1917 H10 PRO A 168 10.844 -3.984 41.944 1.00 0.19 H HETATM 1918 CB PRO A 168 13.954 -3.756 43.248 1.00 0.01 C HETATM 1919 CG PRO A 168 15.188 -4.369 43.893 1.00 -0.01 C HETATM 1920 CD PRO A 168 14.841 -5.757 44.299 1.00 -0.03 C HETATM 1921 H8 PRO A 168 15.696 -6.435 44.161 1.00 0.08 H HETATM 1922 H9 PRO A 168 14.511 -5.792 45.348 1.00 0.08 H HETATM 1923 H6 PRO A 168 15.480 -3.782 44.776 1.00 0.03 H HETATM 1924 H7 PRO A 168 16.019 -4.386 43.172 1.00 0.03 H HETATM 1925 H4 PRO A 168 13.499 -3.017 43.924 1.00 0.03 H HETATM 1926 H5 PRO A 168 14.223 -3.269 42.299 1.00 0.03 H HETATM 1927 H3 PRO A 168 12.076 -4.813 43.617 1.00 0.11 H HETATM 1928 H1 PRO A 168 14.123 -6.534 42.561 1.00 0.20 H HETATM 1929 H2 PRO A 168 13.123 -6.749 43.850 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 259 260 264 265 266 CONECT 264 259 CONECT 265 259 CONECT 266 259 CONECT 839 840 844 845 846 CONECT 844 839 CONECT 845 839 CONECT 846 839 CONECT 1073 1074 1082 1083 1084 CONECT 1082 1073 CONECT 1083 1073 CONECT 1084 1073 CONECT 1538 1539 1547 1548 1549 CONECT 1547 1538 CONECT 1548 1538 CONECT 1549 1538 CONECT 1805 1806 1920 1928 1929 CONECT 1806 1805 1807 1918 1927 CONECT 1807 1806 1808 1809 CONECT 1808 1807 CONECT 1809 1807 1810 1917 CONECT 1810 1809 1811 1912 1916 CONECT 1811 1810 1812 1813 CONECT 1812 1811 CONECT 1813 1811 1814 1911 CONECT 1814 1813 1815 1892 1910 CONECT 1815 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 1818 1891 CONECT 1818 1817 1819 1884 1890 CONECT 1819 1818 1820 1821 CONECT 1820 1819 CONECT 1821 1819 1822 1883 CONECT 1822 1821 1823 1873 1882 CONECT 1823 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 1826 1872 CONECT 1826 1825 1827 1863 1871 CONECT 1827 1826 1828 1829 CONECT 1828 1827 CONECT 1829 1827 1830 1862 CONECT 1830 1829 1831 1853 1861 CONECT 1831 1830 1832 1833 CONECT 1832 1831 CONECT 1833 1831 1834 1852 CONECT 1834 1833 1835 1838 1851 CONECT 1835 1834 1836 1837 CONECT 1836 1835 CONECT 1837 1835 CONECT 1838 1834 1839 1849 1850 CONECT 1839 1838 1840 1844 1848 CONECT 1840 1839 1841 1842 1843 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1840 CONECT 1844 1839 1845 1846 1847 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1844 CONECT 1848 1839 CONECT 1849 1838 CONECT 1850 1838 CONECT 1851 1834 CONECT 1852 1833 CONECT 1853 1830 1854 1859 1860 CONECT 1854 1853 1855 1856 CONECT 1855 1854 CONECT 1856 1854 1857 1858 CONECT 1857 1856 CONECT 1858 1856 CONECT 1859 1853 CONECT 1860 1853 CONECT 1861 1830 CONECT 1862 1829 CONECT 1863 1826 1864 1866 1870 CONECT 1864 1863 1865 CONECT 1865 1864 CONECT 1866 1863 1867 1868 1869 CONECT 1867 1866 CONECT 1868 1866 CONECT 1869 1866 CONECT 1870 1863 CONECT 1871 1826 CONECT 1872 1825 CONECT 1873 1822 1874 1880 1881 CONECT 1874 1873 1875 1878 1879 CONECT 1875 1874 1876 1877 CONECT 1876 1875 CONECT 1877 1875 CONECT 1878 1874 CONECT 1879 1874 CONECT 1880 1873 CONECT 1881 1873 CONECT 1882 1822 CONECT 1883 1821 CONECT 1884 1818 1885 1888 1889 CONECT 1885 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1884 CONECT 1889 1884 CONECT 1890 1818 CONECT 1891 1817 CONECT 1892 1814 1893 1908 1909 CONECT 1893 1892 1894 1897 CONECT 1894 1893 1895 1907 CONECT 1895 1894 1896 1906 CONECT 1896 1895 1897 1901 CONECT 1897 1893 1896 1898 CONECT 1898 1897 1899 1905 CONECT 1899 1898 1900 1904 CONECT 1900 1899 1901 1903 CONECT 1901 1896 1900 1902 CONECT 1902 1901 CONECT 1903 1900 CONECT 1904 1899 CONECT 1905 1898 CONECT 1906 1895 CONECT 1907 1894 CONECT 1908 1892 CONECT 1909 1892 CONECT 1910 1814 CONECT 1911 1813 CONECT 1912 1810 1913 1914 1915 CONECT 1913 1912 CONECT 1914 1912 CONECT 1915 1912 CONECT 1916 1810 CONECT 1917 1809 CONECT 1918 1806 1919 1925 1926 CONECT 1919 1918 1920 1923 1924 CONECT 1920 1805 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 CONECT 1923 1919 CONECT 1924 1919 CONECT 1925 1918 CONECT 1926 1918 CONECT 1927 1806 CONECT 1928 1805 CONECT 1929 1805 MASTER 0 0 0 0 0 0 0 0 1924 5 145 16 END
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5wou
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8-mer
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PDBbind
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6cdp
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6e86
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6eww
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6fau
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PDBbind
8-mer
6fav
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PDBbind
8-mer
6faw
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PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
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PDBbind
8-mer
6fel
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PDBbind
8-mer
6fi4
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PDBbind
8-mer
6fi5
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PDBbind
8-mer
6fmp
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PDBbind
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PDBbind
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6hpg
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6min
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PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
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PDBbind
8-mer
6r0x
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PDBbind
8-mer
6qk8
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PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
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PDBbind
8-mer
6mtu
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PDBbind
8-mer
6ms1
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PDBbind
8-mer
6mqe
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PDBbind
8-mer
6mqc
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PDBbind
8-mer
6jax
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PDBbind
8-mer
6hmt
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PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
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6dql
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Entry Information
PDB ID
5vwi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Scribble PDZ3
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=14.5uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Biol. Chem. Vol. 292: pp. 20425-20436
Ligand Properties
Formula
C
4
2
H
6
1
N
1
0
O
1
5
Molecular Weight
945.992
Exact Mass
945.432
No. of atoms
128
No. of bonds
130
Polar Surface Area
411.32
LOGP Value
-0.85 (
Computed with XLOGP3
)
0.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 3
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C)CC(=O)O
InChI String
InChI=1S/C42H60N10O15/c1-19(2)14-30(42(66)67)51-39(63)28(16-31(43)54)50-41(65)34(21(4)53)52-37(61)26(11-12-32(55)56)47-40(64)29(17-33(57)58)49-38(62)27(15-22-18-45-24-9-6-5-8-23(22)24)48-35(59)20(3)46-36(60)25-10-7-13-44-25/h5-6,8-9,18-21,25-30,34,44-45,53H,7,10-17H2,1-4H3,(H2,43,54)(H,46,60)(H,47,64)(H,48,59)(H,49,62)(H,50,65)(H,51,63)(H,52,61)(H,55,56)(H,57,58)(H,66,67)/p+1/t20-,21+,25-,26-,27-,28-,29-,30-,34-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q14160
Entrez Gene ID
NCBI Entrez Gene ID:
23513
ASD
Information of known allosteric effects of PDB entries
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