Browse entries in the PDBbind-CN Database
HEADER 5NGZ_COMPLEX COMPND 5NGZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 GLN ARG ALA SER ARG LEU LYS ARG GLU LEU HIS MET LEU SEQRES 2 A 152 ALA THR GLU PRO PRO PRO GLY ILE THR CYS TRP GLN ASP SEQRES 3 A 152 LYS ASP GLN MET ASP ASP LEU ARG ALA GLN ILE LEU GLY SEQRES 4 A 152 GLY ALA ASN THR PRO TYR GLU LYS GLY VAL PHE LYS LEU SEQRES 5 A 152 GLU VAL ILE ILE PRO GLU ARG TYR PRO PHE GLU PRO PRO SEQRES 6 A 152 GLN ILE ARG PHE LEU THR PRO ILE TYR HIS PRO ASN ILE SEQRES 7 A 152 ASP SER ALA GLY ARG ILE CYS LEU ASP VAL LEU LYS LEU SEQRES 8 A 152 PRO PRO LYS GLY ALA TRP ARG PRO SER LEU ASN ILE ALA SEQRES 9 A 152 THR VAL LEU THR SER ILE GLN LEU LEU MET SER GLU PRO SEQRES 10 A 152 ASN PRO ASP ASP PRO LEU MET ALA ASP ILE SER SER GLU SEQRES 11 A 152 PHE LYS TYR ASN LYS PRO ALA PHE LEU LYS ASN ALA ARG SEQRES 12 A 152 GLN TRP THR GLU LYS HIS ALA ARG GLN HET UNN A 201 20 ATOM 1 N GLN A 2 11.247 7.527 34.442 1.00 84.04 N ATOM 2 CA GLN A 2 11.706 8.820 33.832 1.00 87.98 C ATOM 3 C GLN A 2 10.976 9.154 32.527 1.00 79.68 C ATOM 4 O GLN A 2 10.535 10.290 32.338 1.00 76.01 O ATOM 5 CB GLN A 2 13.226 8.804 33.582 1.00 95.16 C ATOM 6 CG GLN A 2 13.792 10.071 32.919 1.00100.38 C ATOM 7 CD GLN A 2 15.295 10.004 32.658 1.00102.86 C ATOM 8 OE1 GLN A 2 15.980 9.077 33.098 1.00 98.58 O ATOM 9 NE2 GLN A 2 15.812 10.992 31.934 1.00 98.97 N ATOM 10 HE22 GLN A 2 15.199 11.755 31.582 1.00 0.00 H ATOM 11 HE21 GLN A 2 16.830 11.002 31.720 1.00 0.00 H ATOM 12 HN3 GLN A 2 11.419 6.749 33.773 1.00 0.00 H ATOM 13 HN2 GLN A 2 10.230 7.586 34.653 1.00 0.00 H ATOM 14 HN1 GLN A 2 11.775 7.353 35.321 1.00 0.00 H ATOM 15 N ARG A 3 10.901 8.175 31.624 1.00 72.60 N ATOM 16 CA ARG A 3 10.236 8.345 30.326 1.00 73.70 C ATOM 17 C ARG A 3 8.733 8.463 30.537 1.00 72.22 C ATOM 18 O ARG A 3 8.131 9.473 30.165 1.00 72.37 O ATOM 19 CB ARG A 3 10.556 7.171 29.393 1.00 71.33 C ATOM 20 CG ARG A 3 9.865 7.196 28.035 1.00 71.06 C ATOM 21 CD ARG A 3 10.408 6.060 27.188 1.00 74.25 C ATOM 22 NE ARG A 3 9.771 5.930 25.875 1.00 75.43 N ATOM 23 CZ ARG A 3 8.677 5.215 25.605 1.00 79.21 C ATOM 24 NH1 ARG A 3 8.025 4.550 26.557 1.00 83.95 N ATOM 25 NH2 ARG A 3 8.215 5.173 24.359 1.00 80.41 N ATOM 26 HE ARG A 3 10.211 6.440 25.083 1.00 0.00 H ATOM 27 HH12 ARG A 3 7.175 4.001 26.318 1.00 0.00 H ATOM 28 HH11 ARG A 3 8.366 4.580 27.539 1.00 0.00 H ATOM 29 HH22 ARG A 3 7.363 4.619 24.139 1.00 0.00 H ATOM 30 HH21 ARG A 3 8.705 5.695 23.605 1.00 0.00 H ATOM 31 H ARG A 3 11.331 7.255 31.848 1.00 0.00 H ATOM 32 N ALA A 4 8.150 7.434 31.154 1.00 70.47 N ATOM 33 CA ALA A 4 6.730 7.426 31.533 1.00 71.31 C ATOM 34 C ALA A 4 6.350 8.696 32.297 1.00 69.56 C ATOM 35 O ALA A 4 5.327 9.320 32.016 1.00 70.71 O ATOM 36 CB ALA A 4 6.412 6.194 32.370 1.00 70.85 C ATOM 37 H ALA A 4 8.727 6.598 31.377 1.00 0.00 H ATOM 38 N SER A 5 7.207 9.088 33.230 1.00 66.66 N ATOM 39 CA SER A 5 6.991 10.276 34.050 1.00 65.53 C ATOM 40 C SER A 5 6.945 11.561 33.226 1.00 63.24 C ATOM 41 O SER A 5 6.118 12.439 33.478 1.00 60.97 O ATOM 42 CB SER A 5 8.099 10.369 35.100 1.00 69.05 C ATOM 43 OG SER A 5 7.805 11.363 36.057 1.00 77.33 O ATOM 44 HG SER A 5 8.535 11.404 36.724 1.00 0.00 H ATOM 45 H SER A 5 8.068 8.526 33.384 1.00 0.00 H ATOM 46 N ARG A 6 7.840 11.664 32.247 1.00 61.48 N ATOM 47 CA ARG A 6 7.898 12.833 31.361 1.00 60.75 C ATOM 48 C ARG A 6 6.704 12.899 30.395 1.00 53.56 C ATOM 49 O ARG A 6 6.190 13.982 30.126 1.00 48.77 O ATOM 50 CB ARG A 6 9.205 12.839 30.550 1.00 62.21 C ATOM 51 CG ARG A 6 9.502 14.174 29.873 1.00 63.26 C ATOM 52 CD ARG A 6 10.279 13.991 28.588 1.00 68.80 C ATOM 53 NE ARG A 6 10.241 15.197 27.750 1.00 72.75 N ATOM 54 CZ ARG A 6 11.234 16.073 27.576 1.00 71.12 C ATOM 55 NH1 ARG A 6 12.414 15.927 28.177 1.00 69.80 N ATOM 56 NH2 ARG A 6 11.041 17.121 26.780 1.00 70.14 N ATOM 57 HE ARG A 6 9.354 15.387 27.242 1.00 0.00 H ATOM 58 HH12 ARG A 6 13.167 16.627 28.021 1.00 0.00 H ATOM 59 HH11 ARG A 6 12.582 15.113 28.802 1.00 0.00 H ATOM 60 HH22 ARG A 6 11.805 17.811 26.635 1.00 0.00 H ATOM 61 HH21 ARG A 6 10.126 17.250 26.303 1.00 0.00 H ATOM 62 H ARG A 6 8.521 10.891 32.105 1.00 0.00 H ATOM 63 N LEU A 7 6.304 11.754 29.849 1.00 49.58 N ATOM 64 CA LEU A 7 5.136 11.688 28.963 1.00 53.10 C ATOM 65 C LEU A 7 3.820 12.147 29.628 1.00 54.34 C ATOM 66 O LEU A 7 2.996 12.793 28.973 1.00 54.79 O ATOM 67 CB LEU A 7 4.974 10.277 28.378 1.00 54.70 C ATOM 68 CG LEU A 7 6.015 9.843 27.339 1.00 56.85 C ATOM 69 CD1 LEU A 7 5.649 8.490 26.752 1.00 53.55 C ATOM 70 CD2 LEU A 7 6.160 10.883 26.231 1.00 59.32 C ATOM 71 H LEU A 7 6.833 10.883 30.055 1.00 0.00 H ATOM 72 N LYS A 8 3.641 11.828 30.910 1.00 50.28 N ATOM 73 CA LYS A 8 2.486 12.299 31.669 1.00 50.74 C ATOM 74 C LYS A 8 2.461 13.809 31.800 1.00 51.61 C ATOM 75 O LYS A 8 1.412 14.433 31.662 1.00 51.01 O ATOM 76 CB LYS A 8 2.461 11.670 33.057 1.00 53.61 C ATOM 77 CG LYS A 8 2.163 10.183 33.027 1.00 55.46 C ATOM 78 CD LYS A 8 2.222 9.598 34.424 1.00 60.98 C ATOM 79 CE LYS A 8 2.113 8.084 34.379 1.00 63.62 C ATOM 80 NZ LYS A 8 2.218 7.522 35.754 1.00 67.66 N ATOM 81 HZ1 LYS A 8 3.135 7.787 36.166 1.00 0.00 H ATOM 82 HZ2 LYS A 8 1.450 7.903 36.342 1.00 0.00 H ATOM 83 HZ3 LYS A 8 2.142 6.486 35.710 1.00 0.00 H ATOM 84 H LYS A 8 4.345 11.226 31.383 1.00 0.00 H ATOM 85 N ARG A 9 3.618 14.400 32.066 1.00 54.20 N ATOM 86 CA ARG A 9 3.733 15.854 32.158 1.00 60.09 C ATOM 87 C ARG A 9 3.337 16.497 30.811 1.00 57.19 C ATOM 88 O ARG A 9 2.591 17.475 30.778 1.00 50.34 O ATOM 89 CB ARG A 9 5.164 16.222 32.581 1.00 71.03 C ATOM 90 CG ARG A 9 5.415 17.673 32.981 1.00 80.94 C ATOM 91 CD ARG A 9 6.910 18.002 32.871 1.00 90.19 C ATOM 92 NE ARG A 9 7.305 18.334 31.487 1.00 96.62 N ATOM 93 CZ ARG A 9 8.496 18.096 30.917 1.00 98.41 C ATOM 94 NH1 ARG A 9 9.483 17.488 31.580 1.00101.41 N ATOM 95 NH2 ARG A 9 8.703 18.461 29.646 1.00 92.47 N ATOM 96 HE ARG A 9 6.588 18.799 30.895 1.00 0.00 H ATOM 97 HH12 ARG A 9 10.396 17.317 31.112 1.00 0.00 H ATOM 98 HH11 ARG A 9 9.339 17.186 32.565 1.00 0.00 H ATOM 99 HH22 ARG A 9 9.623 18.280 29.196 1.00 0.00 H ATOM 100 HH21 ARG A 9 7.944 18.925 29.108 1.00 0.00 H ATOM 101 H ARG A 9 4.465 13.814 32.213 1.00 0.00 H ATOM 102 N GLU A 10 3.800 15.900 29.708 1.00 54.96 N ATOM 103 CA GLU A 10 3.548 16.427 28.366 1.00 54.73 C ATOM 104 C GLU A 10 2.081 16.273 27.960 1.00 50.84 C ATOM 105 O GLU A 10 1.459 17.237 27.524 1.00 47.19 O ATOM 106 CB GLU A 10 4.456 15.757 27.323 1.00 57.51 C ATOM 107 CG GLU A 10 5.951 16.056 27.498 1.00 58.78 C ATOM 108 CD GLU A 10 6.752 16.010 26.202 1.00 57.62 C ATOM 109 OE1 GLU A 10 6.196 16.339 25.135 1.00 56.62 O ATOM 110 OE2 GLU A 10 7.952 15.657 26.245 1.00 57.39 O ATOM 111 H GLU A 10 4.360 15.029 29.807 1.00 0.00 H ATOM 112 N LEU A 11 1.535 15.071 28.107 1.00 48.51 N ATOM 113 CA LEU A 11 0.109 14.849 27.828 1.00 53.01 C ATOM 114 C LEU A 11 -0.803 15.823 28.590 1.00 50.44 C ATOM 115 O LEU A 11 -1.696 16.415 27.990 1.00 46.76 O ATOM 116 CB LEU A 11 -0.304 13.406 28.121 1.00 55.12 C ATOM 117 CG LEU A 11 0.275 12.359 27.169 1.00 58.45 C ATOM 118 CD1 LEU A 11 -0.103 10.975 27.657 1.00 60.94 C ATOM 119 CD2 LEU A 11 -0.183 12.570 25.735 1.00 60.44 C ATOM 120 H LEU A 11 2.125 14.275 28.424 1.00 0.00 H ATOM 121 N HIS A 12 -0.530 16.025 29.877 1.00 47.71 N ATOM 122 CA HIS A 12 -1.256 16.997 30.669 1.00 48.18 C ATOM 123 C HIS A 12 -1.241 18.377 30.050 1.00 49.16 C ATOM 124 O HIS A 12 -2.285 19.023 29.972 1.00 50.12 O ATOM 125 CB HIS A 12 -0.716 17.092 32.105 1.00 51.74 C ATOM 126 CG HIS A 12 -1.407 18.139 32.918 1.00 55.10 C ATOM 127 ND1 HIS A 12 -2.600 17.905 33.568 1.00 57.22 N ATOM 128 CD2 HIS A 12 -1.119 19.449 33.116 1.00 58.65 C ATOM 129 CE1 HIS A 12 -3.001 19.017 34.158 1.00 58.79 C ATOM 130 NE2 HIS A 12 -2.122 19.969 33.898 1.00 59.24 N ATOM 131 H HIS A 12 0.226 15.470 30.327 1.00 0.00 H ATOM 132 N MET A 13 -0.061 18.830 29.636 1.00 51.01 N ATOM 133 CA MET A 13 0.113 20.167 29.051 1.00 55.33 C ATOM 134 C MET A 13 -0.596 20.313 27.718 1.00 51.60 C ATOM 135 O MET A 13 -1.120 21.387 27.406 1.00 52.73 O ATOM 136 CB MET A 13 1.606 20.493 28.829 1.00 63.64 C ATOM 137 CG MET A 13 2.452 20.610 30.094 1.00 71.01 C ATOM 138 SD MET A 13 1.960 21.963 31.175 1.00 76.60 S ATOM 139 CE MET A 13 2.377 23.395 30.174 1.00 76.93 C ATOM 140 H MET A 13 0.771 18.214 29.730 1.00 0.00 H ATOM 141 N LEU A 14 -0.564 19.256 26.917 1.00 49.72 N ATOM 142 CA LEU A 14 -1.249 19.249 25.624 1.00 55.29 C ATOM 143 C LEU A 14 -2.776 19.251 25.782 1.00 57.45 C ATOM 144 O LEU A 14 -3.471 19.886 24.998 1.00 57.85 O ATOM 145 CB LEU A 14 -0.803 18.050 24.771 1.00 55.08 C ATOM 146 CG LEU A 14 0.658 18.116 24.296 1.00 56.19 C ATOM 147 CD1 LEU A 14 1.146 16.740 23.852 1.00 55.89 C ATOM 148 CD2 LEU A 14 0.833 19.140 23.181 1.00 55.44 C ATOM 149 H LEU A 14 -0.038 18.410 27.216 1.00 0.00 H ATOM 150 N ALA A 15 -3.278 18.548 26.795 1.00 56.55 N ATOM 151 CA ALA A 15 -4.704 18.542 27.103 1.00 58.26 C ATOM 152 C ALA A 15 -5.206 19.889 27.614 1.00 60.99 C ATOM 153 O ALA A 15 -6.300 20.305 27.238 1.00 66.52 O ATOM 154 CB ALA A 15 -5.027 17.445 28.105 1.00 57.64 C ATOM 155 H ALA A 15 -2.633 17.985 27.386 1.00 0.00 H ATOM 156 N THR A 16 -4.407 20.579 28.431 1.00 62.43 N ATOM 157 CA THR A 16 -4.863 21.778 29.162 1.00 64.70 C ATOM 158 C THR A 16 -4.429 23.121 28.566 1.00 68.09 C ATOM 159 O THR A 16 -5.213 24.071 28.558 1.00 69.50 O ATOM 160 CB THR A 16 -4.411 21.722 30.638 1.00 64.75 C ATOM 161 OG1 THR A 16 -2.976 21.654 30.714 1.00 71.24 O ATOM 162 CG2 THR A 16 -5.016 20.503 31.328 1.00 62.26 C ATOM 163 HG1 THR A 16 -2.698 21.619 31.664 1.00 0.00 H ATOM 164 H THR A 16 -3.425 20.260 28.557 1.00 0.00 H ATOM 165 N GLU A 17 -3.184 23.201 28.093 1.00 71.40 N ATOM 166 CA GLU A 17 -2.645 24.408 27.448 1.00 74.79 C ATOM 167 C GLU A 17 -2.051 24.096 26.067 1.00 70.69 C ATOM 168 O GLU A 17 -0.881 24.380 25.829 1.00 64.06 O ATOM 169 CB GLU A 17 -1.544 25.031 28.316 1.00 80.25 C ATOM 170 CG GLU A 17 -2.004 25.761 29.563 1.00 87.51 C ATOM 171 CD GLU A 17 -0.834 26.313 30.377 1.00 95.67 C ATOM 172 OE1 GLU A 17 0.342 25.988 30.070 1.00 96.57 O ATOM 173 OE2 GLU A 17 -1.087 27.075 31.339 1.00100.01 O ATOM 174 H GLU A 17 -2.565 22.370 28.185 1.00 0.00 H ATOM 175 N PRO A 18 -2.851 23.523 25.143 1.00 70.50 N ATOM 176 CA PRO A 18 -2.293 23.259 23.812 1.00 65.43 C ATOM 177 C PRO A 18 -1.942 24.548 23.070 1.00 67.24 C ATOM 178 O PRO A 18 -2.565 25.576 23.325 1.00 70.44 O ATOM 179 CB PRO A 18 -3.424 22.533 23.088 1.00 65.65 C ATOM 180 CG PRO A 18 -4.669 22.923 23.804 1.00 68.05 C ATOM 181 CD PRO A 18 -4.277 23.155 25.230 1.00 68.88 C ATOM 182 N PRO A 19 -0.953 24.505 22.156 1.00 67.74 N ATOM 183 CA PRO A 19 -0.679 25.715 21.376 1.00 61.97 C ATOM 184 C PRO A 19 -1.845 26.100 20.454 1.00 60.31 C ATOM 185 O PRO A 19 -2.637 25.234 20.066 1.00 59.27 O ATOM 186 CB PRO A 19 0.563 25.341 20.557 1.00 65.08 C ATOM 187 CG PRO A 19 1.164 24.167 21.255 1.00 65.31 C ATOM 188 CD PRO A 19 0.006 23.427 21.848 1.00 66.37 C ATOM 189 N PRO A 20 -1.972 27.396 20.117 1.00 60.50 N ATOM 190 CA PRO A 20 -3.077 27.796 19.236 1.00 61.70 C ATOM 191 C PRO A 20 -3.069 27.035 17.906 1.00 60.62 C ATOM 192 O PRO A 20 -2.042 27.006 17.225 1.00 64.39 O ATOM 193 CB PRO A 20 -2.826 29.298 19.005 1.00 61.02 C ATOM 194 CG PRO A 20 -2.035 29.737 20.191 1.00 63.50 C ATOM 195 CD PRO A 20 -1.191 28.557 20.589 1.00 62.02 C ATOM 196 N GLY A 21 -4.190 26.407 17.575 1.00 56.44 N ATOM 197 CA GLY A 21 -4.340 25.659 16.332 1.00 56.52 C ATOM 198 C GLY A 21 -3.988 24.182 16.408 1.00 55.97 C ATOM 199 O GLY A 21 -4.231 23.438 15.453 1.00 59.11 O ATOM 200 H GLY A 21 -4.996 26.450 18.230 1.00 0.00 H ATOM 201 N ILE A 22 -3.460 23.738 17.543 1.00 51.38 N ATOM 202 CA ILE A 22 -2.879 22.411 17.644 1.00 50.53 C ATOM 203 C ILE A 22 -3.562 21.597 18.728 1.00 47.81 C ATOM 204 O ILE A 22 -3.801 22.099 19.816 1.00 50.12 O ATOM 205 CB ILE A 22 -1.346 22.495 17.917 1.00 48.39 C ATOM 206 CG1 ILE A 22 -0.638 22.975 16.649 1.00 50.04 C ATOM 207 CG2 ILE A 22 -0.786 21.135 18.360 1.00 47.48 C ATOM 208 CD1 ILE A 22 0.802 23.415 16.839 1.00 50.27 C ATOM 209 H ILE A 22 -3.463 24.356 18.380 1.00 0.00 H ATOM 210 N THR A 23 -3.803 20.325 18.421 1.00 47.35 N ATOM 211 CA THR A 23 -4.404 19.365 19.335 1.00 51.23 C ATOM 212 C THR A 23 -3.605 18.068 19.279 1.00 47.12 C ATOM 213 O THR A 23 -3.168 17.691 18.207 1.00 49.24 O ATOM 214 CB THR A 23 -5.841 19.023 18.882 1.00 57.16 C ATOM 215 OG1 THR A 23 -6.556 20.225 18.574 1.00 59.15 O ATOM 216 CG2 THR A 23 -6.576 18.278 19.951 1.00 58.93 C ATOM 217 HG1 THR A 23 -7.475 19.996 18.285 1.00 0.00 H ATOM 218 H THR A 23 -3.546 19.996 17.468 1.00 0.00 H ATOM 219 N CYS A 24 -3.458 17.378 20.409 1.00 45.61 N ATOM 220 CA CYS A 24 -2.765 16.077 20.460 1.00 45.62 C ATOM 221 C CYS A 24 -3.353 15.184 21.553 1.00 44.00 C ATOM 222 O CYS A 24 -3.692 15.691 22.616 1.00 44.17 O ATOM 223 CB CYS A 24 -1.257 16.302 20.720 1.00 48.78 C ATOM 224 SG CYS A 24 -0.262 14.792 20.675 1.00 50.59 S ATOM 225 H CYS A 24 -3.847 17.772 21.289 1.00 0.00 H ATOM 226 N TRP A 25 -3.451 13.867 21.314 1.00 41.85 N ATOM 227 CA TRP A 25 -4.201 12.973 22.209 1.00 42.05 C ATOM 228 C TRP A 25 -3.846 11.481 22.040 1.00 45.09 C ATOM 229 O TRP A 25 -3.367 11.077 20.986 1.00 46.34 O ATOM 230 CB TRP A 25 -5.732 13.171 21.964 1.00 41.47 C ATOM 231 CG TRP A 25 -6.204 12.582 20.653 1.00 40.73 C ATOM 232 CD1 TRP A 25 -6.602 11.284 20.435 1.00 41.50 C ATOM 233 CD2 TRP A 25 -6.257 13.236 19.373 1.00 37.88 C ATOM 234 NE1 TRP A 25 -6.926 11.105 19.102 1.00 44.33 N ATOM 235 CE2 TRP A 25 -6.721 12.286 18.434 1.00 40.34 C ATOM 236 CE3 TRP A 25 -5.967 14.533 18.932 1.00 39.06 C ATOM 237 CZ2 TRP A 25 -6.889 12.590 17.086 1.00 41.40 C ATOM 238 CZ3 TRP A 25 -6.145 14.841 17.598 1.00 39.01 C ATOM 239 CH2 TRP A 25 -6.605 13.873 16.684 1.00 39.73 C ATOM 240 HE1 TRP A 25 -7.269 10.220 18.676 1.00 0.00 H ATOM 241 H TRP A 25 -2.985 13.468 20.474 1.00 0.00 H ATOM 242 N GLN A 26 -4.136 10.677 23.067 1.00 49.17 N ATOM 243 CA GLN A 26 -3.961 9.211 23.036 1.00 57.93 C ATOM 244 C GLN A 26 -5.048 8.504 22.232 1.00 67.05 C ATOM 245 O GLN A 26 -6.240 8.639 22.522 1.00 75.20 O ATOM 246 CB GLN A 26 -3.987 8.597 24.443 1.00 57.84 C ATOM 247 CG GLN A 26 -2.767 8.882 25.293 1.00 57.38 C ATOM 248 CD GLN A 26 -2.822 8.189 26.641 1.00 57.42 C ATOM 249 OE1 GLN A 26 -2.839 8.840 27.677 1.00 60.74 O ATOM 250 NE2 GLN A 26 -2.844 6.858 26.633 1.00 61.93 N ATOM 251 HE22 GLN A 26 -2.828 6.343 25.730 1.00 0.00 H ATOM 252 HE21 GLN A 26 -2.877 6.333 27.530 1.00 0.00 H ATOM 253 H GLN A 26 -4.506 11.108 23.938 1.00 0.00 H ATOM 254 N ASP A 27 -4.611 7.716 21.257 1.00 75.40 N ATOM 255 CA ASP A 27 -5.477 6.885 20.431 1.00 79.59 C ATOM 256 C ASP A 27 -6.117 5.760 21.262 1.00 79.07 C ATOM 257 O ASP A 27 -7.307 5.507 21.152 1.00 82.79 O ATOM 258 CB ASP A 27 -4.634 6.293 19.281 1.00 82.69 C ATOM 259 CG ASP A 27 -5.467 5.860 18.090 1.00 89.52 C ATOM 260 OD1 ASP A 27 -6.141 6.725 17.493 1.00 91.25 O ATOM 261 OD2 ASP A 27 -5.426 4.661 17.729 1.00 93.80 O ATOM 262 H ASP A 27 -3.588 7.690 21.071 1.00 0.00 H ATOM 263 N LYS A 28 -5.308 5.110 22.101 1.00 86.46 N ATOM 264 CA LYS A 28 -5.663 3.864 22.789 1.00 92.83 C ATOM 265 C LYS A 28 -5.364 4.017 24.299 1.00 94.11 C ATOM 266 O LYS A 28 -5.681 5.060 24.878 1.00 92.18 O ATOM 267 CB LYS A 28 -4.868 2.701 22.163 1.00 97.57 C ATOM 268 CG LYS A 28 -4.923 2.607 20.641 1.00102.64 C ATOM 269 CD LYS A 28 -3.624 2.086 20.044 1.00102.35 C ATOM 270 CE LYS A 28 -3.670 2.146 18.526 1.00103.55 C ATOM 271 NZ LYS A 28 -2.751 1.168 17.887 1.00105.99 N ATOM 272 HZ1 LYS A 28 -1.775 1.366 18.185 1.00 0.00 H ATOM 273 HZ2 LYS A 28 -3.015 0.205 18.177 1.00 0.00 H ATOM 274 HZ3 LYS A 28 -2.822 1.252 16.853 1.00 0.00 H ATOM 275 H LYS A 28 -4.366 5.513 22.278 1.00 0.00 H ATOM 276 N ASP A 29 -4.797 2.977 24.930 1.00 93.90 N ATOM 277 CA ASP A 29 -4.320 3.008 26.317 1.00 96.80 C ATOM 278 C ASP A 29 -2.792 2.809 26.333 1.00 98.06 C ATOM 279 O ASP A 29 -2.263 1.875 26.952 1.00 98.32 O ATOM 280 CB ASP A 29 -5.038 1.914 27.134 1.00 99.58 C ATOM 281 CG ASP A 29 -4.622 1.885 28.613 1.00102.87 C ATOM 282 OD1 ASP A 29 -4.159 2.916 29.149 1.00107.97 O ATOM 283 OD2 ASP A 29 -4.757 0.812 29.239 1.00102.08 O ATOM 284 H ASP A 29 -4.688 2.089 24.400 1.00 0.00 H ATOM 285 N GLN A 30 -2.093 3.681 25.615 1.00 93.76 N ATOM 286 CA GLN A 30 -0.629 3.740 25.660 1.00 89.03 C ATOM 287 C GLN A 30 -0.173 5.175 25.377 1.00 82.83 C ATOM 288 O GLN A 30 -0.751 5.861 24.534 1.00 77.08 O ATOM 289 CB GLN A 30 0.007 2.731 24.686 1.00 90.19 C ATOM 290 CG GLN A 30 -0.523 2.778 23.253 1.00 94.61 C ATOM 291 CD GLN A 30 0.269 1.914 22.266 1.00 95.80 C ATOM 292 OE1 GLN A 30 -0.304 1.087 21.552 1.00 93.23 O ATOM 293 NE2 GLN A 30 1.585 2.119 22.207 1.00 94.82 N ATOM 294 HE22 GLN A 30 2.029 2.826 22.827 1.00 0.00 H ATOM 295 HE21 GLN A 30 2.167 1.572 21.541 1.00 0.00 H ATOM 296 H GLN A 30 -2.603 4.346 24.999 1.00 0.00 H ATOM 297 N MET A 31 0.848 5.631 26.100 1.00 77.20 N ATOM 298 CA MET A 31 1.313 7.015 25.985 1.00 74.70 C ATOM 299 C MET A 31 2.285 7.262 24.823 1.00 69.15 C ATOM 300 O MET A 31 2.657 8.407 24.585 1.00 66.33 O ATOM 301 CB MET A 31 1.946 7.481 27.306 1.00 77.91 C ATOM 302 CG MET A 31 0.963 7.586 28.464 1.00 78.25 C ATOM 303 SD MET A 31 1.617 8.502 29.881 1.00 81.87 S ATOM 304 CE MET A 31 2.664 7.266 30.645 1.00 79.90 C ATOM 305 H MET A 31 1.327 4.988 26.763 1.00 0.00 H ATOM 306 N ASP A 32 2.669 6.219 24.088 1.00 66.90 N ATOM 307 CA ASP A 32 3.666 6.342 23.005 1.00 73.35 C ATOM 308 C ASP A 32 3.120 6.105 21.571 1.00 73.59 C ATOM 309 O ASP A 32 3.902 5.970 20.620 1.00 72.34 O ATOM 310 CB ASP A 32 4.904 5.463 23.307 1.00 74.50 C ATOM 311 CG ASP A 32 4.566 4.002 23.597 1.00 76.46 C ATOM 312 OD1 ASP A 32 3.368 3.624 23.658 1.00 74.47 O ATOM 313 OD2 ASP A 32 5.528 3.227 23.775 1.00 79.17 O ATOM 314 H ASP A 32 2.252 5.286 24.284 1.00 0.00 H ATOM 315 N ASP A 33 1.790 6.076 21.433 1.00 74.90 N ATOM 316 CA ASP A 33 1.101 5.965 20.140 1.00 73.49 C ATOM 317 C ASP A 33 0.009 7.031 20.126 1.00 65.57 C ATOM 318 O ASP A 33 -1.110 6.808 20.579 1.00 64.98 O ATOM 319 CB ASP A 33 0.511 4.563 19.948 1.00 81.22 C ATOM 320 CG ASP A 33 0.048 4.308 18.516 1.00 91.72 C ATOM 321 OD1 ASP A 33 0.901 3.943 17.673 1.00 93.67 O ATOM 322 OD2 ASP A 33 -1.166 4.455 18.240 1.00 94.21 O ATOM 323 H ASP A 33 1.208 6.136 22.293 1.00 0.00 H ATOM 324 N LEU A 34 0.364 8.204 19.623 1.00 57.45 N ATOM 325 CA LEU A 34 -0.469 9.383 19.736 1.00 51.88 C ATOM 326 C LEU A 34 -0.925 9.834 18.370 1.00 50.55 C ATOM 327 O LEU A 34 -0.477 9.307 17.335 1.00 47.65 O ATOM 328 CB LEU A 34 0.312 10.501 20.413 1.00 51.65 C ATOM 329 CG LEU A 34 0.966 10.140 21.748 1.00 52.57 C ATOM 330 CD1 LEU A 34 1.979 11.194 22.169 1.00 49.90 C ATOM 331 CD2 LEU A 34 -0.095 9.935 22.823 1.00 50.63 C ATOM 332 H LEU A 34 1.276 8.281 19.128 1.00 0.00 H ATOM 333 N ARG A 35 -1.836 10.801 18.387 1.00 46.02 N ATOM 334 CA ARG A 35 -2.341 11.438 17.191 1.00 49.57 C ATOM 335 C ARG A 35 -2.393 12.917 17.443 1.00 47.00 C ATOM 336 O ARG A 35 -2.517 13.356 18.581 1.00 47.86 O ATOM 337 CB ARG A 35 -3.757 10.948 16.855 1.00 51.91 C ATOM 338 CG ARG A 35 -3.861 9.483 16.477 1.00 55.20 C ATOM 339 CD ARG A 35 -3.222 9.183 15.130 1.00 60.86 C ATOM 340 NE ARG A 35 -3.372 7.770 14.770 1.00 65.97 N ATOM 341 CZ ARG A 35 -2.633 6.756 15.235 1.00 72.40 C ATOM 342 NH1 ARG A 35 -1.632 6.946 16.105 1.00 75.79 N ATOM 343 NH2 ARG A 35 -2.899 5.520 14.819 1.00 75.69 N ATOM 344 HE ARG A 35 -4.123 7.534 14.090 1.00 0.00 H ATOM 345 HH12 ARG A 35 -1.078 6.134 16.446 1.00 0.00 H ATOM 346 HH11 ARG A 35 -1.409 7.905 16.440 1.00 0.00 H ATOM 347 HH22 ARG A 35 -2.334 4.720 15.170 1.00 0.00 H ATOM 348 HH21 ARG A 35 -3.671 5.354 14.143 1.00 0.00 H ATOM 349 H ARG A 35 -2.205 11.116 19.307 1.00 0.00 H ATOM 350 N ALA A 36 -2.337 13.688 16.370 1.00 46.02 N ATOM 351 CA ALA A 36 -2.462 15.128 16.486 1.00 45.44 C ATOM 352 C ALA A 36 -3.241 15.732 15.329 1.00 42.71 C ATOM 353 O ALA A 36 -3.559 15.058 14.341 1.00 40.40 O ATOM 354 CB ALA A 36 -1.071 15.752 16.579 1.00 44.50 C ATOM 355 H ALA A 36 -2.202 13.257 15.433 1.00 0.00 H ATOM 356 N GLN A 37 -3.504 17.027 15.450 1.00 41.13 N ATOM 357 CA GLN A 37 -4.241 17.745 14.447 1.00 45.45 C ATOM 358 C GLN A 37 -3.762 19.177 14.419 1.00 45.73 C ATOM 359 O GLN A 37 -3.601 19.795 15.472 1.00 46.27 O ATOM 360 CB GLN A 37 -5.738 17.640 14.781 1.00 51.42 C ATOM 361 CG GLN A 37 -6.647 18.647 14.105 1.00 54.09 C ATOM 362 CD GLN A 37 -8.124 18.371 14.390 1.00 56.34 C ATOM 363 OE1 GLN A 37 -8.615 17.238 14.249 1.00 52.46 O ATOM 364 NE2 GLN A 37 -8.835 19.406 14.785 1.00 57.53 N ATOM 365 HE22 GLN A 37 -8.384 20.337 14.890 1.00 0.00 H ATOM 366 HE21 GLN A 37 -9.848 19.293 14.992 1.00 0.00 H ATOM 367 H GLN A 37 -3.168 17.535 16.293 1.00 0.00 H ATOM 368 N ILE A 38 -3.511 19.678 13.212 1.00 47.79 N ATOM 369 CA ILE A 38 -3.082 21.049 12.992 1.00 52.28 C ATOM 370 C ILE A 38 -4.055 21.667 12.011 1.00 56.35 C ATOM 371 O ILE A 38 -4.353 21.069 10.970 1.00 55.66 O ATOM 372 CB ILE A 38 -1.655 21.144 12.400 1.00 53.96 C ATOM 373 CG1 ILE A 38 -0.648 20.393 13.280 1.00 54.03 C ATOM 374 CG2 ILE A 38 -1.238 22.606 12.265 1.00 54.73 C ATOM 375 CD1 ILE A 38 0.788 20.486 12.804 1.00 53.47 C ATOM 376 H ILE A 38 -3.628 19.058 12.385 1.00 0.00 H ATOM 377 N LEU A 39 -4.530 22.862 12.356 1.00 61.69 N ATOM 378 CA LEU A 39 -5.458 23.614 11.530 1.00 68.50 C ATOM 379 C LEU A 39 -4.657 24.488 10.591 1.00 66.03 C ATOM 380 O LEU A 39 -3.736 25.180 11.029 1.00 64.83 O ATOM 381 CB LEU A 39 -6.355 24.516 12.394 1.00 72.16 C ATOM 382 CG LEU A 39 -7.197 23.886 13.511 1.00 74.63 C ATOM 383 CD1 LEU A 39 -8.173 24.924 14.054 1.00 74.95 C ATOM 384 CD2 LEU A 39 -7.933 22.637 13.043 1.00 74.64 C ATOM 385 H LEU A 39 -4.222 23.276 13.259 1.00 0.00 H ATOM 386 N GLY A 40 -5.023 24.471 9.311 1.00 67.31 N ATOM 387 CA GLY A 40 -4.377 25.316 8.309 1.00 69.48 C ATOM 388 C GLY A 40 -4.447 26.781 8.684 1.00 69.59 C ATOM 389 O GLY A 40 -5.511 27.275 9.043 1.00 72.55 O ATOM 390 H GLY A 40 -5.792 23.837 9.015 1.00 0.00 H ATOM 391 N GLY A 41 -3.310 27.466 8.616 1.00 75.12 N ATOM 392 CA GLY A 41 -3.223 28.864 9.020 1.00 79.70 C ATOM 393 C GLY A 41 -3.913 29.812 8.059 1.00 84.24 C ATOM 394 O GLY A 41 -4.238 29.440 6.926 1.00 79.27 O ATOM 395 H GLY A 41 -2.455 26.990 8.263 1.00 0.00 H ATOM 396 N ALA A 42 -4.148 31.034 8.536 1.00 92.10 N ATOM 397 CA ALA A 42 -4.641 32.136 7.706 1.00 94.76 C ATOM 398 C ALA A 42 -3.460 32.830 7.026 1.00 95.76 C ATOM 399 O ALA A 42 -2.348 32.856 7.573 1.00 94.30 O ATOM 400 CB ALA A 42 -5.431 33.126 8.548 1.00 97.34 C ATOM 401 H ALA A 42 -3.973 31.214 9.545 1.00 0.00 H ATOM 402 N ASN A 43 -3.721 33.398 5.846 1.00 94.34 N ATOM 403 CA ASN A 43 -2.676 33.845 4.904 1.00 97.64 C ATOM 404 C ASN A 43 -1.775 32.696 4.421 1.00 90.35 C ATOM 405 O ASN A 43 -0.571 32.880 4.206 1.00 88.98 O ATOM 406 CB ASN A 43 -1.825 34.994 5.483 1.00102.49 C ATOM 407 CG ASN A 43 -2.661 36.176 5.934 1.00104.92 C ATOM 408 OD1 ASN A 43 -3.778 36.382 5.456 1.00104.11 O ATOM 409 ND2 ASN A 43 -2.120 36.966 6.858 1.00106.95 N ATOM 410 HD22 ASN A 43 -1.174 36.754 7.234 1.00 0.00 H ATOM 411 HD21 ASN A 43 -2.643 37.795 7.204 1.00 0.00 H ATOM 412 H ASN A 43 -4.716 33.533 5.576 1.00 0.00 H ATOM 413 N THR A 44 -2.375 31.513 4.277 1.00 82.57 N ATOM 414 CA THR A 44 -1.727 30.346 3.680 1.00 75.18 C ATOM 415 C THR A 44 -2.772 29.634 2.822 1.00 72.17 C ATOM 416 O THR A 44 -3.965 29.726 3.110 1.00 70.50 O ATOM 417 CB THR A 44 -1.170 29.331 4.730 1.00 72.36 C ATOM 418 OG1 THR A 44 -2.230 28.526 5.270 1.00 62.66 O ATOM 419 CG2 THR A 44 -0.410 30.026 5.863 1.00 69.11 C ATOM 420 HG1 THR A 44 -2.895 29.111 5.712 1.00 0.00 H ATOM 421 H THR A 44 -3.356 31.416 4.607 1.00 0.00 H ATOM 422 N PRO A 45 -2.332 28.899 1.782 1.00 72.59 N ATOM 423 CA PRO A 45 -3.285 28.129 0.971 1.00 72.37 C ATOM 424 C PRO A 45 -3.962 26.968 1.703 1.00 71.72 C ATOM 425 O PRO A 45 -4.952 26.431 1.207 1.00 70.51 O ATOM 426 CB PRO A 45 -2.421 27.599 -0.180 1.00 75.95 C ATOM 427 CG PRO A 45 -1.019 27.630 0.333 1.00 75.37 C ATOM 428 CD PRO A 45 -0.958 28.810 1.250 1.00 75.00 C ATOM 429 N TYR A 46 -3.430 26.597 2.868 1.00 72.22 N ATOM 430 CA TYR A 46 -3.953 25.494 3.679 1.00 70.01 C ATOM 431 C TYR A 46 -5.156 25.897 4.555 1.00 74.71 C ATOM 432 O TYR A 46 -5.812 25.027 5.125 1.00 74.35 O ATOM 433 CB TYR A 46 -2.812 24.903 4.532 1.00 64.82 C ATOM 434 CG TYR A 46 -1.575 24.593 3.702 1.00 59.91 C ATOM 435 CD1 TYR A 46 -1.608 23.604 2.719 1.00 57.12 C ATOM 436 CD2 TYR A 46 -0.400 25.326 3.855 1.00 54.59 C ATOM 437 CE1 TYR A 46 -0.510 23.339 1.934 1.00 55.13 C ATOM 438 CE2 TYR A 46 0.707 25.064 3.069 1.00 54.91 C ATOM 439 CZ TYR A 46 0.648 24.070 2.115 1.00 53.99 C ATOM 440 OH TYR A 46 1.749 23.804 1.335 1.00 54.08 O ATOM 441 HH TYR A 46 1.537 23.068 0.708 1.00 0.00 H ATOM 442 H TYR A 46 -2.601 27.117 3.219 1.00 0.00 H ATOM 443 N GLU A 47 -5.437 27.204 4.633 1.00 81.22 N ATOM 444 CA GLU A 47 -6.554 27.789 5.407 1.00 83.93 C ATOM 445 C GLU A 47 -7.887 27.042 5.313 1.00 80.44 C ATOM 446 O GLU A 47 -8.287 26.593 4.241 1.00 77.73 O ATOM 447 CB GLU A 47 -6.771 29.240 4.965 1.00 89.71 C ATOM 448 CG GLU A 47 -7.669 30.064 5.875 1.00 98.59 C ATOM 449 CD GLU A 47 -7.673 31.550 5.530 1.00106.20 C ATOM 450 OE1 GLU A 47 -8.525 32.272 6.088 1.00117.11 O ATOM 451 OE2 GLU A 47 -6.836 32.015 4.718 1.00105.26 O ATOM 452 H GLU A 47 -4.822 27.859 4.109 1.00 0.00 H ATOM 453 N LYS A 48 -8.563 26.921 6.456 1.00 84.40 N ATOM 454 CA LYS A 48 -9.834 26.188 6.575 1.00 85.84 C ATOM 455 C LYS A 48 -9.698 24.669 6.373 1.00 84.78 C ATOM 456 O LYS A 48 -10.706 23.979 6.195 1.00 84.23 O ATOM 457 CB LYS A 48 -10.895 26.764 5.618 1.00 86.53 C ATOM 458 H LYS A 48 -8.171 27.368 7.309 1.00 0.00 H ATOM 459 N GLY A 49 -8.465 24.152 6.427 1.00 80.52 N ATOM 460 CA GLY A 49 -8.192 22.718 6.306 1.00 74.35 C ATOM 461 C GLY A 49 -7.820 22.144 7.662 1.00 67.02 C ATOM 462 O GLY A 49 -7.286 22.848 8.518 1.00 65.53 O ATOM 463 H GLY A 49 -7.662 24.799 6.561 1.00 0.00 H ATOM 464 N VAL A 50 -8.106 20.860 7.841 1.00 61.92 N ATOM 465 CA VAL A 50 -7.811 20.131 9.070 1.00 62.87 C ATOM 466 C VAL A 50 -6.895 18.966 8.701 1.00 59.68 C ATOM 467 O VAL A 50 -7.311 18.052 7.968 1.00 56.36 O ATOM 468 CB VAL A 50 -9.109 19.595 9.741 1.00 65.90 C ATOM 469 CG1 VAL A 50 -8.797 18.769 10.990 1.00 66.92 C ATOM 470 CG2 VAL A 50 -10.035 20.753 10.107 1.00 67.46 C ATOM 471 H VAL A 50 -8.565 20.346 7.063 1.00 0.00 H ATOM 472 N PHE A 51 -5.662 19.001 9.220 1.00 56.59 N ATOM 473 CA PHE A 51 -4.635 17.992 8.913 1.00 53.49 C ATOM 474 C PHE A 51 -4.333 17.114 10.123 1.00 50.42 C ATOM 475 O PHE A 51 -3.949 17.618 11.180 1.00 45.99 O ATOM 476 CB PHE A 51 -3.358 18.671 8.436 1.00 51.18 C ATOM 477 CG PHE A 51 -3.557 19.545 7.236 1.00 51.65 C ATOM 478 CD1 PHE A 51 -3.489 19.010 5.947 1.00 50.41 C ATOM 479 CD2 PHE A 51 -3.826 20.911 7.388 1.00 52.33 C ATOM 480 CE1 PHE A 51 -3.674 19.824 4.831 1.00 49.98 C ATOM 481 CE2 PHE A 51 -4.011 21.726 6.278 1.00 51.46 C ATOM 482 CZ PHE A 51 -3.926 21.185 4.997 1.00 50.20 C ATOM 483 H PHE A 51 -5.418 19.776 9.869 1.00 0.00 H ATOM 484 N LYS A 52 -4.526 15.808 9.947 1.00 51.34 N ATOM 485 CA LYS A 52 -4.269 14.812 10.969 1.00 53.81 C ATOM 486 C LYS A 52 -2.850 14.237 10.817 1.00 54.45 C ATOM 487 O LYS A 52 -2.371 14.042 9.683 1.00 50.49 O ATOM 488 CB LYS A 52 -5.307 13.693 10.857 1.00 60.69 C ATOM 489 CG LYS A 52 -5.553 12.968 12.170 1.00 69.92 C ATOM 490 CD LYS A 52 -6.422 11.724 12.010 1.00 76.41 C ATOM 491 CE LYS A 52 -6.746 11.099 13.367 1.00 79.08 C ATOM 492 NZ LYS A 52 -6.794 9.612 13.315 1.00 81.24 N ATOM 493 HZ1 LYS A 52 -7.528 9.313 12.642 1.00 0.00 H ATOM 494 HZ2 LYS A 52 -5.870 9.247 13.007 1.00 0.00 H ATOM 495 HZ3 LYS A 52 -7.017 9.240 14.260 1.00 0.00 H ATOM 496 H LYS A 52 -4.881 15.484 9.025 1.00 0.00 H ATOM 497 N LEU A 53 -2.202 13.957 11.960 1.00 52.19 N ATOM 498 CA LEU A 53 -0.866 13.343 12.009 1.00 47.53 C ATOM 499 C LEU A 53 -0.751 12.182 12.990 1.00 46.25 C ATOM 500 O LEU A 53 -1.453 12.143 14.003 1.00 53.41 O ATOM 501 CB LEU A 53 0.178 14.370 12.413 1.00 46.31 C ATOM 502 CG LEU A 53 0.277 15.612 11.545 1.00 47.41 C ATOM 503 CD1 LEU A 53 -0.554 16.749 12.120 1.00 48.64 C ATOM 504 CD2 LEU A 53 1.718 16.054 11.404 1.00 48.24 C ATOM 505 H LEU A 53 -2.671 14.187 12.860 1.00 0.00 H ATOM 506 N GLU A 54 0.167 11.266 12.680 1.00 44.64 N ATOM 507 CA GLU A 54 0.576 10.170 13.557 1.00 45.86 C ATOM 508 C GLU A 54 1.896 10.540 14.261 1.00 42.83 C ATOM 509 O GLU A 54 2.847 10.920 13.595 1.00 41.42 O ATOM 510 CB GLU A 54 0.765 8.896 12.729 1.00 49.99 C ATOM 511 CG GLU A 54 0.976 7.626 13.541 1.00 57.72 C ATOM 512 CD GLU A 54 1.458 6.444 12.697 1.00 69.44 C ATOM 513 OE1 GLU A 54 2.566 6.534 12.097 1.00 73.57 O ATOM 514 OE2 GLU A 54 0.737 5.416 12.653 1.00 70.22 O ATOM 515 H GLU A 54 0.624 11.336 11.749 1.00 0.00 H ATOM 516 N VAL A 55 1.939 10.397 15.590 1.00 42.19 N ATOM 517 CA VAL A 55 3.070 10.786 16.428 1.00 43.33 C ATOM 518 C VAL A 55 3.509 9.570 17.231 1.00 45.97 C ATOM 519 O VAL A 55 2.839 9.198 18.197 1.00 45.68 O ATOM 520 CB VAL A 55 2.692 11.941 17.389 1.00 43.44 C ATOM 521 CG1 VAL A 55 3.826 12.305 18.332 1.00 44.71 C ATOM 522 CG2 VAL A 55 2.277 13.170 16.608 1.00 46.81 C ATOM 523 H VAL A 55 1.110 9.980 16.059 1.00 0.00 H ATOM 524 N ILE A 56 4.637 8.966 16.836 1.00 48.63 N ATOM 525 CA ILE A 56 5.211 7.809 17.543 1.00 51.04 C ATOM 526 C ILE A 56 6.366 8.267 18.420 1.00 52.03 C ATOM 527 O ILE A 56 7.315 8.887 17.942 1.00 53.01 O ATOM 528 CB ILE A 56 5.744 6.716 16.580 1.00 55.14 C ATOM 529 CG1 ILE A 56 4.684 6.303 15.541 1.00 58.76 C ATOM 530 CG2 ILE A 56 6.253 5.505 17.357 1.00 55.84 C ATOM 531 CD1 ILE A 56 3.334 5.904 16.112 1.00 62.21 C ATOM 532 H ILE A 56 5.128 9.329 15.994 1.00 0.00 H ATOM 533 N ILE A 57 6.295 7.915 19.695 1.00 52.33 N ATOM 534 CA ILE A 57 7.338 8.231 20.648 1.00 52.59 C ATOM 535 C ILE A 57 8.276 7.012 20.750 1.00 55.82 C ATOM 536 O ILE A 57 7.832 5.933 21.147 1.00 55.04 O ATOM 537 CB ILE A 57 6.714 8.525 22.010 1.00 52.28 C ATOM 538 CG1 ILE A 57 5.613 9.592 21.887 1.00 52.26 C ATOM 539 CG2 ILE A 57 7.778 8.917 23.015 1.00 50.52 C ATOM 540 CD1 ILE A 57 6.075 10.956 21.417 1.00 52.27 C ATOM 541 H ILE A 57 5.458 7.392 20.024 1.00 0.00 H ATOM 542 N PRO A 58 9.569 7.176 20.388 1.00 57.18 N ATOM 543 CA PRO A 58 10.485 6.027 20.410 1.00 55.74 C ATOM 544 C PRO A 58 10.892 5.628 21.826 1.00 57.52 C ATOM 545 O PRO A 58 10.786 6.432 22.757 1.00 55.49 O ATOM 546 CB PRO A 58 11.694 6.527 19.622 1.00 56.26 C ATOM 547 CG PRO A 58 11.699 8.005 19.839 1.00 56.08 C ATOM 548 CD PRO A 58 10.274 8.434 20.057 1.00 55.62 C ATOM 549 N GLU A 59 11.366 4.392 21.969 1.00 64.24 N ATOM 550 CA GLU A 59 11.696 3.811 23.284 1.00 70.16 C ATOM 551 C GLU A 59 12.781 4.583 24.080 1.00 68.28 C ATOM 552 O GLU A 59 12.818 4.500 25.308 1.00 68.01 O ATOM 553 CB GLU A 59 12.085 2.326 23.133 1.00 76.72 C ATOM 554 CG GLU A 59 11.755 1.445 24.344 1.00 86.39 C ATOM 555 CD GLU A 59 10.255 1.193 24.559 1.00 91.48 C ATOM 556 OE1 GLU A 59 9.454 1.331 23.606 1.00 92.81 O ATOM 557 OE2 GLU A 59 9.866 0.847 25.698 1.00 95.05 O ATOM 558 H GLU A 59 11.510 3.812 21.118 1.00 0.00 H ATOM 559 N ARG A 60 13.628 5.348 23.390 1.00 67.00 N ATOM 560 CA ARG A 60 14.673 6.147 24.039 1.00 67.09 C ATOM 561 C ARG A 60 14.327 7.641 24.219 1.00 63.04 C ATOM 562 O ARG A 60 15.199 8.439 24.597 1.00 60.53 O ATOM 563 CB ARG A 60 16.002 5.945 23.290 1.00 75.27 C ATOM 564 CG ARG A 60 16.688 4.620 23.640 1.00 81.59 C ATOM 565 CD ARG A 60 17.826 4.235 22.692 1.00 88.17 C ATOM 566 NE ARG A 60 18.599 5.393 22.219 1.00 94.08 N ATOM 567 CZ ARG A 60 19.578 6.019 22.880 1.00 91.35 C ATOM 568 NH1 ARG A 60 19.971 5.619 24.090 1.00 92.03 N ATOM 569 NH2 ARG A 60 20.176 7.070 22.314 1.00 90.42 N ATOM 570 HE ARG A 60 18.360 5.762 21.276 1.00 0.00 H ATOM 571 HH12 ARG A 60 20.735 6.124 24.582 1.00 0.00 H ATOM 572 HH11 ARG A 60 19.513 4.802 24.542 1.00 0.00 H ATOM 573 HH22 ARG A 60 20.939 7.567 22.816 1.00 0.00 H ATOM 574 HH21 ARG A 60 19.879 7.392 21.371 1.00 0.00 H ATOM 575 H ARG A 60 13.545 5.379 22.354 1.00 0.00 H ATOM 576 N TYR A 61 13.059 8.013 23.991 1.00 55.13 N ATOM 577 CA TYR A 61 12.559 9.379 24.254 1.00 51.31 C ATOM 578 C TYR A 61 12.848 9.716 25.723 1.00 51.00 C ATOM 579 O TYR A 61 12.649 8.844 26.571 1.00 50.92 O ATOM 580 CB TYR A 61 11.017 9.476 23.966 1.00 50.30 C ATOM 581 CG TYR A 61 10.481 10.897 24.002 1.00 44.40 C ATOM 582 CD1 TYR A 61 10.572 11.722 22.890 1.00 44.22 C ATOM 583 CD2 TYR A 61 9.940 11.436 25.158 1.00 41.76 C ATOM 584 CE1 TYR A 61 10.116 13.036 22.921 1.00 42.84 C ATOM 585 CE2 TYR A 61 9.499 12.761 25.196 1.00 41.63 C ATOM 586 CZ TYR A 61 9.578 13.548 24.066 1.00 40.96 C ATOM 587 OH TYR A 61 9.139 14.864 24.087 1.00 46.49 O ATOM 588 HH TYR A 61 8.177 14.886 24.320 1.00 0.00 H ATOM 589 H TYR A 61 12.396 7.307 23.611 1.00 0.00 H ATOM 590 N PRO A 62 13.302 10.930 26.068 1.00 51.73 N ATOM 591 CA PRO A 62 13.434 12.108 25.203 1.00 53.63 C ATOM 592 C PRO A 62 14.805 12.319 24.535 1.00 57.93 C ATOM 593 O PRO A 62 15.138 13.457 24.182 1.00 60.22 O ATOM 594 CB PRO A 62 13.173 13.244 26.188 1.00 50.50 C ATOM 595 CG PRO A 62 13.806 12.757 27.440 1.00 50.06 C ATOM 596 CD PRO A 62 13.619 11.261 27.465 1.00 50.13 C ATOM 597 N PHE A 63 15.584 11.260 24.348 1.00 59.35 N ATOM 598 CA PHE A 63 16.915 11.400 23.744 1.00 64.77 C ATOM 599 C PHE A 63 16.888 11.189 22.225 1.00 69.61 C ATOM 600 O PHE A 63 17.801 11.635 21.534 1.00 77.03 O ATOM 601 CB PHE A 63 17.919 10.470 24.428 1.00 64.41 C ATOM 602 CG PHE A 63 17.951 10.621 25.928 1.00 61.52 C ATOM 603 CD1 PHE A 63 18.364 11.820 26.509 1.00 60.29 C ATOM 604 CD2 PHE A 63 17.565 9.571 26.760 1.00 59.33 C ATOM 605 CE1 PHE A 63 18.395 11.970 27.889 1.00 58.78 C ATOM 606 CE2 PHE A 63 17.591 9.718 28.140 1.00 60.98 C ATOM 607 CZ PHE A 63 18.005 10.920 28.703 1.00 60.49 C ATOM 608 H PHE A 63 15.247 10.318 24.633 1.00 0.00 H ATOM 609 N GLU A 64 15.858 10.507 21.718 1.00 68.79 N ATOM 610 CA GLU A 64 15.512 10.523 20.292 1.00 65.17 C ATOM 611 C GLU A 64 14.213 11.316 20.107 1.00 66.16 C ATOM 612 O GLU A 64 13.358 11.337 21.013 1.00 55.79 O ATOM 613 CB GLU A 64 15.300 9.109 19.757 1.00 68.42 C ATOM 614 CG GLU A 64 16.397 8.117 20.096 1.00 73.32 C ATOM 615 CD GLU A 64 16.286 6.834 19.292 1.00 77.85 C ATOM 616 OE1 GLU A 64 15.157 6.442 18.925 1.00 78.96 O ATOM 617 OE2 GLU A 64 17.334 6.212 19.021 1.00 82.55 O ATOM 618 H GLU A 64 15.274 9.938 22.364 1.00 0.00 H ATOM 619 N PRO A 65 14.041 11.951 18.929 1.00 61.83 N ATOM 620 CA PRO A 65 12.870 12.795 18.728 1.00 57.82 C ATOM 621 C PRO A 65 11.588 11.991 18.455 1.00 51.94 C ATOM 622 O PRO A 65 11.656 10.811 18.105 1.00 50.82 O ATOM 623 CB PRO A 65 13.249 13.621 17.496 1.00 57.53 C ATOM 624 CG PRO A 65 14.116 12.710 16.710 1.00 59.81 C ATOM 625 CD PRO A 65 14.889 11.905 17.723 1.00 62.27 C ATOM 626 N PRO A 66 10.421 12.638 18.584 1.00 50.57 N ATOM 627 CA PRO A 66 9.181 11.996 18.132 1.00 52.06 C ATOM 628 C PRO A 66 9.200 11.747 16.627 1.00 51.74 C ATOM 629 O PRO A 66 9.738 12.572 15.882 1.00 56.14 O ATOM 630 CB PRO A 66 8.094 13.023 18.473 1.00 50.87 C ATOM 631 CG PRO A 66 8.734 14.057 19.321 1.00 50.12 C ATOM 632 CD PRO A 66 10.195 14.032 18.999 1.00 51.82 C ATOM 633 N GLN A 67 8.631 10.624 16.201 1.00 50.56 N ATOM 634 CA GLN A 67 8.518 10.284 14.788 1.00 52.52 C ATOM 635 C GLN A 67 7.135 10.712 14.303 1.00 52.29 C ATOM 636 O GLN A 67 6.112 10.137 14.722 1.00 47.07 O ATOM 637 CB GLN A 67 8.730 8.784 14.583 1.00 56.08 C ATOM 638 CG GLN A 67 10.128 8.287 14.967 1.00 63.65 C ATOM 639 CD GLN A 67 10.124 6.878 15.564 1.00 70.51 C ATOM 640 OE1 GLN A 67 9.982 6.703 16.780 1.00 81.05 O ATOM 641 NE2 GLN A 67 10.279 5.870 14.713 1.00 69.67 N ATOM 642 HE22 GLN A 67 10.395 6.060 13.697 1.00 0.00 H ATOM 643 HE21 GLN A 67 10.284 4.890 15.062 1.00 0.00 H ATOM 644 H GLN A 67 8.250 9.960 16.905 1.00 0.00 H ATOM 645 N ILE A 68 7.102 11.730 13.438 1.00 50.11 N ATOM 646 CA ILE A 68 5.841 12.353 13.024 1.00 48.75 C ATOM 647 C ILE A 68 5.662 12.339 11.512 1.00 51.17 C ATOM 648 O ILE A 68 6.584 12.657 10.785 1.00 51.71 O ATOM 649 CB ILE A 68 5.728 13.799 13.533 1.00 46.59 C ATOM 650 CG1 ILE A 68 6.066 13.835 15.033 1.00 45.09 C ATOM 651 CG2 ILE A 68 4.327 14.360 13.221 1.00 47.00 C ATOM 652 CD1 ILE A 68 5.813 15.157 15.725 1.00 44.25 C ATOM 653 H ILE A 68 7.996 12.091 13.047 1.00 0.00 H ATOM 654 N ARG A 69 4.462 11.984 11.058 1.00 51.60 N ATOM 655 CA ARG A 69 4.118 12.022 9.640 1.00 54.22 C ATOM 656 C ARG A 69 2.648 12.408 9.439 1.00 49.55 C ATOM 657 O ARG A 69 1.806 12.114 10.297 1.00 45.85 O ATOM 658 CB ARG A 69 4.431 10.676 8.980 1.00 63.43 C ATOM 659 CG ARG A 69 3.434 9.560 9.253 1.00 71.97 C ATOM 660 CD ARG A 69 3.987 8.203 8.837 1.00 80.83 C ATOM 661 NE ARG A 69 3.129 7.084 9.257 1.00 94.40 N ATOM 662 CZ ARG A 69 2.016 6.668 8.640 1.00 97.19 C ATOM 663 NH1 ARG A 69 1.560 7.270 7.539 1.00 98.66 N ATOM 664 NH2 ARG A 69 1.342 5.630 9.139 1.00 98.77 N ATOM 665 HE ARG A 69 3.414 6.568 10.114 1.00 0.00 H ATOM 666 HH12 ARG A 69 0.693 6.926 7.080 1.00 0.00 H ATOM 667 HH11 ARG A 69 2.072 8.083 7.141 1.00 0.00 H ATOM 668 HH22 ARG A 69 0.476 5.298 8.669 1.00 0.00 H ATOM 669 HH21 ARG A 69 1.683 5.153 9.998 1.00 0.00 H ATOM 670 H ARG A 69 3.743 11.668 11.739 1.00 0.00 H ATOM 671 N PHE A 70 2.360 13.084 8.323 1.00 47.77 N ATOM 672 CA PHE A 70 0.989 13.506 7.987 1.00 47.84 C ATOM 673 C PHE A 70 0.204 12.279 7.537 1.00 48.47 C ATOM 674 O PHE A 70 0.719 11.485 6.757 1.00 47.61 O ATOM 675 CB PHE A 70 0.963 14.548 6.863 1.00 43.95 C ATOM 676 CG PHE A 70 1.254 15.954 7.315 1.00 45.39 C ATOM 677 CD1 PHE A 70 0.231 16.882 7.457 1.00 42.84 C ATOM 678 CD2 PHE A 70 2.563 16.364 7.573 1.00 45.07 C ATOM 679 CE1 PHE A 70 0.500 18.181 7.863 1.00 44.94 C ATOM 680 CE2 PHE A 70 2.842 17.664 7.980 1.00 46.27 C ATOM 681 CZ PHE A 70 1.808 18.581 8.118 1.00 46.77 C ATOM 682 H PHE A 70 3.132 13.321 7.668 1.00 0.00 H ATOM 683 N LEU A 71 -1.021 12.122 8.046 1.00 52.23 N ATOM 684 CA LEU A 71 -1.975 11.126 7.518 1.00 53.88 C ATOM 685 C LEU A 71 -2.863 11.752 6.442 1.00 53.32 C ATOM 686 O LEU A 71 -3.224 11.092 5.477 1.00 57.29 O ATOM 687 CB LEU A 71 -2.814 10.522 8.650 1.00 54.02 C ATOM 688 CG LEU A 71 -2.039 9.758 9.734 1.00 52.99 C ATOM 689 CD1 LEU A 71 -2.910 9.360 10.912 1.00 52.31 C ATOM 690 CD2 LEU A 71 -1.368 8.533 9.152 1.00 53.67 C ATOM 691 H LEU A 71 -1.313 12.723 8.843 1.00 0.00 H ATOM 692 N THR A 72 -3.196 13.027 6.617 1.00 56.12 N ATOM 693 CA THR A 72 -3.967 13.800 5.651 1.00 56.27 C ATOM 694 C THR A 72 -3.040 14.309 4.548 1.00 59.23 C ATOM 695 O THR A 72 -2.049 14.969 4.858 1.00 54.44 O ATOM 696 CB THR A 72 -4.590 15.035 6.325 1.00 55.24 C ATOM 697 OG1 THR A 72 -5.307 14.622 7.497 1.00 55.89 O ATOM 698 CG2 THR A 72 -5.518 15.781 5.363 1.00 54.94 C ATOM 699 HG1 THR A 72 -5.709 15.415 7.933 1.00 0.00 H ATOM 700 H THR A 72 -2.890 13.499 7.491 1.00 0.00 H ATOM 701 N PRO A 73 -3.358 14.017 3.265 1.00 60.55 N ATOM 702 CA PRO A 73 -2.514 14.524 2.194 1.00 59.03 C ATOM 703 C PRO A 73 -2.359 16.040 2.185 1.00 58.32 C ATOM 704 O PRO A 73 -3.311 16.750 2.488 1.00 61.42 O ATOM 705 CB PRO A 73 -3.218 14.025 0.926 1.00 63.32 C ATOM 706 CG PRO A 73 -3.890 12.760 1.350 1.00 62.36 C ATOM 707 CD PRO A 73 -4.332 13.021 2.762 1.00 62.45 C ATOM 708 N ILE A 74 -1.151 16.501 1.861 1.00 54.15 N ATOM 709 CA ILE A 74 -0.803 17.918 1.797 1.00 53.42 C ATOM 710 C ILE A 74 0.240 18.167 0.692 1.00 54.74 C ATOM 711 O ILE A 74 1.135 17.356 0.489 1.00 51.46 O ATOM 712 CB ILE A 74 -0.280 18.436 3.162 1.00 54.03 C ATOM 713 CG1 ILE A 74 -0.099 19.962 3.140 1.00 52.54 C ATOM 714 CG2 ILE A 74 1.024 17.742 3.564 1.00 54.07 C ATOM 715 CD1 ILE A 74 0.269 20.549 4.486 1.00 53.45 C ATOM 716 H ILE A 74 -0.409 15.807 1.640 1.00 0.00 H ATOM 717 N TYR A 75 0.115 19.309 0.013 1.00 56.17 N ATOM 718 CA TYR A 75 0.926 19.661 -1.151 1.00 53.65 C ATOM 719 C TYR A 75 1.896 20.732 -0.679 1.00 47.88 C ATOM 720 O TYR A 75 1.482 21.858 -0.427 1.00 47.89 O ATOM 721 CB TYR A 75 -0.012 20.179 -2.257 1.00 57.03 C ATOM 722 CG TYR A 75 0.615 20.522 -3.598 1.00 56.64 C ATOM 723 CD1 TYR A 75 0.642 19.587 -4.635 1.00 60.73 C ATOM 724 CD2 TYR A 75 1.131 21.799 -3.850 1.00 57.51 C ATOM 725 CE1 TYR A 75 1.193 19.896 -5.874 1.00 60.15 C ATOM 726 CE2 TYR A 75 1.684 22.119 -5.084 1.00 58.68 C ATOM 727 CZ TYR A 75 1.713 21.161 -6.093 1.00 60.84 C ATOM 728 OH TYR A 75 2.250 21.457 -7.323 1.00 60.80 O ATOM 729 HH TYR A 75 3.200 21.712 -7.214 1.00 0.00 H ATOM 730 H TYR A 75 -0.603 19.990 0.332 1.00 0.00 H ATOM 731 N HIS A 76 3.173 20.363 -0.544 1.00 44.17 N ATOM 732 CA HIS A 76 4.170 21.158 0.189 1.00 43.62 C ATOM 733 C HIS A 76 5.573 20.659 -0.219 1.00 44.68 C ATOM 734 O HIS A 76 5.780 19.448 -0.345 1.00 46.35 O ATOM 735 CB HIS A 76 3.943 20.971 1.716 1.00 45.71 C ATOM 736 CG HIS A 76 4.694 21.943 2.589 1.00 47.38 C ATOM 737 ND1 HIS A 76 6.030 21.795 2.885 1.00 47.69 N ATOM 738 CD2 HIS A 76 4.290 23.055 3.249 1.00 47.54 C ATOM 739 CE1 HIS A 76 6.425 22.784 3.668 1.00 48.80 C ATOM 740 NE2 HIS A 76 5.384 23.557 3.914 1.00 49.70 N ATOM 741 H HIS A 76 3.477 19.469 -0.979 1.00 0.00 H ATOM 742 N PRO A 77 6.535 21.567 -0.445 1.00 44.57 N ATOM 743 CA PRO A 77 7.874 21.120 -0.892 1.00 45.41 C ATOM 744 C PRO A 77 8.662 20.227 0.063 1.00 43.48 C ATOM 745 O PRO A 77 9.463 19.431 -0.389 1.00 43.04 O ATOM 746 CB PRO A 77 8.645 22.436 -1.114 1.00 45.72 C ATOM 747 CG PRO A 77 7.834 23.490 -0.455 1.00 48.46 C ATOM 748 CD PRO A 77 6.411 23.036 -0.486 1.00 47.04 C ATOM 749 N ASN A 78 8.473 20.427 1.361 1.00 42.33 N ATOM 750 CA ASN A 78 9.126 19.656 2.420 1.00 41.48 C ATOM 751 C ASN A 78 8.416 18.397 2.932 1.00 42.35 C ATOM 752 O ASN A 78 8.897 17.766 3.878 1.00 41.87 O ATOM 753 CB ASN A 78 9.380 20.585 3.601 1.00 40.70 C ATOM 754 CG ASN A 78 10.161 21.815 3.202 1.00 43.94 C ATOM 755 OD1 ASN A 78 9.630 22.921 3.203 1.00 44.58 O ATOM 756 ND2 ASN A 78 11.424 21.623 2.825 1.00 44.36 N ATOM 757 HD22 ASN A 78 11.832 20.666 2.841 1.00 0.00 H ATOM 758 HD21 ASN A 78 12.002 22.430 2.515 1.00 0.00 H ATOM 759 H ASN A 78 7.817 21.182 1.645 1.00 0.00 H ATOM 760 N ILE A 79 7.274 18.045 2.344 1.00 44.10 N ATOM 761 CA ILE A 79 6.475 16.896 2.801 1.00 44.09 C ATOM 762 C ILE A 79 6.217 15.977 1.614 1.00 43.42 C ATOM 763 O ILE A 79 5.782 16.441 0.577 1.00 42.16 O ATOM 764 CB ILE A 79 5.143 17.359 3.425 1.00 47.37 C ATOM 765 CG1 ILE A 79 5.423 18.252 4.642 1.00 48.50 C ATOM 766 CG2 ILE A 79 4.280 16.161 3.825 1.00 49.02 C ATOM 767 CD1 ILE A 79 4.253 19.089 5.085 1.00 49.06 C ATOM 768 H ILE A 79 6.935 18.601 1.533 1.00 0.00 H ATOM 769 N ASP A 80 6.501 14.682 1.752 1.00 47.67 N ATOM 770 CA ASP A 80 6.358 13.766 0.608 1.00 51.23 C ATOM 771 C ASP A 80 4.999 13.085 0.556 1.00 52.82 C ATOM 772 O ASP A 80 4.182 13.260 1.453 1.00 51.86 O ATOM 773 CB ASP A 80 7.558 12.800 0.491 1.00 51.63 C ATOM 774 CG ASP A 80 7.507 11.600 1.440 1.00 53.44 C ATOM 775 OD1 ASP A 80 6.520 11.393 2.177 1.00 52.53 O ATOM 776 OD2 ASP A 80 8.505 10.839 1.419 1.00 53.67 O ATOM 777 H ASP A 80 6.825 14.317 2.671 1.00 0.00 H ATOM 778 N SER A 81 4.784 12.300 -0.497 1.00 56.75 N ATOM 779 CA SER A 81 3.523 11.586 -0.742 1.00 58.88 C ATOM 780 C SER A 81 3.160 10.503 0.287 1.00 56.33 C ATOM 781 O SER A 81 2.025 10.033 0.302 1.00 61.64 O ATOM 782 CB SER A 81 3.516 10.988 -2.162 1.00 63.12 C ATOM 783 OG SER A 81 4.806 10.498 -2.527 1.00 70.86 O ATOM 784 HG SER A 81 4.768 10.121 -3.442 1.00 0.00 H ATOM 785 H SER A 81 5.554 12.185 -1.187 1.00 0.00 H ATOM 786 N ALA A 82 4.110 10.097 1.122 1.00 50.71 N ATOM 787 CA ALA A 82 3.838 9.197 2.239 1.00 49.54 C ATOM 788 C ALA A 82 3.680 9.930 3.572 1.00 49.04 C ATOM 789 O ALA A 82 3.498 9.278 4.606 1.00 50.61 O ATOM 790 CB ALA A 82 4.958 8.178 2.355 1.00 49.86 C ATOM 791 H ALA A 82 5.083 10.433 0.975 1.00 0.00 H ATOM 792 N GLY A 83 3.777 11.263 3.564 1.00 45.04 N ATOM 793 CA GLY A 83 3.649 12.070 4.789 1.00 45.35 C ATOM 794 C GLY A 83 4.914 12.378 5.582 1.00 44.36 C ATOM 795 O GLY A 83 4.820 12.977 6.650 1.00 44.55 O ATOM 796 H GLY A 83 3.949 11.748 2.660 1.00 0.00 H ATOM 797 N ARG A 84 6.092 12.004 5.073 1.00 46.07 N ATOM 798 CA ARG A 84 7.360 12.266 5.783 1.00 44.51 C ATOM 799 C ARG A 84 7.669 13.758 5.723 1.00 43.32 C ATOM 800 O ARG A 84 7.469 14.389 4.696 1.00 41.96 O ATOM 801 CB ARG A 84 8.525 11.500 5.157 1.00 49.93 C ATOM 802 CG ARG A 84 8.463 9.985 5.249 1.00 51.91 C ATOM 803 CD ARG A 84 9.397 9.306 4.236 1.00 55.07 C ATOM 804 NE ARG A 84 10.827 9.499 4.532 1.00 56.79 N ATOM 805 CZ ARG A 84 11.779 9.916 3.686 1.00 55.99 C ATOM 806 NH1 ARG A 84 11.538 10.212 2.412 1.00 55.24 N ATOM 807 NH2 ARG A 84 13.026 10.026 4.130 1.00 61.63 N ATOM 808 HE ARG A 84 11.131 9.289 5.504 1.00 0.00 H ATOM 809 HH12 ARG A 84 12.313 10.532 1.797 1.00 0.00 H ATOM 810 HH11 ARG A 84 10.574 10.124 2.031 1.00 0.00 H ATOM 811 HH22 ARG A 84 13.780 10.348 3.490 1.00 0.00 H ATOM 812 HH21 ARG A 84 13.249 9.790 5.118 1.00 0.00 H ATOM 813 H ARG A 84 6.116 11.517 4.155 1.00 0.00 H ATOM 814 N ILE A 85 8.167 14.301 6.826 1.00 41.52 N ATOM 815 CA ILE A 85 8.446 15.713 6.954 1.00 43.86 C ATOM 816 C ILE A 85 9.973 15.923 7.027 1.00 44.52 C ATOM 817 O ILE A 85 10.620 15.338 7.886 1.00 42.16 O ATOM 818 CB ILE A 85 7.787 16.263 8.247 1.00 43.21 C ATOM 819 CG1 ILE A 85 6.277 15.916 8.326 1.00 42.53 C ATOM 820 CG2 ILE A 85 7.961 17.762 8.340 1.00 43.08 C ATOM 821 CD1 ILE A 85 5.742 15.880 9.739 1.00 40.77 C ATOM 822 H ILE A 85 8.366 13.681 7.637 1.00 0.00 H ATOM 823 N CYS A 86 10.534 16.765 6.149 1.00 44.58 N ATOM 824 CA CYS A 86 11.938 17.196 6.272 1.00 46.08 C ATOM 825 C CYS A 86 12.030 18.464 7.142 1.00 43.58 C ATOM 826 O CYS A 86 11.757 19.568 6.684 1.00 45.50 O ATOM 827 CB CYS A 86 12.594 17.410 4.896 1.00 50.41 C ATOM 828 SG CYS A 86 14.410 17.494 4.968 1.00 56.77 S ATOM 829 H CYS A 86 9.963 17.125 5.358 1.00 0.00 H ATOM 830 N LEU A 87 12.418 18.280 8.399 1.00 42.32 N ATOM 831 CA LEU A 87 12.416 19.338 9.411 1.00 43.39 C ATOM 832 C LEU A 87 13.552 19.048 10.388 1.00 45.13 C ATOM 833 O LEU A 87 13.731 17.899 10.803 1.00 45.13 O ATOM 834 CB LEU A 87 11.068 19.349 10.148 1.00 42.90 C ATOM 835 CG LEU A 87 10.748 20.407 11.213 1.00 43.10 C ATOM 836 CD1 LEU A 87 10.968 21.808 10.670 1.00 43.32 C ATOM 837 CD2 LEU A 87 9.311 20.257 11.711 1.00 43.88 C ATOM 838 H LEU A 87 12.741 17.332 8.680 1.00 0.00 H ATOM 839 N ASP A 88 14.328 20.071 10.728 1.00 45.40 N ATOM 840 CA ASP A 88 15.546 19.884 11.545 1.00 53.37 C ATOM 841 C ASP A 88 15.279 19.367 12.973 1.00 50.34 C ATOM 842 O ASP A 88 16.002 18.486 13.458 1.00 47.68 O ATOM 843 CB ASP A 88 16.404 21.172 11.579 1.00 57.66 C ATOM 844 CG ASP A 88 15.650 22.402 12.143 1.00 69.13 C ATOM 845 OD1 ASP A 88 14.411 22.340 12.404 1.00 70.49 O ATOM 846 OD2 ASP A 88 16.315 23.456 12.314 1.00 82.03 O ATOM 847 H ASP A 88 14.072 21.028 10.411 1.00 0.00 H ATOM 848 N VAL A 89 14.232 19.883 13.628 1.00 46.20 N ATOM 849 CA VAL A 89 13.907 19.464 15.008 1.00 45.36 C ATOM 850 C VAL A 89 13.416 18.019 15.122 1.00 44.72 C ATOM 851 O VAL A 89 13.358 17.488 16.229 1.00 48.10 O ATOM 852 CB VAL A 89 12.916 20.418 15.716 1.00 49.58 C ATOM 853 CG1 VAL A 89 13.524 21.810 15.893 1.00 49.22 C ATOM 854 CG2 VAL A 89 11.571 20.510 14.982 1.00 50.99 C ATOM 855 H VAL A 89 13.635 20.593 13.157 1.00 0.00 H ATOM 856 N LEU A 90 13.089 17.378 13.997 1.00 43.03 N ATOM 857 CA LEU A 90 12.810 15.927 13.964 1.00 47.01 C ATOM 858 C LEU A 90 14.019 15.041 13.669 1.00 48.59 C ATOM 859 O LEU A 90 13.859 13.834 13.523 1.00 48.10 O ATOM 860 CB LEU A 90 11.701 15.618 12.940 1.00 47.64 C ATOM 861 CG LEU A 90 10.408 16.430 13.040 1.00 47.16 C ATOM 862 CD1 LEU A 90 9.464 15.975 11.952 1.00 50.33 C ATOM 863 CD2 LEU A 90 9.754 16.279 14.402 1.00 48.01 C ATOM 864 H LEU A 90 13.028 17.920 13.111 1.00 0.00 H ATOM 865 N LYS A 91 15.226 15.609 13.595 1.00 55.04 N ATOM 866 CA LYS A 91 16.435 14.813 13.328 1.00 56.98 C ATOM 867 C LYS A 91 17.471 14.992 14.435 1.00 54.89 C ATOM 868 O LYS A 91 17.574 16.060 15.046 1.00 52.29 O ATOM 869 CB LYS A 91 17.038 15.193 11.974 1.00 62.36 C ATOM 870 CG LYS A 91 16.149 14.901 10.769 1.00 67.35 C ATOM 871 CD LYS A 91 16.653 15.597 9.502 1.00 73.60 C ATOM 872 CE LYS A 91 15.612 15.518 8.389 1.00 80.16 C ATOM 873 NZ LYS A 91 16.035 16.117 7.087 1.00 83.46 N ATOM 874 HZ1 LYS A 91 16.250 17.125 7.224 1.00 0.00 H ATOM 875 HZ2 LYS A 91 16.883 15.625 6.739 1.00 0.00 H ATOM 876 HZ3 LYS A 91 15.266 16.017 6.394 1.00 0.00 H ATOM 877 H LYS A 91 15.313 16.637 13.729 1.00 0.00 H ATOM 878 N LEU A 92 18.241 13.940 14.688 1.00 59.41 N ATOM 879 CA LEU A 92 19.342 14.007 15.655 1.00 64.12 C ATOM 880 C LEU A 92 20.505 14.849 15.088 1.00 64.46 C ATOM 881 O LEU A 92 20.691 14.895 13.862 1.00 56.74 O ATOM 882 CB LEU A 92 19.827 12.596 16.011 1.00 68.07 C ATOM 883 CG LEU A 92 18.863 11.780 16.890 1.00 66.28 C ATOM 884 CD1 LEU A 92 19.100 10.274 16.746 1.00 67.56 C ATOM 885 CD2 LEU A 92 18.949 12.216 18.356 1.00 62.20 C ATOM 886 H LEU A 92 18.059 13.046 14.188 1.00 0.00 H ATOM 887 N PRO A 93 21.277 15.530 15.969 1.00 67.89 N ATOM 888 CA PRO A 93 22.530 16.166 15.516 1.00 69.08 C ATOM 889 C PRO A 93 23.561 15.125 15.017 1.00 62.98 C ATOM 890 O PRO A 93 23.459 13.952 15.383 1.00 58.49 O ATOM 891 CB PRO A 93 23.038 16.896 16.773 1.00 70.74 C ATOM 892 CG PRO A 93 21.838 17.041 17.653 1.00 72.73 C ATOM 893 CD PRO A 93 21.022 15.806 17.397 1.00 71.64 C ATOM 894 N PRO A 94 24.548 15.526 14.214 1.00 64.05 N ATOM 895 CA PRO A 94 24.894 16.934 13.926 1.00 64.47 C ATOM 896 C PRO A 94 24.057 17.672 12.856 1.00 60.89 C ATOM 897 O PRO A 94 23.977 18.894 12.896 1.00 56.58 O ATOM 898 CB PRO A 94 26.367 16.844 13.483 1.00 65.53 C ATOM 899 CG PRO A 94 26.589 15.404 13.132 1.00 65.18 C ATOM 900 CD PRO A 94 25.707 14.629 14.055 1.00 65.65 C ATOM 901 N LYS A 95 23.454 16.951 11.915 1.00 64.43 N ATOM 902 CA LYS A 95 22.597 17.579 10.898 1.00 68.39 C ATOM 903 C LYS A 95 21.352 18.198 11.535 1.00 64.36 C ATOM 904 O LYS A 95 21.023 19.355 11.276 1.00 65.44 O ATOM 905 CB LYS A 95 22.189 16.555 9.833 1.00 77.42 C ATOM 906 CG LYS A 95 21.362 17.123 8.684 1.00 87.50 C ATOM 907 CD LYS A 95 21.278 16.138 7.519 1.00 96.29 C ATOM 908 CE LYS A 95 20.434 16.675 6.368 1.00 99.67 C ATOM 909 NZ LYS A 95 19.015 16.907 6.763 1.00100.49 N ATOM 910 HZ1 LYS A 95 18.594 16.011 7.080 1.00 0.00 H ATOM 911 HZ2 LYS A 95 18.981 17.600 7.537 1.00 0.00 H ATOM 912 HZ3 LYS A 95 18.484 17.271 5.946 1.00 0.00 H ATOM 913 H LYS A 95 23.592 15.920 11.898 1.00 0.00 H ATOM 914 N GLY A 96 20.686 17.430 12.392 1.00 62.25 N ATOM 915 CA GLY A 96 19.454 17.875 13.032 1.00 63.79 C ATOM 916 C GLY A 96 19.621 18.807 14.223 1.00 62.95 C ATOM 917 O GLY A 96 20.741 19.191 14.583 1.00 60.64 O ATOM 918 H GLY A 96 21.055 16.483 12.612 1.00 0.00 H ATOM 919 N ALA A 97 18.483 19.148 14.833 1.00 58.37 N ATOM 920 CA ALA A 97 18.426 20.028 15.992 1.00 55.78 C ATOM 921 C ALA A 97 17.580 19.495 17.156 1.00 57.04 C ATOM 922 O ALA A 97 17.229 20.269 18.043 1.00 57.36 O ATOM 923 CB ALA A 97 17.919 21.401 15.570 1.00 55.81 C ATOM 924 H ALA A 97 17.591 18.765 14.461 1.00 0.00 H ATOM 925 N TRP A 98 17.264 18.198 17.187 1.00 58.98 N ATOM 926 CA TRP A 98 16.561 17.645 18.347 1.00 60.63 C ATOM 927 C TRP A 98 17.475 17.681 19.577 1.00 66.07 C ATOM 928 O TRP A 98 18.629 17.253 19.505 1.00 71.62 O ATOM 929 CB TRP A 98 16.066 16.206 18.129 1.00 58.41 C ATOM 930 CG TRP A 98 15.508 15.616 19.416 1.00 59.49 C ATOM 931 CD1 TRP A 98 16.114 14.704 20.234 1.00 61.44 C ATOM 932 CD2 TRP A 98 14.257 15.947 20.047 1.00 58.97 C ATOM 933 NE1 TRP A 98 15.313 14.434 21.322 1.00 64.12 N ATOM 934 CE2 TRP A 98 14.171 15.188 21.235 1.00 59.74 C ATOM 935 CE3 TRP A 98 13.195 16.796 19.713 1.00 57.11 C ATOM 936 CZ2 TRP A 98 13.062 15.255 22.090 1.00 57.97 C ATOM 937 CZ3 TRP A 98 12.092 16.865 20.572 1.00 57.36 C ATOM 938 CH2 TRP A 98 12.039 16.102 21.743 1.00 55.86 C ATOM 939 HE1 TRP A 98 15.538 13.766 22.086 1.00 0.00 H ATOM 940 H TRP A 98 17.517 17.581 16.389 1.00 0.00 H ATOM 941 N ARG A 99 16.936 18.194 20.687 1.00 67.50 N ATOM 942 CA ARG A 99 17.563 18.130 22.017 1.00 66.29 C ATOM 943 C ARG A 99 16.456 17.905 23.073 1.00 67.44 C ATOM 944 O ARG A 99 15.317 18.340 22.864 1.00 58.35 O ATOM 945 CB ARG A 99 18.336 19.419 22.312 1.00 66.19 C ATOM 946 CG ARG A 99 17.486 20.674 22.257 1.00 69.35 C ATOM 947 CD ARG A 99 18.302 21.950 22.164 1.00 73.36 C ATOM 948 NE ARG A 99 17.458 23.093 21.781 1.00 77.23 N ATOM 949 CZ ARG A 99 16.982 23.335 20.550 1.00 79.07 C ATOM 950 NH1 ARG A 99 17.240 22.518 19.526 1.00 81.00 N ATOM 951 NH2 ARG A 99 16.227 24.413 20.331 1.00 76.51 N ATOM 952 HE ARG A 99 17.209 23.772 22.529 1.00 0.00 H ATOM 953 HH12 ARG A 99 16.858 22.730 18.582 1.00 0.00 H ATOM 954 HH11 ARG A 99 17.823 21.669 19.672 1.00 0.00 H ATOM 955 HH22 ARG A 99 15.856 24.603 19.378 1.00 0.00 H ATOM 956 HH21 ARG A 99 16.009 25.063 21.113 1.00 0.00 H ATOM 957 H ARG A 99 16.014 18.669 20.606 1.00 0.00 H ATOM 958 N PRO A 100 16.781 17.258 24.214 1.00 70.04 N ATOM 959 CA PRO A 100 15.712 16.906 25.159 1.00 68.90 C ATOM 960 C PRO A 100 15.056 18.061 25.930 1.00 64.30 C ATOM 961 O PRO A 100 14.134 17.807 26.674 1.00 65.87 O ATOM 962 CB PRO A 100 16.394 15.925 26.133 1.00 69.92 C ATOM 963 CG PRO A 100 17.738 15.632 25.553 1.00 73.36 C ATOM 964 CD PRO A 100 18.094 16.834 24.729 1.00 72.07 C ATOM 965 N SER A 101 15.518 19.300 25.766 1.00 67.44 N ATOM 966 CA SER A 101 14.801 20.473 26.276 1.00 66.92 C ATOM 967 C SER A 101 13.656 20.927 25.356 1.00 67.24 C ATOM 968 O SER A 101 12.946 21.883 25.680 1.00 70.71 O ATOM 969 CB SER A 101 15.780 21.635 26.509 1.00 73.99 C ATOM 970 OG SER A 101 16.484 21.981 25.325 1.00 77.99 O ATOM 971 HG SER A 101 17.102 22.730 25.517 1.00 0.00 H ATOM 972 H SER A 101 16.416 19.440 25.260 1.00 0.00 H ATOM 973 N LEU A 102 13.504 20.289 24.194 1.00 66.02 N ATOM 974 CA LEU A 102 12.287 20.427 23.383 1.00 65.96 C ATOM 975 C LEU A 102 11.266 19.370 23.811 1.00 60.56 C ATOM 976 O LEU A 102 11.564 18.506 24.631 1.00 59.06 O ATOM 977 CB LEU A 102 12.606 20.280 21.889 1.00 66.04 C ATOM 978 CG LEU A 102 13.638 21.254 21.312 1.00 65.09 C ATOM 979 CD1 LEU A 102 13.882 20.936 19.843 1.00 62.67 C ATOM 980 CD2 LEU A 102 13.203 22.705 21.485 1.00 63.52 C ATOM 981 H LEU A 102 14.271 19.675 23.852 1.00 0.00 H ATOM 982 N ASN A 103 10.063 19.462 23.257 1.00 57.63 N ATOM 983 CA ASN A 103 8.977 18.526 23.558 1.00 55.40 C ATOM 984 C ASN A 103 8.020 18.388 22.363 1.00 54.72 C ATOM 985 O ASN A 103 8.227 19.016 21.310 1.00 51.81 O ATOM 986 CB ASN A 103 8.230 19.002 24.812 1.00 56.03 C ATOM 987 CG ASN A 103 7.740 20.431 24.687 1.00 58.21 C ATOM 988 OD1 ASN A 103 7.107 20.790 23.701 1.00 62.36 O ATOM 989 ND2 ASN A 103 8.039 21.252 25.675 1.00 59.83 N ATOM 990 HD22 ASN A 103 8.578 20.905 26.494 1.00 0.00 H ATOM 991 HD21 ASN A 103 7.735 22.246 25.635 1.00 0.00 H ATOM 992 H ASN A 103 9.884 20.231 22.580 1.00 0.00 H ATOM 993 N ILE A 104 6.976 17.576 22.540 1.00 49.50 N ATOM 994 CA ILE A 104 6.006 17.301 21.484 1.00 48.04 C ATOM 995 C ILE A 104 5.309 18.577 21.015 1.00 45.58 C ATOM 996 O ILE A 104 5.131 18.785 19.822 1.00 46.50 O ATOM 997 CB ILE A 104 4.987 16.215 21.919 1.00 47.51 C ATOM 998 CG1 ILE A 104 5.695 14.860 22.080 1.00 48.27 C ATOM 999 CG2 ILE A 104 3.871 16.057 20.890 1.00 47.49 C ATOM 1000 CD1 ILE A 104 5.017 13.917 23.045 1.00 50.00 C ATOM 1001 H ILE A 104 6.848 17.121 23.467 1.00 0.00 H ATOM 1002 N ALA A 105 4.945 19.439 21.947 1.00 48.26 N ATOM 1003 CA ALA A 105 4.269 20.695 21.612 1.00 48.26 C ATOM 1004 C ALA A 105 5.116 21.612 20.753 1.00 46.45 C ATOM 1005 O ALA A 105 4.617 22.207 19.798 1.00 46.17 O ATOM 1006 CB ALA A 105 3.846 21.421 22.886 1.00 50.83 C ATOM 1007 H ALA A 105 5.143 19.221 22.944 1.00 0.00 H ATOM 1008 N THR A 106 6.401 21.721 21.082 1.00 50.03 N ATOM 1009 CA THR A 106 7.285 22.612 20.329 1.00 52.09 C ATOM 1010 C THR A 106 7.530 22.116 18.911 1.00 48.78 C ATOM 1011 O THR A 106 7.527 22.936 17.994 1.00 50.10 O ATOM 1012 CB THR A 106 8.611 22.915 21.047 1.00 54.88 C ATOM 1013 OG1 THR A 106 9.338 21.706 21.274 1.00 58.55 O ATOM 1014 CG2 THR A 106 8.328 23.623 22.387 1.00 58.65 C ATOM 1015 HG1 THR A 106 8.796 21.097 21.836 1.00 0.00 H ATOM 1016 H THR A 106 6.779 21.170 21.879 1.00 0.00 H ATOM 1017 N VAL A 107 7.685 20.801 18.711 1.00 44.99 N ATOM 1018 CA VAL A 107 7.849 20.293 17.346 1.00 45.68 C ATOM 1019 C VAL A 107 6.558 20.420 16.516 1.00 44.86 C ATOM 1020 O VAL A 107 6.626 20.743 15.330 1.00 44.89 O ATOM 1021 CB VAL A 107 8.491 18.886 17.245 1.00 46.78 C ATOM 1022 CG1 VAL A 107 9.835 18.878 17.946 1.00 50.10 C ATOM 1023 CG2 VAL A 107 7.601 17.791 17.790 1.00 49.17 C ATOM 1024 H VAL A 107 7.689 20.145 19.518 1.00 0.00 H ATOM 1025 N LEU A 108 5.390 20.203 17.124 1.00 44.31 N ATOM 1026 CA LEU A 108 4.131 20.418 16.397 1.00 41.72 C ATOM 1027 C LEU A 108 4.004 21.886 15.953 1.00 41.35 C ATOM 1028 O LEU A 108 3.649 22.171 14.808 1.00 40.85 O ATOM 1029 CB LEU A 108 2.927 19.971 17.236 1.00 43.60 C ATOM 1030 CG LEU A 108 2.864 18.454 17.496 1.00 45.12 C ATOM 1031 CD1 LEU A 108 1.896 18.140 18.625 1.00 45.58 C ATOM 1032 CD2 LEU A 108 2.486 17.680 16.247 1.00 44.97 C ATOM 1033 H LEU A 108 5.371 19.882 18.113 1.00 0.00 H ATOM 1034 N THR A 109 4.333 22.808 16.844 1.00 41.32 N ATOM 1035 CA THR A 109 4.402 24.224 16.493 1.00 50.26 C ATOM 1036 C THR A 109 5.408 24.503 15.342 1.00 51.72 C ATOM 1037 O THR A 109 5.145 25.341 14.483 1.00 53.74 O ATOM 1038 CB THR A 109 4.752 25.068 17.752 1.00 55.21 C ATOM 1039 OG1 THR A 109 3.801 24.789 18.793 1.00 56.75 O ATOM 1040 CG2 THR A 109 4.734 26.557 17.457 1.00 54.11 C ATOM 1041 HG1 THR A 109 3.835 23.826 19.020 1.00 0.00 H ATOM 1042 H THR A 109 4.548 22.517 17.819 1.00 0.00 H ATOM 1043 N SER A 110 6.545 23.809 15.317 1.00 48.69 N ATOM 1044 CA SER A 110 7.507 23.958 14.198 1.00 50.10 C ATOM 1045 C SER A 110 6.957 23.452 12.869 1.00 49.73 C ATOM 1046 O SER A 110 7.170 24.086 11.835 1.00 51.45 O ATOM 1047 CB SER A 110 8.820 23.240 14.483 1.00 48.19 C ATOM 1048 OG SER A 110 9.370 23.697 15.692 1.00 49.01 O ATOM 1049 HG SER A 110 8.735 23.518 16.430 1.00 0.00 H ATOM 1050 H SER A 110 6.761 23.153 16.094 1.00 0.00 H ATOM 1051 N ILE A 111 6.269 22.310 12.900 1.00 44.41 N ATOM 1052 CA ILE A 111 5.586 21.785 11.711 1.00 45.88 C ATOM 1053 C ILE A 111 4.536 22.777 11.195 1.00 48.21 C ATOM 1054 O ILE A 111 4.379 22.956 9.986 1.00 51.84 O ATOM 1055 CB ILE A 111 4.917 20.427 11.992 1.00 43.37 C ATOM 1056 CG1 ILE A 111 5.984 19.361 12.278 1.00 41.93 C ATOM 1057 CG2 ILE A 111 4.064 19.991 10.809 1.00 42.46 C ATOM 1058 CD1 ILE A 111 5.466 18.131 12.988 1.00 43.20 C ATOM 1059 H ILE A 111 6.215 21.776 13.791 1.00 0.00 H ATOM 1060 N GLN A 112 3.820 23.405 12.119 1.00 52.07 N ATOM 1061 CA GLN A 112 2.863 24.472 11.794 1.00 56.13 C ATOM 1062 C GLN A 112 3.537 25.681 11.132 1.00 53.12 C ATOM 1063 O GLN A 112 3.001 26.249 10.183 1.00 51.34 O ATOM 1064 CB GLN A 112 2.143 24.914 13.067 1.00 58.82 C ATOM 1065 CG GLN A 112 1.078 25.985 12.885 1.00 62.51 C ATOM 1066 CD GLN A 112 0.458 26.379 14.214 1.00 63.73 C ATOM 1067 OE1 GLN A 112 1.143 26.906 15.095 1.00 59.16 O ATOM 1068 NE2 GLN A 112 -0.837 26.117 14.371 1.00 65.22 N ATOM 1069 HE22 GLN A 112 -1.375 25.671 13.600 1.00 0.00 H ATOM 1070 HE21 GLN A 112 -1.312 26.358 15.264 1.00 0.00 H ATOM 1071 H GLN A 112 3.941 23.131 13.115 1.00 0.00 H ATOM 1072 N LEU A 113 4.695 26.072 11.653 1.00 54.56 N ATOM 1073 CA LEU A 113 5.488 27.152 11.066 1.00 58.21 C ATOM 1074 C LEU A 113 6.012 26.771 9.671 1.00 59.77 C ATOM 1075 O LEU A 113 5.963 27.584 8.741 1.00 57.67 O ATOM 1076 CB LEU A 113 6.651 27.528 11.987 1.00 60.16 C ATOM 1077 CG LEU A 113 7.618 28.625 11.512 1.00 65.98 C ATOM 1078 CD1 LEU A 113 6.878 29.901 11.129 1.00 66.67 C ATOM 1079 CD2 LEU A 113 8.668 28.908 12.577 1.00 66.05 C ATOM 1080 H LEU A 113 5.049 25.594 12.506 1.00 0.00 H ATOM 1081 N LEU A 114 6.502 25.538 9.537 1.00 57.92 N ATOM 1082 CA LEU A 114 6.910 24.991 8.236 1.00 55.02 C ATOM 1083 C LEU A 114 5.797 25.084 7.185 1.00 53.95 C ATOM 1084 O LEU A 114 6.078 25.362 6.018 1.00 54.91 O ATOM 1085 CB LEU A 114 7.369 23.535 8.388 1.00 55.16 C ATOM 1086 CG LEU A 114 8.003 22.847 7.178 1.00 57.44 C ATOM 1087 CD1 LEU A 114 9.362 23.472 6.865 1.00 56.34 C ATOM 1088 CD2 LEU A 114 8.141 21.344 7.419 1.00 57.68 C ATOM 1089 H LEU A 114 6.599 24.942 10.384 1.00 0.00 H ATOM 1090 N MET A 115 4.548 24.857 7.597 1.00 54.31 N ATOM 1091 CA MET A 115 3.386 24.977 6.698 1.00 56.56 C ATOM 1092 C MET A 115 3.171 26.403 6.186 1.00 62.86 C ATOM 1093 O MET A 115 2.779 26.591 5.033 1.00 62.63 O ATOM 1094 CB MET A 115 2.106 24.474 7.379 1.00 56.27 C ATOM 1095 CG MET A 115 2.049 22.961 7.507 1.00 57.56 C ATOM 1096 SD MET A 115 0.793 22.357 8.659 1.00 56.49 S ATOM 1097 CE MET A 115 -0.721 22.971 7.923 1.00 60.78 C ATOM 1098 H MET A 115 4.389 24.586 8.588 1.00 0.00 H ATOM 1099 N SER A 116 3.417 27.398 7.038 1.00 67.77 N ATOM 1100 CA SER A 116 3.363 28.812 6.629 1.00 70.60 C ATOM 1101 C SER A 116 4.561 29.227 5.786 1.00 68.81 C ATOM 1102 O SER A 116 4.417 30.030 4.869 1.00 67.13 O ATOM 1103 CB SER A 116 3.315 29.730 7.853 1.00 71.18 C ATOM 1104 OG SER A 116 2.221 29.403 8.684 1.00 77.80 O ATOM 1105 HG SER A 116 2.210 30.008 9.467 1.00 0.00 H ATOM 1106 H SER A 116 3.655 27.168 8.024 1.00 0.00 H ATOM 1107 N GLU A 117 5.738 28.700 6.123 1.00 66.38 N ATOM 1108 CA GLU A 117 7.007 29.197 5.590 1.00 69.36 C ATOM 1109 C GLU A 117 7.931 28.041 5.161 1.00 62.93 C ATOM 1110 O GLU A 117 8.852 27.675 5.892 1.00 62.08 O ATOM 1111 CB GLU A 117 7.673 30.101 6.635 1.00 75.71 C ATOM 1112 CG GLU A 117 6.789 31.278 7.050 1.00 86.70 C ATOM 1113 CD GLU A 117 7.423 32.226 8.055 1.00 95.35 C ATOM 1114 OE1 GLU A 117 8.431 31.860 8.701 1.00 99.27 O ATOM 1115 OE2 GLU A 117 6.889 33.348 8.211 1.00101.20 O ATOM 1116 H GLU A 117 5.755 27.904 6.792 1.00 0.00 H ATOM 1117 N PRO A 118 7.683 27.463 3.964 1.00 61.04 N ATOM 1118 CA PRO A 118 8.493 26.350 3.431 1.00 60.12 C ATOM 1119 C PRO A 118 9.980 26.645 3.238 1.00 59.70 C ATOM 1120 O PRO A 118 10.361 27.804 3.158 1.00 61.45 O ATOM 1121 CB PRO A 118 7.848 26.068 2.077 1.00 60.55 C ATOM 1122 CG PRO A 118 6.450 26.555 2.199 1.00 60.24 C ATOM 1123 CD PRO A 118 6.528 27.756 3.087 1.00 60.26 C ATOM 1124 N ASN A 119 10.801 25.595 3.190 1.00 63.26 N ATOM 1125 CA ASN A 119 12.235 25.697 2.862 1.00 67.71 C ATOM 1126 C ASN A 119 12.546 24.959 1.551 1.00 71.00 C ATOM 1127 O ASN A 119 12.736 23.740 1.569 1.00 71.39 O ATOM 1128 CB ASN A 119 13.101 25.098 3.978 1.00 69.37 C ATOM 1129 CG ASN A 119 12.819 25.697 5.336 1.00 75.73 C ATOM 1130 OD1 ASN A 119 12.654 24.967 6.318 1.00 74.75 O ATOM 1131 ND2 ASN A 119 12.765 27.026 5.410 1.00 80.04 N ATOM 1132 HD22 ASN A 119 12.910 27.601 4.556 1.00 0.00 H ATOM 1133 HD21 ASN A 119 12.577 27.489 6.322 1.00 0.00 H ATOM 1134 H ASN A 119 10.409 24.654 3.395 1.00 0.00 H ATOM 1135 N PRO A 120 12.586 25.675 0.404 1.00 80.54 N ATOM 1136 CA PRO A 120 12.985 25.020 -0.869 1.00 84.86 C ATOM 1137 C PRO A 120 14.486 24.650 -0.975 1.00 85.21 C ATOM 1138 O PRO A 120 14.863 23.866 -1.849 1.00 80.92 O ATOM 1139 CB PRO A 120 12.596 26.051 -1.943 1.00 82.40 C ATOM 1140 CG PRO A 120 11.689 27.014 -1.260 1.00 84.06 C ATOM 1141 CD PRO A 120 12.134 27.056 0.171 1.00 81.19 C ATOM 1142 N ASP A 121 15.320 25.237 -0.118 1.00 87.62 N ATOM 1143 CA ASP A 121 16.715 24.810 0.066 1.00 94.24 C ATOM 1144 C ASP A 121 16.898 23.317 0.405 1.00 94.78 C ATOM 1145 O ASP A 121 17.876 22.707 -0.042 1.00102.47 O ATOM 1146 CB ASP A 121 17.406 25.676 1.140 1.00103.33 C ATOM 1147 CG ASP A 121 16.631 25.726 2.472 1.00110.17 C ATOM 1148 OD1 ASP A 121 16.030 26.783 2.776 1.00111.14 O ATOM 1149 OD2 ASP A 121 16.617 24.715 3.210 1.00116.16 O ATOM 1150 H ASP A 121 14.968 26.035 0.448 1.00 0.00 H ATOM 1151 N ASP A 122 15.969 22.749 1.188 1.00 90.56 N ATOM 1152 CA ASP A 122 16.007 21.332 1.612 1.00 89.66 C ATOM 1153 C ASP A 122 14.701 20.600 1.254 1.00 80.90 C ATOM 1154 O ASP A 122 13.947 20.178 2.138 1.00 77.79 O ATOM 1155 CB ASP A 122 16.295 21.227 3.123 1.00 93.10 C ATOM 1156 CG ASP A 122 17.779 21.396 3.466 1.00 97.45 C ATOM 1157 OD1 ASP A 122 18.638 21.441 2.550 1.00 96.66 O ATOM 1158 OD2 ASP A 122 18.084 21.468 4.675 1.00 98.03 O ATOM 1159 H ASP A 122 15.177 23.338 1.516 1.00 0.00 H ATOM 1160 N PRO A 123 14.449 20.419 -0.055 1.00 73.30 N ATOM 1161 CA PRO A 123 13.177 19.887 -0.502 1.00 71.07 C ATOM 1162 C PRO A 123 13.122 18.366 -0.442 1.00 67.75 C ATOM 1163 O PRO A 123 14.157 17.697 -0.462 1.00 68.76 O ATOM 1164 CB PRO A 123 13.123 20.346 -1.959 1.00 75.22 C ATOM 1165 CG PRO A 123 14.550 20.272 -2.405 1.00 74.38 C ATOM 1166 CD PRO A 123 15.399 20.532 -1.182 1.00 74.33 C ATOM 1167 N LEU A 124 11.910 17.843 -0.344 1.00 61.25 N ATOM 1168 CA LEU A 124 11.642 16.416 -0.488 1.00 57.92 C ATOM 1169 C LEU A 124 10.850 16.126 -1.760 1.00 55.26 C ATOM 1170 O LEU A 124 10.832 14.985 -2.225 1.00 54.95 O ATOM 1171 CB LEU A 124 10.867 15.925 0.736 1.00 57.27 C ATOM 1172 CG LEU A 124 11.317 14.646 1.412 1.00 58.77 C ATOM 1173 CD1 LEU A 124 12.812 14.678 1.742 1.00 59.54 C ATOM 1174 CD2 LEU A 124 10.492 14.444 2.678 1.00 60.15 C ATOM 1175 H LEU A 124 11.110 18.480 -0.155 1.00 0.00 H ATOM 1176 N MET A 125 10.172 17.149 -2.286 1.00 51.99 N ATOM 1177 CA MET A 125 9.417 17.078 -3.526 1.00 53.41 C ATOM 1178 C MET A 125 9.996 18.133 -4.461 1.00 53.05 C ATOM 1179 O MET A 125 9.704 19.329 -4.315 1.00 50.89 O ATOM 1180 CB MET A 125 7.933 17.350 -3.247 1.00 51.24 C ATOM 1181 CG MET A 125 7.316 16.386 -2.260 1.00 51.02 C ATOM 1182 SD MET A 125 7.302 14.696 -2.879 1.00 54.28 S ATOM 1183 CE MET A 125 5.823 14.745 -3.881 1.00 54.52 C ATOM 1184 H MET A 125 10.185 18.055 -1.776 1.00 0.00 H ATOM 1185 N ALA A 126 10.824 17.678 -5.407 1.00 52.81 N ATOM 1186 CA ALA A 126 11.623 18.573 -6.254 1.00 54.05 C ATOM 1187 C ALA A 126 10.773 19.392 -7.231 1.00 53.93 C ATOM 1188 O ALA A 126 10.997 20.591 -7.371 1.00 50.13 O ATOM 1189 CB ALA A 126 12.707 17.806 -6.989 1.00 53.73 C ATOM 1190 H ALA A 126 10.905 16.651 -5.548 1.00 0.00 H ATOM 1191 N ASP A 127 9.783 18.764 -7.864 1.00 55.24 N ATOM 1192 CA ASP A 127 8.861 19.494 -8.742 1.00 59.21 C ATOM 1193 C ASP A 127 8.029 20.532 -7.995 1.00 59.13 C ATOM 1194 O ASP A 127 7.850 21.647 -8.490 1.00 62.89 O ATOM 1195 CB ASP A 127 7.920 18.542 -9.497 1.00 64.62 C ATOM 1196 CG ASP A 127 8.639 17.706 -10.567 1.00 70.31 C ATOM 1197 OD1 ASP A 127 9.893 17.762 -10.672 1.00 71.03 O ATOM 1198 OD2 ASP A 127 7.932 16.988 -11.314 1.00 70.68 O ATOM 1199 H ASP A 127 9.662 17.739 -7.734 1.00 0.00 H ATOM 1200 N ILE A 128 7.517 20.184 -6.814 1.00 57.09 N ATOM 1201 CA ILE A 128 6.750 21.158 -6.018 1.00 54.77 C ATOM 1202 C ILE A 128 7.660 22.305 -5.584 1.00 51.18 C ATOM 1203 O ILE A 128 7.274 23.456 -5.653 1.00 50.26 O ATOM 1204 CB ILE A 128 6.068 20.525 -4.791 1.00 55.62 C ATOM 1205 CG1 ILE A 128 5.062 19.466 -5.242 1.00 55.51 C ATOM 1206 CG2 ILE A 128 5.331 21.585 -3.977 1.00 55.74 C ATOM 1207 CD1 ILE A 128 4.554 18.590 -4.121 1.00 56.00 C ATOM 1208 H ILE A 128 7.660 19.219 -6.453 1.00 0.00 H ATOM 1209 N SER A 129 8.871 21.972 -5.156 1.00 53.62 N ATOM 1210 CA SER A 129 9.875 22.966 -4.759 1.00 54.79 C ATOM 1211 C SER A 129 10.252 23.993 -5.850 1.00 56.18 C ATOM 1212 O SER A 129 10.392 25.185 -5.550 1.00 61.13 O ATOM 1213 CB SER A 129 11.127 22.253 -4.262 1.00 56.49 C ATOM 1214 OG SER A 129 12.046 23.182 -3.732 1.00 65.36 O ATOM 1215 HG SER A 129 12.302 23.830 -4.436 1.00 0.00 H ATOM 1216 H SER A 129 9.119 20.964 -5.099 1.00 0.00 H ATOM 1217 N SER A 130 10.417 23.541 -7.093 1.00 51.86 N ATOM 1218 CA SER A 130 10.680 24.457 -8.217 1.00 54.16 C ATOM 1219 C SER A 130 9.476 25.336 -8.553 1.00 52.48 C ATOM 1220 O SER A 130 9.629 26.518 -8.814 1.00 52.41 O ATOM 1221 CB SER A 130 11.114 23.679 -9.455 1.00 55.37 C ATOM 1222 OG SER A 130 12.433 23.197 -9.283 1.00 58.77 O ATOM 1223 HG SER A 130 12.707 22.694 -10.090 1.00 0.00 H ATOM 1224 H SER A 130 10.359 22.518 -7.274 1.00 0.00 H ATOM 1225 N GLU A 131 8.285 24.747 -8.552 1.00 50.40 N ATOM 1226 CA GLU A 131 7.044 25.497 -8.717 1.00 53.07 C ATOM 1227 C GLU A 131 6.896 26.607 -7.660 1.00 58.20 C ATOM 1228 O GLU A 131 6.445 27.708 -7.982 1.00 58.18 O ATOM 1229 CB GLU A 131 5.847 24.543 -8.661 1.00 55.43 C ATOM 1230 CG GLU A 131 4.497 25.129 -9.026 1.00 57.30 C ATOM 1231 CD GLU A 131 3.376 24.097 -8.884 1.00 64.30 C ATOM 1232 OE1 GLU A 131 3.157 23.608 -7.758 1.00 69.94 O ATOM 1233 OE2 GLU A 131 2.712 23.758 -9.889 1.00 65.89 O ATOM 1234 H GLU A 131 8.235 23.715 -8.429 1.00 0.00 H ATOM 1235 N PHE A 132 7.276 26.315 -6.412 1.00 56.64 N ATOM 1236 CA PHE A 132 7.221 27.293 -5.320 1.00 56.89 C ATOM 1237 C PHE A 132 8.163 28.472 -5.583 1.00 60.20 C ATOM 1238 O PHE A 132 7.767 29.620 -5.408 1.00 64.61 O ATOM 1239 CB PHE A 132 7.574 26.617 -3.984 1.00 57.69 C ATOM 1240 CG PHE A 132 7.559 27.538 -2.794 1.00 56.84 C ATOM 1241 CD1 PHE A 132 6.401 27.716 -2.049 1.00 59.58 C ATOM 1242 CD2 PHE A 132 8.708 28.219 -2.401 1.00 61.63 C ATOM 1243 CE1 PHE A 132 6.384 28.556 -0.941 1.00 59.01 C ATOM 1244 CE2 PHE A 132 8.696 29.072 -1.297 1.00 60.88 C ATOM 1245 CZ PHE A 132 7.533 29.238 -0.564 1.00 58.55 C ATOM 1246 H PHE A 132 7.624 25.357 -6.207 1.00 0.00 H ATOM 1247 N LYS A 133 9.401 28.189 -5.989 1.00 64.68 N ATOM 1248 CA LYS A 133 10.376 29.251 -6.287 1.00 67.87 C ATOM 1249 C LYS A 133 10.019 30.081 -7.524 1.00 69.19 C ATOM 1250 O LYS A 133 10.067 31.305 -7.472 1.00 71.54 O ATOM 1251 CB LYS A 133 11.775 28.681 -6.499 1.00 68.34 C ATOM 1252 CG LYS A 133 12.402 28.065 -5.265 1.00 74.33 C ATOM 1253 CD LYS A 133 13.803 27.528 -5.547 1.00 79.40 C ATOM 1254 CE LYS A 133 14.754 28.635 -5.989 1.00 83.66 C ATOM 1255 NZ LYS A 133 16.180 28.287 -5.745 1.00 87.02 N ATOM 1256 HZ1 LYS A 133 16.327 28.123 -4.729 1.00 0.00 H ATOM 1257 HZ2 LYS A 133 16.421 27.425 -6.275 1.00 0.00 H ATOM 1258 HZ3 LYS A 133 16.786 29.071 -6.062 1.00 0.00 H ATOM 1259 H LYS A 133 9.685 27.194 -6.098 1.00 0.00 H ATOM 1260 N TYR A 134 9.658 29.412 -8.620 1.00 67.28 N ATOM 1261 CA TYR A 134 9.613 30.049 -9.946 1.00 65.85 C ATOM 1262 C TYR A 134 8.226 30.349 -10.516 1.00 66.45 C ATOM 1263 O TYR A 134 8.112 31.082 -11.495 1.00 73.63 O ATOM 1264 CB TYR A 134 10.389 29.189 -10.938 1.00 63.42 C ATOM 1265 CG TYR A 134 11.836 28.968 -10.544 1.00 60.99 C ATOM 1266 CD1 TYR A 134 12.700 30.041 -10.373 1.00 61.54 C ATOM 1267 CD2 TYR A 134 12.345 27.688 -10.362 1.00 60.91 C ATOM 1268 CE1 TYR A 134 14.026 29.848 -10.014 1.00 61.79 C ATOM 1269 CE2 TYR A 134 13.672 27.485 -10.010 1.00 62.75 C ATOM 1270 CZ TYR A 134 14.506 28.570 -9.836 1.00 62.20 C ATOM 1271 OH TYR A 134 15.821 28.382 -9.485 1.00 71.52 O ATOM 1272 HH TYR A 134 16.269 29.261 -9.404 1.00 0.00 H ATOM 1273 H TYR A 134 9.400 28.408 -8.535 1.00 0.00 H ATOM 1274 N ASN A 135 7.182 29.782 -9.928 1.00 64.90 N ATOM 1275 CA ASN A 135 5.820 30.010 -10.401 1.00 68.08 C ATOM 1276 C ASN A 135 4.897 29.998 -9.191 1.00 68.32 C ATOM 1277 O ASN A 135 3.962 29.187 -9.089 1.00 64.09 O ATOM 1278 CB ASN A 135 5.435 28.950 -11.448 1.00 71.44 C ATOM 1279 CG ASN A 135 4.074 29.207 -12.096 1.00 71.40 C ATOM 1280 OD1 ASN A 135 3.475 30.267 -11.933 1.00 71.59 O ATOM 1281 ND2 ASN A 135 3.585 28.222 -12.839 1.00 71.13 N ATOM 1282 HD22 ASN A 135 4.123 27.339 -12.952 1.00 0.00 H ATOM 1283 HD21 ASN A 135 2.663 28.333 -13.308 1.00 0.00 H ATOM 1284 H ASN A 135 7.337 29.159 -9.110 1.00 0.00 H ATOM 1285 N LYS A 136 5.186 30.926 -8.279 1.00 71.64 N ATOM 1286 CA LYS A 136 4.494 31.026 -6.995 1.00 73.93 C ATOM 1287 C LYS A 136 2.949 31.007 -7.094 1.00 73.52 C ATOM 1288 O LYS A 136 2.314 30.294 -6.330 1.00 73.09 O ATOM 1289 CB LYS A 136 5.014 32.244 -6.199 1.00 77.56 C ATOM 1290 CG LYS A 136 4.443 32.426 -4.789 1.00 79.98 C ATOM 1291 CD LYS A 136 4.498 31.154 -3.946 1.00 83.15 C ATOM 1292 CE LYS A 136 4.055 31.375 -2.506 1.00 81.15 C ATOM 1293 NZ LYS A 136 5.154 31.907 -1.655 1.00 81.84 N ATOM 1294 HZ1 LYS A 136 5.945 31.232 -1.650 1.00 0.00 H ATOM 1295 HZ2 LYS A 136 5.477 32.818 -2.038 1.00 0.00 H ATOM 1296 HZ3 LYS A 136 4.805 32.041 -0.684 1.00 0.00 H ATOM 1297 H LYS A 136 5.939 31.611 -8.491 1.00 0.00 H ATOM 1298 N PRO A 137 2.345 31.745 -8.053 1.00 76.53 N ATOM 1299 CA PRO A 137 0.876 31.703 -8.164 1.00 71.94 C ATOM 1300 C PRO A 137 0.290 30.318 -8.444 1.00 69.68 C ATOM 1301 O PRO A 137 -0.783 30.003 -7.935 1.00 70.45 O ATOM 1302 CB PRO A 137 0.581 32.643 -9.341 1.00 75.05 C ATOM 1303 CG PRO A 137 1.766 33.541 -9.425 1.00 77.21 C ATOM 1304 CD PRO A 137 2.933 32.695 -9.019 1.00 77.70 C ATOM 1305 N ALA A 138 0.982 29.510 -9.245 1.00 67.42 N ATOM 1306 CA ALA A 138 0.529 28.144 -9.556 1.00 68.83 C ATOM 1307 C ALA A 138 0.665 27.175 -8.369 1.00 66.72 C ATOM 1308 O ALA A 138 -0.135 26.228 -8.234 1.00 62.50 O ATOM 1309 CB ALA A 138 1.291 27.601 -10.755 1.00 70.87 C ATOM 1310 H ALA A 138 1.870 29.854 -9.664 1.00 0.00 H ATOM 1311 N PHE A 139 1.695 27.391 -7.546 1.00 62.90 N ATOM 1312 CA PHE A 139 1.869 26.633 -6.308 1.00 67.24 C ATOM 1313 C PHE A 139 0.670 26.861 -5.399 1.00 70.21 C ATOM 1314 O PHE A 139 0.080 25.908 -4.880 1.00 62.03 O ATOM 1315 CB PHE A 139 3.157 27.021 -5.565 1.00 66.16 C ATOM 1316 CG PHE A 139 3.218 26.484 -4.155 1.00 71.99 C ATOM 1317 CD1 PHE A 139 3.528 25.145 -3.917 1.00 69.97 C ATOM 1318 CD2 PHE A 139 2.929 27.305 -3.061 1.00 72.03 C ATOM 1319 CE1 PHE A 139 3.564 24.640 -2.623 1.00 69.38 C ATOM 1320 CE2 PHE A 139 2.960 26.800 -1.765 1.00 73.16 C ATOM 1321 CZ PHE A 139 3.283 25.467 -1.546 1.00 71.27 C ATOM 1322 H PHE A 139 2.394 28.120 -7.793 1.00 0.00 H ATOM 1323 N LEU A 140 0.320 28.136 -5.227 1.00 72.87 N ATOM 1324 CA LEU A 140 -0.773 28.536 -4.345 1.00 72.52 C ATOM 1325 C LEU A 140 -2.096 27.961 -4.828 1.00 71.74 C ATOM 1326 O LEU A 140 -2.906 27.512 -4.018 1.00 71.63 O ATOM 1327 CB LEU A 140 -0.846 30.062 -4.228 1.00 73.84 C ATOM 1328 CG LEU A 140 0.379 30.734 -3.584 1.00 74.75 C ATOM 1329 CD1 LEU A 140 0.372 32.233 -3.852 1.00 76.14 C ATOM 1330 CD2 LEU A 140 0.472 30.454 -2.089 1.00 74.79 C ATOM 1331 H LEU A 140 0.845 28.873 -5.740 1.00 0.00 H ATOM 1332 N LYS A 141 -2.286 27.925 -6.144 1.00 75.33 N ATOM 1333 CA LYS A 141 -3.495 27.349 -6.727 1.00 80.24 C ATOM 1334 C LYS A 141 -3.586 25.836 -6.459 1.00 79.29 C ATOM 1335 O LYS A 141 -4.642 25.348 -6.049 1.00 80.89 O ATOM 1336 CB LYS A 141 -3.575 27.640 -8.233 1.00 86.30 C ATOM 1337 CG LYS A 141 -4.985 27.522 -8.805 1.00 94.93 C ATOM 1338 CD LYS A 141 -5.001 27.001 -10.239 1.00102.51 C ATOM 1339 CE LYS A 141 -4.744 25.495 -10.302 1.00106.20 C ATOM 1340 NZ LYS A 141 -5.028 24.918 -11.647 1.00106.29 N ATOM 1341 HZ1 LYS A 141 -6.026 25.082 -11.889 1.00 0.00 H ATOM 1342 HZ2 LYS A 141 -4.419 25.375 -12.355 1.00 0.00 H ATOM 1343 HZ3 LYS A 141 -4.837 23.896 -11.632 1.00 0.00 H ATOM 1344 H LYS A 141 -1.556 28.316 -6.773 1.00 0.00 H ATOM 1345 N ASN A 142 -2.490 25.107 -6.676 1.00 76.41 N ATOM 1346 CA ASN A 142 -2.472 23.655 -6.439 1.00 74.79 C ATOM 1347 C ASN A 142 -2.641 23.278 -4.962 1.00 71.51 C ATOM 1348 O ASN A 142 -3.372 22.339 -4.640 1.00 66.65 O ATOM 1349 CB ASN A 142 -1.194 23.019 -6.994 1.00 75.97 C ATOM 1350 CG ASN A 142 -1.154 23.006 -8.510 1.00 75.31 C ATOM 1351 OD1 ASN A 142 -0.184 23.454 -9.115 1.00 72.56 O ATOM 1352 ND2 ASN A 142 -2.207 22.481 -9.130 1.00 76.78 N ATOM 1353 HD22 ASN A 142 -3.007 22.113 -8.576 1.00 0.00 H ATOM 1354 HD21 ASN A 142 -2.231 22.438 -10.169 1.00 0.00 H ATOM 1355 H ASN A 142 -1.628 25.576 -7.021 1.00 0.00 H ATOM 1356 N ALA A 143 -1.977 24.016 -4.075 1.00 72.58 N ATOM 1357 CA ALA A 143 -2.126 23.813 -2.623 1.00 74.90 C ATOM 1358 C ALA A 143 -3.592 23.952 -2.157 1.00 76.70 C ATOM 1359 O ALA A 143 -4.094 23.097 -1.412 1.00 75.25 O ATOM 1360 CB ALA A 143 -1.216 24.763 -1.853 1.00 69.52 C ATOM 1361 H ALA A 143 -1.334 24.758 -4.417 1.00 0.00 H ATOM 1362 N ARG A 144 -4.272 25.003 -2.624 1.00 76.91 N ATOM 1363 CA ARG A 144 -5.682 25.245 -2.276 1.00 74.34 C ATOM 1364 C ARG A 144 -6.615 24.162 -2.801 1.00 71.62 C ATOM 1365 O ARG A 144 -7.570 23.790 -2.128 1.00 72.04 O ATOM 1366 CB ARG A 144 -6.148 26.624 -2.764 1.00 79.36 C ATOM 1367 CG ARG A 144 -5.599 27.787 -1.943 1.00 84.81 C ATOM 1368 CD ARG A 144 -6.359 29.084 -2.194 1.00 90.62 C ATOM 1369 NE ARG A 144 -6.279 29.520 -3.593 1.00 95.34 N ATOM 1370 CZ ARG A 144 -5.352 30.330 -4.117 1.00 93.45 C ATOM 1371 NH1 ARG A 144 -4.365 30.842 -3.377 1.00 93.34 N ATOM 1372 NH2 ARG A 144 -5.413 30.633 -5.415 1.00 93.13 N ATOM 1373 HE ARG A 144 -7.013 29.165 -4.239 1.00 0.00 H ATOM 1374 HH12 ARG A 144 -3.659 31.469 -3.814 1.00 0.00 H ATOM 1375 HH11 ARG A 144 -4.302 30.614 -2.364 1.00 0.00 H ATOM 1376 HH22 ARG A 144 -4.699 31.261 -5.836 1.00 0.00 H ATOM 1377 HH21 ARG A 144 -6.174 30.241 -6.005 1.00 0.00 H ATOM 1378 H ARG A 144 -3.789 25.673 -3.255 1.00 0.00 H ATOM 1379 N GLN A 145 -6.333 23.662 -3.997 1.00 74.06 N ATOM 1380 CA GLN A 145 -7.086 22.546 -4.567 1.00 77.62 C ATOM 1381 C GLN A 145 -6.865 21.244 -3.799 1.00 77.08 C ATOM 1382 O GLN A 145 -7.816 20.487 -3.559 1.00 78.51 O ATOM 1383 CB GLN A 145 -6.711 22.330 -6.038 1.00 86.36 C ATOM 1384 CG GLN A 145 -7.267 23.376 -6.989 1.00 93.77 C ATOM 1385 CD GLN A 145 -7.129 22.963 -8.447 1.00101.18 C ATOM 1386 OE1 GLN A 145 -6.088 22.449 -8.865 1.00105.17 O ATOM 1387 NE2 GLN A 145 -8.182 23.183 -9.230 1.00104.67 N ATOM 1388 HE22 GLN A 145 -9.040 23.619 -8.837 1.00 0.00 H ATOM 1389 HE21 GLN A 145 -8.147 22.919 -10.235 1.00 0.00 H ATOM 1390 H GLN A 145 -5.553 24.076 -4.546 1.00 0.00 H ATOM 1391 N TRP A 146 -5.607 20.976 -3.444 1.00 75.90 N ATOM 1392 CA TRP A 146 -5.267 19.801 -2.634 1.00 74.73 C ATOM 1393 C TRP A 146 -5.931 19.870 -1.260 1.00 69.04 C ATOM 1394 O TRP A 146 -6.442 18.859 -0.770 1.00 64.41 O ATOM 1395 CB TRP A 146 -3.736 19.599 -2.528 1.00 77.82 C ATOM 1396 CG TRP A 146 -3.257 18.711 -3.614 1.00 82.43 C ATOM 1397 CD1 TRP A 146 -3.200 19.008 -4.947 1.00 85.44 C ATOM 1398 CD2 TRP A 146 -2.840 17.352 -3.487 1.00 84.11 C ATOM 1399 NE1 TRP A 146 -2.755 17.923 -5.658 1.00 88.18 N ATOM 1400 CE2 TRP A 146 -2.524 16.890 -4.789 1.00 89.90 C ATOM 1401 CE3 TRP A 146 -2.689 16.481 -2.403 1.00 82.16 C ATOM 1402 CZ2 TRP A 146 -2.062 15.595 -5.037 1.00 89.27 C ATOM 1403 CZ3 TRP A 146 -2.234 15.189 -2.650 1.00 87.10 C ATOM 1404 CH2 TRP A 146 -1.928 14.759 -3.963 1.00 90.11 C ATOM 1405 HE1 TRP A 146 -2.616 17.890 -6.688 1.00 0.00 H ATOM 1406 H TRP A 146 -4.847 21.617 -3.750 1.00 0.00 H ATOM 1407 N THR A 147 -5.942 21.066 -0.667 1.00 66.70 N ATOM 1408 CA THR A 147 -6.591 21.295 0.622 1.00 69.62 C ATOM 1409 C THR A 147 -8.083 20.953 0.562 1.00 77.60 C ATOM 1410 O THR A 147 -8.560 20.124 1.349 1.00 75.41 O ATOM 1411 CB THR A 147 -6.403 22.749 1.100 1.00 65.91 C ATOM 1412 OG1 THR A 147 -5.005 23.022 1.258 1.00 62.30 O ATOM 1413 CG2 THR A 147 -7.127 22.994 2.429 1.00 65.72 C ATOM 1414 HG1 THR A 147 -4.545 22.897 0.390 1.00 0.00 H ATOM 1415 H THR A 147 -5.471 21.864 -1.140 1.00 0.00 H ATOM 1416 N GLU A 148 -8.791 21.566 -0.393 1.00 82.89 N ATOM 1417 CA GLU A 148 -10.248 21.407 -0.528 1.00 85.27 C ATOM 1418 C GLU A 148 -10.659 19.948 -0.747 1.00 81.65 C ATOM 1419 O GLU A 148 -11.644 19.477 -0.168 1.00 80.68 O ATOM 1420 CB GLU A 148 -10.785 22.288 -1.660 1.00 94.26 C ATOM 1421 CG GLU A 148 -12.291 22.520 -1.615 1.00101.91 C ATOM 1422 CD GLU A 148 -12.842 23.021 -2.940 1.00109.49 C ATOM 1423 OE1 GLU A 148 -12.280 23.995 -3.492 1.00114.28 O ATOM 1424 OE2 GLU A 148 -13.838 22.442 -3.431 1.00108.06 O ATOM 1425 H GLU A 148 -8.292 22.180 -1.068 1.00 0.00 H ATOM 1426 N LYS A 149 -9.887 19.236 -1.559 1.00 76.97 N ATOM 1427 CA LYS A 149 -10.149 17.828 -1.811 1.00 81.20 C ATOM 1428 C LYS A 149 -9.983 16.947 -0.561 1.00 87.18 C ATOM 1429 O LYS A 149 -10.948 16.301 -0.135 1.00 87.10 O ATOM 1430 CB LYS A 149 -9.249 17.315 -2.934 1.00 84.13 C ATOM 1431 CG LYS A 149 -9.536 15.875 -3.333 1.00 89.54 C ATOM 1432 CD LYS A 149 -8.951 15.535 -4.693 1.00 93.37 C ATOM 1433 CE LYS A 149 -9.348 14.130 -5.108 1.00 96.53 C ATOM 1434 NZ LYS A 149 -8.660 13.716 -6.358 1.00 97.56 N ATOM 1435 HZ1 LYS A 149 -8.914 14.370 -7.125 1.00 0.00 H ATOM 1436 HZ2 LYS A 149 -7.631 13.737 -6.209 1.00 0.00 H ATOM 1437 HZ3 LYS A 149 -8.955 12.751 -6.611 1.00 0.00 H ATOM 1438 H LYS A 149 -9.078 19.695 -2.025 1.00 0.00 H ATOM 1439 N HIS A 150 -8.776 16.947 0.024 1.00 85.62 N ATOM 1440 CA HIS A 150 -8.372 15.946 1.039 1.00 78.12 C ATOM 1441 C HIS A 150 -8.506 16.361 2.514 1.00 74.07 C ATOM 1442 O HIS A 150 -8.604 15.493 3.380 1.00 70.39 O ATOM 1443 CB HIS A 150 -6.922 15.526 0.809 1.00 78.34 C ATOM 1444 CG HIS A 150 -6.673 14.877 -0.514 1.00 77.66 C ATOM 1445 ND1 HIS A 150 -6.281 15.589 -1.628 1.00 76.78 N ATOM 1446 CD2 HIS A 150 -6.722 13.578 -0.894 1.00 75.43 C ATOM 1447 CE1 HIS A 150 -6.109 14.757 -2.641 1.00 77.53 C ATOM 1448 NE2 HIS A 150 -6.371 13.531 -2.222 1.00 76.47 N ATOM 1449 H HIS A 150 -8.093 17.683 -0.247 1.00 0.00 H ATOM 1450 N ALA A 151 -8.483 17.662 2.798 1.00 72.90 N ATOM 1451 CA ALA A 151 -8.527 18.170 4.178 1.00 77.18 C ATOM 1452 C ALA A 151 -9.889 18.731 4.634 1.00 86.50 C ATOM 1453 O ALA A 151 -9.950 19.396 5.672 1.00 88.69 O ATOM 1454 CB ALA A 151 -7.454 19.234 4.351 1.00 76.16 C ATOM 1455 H ALA A 151 -8.432 18.344 2.015 1.00 0.00 H ATOM 1456 N ARG A 152 -10.967 18.478 3.881 1.00 95.61 N ATOM 1457 CA ARG A 152 -12.283 19.091 4.161 1.00103.86 C ATOM 1458 C ARG A 152 -13.462 18.150 3.864 1.00108.09 C ATOM 1459 O ARG A 152 -13.506 17.520 2.807 1.00109.34 O ATOM 1460 CB ARG A 152 -12.445 20.386 3.359 1.00103.05 C ATOM 1461 CG ARG A 152 -11.322 21.389 3.570 1.00104.22 C ATOM 1462 CD ARG A 152 -11.561 22.692 2.838 1.00107.62 C ATOM 1463 NE ARG A 152 -12.427 23.598 3.583 1.00115.51 N ATOM 1464 CZ ARG A 152 -12.691 24.859 3.233 1.00120.18 C ATOM 1465 NH1 ARG A 152 -13.497 25.597 3.993 1.00120.31 N ATOM 1466 NH2 ARG A 152 -12.159 25.394 2.133 1.00119.09 N ATOM 1467 HE ARG A 152 -12.872 23.235 4.450 1.00 0.00 H ATOM 1468 HH12 ARG A 152 -13.707 26.580 3.726 1.00 0.00 H ATOM 1469 HH11 ARG A 152 -13.917 25.191 4.853 1.00 0.00 H ATOM 1470 HH22 ARG A 152 -12.376 26.378 1.876 1.00 0.00 H ATOM 1471 HH21 ARG A 152 -11.527 24.827 1.532 1.00 0.00 H ATOM 1472 H ARG A 152 -10.876 17.829 3.073 1.00 0.00 H ATOM 1473 N GLN A 153 -14.406 18.071 4.809 1.00112.01 N ATOM 1474 CA GLN A 153 -15.631 17.264 4.684 1.00113.30 C ATOM 1475 C GLN A 153 -15.331 15.785 4.426 1.00114.43 C ATOM 1476 O GLN A 153 -16.243 14.970 4.298 1.00116.67 O ATOM 1477 CB GLN A 153 -16.553 17.832 3.592 1.00109.93 C ATOM 1478 H GLN A 153 -14.266 18.613 5.686 1.00 0.00 H TER 1479 GLN A 153 HETATM 1480 O HOH 1 -4.062 18.789 1.045 1.00 58.06 O HETATM 1481 O HOH 2 8.517 12.075 9.055 1.00 45.31 O HETATM 1482 O HOH 3 3.665 17.205 -0.853 1.00 49.50 O HETATM 1483 O HOH 4 11.309 29.150 6.151 1.00 65.54 O HETATM 1484 O HOH 5 -2.064 22.599 33.071 1.00 63.91 O HETATM 1485 O HOH 6 -2.697 5.618 22.644 1.00 70.49 O HETATM 1486 O HOH 7 12.714 22.132 6.483 1.00 46.56 O HETATM 1487 O HOH 8 -13.738 17.321 0.065 1.00 73.60 O HETATM 1488 O HOH 9 -4.672 16.244 32.808 1.00 73.80 O HETATM 1489 O HOH 10 -4.081 31.330 -0.664 1.00 73.07 O HETATM 1490 O HOH 11 10.886 13.229 9.684 1.00 48.69 O HETATM 1491 O HOH 12 11.643 12.159 13.864 1.00 43.24 O HETATM 1492 O HOH 13 7.399 21.999 -11.257 1.00 46.46 O HETATM 1493 O HOH 14 7.069 3.294 20.407 1.00 65.79 O HETATM 1494 O HOH 15 0.102 3.578 14.957 1.00 72.57 O HETATM 1495 O HOH 16 -5.158 6.723 12.802 1.00 60.67 O HETATM 1496 O HOH 17 5.102 16.751 -10.973 1.00 62.10 O HETATM 1497 O HOH 18 -4.248 20.544 -9.951 1.00 78.80 O HETATM 1498 O HOH 19 -7.805 26.212 1.426 1.00 64.73 O HETATM 1499 O HOH 20 14.397 22.333 8.941 1.00 68.98 O HETATM 1500 O HOH 21 -4.837 18.743 22.715 1.00 59.89 O HETATM 1501 O HOH 22 3.712 28.042 14.350 1.00 54.31 O HETATM 1502 O HOH 23 22.336 21.270 13.269 1.00 66.04 O HETATM 1503 O HOH 24 9.596 25.565 11.140 1.00 56.51 O HETATM 1504 O HOH 25 10.781 19.906 28.174 1.00 74.30 O HETATM 1505 O HOH 26 8.159 25.812 17.843 1.00 50.85 O HETATM 1506 O HOH 27 5.627 11.215 -5.317 1.00 58.59 O HETATM 1507 O HOH 28 -8.062 24.470 29.508 1.00 71.77 O HETATM 1508 O HOH 29 9.756 12.107 12.024 1.00 43.53 O HETATM 1509 O HOH 30 4.469 18.888 25.210 1.00 56.85 O HETATM 1510 O HOH 31 5.202 8.141 12.274 1.00 53.67 O HETATM 1511 O HOH 32 -7.602 28.201 -6.121 1.00 80.72 O HETATM 1512 O HOH 33 15.783 24.947 23.698 1.00 58.78 O HETATM 1513 O HOH 34 -7.003 27.240 18.806 1.00 70.16 O HETATM 1514 O HOH 35 -2.695 5.369 11.626 1.00 75.29 O HETATM 1515 O HOH 36 -2.556 21.015 0.559 1.00 57.68 O HETATM 1516 O HOH 37 10.977 24.229 24.650 1.00 63.15 O HETATM 1517 O HOH 38 7.437 16.847 -6.700 1.00 55.58 O HETATM 1518 O HOH 39 -0.006 27.010 8.588 1.00 67.42 O HETATM 1519 O HOH 40 17.497 17.497 0.000 1.00 64.60 O HETATM 1520 O HOH 41 11.712 14.853 -10.303 1.00 63.58 O HETATM 1521 O HOH 42 13.044 12.794 6.226 1.00 56.89 O HETATM 1522 O HOH 43 10.298 20.899 -12.622 1.00 60.12 O HETATM 1523 O HOH 44 4.482 21.302 27.139 1.00 62.68 O HETATM 1524 O HOH 45 7.999 31.296 2.676 1.00 67.02 O HETATM 1525 O HOH 46 6.897 7.823 7.925 1.00 65.11 O HETATM 1526 O HOH 47 9.249 9.199 8.638 1.00 45.08 O HETATM 1527 O HOH 48 -3.373 4.762 8.960 1.00 70.73 O HETATM 1528 NAG UNN A 49 -0.393 11.557 1.413 1.00 -0.30 N HETATM 1529 CAJ UNN A 49 -0.208 12.015 0.111 1.00 0.02 C HETATM 1530 CAD UNN A 49 -0.629 11.414 -1.104 1.00 -0.06 C HETATM 1531 CAB UNN A 49 -0.355 12.008 -2.307 1.00 -0.07 C HETATM 1532 CAC UNN A 49 0.363 13.210 -2.354 1.00 -0.07 C HETATM 1533 CAE UNN A 49 0.782 13.832 -1.191 1.00 -0.05 C HETATM 1534 CAK UNN A 49 0.504 13.235 0.044 1.00 0.05 C HETATM 1535 SAH UNN A 49 0.935 13.777 1.648 1.00 0.01 S HETATM 1536 CAI UNN A 49 0.142 12.349 2.275 1.00 0.14 C HETATM 1537 CAF UNN A 49 0.069 12.081 3.753 1.00 0.04 C HETATM 1538 NAA UNN A 49 -0.154 10.661 4.036 1.00 0.24 N HETATM 1539 H7 UNN A 49 -0.197 10.520 5.033 1.00 0.20 H HETATM 1540 H8 UNN A 49 0.604 10.119 3.652 1.00 0.20 H HETATM 1541 H9 UNN A 49 -1.022 10.367 3.617 1.00 0.20 H HETATM 1542 H5 UNN A 49 -0.760 12.664 4.181 1.00 0.11 H HETATM 1543 H6 UNN A 49 1.015 12.393 4.219 1.00 0.11 H HETATM 1544 H4 UNN A 49 1.320 14.772 -1.236 1.00 0.06 H HETATM 1545 H3 UNN A 49 0.593 13.659 -3.314 1.00 0.06 H HETATM 1546 H2 UNN A 49 -0.695 11.546 -3.227 1.00 0.06 H HETATM 1547 H1 UNN A 49 -1.172 10.476 -1.079 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1528 1529 1536 CONECT 1529 1528 1530 1534 CONECT 1530 1529 1531 1547 CONECT 1531 1530 1532 1546 CONECT 1532 1531 1533 1545 CONECT 1533 1532 1534 1544 CONECT 1534 1529 1533 1535 CONECT 1535 1534 1536 CONECT 1536 1528 1535 1537 CONECT 1537 1536 1538 1542 1543 CONECT 1538 1537 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1537 CONECT 1543 1537 CONECT 1544 1533 CONECT 1545 1532 CONECT 1546 1531 CONECT 1547 1530 MASTER 0 0 0 0 0 0 0 0 1546 1 24 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5ngz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ngz
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ubiquitin-conjugating enzyme E2 T
Ligand Name
2BG
EC.Number
E.C.2.3.2.23
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3mM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4093-4098
Ligand Properties
Formula
C
8
H
9
N
2
S
Molecular Weight
165.235
Exact Mass
165.049
No. of atoms
20
No. of bonds
21
Polar Surface Area
68.77
LOGP Value
1.27 (
Computed with XLOGP3
)
1.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
[NH3+]Cc1nc2c(s1)cccc2
InChI String
InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9NPD8
Entrez Gene ID
NCBI Entrez Gene ID:
29089
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓