Browse entries in the PDBbind-CN Database
HEADER 4WKE_COMPLEX COMPND 4WKE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 LEU SER ARG PHE VAL GLU THR LEU VAL VAL ALA ASP ASP SEQRES 2 A 57 LYS MET ALA ALA PHE HIS GLY ALA GLY LEU LYS ARG TYR SEQRES 3 A 57 LEU LEU THR VAL MET ALA ALA ALA ALA LYS ALA PHE LYS SEQRES 4 A 57 HIS PRO SER ILE ARG ASN PRO VAL SER LEU VAL VAL THR SEQRES 5 A 57 ARG LEU VAL ILE LEU SEQRES 1 A 108 GLU GLY PRO GLN VAL GLY PRO SER ALA ALA GLN THR LEU SEQRES 2 A 108 ARG SER PHE CYS ALA TRP GLN ARG GLY LEU ASN THR PRO SEQRES 3 A 108 GLU ASP SER ASP PRO ASP HIS PHE ASP THR ALA ILE LEU SEQRES 4 A 108 PHE THR ARG GLN ASP LEU CYS GLY VAL SER THR CYS ASP SEQRES 5 A 108 THR LEU GLY MET ALA ASP VAL GLY THR VAL CYS ASP PRO SEQRES 6 A 108 ALA ARG SER CYS ALA ILE VAL GLU ASP ASP GLY LEU GLN SEQRES 7 A 108 SER ALA PHE THR ALA ALA HIS GLU LEU GLY HIS VAL PHE SEQRES 8 A 108 ASN MET LEU HIS ASP ASN SER LYS PRO CYS ILE SER LEU SEQRES 9 A 108 ASN GLY PRO LEU SEQRES 1 A 49 SER ARG HIS VAL MET ALA PRO VAL MET ALA HIS VAL ASP SEQRES 2 A 49 PRO GLU GLU PRO TRP SER PRO CYS SER ALA ARG PHE ILE SEQRES 3 A 49 THR ASP PHE LEU ASP ASN GLY TYR GLY HIS CYS LEU LEU SEQRES 4 A 49 ASP LYS PRO GLU ALA PRO LEU HIS LEU PRO HET ZN A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET UNN A 383 37 SSBOND 1 CYS A 322 CYS A 327 SSBOND 2 CYS A 293 CYS A 345 SSBOND 3 CYS A 377 CYS A 407 SSBOND 4 CYS A 339 CYS A 423 ATOM 1 N LEU A 216 19.353 17.908 25.696 1.00 41.98 N ATOM 2 CA LEU A 216 18.923 17.164 24.468 1.00 41.53 C ATOM 3 C LEU A 216 18.567 15.703 24.766 1.00 39.35 C ATOM 4 O LEU A 216 17.501 15.228 24.365 1.00 39.54 O ATOM 5 CB LEU A 216 20.014 17.234 23.395 1.00 42.83 C ATOM 6 CG LEU A 216 19.773 16.497 22.075 1.00 43.15 C ATOM 7 CD1 LEU A 216 18.470 16.919 21.407 1.00 43.71 C ATOM 8 CD2 LEU A 216 20.949 16.739 21.144 1.00 43.61 C ATOM 9 HN3 LEU A 216 20.193 17.448 26.102 1.00 0.00 H ATOM 10 HN2 LEU A 216 18.581 17.900 26.393 1.00 0.00 H ATOM 11 HN1 LEU A 216 19.583 18.890 25.442 1.00 0.00 H ATOM 12 N SER A 217 19.471 14.996 25.445 1.00 36.22 N ATOM 13 CA SER A 217 19.219 13.616 25.877 1.00 33.26 C ATOM 14 C SER A 217 18.219 13.620 27.019 1.00 29.95 C ATOM 15 O SER A 217 18.426 14.294 28.027 1.00 30.93 O ATOM 16 CB SER A 217 20.510 12.926 26.327 1.00 34.13 C ATOM 17 OG SER A 217 21.302 12.551 25.214 1.00 36.56 O ATOM 18 HG SER A 217 22.128 12.108 25.533 1.00 0.00 H ATOM 19 H SER A 217 20.384 15.437 25.676 1.00 0.00 H ATOM 20 N ARG A 218 17.135 12.863 26.848 1.00 25.22 N ATOM 21 CA ARG A 218 16.032 12.844 27.797 1.00 24.19 C ATOM 22 C ARG A 218 15.844 11.425 28.312 1.00 21.26 C ATOM 23 O ARG A 218 15.921 10.464 27.538 1.00 21.17 O ATOM 24 CB ARG A 218 14.755 13.314 27.118 1.00 25.67 C ATOM 25 CG ARG A 218 14.842 14.691 26.484 1.00 27.87 C ATOM 26 CD ARG A 218 14.185 15.747 27.339 1.00 30.73 C ATOM 27 NE ARG A 218 14.114 17.021 26.635 1.00 32.51 N ATOM 28 CZ ARG A 218 13.584 18.131 27.139 1.00 34.04 C ATOM 29 NH1 ARG A 218 13.067 18.141 28.365 1.00 33.70 N ATOM 30 NH2 ARG A 218 13.572 19.239 26.410 1.00 35.01 N ATOM 31 HE ARG A 218 14.505 17.065 25.672 1.00 0.00 H ATOM 32 HH12 ARG A 218 12.655 19.016 28.749 1.00 0.00 H ATOM 33 HH11 ARG A 218 13.075 17.274 28.940 1.00 0.00 H ATOM 34 HH22 ARG A 218 13.159 20.112 26.797 1.00 0.00 H ATOM 35 HH21 ARG A 218 13.975 19.235 25.451 1.00 0.00 H ATOM 36 H ARG A 218 17.075 12.261 26.002 1.00 0.00 H ATOM 37 N PHE A 219 15.590 11.308 29.614 1.00 18.85 N ATOM 38 CA PHE A 219 15.449 10.020 30.274 1.00 19.11 C ATOM 39 C PHE A 219 14.205 10.023 31.128 1.00 18.07 C ATOM 40 O PHE A 219 14.034 10.894 31.969 1.00 17.96 O ATOM 41 CB PHE A 219 16.662 9.749 31.168 1.00 20.18 C ATOM 42 CG PHE A 219 17.965 9.873 30.447 1.00 21.62 C ATOM 43 CD1 PHE A 219 18.652 11.081 30.450 1.00 23.03 C ATOM 44 CD2 PHE A 219 18.490 8.803 29.741 1.00 23.06 C ATOM 45 CE1 PHE A 219 19.847 11.213 29.772 1.00 24.49 C ATOM 46 CE2 PHE A 219 19.688 8.932 29.061 1.00 24.27 C ATOM 47 CZ PHE A 219 20.364 10.136 29.073 1.00 24.84 C ATOM 48 H PHE A 219 15.488 12.173 30.182 1.00 0.00 H ATOM 49 N VAL A 220 13.348 9.033 30.931 1.00 17.33 N ATOM 50 CA VAL A 220 12.178 8.880 31.788 1.00 17.31 C ATOM 51 C VAL A 220 12.440 7.776 32.802 1.00 16.89 C ATOM 52 O VAL A 220 12.434 6.597 32.444 1.00 16.74 O ATOM 53 CB VAL A 220 10.925 8.505 30.981 1.00 17.75 C ATOM 54 CG1 VAL A 220 9.698 8.496 31.880 1.00 17.69 C ATOM 55 CG2 VAL A 220 10.709 9.455 29.819 1.00 18.39 C ATOM 56 H VAL A 220 13.511 8.358 30.157 1.00 0.00 H ATOM 57 N GLU A 221 12.657 8.151 34.059 1.00 16.05 N ATOM 58 CA GLU A 221 12.889 7.182 35.118 1.00 16.18 C ATOM 59 C GLU A 221 11.558 6.557 35.510 1.00 15.99 C ATOM 60 O GLU A 221 10.671 7.232 36.039 1.00 16.36 O ATOM 61 CB GLU A 221 13.563 7.843 36.317 1.00 16.82 C ATOM 62 CG GLU A 221 14.923 8.432 35.992 1.00 17.73 C ATOM 63 CD GLU A 221 15.493 9.299 37.108 1.00 18.64 C ATOM 64 OE1 GLU A 221 14.959 10.390 37.338 1.00 19.20 O ATOM 65 OE2 GLU A 221 16.486 8.912 37.765 1.00 18.78 O ATOM 66 H GLU A 221 12.661 9.165 34.291 1.00 0.00 H ATOM 67 N THR A 222 11.398 5.279 35.201 1.00 15.99 N ATOM 68 CA THR A 222 10.086 4.660 35.250 1.00 16.58 C ATOM 69 C THR A 222 9.945 3.629 36.367 1.00 16.93 C ATOM 70 O THR A 222 10.794 2.734 36.533 1.00 16.65 O ATOM 71 CB THR A 222 9.746 4.026 33.887 1.00 17.62 C ATOM 72 OG1 THR A 222 9.963 5.006 32.861 1.00 18.93 O ATOM 73 CG2 THR A 222 8.317 3.520 33.865 1.00 17.86 C ATOM 74 HG1 THR A 222 10.911 5.291 32.874 1.00 0.00 H ATOM 75 H THR A 222 12.223 4.712 34.920 1.00 0.00 H ATOM 76 N LEU A 223 8.872 3.786 37.145 1.00 16.17 N ATOM 77 CA LEU A 223 8.413 2.761 38.068 1.00 16.81 C ATOM 78 C LEU A 223 7.418 1.846 37.341 1.00 16.04 C ATOM 79 O LEU A 223 6.396 2.321 36.851 1.00 16.08 O ATOM 80 CB LEU A 223 7.733 3.389 39.284 1.00 17.50 C ATOM 81 CG LEU A 223 6.920 2.414 40.150 1.00 17.93 C ATOM 82 CD1 LEU A 223 7.830 1.421 40.868 1.00 19.00 C ATOM 83 CD2 LEU A 223 6.014 3.156 41.118 1.00 18.19 C ATOM 84 H LEU A 223 8.342 4.679 37.089 1.00 0.00 H ATOM 85 N VAL A 224 7.724 0.554 37.282 1.00 15.31 N ATOM 86 CA VAL A 224 6.831 -0.444 36.676 1.00 15.96 C ATOM 87 C VAL A 224 6.216 -1.264 37.788 1.00 16.33 C ATOM 88 O VAL A 224 6.928 -1.745 38.664 1.00 15.99 O ATOM 89 CB VAL A 224 7.601 -1.372 35.722 1.00 15.79 C ATOM 90 CG1 VAL A 224 6.725 -2.513 35.201 1.00 16.27 C ATOM 91 CG2 VAL A 224 8.176 -0.561 34.575 1.00 16.21 C ATOM 92 H VAL A 224 8.631 0.237 37.680 1.00 0.00 H ATOM 93 N VAL A 225 4.897 -1.398 37.760 1.00 16.45 N ATOM 94 CA VAL A 225 4.163 -2.095 38.796 1.00 16.70 C ATOM 95 C VAL A 225 3.324 -3.177 38.129 1.00 18.24 C ATOM 96 O VAL A 225 2.702 -2.932 37.100 1.00 18.41 O ATOM 97 CB VAL A 225 3.260 -1.128 39.582 1.00 17.38 C ATOM 98 CG1 VAL A 225 2.577 -1.854 40.729 1.00 17.41 C ATOM 99 CG2 VAL A 225 4.074 0.055 40.095 1.00 17.70 C ATOM 100 H VAL A 225 4.369 -0.987 36.964 1.00 0.00 H ATOM 101 N ALA A 226 3.336 -4.370 38.717 1.00 19.12 N ATOM 102 CA ALA A 226 2.503 -5.478 38.249 1.00 20.11 C ATOM 103 C ALA A 226 1.602 -5.904 39.398 1.00 20.64 C ATOM 104 O ALA A 226 2.068 -6.009 40.533 1.00 20.51 O ATOM 105 CB ALA A 226 3.379 -6.629 37.806 1.00 20.47 C ATOM 106 H ALA A 226 3.958 -4.520 39.537 1.00 0.00 H ATOM 107 N ASP A 227 0.320 -6.137 39.132 1.00 22.20 N ATOM 108 CA ASP A 227 -0.596 -6.511 40.219 1.00 24.83 C ATOM 109 C ASP A 227 -0.549 -8.005 40.527 1.00 25.54 C ATOM 110 O ASP A 227 0.169 -8.762 39.876 1.00 24.38 O ATOM 111 CB ASP A 227 -2.021 -6.021 39.943 1.00 25.74 C ATOM 112 CG ASP A 227 -2.731 -6.798 38.863 1.00 26.78 C ATOM 113 OD1 ASP A 227 -2.104 -7.609 38.142 1.00 26.76 O ATOM 114 OD2 ASP A 227 -3.952 -6.576 38.746 1.00 28.63 O ATOM 115 H ASP A 227 -0.034 -6.055 38.157 1.00 0.00 H ATOM 116 N ASP A 228 -1.291 -8.426 41.547 1.00 28.13 N ATOM 117 CA ASP A 228 -1.277 -9.828 41.951 1.00 29.57 C ATOM 118 C ASP A 228 -1.708 -10.781 40.826 1.00 29.65 C ATOM 119 O ASP A 228 -1.182 -11.894 40.725 1.00 29.57 O ATOM 120 CB ASP A 228 -2.112 -10.050 43.228 1.00 32.24 C ATOM 121 CG ASP A 228 -3.534 -9.510 43.126 1.00 33.49 C ATOM 122 OD1 ASP A 228 -3.942 -9.005 42.057 1.00 37.17 O ATOM 123 OD2 ASP A 228 -4.259 -9.591 44.143 1.00 36.76 O ATOM 124 H ASP A 228 -1.888 -7.748 42.063 1.00 0.00 H ATOM 125 N LYS A 229 -2.635 -10.330 39.981 1.00 30.01 N ATOM 126 CA LYS A 229 -3.103 -11.123 38.830 1.00 30.34 C ATOM 127 C LYS A 229 -1.976 -11.412 37.839 1.00 29.01 C ATOM 128 O LYS A 229 -1.897 -12.507 37.283 1.00 28.30 O ATOM 129 CB LYS A 229 -4.240 -10.413 38.094 1.00 31.97 C ATOM 130 CG LYS A 229 -5.487 -10.140 38.920 1.00 33.64 C ATOM 131 CD LYS A 229 -6.645 -9.712 38.034 1.00 35.13 C ATOM 132 CE LYS A 229 -7.634 -8.814 38.761 1.00 37.57 C ATOM 133 NZ LYS A 229 -8.347 -9.518 39.860 1.00 38.66 N ATOM 134 HZ1 LYS A 229 -8.875 -10.324 39.469 1.00 0.00 H ATOM 135 HZ2 LYS A 229 -7.655 -9.861 40.557 1.00 0.00 H ATOM 136 HZ3 LYS A 229 -9.007 -8.860 40.321 1.00 0.00 H ATOM 137 H LYS A 229 -3.042 -9.386 40.139 1.00 0.00 H ATOM 138 N MET A 230 -1.121 -10.416 37.599 1.00 26.89 N ATOM 139 CA MET A 230 0.071 -10.606 36.767 1.00 26.64 C ATOM 140 C MET A 230 1.027 -11.638 37.361 1.00 27.67 C ATOM 141 O MET A 230 1.577 -12.478 36.639 1.00 27.59 O ATOM 142 CB MET A 230 0.817 -9.278 36.586 1.00 25.91 C ATOM 143 CG MET A 230 0.095 -8.261 35.726 1.00 24.78 C ATOM 144 SD MET A 230 0.132 -8.690 33.977 1.00 23.41 S ATOM 145 CE MET A 230 1.828 -8.341 33.528 1.00 24.03 C ATOM 146 H MET A 230 -1.305 -9.480 38.013 1.00 0.00 H ATOM 147 N ALA A 231 1.236 -11.552 38.676 1.00 28.67 N ATOM 148 CA ALA A 231 2.090 -12.488 39.399 1.00 30.35 C ATOM 149 C ALA A 231 1.528 -13.903 39.324 1.00 30.73 C ATOM 150 O ALA A 231 2.274 -14.855 39.112 1.00 31.34 O ATOM 151 CB ALA A 231 2.230 -12.056 40.852 1.00 30.71 C ATOM 152 H ALA A 231 0.772 -10.787 39.207 1.00 0.00 H ATOM 153 N ALA A 232 0.211 -14.023 39.484 1.00 31.70 N ATOM 154 CA ALA A 232 -0.461 -15.325 39.464 1.00 32.73 C ATOM 155 C ALA A 232 -0.290 -16.019 38.118 1.00 33.18 C ATOM 156 O ALA A 232 -0.047 -17.226 38.069 1.00 35.21 O ATOM 157 CB ALA A 232 -1.938 -15.163 39.785 1.00 33.45 C ATOM 158 H ALA A 232 -0.359 -13.165 39.628 1.00 0.00 H ATOM 159 N PHE A 233 -0.404 -15.251 37.035 1.00 33.26 N ATOM 160 CA PHE A 233 -0.304 -15.793 35.674 1.00 32.50 C ATOM 161 C PHE A 233 1.129 -16.041 35.193 1.00 31.06 C ATOM 162 O PHE A 233 1.456 -17.139 34.741 1.00 32.01 O ATOM 163 CB PHE A 233 -1.008 -14.877 34.674 1.00 32.30 C ATOM 164 CG PHE A 233 -1.018 -15.424 33.279 1.00 33.81 C ATOM 165 CD1 PHE A 233 -1.954 -16.378 32.906 1.00 34.38 C ATOM 166 CD2 PHE A 233 -0.061 -15.030 32.354 1.00 33.40 C ATOM 167 CE1 PHE A 233 -1.954 -16.905 31.628 1.00 34.97 C ATOM 168 CE2 PHE A 233 -0.054 -15.557 31.075 1.00 34.56 C ATOM 169 CZ PHE A 233 -1.007 -16.493 30.712 1.00 34.98 C ATOM 170 H PHE A 233 -0.570 -14.232 37.158 1.00 0.00 H ATOM 171 N HIS A 234 1.972 -15.015 35.267 1.00 28.49 N ATOM 172 CA HIS A 234 3.332 -15.088 34.732 1.00 27.69 C ATOM 173 C HIS A 234 4.327 -15.762 35.683 1.00 28.11 C ATOM 174 O HIS A 234 5.381 -16.236 35.244 1.00 28.86 O ATOM 175 CB HIS A 234 3.831 -13.686 34.371 1.00 27.16 C ATOM 176 CG HIS A 234 3.067 -13.048 33.251 1.00 26.08 C ATOM 177 ND1 HIS A 234 3.232 -13.424 31.935 1.00 26.14 N ATOM 178 CD2 HIS A 234 2.133 -12.066 33.249 1.00 25.90 C ATOM 179 CE1 HIS A 234 2.439 -12.694 31.169 1.00 25.50 C ATOM 180 NE2 HIS A 234 1.755 -11.869 31.942 1.00 25.88 N ATOM 181 H HIS A 234 1.655 -14.134 35.719 1.00 0.00 H ATOM 182 N GLY A 235 4.000 -15.770 36.976 1.00 29.46 N ATOM 183 CA GLY A 235 4.833 -16.407 37.999 1.00 29.98 C ATOM 184 C GLY A 235 6.274 -15.944 37.979 1.00 29.90 C ATOM 185 O GLY A 235 6.543 -14.746 37.864 1.00 29.31 O ATOM 186 H GLY A 235 3.117 -15.305 37.270 1.00 0.00 H ATOM 187 N ALA A 236 7.198 -16.900 38.086 1.00 30.04 N ATOM 188 CA ALA A 236 8.643 -16.627 38.094 1.00 29.35 C ATOM 189 C ALA A 236 9.181 -15.869 36.868 1.00 29.41 C ATOM 190 O ALA A 236 10.226 -15.237 36.955 1.00 30.03 O ATOM 191 CB ALA A 236 9.419 -17.928 38.260 1.00 30.12 C ATOM 192 H ALA A 236 6.881 -17.887 38.168 1.00 0.00 H ATOM 193 N GLY A 237 8.490 -15.950 35.732 1.00 28.22 N ATOM 194 CA GLY A 237 8.929 -15.248 34.520 1.00 27.10 C ATOM 195 C GLY A 237 8.445 -13.806 34.398 1.00 26.24 C ATOM 196 O GLY A 237 8.712 -13.145 33.382 1.00 24.66 O ATOM 197 H GLY A 237 7.622 -16.522 35.703 1.00 0.00 H ATOM 198 N LEU A 238 7.743 -13.318 35.421 1.00 25.17 N ATOM 199 CA LEU A 238 7.131 -11.983 35.382 1.00 24.69 C ATOM 200 C LEU A 238 8.144 -10.860 35.189 1.00 24.41 C ATOM 201 O LEU A 238 7.940 -9.991 34.338 1.00 23.18 O ATOM 202 CB LEU A 238 6.308 -11.714 36.645 1.00 24.19 C ATOM 203 CG LEU A 238 5.579 -10.361 36.711 1.00 24.01 C ATOM 204 CD1 LEU A 238 4.733 -10.108 35.466 1.00 23.82 C ATOM 205 CD2 LEU A 238 4.726 -10.256 37.963 1.00 24.64 C ATOM 206 H LEU A 238 7.625 -13.901 36.274 1.00 0.00 H ATOM 207 N LYS A 239 9.217 -10.861 35.979 1.00 24.77 N ATOM 208 CA LYS A 239 10.210 -9.784 35.902 1.00 25.51 C ATOM 209 C LYS A 239 10.794 -9.694 34.493 1.00 25.04 C ATOM 210 O LYS A 239 10.826 -8.617 33.893 1.00 24.88 O ATOM 211 CB LYS A 239 11.326 -9.966 36.944 1.00 27.57 C ATOM 212 CG LYS A 239 12.284 -8.789 37.012 1.00 29.34 C ATOM 213 CD LYS A 239 13.321 -8.929 38.118 1.00 31.64 C ATOM 214 CE LYS A 239 13.889 -7.570 38.500 1.00 33.14 C ATOM 215 NZ LYS A 239 14.947 -7.666 39.545 1.00 35.01 N ATOM 216 HZ1 LYS A 239 14.548 -8.099 40.402 1.00 0.00 H ATOM 217 HZ2 LYS A 239 15.730 -8.253 39.191 1.00 0.00 H ATOM 218 HZ3 LYS A 239 15.300 -6.713 39.768 1.00 0.00 H ATOM 219 H LYS A 239 9.352 -11.636 36.659 1.00 0.00 H ATOM 220 N ARG A 240 11.223 -10.829 33.945 1.00 24.79 N ATOM 221 CA ARG A 240 11.744 -10.862 32.581 1.00 25.37 C ATOM 222 C ARG A 240 10.704 -10.383 31.561 1.00 24.38 C ATOM 223 O ARG A 240 11.039 -9.650 30.637 1.00 24.61 O ATOM 224 CB ARG A 240 12.241 -12.267 32.216 1.00 28.03 C ATOM 225 CG ARG A 240 13.096 -12.305 30.962 1.00 31.47 C ATOM 226 CD ARG A 240 13.577 -13.717 30.656 1.00 34.15 C ATOM 227 NE ARG A 240 14.214 -13.806 29.340 1.00 38.16 N ATOM 228 CZ ARG A 240 13.570 -13.905 28.175 1.00 40.16 C ATOM 229 NH1 ARG A 240 12.237 -13.928 28.122 1.00 40.99 N ATOM 230 NH2 ARG A 240 14.267 -13.981 27.046 1.00 41.34 N ATOM 231 HE ARG A 240 15.253 -13.791 29.311 1.00 0.00 H ATOM 232 HH12 ARG A 240 11.754 -14.006 27.204 1.00 0.00 H ATOM 233 HH11 ARG A 240 11.681 -13.868 28.999 1.00 0.00 H ATOM 234 HH22 ARG A 240 13.773 -14.058 26.134 1.00 0.00 H ATOM 235 HH21 ARG A 240 15.306 -13.963 27.074 1.00 0.00 H ATOM 236 H ARG A 240 11.186 -11.709 34.499 1.00 0.00 H ATOM 237 N TYR A 241 9.448 -10.778 31.753 1.00 23.33 N ATOM 238 CA TYR A 241 8.367 -10.357 30.863 1.00 21.71 C ATOM 239 C TYR A 241 8.193 -8.843 30.885 1.00 20.78 C ATOM 240 O TYR A 241 8.150 -8.210 29.830 1.00 20.15 O ATOM 241 CB TYR A 241 7.056 -11.055 31.224 1.00 21.94 C ATOM 242 CG TYR A 241 5.894 -10.631 30.357 1.00 21.43 C ATOM 243 CD1 TYR A 241 5.892 -10.880 28.987 1.00 21.57 C ATOM 244 CD2 TYR A 241 4.807 -9.958 30.895 1.00 21.05 C ATOM 245 CE1 TYR A 241 4.831 -10.477 28.185 1.00 21.66 C ATOM 246 CE2 TYR A 241 3.744 -9.555 30.099 1.00 21.19 C ATOM 247 CZ TYR A 241 3.757 -9.815 28.749 1.00 20.83 C ATOM 248 OH TYR A 241 2.693 -9.412 27.975 1.00 22.38 O ATOM 249 HH TYR A 241 1.866 -9.847 28.301 1.00 0.00 H ATOM 250 H TYR A 241 9.230 -11.402 32.556 1.00 0.00 H ATOM 251 N LEU A 242 8.143 -8.252 32.073 1.00 20.29 N ATOM 252 CA LEU A 242 7.910 -6.804 32.174 1.00 20.50 C ATOM 253 C LEU A 242 9.052 -6.013 31.540 1.00 20.85 C ATOM 254 O LEU A 242 8.817 -5.016 30.849 1.00 19.98 O ATOM 255 CB LEU A 242 7.736 -6.372 33.630 1.00 21.29 C ATOM 256 CG LEU A 242 6.493 -6.898 34.351 1.00 21.80 C ATOM 257 CD1 LEU A 242 6.643 -6.683 35.848 1.00 22.73 C ATOM 258 CD2 LEU A 242 5.212 -6.264 33.820 1.00 22.07 C ATOM 259 H LEU A 242 8.269 -8.817 32.937 1.00 0.00 H ATOM 260 N LEU A 243 10.284 -6.459 31.772 1.00 20.29 N ATOM 261 CA LEU A 243 11.440 -5.810 31.167 1.00 20.99 C ATOM 262 C LEU A 243 11.440 -5.979 29.644 1.00 20.22 C ATOM 263 O LEU A 243 11.893 -5.097 28.930 1.00 20.30 O ATOM 264 CB LEU A 243 12.748 -6.322 31.794 1.00 22.54 C ATOM 265 CG LEU A 243 12.920 -5.950 33.273 1.00 23.65 C ATOM 266 CD1 LEU A 243 14.238 -6.496 33.798 1.00 24.17 C ATOM 267 CD2 LEU A 243 12.849 -4.443 33.502 1.00 23.99 C ATOM 268 H LEU A 243 10.424 -7.281 32.393 1.00 0.00 H ATOM 269 N THR A 244 10.920 -7.107 29.156 1.00 21.14 N ATOM 270 CA THR A 244 10.825 -7.346 27.717 1.00 21.47 C ATOM 271 C THR A 244 9.798 -6.393 27.105 1.00 20.56 C ATOM 272 O THR A 244 10.071 -5.755 26.089 1.00 20.90 O ATOM 273 CB THR A 244 10.462 -8.816 27.406 1.00 22.70 C ATOM 274 OG1 THR A 244 11.471 -9.680 27.955 1.00 23.40 O ATOM 275 CG2 THR A 244 10.364 -9.061 25.918 1.00 23.03 C ATOM 276 HG1 THR A 244 11.518 -9.550 28.935 1.00 0.00 H ATOM 277 H THR A 244 10.574 -7.833 29.815 1.00 0.00 H ATOM 278 N VAL A 245 8.634 -6.293 27.744 1.00 18.61 N ATOM 279 CA VAL A 245 7.588 -5.360 27.317 1.00 18.41 C ATOM 280 C VAL A 245 8.125 -3.922 27.311 1.00 17.59 C ATOM 281 O VAL A 245 7.951 -3.192 26.338 1.00 17.94 O ATOM 282 CB VAL A 245 6.334 -5.461 28.229 1.00 18.72 C ATOM 283 CG1 VAL A 245 5.369 -4.310 27.986 1.00 19.12 C ATOM 284 CG2 VAL A 245 5.616 -6.793 28.030 1.00 19.43 C ATOM 285 H VAL A 245 8.462 -6.897 28.573 1.00 0.00 H ATOM 286 N MET A 246 8.799 -3.523 28.390 1.00 17.11 N ATOM 287 CA MET A 246 9.322 -2.160 28.488 1.00 17.58 C ATOM 288 C MET A 246 10.470 -1.869 27.511 1.00 17.92 C ATOM 289 O MET A 246 10.590 -0.758 27.013 1.00 18.20 O ATOM 290 CB MET A 246 9.727 -1.843 29.935 1.00 18.32 C ATOM 291 CG MET A 246 8.551 -1.754 30.895 1.00 19.30 C ATOM 292 SD MET A 246 7.295 -0.531 30.472 1.00 21.30 S ATOM 293 CE MET A 246 8.212 0.983 30.737 1.00 22.16 C ATOM 294 H MET A 246 8.955 -4.190 29.173 1.00 0.00 H ATOM 295 N ALA A 247 11.301 -2.863 27.222 1.00 18.14 N ATOM 296 CA ALA A 247 12.310 -2.708 26.177 1.00 18.48 C ATOM 297 C ALA A 247 11.668 -2.401 24.831 1.00 17.94 C ATOM 298 O ALA A 247 12.170 -1.567 24.077 1.00 17.95 O ATOM 299 CB ALA A 247 13.135 -3.967 26.044 1.00 18.76 C ATOM 300 H ALA A 247 11.233 -3.760 27.744 1.00 0.00 H ATOM 301 N ALA A 248 10.581 -3.105 24.514 1.00 17.71 N ATOM 302 CA ALA A 248 9.901 -2.883 23.240 1.00 17.94 C ATOM 303 C ALA A 248 9.262 -1.497 23.201 1.00 17.78 C ATOM 304 O ALA A 248 9.358 -0.803 22.196 1.00 18.47 O ATOM 305 CB ALA A 248 8.866 -3.958 22.975 1.00 18.07 C ATOM 306 H ALA A 248 10.215 -3.817 25.178 1.00 0.00 H ATOM 307 N ALA A 249 8.620 -1.082 24.295 1.00 17.18 N ATOM 308 CA ALA A 249 8.086 0.279 24.375 1.00 17.52 C ATOM 309 C ALA A 249 9.198 1.323 24.236 1.00 16.94 C ATOM 310 O ALA A 249 9.027 2.344 23.564 1.00 16.36 O ATOM 311 CB ALA A 249 7.324 0.489 25.674 1.00 18.38 C ATOM 312 H ALA A 249 8.498 -1.731 25.098 1.00 0.00 H ATOM 313 N ALA A 250 10.341 1.061 24.861 1.00 16.71 N ATOM 314 CA ALA A 250 11.481 1.976 24.780 1.00 17.47 C ATOM 315 C ALA A 250 11.991 2.113 23.357 1.00 17.73 C ATOM 316 O ALA A 250 12.422 3.193 22.943 1.00 17.75 O ATOM 317 CB ALA A 250 12.603 1.524 25.688 1.00 17.63 C ATOM 318 H ALA A 250 10.428 0.188 25.419 1.00 0.00 H ATOM 319 N LYS A 251 11.986 1.010 22.616 1.00 19.55 N ATOM 320 CA LYS A 251 12.404 1.043 21.219 1.00 21.76 C ATOM 321 C LYS A 251 11.514 2.002 20.416 1.00 21.06 C ATOM 322 O LYS A 251 12.010 2.788 19.604 1.00 22.21 O ATOM 323 CB LYS A 251 12.377 -0.366 20.626 1.00 24.50 C ATOM 324 CG LYS A 251 12.830 -0.440 19.178 1.00 27.49 C ATOM 325 CD LYS A 251 13.012 -1.884 18.739 1.00 29.85 C ATOM 326 CE LYS A 251 13.266 -1.994 17.245 1.00 32.22 C ATOM 327 NZ LYS A 251 14.525 -1.319 16.832 1.00 34.78 N ATOM 328 HZ1 LYS A 251 14.472 -0.309 17.075 1.00 0.00 H ATOM 329 HZ2 LYS A 251 15.329 -1.754 17.328 1.00 0.00 H ATOM 330 HZ3 LYS A 251 14.652 -1.423 15.805 1.00 0.00 H ATOM 331 H LYS A 251 11.680 0.110 23.038 1.00 0.00 H ATOM 332 N ALA A 252 10.209 1.984 20.677 1.00 20.31 N ATOM 333 CA ALA A 252 9.308 2.917 19.998 1.00 19.42 C ATOM 334 C ALA A 252 9.637 4.367 20.313 1.00 19.57 C ATOM 335 O ALA A 252 9.586 5.227 19.435 1.00 19.85 O ATOM 336 CB ALA A 252 7.853 2.619 20.339 1.00 19.84 C ATOM 337 H ALA A 252 9.828 1.305 21.366 1.00 0.00 H ATOM 338 N PHE A 253 9.989 4.658 21.563 1.00 19.33 N ATOM 339 CA PHE A 253 10.280 6.038 21.944 1.00 20.22 C ATOM 340 C PHE A 253 11.624 6.563 21.449 1.00 21.95 C ATOM 341 O PHE A 253 11.901 7.756 21.578 1.00 22.91 O ATOM 342 CB PHE A 253 10.128 6.223 23.457 1.00 19.98 C ATOM 343 CG PHE A 253 8.722 6.524 23.860 1.00 19.74 C ATOM 344 CD1 PHE A 253 7.838 5.503 24.158 1.00 20.66 C ATOM 345 CD2 PHE A 253 8.264 7.828 23.870 1.00 19.92 C ATOM 346 CE1 PHE A 253 6.528 5.786 24.501 1.00 19.73 C ATOM 347 CE2 PHE A 253 6.958 8.112 24.208 1.00 19.90 C ATOM 348 CZ PHE A 253 6.090 7.091 24.532 1.00 20.08 C ATOM 349 H PHE A 253 10.057 3.900 22.272 1.00 0.00 H ATOM 350 N LYS A 254 12.438 5.682 20.872 1.00 23.86 N ATOM 351 CA LYS A 254 13.698 6.088 20.247 1.00 26.01 C ATOM 352 C LYS A 254 13.585 6.217 18.735 1.00 25.36 C ATOM 353 O LYS A 254 14.525 6.677 18.079 1.00 25.31 O ATOM 354 CB LYS A 254 14.803 5.083 20.578 1.00 28.12 C ATOM 355 CG LYS A 254 15.443 5.274 21.942 1.00 31.35 C ATOM 356 CD LYS A 254 16.690 4.410 22.078 1.00 35.08 C ATOM 357 CE LYS A 254 17.771 5.085 22.904 1.00 37.81 C ATOM 358 NZ LYS A 254 17.343 5.407 24.292 1.00 39.08 N ATOM 359 HZ1 LYS A 254 16.526 6.050 24.261 1.00 0.00 H ATOM 360 HZ2 LYS A 254 17.077 4.530 24.784 1.00 0.00 H ATOM 361 HZ3 LYS A 254 18.128 5.865 24.798 1.00 0.00 H ATOM 362 H LYS A 254 12.171 4.677 20.865 1.00 0.00 H ATOM 363 N HIS A 255 12.460 5.797 18.169 1.00 23.99 N ATOM 364 CA HIS A 255 12.311 5.813 16.719 1.00 24.19 C ATOM 365 C HIS A 255 12.311 7.260 16.211 1.00 24.73 C ATOM 366 O HIS A 255 11.639 8.120 16.778 1.00 24.42 O ATOM 367 CB HIS A 255 11.047 5.078 16.275 1.00 23.60 C ATOM 368 CG HIS A 255 10.980 4.872 14.795 1.00 24.04 C ATOM 369 ND1 HIS A 255 10.484 5.826 13.938 1.00 23.43 N ATOM 370 CD2 HIS A 255 11.399 3.849 14.016 1.00 23.97 C ATOM 371 CE1 HIS A 255 10.577 5.392 12.693 1.00 24.20 C ATOM 372 NE2 HIS A 255 11.129 4.192 12.714 1.00 24.38 N ATOM 373 H HIS A 255 11.679 5.454 18.764 1.00 0.00 H ATOM 374 N PRO A 256 13.063 7.541 15.127 1.00 24.38 N ATOM 375 CA PRO A 256 13.190 8.913 14.610 1.00 24.69 C ATOM 376 C PRO A 256 11.875 9.647 14.260 1.00 23.64 C ATOM 377 O PRO A 256 11.833 10.884 14.270 1.00 25.34 O ATOM 378 CB PRO A 256 14.048 8.735 13.349 1.00 25.12 C ATOM 379 CG PRO A 256 14.746 7.439 13.516 1.00 25.36 C ATOM 380 CD PRO A 256 13.835 6.572 14.328 1.00 25.30 C ATOM 381 N SER A 257 10.825 8.894 13.937 1.00 21.89 N ATOM 382 CA SER A 257 9.497 9.443 13.661 1.00 21.19 C ATOM 383 C SER A 257 8.926 10.240 14.828 1.00 21.01 C ATOM 384 O SER A 257 8.045 11.058 14.614 1.00 21.71 O ATOM 385 CB SER A 257 8.497 8.348 13.254 1.00 21.77 C ATOM 386 OG SER A 257 8.270 7.415 14.302 1.00 21.72 O ATOM 387 HG SER A 257 9.125 6.978 14.544 1.00 0.00 H ATOM 388 H SER A 257 10.956 7.864 13.878 1.00 0.00 H ATOM 389 N ILE A 258 9.427 10.015 16.045 1.00 21.36 N ATOM 390 CA ILE A 258 8.974 10.780 17.220 1.00 21.75 C ATOM 391 C ILE A 258 9.571 12.204 17.277 1.00 23.41 C ATOM 392 O ILE A 258 9.148 13.020 18.093 1.00 23.60 O ATOM 393 CB ILE A 258 9.234 9.994 18.545 1.00 22.06 C ATOM 394 CG1 ILE A 258 8.268 10.450 19.652 1.00 22.65 C ATOM 395 CG2 ILE A 258 10.688 10.120 18.996 1.00 22.07 C ATOM 396 CD1 ILE A 258 8.295 9.597 20.903 1.00 23.20 C ATOM 397 H ILE A 258 10.155 9.282 16.167 1.00 0.00 H ATOM 398 N ARG A 259 10.549 12.495 16.413 1.00 24.81 N ATOM 399 CA ARG A 259 11.210 13.821 16.304 1.00 27.20 C ATOM 400 C ARG A 259 12.083 14.184 17.512 1.00 28.82 C ATOM 401 O ARG A 259 13.226 14.611 17.339 1.00 30.01 O ATOM 402 CB ARG A 259 10.216 14.957 15.987 1.00 30.39 C ATOM 403 CG ARG A 259 10.902 16.297 15.714 1.00 33.40 C ATOM 404 CD ARG A 259 10.300 17.072 14.549 1.00 36.07 C ATOM 405 NE ARG A 259 9.194 17.941 14.952 1.00 37.73 N ATOM 406 CZ ARG A 259 7.967 17.938 14.425 1.00 38.84 C ATOM 407 NH1 ARG A 259 7.061 18.790 14.886 1.00 38.27 N ATOM 408 NH2 ARG A 259 7.635 17.109 13.436 1.00 40.09 N ATOM 409 HE ARG A 259 9.380 18.621 15.716 1.00 0.00 H ATOM 410 HH12 ARG A 259 6.102 18.797 14.484 1.00 0.00 H ATOM 411 HH11 ARG A 259 7.310 19.451 15.650 1.00 0.00 H ATOM 412 HH22 ARG A 259 6.672 17.127 13.043 1.00 0.00 H ATOM 413 HH21 ARG A 259 8.339 16.444 13.057 1.00 0.00 H ATOM 414 H ARG A 259 10.869 11.741 15.773 1.00 0.00 H ATOM 415 N ASN A 260 11.545 14.029 18.720 1.00 28.48 N ATOM 416 CA ASN A 260 12.308 14.253 19.950 1.00 28.88 C ATOM 417 C ASN A 260 12.347 12.979 20.791 1.00 27.22 C ATOM 418 O ASN A 260 11.517 12.799 21.687 1.00 27.82 O ATOM 419 CB ASN A 260 11.694 15.402 20.748 1.00 30.71 C ATOM 420 CG ASN A 260 12.143 16.755 20.248 1.00 33.75 C ATOM 421 OD1 ASN A 260 11.550 17.324 19.328 1.00 36.16 O ATOM 422 ND2 ASN A 260 13.205 17.280 20.847 1.00 35.34 N ATOM 423 HD22 ASN A 260 13.674 16.765 21.619 1.00 0.00 H ATOM 424 HD21 ASN A 260 13.568 18.206 20.544 1.00 0.00 H ATOM 425 H ASN A 260 10.549 13.739 18.793 1.00 0.00 H ATOM 426 N PRO A 261 13.312 12.090 20.503 1.00 25.97 N ATOM 427 CA PRO A 261 13.396 10.820 21.201 1.00 25.87 C ATOM 428 C PRO A 261 13.614 10.983 22.691 1.00 24.48 C ATOM 429 O PRO A 261 14.196 11.978 23.145 1.00 25.52 O ATOM 430 CB PRO A 261 14.622 10.144 20.583 1.00 26.60 C ATOM 431 CG PRO A 261 14.838 10.828 19.289 1.00 27.52 C ATOM 432 CD PRO A 261 14.389 12.233 19.509 1.00 26.82 C ATOM 433 N VAL A 262 13.101 10.011 23.435 1.00 23.34 N ATOM 434 CA VAL A 262 13.328 9.933 24.867 1.00 22.36 C ATOM 435 C VAL A 262 13.682 8.493 25.211 1.00 22.09 C ATOM 436 O VAL A 262 13.245 7.554 24.536 1.00 21.71 O ATOM 437 CB VAL A 262 12.107 10.411 25.694 1.00 22.21 C ATOM 438 CG1 VAL A 262 11.816 11.886 25.434 1.00 22.21 C ATOM 439 CG2 VAL A 262 10.875 9.578 25.388 1.00 22.19 C ATOM 440 H VAL A 262 12.518 9.282 22.978 1.00 0.00 H ATOM 441 N SER A 263 14.503 8.334 26.250 1.00 20.77 N ATOM 442 CA SER A 263 14.949 7.029 26.710 1.00 20.90 C ATOM 443 C SER A 263 14.083 6.606 27.883 1.00 19.10 C ATOM 444 O SER A 263 14.181 7.214 28.949 1.00 18.47 O ATOM 445 CB SER A 263 16.411 7.076 27.176 1.00 21.62 C ATOM 446 OG SER A 263 17.308 7.341 26.103 1.00 24.44 O ATOM 447 HG SER A 263 17.085 8.216 25.697 1.00 0.00 H ATOM 448 H SER A 263 14.839 9.180 26.753 1.00 0.00 H ATOM 449 N LEU A 264 13.222 5.609 27.665 1.00 18.23 N ATOM 450 CA LEU A 264 12.378 5.055 28.711 1.00 18.31 C ATOM 451 C LEU A 264 13.226 4.078 29.523 1.00 18.69 C ATOM 452 O LEU A 264 13.623 3.033 29.010 1.00 20.88 O ATOM 453 CB LEU A 264 11.186 4.352 28.054 1.00 18.37 C ATOM 454 CG LEU A 264 10.005 3.866 28.880 1.00 18.56 C ATOM 455 CD1 LEU A 264 9.268 5.022 29.545 1.00 18.52 C ATOM 456 CD2 LEU A 264 9.086 3.076 27.960 1.00 18.46 C ATOM 457 H LEU A 264 13.152 5.212 26.706 1.00 0.00 H ATOM 458 N VAL A 265 13.513 4.419 30.773 1.00 17.58 N ATOM 459 CA VAL A 265 14.410 3.603 31.589 1.00 18.09 C ATOM 460 C VAL A 265 13.659 3.054 32.787 1.00 17.89 C ATOM 461 O VAL A 265 13.108 3.827 33.576 1.00 18.87 O ATOM 462 CB VAL A 265 15.605 4.449 32.073 1.00 19.28 C ATOM 463 CG1 VAL A 265 16.604 3.581 32.799 1.00 20.58 C ATOM 464 CG2 VAL A 265 16.284 5.163 30.910 1.00 19.66 C ATOM 465 H VAL A 265 13.093 5.280 31.178 1.00 0.00 H ATOM 466 N VAL A 266 13.603 1.729 32.923 1.00 18.54 N ATOM 467 CA VAL A 266 13.014 1.135 34.122 1.00 18.40 C ATOM 468 C VAL A 266 14.008 1.271 35.266 1.00 19.05 C ATOM 469 O VAL A 266 15.115 0.754 35.199 1.00 19.84 O ATOM 470 CB VAL A 266 12.638 -0.346 33.940 1.00 18.96 C ATOM 471 CG1 VAL A 266 12.073 -0.929 35.233 1.00 19.51 C ATOM 472 CG2 VAL A 266 11.643 -0.506 32.796 1.00 19.13 C ATOM 473 H VAL A 266 13.980 1.115 32.173 1.00 0.00 H ATOM 474 N THR A 267 13.608 1.979 36.311 1.00 18.10 N ATOM 475 CA THR A 267 14.472 2.160 37.476 1.00 18.97 C ATOM 476 C THR A 267 13.973 1.469 38.730 1.00 18.69 C ATOM 477 O THR A 267 14.770 1.203 39.628 1.00 19.66 O ATOM 478 CB THR A 267 14.667 3.648 37.773 1.00 19.43 C ATOM 479 OG1 THR A 267 13.383 4.258 37.972 1.00 20.79 O ATOM 480 CG2 THR A 267 15.387 4.316 36.607 1.00 20.02 C ATOM 481 HG1 THR A 267 13.503 5.222 38.165 1.00 0.00 H ATOM 482 H THR A 267 12.663 2.414 36.303 1.00 0.00 H ATOM 483 N ARG A 268 12.679 1.177 38.799 1.00 18.12 N ATOM 484 CA ARG A 268 12.092 0.475 39.933 1.00 17.98 C ATOM 485 C ARG A 268 11.022 -0.472 39.412 1.00 18.96 C ATOM 486 O ARG A 268 10.305 -0.143 38.458 1.00 17.66 O ATOM 487 CB ARG A 268 11.507 1.467 40.948 1.00 17.87 C ATOM 488 CG ARG A 268 12.570 2.240 41.724 1.00 17.76 C ATOM 489 CD ARG A 268 11.996 3.273 42.679 1.00 17.80 C ATOM 490 NE ARG A 268 11.239 2.659 43.767 1.00 18.01 N ATOM 491 CZ ARG A 268 10.636 3.341 44.732 1.00 18.02 C ATOM 492 NH1 ARG A 268 10.727 4.668 44.767 1.00 18.66 N ATOM 493 NH2 ARG A 268 9.957 2.705 45.672 1.00 19.23 N ATOM 494 HE ARG A 268 11.168 1.622 43.786 1.00 0.00 H ATOM 495 HH12 ARG A 268 10.254 5.202 45.524 1.00 0.00 H ATOM 496 HH11 ARG A 268 11.271 5.171 44.038 1.00 0.00 H ATOM 497 HH22 ARG A 268 9.486 3.243 46.427 1.00 0.00 H ATOM 498 HH21 ARG A 268 9.895 1.667 45.656 1.00 0.00 H ATOM 499 H ARG A 268 12.060 1.461 38.013 1.00 0.00 H ATOM 500 N LEU A 269 10.920 -1.635 40.043 1.00 19.36 N ATOM 501 CA LEU A 269 9.979 -2.661 39.614 1.00 21.19 C ATOM 502 C LEU A 269 9.315 -3.251 40.850 1.00 21.08 C ATOM 503 O LEU A 269 9.994 -3.803 41.728 1.00 21.04 O ATOM 504 CB LEU A 269 10.696 -3.728 38.780 1.00 23.02 C ATOM 505 CG LEU A 269 9.788 -4.617 37.909 1.00 24.89 C ATOM 506 CD1 LEU A 269 10.475 -5.001 36.604 1.00 26.72 C ATOM 507 CD2 LEU A 269 9.352 -5.860 38.671 1.00 25.73 C ATOM 508 H LEU A 269 11.528 -1.819 40.866 1.00 0.00 H ATOM 509 N VAL A 270 7.995 -3.109 40.920 1.00 20.83 N ATOM 510 CA VAL A 270 7.207 -3.561 42.063 1.00 21.79 C ATOM 511 C VAL A 270 6.250 -4.641 41.596 1.00 22.94 C ATOM 512 O VAL A 270 5.462 -4.416 40.680 1.00 21.49 O ATOM 513 CB VAL A 270 6.381 -2.413 42.683 1.00 22.25 C ATOM 514 CG1 VAL A 270 5.424 -2.928 43.760 1.00 23.60 C ATOM 515 CG2 VAL A 270 7.299 -1.357 43.267 1.00 22.65 C ATOM 516 H VAL A 270 7.501 -2.656 40.125 1.00 0.00 H ATOM 517 N ILE A 271 6.324 -5.812 42.227 1.00 24.62 N ATOM 518 CA ILE A 271 5.361 -6.884 41.971 1.00 26.70 C ATOM 519 C ILE A 271 4.525 -7.029 43.234 1.00 27.75 C ATOM 520 O ILE A 271 5.061 -7.368 44.296 1.00 29.03 O ATOM 521 CB ILE A 271 6.049 -8.217 41.610 1.00 27.31 C ATOM 522 CG1 ILE A 271 6.806 -8.075 40.284 1.00 28.60 C ATOM 523 CG2 ILE A 271 5.017 -9.334 41.502 1.00 27.32 C ATOM 524 CD1 ILE A 271 7.751 -9.219 39.967 1.00 30.28 C ATOM 525 H ILE A 271 7.085 -5.968 42.919 1.00 0.00 H ATOM 526 N LEU A 272 3.228 -6.753 43.119 1.00 29.72 N ATOM 527 CA LEU A 272 2.321 -6.757 44.271 1.00 31.56 C ATOM 528 C LEU A 272 1.859 -8.175 44.608 1.00 32.97 C ATOM 529 O LEU A 272 1.564 -8.974 43.721 1.00 33.29 O ATOM 530 CB LEU A 272 1.111 -5.850 44.012 1.00 32.54 C ATOM 531 CG LEU A 272 1.391 -4.358 43.767 1.00 33.40 C ATOM 532 CD1 LEU A 272 0.225 -3.689 43.060 1.00 33.57 C ATOM 533 CD2 LEU A 272 1.700 -3.636 45.071 1.00 34.63 C ATOM 534 H LEU A 272 2.845 -6.527 42.179 1.00 0.00 H TER 535 LEU A 272 ATOM 536 N GLU A 277 -4.028 -1.353 51.481 1.00 52.48 N ATOM 537 CA GLU A 277 -2.848 -2.043 50.966 1.00 52.40 C ATOM 538 C GLU A 277 -2.400 -1.391 49.646 1.00 50.10 C ATOM 539 O GLU A 277 -2.094 -0.195 49.629 1.00 50.37 O ATOM 540 CB GLU A 277 -3.145 -3.543 50.812 1.00 53.75 C ATOM 541 CG GLU A 277 -1.905 -4.417 50.623 1.00 54.93 C ATOM 542 CD GLU A 277 -2.150 -5.637 49.746 1.00 56.14 C ATOM 543 OE1 GLU A 277 -3.056 -5.597 48.885 1.00 57.70 O ATOM 544 OE2 GLU A 277 -1.419 -6.638 49.909 1.00 56.87 O ATOM 545 HN3 GLU A 277 -4.798 -1.419 50.785 1.00 0.00 H ATOM 546 HN2 GLU A 277 -3.797 -0.353 51.651 1.00 0.00 H ATOM 547 HN1 GLU A 277 -4.326 -1.797 52.373 1.00 0.00 H ATOM 548 N GLY A 278 -2.366 -2.156 48.551 1.00 46.87 N ATOM 549 CA GLY A 278 -2.012 -1.630 47.242 1.00 43.92 C ATOM 550 C GLY A 278 -3.175 -0.905 46.592 1.00 40.69 C ATOM 551 O GLY A 278 -4.186 -0.633 47.242 1.00 41.78 O ATOM 552 H GLY A 278 -2.601 -3.165 48.638 1.00 0.00 H ATOM 553 N PRO A 279 -3.046 -0.595 45.294 1.00 37.39 N ATOM 554 CA PRO A 279 -4.107 0.127 44.607 1.00 35.45 C ATOM 555 C PRO A 279 -5.332 -0.748 44.352 1.00 33.69 C ATOM 556 O PRO A 279 -5.213 -1.970 44.256 1.00 34.01 O ATOM 557 CB PRO A 279 -3.451 0.540 43.288 1.00 35.79 C ATOM 558 CG PRO A 279 -2.415 -0.493 43.037 1.00 36.10 C ATOM 559 CD PRO A 279 -1.949 -0.974 44.383 1.00 36.78 C ATOM 560 N GLN A 280 -6.493 -0.112 44.248 1.00 32.46 N ATOM 561 CA GLN A 280 -7.737 -0.806 43.959 1.00 32.56 C ATOM 562 C GLN A 280 -7.842 -1.014 42.458 1.00 31.83 C ATOM 563 O GLN A 280 -7.954 -0.049 41.703 1.00 31.98 O ATOM 564 CB GLN A 280 -8.934 0.012 44.446 1.00 33.54 C ATOM 565 H GLN A 280 -6.513 0.920 44.378 1.00 0.00 H ATOM 566 N VAL A 281 -7.791 -2.272 42.030 1.00 31.14 N ATOM 567 CA VAL A 281 -7.899 -2.619 40.615 1.00 30.45 C ATOM 568 C VAL A 281 -9.272 -3.232 40.346 1.00 30.65 C ATOM 569 O VAL A 281 -9.645 -4.236 40.963 1.00 31.83 O ATOM 570 CB VAL A 281 -6.799 -3.615 40.201 1.00 30.18 C ATOM 571 CG1 VAL A 281 -6.910 -3.968 38.722 1.00 30.31 C ATOM 572 CG2 VAL A 281 -5.423 -3.039 40.501 1.00 30.23 C ATOM 573 H VAL A 281 -7.670 -3.035 42.726 1.00 0.00 H ATOM 574 N GLY A 282 -10.024 -2.615 39.441 1.00 30.03 N ATOM 575 CA GLY A 282 -11.331 -3.127 39.043 1.00 30.69 C ATOM 576 C GLY A 282 -11.648 -2.827 37.592 1.00 30.58 C ATOM 577 O GLY A 282 -10.833 -2.212 36.894 1.00 28.43 O ATOM 578 H GLY A 282 -9.670 -1.741 39.003 1.00 0.00 H ATOM 579 N PRO A 283 -12.842 -3.245 37.128 1.00 29.96 N ATOM 580 CA PRO A 283 -13.269 -3.069 35.740 1.00 30.28 C ATOM 581 C PRO A 283 -13.153 -1.629 35.237 1.00 29.66 C ATOM 582 O PRO A 283 -12.765 -1.417 34.096 1.00 30.02 O ATOM 583 CB PRO A 283 -14.744 -3.509 35.753 1.00 30.71 C ATOM 584 CG PRO A 283 -14.896 -4.356 36.960 1.00 31.28 C ATOM 585 CD PRO A 283 -13.876 -3.904 37.953 1.00 30.72 C ATOM 586 N SER A 284 -13.481 -0.646 36.077 1.00 27.75 N ATOM 587 CA SER A 284 -13.442 0.743 35.638 1.00 27.23 C ATOM 588 C SER A 284 -12.000 1.174 35.404 1.00 26.08 C ATOM 589 O SER A 284 -11.211 1.241 36.346 1.00 25.46 O ATOM 590 CB SER A 284 -14.095 1.673 36.661 1.00 26.80 C ATOM 591 OG SER A 284 -13.931 3.024 36.268 1.00 28.80 O ATOM 592 HG SER A 284 -14.356 3.163 35.385 1.00 0.00 H ATOM 593 H SER A 284 -13.766 -0.872 37.051 1.00 0.00 H ATOM 594 N ALA A 285 -11.664 1.463 34.151 1.00 24.46 N ATOM 595 CA ALA A 285 -10.328 1.961 33.820 1.00 24.05 C ATOM 596 C ALA A 285 -10.059 3.286 34.535 1.00 24.01 C ATOM 597 O ALA A 285 -8.985 3.483 35.106 1.00 23.49 O ATOM 598 CB ALA A 285 -10.170 2.117 32.319 1.00 24.14 C ATOM 599 H ALA A 285 -12.363 1.333 33.392 1.00 0.00 H ATOM 600 N ALA A 286 -11.055 4.168 34.543 1.00 24.27 N ATOM 601 CA ALA A 286 -10.913 5.481 35.176 1.00 24.72 C ATOM 602 C ALA A 286 -10.610 5.400 36.660 1.00 24.58 C ATOM 603 O ALA A 286 -9.702 6.077 37.166 1.00 23.99 O ATOM 604 CB ALA A 286 -12.152 6.333 34.930 1.00 25.76 C ATOM 605 H ALA A 286 -11.957 3.919 34.089 1.00 0.00 H ATOM 606 N GLN A 287 -11.370 4.576 37.366 1.00 25.16 N ATOM 607 CA GLN A 287 -11.192 4.449 38.801 1.00 25.73 C ATOM 608 C GLN A 287 -9.902 3.726 39.139 1.00 23.57 C ATOM 609 O GLN A 287 -9.221 4.083 40.100 1.00 23.71 O ATOM 610 CB GLN A 287 -12.404 3.760 39.430 1.00 28.24 C ATOM 611 CG GLN A 287 -13.684 4.571 39.271 1.00 31.07 C ATOM 612 CD GLN A 287 -13.548 5.997 39.784 1.00 34.16 C ATOM 613 OE1 GLN A 287 -13.204 6.212 40.945 1.00 37.00 O ATOM 614 NE2 GLN A 287 -13.819 6.978 38.924 1.00 36.32 N ATOM 615 HE22 GLN A 287 -14.107 6.751 37.951 1.00 0.00 H ATOM 616 HE21 GLN A 287 -13.743 7.970 39.226 1.00 0.00 H ATOM 617 H GLN A 287 -12.102 4.014 36.887 1.00 0.00 H ATOM 618 N THR A 288 -9.537 2.732 38.329 1.00 21.88 N ATOM 619 CA THR A 288 -8.281 2.016 38.534 1.00 21.02 C ATOM 620 C THR A 288 -7.104 2.967 38.346 1.00 19.65 C ATOM 621 O THR A 288 -6.140 2.928 39.118 1.00 20.01 O ATOM 622 CB THR A 288 -8.150 0.808 37.584 1.00 21.47 C ATOM 623 OG1 THR A 288 -9.161 -0.163 37.907 1.00 22.05 O ATOM 624 CG2 THR A 288 -6.790 0.140 37.709 1.00 21.71 C ATOM 625 HG1 THR A 288 -10.056 0.247 37.801 1.00 0.00 H ATOM 626 H THR A 288 -10.157 2.462 37.539 1.00 0.00 H ATOM 627 N LEU A 289 -7.181 3.820 37.332 1.00 19.56 N ATOM 628 CA LEU A 289 -6.117 4.796 37.100 1.00 19.71 C ATOM 629 C LEU A 289 -5.993 5.749 38.295 1.00 20.87 C ATOM 630 O LEU A 289 -4.888 6.008 38.791 1.00 20.70 O ATOM 631 CB LEU A 289 -6.360 5.584 35.810 1.00 19.91 C ATOM 632 CG LEU A 289 -5.368 6.717 35.545 1.00 20.13 C ATOM 633 CD1 LEU A 289 -3.964 6.168 35.334 1.00 20.22 C ATOM 634 CD2 LEU A 289 -5.798 7.567 34.370 1.00 20.85 C ATOM 635 H LEU A 289 -8.005 3.794 36.697 1.00 0.00 H ATOM 636 N ARG A 290 -7.128 6.260 38.763 1.00 21.82 N ATOM 637 CA ARG A 290 -7.122 7.194 39.890 1.00 22.78 C ATOM 638 C ARG A 290 -6.584 6.530 41.162 1.00 21.99 C ATOM 639 O ARG A 290 -5.771 7.117 41.899 1.00 21.83 O ATOM 640 CB ARG A 290 -8.523 7.772 40.109 1.00 24.17 C ATOM 641 CG ARG A 290 -9.044 8.618 38.942 1.00 25.69 C ATOM 642 CD ARG A 290 -8.610 10.078 39.003 1.00 26.96 C ATOM 643 NE ARG A 290 -7.157 10.226 38.976 1.00 28.15 N ATOM 644 CZ ARG A 290 -6.392 10.195 37.880 1.00 29.50 C ATOM 645 NH1 ARG A 290 -6.925 10.039 36.668 1.00 30.90 N ATOM 646 NH2 ARG A 290 -5.074 10.317 38.005 1.00 31.40 N ATOM 647 HE ARG A 290 -6.676 10.368 39.887 1.00 0.00 H ATOM 648 HH12 ARG A 290 -6.311 10.018 35.829 1.00 0.00 H ATOM 649 HH11 ARG A 290 -7.955 9.939 36.562 1.00 0.00 H ATOM 650 HH22 ARG A 290 -4.467 10.295 37.161 1.00 0.00 H ATOM 651 HH21 ARG A 290 -4.650 10.435 38.947 1.00 0.00 H ATOM 652 H ARG A 290 -8.031 5.993 38.323 1.00 0.00 H ATOM 653 N SER A 291 -7.005 5.294 41.417 1.00 21.33 N ATOM 654 CA SER A 291 -6.521 4.584 42.596 1.00 21.75 C ATOM 655 C SER A 291 -5.018 4.315 42.508 1.00 20.68 C ATOM 656 O SER A 291 -4.283 4.548 43.475 1.00 20.62 O ATOM 657 CB SER A 291 -7.286 3.285 42.825 1.00 23.34 C ATOM 658 OG SER A 291 -6.757 2.611 43.955 1.00 24.24 O ATOM 659 HG SER A 291 -6.845 3.189 44.754 1.00 0.00 H ATOM 660 H SER A 291 -7.681 4.833 40.775 1.00 0.00 H ATOM 661 N PHE A 292 -4.559 3.864 41.340 1.00 20.25 N ATOM 662 CA PHE A 292 -3.135 3.601 41.133 1.00 19.42 C ATOM 663 C PHE A 292 -2.310 4.877 41.309 1.00 19.79 C ATOM 664 O PHE A 292 -1.267 4.864 41.967 1.00 19.72 O ATOM 665 CB PHE A 292 -2.885 2.997 39.741 1.00 19.27 C ATOM 666 CG PHE A 292 -1.426 2.828 39.411 1.00 18.34 C ATOM 667 CD1 PHE A 292 -0.626 1.994 40.178 1.00 18.15 C ATOM 668 CD2 PHE A 292 -0.847 3.514 38.349 1.00 17.97 C ATOM 669 CE1 PHE A 292 0.717 1.846 39.894 1.00 18.50 C ATOM 670 CE2 PHE A 292 0.500 3.359 38.057 1.00 18.08 C ATOM 671 CZ PHE A 292 1.275 2.525 38.825 1.00 18.29 C ATOM 672 H PHE A 292 -5.227 3.696 40.561 1.00 0.00 H ATOM 673 N CYS A 293 -2.791 5.975 40.737 1.00 20.27 N ATOM 674 CA CYS A 293 -2.043 7.225 40.749 1.00 21.17 C ATOM 675 C CYS A 293 -1.941 7.804 42.153 1.00 20.84 C ATOM 676 O CYS A 293 -0.941 8.410 42.502 1.00 21.25 O ATOM 677 CB CYS A 293 -2.636 8.240 39.782 1.00 23.19 C ATOM 678 SG CYS A 293 -1.400 9.423 39.162 1.00 26.41 S ATOM 679 H CYS A 293 -3.720 5.942 40.271 1.00 0.00 H ATOM 680 N ALA A 294 -2.977 7.604 42.958 1.00 20.91 N ATOM 681 CA ALA A 294 -2.925 7.992 44.371 1.00 21.79 C ATOM 682 C ALA A 294 -1.910 7.132 45.129 1.00 22.20 C ATOM 683 O ALA A 294 -1.123 7.638 45.933 1.00 23.25 O ATOM 684 CB ALA A 294 -4.301 7.851 44.997 1.00 22.33 C ATOM 685 H ALA A 294 -3.841 7.165 42.580 1.00 0.00 H ATOM 686 N TRP A 295 -1.928 5.831 44.857 1.00 20.84 N ATOM 687 CA TRP A 295 -1.073 4.871 45.549 1.00 21.74 C ATOM 688 C TRP A 295 0.406 5.100 45.231 1.00 21.49 C ATOM 689 O TRP A 295 1.249 5.082 46.132 1.00 22.28 O ATOM 690 CB TRP A 295 -1.502 3.438 45.194 1.00 23.21 C ATOM 691 CG TRP A 295 -0.616 2.388 45.715 1.00 24.49 C ATOM 692 CD1 TRP A 295 -0.671 1.790 46.942 1.00 25.97 C ATOM 693 CD2 TRP A 295 0.488 1.797 45.028 1.00 24.93 C ATOM 694 NE1 TRP A 295 0.328 0.855 47.054 1.00 26.14 N ATOM 695 CE2 TRP A 295 1.055 0.840 45.893 1.00 26.63 C ATOM 696 CE3 TRP A 295 1.050 1.978 43.758 1.00 25.98 C ATOM 697 CZ2 TRP A 295 2.156 0.073 45.533 1.00 27.03 C ATOM 698 CZ3 TRP A 295 2.143 1.212 43.403 1.00 26.46 C ATOM 699 CH2 TRP A 295 2.686 0.274 44.289 1.00 26.92 C ATOM 700 HE1 TRP A 295 0.504 0.255 47.885 1.00 0.00 H ATOM 701 H TRP A 295 -2.577 5.483 44.122 1.00 0.00 H ATOM 702 N GLN A 296 0.724 5.333 43.953 1.00 20.01 N ATOM 703 CA GLN A 296 2.130 5.437 43.537 1.00 20.31 C ATOM 704 C GLN A 296 2.811 6.657 44.151 1.00 20.74 C ATOM 705 O GLN A 296 4.023 6.641 44.367 1.00 21.99 O ATOM 706 CB GLN A 296 2.295 5.409 42.004 1.00 19.34 C ATOM 707 CG GLN A 296 1.588 6.514 41.223 1.00 18.90 C ATOM 708 CD GLN A 296 2.326 7.842 41.208 1.00 18.67 C ATOM 709 OE1 GLN A 296 3.547 7.883 41.127 1.00 20.20 O ATOM 710 NE2 GLN A 296 1.578 8.934 41.251 1.00 19.18 N ATOM 711 HE22 GLN A 296 0.543 8.853 41.320 1.00 0.00 H ATOM 712 HE21 GLN A 296 2.025 9.872 41.216 1.00 0.00 H ATOM 713 H GLN A 296 -0.031 5.442 43.246 1.00 0.00 H ATOM 714 N ARG A 297 2.030 7.691 44.471 1.00 21.97 N ATOM 715 CA ARG A 297 2.582 8.895 45.087 1.00 23.44 C ATOM 716 C ARG A 297 3.358 8.536 46.367 1.00 22.42 C ATOM 717 O ARG A 297 4.416 9.108 46.641 1.00 22.13 O ATOM 718 CB ARG A 297 1.465 9.904 45.394 1.00 25.22 C ATOM 719 CG ARG A 297 1.885 11.350 45.205 1.00 29.02 C ATOM 720 CD ARG A 297 0.740 12.335 45.427 1.00 30.73 C ATOM 721 NE ARG A 297 1.234 13.707 45.341 1.00 34.19 N ATOM 722 CZ ARG A 297 0.535 14.806 45.622 1.00 35.28 C ATOM 723 NH1 ARG A 297 -0.729 14.729 46.019 1.00 37.37 N ATOM 724 NH2 ARG A 297 1.117 15.997 45.504 1.00 35.91 N ATOM 725 HE ARG A 297 2.219 13.838 45.033 1.00 0.00 H ATOM 726 HH12 ARG A 297 -1.260 15.597 46.234 1.00 0.00 H ATOM 727 HH11 ARG A 297 -1.188 13.801 46.115 1.00 0.00 H ATOM 728 HH22 ARG A 297 0.581 16.861 45.721 1.00 0.00 H ATOM 729 HH21 ARG A 297 2.108 16.063 45.195 1.00 0.00 H ATOM 730 H ARG A 297 1.009 7.638 44.278 1.00 0.00 H ATOM 731 N GLY A 298 2.844 7.568 47.121 1.00 22.52 N ATOM 732 CA GLY A 298 3.463 7.146 48.377 1.00 22.75 C ATOM 733 C GLY A 298 4.821 6.473 48.265 1.00 22.94 C ATOM 734 O GLY A 298 5.588 6.442 49.242 1.00 24.96 O ATOM 735 H GLY A 298 1.973 7.095 46.807 1.00 0.00 H ATOM 736 N LEU A 299 5.116 5.909 47.093 1.00 21.47 N ATOM 737 CA LEU A 299 6.400 5.270 46.836 1.00 21.86 C ATOM 738 C LEU A 299 7.473 6.257 46.404 1.00 20.69 C ATOM 739 O LEU A 299 8.657 5.940 46.449 1.00 21.28 O ATOM 740 CB LEU A 299 6.265 4.194 45.755 1.00 22.71 C ATOM 741 CG LEU A 299 5.741 2.829 46.199 1.00 24.22 C ATOM 742 CD1 LEU A 299 4.307 2.906 46.690 1.00 25.23 C ATOM 743 CD2 LEU A 299 5.865 1.836 45.052 1.00 24.66 C ATOM 744 H LEU A 299 4.404 5.926 46.335 1.00 0.00 H ATOM 745 N ASN A 300 7.070 7.450 45.978 1.00 20.55 N ATOM 746 CA ASN A 300 8.030 8.380 45.416 1.00 19.99 C ATOM 747 C ASN A 300 8.688 9.217 46.502 1.00 22.28 C ATOM 748 O ASN A 300 8.281 9.186 47.665 1.00 22.87 O ATOM 749 CB ASN A 300 7.355 9.266 44.362 1.00 19.36 C ATOM 750 CG ASN A 300 8.273 9.625 43.201 1.00 19.07 C ATOM 751 OD1 ASN A 300 9.495 9.446 43.258 1.00 18.69 O ATOM 752 ND2 ASN A 300 7.680 10.145 42.135 1.00 18.54 N ATOM 753 HD22 ASN A 300 6.649 10.279 42.127 1.00 0.00 H ATOM 754 HD21 ASN A 300 8.246 10.419 41.307 1.00 0.00 H ATOM 755 H ASN A 300 6.067 7.716 46.048 1.00 0.00 H ATOM 756 N THR A 301 9.749 9.912 46.116 1.00 23.17 N ATOM 757 CA THR A 301 10.440 10.837 47.005 1.00 25.53 C ATOM 758 C THR A 301 10.237 12.260 46.498 1.00 25.42 C ATOM 759 O THR A 301 9.873 12.470 45.342 1.00 23.77 O ATOM 760 CB THR A 301 11.939 10.525 47.076 1.00 27.22 C ATOM 761 OG1 THR A 301 12.504 10.613 45.765 1.00 30.20 O ATOM 762 CG2 THR A 301 12.181 9.139 47.646 1.00 29.08 C ATOM 763 HG1 THR A 301 13.472 10.412 45.810 1.00 0.00 H ATOM 764 H THR A 301 10.101 9.793 45.144 1.00 0.00 H ATOM 765 N PRO A 302 10.470 13.259 47.357 1.00 25.24 N ATOM 766 CA PRO A 302 10.207 14.638 46.926 1.00 24.46 C ATOM 767 C PRO A 302 11.122 15.191 45.826 1.00 24.48 C ATOM 768 O PRO A 302 10.682 16.033 45.048 1.00 26.60 O ATOM 769 CB PRO A 302 10.398 15.447 48.213 1.00 25.14 C ATOM 770 CG PRO A 302 10.145 14.475 49.303 1.00 25.79 C ATOM 771 CD PRO A 302 10.666 13.165 48.816 1.00 25.69 C ATOM 772 N GLU A 303 12.364 14.712 45.749 1.00 23.03 N ATOM 773 CA GLU A 303 13.358 15.290 44.845 1.00 22.96 C ATOM 774 C GLU A 303 13.902 14.314 43.802 1.00 22.33 C ATOM 775 O GLU A 303 14.266 13.179 44.122 1.00 21.57 O ATOM 776 CB GLU A 303 14.516 15.857 45.666 1.00 24.83 C ATOM 777 CG GLU A 303 14.090 16.923 46.659 1.00 26.24 C ATOM 778 CD GLU A 303 13.469 18.141 45.997 1.00 28.06 C ATOM 779 OE1 GLU A 303 13.747 18.376 44.804 1.00 30.30 O ATOM 780 OE2 GLU A 303 12.713 18.876 46.672 1.00 31.10 O ATOM 781 H GLU A 303 12.633 13.906 46.348 1.00 0.00 H ATOM 782 N ASP A 304 13.986 14.779 42.556 1.00 21.68 N ATOM 783 CA ASP A 304 14.468 13.955 41.441 1.00 21.87 C ATOM 784 C ASP A 304 15.931 13.537 41.599 1.00 22.42 C ATOM 785 O ASP A 304 16.360 12.553 41.012 1.00 22.38 O ATOM 786 CB ASP A 304 14.257 14.704 40.123 1.00 21.37 C ATOM 787 CG ASP A 304 14.136 13.785 38.911 1.00 21.59 C ATOM 788 OD1 ASP A 304 14.344 12.568 39.011 1.00 22.01 O ATOM 789 OD2 ASP A 304 13.822 14.301 37.828 1.00 22.72 O ATOM 790 H ASP A 304 13.700 15.761 42.367 1.00 0.00 H ATOM 791 N SER A 305 16.693 14.278 42.395 1.00 22.52 N ATOM 792 CA SER A 305 18.084 13.922 42.661 1.00 23.48 C ATOM 793 C SER A 305 18.250 12.719 43.603 1.00 24.33 C ATOM 794 O SER A 305 19.335 12.136 43.674 1.00 25.80 O ATOM 795 CB SER A 305 18.835 15.133 43.209 1.00 23.68 C ATOM 796 OG SER A 305 18.208 15.644 44.372 1.00 24.68 O ATOM 797 HG SER A 305 18.716 16.426 44.703 1.00 0.00 H ATOM 798 H SER A 305 16.291 15.129 42.838 1.00 0.00 H ATOM 799 N ASP A 306 17.191 12.357 44.323 1.00 24.68 N ATOM 800 CA ASP A 306 17.172 11.143 45.130 1.00 25.49 C ATOM 801 C ASP A 306 17.093 9.961 44.168 1.00 25.10 C ATOM 802 O ASP A 306 16.222 9.959 43.300 1.00 23.62 O ATOM 803 CB ASP A 306 15.944 11.160 46.040 1.00 27.19 C ATOM 804 CG ASP A 306 15.882 9.977 46.988 1.00 29.56 C ATOM 805 OD1 ASP A 306 16.114 8.823 46.567 1.00 32.30 O ATOM 806 OD2 ASP A 306 15.572 10.210 48.171 1.00 33.36 O ATOM 807 H ASP A 306 16.346 12.963 44.310 1.00 0.00 H ATOM 808 N PRO A 307 17.985 8.959 44.313 1.00 25.76 N ATOM 809 CA PRO A 307 17.995 7.830 43.374 1.00 26.35 C ATOM 810 C PRO A 307 16.685 7.028 43.336 1.00 24.60 C ATOM 811 O PRO A 307 16.386 6.413 42.307 1.00 25.54 O ATOM 812 CB PRO A 307 19.152 6.954 43.886 1.00 27.65 C ATOM 813 CG PRO A 307 19.309 7.328 45.319 1.00 27.36 C ATOM 814 CD PRO A 307 19.004 8.797 45.368 1.00 26.78 C ATOM 815 N ASP A 308 15.911 7.051 44.424 1.00 23.32 N ATOM 816 CA ASP A 308 14.627 6.331 44.482 1.00 22.08 C ATOM 817 C ASP A 308 13.507 7.085 43.761 1.00 20.25 C ATOM 818 O ASP A 308 12.407 6.535 43.559 1.00 18.33 O ATOM 819 CB ASP A 308 14.170 6.091 45.932 1.00 24.17 C ATOM 820 CG ASP A 308 15.041 5.096 46.685 1.00 26.01 C ATOM 821 OD1 ASP A 308 15.841 4.362 46.067 1.00 27.38 O ATOM 822 OD2 ASP A 308 14.903 5.048 47.928 1.00 30.39 O ATOM 823 H ASP A 308 16.224 7.593 45.255 1.00 0.00 H ATOM 824 N HIS A 309 13.752 8.339 43.387 1.00 18.56 N ATOM 825 CA HIS A 309 12.720 9.110 42.714 1.00 17.70 C ATOM 826 C HIS A 309 12.465 8.550 41.327 1.00 16.49 C ATOM 827 O HIS A 309 13.391 8.108 40.651 1.00 17.46 O ATOM 828 CB HIS A 309 13.129 10.578 42.582 1.00 17.50 C ATOM 829 CG HIS A 309 12.048 11.446 42.019 1.00 17.56 C ATOM 830 ND1 HIS A 309 11.094 12.043 42.810 1.00 18.39 N ATOM 831 CD2 HIS A 309 11.759 11.805 40.745 1.00 17.88 C ATOM 832 CE1 HIS A 309 10.261 12.731 42.048 1.00 18.43 C ATOM 833 NE2 HIS A 309 10.652 12.614 40.792 1.00 18.14 N ATOM 834 H HIS A 309 14.681 8.767 43.576 1.00 0.00 H ATOM 835 N PHE A 310 11.205 8.591 40.906 1.00 16.02 N ATOM 836 CA PHE A 310 10.835 8.199 39.545 1.00 15.80 C ATOM 837 C PHE A 310 9.973 9.280 38.905 1.00 15.68 C ATOM 838 O PHE A 310 9.310 10.063 39.604 1.00 16.71 O ATOM 839 CB PHE A 310 10.135 6.833 39.497 1.00 16.29 C ATOM 840 CG PHE A 310 8.987 6.689 40.451 1.00 15.77 C ATOM 841 CD1 PHE A 310 7.692 6.999 40.059 1.00 15.70 C ATOM 842 CD2 PHE A 310 9.194 6.235 41.749 1.00 16.23 C ATOM 843 CE1 PHE A 310 6.630 6.857 40.935 1.00 15.94 C ATOM 844 CE2 PHE A 310 8.135 6.084 42.622 1.00 16.07 C ATOM 845 CZ PHE A 310 6.848 6.407 42.224 1.00 16.20 C ATOM 846 H PHE A 310 10.462 8.910 41.561 1.00 0.00 H ATOM 847 N ASP A 311 10.026 9.328 37.575 1.00 15.53 N ATOM 848 CA ASP A 311 9.325 10.344 36.769 1.00 15.89 C ATOM 849 C ASP A 311 7.938 9.914 36.285 1.00 16.30 C ATOM 850 O ASP A 311 7.105 10.766 35.968 1.00 17.25 O ATOM 851 CB ASP A 311 10.149 10.713 35.529 1.00 15.98 C ATOM 852 CG ASP A 311 11.528 11.258 35.855 1.00 16.12 C ATOM 853 OD1 ASP A 311 11.658 12.072 36.783 1.00 17.10 O ATOM 854 OD2 ASP A 311 12.487 10.901 35.149 1.00 16.29 O ATOM 855 H ASP A 311 10.592 8.611 37.079 1.00 0.00 H ATOM 856 N THR A 312 7.702 8.608 36.159 1.00 16.23 N ATOM 857 CA THR A 312 6.387 8.128 35.749 1.00 16.60 C ATOM 858 C THR A 312 6.181 6.740 36.322 1.00 16.50 C ATOM 859 O THR A 312 7.147 6.044 36.644 1.00 15.33 O ATOM 860 CB THR A 312 6.226 8.165 34.211 1.00 17.72 C ATOM 861 OG1 THR A 312 4.836 8.219 33.859 1.00 18.17 O ATOM 862 CG2 THR A 312 6.895 6.987 33.542 1.00 17.88 C ATOM 863 HG1 THR A 312 4.430 9.034 34.247 1.00 0.00 H ATOM 864 H THR A 312 8.462 7.926 36.355 1.00 0.00 H ATOM 865 N ALA A 313 4.913 6.382 36.487 1.00 15.59 N ATOM 866 CA ALA A 313 4.517 5.096 37.057 1.00 15.76 C ATOM 867 C ALA A 313 3.542 4.416 36.109 1.00 15.91 C ATOM 868 O ALA A 313 2.571 5.035 35.680 1.00 16.10 O ATOM 869 CB ALA A 313 3.854 5.320 38.399 1.00 16.26 C ATOM 870 H ALA A 313 4.168 7.047 36.197 1.00 0.00 H ATOM 871 N ILE A 314 3.811 3.155 35.784 1.00 15.46 N ATOM 872 CA ILE A 314 2.953 2.390 34.875 1.00 16.10 C ATOM 873 C ILE A 314 2.564 1.073 35.543 1.00 16.20 C ATOM 874 O ILE A 314 3.423 0.355 36.055 1.00 16.29 O ATOM 875 CB ILE A 314 3.647 2.194 33.498 1.00 16.93 C ATOM 876 CG1 ILE A 314 2.711 1.497 32.504 1.00 17.46 C ATOM 877 CG2 ILE A 314 4.983 1.476 33.639 1.00 17.83 C ATOM 878 CD1 ILE A 314 3.158 1.655 31.069 1.00 18.25 C ATOM 879 H ILE A 314 4.654 2.699 36.186 1.00 0.00 H ATOM 880 N LEU A 315 1.257 0.790 35.557 1.00 16.50 N ATOM 881 CA LEU A 315 0.708 -0.435 36.132 1.00 16.79 C ATOM 882 C LEU A 315 0.297 -1.395 35.034 1.00 16.79 C ATOM 883 O LEU A 315 -0.434 -1.000 34.130 1.00 17.43 O ATOM 884 CB LEU A 315 -0.528 -0.136 36.978 1.00 17.41 C ATOM 885 CG LEU A 315 -1.303 -1.337 37.546 1.00 18.15 C ATOM 886 CD1 LEU A 315 -0.438 -2.073 38.543 1.00 18.32 C ATOM 887 CD2 LEU A 315 -2.606 -0.886 38.203 1.00 18.57 C ATOM 888 H LEU A 315 0.598 1.477 35.137 1.00 0.00 H ATOM 889 N PHE A 316 0.753 -2.640 35.135 1.00 16.69 N ATOM 890 CA PHE A 316 0.274 -3.727 34.292 1.00 17.06 C ATOM 891 C PHE A 316 -0.637 -4.618 35.131 1.00 18.36 C ATOM 892 O PHE A 316 -0.289 -5.004 36.252 1.00 18.56 O ATOM 893 CB PHE A 316 1.445 -4.529 33.713 1.00 17.40 C ATOM 894 CG PHE A 316 2.260 -3.762 32.713 1.00 17.38 C ATOM 895 CD1 PHE A 316 3.336 -2.974 33.122 1.00 17.43 C ATOM 896 CD2 PHE A 316 1.943 -3.798 31.359 1.00 17.90 C ATOM 897 CE1 PHE A 316 4.084 -2.252 32.202 1.00 18.16 C ATOM 898 CE2 PHE A 316 2.694 -3.079 30.438 1.00 18.19 C ATOM 899 CZ PHE A 316 3.763 -2.306 30.855 1.00 18.36 C ATOM 900 H PHE A 316 1.483 -2.846 35.846 1.00 0.00 H ATOM 901 N THR A 317 -1.806 -4.926 34.581 1.00 19.40 N ATOM 902 CA THR A 317 -2.773 -5.784 35.253 1.00 20.81 C ATOM 903 C THR A 317 -3.355 -6.772 34.259 1.00 20.75 C ATOM 904 O THR A 317 -3.337 -6.530 33.057 1.00 21.70 O ATOM 905 CB THR A 317 -3.904 -4.966 35.911 1.00 21.86 C ATOM 906 OG1 THR A 317 -4.868 -5.854 36.491 1.00 23.83 O ATOM 907 CG2 THR A 317 -4.590 -4.053 34.911 1.00 22.18 C ATOM 908 HG1 THR A 317 -4.427 -6.416 37.177 1.00 0.00 H ATOM 909 H THR A 317 -2.038 -4.543 33.642 1.00 0.00 H ATOM 910 N ARG A 318 -3.844 -7.895 34.769 1.00 22.55 N ATOM 911 CA ARG A 318 -4.620 -8.826 33.949 1.00 24.61 C ATOM 912 C ARG A 318 -6.112 -8.513 34.022 1.00 25.15 C ATOM 913 O ARG A 318 -6.908 -9.144 33.319 1.00 27.17 O ATOM 914 CB ARG A 318 -4.388 -10.279 34.376 1.00 25.45 C ATOM 915 CG ARG A 318 -2.946 -10.757 34.372 1.00 27.12 C ATOM 916 CD ARG A 318 -2.426 -11.025 32.974 1.00 28.85 C ATOM 917 NE ARG A 318 -2.982 -12.247 32.393 1.00 31.25 N ATOM 918 CZ ARG A 318 -2.616 -12.759 31.218 1.00 32.72 C ATOM 919 NH1 ARG A 318 -3.187 -13.877 30.776 1.00 33.93 N ATOM 920 NH2 ARG A 318 -1.686 -12.157 30.476 1.00 33.27 N ATOM 921 HE ARG A 318 -3.713 -12.751 32.934 1.00 0.00 H ATOM 922 HH12 ARG A 318 -2.903 -14.279 29.860 1.00 0.00 H ATOM 923 HH11 ARG A 318 -3.917 -14.349 31.347 1.00 0.00 H ATOM 924 HH22 ARG A 318 -1.407 -12.564 29.561 1.00 0.00 H ATOM 925 HH21 ARG A 318 -1.239 -11.280 30.813 1.00 0.00 H ATOM 926 H ARG A 318 -3.673 -8.118 35.770 1.00 0.00 H ATOM 927 N GLN A 319 -6.504 -7.565 34.874 1.00 24.66 N ATOM 928 CA GLN A 319 -7.896 -7.120 34.932 1.00 25.11 C ATOM 929 C GLN A 319 -8.362 -6.642 33.560 1.00 25.90 C ATOM 930 O GLN A 319 -7.641 -5.918 32.868 1.00 24.56 O ATOM 931 CB GLN A 319 -8.062 -5.993 35.963 1.00 26.04 C ATOM 932 CG GLN A 319 -9.438 -5.338 36.006 1.00 27.11 C ATOM 933 CD GLN A 319 -10.506 -6.264 36.558 1.00 28.54 C ATOM 934 OE1 GLN A 319 -10.368 -6.791 37.665 1.00 31.04 O ATOM 935 NE2 GLN A 319 -11.579 -6.462 35.795 1.00 29.11 N ATOM 936 HE22 GLN A 319 -11.651 -5.996 34.868 1.00 0.00 H ATOM 937 HE21 GLN A 319 -12.345 -7.083 36.126 1.00 0.00 H ATOM 938 H GLN A 319 -5.805 -7.133 35.511 1.00 0.00 H ATOM 939 N ASP A 320 -9.559 -7.062 33.159 1.00 25.14 N ATOM 940 CA ASP A 320 -10.178 -6.552 31.942 1.00 25.27 C ATOM 941 C ASP A 320 -10.704 -5.146 32.226 1.00 25.07 C ATOM 942 O ASP A 320 -11.744 -4.984 32.860 1.00 26.75 O ATOM 943 CB ASP A 320 -11.306 -7.487 31.473 1.00 26.04 C ATOM 944 CG ASP A 320 -11.945 -7.042 30.160 1.00 26.87 C ATOM 945 OD1 ASP A 320 -11.537 -6.007 29.586 1.00 25.26 O ATOM 946 OD2 ASP A 320 -12.881 -7.735 29.688 1.00 28.36 O ATOM 947 H ASP A 320 -10.065 -7.771 33.727 1.00 0.00 H ATOM 948 N LEU A 321 -9.972 -4.136 31.762 1.00 23.41 N ATOM 949 CA LEU A 321 -10.326 -2.741 32.005 1.00 23.07 C ATOM 950 C LEU A 321 -11.437 -2.321 31.081 1.00 24.33 C ATOM 951 O LEU A 321 -11.477 -2.752 29.928 1.00 22.82 O ATOM 952 CB LEU A 321 -9.113 -1.842 31.774 1.00 22.82 C ATOM 953 CG LEU A 321 -7.904 -2.123 32.662 1.00 22.28 C ATOM 954 CD1 LEU A 321 -6.736 -1.267 32.194 1.00 22.13 C ATOM 955 CD2 LEU A 321 -8.211 -1.867 34.134 1.00 21.83 C ATOM 956 H LEU A 321 -9.118 -4.348 31.207 1.00 0.00 H ATOM 957 N CYS A 322 -12.341 -1.487 31.592 1.00 26.02 N ATOM 958 CA CYS A 322 -13.502 -1.047 30.822 1.00 27.25 C ATOM 959 C CYS A 322 -13.716 0.462 30.840 1.00 27.82 C ATOM 960 O CYS A 322 -13.252 1.171 31.739 1.00 27.37 O ATOM 961 CB CYS A 322 -14.769 -1.746 31.334 1.00 28.94 C ATOM 962 SG CYS A 322 -14.620 -3.537 31.551 1.00 30.66 S ATOM 963 H CYS A 322 -12.217 -1.140 32.565 1.00 0.00 H ATOM 964 N GLY A 323 -14.413 0.933 29.807 1.00 28.08 N ATOM 965 CA GLY A 323 -14.956 2.277 29.752 1.00 29.10 C ATOM 966 C GLY A 323 -16.404 2.260 30.215 1.00 29.69 C ATOM 967 O GLY A 323 -16.841 1.336 30.899 1.00 30.38 O ATOM 968 H GLY A 323 -14.577 0.303 28.996 1.00 0.00 H ATOM 969 N VAL A 324 -17.144 3.285 29.814 1.00 31.09 N ATOM 970 CA VAL A 324 -18.517 3.469 30.277 1.00 31.30 C ATOM 971 C VAL A 324 -19.498 2.439 29.692 1.00 32.34 C ATOM 972 O VAL A 324 -20.435 2.017 30.376 1.00 31.36 O ATOM 973 CB VAL A 324 -18.998 4.919 30.012 1.00 31.05 C ATOM 974 CG1 VAL A 324 -19.208 5.177 28.523 1.00 30.97 C ATOM 975 CG2 VAL A 324 -20.263 5.216 30.806 1.00 30.52 C ATOM 976 H VAL A 324 -16.736 3.976 29.152 1.00 0.00 H ATOM 977 N SER A 325 -19.286 2.026 28.444 1.00 33.89 N ATOM 978 CA SER A 325 -20.226 1.110 27.775 1.00 36.61 C ATOM 979 C SER A 325 -19.624 -0.212 27.295 1.00 36.92 C ATOM 980 O SER A 325 -20.333 -1.226 27.204 1.00 36.82 O ATOM 981 CB SER A 325 -20.884 1.829 26.599 1.00 37.61 C ATOM 982 OG SER A 325 -21.471 3.052 27.019 1.00 39.96 O ATOM 983 HG SER A 325 -21.890 3.499 26.242 1.00 0.00 H ATOM 984 H SER A 325 -18.442 2.356 27.933 1.00 0.00 H ATOM 985 N THR A 326 -18.331 -0.199 26.977 1.00 36.94 N ATOM 986 CA THR A 326 -17.627 -1.393 26.525 1.00 36.61 C ATOM 987 C THR A 326 -16.384 -1.646 27.370 1.00 33.84 C ATOM 988 O THR A 326 -15.909 -0.755 28.082 1.00 33.54 O ATOM 989 CB THR A 326 -17.196 -1.275 25.044 1.00 37.25 C ATOM 990 OG1 THR A 326 -16.211 -0.246 24.894 1.00 39.15 O ATOM 991 CG2 THR A 326 -18.392 -0.961 24.154 1.00 38.02 C ATOM 992 HG1 THR A 326 -15.419 -0.466 25.445 1.00 0.00 H ATOM 993 H THR A 326 -17.805 0.695 27.054 1.00 0.00 H ATOM 994 N CYS A 327 -15.875 -2.872 27.272 1.00 30.76 N ATOM 995 CA CYS A 327 -14.609 -3.260 27.894 1.00 30.33 C ATOM 996 C CYS A 327 -13.496 -3.431 26.859 1.00 26.78 C ATOM 997 O CYS A 327 -12.497 -4.092 27.123 1.00 25.54 O ATOM 998 CB CYS A 327 -14.784 -4.547 28.691 1.00 30.99 C ATOM 999 SG CYS A 327 -15.853 -4.330 30.132 1.00 35.41 S ATOM 1000 H CYS A 327 -16.401 -3.586 26.729 1.00 0.00 H ATOM 1001 N ASP A 328 -13.673 -2.822 25.695 1.00 26.80 N ATOM 1002 CA ASP A 328 -12.680 -2.889 24.620 1.00 27.20 C ATOM 1003 C ASP A 328 -11.368 -2.194 24.978 1.00 25.71 C ATOM 1004 O ASP A 328 -10.319 -2.536 24.430 1.00 24.65 O ATOM 1005 CB ASP A 328 -13.239 -2.248 23.352 1.00 29.86 C ATOM 1006 CG ASP A 328 -14.381 -3.046 22.745 1.00 32.26 C ATOM 1007 OD1 ASP A 328 -14.697 -4.149 23.249 1.00 34.97 O ATOM 1008 OD2 ASP A 328 -14.964 -2.562 21.759 1.00 36.33 O ATOM 1009 H ASP A 328 -14.546 -2.278 25.540 1.00 0.00 H ATOM 1010 N THR A 329 -11.423 -1.219 25.882 1.00 24.64 N ATOM 1011 CA THR A 329 -10.206 -0.474 26.252 1.00 23.28 C ATOM 1012 C THR A 329 -9.122 -1.402 26.801 1.00 21.43 C ATOM 1013 O THR A 329 -9.413 -2.386 27.480 1.00 20.77 O ATOM 1014 CB THR A 329 -10.463 0.664 27.266 1.00 25.47 C ATOM 1015 OG1 THR A 329 -9.229 1.355 27.530 1.00 29.14 O ATOM 1016 CG2 THR A 329 -11.042 0.143 28.567 1.00 25.83 C ATOM 1017 HG1 THR A 329 -8.878 1.736 26.686 1.00 0.00 H ATOM 1018 H THR A 329 -12.331 -0.981 26.330 1.00 0.00 H ATOM 1019 N LEU A 330 -7.865 -1.046 26.529 1.00 19.40 N ATOM 1020 CA LEU A 330 -6.714 -1.807 27.007 1.00 19.54 C ATOM 1021 C LEU A 330 -5.837 -1.004 27.970 1.00 18.33 C ATOM 1022 O LEU A 330 -4.835 -1.512 28.442 1.00 18.18 O ATOM 1023 CB LEU A 330 -5.864 -2.270 25.817 1.00 20.41 C ATOM 1024 CG LEU A 330 -6.495 -3.319 24.893 1.00 22.20 C ATOM 1025 CD1 LEU A 330 -5.618 -3.491 23.660 1.00 22.61 C ATOM 1026 CD2 LEU A 330 -6.665 -4.622 25.634 1.00 23.27 C ATOM 1027 H LEU A 330 -7.699 -0.195 25.955 1.00 0.00 H ATOM 1028 N GLY A 331 -6.215 0.235 28.275 1.00 18.40 N ATOM 1029 CA GLY A 331 -5.369 1.085 29.120 1.00 18.13 C ATOM 1030 C GLY A 331 -5.934 2.480 29.268 1.00 18.93 C ATOM 1031 O GLY A 331 -6.901 2.852 28.592 1.00 18.79 O ATOM 1032 H GLY A 331 -7.117 0.604 27.912 1.00 0.00 H ATOM 1033 N MET A 332 -5.324 3.255 30.156 1.00 18.76 N ATOM 1034 CA MET A 332 -5.717 4.640 30.325 1.00 19.91 C ATOM 1035 C MET A 332 -4.586 5.395 30.988 1.00 18.83 C ATOM 1036 O MET A 332 -3.789 4.812 31.720 1.00 19.24 O ATOM 1037 CB MET A 332 -6.983 4.738 31.179 1.00 22.45 C ATOM 1038 CG MET A 332 -7.824 5.955 30.854 1.00 24.92 C ATOM 1039 SD MET A 332 -9.327 5.935 31.838 1.00 30.02 S ATOM 1040 CE MET A 332 -8.598 6.564 33.326 1.00 30.58 C ATOM 1041 H MET A 332 -4.555 2.864 30.737 1.00 0.00 H ATOM 1042 N ALA A 333 -4.514 6.687 30.707 1.00 18.16 N ATOM 1043 CA ALA A 333 -3.482 7.532 31.290 1.00 18.81 C ATOM 1044 C ALA A 333 -3.938 8.960 31.408 1.00 21.06 C ATOM 1045 O ALA A 333 -4.838 9.379 30.711 1.00 22.92 O ATOM 1046 CB ALA A 333 -2.218 7.469 30.453 1.00 19.07 C ATOM 1047 H ALA A 333 -5.209 7.106 30.057 1.00 0.00 H ATOM 1048 N ASP A 334 -3.288 9.693 32.304 1.00 22.68 N ATOM 1049 CA ASP A 334 -3.427 11.140 32.363 1.00 24.80 C ATOM 1050 C ASP A 334 -2.675 11.763 31.177 1.00 24.30 C ATOM 1051 O ASP A 334 -1.672 11.214 30.716 1.00 24.53 O ATOM 1052 CB ASP A 334 -2.911 11.651 33.710 1.00 26.70 C ATOM 1053 CG ASP A 334 -3.719 11.112 34.878 1.00 28.84 C ATOM 1054 OD1 ASP A 334 -4.949 11.335 34.893 1.00 29.97 O ATOM 1055 OD2 ASP A 334 -3.134 10.452 35.771 1.00 31.99 O ATOM 1056 H ASP A 334 -2.661 9.218 32.984 1.00 0.00 H ATOM 1057 N VAL A 335 -3.168 12.883 30.658 1.00 22.57 N ATOM 1058 CA VAL A 335 -2.577 13.476 29.458 1.00 21.53 C ATOM 1059 C VAL A 335 -1.649 14.655 29.775 1.00 20.60 C ATOM 1060 O VAL A 335 -2.071 15.617 30.415 1.00 22.07 O ATOM 1061 CB VAL A 335 -3.667 13.942 28.478 1.00 22.23 C ATOM 1062 CG1 VAL A 335 -3.052 14.558 27.235 1.00 21.91 C ATOM 1063 CG2 VAL A 335 -4.583 12.784 28.105 1.00 22.39 C ATOM 1064 H VAL A 335 -3.984 13.343 31.110 1.00 0.00 H ATOM 1065 N GLY A 336 -0.397 14.581 29.322 1.00 18.83 N ATOM 1066 CA GLY A 336 0.567 15.686 29.451 1.00 18.82 C ATOM 1067 C GLY A 336 1.036 15.922 30.870 1.00 18.73 C ATOM 1068 O GLY A 336 1.121 17.065 31.328 1.00 18.61 O ATOM 1069 H GLY A 336 -0.088 13.704 28.857 1.00 0.00 H ATOM 1070 N THR A 337 1.361 14.836 31.556 1.00 17.96 N ATOM 1071 CA THR A 337 1.608 14.873 32.995 1.00 18.91 C ATOM 1072 C THR A 337 3.001 14.384 33.388 1.00 18.37 C ATOM 1073 O THR A 337 3.254 14.186 34.569 1.00 18.47 O ATOM 1074 CB THR A 337 0.583 13.976 33.725 1.00 19.35 C ATOM 1075 OG1 THR A 337 0.607 12.663 33.140 1.00 19.68 O ATOM 1076 CG2 THR A 337 -0.818 14.564 33.623 1.00 21.06 C ATOM 1077 HG1 THR A 337 -0.048 12.084 33.604 1.00 0.00 H ATOM 1078 H THR A 337 1.443 13.929 31.054 1.00 0.00 H ATOM 1079 N VAL A 338 3.910 14.197 32.427 1.00 18.64 N ATOM 1080 CA VAL A 338 5.126 13.409 32.688 1.00 18.93 C ATOM 1081 C VAL A 338 5.974 13.921 33.857 1.00 19.26 C ATOM 1082 O VAL A 338 6.555 13.121 34.583 1.00 19.60 O ATOM 1083 CB VAL A 338 6.001 13.205 31.419 1.00 19.10 C ATOM 1084 CG1 VAL A 338 6.860 14.424 31.099 1.00 18.87 C ATOM 1085 CG2 VAL A 338 6.885 11.965 31.569 1.00 20.17 C ATOM 1086 H VAL A 338 3.757 14.612 31.486 1.00 0.00 H ATOM 1087 N CYS A 339 6.045 15.234 34.046 1.00 20.00 N ATOM 1088 CA CYS A 339 6.863 15.793 35.131 1.00 20.23 C ATOM 1089 C CYS A 339 6.046 16.362 36.287 1.00 20.69 C ATOM 1090 O CYS A 339 6.524 17.222 37.031 1.00 24.71 O ATOM 1091 CB CYS A 339 7.846 16.817 34.576 1.00 21.06 C ATOM 1092 SG CYS A 339 9.125 16.031 33.575 1.00 21.51 S ATOM 1093 H CYS A 339 5.516 15.873 33.419 1.00 0.00 H ATOM 1094 N ASP A 340 4.829 15.850 36.433 1.00 19.61 N ATOM 1095 CA ASP A 340 4.005 16.072 37.613 1.00 19.88 C ATOM 1096 C ASP A 340 3.902 14.772 38.386 1.00 19.60 C ATOM 1097 O ASP A 340 3.112 13.908 38.019 1.00 19.29 O ATOM 1098 CB ASP A 340 2.603 16.505 37.209 1.00 21.40 C ATOM 1099 CG ASP A 340 1.798 17.011 38.389 1.00 22.69 C ATOM 1100 OD1 ASP A 340 2.050 16.536 39.517 1.00 24.01 O ATOM 1101 OD2 ASP A 340 0.930 17.892 38.177 1.00 24.92 O ATOM 1102 H ASP A 340 4.446 15.261 35.666 1.00 0.00 H ATOM 1103 N PRO A 341 4.682 14.632 39.468 1.00 19.11 N ATOM 1104 CA PRO A 341 4.645 13.380 40.233 1.00 18.93 C ATOM 1105 C PRO A 341 3.279 12.963 40.782 1.00 19.70 C ATOM 1106 O PRO A 341 3.066 11.785 41.043 1.00 19.62 O ATOM 1107 CB PRO A 341 5.617 13.652 41.384 1.00 19.68 C ATOM 1108 CG PRO A 341 6.583 14.617 40.804 1.00 19.85 C ATOM 1109 CD PRO A 341 5.746 15.528 39.959 1.00 19.45 C ATOM 1110 N ALA A 342 2.368 13.909 40.960 1.00 19.76 N ATOM 1111 CA ALA A 342 1.020 13.586 41.415 1.00 20.30 C ATOM 1112 C ALA A 342 0.130 12.971 40.329 1.00 20.70 C ATOM 1113 O ALA A 342 -0.894 12.366 40.642 1.00 21.96 O ATOM 1114 CB ALA A 342 0.354 14.833 41.984 1.00 20.81 C ATOM 1115 H ALA A 342 2.619 14.901 40.772 1.00 0.00 H ATOM 1116 N ARG A 343 0.519 13.123 39.062 1.00 19.58 N ATOM 1117 CA ARG A 343 -0.322 12.750 37.928 1.00 20.61 C ATOM 1118 C ARG A 343 0.352 11.905 36.846 1.00 19.77 C ATOM 1119 O ARG A 343 -0.313 11.517 35.885 1.00 20.47 O ATOM 1120 CB ARG A 343 -0.840 14.011 37.260 1.00 22.00 C ATOM 1121 CG ARG A 343 -1.572 14.969 38.175 1.00 23.74 C ATOM 1122 CD ARG A 343 -2.270 16.001 37.317 1.00 25.21 C ATOM 1123 NE ARG A 343 -3.328 15.373 36.518 1.00 26.93 N ATOM 1124 CZ ARG A 343 -3.733 15.774 35.310 1.00 28.01 C ATOM 1125 NH1 ARG A 343 -3.176 16.819 34.702 1.00 28.93 N ATOM 1126 NH2 ARG A 343 -4.710 15.114 34.702 1.00 29.54 N ATOM 1127 HE ARG A 343 -3.804 14.544 36.928 1.00 0.00 H ATOM 1128 HH12 ARG A 343 -3.509 17.112 33.761 1.00 0.00 H ATOM 1129 HH11 ARG A 343 -2.408 17.343 35.168 1.00 0.00 H ATOM 1130 HH22 ARG A 343 -5.035 15.416 33.761 1.00 0.00 H ATOM 1131 HH21 ARG A 343 -5.151 14.295 35.166 1.00 0.00 H ATOM 1132 H ARG A 343 1.460 13.524 38.874 1.00 0.00 H ATOM 1133 N SER A 344 1.652 11.626 36.973 1.00 17.98 N ATOM 1134 CA SER A 344 2.398 10.964 35.883 1.00 16.85 C ATOM 1135 C SER A 344 2.211 9.454 35.979 1.00 16.86 C ATOM 1136 O SER A 344 3.050 8.743 36.537 1.00 16.86 O ATOM 1137 CB SER A 344 3.878 11.322 35.940 1.00 17.19 C ATOM 1138 OG SER A 344 4.569 10.811 34.813 1.00 16.03 O ATOM 1139 HG SER A 344 5.526 11.057 34.875 1.00 0.00 H ATOM 1140 H SER A 344 2.147 11.879 37.852 1.00 0.00 H ATOM 1141 N CYS A 345 1.087 8.988 35.440 1.00 17.19 N ATOM 1142 CA CYS A 345 0.563 7.640 35.700 1.00 17.88 C ATOM 1143 C CYS A 345 -0.109 7.068 34.472 1.00 16.74 C ATOM 1144 O CYS A 345 -0.751 7.807 33.721 1.00 15.74 O ATOM 1145 CB CYS A 345 -0.485 7.673 36.813 1.00 21.15 C ATOM 1146 SG CYS A 345 0.165 8.297 38.379 1.00 24.36 S ATOM 1147 H CYS A 345 0.552 9.610 34.802 1.00 0.00 H ATOM 1148 N ALA A 346 0.030 5.754 34.303 1.00 15.99 N ATOM 1149 CA ALA A 346 -0.666 5.004 33.257 1.00 15.95 C ATOM 1150 C ALA A 346 -0.964 3.595 33.737 1.00 15.85 C ATOM 1151 O ALA A 346 -0.254 3.051 34.586 1.00 14.89 O ATOM 1152 CB ALA A 346 0.169 4.952 32.000 1.00 15.91 C ATOM 1153 H ALA A 346 0.663 5.236 34.945 1.00 0.00 H ATOM 1154 N ILE A 347 -2.043 3.026 33.193 1.00 15.66 N ATOM 1155 CA ILE A 347 -2.393 1.631 33.419 1.00 16.10 C ATOM 1156 C ILE A 347 -2.536 0.908 32.086 1.00 15.84 C ATOM 1157 O ILE A 347 -2.931 1.500 31.079 1.00 15.59 O ATOM 1158 CB ILE A 347 -3.651 1.474 34.309 1.00 16.68 C ATOM 1159 CG1 ILE A 347 -4.918 1.954 33.605 1.00 17.45 C ATOM 1160 CG2 ILE A 347 -3.438 2.256 35.603 1.00 16.25 C ATOM 1161 CD1 ILE A 347 -6.197 1.584 34.331 1.00 17.98 C ATOM 1162 H ILE A 347 -2.658 3.603 32.584 1.00 0.00 H ATOM 1163 N VAL A 348 -2.172 -0.367 32.095 1.00 16.02 N ATOM 1164 CA VAL A 348 -2.193 -1.210 30.905 1.00 16.36 C ATOM 1165 C VAL A 348 -2.792 -2.560 31.274 1.00 17.13 C ATOM 1166 O VAL A 348 -2.352 -3.202 32.222 1.00 17.67 O ATOM 1167 CB VAL A 348 -0.767 -1.406 30.329 1.00 16.04 C ATOM 1168 CG1 VAL A 348 -0.738 -2.459 29.212 1.00 16.15 C ATOM 1169 CG2 VAL A 348 -0.224 -0.074 29.834 1.00 16.15 C ATOM 1170 H VAL A 348 -1.857 -0.786 32.993 1.00 0.00 H ATOM 1171 N GLU A 349 -3.789 -2.975 30.495 1.00 17.18 N ATOM 1172 CA GLU A 349 -4.307 -4.338 30.538 1.00 18.35 C ATOM 1173 C GLU A 349 -3.368 -5.224 29.727 1.00 18.97 C ATOM 1174 O GLU A 349 -3.204 -5.020 28.524 1.00 19.59 O ATOM 1175 CB GLU A 349 -5.717 -4.380 29.955 1.00 19.12 C ATOM 1176 CG GLU A 349 -6.301 -5.782 29.843 1.00 20.96 C ATOM 1177 CD GLU A 349 -7.664 -5.787 29.202 1.00 22.25 C ATOM 1178 OE1 GLU A 349 -8.410 -4.799 29.342 1.00 21.95 O ATOM 1179 OE2 GLU A 349 -7.990 -6.795 28.531 1.00 26.24 O ATOM 1180 H GLU A 349 -4.216 -2.300 29.829 1.00 0.00 H ATOM 1181 N ASP A 350 -2.727 -6.174 30.395 1.00 19.28 N ATOM 1182 CA ASP A 350 -1.768 -7.069 29.751 1.00 20.45 C ATOM 1183 C ASP A 350 -2.504 -8.110 28.918 1.00 22.14 C ATOM 1184 O ASP A 350 -3.180 -8.983 29.464 1.00 24.79 O ATOM 1185 CB ASP A 350 -0.911 -7.774 30.800 1.00 20.59 C ATOM 1186 CG ASP A 350 0.025 -8.791 30.192 1.00 20.46 C ATOM 1187 OD1 ASP A 350 0.574 -8.510 29.108 1.00 21.40 O ATOM 1188 OD2 ASP A 350 0.198 -9.875 30.790 1.00 21.02 O ATOM 1189 H ASP A 350 -2.913 -6.286 31.412 1.00 0.00 H ATOM 1190 N ASP A 351 -2.370 -8.016 27.598 1.00 22.31 N ATOM 1191 CA ASP A 351 -3.044 -8.963 26.703 1.00 23.37 C ATOM 1192 C ASP A 351 -2.161 -10.172 26.410 1.00 23.73 C ATOM 1193 O ASP A 351 -2.644 -11.181 25.889 1.00 24.14 O ATOM 1194 CB ASP A 351 -3.491 -8.271 25.405 1.00 23.70 C ATOM 1195 CG ASP A 351 -2.333 -7.881 24.512 1.00 24.90 C ATOM 1196 OD1 ASP A 351 -1.801 -8.762 23.807 1.00 25.21 O ATOM 1197 OD2 ASP A 351 -1.935 -6.697 24.512 1.00 25.51 O ATOM 1198 H ASP A 351 -1.779 -7.261 27.195 1.00 0.00 H ATOM 1199 N GLY A 352 -0.875 -10.065 26.740 1.00 23.01 N ATOM 1200 CA GLY A 352 0.072 -11.162 26.589 1.00 22.83 C ATOM 1201 C GLY A 352 0.925 -11.131 25.338 1.00 23.23 C ATOM 1202 O GLY A 352 1.889 -11.890 25.245 1.00 24.63 O ATOM 1203 H GLY A 352 -0.532 -9.160 27.122 1.00 0.00 H ATOM 1204 N LEU A 353 0.593 -10.257 24.385 1.00 22.47 N ATOM 1205 CA LEU A 353 1.308 -10.204 23.103 1.00 23.50 C ATOM 1206 C LEU A 353 1.641 -8.784 22.635 1.00 22.51 C ATOM 1207 O LEU A 353 2.754 -8.525 22.163 1.00 24.46 O ATOM 1208 CB LEU A 353 0.485 -10.926 22.032 1.00 23.74 C ATOM 1209 CG LEU A 353 1.103 -11.078 20.647 1.00 24.20 C ATOM 1210 CD1 LEU A 353 2.386 -11.897 20.665 1.00 24.56 C ATOM 1211 CD2 LEU A 353 0.076 -11.712 19.718 1.00 24.07 C ATOM 1212 H LEU A 353 -0.192 -9.597 24.555 1.00 0.00 H ATOM 1213 N GLN A 354 0.680 -7.874 22.762 1.00 21.59 N ATOM 1214 CA GLN A 354 0.834 -6.508 22.255 1.00 21.90 C ATOM 1215 C GLN A 354 0.945 -5.466 23.357 1.00 20.05 C ATOM 1216 O GLN A 354 0.718 -4.287 23.104 1.00 20.08 O ATOM 1217 CB GLN A 354 -0.347 -6.130 21.356 1.00 22.99 C ATOM 1218 CG GLN A 354 -0.695 -7.143 20.270 1.00 24.04 C ATOM 1219 CD GLN A 354 0.408 -7.366 19.247 1.00 25.54 C ATOM 1220 OE1 GLN A 354 1.452 -6.707 19.268 1.00 26.07 O ATOM 1221 NE2 GLN A 354 0.171 -8.303 18.324 1.00 27.27 N ATOM 1222 HE22 GLN A 354 -0.722 -8.836 18.342 1.00 0.00 H ATOM 1223 HE21 GLN A 354 0.879 -8.499 17.588 1.00 0.00 H ATOM 1224 H GLN A 354 -0.207 -8.140 23.235 1.00 0.00 H ATOM 1225 N SER A 355 1.319 -5.880 24.564 1.00 19.39 N ATOM 1226 CA SER A 355 1.278 -4.971 25.710 1.00 19.13 C ATOM 1227 C SER A 355 2.264 -3.814 25.592 1.00 17.85 C ATOM 1228 O SER A 355 2.050 -2.740 26.166 1.00 16.91 O ATOM 1229 CB SER A 355 1.525 -5.740 26.998 1.00 19.43 C ATOM 1230 OG SER A 355 0.517 -6.717 27.155 1.00 19.93 O ATOM 1231 HG SER A 355 0.674 -7.220 27.993 1.00 0.00 H ATOM 1232 H SER A 355 1.644 -6.859 24.695 1.00 0.00 H ATOM 1233 N ALA A 356 3.341 -4.014 24.843 1.00 17.26 N ATOM 1234 CA ALA A 356 4.282 -2.929 24.613 1.00 16.83 C ATOM 1235 C ALA A 356 3.664 -1.800 23.776 1.00 16.62 C ATOM 1236 O ALA A 356 3.973 -0.639 23.991 1.00 16.67 O ATOM 1237 CB ALA A 356 5.546 -3.451 23.957 1.00 17.84 C ATOM 1238 H ALA A 356 3.513 -4.948 24.420 1.00 0.00 H ATOM 1239 N PHE A 357 2.777 -2.139 22.851 1.00 16.26 N ATOM 1240 CA PHE A 357 2.115 -1.130 22.043 1.00 17.23 C ATOM 1241 C PHE A 357 1.121 -0.343 22.889 1.00 16.08 C ATOM 1242 O PHE A 357 1.050 0.879 22.779 1.00 16.40 O ATOM 1243 CB PHE A 357 1.439 -1.768 20.829 1.00 19.14 C ATOM 1244 CG PHE A 357 2.410 -2.203 19.776 1.00 21.58 C ATOM 1245 CD1 PHE A 357 2.787 -3.534 19.665 1.00 23.15 C ATOM 1246 CD2 PHE A 357 2.968 -1.273 18.910 1.00 23.19 C ATOM 1247 CE1 PHE A 357 3.691 -3.930 18.694 1.00 25.35 C ATOM 1248 CE2 PHE A 357 3.871 -1.662 17.939 1.00 24.78 C ATOM 1249 CZ PHE A 357 4.234 -2.992 17.834 1.00 25.34 C ATOM 1250 H PHE A 357 2.552 -3.143 22.702 1.00 0.00 H ATOM 1251 N THR A 358 0.375 -1.034 23.749 1.00 15.77 N ATOM 1252 CA THR A 358 -0.538 -0.347 24.659 1.00 16.34 C ATOM 1253 C THR A 358 0.255 0.562 25.594 1.00 15.62 C ATOM 1254 O THR A 358 -0.107 1.715 25.803 1.00 15.86 O ATOM 1255 CB THR A 358 -1.386 -1.332 25.465 1.00 17.45 C ATOM 1256 OG1 THR A 358 -2.047 -2.220 24.556 1.00 19.06 O ATOM 1257 CG2 THR A 358 -2.414 -0.594 26.298 1.00 17.59 C ATOM 1258 HG1 THR A 358 -2.599 -2.863 25.068 1.00 0.00 H ATOM 1259 H THR A 358 0.443 -2.071 23.773 1.00 0.00 H ATOM 1260 N ALA A 359 1.367 0.066 26.115 1.00 15.13 N ATOM 1261 CA ALA A 359 2.204 0.884 26.993 1.00 14.46 C ATOM 1262 C ALA A 359 2.698 2.124 26.244 1.00 14.79 C ATOM 1263 O ALA A 359 2.688 3.221 26.794 1.00 14.84 O ATOM 1264 CB ALA A 359 3.370 0.075 27.540 1.00 14.54 C ATOM 1265 H ALA A 359 1.647 -0.912 25.898 1.00 0.00 H ATOM 1266 N ALA A 360 3.122 1.956 24.991 1.00 14.29 N ATOM 1267 CA ALA A 360 3.571 3.097 24.192 1.00 14.16 C ATOM 1268 C ALA A 360 2.438 4.101 23.969 1.00 14.00 C ATOM 1269 O ALA A 360 2.662 5.302 24.044 1.00 14.93 O ATOM 1270 CB ALA A 360 4.194 2.660 22.877 1.00 14.89 C ATOM 1271 H ALA A 360 3.134 1.002 24.576 1.00 0.00 H ATOM 1272 N HIS A 361 1.229 3.610 23.721 1.00 14.00 N ATOM 1273 CA HIS A 361 0.059 4.491 23.545 1.00 14.39 C ATOM 1274 C HIS A 361 -0.202 5.318 24.816 1.00 14.53 C ATOM 1275 O HIS A 361 -0.394 6.540 24.758 1.00 15.10 O ATOM 1276 CB HIS A 361 -1.176 3.652 23.166 1.00 15.03 C ATOM 1277 CG HIS A 361 -2.420 4.450 22.934 1.00 15.61 C ATOM 1278 ND1 HIS A 361 -2.804 4.884 21.684 1.00 16.14 N ATOM 1279 CD2 HIS A 361 -3.387 4.858 23.784 1.00 16.10 C ATOM 1280 CE1 HIS A 361 -3.943 5.543 21.778 1.00 16.01 C ATOM 1281 NE2 HIS A 361 -4.318 5.538 23.040 1.00 15.45 N ATOM 1282 H HIS A 361 1.104 2.580 23.649 1.00 0.00 H ATOM 1283 N GLU A 362 -0.182 4.653 25.966 1.00 14.92 N ATOM 1284 CA GLU A 362 -0.483 5.348 27.209 1.00 15.17 C ATOM 1285 C GLU A 362 0.615 6.335 27.547 1.00 14.57 C ATOM 1286 O GLU A 362 0.341 7.451 27.988 1.00 14.61 O ATOM 1287 CB GLU A 362 -0.663 4.356 28.357 1.00 15.58 C ATOM 1288 CG GLU A 362 -1.794 3.351 28.142 1.00 16.61 C ATOM 1289 CD GLU A 362 -3.120 3.979 27.732 1.00 17.80 C ATOM 1290 OE1 GLU A 362 -3.381 5.142 28.106 1.00 18.90 O ATOM 1291 OE2 GLU A 362 -3.922 3.292 27.046 1.00 19.01 O ATOM 1292 H GLU A 362 0.048 3.639 25.978 1.00 0.00 H ATOM 1293 N LEU A 363 1.868 5.930 27.370 1.00 15.54 N ATOM 1294 CA LEU A 363 2.972 6.857 27.590 1.00 15.73 C ATOM 1295 C LEU A 363 2.963 8.024 26.571 1.00 15.09 C ATOM 1296 O LEU A 363 3.338 9.153 26.900 1.00 15.81 O ATOM 1297 CB LEU A 363 4.300 6.103 27.596 1.00 16.54 C ATOM 1298 CG LEU A 363 4.512 5.190 28.810 1.00 18.11 C ATOM 1299 CD1 LEU A 363 5.654 4.219 28.539 1.00 18.56 C ATOM 1300 CD2 LEU A 363 4.770 5.988 30.084 1.00 19.85 C ATOM 1301 H LEU A 363 2.061 4.952 27.075 1.00 0.00 H ATOM 1302 N GLY A 364 2.496 7.781 25.351 1.00 15.10 N ATOM 1303 CA GLY A 364 2.255 8.876 24.413 1.00 15.03 C ATOM 1304 C GLY A 364 1.305 9.920 24.990 1.00 15.58 C ATOM 1305 O GLY A 364 1.575 11.130 24.923 1.00 16.27 O ATOM 1306 H GLY A 364 2.300 6.802 25.060 1.00 0.00 H ATOM 1307 N HIS A 365 0.193 9.463 25.563 1.00 14.92 N ATOM 1308 CA HIS A 365 -0.728 10.381 26.260 1.00 15.37 C ATOM 1309 C HIS A 365 -0.026 11.139 27.391 1.00 15.97 C ATOM 1310 O HIS A 365 -0.234 12.339 27.557 1.00 16.30 O ATOM 1311 CB HIS A 365 -1.912 9.637 26.853 1.00 15.99 C ATOM 1312 CG HIS A 365 -2.952 9.256 25.856 1.00 16.48 C ATOM 1313 ND1 HIS A 365 -3.500 10.158 24.968 1.00 17.94 N ATOM 1314 CD2 HIS A 365 -3.585 8.082 25.645 1.00 17.18 C ATOM 1315 CE1 HIS A 365 -4.415 9.545 24.239 1.00 17.60 C ATOM 1316 NE2 HIS A 365 -4.490 8.290 24.637 1.00 16.76 N ATOM 1317 H HIS A 365 -0.029 8.448 25.519 1.00 0.00 H ATOM 1318 N VAL A 366 0.801 10.439 28.167 1.00 15.54 N ATOM 1319 CA VAL A 366 1.525 11.065 29.277 1.00 15.77 C ATOM 1320 C VAL A 366 2.404 12.200 28.745 1.00 16.42 C ATOM 1321 O VAL A 366 2.553 13.228 29.417 1.00 16.15 O ATOM 1322 CB VAL A 366 2.338 10.029 30.093 1.00 15.68 C ATOM 1323 CG1 VAL A 366 3.240 10.706 31.117 1.00 15.95 C ATOM 1324 CG2 VAL A 366 1.414 9.069 30.805 1.00 15.59 C ATOM 1325 H VAL A 366 0.936 9.425 27.981 1.00 0.00 H ATOM 1326 N PHE A 367 2.921 12.017 27.520 1.00 17.23 N ATOM 1327 CA PHE A 367 3.702 13.028 26.796 1.00 17.94 C ATOM 1328 C PHE A 367 2.874 14.037 25.971 1.00 18.26 C ATOM 1329 O PHE A 367 3.409 14.749 25.114 1.00 18.49 O ATOM 1330 CB PHE A 367 4.738 12.338 25.907 1.00 18.50 C ATOM 1331 CG PHE A 367 5.997 12.019 26.619 1.00 19.56 C ATOM 1332 CD1 PHE A 367 6.225 10.748 27.107 1.00 20.10 C ATOM 1333 CD2 PHE A 367 6.952 13.011 26.839 1.00 20.04 C ATOM 1334 CE1 PHE A 367 7.395 10.453 27.775 1.00 20.84 C ATOM 1335 CE2 PHE A 367 8.124 12.716 27.502 1.00 20.25 C ATOM 1336 CZ PHE A 367 8.340 11.442 27.979 1.00 20.87 C ATOM 1337 H PHE A 367 2.758 11.101 27.054 1.00 0.00 H ATOM 1338 N ASN A 368 1.577 14.097 26.258 1.00 17.76 N ATOM 1339 CA ASN A 368 0.640 15.107 25.713 1.00 18.68 C ATOM 1340 C ASN A 368 0.135 14.821 24.311 1.00 18.56 C ATOM 1341 O ASN A 368 -0.418 15.710 23.650 1.00 20.10 O ATOM 1342 CB ASN A 368 1.227 16.526 25.764 1.00 19.92 C ATOM 1343 CG ASN A 368 0.157 17.593 25.915 1.00 20.34 C ATOM 1344 OD1 ASN A 368 -0.786 17.428 26.687 1.00 22.30 O ATOM 1345 ND2 ASN A 368 0.285 18.687 25.167 1.00 21.13 N ATOM 1346 HD22 ASN A 368 1.098 18.787 24.527 1.00 0.00 H ATOM 1347 HD21 ASN A 368 -0.428 19.442 25.223 1.00 0.00 H ATOM 1348 H ASN A 368 1.193 13.385 26.911 1.00 0.00 H ATOM 1349 N MET A 369 0.266 13.577 23.863 1.00 17.70 N ATOM 1350 CA MET A 369 -0.189 13.245 22.525 1.00 17.56 C ATOM 1351 C MET A 369 -1.688 13.010 22.523 1.00 17.78 C ATOM 1352 O MET A 369 -2.256 12.468 23.497 1.00 18.45 O ATOM 1353 CB MET A 369 0.524 12.016 21.987 1.00 17.30 C ATOM 1354 CG MET A 369 2.028 12.169 21.862 1.00 17.12 C ATOM 1355 SD MET A 369 2.720 10.614 21.282 1.00 17.32 S ATOM 1356 CE MET A 369 4.467 10.888 21.495 1.00 17.62 C ATOM 1357 H MET A 369 0.692 12.846 24.467 1.00 0.00 H ATOM 1358 N LEU A 370 -2.306 13.418 21.414 1.00 18.90 N ATOM 1359 CA LEU A 370 -3.712 13.167 21.129 1.00 19.89 C ATOM 1360 C LEU A 370 -3.848 11.941 20.245 1.00 19.53 C ATOM 1361 O LEU A 370 -2.860 11.444 19.679 1.00 18.92 O ATOM 1362 CB LEU A 370 -4.314 14.358 20.366 1.00 21.68 C ATOM 1363 CG LEU A 370 -4.174 15.768 20.947 1.00 23.88 C ATOM 1364 CD1 LEU A 370 -4.608 16.811 19.928 1.00 25.37 C ATOM 1365 CD2 LEU A 370 -4.978 15.879 22.222 1.00 24.70 C ATOM 1366 H LEU A 370 -1.751 13.947 20.711 1.00 0.00 H ATOM 1367 N HIS A 371 -5.080 11.478 20.074 1.00 19.79 N ATOM 1368 CA HIS A 371 -5.347 10.461 19.063 1.00 20.12 C ATOM 1369 C HIS A 371 -5.246 11.034 17.671 1.00 21.20 C ATOM 1370 O HIS A 371 -5.555 12.205 17.447 1.00 22.14 O ATOM 1371 CB HIS A 371 -6.728 9.849 19.218 1.00 20.05 C ATOM 1372 CG HIS A 371 -6.886 9.013 20.440 1.00 20.46 C ATOM 1373 ND1 HIS A 371 -8.123 8.698 20.958 1.00 21.29 N ATOM 1374 CD2 HIS A 371 -5.974 8.436 21.263 1.00 19.65 C ATOM 1375 CE1 HIS A 371 -7.969 7.959 22.038 1.00 21.47 C ATOM 1376 NE2 HIS A 371 -6.677 7.791 22.248 1.00 21.20 N ATOM 1377 H HIS A 371 -5.857 11.841 20.662 1.00 0.00 H ATOM 1378 N ASP A 372 -4.865 10.179 16.729 1.00 20.45 N ATOM 1379 CA ASP A 372 -4.589 10.612 15.367 1.00 21.71 C ATOM 1380 C ASP A 372 -5.837 10.960 14.557 1.00 23.46 C ATOM 1381 O ASP A 372 -5.707 11.516 13.466 1.00 23.85 O ATOM 1382 CB ASP A 372 -3.755 9.561 14.633 1.00 21.51 C ATOM 1383 CG ASP A 372 -2.301 9.584 15.048 1.00 21.26 C ATOM 1384 OD1 ASP A 372 -1.760 10.690 15.253 1.00 22.41 O ATOM 1385 OD2 ASP A 372 -1.693 8.498 15.147 1.00 21.77 O ATOM 1386 H ASP A 372 -4.761 9.173 16.971 1.00 0.00 H ATOM 1387 N ASN A 373 -7.020 10.639 15.078 1.00 25.04 N ATOM 1388 CA ASN A 373 -8.280 11.031 14.434 1.00 26.97 C ATOM 1389 C ASN A 373 -8.904 12.283 15.056 1.00 28.03 C ATOM 1390 O ASN A 373 -10.002 12.690 14.673 1.00 29.85 O ATOM 1391 CB ASN A 373 -9.280 9.866 14.428 1.00 27.47 C ATOM 1392 CG ASN A 373 -9.795 9.519 15.810 1.00 27.81 C ATOM 1393 OD1 ASN A 373 -9.093 9.684 16.809 1.00 27.41 O ATOM 1394 ND2 ASN A 373 -11.027 9.020 15.874 1.00 28.71 N ATOM 1395 HD22 ASN A 373 -11.584 8.898 15.005 1.00 0.00 H ATOM 1396 HD21 ASN A 373 -11.432 8.752 16.794 1.00 0.00 H ATOM 1397 H ASN A 373 -7.052 10.096 15.965 1.00 0.00 H ATOM 1398 N SER A 374 -8.200 12.894 16.008 1.00 27.36 N ATOM 1399 CA SER A 374 -8.605 14.183 16.575 1.00 28.55 C ATOM 1400 C SER A 374 -8.462 15.290 15.524 1.00 29.34 C ATOM 1401 O SER A 374 -7.703 15.149 14.572 1.00 28.33 O ATOM 1402 CB SER A 374 -7.746 14.513 17.797 1.00 28.70 C ATOM 1403 OG SER A 374 -6.433 14.864 17.397 1.00 28.54 O ATOM 1404 HG SER A 374 -6.024 14.106 16.910 1.00 0.00 H ATOM 1405 H SER A 374 -7.333 12.440 16.361 1.00 0.00 H ATOM 1406 N LYS A 375 -9.186 16.393 15.705 1.00 31.80 N ATOM 1407 CA LYS A 375 -9.180 17.478 14.713 1.00 33.42 C ATOM 1408 C LYS A 375 -7.791 18.100 14.496 1.00 32.83 C ATOM 1409 O LYS A 375 -7.394 18.321 13.347 1.00 35.71 O ATOM 1410 CB LYS A 375 -10.205 18.562 15.071 1.00 34.85 C ATOM 1411 CG LYS A 375 -11.650 18.115 14.925 1.00 36.11 C ATOM 1412 CD LYS A 375 -12.610 19.261 15.206 1.00 37.24 C ATOM 1413 CE LYS A 375 -14.054 18.785 15.229 1.00 38.08 C ATOM 1414 NZ LYS A 375 -15.002 19.889 15.554 1.00 38.87 N ATOM 1415 HZ1 LYS A 375 -14.773 20.277 16.491 1.00 0.00 H ATOM 1416 HZ2 LYS A 375 -14.918 20.638 14.838 1.00 0.00 H ATOM 1417 HZ3 LYS A 375 -15.974 19.519 15.559 1.00 0.00 H ATOM 1418 H LYS A 375 -9.766 16.488 16.563 1.00 0.00 H ATOM 1419 N PRO A 376 -7.044 18.371 15.588 1.00 32.86 N ATOM 1420 CA PRO A 376 -5.688 18.906 15.404 1.00 31.78 C ATOM 1421 C PRO A 376 -4.782 17.965 14.613 1.00 31.03 C ATOM 1422 O PRO A 376 -3.948 18.417 13.826 1.00 31.59 O ATOM 1423 CB PRO A 376 -5.172 19.076 16.837 1.00 32.02 C ATOM 1424 CG PRO A 376 -6.391 19.144 17.685 1.00 32.68 C ATOM 1425 CD PRO A 376 -7.392 18.256 17.014 1.00 31.91 C ATOM 1426 N CYS A 377 -4.955 16.664 14.808 1.00 28.72 N ATOM 1427 CA CYS A 377 -4.119 15.693 14.119 1.00 27.23 C ATOM 1428 C CYS A 377 -4.428 15.610 12.621 1.00 28.86 C ATOM 1429 O CYS A 377 -3.524 15.358 11.835 1.00 29.80 O ATOM 1430 CB CYS A 377 -4.198 14.321 14.789 1.00 26.04 C ATOM 1431 SG CYS A 377 -3.298 14.241 16.363 1.00 24.36 S ATOM 1432 H CYS A 377 -5.696 16.335 15.460 1.00 0.00 H ATOM 1433 N ILE A 378 -5.680 15.860 12.231 1.00 30.91 N ATOM 1434 CA ILE A 378 -6.076 15.845 10.805 1.00 31.80 C ATOM 1435 C ILE A 378 -5.205 16.809 9.998 1.00 31.37 C ATOM 1436 O ILE A 378 -4.685 16.464 8.928 1.00 29.31 O ATOM 1437 CB ILE A 378 -7.551 16.277 10.585 1.00 34.07 C ATOM 1438 CG1 ILE A 378 -8.537 15.496 11.470 1.00 34.40 C ATOM 1439 CG2 ILE A 378 -7.939 16.104 9.119 1.00 34.66 C ATOM 1440 CD1 ILE A 378 -8.489 13.987 11.324 1.00 33.61 C ATOM 1441 H ILE A 378 -6.399 16.072 12.952 1.00 0.00 H ATOM 1442 N SER A 379 -5.058 18.017 10.530 1.00 30.96 N ATOM 1443 CA SER A 379 -4.291 19.078 9.887 1.00 31.33 C ATOM 1444 C SER A 379 -2.772 18.861 9.923 1.00 29.68 C ATOM 1445 O SER A 379 -2.050 19.380 9.070 1.00 30.94 O ATOM 1446 CB SER A 379 -4.618 20.411 10.556 1.00 33.98 C ATOM 1447 OG SER A 379 -6.016 20.566 10.736 1.00 37.75 O ATOM 1448 HG SER A 379 -6.197 21.437 11.171 1.00 0.00 H ATOM 1449 H SER A 379 -5.510 18.215 11.446 1.00 0.00 H ATOM 1450 N LEU A 380 -2.284 18.122 10.921 1.00 27.23 N ATOM 1451 CA LEU A 380 -0.854 17.804 11.015 1.00 26.35 C ATOM 1452 C LEU A 380 -0.479 16.515 10.264 1.00 26.25 C ATOM 1453 O LEU A 380 0.649 16.377 9.797 1.00 26.52 O ATOM 1454 CB LEU A 380 -0.418 17.712 12.489 1.00 25.00 C ATOM 1455 CG LEU A 380 -0.272 19.044 13.245 1.00 24.87 C ATOM 1456 CD1 LEU A 380 -0.371 18.834 14.749 1.00 24.31 C ATOM 1457 CD2 LEU A 380 1.030 19.750 12.891 1.00 24.99 C ATOM 1458 H LEU A 380 -2.933 17.762 11.650 1.00 0.00 H ATOM 1459 N ASN A 381 -1.422 15.581 10.144 1.00 26.22 N ATOM 1460 CA ASN A 381 -1.155 14.292 9.502 1.00 26.22 C ATOM 1461 C ASN A 381 -1.443 14.273 8.003 1.00 28.02 C ATOM 1462 O ASN A 381 -0.834 13.491 7.275 1.00 28.77 O ATOM 1463 CB ASN A 381 -1.948 13.177 10.180 1.00 25.66 C ATOM 1464 CG ASN A 381 -1.432 12.863 11.568 1.00 24.81 C ATOM 1465 OD1 ASN A 381 -0.284 13.169 11.894 1.00 24.47 O ATOM 1466 ND2 ASN A 381 -2.271 12.233 12.383 1.00 24.71 N ATOM 1467 HD22 ASN A 381 -3.231 11.997 12.060 1.00 0.00 H ATOM 1468 HD21 ASN A 381 -1.968 11.976 13.344 1.00 0.00 H ATOM 1469 H ASN A 381 -2.374 15.773 10.517 1.00 0.00 H ATOM 1470 N GLY A 382 -2.365 15.122 7.556 1.00 29.51 N ATOM 1471 CA GLY A 382 -2.781 15.136 6.155 1.00 31.33 C ATOM 1472 C GLY A 382 -3.851 14.088 5.902 1.00 33.60 C ATOM 1473 O GLY A 382 -4.180 13.304 6.794 1.00 35.47 O ATOM 1474 H GLY A 382 -2.801 15.793 8.221 1.00 0.00 H ATOM 1475 N PRO A 383 -4.412 14.071 4.685 1.00 36.81 N ATOM 1476 CA PRO A 383 -5.516 13.166 4.353 1.00 38.47 C ATOM 1477 C PRO A 383 -5.085 11.712 4.131 1.00 40.36 C ATOM 1478 O PRO A 383 -5.880 10.796 4.362 1.00 42.16 O ATOM 1479 CB PRO A 383 -6.075 13.765 3.059 1.00 38.57 C ATOM 1480 CG PRO A 383 -4.906 14.426 2.421 1.00 38.01 C ATOM 1481 CD PRO A 383 -4.030 14.920 3.543 1.00 37.91 C ATOM 1482 N LEU A 384 -3.842 11.506 3.695 1.00 40.72 N ATOM 1483 CA LEU A 384 -3.346 10.170 3.371 1.00 41.25 C ATOM 1484 C LEU A 384 -2.663 9.524 4.569 1.00 41.34 C ATOM 1485 O LEU A 384 -2.691 8.302 4.719 1.00 42.60 O ATOM 1486 CB LEU A 384 -2.379 10.238 2.185 1.00 41.47 C ATOM 1487 CG LEU A 384 -3.004 10.690 0.861 1.00 42.23 C ATOM 1488 CD1 LEU A 384 -1.916 11.013 -0.149 1.00 42.40 C ATOM 1489 CD2 LEU A 384 -3.945 9.626 0.316 1.00 42.23 C ATOM 1490 H LEU A 384 -3.206 12.321 3.582 1.00 0.00 H TER 1491 LEU A 384 ATOM 1492 N SER A 387 -4.633 4.946 10.023 1.00 42.03 N ATOM 1493 CA SER A 387 -4.859 4.332 11.332 1.00 40.62 C ATOM 1494 C SER A 387 -3.726 3.368 11.699 1.00 38.30 C ATOM 1495 O SER A 387 -3.941 2.348 12.353 1.00 39.56 O ATOM 1496 CB SER A 387 -6.204 3.602 11.340 1.00 42.95 C ATOM 1497 OG SER A 387 -7.189 4.346 10.642 1.00 44.94 O ATOM 1498 HG SER A 387 -8.048 3.854 10.661 1.00 0.00 H ATOM 1499 HN3 SER A 387 -4.582 4.203 9.297 1.00 0.00 H ATOM 1500 HN2 SER A 387 -3.739 5.477 10.040 1.00 0.00 H ATOM 1501 HN1 SER A 387 -5.418 5.593 9.805 1.00 0.00 H ATOM 1502 N ARG A 388 -2.511 3.752 11.326 1.00 34.11 N ATOM 1503 CA ARG A 388 -1.370 2.856 11.285 1.00 30.49 C ATOM 1504 C ARG A 388 -0.284 3.290 12.268 1.00 25.82 C ATOM 1505 O ARG A 388 0.872 2.922 12.107 1.00 23.06 O ATOM 1506 CB ARG A 388 -0.804 2.805 9.853 1.00 33.30 C ATOM 1507 CG ARG A 388 -0.984 4.095 9.053 1.00 36.11 C ATOM 1508 CD ARG A 388 -0.346 4.018 7.679 1.00 37.85 C ATOM 1509 NE ARG A 388 1.063 4.394 7.714 1.00 39.87 N ATOM 1510 CZ ARG A 388 1.524 5.644 7.675 1.00 41.48 C ATOM 1511 NH1 ARG A 388 0.697 6.685 7.598 1.00 42.77 N ATOM 1512 NH2 ARG A 388 2.833 5.855 7.716 1.00 42.13 N ATOM 1513 HE ARG A 388 1.763 3.627 7.774 1.00 0.00 H ATOM 1514 HH12 ARG A 388 1.079 7.652 7.569 1.00 0.00 H ATOM 1515 HH11 ARG A 388 -0.331 6.531 7.567 1.00 0.00 H ATOM 1516 HH22 ARG A 388 3.204 6.826 7.686 1.00 0.00 H ATOM 1517 HH21 ARG A 388 3.488 5.049 7.778 1.00 0.00 H ATOM 1518 H ARG A 388 -2.370 4.745 11.049 1.00 0.00 H ATOM 1519 N HIS A 389 -0.651 4.063 13.294 1.00 22.49 N ATOM 1520 CA HIS A 389 0.344 4.595 14.234 1.00 21.31 C ATOM 1521 C HIS A 389 -0.033 4.275 15.671 1.00 19.31 C ATOM 1522 O HIS A 389 -1.149 3.847 15.948 1.00 18.56 O ATOM 1523 CB HIS A 389 0.497 6.112 14.102 1.00 21.97 C ATOM 1524 CG HIS A 389 0.731 6.582 12.702 1.00 23.75 C ATOM 1525 ND1 HIS A 389 1.924 6.395 12.038 1.00 24.23 N ATOM 1526 CD2 HIS A 389 -0.077 7.250 11.848 1.00 25.58 C ATOM 1527 CE1 HIS A 389 1.835 6.917 10.827 1.00 25.59 C ATOM 1528 NE2 HIS A 389 0.631 7.443 10.687 1.00 26.36 N ATOM 1529 H HIS A 389 -1.657 4.291 13.429 1.00 0.00 H ATOM 1530 N VAL A 390 0.910 4.497 16.578 1.00 18.08 N ATOM 1531 CA VAL A 390 0.707 4.202 18.010 1.00 17.12 C ATOM 1532 C VAL A 390 -0.473 4.966 18.602 1.00 17.57 C ATOM 1533 O VAL A 390 -1.218 4.422 19.414 1.00 17.08 O ATOM 1534 CB VAL A 390 1.994 4.469 18.832 1.00 17.15 C ATOM 1535 CG1 VAL A 390 1.746 4.372 20.331 1.00 17.55 C ATOM 1536 CG2 VAL A 390 3.079 3.480 18.441 1.00 18.00 C ATOM 1537 H VAL A 390 1.822 4.892 16.270 1.00 0.00 H ATOM 1538 N MET A 391 -0.687 6.200 18.157 1.00 16.74 N ATOM 1539 CA MET A 391 -1.754 7.001 18.738 1.00 17.27 C ATOM 1540 C MET A 391 -3.064 6.915 17.960 1.00 17.25 C ATOM 1541 O MET A 391 -3.926 7.787 18.084 1.00 17.87 O ATOM 1542 CB MET A 391 -1.300 8.439 18.923 1.00 17.02 C ATOM 1543 CG MET A 391 -0.110 8.571 19.867 1.00 16.49 C ATOM 1544 SD MET A 391 -0.278 7.747 21.466 1.00 16.38 S ATOM 1545 CE MET A 391 -1.674 8.597 22.199 1.00 16.47 C ATOM 1546 H MET A 391 -0.095 6.591 17.397 1.00 0.00 H ATOM 1547 N ALA A 392 -3.237 5.846 17.182 1.00 18.44 N ATOM 1548 CA ALA A 392 -4.565 5.517 16.667 1.00 19.85 C ATOM 1549 C ALA A 392 -5.503 5.334 17.869 1.00 21.19 C ATOM 1550 O ALA A 392 -5.062 4.956 18.949 1.00 19.71 O ATOM 1551 CB ALA A 392 -4.515 4.245 15.847 1.00 20.16 C ATOM 1552 H ALA A 392 -2.424 5.244 16.941 1.00 0.00 H ATOM 1553 N PRO A 393 -6.801 5.628 17.703 1.00 23.10 N ATOM 1554 CA PRO A 393 -7.709 5.530 18.861 1.00 24.54 C ATOM 1555 C PRO A 393 -8.010 4.102 19.317 1.00 26.09 C ATOM 1556 O PRO A 393 -8.399 3.887 20.470 1.00 27.70 O ATOM 1557 CB PRO A 393 -8.984 6.225 18.365 1.00 24.91 C ATOM 1558 CG PRO A 393 -8.925 6.127 16.890 1.00 24.73 C ATOM 1559 CD PRO A 393 -7.471 6.185 16.519 1.00 24.10 C ATOM 1560 N VAL A 394 -7.828 3.139 18.418 1.00 26.77 N ATOM 1561 CA VAL A 394 -7.912 1.720 18.762 1.00 28.29 C ATOM 1562 C VAL A 394 -6.716 1.019 18.152 1.00 28.12 C ATOM 1563 O VAL A 394 -6.154 1.485 17.159 1.00 27.34 O ATOM 1564 CB VAL A 394 -9.205 1.060 18.246 1.00 29.53 C ATOM 1565 CG1 VAL A 394 -10.422 1.783 18.801 1.00 29.46 C ATOM 1566 CG2 VAL A 394 -9.241 1.028 16.723 1.00 30.40 C ATOM 1567 H VAL A 394 -7.618 3.405 17.435 1.00 0.00 H ATOM 1568 N MET A 395 -6.333 -0.107 18.731 1.00 28.61 N ATOM 1569 CA MET A 395 -5.133 -0.770 18.263 1.00 29.82 C ATOM 1570 C MET A 395 -5.335 -1.332 16.868 1.00 30.01 C ATOM 1571 O MET A 395 -6.301 -2.043 16.604 1.00 29.83 O ATOM 1572 CB MET A 395 -4.700 -1.883 19.194 1.00 31.50 C ATOM 1573 CG MET A 395 -3.367 -2.457 18.759 1.00 33.22 C ATOM 1574 SD MET A 395 -2.734 -3.694 19.876 1.00 35.56 S ATOM 1575 CE MET A 395 -2.294 -2.703 21.305 1.00 34.88 C ATOM 1576 H MET A 395 -6.887 -0.511 19.513 1.00 0.00 H ATOM 1577 N ALA A 396 -4.404 -0.992 15.988 1.00 31.08 N ATOM 1578 CA ALA A 396 -4.350 -1.544 14.643 1.00 32.23 C ATOM 1579 C ALA A 396 -2.887 -1.839 14.368 1.00 32.65 C ATOM 1580 O ALA A 396 -2.028 -1.543 15.201 1.00 31.58 O ATOM 1581 CB ALA A 396 -4.892 -0.544 13.638 1.00 33.22 C ATOM 1582 H ALA A 396 -3.681 -0.301 16.271 1.00 0.00 H ATOM 1583 N HIS A 397 -2.598 -2.412 13.205 1.00 33.02 N ATOM 1584 CA HIS A 397 -1.224 -2.756 12.859 1.00 32.56 C ATOM 1585 C HIS A 397 -0.380 -1.493 12.673 1.00 30.79 C ATOM 1586 O HIS A 397 -0.668 -0.662 11.803 1.00 31.56 O ATOM 1587 CB HIS A 397 -1.180 -3.616 11.599 1.00 33.55 C ATOM 1588 CG HIS A 397 0.208 -3.950 11.161 1.00 34.63 C ATOM 1589 ND1 HIS A 397 0.955 -4.944 11.754 1.00 35.51 N ATOM 1590 CD2 HIS A 397 1.000 -3.395 10.214 1.00 35.36 C ATOM 1591 CE1 HIS A 397 2.144 -4.998 11.179 1.00 35.93 C ATOM 1592 NE2 HIS A 397 2.195 -4.070 10.241 1.00 36.17 N ATOM 1593 H HIS A 397 -3.363 -2.618 12.531 1.00 0.00 H ATOM 1594 N VAL A 398 0.656 -1.363 13.501 1.00 28.43 N ATOM 1595 CA VAL A 398 1.489 -0.170 13.549 1.00 27.05 C ATOM 1596 C VAL A 398 2.572 -0.249 12.477 1.00 26.74 C ATOM 1597 O VAL A 398 3.261 -1.263 12.358 1.00 27.48 O ATOM 1598 CB VAL A 398 2.122 0.007 14.947 1.00 26.14 C ATOM 1599 CG1 VAL A 398 3.103 1.172 14.973 1.00 25.78 C ATOM 1600 CG2 VAL A 398 1.031 0.236 15.984 1.00 26.11 C ATOM 1601 H VAL A 398 0.880 -2.150 14.143 1.00 0.00 H ATOM 1602 N ASP A 399 2.708 0.836 11.717 1.00 25.92 N ATOM 1603 CA ASP A 399 3.694 0.954 10.639 1.00 25.90 C ATOM 1604 C ASP A 399 5.120 0.919 11.207 1.00 25.47 C ATOM 1605 O ASP A 399 5.484 1.774 12.012 1.00 25.22 O ATOM 1606 CB ASP A 399 3.444 2.281 9.907 1.00 26.60 C ATOM 1607 CG ASP A 399 4.283 2.447 8.655 1.00 27.44 C ATOM 1608 OD1 ASP A 399 5.305 1.755 8.509 1.00 28.56 O ATOM 1609 OD2 ASP A 399 3.908 3.293 7.812 1.00 28.84 O ATOM 1610 H ASP A 399 2.080 1.645 11.898 1.00 0.00 H ATOM 1611 N PRO A 400 5.943 -0.074 10.803 1.00 24.75 N ATOM 1612 CA PRO A 400 7.288 -0.139 11.389 1.00 24.27 C ATOM 1613 C PRO A 400 8.188 1.055 11.029 1.00 24.58 C ATOM 1614 O PRO A 400 9.082 1.399 11.794 1.00 25.30 O ATOM 1615 CB PRO A 400 7.862 -1.465 10.857 1.00 24.08 C ATOM 1616 CG PRO A 400 6.977 -1.874 9.731 1.00 24.53 C ATOM 1617 CD PRO A 400 5.647 -1.221 9.925 1.00 24.83 C ATOM 1618 N GLU A 401 7.938 1.687 9.886 1.00 23.75 N ATOM 1619 CA GLU A 401 8.711 2.868 9.468 1.00 24.53 C ATOM 1620 C GLU A 401 8.186 4.183 10.049 1.00 25.15 C ATOM 1621 O GLU A 401 8.825 5.229 9.905 1.00 26.50 O ATOM 1622 CB GLU A 401 8.725 2.983 7.938 1.00 24.25 C ATOM 1623 CG GLU A 401 9.828 2.184 7.266 1.00 24.49 C ATOM 1624 CD GLU A 401 9.632 0.688 7.377 1.00 23.85 C ATOM 1625 OE1 GLU A 401 8.710 0.155 6.721 1.00 23.64 O ATOM 1626 OE2 GLU A 401 10.416 0.043 8.103 1.00 24.74 O ATOM 1627 H GLU A 401 7.176 1.337 9.271 1.00 0.00 H ATOM 1628 N GLU A 402 7.013 4.149 10.669 1.00 25.43 N ATOM 1629 CA GLU A 402 6.432 5.367 11.221 1.00 25.35 C ATOM 1630 C GLU A 402 5.487 5.031 12.376 1.00 23.48 C ATOM 1631 O GLU A 402 4.270 5.184 12.256 1.00 23.86 O ATOM 1632 CB GLU A 402 5.709 6.137 10.114 1.00 27.53 C ATOM 1633 CG GLU A 402 5.621 7.636 10.355 1.00 29.78 C ATOM 1634 CD GLU A 402 4.828 8.360 9.282 1.00 32.90 C ATOM 1635 OE1 GLU A 402 4.403 7.710 8.300 1.00 33.94 O ATOM 1636 OE2 GLU A 402 4.628 9.588 9.420 1.00 34.65 O ATOM 1637 H GLU A 402 6.504 3.247 10.762 1.00 0.00 H ATOM 1638 N PRO A 403 6.049 4.554 13.504 1.00 22.15 N ATOM 1639 CA PRO A 403 5.187 4.281 14.657 1.00 21.20 C ATOM 1640 C PRO A 403 4.459 5.522 15.158 1.00 20.47 C ATOM 1641 O PRO A 403 3.338 5.405 15.645 1.00 21.02 O ATOM 1642 CB PRO A 403 6.160 3.751 15.719 1.00 21.50 C ATOM 1643 CG PRO A 403 7.512 4.207 15.277 1.00 21.94 C ATOM 1644 CD PRO A 403 7.451 4.197 13.778 1.00 21.70 C ATOM 1645 N TRP A 404 5.090 6.690 15.033 1.00 18.54 N ATOM 1646 CA TRP A 404 4.487 7.945 15.473 1.00 18.53 C ATOM 1647 C TRP A 404 4.105 8.776 14.266 1.00 18.82 C ATOM 1648 O TRP A 404 4.900 8.946 13.353 1.00 20.06 O ATOM 1649 CB TRP A 404 5.457 8.722 16.351 1.00 18.13 C ATOM 1650 CG TRP A 404 5.952 7.919 17.470 1.00 17.63 C ATOM 1651 CD1 TRP A 404 7.156 7.298 17.549 1.00 17.73 C ATOM 1652 CD2 TRP A 404 5.255 7.602 18.686 1.00 17.25 C ATOM 1653 NE1 TRP A 404 7.265 6.620 18.737 1.00 17.87 N ATOM 1654 CE2 TRP A 404 6.111 6.788 19.453 1.00 17.12 C ATOM 1655 CE3 TRP A 404 3.994 7.924 19.196 1.00 16.72 C ATOM 1656 CZ2 TRP A 404 5.754 6.302 20.698 1.00 17.14 C ATOM 1657 CZ3 TRP A 404 3.640 7.437 20.427 1.00 17.03 C ATOM 1658 CH2 TRP A 404 4.516 6.644 21.173 1.00 16.99 C ATOM 1659 HE1 TRP A 404 8.091 6.068 19.044 1.00 0.00 H ATOM 1660 H TRP A 404 6.040 6.708 14.610 1.00 0.00 H ATOM 1661 N SER A 405 2.875 9.272 14.267 1.00 18.62 N ATOM 1662 CA SER A 405 2.411 10.178 13.227 1.00 19.90 C ATOM 1663 C SER A 405 3.092 11.542 13.360 1.00 19.93 C ATOM 1664 O SER A 405 3.678 11.861 14.403 1.00 20.30 O ATOM 1665 CB SER A 405 0.913 10.356 13.368 1.00 19.90 C ATOM 1666 OG SER A 405 0.630 11.050 14.576 1.00 20.74 O ATOM 1667 HG SER A 405 -0.349 11.166 14.667 1.00 0.00 H ATOM 1668 H SER A 405 2.224 9.006 15.033 1.00 0.00 H ATOM 1669 N PRO A 406 3.002 12.378 12.311 1.00 20.04 N ATOM 1670 CA PRO A 406 3.476 13.751 12.455 1.00 20.14 C ATOM 1671 C PRO A 406 2.794 14.518 13.598 1.00 19.48 C ATOM 1672 O PRO A 406 3.419 15.370 14.241 1.00 20.18 O ATOM 1673 CB PRO A 406 3.128 14.379 11.099 1.00 20.62 C ATOM 1674 CG PRO A 406 3.151 13.241 10.155 1.00 20.58 C ATOM 1675 CD PRO A 406 2.628 12.063 10.919 1.00 20.69 C ATOM 1676 N CYS A 407 1.523 14.225 13.845 1.00 19.51 N ATOM 1677 CA CYS A 407 0.811 14.858 14.940 1.00 19.22 C ATOM 1678 C CYS A 407 1.439 14.488 16.283 1.00 18.72 C ATOM 1679 O CYS A 407 1.653 15.360 17.123 1.00 18.37 O ATOM 1680 CB CYS A 407 -0.653 14.450 14.949 1.00 20.17 C ATOM 1681 SG CYS A 407 -1.631 15.417 16.113 1.00 22.15 S ATOM 1682 H CYS A 407 1.031 13.532 13.246 1.00 0.00 H ATOM 1683 N SER A 408 1.728 13.204 16.469 1.00 17.84 N ATOM 1684 CA SER A 408 2.357 12.741 17.719 1.00 17.33 C ATOM 1685 C SER A 408 3.710 13.427 17.916 1.00 17.33 C ATOM 1686 O SER A 408 4.025 13.928 18.997 1.00 17.52 O ATOM 1687 CB SER A 408 2.538 11.214 17.732 1.00 16.67 C ATOM 1688 OG SER A 408 1.290 10.547 17.835 1.00 17.61 O ATOM 1689 HG SER A 408 0.722 10.791 17.061 1.00 0.00 H ATOM 1690 H SER A 408 1.507 12.516 15.721 1.00 0.00 H ATOM 1691 N ALA A 409 4.516 13.459 16.857 1.00 17.75 N ATOM 1692 CA ALA A 409 5.817 14.123 16.911 1.00 18.02 C ATOM 1693 C ALA A 409 5.681 15.590 17.278 1.00 18.24 C ATOM 1694 O ALA A 409 6.445 16.094 18.087 1.00 18.60 O ATOM 1695 CB ALA A 409 6.540 13.986 15.586 1.00 18.56 C ATOM 1696 H ALA A 409 4.214 13.002 15.973 1.00 0.00 H ATOM 1697 N ARG A 410 4.711 16.276 16.677 1.00 18.43 N ATOM 1698 CA ARG A 410 4.515 17.697 16.959 1.00 19.55 C ATOM 1699 C ARG A 410 4.148 17.913 18.424 1.00 18.81 C ATOM 1700 O ARG A 410 4.690 18.804 19.085 1.00 19.51 O ATOM 1701 CB ARG A 410 3.440 18.297 16.043 1.00 20.31 C ATOM 1702 CG ARG A 410 3.067 19.737 16.363 1.00 21.80 C ATOM 1703 CD ARG A 410 4.259 20.671 16.272 1.00 22.52 C ATOM 1704 NE ARG A 410 3.870 22.065 16.473 1.00 23.17 N ATOM 1705 CZ ARG A 410 3.444 22.891 15.516 1.00 23.77 C ATOM 1706 NH1 ARG A 410 3.341 22.484 14.253 1.00 23.79 N ATOM 1707 NH2 ARG A 410 3.104 24.133 15.835 1.00 24.79 N ATOM 1708 HE ARG A 410 3.930 22.444 17.440 1.00 0.00 H ATOM 1709 HH12 ARG A 410 3.007 23.142 13.520 1.00 0.00 H ATOM 1710 HH11 ARG A 410 3.595 21.508 13.999 1.00 0.00 H ATOM 1711 HH22 ARG A 410 2.770 24.786 15.098 1.00 0.00 H ATOM 1712 HH21 ARG A 410 3.171 24.453 16.822 1.00 0.00 H ATOM 1713 H ARG A 410 4.086 15.795 15.999 1.00 0.00 H ATOM 1714 N PHE A 411 3.247 17.085 18.946 1.00 18.58 N ATOM 1715 CA PHE A 411 2.755 17.302 20.294 1.00 18.40 C ATOM 1716 C PHE A 411 3.800 17.020 21.367 1.00 18.50 C ATOM 1717 O PHE A 411 3.915 17.780 22.325 1.00 19.04 O ATOM 1718 CB PHE A 411 1.449 16.549 20.546 1.00 18.27 C ATOM 1719 CG PHE A 411 0.243 17.365 20.201 1.00 18.76 C ATOM 1720 CD1 PHE A 411 -0.033 17.665 18.877 1.00 19.06 C ATOM 1721 CD2 PHE A 411 -0.577 17.882 21.194 1.00 19.38 C ATOM 1722 CE1 PHE A 411 -1.123 18.453 18.543 1.00 19.58 C ATOM 1723 CE2 PHE A 411 -1.660 18.667 20.866 1.00 19.78 C ATOM 1724 CZ PHE A 411 -1.934 18.946 19.543 1.00 19.50 C ATOM 1725 H PHE A 411 2.895 16.281 18.388 1.00 0.00 H ATOM 1726 N ILE A 412 4.592 15.964 21.195 1.00 18.39 N ATOM 1727 CA ILE A 412 5.671 15.713 22.158 1.00 18.46 C ATOM 1728 C ILE A 412 6.766 16.781 22.047 1.00 19.23 C ATOM 1729 O ILE A 412 7.319 17.225 23.057 1.00 19.65 O ATOM 1730 CB ILE A 412 6.256 14.281 22.046 1.00 18.16 C ATOM 1731 CG1 ILE A 412 7.167 13.989 23.245 1.00 18.51 C ATOM 1732 CG2 ILE A 412 6.982 14.066 20.717 1.00 18.53 C ATOM 1733 CD1 ILE A 412 7.631 12.549 23.330 1.00 18.61 C ATOM 1734 H ILE A 412 4.448 15.324 20.388 1.00 0.00 H ATOM 1735 N THR A 413 7.037 17.237 20.828 1.00 19.35 N ATOM 1736 CA THR A 413 8.060 18.254 20.604 1.00 20.54 C ATOM 1737 C THR A 413 7.647 19.580 21.269 1.00 20.12 C ATOM 1738 O THR A 413 8.427 20.188 22.000 1.00 20.64 O ATOM 1739 CB THR A 413 8.341 18.450 19.096 1.00 21.14 C ATOM 1740 OG1 THR A 413 8.934 17.269 18.533 1.00 22.45 O ATOM 1741 CG2 THR A 413 9.269 19.622 18.864 1.00 22.17 C ATOM 1742 HG1 THR A 413 9.788 17.077 18.996 1.00 0.00 H ATOM 1743 H THR A 413 6.508 16.861 20.015 1.00 0.00 H ATOM 1744 N ASP A 414 6.414 20.012 21.031 1.00 20.90 N ATOM 1745 CA ASP A 414 5.898 21.225 21.676 1.00 21.43 C ATOM 1746 C ASP A 414 5.974 21.090 23.192 1.00 20.96 C ATOM 1747 O ASP A 414 6.400 22.005 23.879 1.00 21.13 O ATOM 1748 CB ASP A 414 4.460 21.514 21.240 1.00 22.91 C ATOM 1749 CG ASP A 414 4.372 22.037 19.821 1.00 23.80 C ATOM 1750 OD1 ASP A 414 5.415 22.395 19.230 1.00 25.04 O ATOM 1751 OD2 ASP A 414 3.249 22.084 19.285 1.00 26.25 O ATOM 1752 H ASP A 414 5.804 19.482 20.377 1.00 0.00 H ATOM 1753 N PHE A 415 5.549 19.935 23.702 1.00 19.98 N ATOM 1754 CA PHE A 415 5.521 19.656 25.136 1.00 20.38 C ATOM 1755 C PHE A 415 6.899 19.859 25.777 1.00 20.10 C ATOM 1756 O PHE A 415 7.029 20.529 26.803 1.00 19.41 O ATOM 1757 CB PHE A 415 5.024 18.217 25.320 1.00 20.43 C ATOM 1758 CG PHE A 415 4.691 17.836 26.734 1.00 22.26 C ATOM 1759 CD1 PHE A 415 3.623 18.411 27.405 1.00 22.28 C ATOM 1760 CD2 PHE A 415 5.408 16.832 27.365 1.00 22.49 C ATOM 1761 CE1 PHE A 415 3.307 18.022 28.698 1.00 23.09 C ATOM 1762 CE2 PHE A 415 5.103 16.439 28.654 1.00 22.71 C ATOM 1763 CZ PHE A 415 4.052 17.033 29.323 1.00 22.45 C ATOM 1764 H PHE A 415 5.221 19.196 23.048 1.00 0.00 H ATOM 1765 N LEU A 416 7.927 19.305 25.149 1.00 20.44 N ATOM 1766 CA LEU A 416 9.302 19.424 25.639 1.00 21.45 C ATOM 1767 C LEU A 416 9.879 20.819 25.403 1.00 22.55 C ATOM 1768 O LEU A 416 10.563 21.369 26.271 1.00 23.57 O ATOM 1769 CB LEU A 416 10.189 18.373 24.972 1.00 21.84 C ATOM 1770 CG LEU A 416 9.781 16.922 25.221 1.00 22.23 C ATOM 1771 CD1 LEU A 416 10.589 15.996 24.337 1.00 22.15 C ATOM 1772 CD2 LEU A 416 9.919 16.530 26.681 1.00 22.06 C ATOM 1773 H LEU A 416 7.751 18.767 24.277 1.00 0.00 H ATOM 1774 N ASP A 417 9.583 21.390 24.239 1.00 23.63 N ATOM 1775 CA ASP A 417 10.026 22.747 23.907 1.00 25.49 C ATOM 1776 C ASP A 417 9.467 23.779 24.889 1.00 25.23 C ATOM 1777 O ASP A 417 10.136 24.774 25.206 1.00 26.75 O ATOM 1778 CB ASP A 417 9.605 23.117 22.477 1.00 27.17 C ATOM 1779 CG ASP A 417 10.472 22.457 21.407 1.00 29.44 C ATOM 1780 OD1 ASP A 417 11.488 21.806 21.739 1.00 33.07 O ATOM 1781 OD2 ASP A 417 10.130 22.593 20.212 1.00 33.30 O ATOM 1782 H ASP A 417 9.021 20.858 23.544 1.00 0.00 H ATOM 1783 N ASN A 418 8.253 23.530 25.374 1.00 25.28 N ATOM 1784 CA ASN A 418 7.573 24.416 26.318 1.00 26.40 C ATOM 1785 C ASN A 418 8.000 24.221 27.776 1.00 25.25 C ATOM 1786 O ASN A 418 7.519 24.931 28.660 1.00 27.66 O ATOM 1787 CB ASN A 418 6.051 24.251 26.193 1.00 27.73 C ATOM 1788 CG ASN A 418 5.513 24.764 24.870 1.00 30.23 C ATOM 1789 OD1 ASN A 418 6.110 25.641 24.241 1.00 32.84 O ATOM 1790 ND2 ASN A 418 4.381 24.217 24.437 1.00 31.41 N ATOM 1791 HD22 ASN A 418 3.911 23.480 25.000 1.00 0.00 H ATOM 1792 HD21 ASN A 418 3.966 24.526 23.535 1.00 0.00 H ATOM 1793 H ASN A 418 7.765 22.664 25.067 1.00 0.00 H ATOM 1794 N GLY A 419 8.872 23.246 28.024 1.00 24.93 N ATOM 1795 CA GLY A 419 9.497 23.070 29.334 1.00 23.27 C ATOM 1796 C GLY A 419 8.865 22.022 30.231 1.00 23.39 C ATOM 1797 O GLY A 419 9.272 21.878 31.387 1.00 23.34 O ATOM 1798 H GLY A 419 9.117 22.586 27.259 1.00 0.00 H ATOM 1799 N TYR A 420 7.892 21.275 29.708 1.00 21.60 N ATOM 1800 CA TYR A 420 7.166 20.289 30.508 1.00 22.40 C ATOM 1801 C TYR A 420 7.930 18.986 30.727 1.00 21.60 C ATOM 1802 O TYR A 420 7.444 18.108 31.443 1.00 22.90 O ATOM 1803 CB TYR A 420 5.792 19.996 29.891 1.00 22.81 C ATOM 1804 CG TYR A 420 4.876 21.188 29.948 1.00 24.11 C ATOM 1805 CD1 TYR A 420 4.591 21.919 28.807 1.00 25.24 C ATOM 1806 CD2 TYR A 420 4.328 21.615 31.154 1.00 26.66 C ATOM 1807 CE1 TYR A 420 3.756 23.023 28.852 1.00 27.03 C ATOM 1808 CE2 TYR A 420 3.501 22.723 31.211 1.00 27.78 C ATOM 1809 CZ TYR A 420 3.220 23.424 30.058 1.00 27.92 C ATOM 1810 OH TYR A 420 2.398 24.530 30.103 1.00 32.03 O ATOM 1811 HH TYR A 420 2.305 24.908 29.193 1.00 0.00 H ATOM 1812 H TYR A 420 7.643 21.397 28.706 1.00 0.00 H ATOM 1813 N GLY A 421 9.114 18.861 30.132 1.00 20.89 N ATOM 1814 CA GLY A 421 9.973 17.707 30.366 1.00 20.34 C ATOM 1815 C GLY A 421 11.193 18.035 31.207 1.00 19.84 C ATOM 1816 O GLY A 421 12.222 17.388 31.074 1.00 19.70 O ATOM 1817 H GLY A 421 9.435 19.607 29.482 1.00 0.00 H ATOM 1818 N HIS A 422 11.070 19.021 32.094 1.00 20.76 N ATOM 1819 CA HIS A 422 12.205 19.486 32.899 1.00 21.49 C ATOM 1820 C HIS A 422 12.747 18.427 33.853 1.00 21.09 C ATOM 1821 O HIS A 422 13.867 18.554 34.334 1.00 23.54 O ATOM 1822 CB HIS A 422 11.824 20.733 33.703 1.00 22.09 C ATOM 1823 CG HIS A 422 10.647 20.523 34.593 1.00 22.65 C ATOM 1824 ND1 HIS A 422 10.751 19.969 35.850 1.00 23.72 N ATOM 1825 CD2 HIS A 422 9.330 20.745 34.388 1.00 23.63 C ATOM 1826 CE1 HIS A 422 9.549 19.877 36.387 1.00 23.55 C ATOM 1827 NE2 HIS A 422 8.668 20.338 35.520 1.00 24.41 N ATOM 1828 H HIS A 422 10.142 19.474 32.220 1.00 0.00 H ATOM 1829 N CYS A 423 11.958 17.386 34.123 1.00 20.02 N ATOM 1830 CA CYS A 423 12.377 16.313 35.008 1.00 19.47 C ATOM 1831 C CYS A 423 13.032 15.159 34.260 1.00 18.90 C ATOM 1832 O CYS A 423 13.364 14.150 34.868 1.00 18.30 O ATOM 1833 CB CYS A 423 11.188 15.790 35.808 1.00 19.89 C ATOM 1834 SG CYS A 423 10.046 14.749 34.876 1.00 20.44 S ATOM 1835 H CYS A 423 11.015 17.341 33.687 1.00 0.00 H ATOM 1836 N LEU A 424 13.221 15.303 32.953 1.00 17.82 N ATOM 1837 CA LEU A 424 13.747 14.226 32.145 1.00 18.03 C ATOM 1838 C LEU A 424 15.212 14.438 31.805 1.00 18.81 C ATOM 1839 O LEU A 424 15.771 13.727 30.954 1.00 20.09 O ATOM 1840 CB LEU A 424 12.941 14.106 30.860 1.00 18.39 C ATOM 1841 CG LEU A 424 11.439 13.929 31.050 1.00 18.25 C ATOM 1842 CD1 LEU A 424 10.782 13.895 29.677 1.00 18.07 C ATOM 1843 CD2 LEU A 424 11.114 12.669 31.846 1.00 18.55 C ATOM 1844 H LEU A 424 12.986 16.210 32.502 1.00 0.00 H ATOM 1845 N LEU A 425 15.855 15.400 32.468 1.00 20.33 N ATOM 1846 CA LEU A 425 17.207 15.779 32.076 1.00 22.57 C ATOM 1847 C LEU A 425 18.305 15.054 32.838 1.00 23.05 C ATOM 1848 O LEU A 425 19.440 15.036 32.377 1.00 24.71 O ATOM 1849 CB LEU A 425 17.401 17.292 32.212 1.00 23.55 C ATOM 1850 CG LEU A 425 16.389 18.186 31.495 1.00 25.52 C ATOM 1851 CD1 LEU A 425 16.757 19.647 31.699 1.00 25.56 C ATOM 1852 CD2 LEU A 425 16.320 17.867 30.015 1.00 26.19 C ATOM 1853 H LEU A 425 15.391 15.880 33.266 1.00 0.00 H ATOM 1854 N ASP A 426 17.976 14.481 33.996 1.00 23.68 N ATOM 1855 CA ASP A 426 18.963 13.757 34.803 1.00 24.45 C ATOM 1856 C ASP A 426 19.060 12.290 34.375 1.00 25.28 C ATOM 1857 O ASP A 426 18.059 11.654 34.075 1.00 24.44 O ATOM 1858 CB ASP A 426 18.675 13.910 36.310 1.00 23.93 C ATOM 1859 CG ASP A 426 17.341 13.312 36.750 1.00 24.86 C ATOM 1860 OD1 ASP A 426 16.301 13.518 36.091 1.00 23.47 O ATOM 1861 OD2 ASP A 426 17.331 12.651 37.809 1.00 26.86 O ATOM 1862 H ASP A 426 16.995 14.549 34.335 1.00 0.00 H ATOM 1863 N LYS A 427 20.283 11.769 34.318 1.00 26.88 N ATOM 1864 CA LYS A 427 20.522 10.395 33.886 1.00 28.69 C ATOM 1865 C LYS A 427 20.345 9.455 35.081 1.00 29.10 C ATOM 1866 O LYS A 427 20.832 9.750 36.173 1.00 29.48 O ATOM 1867 CB LYS A 427 21.937 10.277 33.309 1.00 31.56 C ATOM 1868 CG LYS A 427 22.084 9.307 32.150 1.00 33.81 C ATOM 1869 CD LYS A 427 23.230 9.748 31.247 1.00 35.91 C ATOM 1870 CE LYS A 427 23.733 8.638 30.348 1.00 37.43 C ATOM 1871 NZ LYS A 427 24.560 7.649 31.098 1.00 37.69 N ATOM 1872 HZ1 LYS A 427 25.382 8.131 31.514 1.00 0.00 H ATOM 1873 HZ2 LYS A 427 23.987 7.223 31.854 1.00 0.00 H ATOM 1874 HZ3 LYS A 427 24.885 6.906 30.447 1.00 0.00 H ATOM 1875 H LYS A 427 21.095 12.359 34.590 1.00 0.00 H ATOM 1876 N PRO A 428 19.625 8.332 34.900 1.00 27.81 N ATOM 1877 CA PRO A 428 19.465 7.399 36.023 1.00 28.78 C ATOM 1878 C PRO A 428 20.754 6.669 36.362 1.00 30.60 C ATOM 1879 O PRO A 428 21.560 6.394 35.478 1.00 32.00 O ATOM 1880 CB PRO A 428 18.410 6.407 35.519 1.00 29.23 C ATOM 1881 CG PRO A 428 18.469 6.509 34.043 1.00 28.98 C ATOM 1882 CD PRO A 428 18.797 7.942 33.748 1.00 28.54 C ATOM 1883 N GLU A 429 20.913 6.346 37.640 1.00 32.30 N ATOM 1884 CA GLU A 429 22.136 5.733 38.162 1.00 32.45 C ATOM 1885 C GLU A 429 22.192 4.221 37.941 1.00 31.94 C ATOM 1886 O GLU A 429 23.259 3.662 37.684 1.00 32.56 O ATOM 1887 CB GLU A 429 22.252 6.023 39.659 1.00 33.96 C ATOM 1888 H GLU A 429 20.133 6.537 38.301 1.00 0.00 H ATOM 1889 N ALA A 430 21.039 3.564 38.042 1.00 30.16 N ATOM 1890 CA ALA A 430 20.984 2.105 38.080 1.00 28.77 C ATOM 1891 C ALA A 430 19.796 1.555 37.295 1.00 27.90 C ATOM 1892 O ALA A 430 18.868 1.000 37.881 1.00 28.62 O ATOM 1893 CB ALA A 430 20.916 1.638 39.524 1.00 28.96 C ATOM 1894 H ALA A 430 20.152 4.105 38.095 1.00 0.00 H ATOM 1895 N PRO A 431 19.828 1.692 35.962 1.00 27.03 N ATOM 1896 CA PRO A 431 18.769 1.106 35.143 1.00 27.06 C ATOM 1897 C PRO A 431 18.629 -0.393 35.350 1.00 28.12 C ATOM 1898 O PRO A 431 19.628 -1.078 35.605 1.00 27.36 O ATOM 1899 CB PRO A 431 19.249 1.360 33.714 1.00 27.44 C ATOM 1900 CG PRO A 431 20.164 2.522 33.816 1.00 28.23 C ATOM 1901 CD PRO A 431 20.841 2.380 35.142 1.00 27.33 C ATOM 1902 N LEU A 432 17.404 -0.890 35.232 1.00 28.52 N ATOM 1903 CA LEU A 432 17.156 -2.327 35.190 1.00 31.26 C ATOM 1904 C LEU A 432 17.364 -2.779 33.753 1.00 34.98 C ATOM 1905 O LEU A 432 16.674 -2.306 32.851 1.00 36.32 O ATOM 1906 CB LEU A 432 15.741 -2.676 35.667 1.00 31.26 C ATOM 1907 CG LEU A 432 15.557 -2.925 37.167 1.00 32.18 C ATOM 1908 CD1 LEU A 432 15.606 -1.624 37.946 1.00 32.59 C ATOM 1909 CD2 LEU A 432 14.255 -3.660 37.445 1.00 32.59 C ATOM 1910 H LEU A 432 16.598 -0.236 35.168 1.00 0.00 H ATOM 1911 N HIS A 433 18.336 -3.671 33.552 1.00 38.87 N ATOM 1912 CA HIS A 433 18.696 -4.182 32.226 1.00 41.20 C ATOM 1913 C HIS A 433 18.243 -5.630 32.050 1.00 41.84 C ATOM 1914 O HIS A 433 18.351 -6.421 32.986 1.00 42.86 O ATOM 1915 CB HIS A 433 20.217 -4.165 32.045 1.00 41.90 C ATOM 1916 CG HIS A 433 20.813 -2.795 31.978 1.00 42.71 C ATOM 1917 ND1 HIS A 433 20.732 -2.007 30.850 1.00 42.85 N ATOM 1918 CD2 HIS A 433 21.527 -2.085 32.883 1.00 42.82 C ATOM 1919 CE1 HIS A 433 21.355 -0.864 31.069 1.00 41.95 C ATOM 1920 NE2 HIS A 433 21.847 -0.886 32.296 1.00 42.51 N ATOM 1921 H HIS A 433 18.864 -4.021 34.377 1.00 0.00 H ATOM 1922 N LEU A 434 17.749 -5.972 30.859 1.00 44.44 N ATOM 1923 CA LEU A 434 17.676 -7.378 30.450 1.00 46.26 C ATOM 1924 C LEU A 434 19.117 -7.888 30.342 1.00 47.44 C ATOM 1925 O LEU A 434 19.881 -7.380 29.518 1.00 48.06 O ATOM 1926 CB LEU A 434 16.950 -7.562 29.108 1.00 46.02 C ATOM 1927 CG LEU A 434 15.424 -7.740 29.116 1.00 45.03 C ATOM 1928 CD1 LEU A 434 14.903 -7.783 27.688 1.00 45.23 C ATOM 1929 CD2 LEU A 434 14.991 -8.994 29.863 1.00 44.53 C ATOM 1930 H LEU A 434 17.411 -5.231 30.212 1.00 0.00 H ATOM 1931 N PRO A 435 19.498 -8.875 31.182 1.00 50.09 N ATOM 1932 CA PRO A 435 20.885 -9.368 31.204 1.00 51.79 C ATOM 1933 C PRO A 435 21.327 -10.014 29.891 1.00 53.39 C ATOM 1934 O PRO A 435 22.523 -10.119 29.615 1.00 56.11 O ATOM 1935 CB PRO A 435 20.875 -10.418 32.326 1.00 51.63 C ATOM 1936 CG PRO A 435 19.664 -10.119 33.139 1.00 51.08 C ATOM 1937 CD PRO A 435 18.662 -9.584 32.168 1.00 50.75 C TER 1938 PRO A 435 HETATM 1939 ZN ZN A 1 -5.759 6.822 23.795 1.00 18.66 ZN HETATM 1940 CA CA A 2 14.109 12.397 36.253 1.00 17.28 CA HETATM 1941 CA CA A 3 16.342 11.119 39.107 1.00 19.57 CA HETATM 1942 CA CA A 4 -10.546 -4.315 28.369 1.00 21.23 CA HETATM 1943 O HOH 5 15.034 16.377 37.400 1.00 44.42 O HETATM 1944 O HOH 6 26.509 6.161 30.838 1.00 37.24 O HETATM 1945 O HOH 7 12.635 19.580 37.514 1.00 35.48 O HETATM 1946 O HOH 8 -1.847 19.464 27.818 1.00 27.08 O HETATM 1947 O HOH 9 15.854 3.432 24.957 1.00 30.82 O HETATM 1948 O HOH 10 3.076 -4.975 14.898 1.00 34.96 O HETATM 1949 O HOH 11 -6.865 11.853 33.238 1.00 44.57 O HETATM 1950 O HOH 12 1.780 18.172 41.511 1.00 26.67 O HETATM 1951 O HOH 13 5.943 0.072 6.636 1.00 44.99 O HETATM 1952 O HOH 14 -4.806 13.431 37.499 1.00 51.53 O HETATM 1953 O HOH 15 -5.650 13.511 31.429 1.00 42.02 O HETATM 1954 O HOH 16 5.521 3.716 5.697 1.00 38.26 O HETATM 1955 O HOH 17 4.621 -3.560 12.777 1.00 37.98 O HETATM 1956 O HOH 18 -4.093 16.591 31.947 1.00 22.93 O HETATM 1957 O HOH 19 -23.058 1.470 29.917 1.00 40.44 O HETATM 1958 O HOH 20 15.853 16.551 34.931 1.00 30.36 O HETATM 1959 O HOH 21 -0.053 18.237 35.662 1.00 35.36 O HETATM 1960 O HOH 22 15.465 -0.594 41.564 1.00 35.75 O HETATM 1961 O HOH 23 -0.663 -13.681 28.453 1.00 35.88 O HETATM 1962 O HOH 24 -1.083 12.683 4.673 1.00 39.62 O HETATM 1963 O HOH 25 17.010 -4.149 28.954 1.00 48.45 O HETATM 1964 O HOH 26 20.399 15.181 29.707 1.00 31.36 O HETATM 1965 O HOH 27 2.589 24.703 18.802 1.00 36.67 O HETATM 1966 O HOH 28 9.959 24.232 32.686 1.00 35.42 O HETATM 1967 O HOH 29 4.003 -12.728 23.646 1.00 35.64 O HETATM 1968 O HOH 30 22.365 -0.652 35.946 1.00 40.50 O HETATM 1969 O HOH 31 12.566 1.142 9.526 1.00 41.15 O HETATM 1970 O HOH 32 -15.762 3.296 34.145 1.00 33.21 O HETATM 1971 O HOH 33 9.798 -12.580 28.550 1.00 49.00 O HETATM 1972 O HOH 34 9.284 -14.292 30.852 1.00 33.97 O HETATM 1973 O HOH 35 9.787 4.098 48.287 1.00 32.32 O HETATM 1974 O HOH 36 15.598 7.592 49.288 1.00 40.53 O HETATM 1975 O HOH 37 23.943 0.324 33.814 1.00 33.52 O HETATM 1976 O HOH 38 24.690 1.927 39.446 1.00 43.73 O HETATM 1977 O HOH 39 15.982 2.437 27.506 1.00 30.82 O HETATM 1978 O HOH 40 13.073 17.417 41.926 1.00 27.81 O HETATM 1979 O HOH 41 -13.352 3.878 32.676 1.00 26.89 O HETATM 1980 O HOH 42 1.099 20.816 20.714 1.00 25.26 O HETATM 1981 O HOH 43 7.293 1.788 4.815 1.00 29.97 O HETATM 1982 O HOH 44 3.026 17.971 10.195 1.00 37.34 O HETATM 1983 O HOH 45 -5.657 10.027 41.860 1.00 33.61 O HETATM 1984 O HOH 46 2.450 18.655 33.377 1.00 39.09 O HETATM 1985 O HOH 47 15.140 2.570 43.842 1.00 36.27 O HETATM 1986 O HOH 48 4.887 -15.633 30.912 1.00 36.45 O HETATM 1987 O HOH 49 11.636 5.290 9.033 1.00 39.17 O HETATM 1988 O HOH 50 15.356 -0.082 31.391 1.00 25.90 O HETATM 1989 O HOH 51 6.917 -19.859 37.874 1.00 39.17 O HETATM 1990 O HOH 52 -14.117 -0.673 38.990 1.00 38.61 O HETATM 1991 O HOH 53 12.585 -5.312 41.850 1.00 53.81 O HETATM 1992 O HOH 54 11.721 -0.112 11.988 1.00 41.72 O HETATM 1993 O HOH 55 13.739 18.916 49.548 1.00 36.64 O HETATM 1994 O HOH 56 4.696 20.047 12.898 1.00 35.74 O HETATM 1995 O HOH 57 8.995 -6.311 43.776 1.00 32.74 O HETATM 1996 O HOH 58 24.778 5.795 28.504 1.00 30.89 O HETATM 1997 O HOH 59 12.097 5.324 49.450 1.00 39.93 O HETATM 1998 O HOH 60 12.647 17.230 38.735 1.00 32.90 O HETATM 1999 O HOH 61 3.487 16.541 43.031 1.00 39.18 O HETATM 2000 O HOH 62 12.180 23.913 31.514 1.00 33.27 O HETATM 2001 O HOH 63 -2.738 11.844 45.368 1.00 38.58 O HETATM 2002 O HOH 64 15.731 1.156 23.048 1.00 33.39 O HETATM 2003 O HOH 65 -6.654 12.023 23.898 1.00 46.36 O HETATM 2004 O HOH 66 8.310 23.852 37.170 1.00 49.47 O HETATM 2005 O HOH 67 5.636 -9.354 24.800 1.00 48.47 O HETATM 2006 O HOH 68 -8.099 15.501 5.268 1.00 43.96 O HETATM 2007 O HOH 69 0.694 22.370 26.827 1.00 45.54 O HETATM 2008 O HOH 70 -8.754 13.275 34.881 1.00 40.06 O HETATM 2009 O HOH 71 15.533 -0.538 26.813 1.00 35.35 O HETATM 2010 O HOH 72 16.791 -5.189 26.199 1.00 54.11 O HETATM 2011 O HOH 73 4.755 -1.343 47.031 1.00 35.83 O HETATM 2012 O HOH 74 0.886 8.318 16.365 1.00 18.52 O HETATM 2013 O HOH 75 13.259 4.870 24.932 1.00 19.19 O HETATM 2014 O HOH 76 15.308 11.531 34.327 1.00 18.98 O HETATM 2015 O HOH 77 11.140 20.135 28.640 1.00 23.88 O HETATM 2016 O HOH 78 -9.995 -5.791 26.658 1.00 25.01 O HETATM 2017 O HOH 79 9.780 13.595 38.275 1.00 18.42 O HETATM 2018 O HOH 80 13.709 5.495 40.345 1.00 26.89 O HETATM 2019 O HOH 81 -0.631 14.205 19.168 1.00 18.69 O HETATM 2020 O HOH 82 4.810 10.090 42.256 1.00 19.66 O HETATM 2021 O HOH 83 7.076 13.282 37.429 1.00 18.58 O HETATM 2022 O HOH 84 13.081 21.440 30.196 1.00 29.05 O HETATM 2023 O HOH 85 15.736 9.450 40.696 1.00 20.87 O HETATM 2024 O HOH 86 -2.863 6.420 13.565 1.00 25.64 O HETATM 2025 O HOH 87 -10.954 -9.490 34.432 1.00 31.83 O HETATM 2026 O HOH 88 5.042 17.646 32.915 1.00 23.60 O HETATM 2027 O HOH 89 2.989 -8.269 25.429 1.00 25.43 O HETATM 2028 O HOH 90 -0.972 11.812 17.744 1.00 21.06 O HETATM 2029 O HOH 91 6.661 11.043 39.105 1.00 17.12 O HETATM 2030 O HOH 92 2.050 19.590 23.114 1.00 24.09 O HETATM 2031 O HOH 93 4.668 9.055 38.831 1.00 17.09 O HETATM 2032 O HOH 94 18.619 10.567 39.487 1.00 28.20 O HETATM 2033 O HOH 95 11.617 -6.534 23.836 1.00 28.69 O HETATM 2034 O HOH 96 -2.626 -4.373 25.871 1.00 21.72 O HETATM 2035 O HOH 97 11.727 -13.414 35.266 1.00 30.05 O HETATM 2036 O HOH 98 18.369 4.388 38.783 1.00 30.79 O HETATM 2037 O HOH 99 14.843 -1.292 24.111 1.00 28.76 O HETATM 2038 O HOH 100 2.858 21.748 25.028 1.00 28.94 O HETATM 2039 O HOH 101 8.986 -1.800 19.601 1.00 35.20 O HETATM 2040 O HOH 102 17.033 6.727 39.345 1.00 31.58 O HETATM 2041 O HOH 103 -9.908 -4.863 23.109 1.00 40.89 O HETATM 2042 O HOH 104 9.590 -12.627 38.299 1.00 33.16 O HETATM 2043 O HOH 105 -7.412 12.888 21.298 1.00 29.37 O HETATM 2044 O HOH 106 6.898 11.955 12.211 1.00 37.03 O HETATM 2045 O HOH 107 13.870 -1.012 29.164 1.00 29.08 O HETATM 2046 O HOH 108 -1.358 10.150 47.332 1.00 38.65 O HETATM 2047 O HOH 109 -2.712 17.205 24.479 1.00 37.49 O HETATM 2048 O HOH 110 4.307 -6.324 23.286 1.00 32.72 O HETATM 2049 O HOH 111 3.254 13.947 44.154 1.00 38.04 O HETATM 2050 O HOH 112 16.739 11.750 24.091 1.00 37.33 O HETATM 2051 O HOH 113 4.849 11.720 44.455 1.00 30.37 O HETATM 2052 O HOH 114 15.543 4.090 41.550 1.00 35.30 O HETATM 2053 O HOH 115 -2.492 -6.414 43.348 1.00 31.94 O HETATM 2054 O HOH 116 -5.054 4.264 46.209 1.00 32.28 O HETATM 2055 O HOH 117 3.123 6.306 33.012 1.00 27.79 O HETATM 2056 O HOH 118 17.356 1.993 39.992 1.00 33.95 O HETATM 2057 O HOH 119 12.176 -15.635 33.034 1.00 46.54 O HETATM 2058 O HOH 120 -8.748 3.380 45.707 1.00 40.56 O HETATM 2059 O HOH 121 7.768 24.019 19.795 1.00 33.68 O HETATM 2060 O HOH 122 -5.824 6.823 13.524 1.00 41.13 O HETATM 2061 O HOH 123 -12.322 7.877 18.213 1.00 41.82 O HETATM 2062 O HOH 124 1.326 4.367 48.773 1.00 35.70 O HETATM 2063 O HOH 125 14.065 -7.490 24.740 1.00 49.11 O HETATM 2064 O HOH 126 12.454 -4.662 21.899 1.00 30.96 O HETATM 2065 O HOH 127 9.691 0.421 14.191 1.00 46.26 O HETATM 2066 O HOH 128 -10.259 9.600 19.559 1.00 43.83 O HETATM 2067 O HOH 129 -7.581 9.611 31.810 1.00 44.87 O HETATM 2068 O HOH 130 -10.420 4.967 42.428 1.00 33.76 O HETATM 2069 O HOH 131 -12.575 4.921 17.642 1.00 45.73 O HETATM 2070 O HOH 132 5.687 -13.292 40.727 1.00 47.32 O HETATM 2071 O HOH 133 13.176 2.450 17.163 1.00 36.84 O HETATM 2072 O HOH 134 9.029 18.030 46.380 1.00 41.80 O HETATM 2073 O HOH 135 7.138 -7.087 24.036 1.00 31.92 O HETATM 2074 O HOH 136 -7.865 -4.039 20.941 1.00 41.81 O HETATM 2075 O HOH 137 7.037 0.051 15.576 1.00 47.25 O HETATM 2076 O HOH 138 -5.819 -6.876 40.833 1.00 40.31 O HETATM 2077 O HOH 139 10.575 -16.921 30.915 1.00 56.23 O HETATM 2078 O HOH 140 11.814 0.827 29.298 1.00 29.63 O HETATM 2079 O HOH 141 10.882 -4.935 19.651 1.00 40.80 O HETATM 2080 O HOH 142 10.425 1.444 16.651 1.00 40.06 O HETATM 2081 O HOH 143 5.416 11.734 47.108 1.00 38.97 O HETATM 2082 O HOH 144 7.413 13.216 44.223 1.00 31.34 O HETATM 2083 O HOH 145 13.956 13.526 47.991 1.00 42.68 O HETATM 2084 O HOH 146 -12.740 -7.438 26.789 1.00 35.49 O HETATM 2085 O HOH 147 -17.017 2.077 26.646 1.00 35.27 O HETATM 2086 O HOH 148 -9.949 9.333 33.607 1.00 53.16 O HETATM 2087 O HOH 149 5.040 -6.487 16.443 1.00 34.97 O HETATM 2088 O HOH 150 -7.974 -3.852 18.116 1.00 42.20 O HETATM 2089 O HOH 151 14.173 -3.837 29.599 1.00 32.11 O HETATM 2090 O HOH 152 15.008 16.821 23.902 1.00 44.18 O HETATM 2091 O HOH 153 17.939 9.772 25.414 1.00 37.90 O HETATM 2092 O HOH 154 -0.612 -13.348 43.157 1.00 42.69 O HETATM 2093 O HOH 155 7.348 14.812 11.915 1.00 51.16 O HETATM 2094 O HOH 156 6.404 15.625 9.235 1.00 43.29 O HETATM 2095 O HOH 157 5.162 17.144 12.978 1.00 38.14 O HETATM 2096 O HOH 158 -7.872 -4.369 43.960 1.00 40.75 O HETATM 2097 O HOH 159 -10.565 1.039 41.762 1.00 47.62 O HETATM 2098 O HOH 160 -11.541 0.197 39.246 1.00 44.64 O HETATM 2099 O HOH 161 -13.864 0.362 26.468 1.00 46.86 O HETATM 2100 O HOH 162 -10.589 -2.176 19.341 1.00 43.47 O HETATM 2101 O HOH 163 -4.452 10.960 10.991 1.00 36.07 O HETATM 2102 O HOH 164 -3.327 8.366 11.260 1.00 44.09 O HETATM 2103 O HOH 165 -2.607 1.335 15.273 1.00 40.95 O HETATM 2104 O HOH 166 -11.100 3.879 21.383 1.00 39.38 O HETATM 2105 O HOH 167 -11.627 1.178 22.373 1.00 37.78 O HETATM 2106 O HOH 168 6.042 -5.794 20.806 1.00 37.05 O HETATM 2107 C7 UNN A 169 -8.990 2.995 24.459 1.00 0.04 C HETATM 2108 C16 UNN A 169 -8.806 4.188 25.378 1.00 0.17 C HETATM 2109 C12 UNN A 169 -9.976 4.490 26.243 1.00 0.12 C HETATM 2110 N17 UNN A 169 -11.228 4.467 25.838 1.00 -0.25 N HETATM 2111 C3 UNN A 169 -12.062 4.796 26.877 1.00 0.06 C HETATM 2112 C4 UNN A 169 -11.446 5.072 28.077 1.00 0.07 C HETATM 2113 S25 UNN A 169 -9.744 4.915 27.894 1.00 0.03 S HETATM 2114 H UNN A 169 -11.957 5.347 28.998 1.00 0.13 H HETATM 2115 H UNN A 169 -13.144 4.836 26.760 1.00 0.09 H HETATM 2116 C13 UNN A 169 -8.515 5.380 24.513 1.00 0.21 C HETATM 2117 N18 UNN A 169 -7.222 5.743 24.735 1.00 -0.19 N HETATM 2118 C14 UNN A 169 -6.657 5.007 25.739 1.00 0.28 C HETATM 2119 N19 UNN A 169 -7.594 4.107 26.151 1.00 -0.29 N HETATM 2120 H UNN A 169 -7.455 3.464 26.904 1.00 0.17 H HETATM 2121 O22 UNN A 169 -5.524 5.150 26.165 1.00 -0.39 O HETATM 2122 H UNN A 169 -6.744 6.460 24.227 1.00 0.22 H HETATM 2123 O21 UNN A 169 -9.310 5.912 23.754 1.00 -0.36 O HETATM 2124 N20 UNN A 169 -7.811 2.767 23.647 1.00 -0.29 N HETATM 2125 C15 UNN A 169 -6.898 1.807 24.024 1.00 0.24 C HETATM 2126 C11 UNN A 169 -5.810 1.626 23.107 1.00 0.19 C HETATM 2127 C6 UNN A 169 -4.685 0.826 23.128 1.00 -0.02 C HETATM 2128 C10 UNN A 169 -3.953 1.076 21.930 1.00 -0.00 C HETATM 2129 C5 UNN A 169 -2.772 0.631 21.335 1.00 -0.05 C HETATM 2130 C8 UNN A 169 -2.461 1.190 20.107 1.00 0.03 C HETATM 2131 C1 UNN A 169 -3.258 2.128 19.502 1.00 -0.06 C HETATM 2132 C2 UNN A 169 -4.421 2.586 20.055 1.00 -0.03 C HETATM 2133 C9 UNN A 169 -4.710 2.024 21.268 1.00 0.13 C HETATM 2134 O24 UNN A 169 -5.822 2.356 21.962 1.00 -0.24 O HETATM 2135 H UNN A 169 -5.054 3.325 19.577 1.00 0.06 H HETATM 2136 H UNN A 169 -2.951 2.524 18.541 1.00 0.06 H HETATM 2137 CL2 UNN A 169 -1.051 0.780 19.193 1.00 -0.08 CL HETATM 2138 H UNN A 169 -2.135 -0.109 21.806 1.00 0.06 H HETATM 2139 H UNN A 169 -4.407 0.129 23.917 1.00 0.05 H HETATM 2140 O23 UNN A 169 -6.994 1.172 25.060 1.00 -0.38 O HETATM 2141 H UNN A 169 -7.661 3.304 22.817 1.00 0.18 H HETATM 2142 H UNN A 169 -9.849 3.181 23.798 1.00 0.04 H HETATM 2143 H UNN A 169 -9.184 2.100 25.069 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 64 63 1940 1941 CONECT 65 63 1941 CONECT 536 537 545 546 547 CONECT 545 536 CONECT 546 536 CONECT 547 536 CONECT 678 677 1146 CONECT 785 784 1941 CONECT 788 787 1941 CONECT 789 787 1940 CONECT 853 852 1940 CONECT 854 852 1940 CONECT 945 944 1942 CONECT 951 950 1942 CONECT 962 961 999 CONECT 997 996 1942 CONECT 999 962 998 CONECT 1013 1012 1942 CONECT 1092 1091 1834 CONECT 1146 678 1145 CONECT 1281 1279 1280 1939 CONECT 1316 1314 1315 1939 CONECT 1376 1374 1375 1939 CONECT 1431 1430 1681 CONECT 1492 1493 1499 1500 1501 CONECT 1499 1492 CONECT 1500 1492 CONECT 1501 1492 CONECT 1681 1431 1680 CONECT 1834 1092 1833 CONECT 1939 1281 1316 1376 CONECT 1940 64 789 853 854 CONECT 1941 64 65 785 788 CONECT 1942 945 951 997 1013 CONECT 2107 2108 2124 2142 2143 CONECT 2108 2107 2109 2116 2119 CONECT 2109 2108 2110 2113 CONECT 2110 2109 2111 CONECT 2111 2110 2112 2115 CONECT 2112 2111 2113 2114 CONECT 2113 2109 2112 CONECT 2114 2112 CONECT 2115 2111 CONECT 2116 2108 2117 2123 CONECT 2117 2116 2118 2122 CONECT 2118 2117 2119 2121 CONECT 2119 2108 2118 2120 CONECT 2120 2119 CONECT 2121 2118 CONECT 2122 2117 CONECT 2123 2116 CONECT 2124 2107 2125 2141 CONECT 2125 2124 2126 2140 CONECT 2126 2125 2127 2134 CONECT 2127 2126 2128 2139 CONECT 2128 2127 2129 2133 CONECT 2129 2128 2130 2138 CONECT 2130 2129 2131 2137 CONECT 2131 2130 2132 2136 CONECT 2132 2131 2133 2135 CONECT 2133 2128 2132 2134 CONECT 2134 2126 2133 CONECT 2135 2132 CONECT 2136 2131 CONECT 2137 2130 CONECT 2138 2129 CONECT 2139 2127 CONECT 2140 2125 CONECT 2141 2124 CONECT 2142 2107 CONECT 2143 2107 MASTER 0 0 0 0 0 0 0 0 2140 3 75 18 END
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Structure:
Ligand 2D
Ligand 3D
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Related entries of code: 4wke
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2rjp
RCSB PDB
PDBbind
316aa, >2RJP_1|Chains... *
4wk7
RCSB PDB
PDBbind
235aa, >4WK7_1|Chain... at 96%
4wki
RCSB PDB
PDBbind
235aa, >4WKI_1|Chain... at 96%
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
4wke
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
A disintegrin and metalloproteinase with thrombospondin motifs 4 ADAMTS-4
Ligand Name
3PU
EC.Number
E.C.3.4.24.82
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Kd=8nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 10476-10485
Ligand Properties
Formula
C
1
6
H
1
1
ClN
4
O
4
S
Molecular Weight
390.801
Exact Mass
390.019
No. of atoms
37
No. of bonds
40
Polar Surface Area
141.57
LOGP Value
2.43 (
Computed with XLOGP3
)
3.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=C1NC(=O)[C@](N1)(CNC(=O)c1cc2c(o1)ccc(c2)Cl)c1nccs1
InChI String
InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O75173
Entrez Gene ID
NCBI Entrez Gene ID:
9507
ASD
Information of known allosteric effects of PDB entries
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