Browse entries in the PDBbind-CN Database
HEADER 5Q1I_COMPLEX COMPND 5Q1I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 MET GLU LEU THR PRO ASP GLN GLN THR LEU LEU HIS PHE SEQRES 2 A 100 ILE MET ASP SER TYR ASN LYS GLN ARG MET PRO GLN GLU SEQRES 3 A 100 ILE THR ASN LYS ILE LEU LYS GLU ALA PHE SER ALA GLU SEQRES 4 A 100 GLU ASN PHE LEU ILE LEU THR GLU MET ALA THR ASN HIS SEQRES 5 A 100 VAL GLN VAL LEU VAL GLU PHE THR LYS LYS LEU PRO GLY SEQRES 6 A 100 PHE GLN THR LEU ASP HIS GLU ASP GLN ILE ALA LEU LEU SEQRES 7 A 100 LYS GLY SER ALA VAL GLU ALA MET PHE LEU ARG SER ALA SEQRES 8 A 100 GLU ILE PHE ASN LYS LYS LEU PRO SER SEQRES 1 A 127 HIS SER ASP LEU LEU GLU ALA ARG ILE ARG ASN SER GLY SEQRES 2 A 127 ILE SER ASP GLU TYR ILE THR PRO MET PHE SER PHE TYR SEQRES 3 A 127 LYS SER ILE GLY GLU LEU LYS MET THR GLN GLU GLU TYR SEQRES 4 A 127 ALA LEU LEU THR ALA ILE VAL ILE LEU SER PRO ASP ARG SEQRES 5 A 127 GLN TYR ILE LYS ASP ARG GLU ALA VAL GLU LYS LEU GLN SEQRES 6 A 127 GLU PRO LEU LEU ASP VAL LEU GLN LYS LEU CYS LYS ILE SEQRES 7 A 127 HIS GLN PRO GLU ASN PRO GLN HIS PHE ALA CYS LEU LEU SEQRES 8 A 127 GLY ARG LEU THR GLU LEU ARG THR PHE ASN HIS HIS HIS SEQRES 9 A 127 ALA GLU MET LEU MET SER TRP ARG VAL ASN ASP HIS LYS SEQRES 10 A 127 PHE THR PRO LEU LEU CYS GLU ILE TRP ASP HET UNN A 348 53 ATOM 1 N MET A 247 15.244 4.104 -24.437 1.00 60.92 N ATOM 2 CA MET A 247 15.388 4.237 -22.988 1.00 59.45 C ATOM 3 C MET A 247 15.668 5.686 -22.575 1.00 57.12 C ATOM 4 O MET A 247 16.650 6.285 -23.029 1.00 56.41 O ATOM 5 CB MET A 247 16.475 3.283 -22.452 1.00 62.58 C ATOM 6 CG MET A 247 15.994 1.847 -22.281 1.00 68.35 C ATOM 7 SD MET A 247 16.041 1.264 -20.561 1.00 73.13 S ATOM 8 CE MET A 247 14.637 2.162 -19.858 1.00 69.24 C ATOM 9 HN3 MET A 247 16.122 4.413 -24.901 1.00 0.00 H ATOM 10 HN2 MET A 247 14.452 4.696 -24.761 1.00 0.00 H ATOM 11 HN1 MET A 247 15.056 3.109 -24.676 1.00 0.00 H ATOM 12 N GLU A 248 14.786 6.254 -21.734 1.00 49.26 N ATOM 13 CA GLU A 248 14.901 7.636 -21.247 1.00 46.27 C ATOM 14 C GLU A 248 14.478 7.737 -19.779 1.00 43.56 C ATOM 15 O GLU A 248 13.660 6.942 -19.314 1.00 41.83 O ATOM 16 CB GLU A 248 13.975 8.566 -22.062 1.00 48.61 C ATOM 17 CG GLU A 248 14.390 8.861 -23.495 1.00 64.17 C ATOM 18 CD GLU A 248 13.349 9.562 -24.358 1.00 93.76 C ATOM 19 OE1 GLU A 248 12.478 10.273 -23.804 1.00 86.05 O ATOM 20 OE2 GLU A 248 13.421 9.414 -25.600 1.00 92.01 O ATOM 21 H GLU A 248 13.978 5.684 -21.410 1.00 0.00 H ATOM 22 N LEU A 249 14.983 8.746 -19.063 1.00 37.46 N ATOM 23 CA LEU A 249 14.515 9.000 -17.697 1.00 36.02 C ATOM 24 C LEU A 249 13.161 9.694 -17.821 1.00 38.45 C ATOM 25 O LEU A 249 12.965 10.486 -18.749 1.00 38.64 O ATOM 26 CB LEU A 249 15.460 9.946 -16.937 1.00 35.23 C ATOM 27 CG LEU A 249 16.885 9.478 -16.672 1.00 38.89 C ATOM 28 CD1 LEU A 249 17.637 10.518 -15.896 1.00 37.95 C ATOM 29 CD2 LEU A 249 16.908 8.157 -15.925 1.00 41.03 C ATOM 30 H LEU A 249 15.715 9.357 -19.479 1.00 0.00 H ATOM 31 N THR A 250 12.246 9.421 -16.883 1.00 33.65 N ATOM 32 CA THR A 250 10.934 10.073 -16.839 1.00 33.71 C ATOM 33 C THR A 250 11.159 11.547 -16.411 1.00 37.09 C ATOM 34 O THR A 250 12.176 11.810 -15.769 1.00 35.98 O ATOM 35 CB THR A 250 9.999 9.373 -15.826 1.00 40.26 C ATOM 36 OG1 THR A 250 10.488 9.600 -14.502 1.00 38.83 O ATOM 37 CG2 THR A 250 9.816 7.877 -16.101 1.00 36.73 C ATOM 38 HG1 THR A 250 9.892 9.153 -13.850 1.00 0.00 H ATOM 39 H THR A 250 12.476 8.716 -16.154 1.00 0.00 H ATOM 40 N PRO A 251 10.234 12.501 -16.696 1.00 34.86 N ATOM 41 CA PRO A 251 10.441 13.899 -16.241 1.00 34.40 C ATOM 42 C PRO A 251 10.688 14.002 -14.740 1.00 37.33 C ATOM 43 O PRO A 251 11.472 14.850 -14.304 1.00 36.85 O ATOM 44 CB PRO A 251 9.132 14.600 -16.640 1.00 37.30 C ATOM 45 CG PRO A 251 8.635 13.808 -17.800 1.00 42.52 C ATOM 46 CD PRO A 251 8.973 12.376 -17.462 1.00 37.29 C ATOM 47 N ASP A 252 10.039 13.119 -13.957 1.00 34.25 N ATOM 48 CA ASP A 252 10.201 13.022 -12.513 1.00 34.98 C ATOM 49 C ASP A 252 11.652 12.619 -12.170 1.00 36.27 C ATOM 50 O ASP A 252 12.245 13.219 -11.283 1.00 34.89 O ATOM 51 CB ASP A 252 9.202 12.004 -11.935 1.00 38.92 C ATOM 52 CG ASP A 252 9.378 11.716 -10.454 1.00 60.96 C ATOM 53 OD1 ASP A 252 9.311 12.677 -9.645 1.00 63.60 O ATOM 54 OD2 ASP A 252 9.577 10.528 -10.099 1.00 70.38 O ATOM 55 H ASP A 252 9.377 12.461 -14.415 1.00 0.00 H ATOM 56 N GLN A 253 12.213 11.638 -12.899 1.00 32.07 N ATOM 57 CA GLN A 253 13.586 11.149 -12.723 1.00 30.58 C ATOM 58 C GLN A 253 14.620 12.183 -13.143 1.00 34.36 C ATOM 59 O GLN A 253 15.645 12.317 -12.473 1.00 33.97 O ATOM 60 CB GLN A 253 13.798 9.833 -13.471 1.00 31.77 C ATOM 61 CG GLN A 253 13.126 8.647 -12.789 1.00 33.59 C ATOM 62 CD GLN A 253 13.142 7.396 -13.628 1.00 45.38 C ATOM 63 OE1 GLN A 253 12.984 7.421 -14.855 1.00 41.43 O ATOM 64 NE2 GLN A 253 13.290 6.262 -12.974 1.00 38.74 N ATOM 65 HE22 GLN A 253 13.421 6.270 -11.942 1.00 0.00 H ATOM 66 HE21 GLN A 253 13.276 5.359 -13.489 1.00 0.00 H ATOM 67 H GLN A 253 11.633 11.194 -13.640 1.00 0.00 H ATOM 68 N GLN A 254 14.336 12.931 -14.231 1.00 31.31 N ATOM 69 CA GLN A 254 15.187 14.007 -14.755 1.00 30.85 C ATOM 70 C GLN A 254 15.291 15.135 -13.759 1.00 34.66 C ATOM 71 O GLN A 254 16.364 15.721 -13.608 1.00 34.69 O ATOM 72 CB GLN A 254 14.607 14.561 -16.053 1.00 32.94 C ATOM 73 CG GLN A 254 14.898 13.689 -17.262 1.00 42.52 C ATOM 74 CD GLN A 254 14.332 14.283 -18.524 1.00 54.15 C ATOM 75 OE1 GLN A 254 14.715 15.379 -18.953 1.00 41.03 O ATOM 76 NE2 GLN A 254 13.455 13.535 -19.176 1.00 54.13 N ATOM 77 HE22 GLN A 254 13.158 12.619 -18.782 1.00 0.00 H ATOM 78 HE21 GLN A 254 13.063 13.863 -20.082 1.00 0.00 H ATOM 79 H GLN A 254 13.449 12.730 -14.735 1.00 0.00 H ATOM 80 N THR A 255 14.174 15.431 -13.069 1.00 30.63 N ATOM 81 CA THR A 255 14.077 16.477 -12.049 1.00 30.32 C ATOM 82 C THR A 255 14.918 16.088 -10.846 1.00 33.00 C ATOM 83 O THR A 255 15.728 16.891 -10.396 1.00 30.96 O ATOM 84 CB THR A 255 12.611 16.751 -11.701 1.00 35.32 C ATOM 85 OG1 THR A 255 11.925 17.101 -12.905 1.00 36.99 O ATOM 86 CG2 THR A 255 12.456 17.876 -10.682 1.00 30.25 C ATOM 87 HG1 THR A 255 11.988 16.352 -13.549 1.00 0.00 H ATOM 88 H THR A 255 13.318 14.877 -13.275 1.00 0.00 H ATOM 89 N LEU A 256 14.713 14.860 -10.326 1.00 30.58 N ATOM 90 CA LEU A 256 15.480 14.305 -9.210 1.00 30.15 C ATOM 91 C LEU A 256 16.988 14.338 -9.555 1.00 32.25 C ATOM 92 O LEU A 256 17.789 14.827 -8.755 1.00 30.38 O ATOM 93 CB LEU A 256 14.998 12.872 -8.921 1.00 30.71 C ATOM 94 CG LEU A 256 15.817 12.037 -7.928 1.00 36.93 C ATOM 95 CD1 LEU A 256 15.745 12.619 -6.518 1.00 38.00 C ATOM 96 CD2 LEU A 256 15.315 10.612 -7.898 1.00 41.20 C ATOM 97 H LEU A 256 13.964 14.272 -10.744 1.00 0.00 H ATOM 98 N LEU A 257 17.362 13.862 -10.753 1.00 29.68 N ATOM 99 CA LEU A 257 18.765 13.883 -11.158 1.00 30.03 C ATOM 100 C LEU A 257 19.321 15.301 -11.245 1.00 33.60 C ATOM 101 O LEU A 257 20.399 15.561 -10.700 1.00 32.65 O ATOM 102 CB LEU A 257 18.995 13.092 -12.453 1.00 31.01 C ATOM 103 CG LEU A 257 20.447 13.013 -12.976 1.00 35.76 C ATOM 104 CD1 LEU A 257 21.384 12.381 -11.965 1.00 34.84 C ATOM 105 CD2 LEU A 257 20.502 12.300 -14.304 1.00 37.46 C ATOM 106 H LEU A 257 16.645 13.474 -11.399 1.00 0.00 H ATOM 107 N HIS A 258 18.567 16.233 -11.859 1.00 31.02 N ATOM 108 CA HIS A 258 19.020 17.619 -11.958 1.00 31.85 C ATOM 109 C HIS A 258 19.261 18.286 -10.586 1.00 32.63 C ATOM 110 O HIS A 258 20.217 19.042 -10.445 1.00 31.91 O ATOM 111 CB HIS A 258 18.098 18.477 -12.838 1.00 34.38 C ATOM 112 CG HIS A 258 18.589 19.877 -12.904 1.00 39.67 C ATOM 113 ND1 HIS A 258 18.237 20.804 -11.941 1.00 42.46 N ATOM 114 CD2 HIS A 258 19.510 20.426 -13.728 1.00 42.38 C ATOM 115 CE1 HIS A 258 18.937 21.887 -12.223 1.00 42.63 C ATOM 116 NE2 HIS A 258 19.714 21.704 -13.296 1.00 42.88 N ATOM 117 H HIS A 258 17.650 15.963 -12.268 1.00 0.00 H ATOM 118 N PHE A 259 18.405 18.028 -9.600 1.00 29.02 N ATOM 119 CA PHE A 259 18.574 18.586 -8.251 1.00 29.80 C ATOM 120 C PHE A 259 19.864 18.058 -7.600 1.00 31.91 C ATOM 121 O PHE A 259 20.592 18.819 -6.955 1.00 31.94 O ATOM 122 CB PHE A 259 17.347 18.260 -7.377 1.00 32.43 C ATOM 123 CG PHE A 259 16.291 19.336 -7.407 1.00 35.29 C ATOM 124 CD1 PHE A 259 16.197 20.269 -6.380 1.00 39.74 C ATOM 125 CD2 PHE A 259 15.423 19.451 -8.488 1.00 38.94 C ATOM 126 CE1 PHE A 259 15.240 21.295 -6.425 1.00 41.93 C ATOM 127 CE2 PHE A 259 14.459 20.469 -8.530 1.00 43.58 C ATOM 128 CZ PHE A 259 14.378 21.388 -7.500 1.00 42.24 C ATOM 129 H PHE A 259 17.590 17.411 -9.790 1.00 0.00 H ATOM 130 N ILE A 260 20.162 16.777 -7.819 1.00 27.43 N ATOM 131 CA ILE A 260 21.359 16.108 -7.302 1.00 27.73 C ATOM 132 C ILE A 260 22.600 16.667 -8.009 1.00 29.56 C ATOM 133 O ILE A 260 23.584 17.014 -7.349 1.00 27.65 O ATOM 134 CB ILE A 260 21.249 14.565 -7.478 1.00 31.77 C ATOM 135 CG1 ILE A 260 20.001 13.967 -6.753 1.00 33.96 C ATOM 136 CG2 ILE A 260 22.558 13.837 -7.089 1.00 31.18 C ATOM 137 CD1 ILE A 260 20.001 13.870 -5.276 1.00 46.88 C ATOM 138 H ILE A 260 19.502 16.216 -8.394 1.00 0.00 H ATOM 139 N MET A 261 22.562 16.733 -9.346 1.00 28.15 N ATOM 140 CA MET A 261 23.687 17.246 -10.148 1.00 29.03 C ATOM 141 C MET A 261 24.040 18.692 -9.839 1.00 34.11 C ATOM 142 O MET A 261 25.215 18.997 -9.651 1.00 32.98 O ATOM 143 CB MET A 261 23.451 17.058 -11.642 1.00 32.56 C ATOM 144 CG MET A 261 23.527 15.615 -12.065 1.00 37.40 C ATOM 145 SD MET A 261 25.048 14.839 -11.468 1.00 42.36 S ATOM 146 CE MET A 261 26.229 15.670 -12.499 1.00 38.79 C ATOM 147 H MET A 261 21.705 16.409 -9.838 1.00 0.00 H ATOM 148 N ASP A 262 23.031 19.566 -9.739 1.00 33.00 N ATOM 149 CA ASP A 262 23.242 20.975 -9.424 1.00 34.62 C ATOM 150 C ASP A 262 23.942 21.154 -8.080 1.00 37.83 C ATOM 151 O ASP A 262 24.869 21.949 -7.979 1.00 38.58 O ATOM 152 CB ASP A 262 21.910 21.737 -9.426 1.00 38.51 C ATOM 153 CG ASP A 262 22.075 23.172 -8.978 1.00 53.97 C ATOM 154 OD1 ASP A 262 22.644 23.971 -9.755 1.00 55.56 O ATOM 155 OD2 ASP A 262 21.702 23.479 -7.817 1.00 61.17 O ATOM 156 H ASP A 262 22.059 19.228 -9.892 1.00 0.00 H ATOM 157 N SER A 263 23.485 20.434 -7.053 1.00 33.38 N ATOM 158 CA SER A 263 24.050 20.496 -5.706 1.00 33.02 C ATOM 159 C SER A 263 25.468 19.909 -5.670 1.00 34.21 C ATOM 160 O SER A 263 26.326 20.438 -4.974 1.00 32.65 O ATOM 161 CB SER A 263 23.151 19.745 -4.729 1.00 37.71 C ATOM 162 OG SER A 263 23.675 19.790 -3.413 1.00 46.30 O ATOM 163 HG SER A 263 23.073 19.296 -2.802 1.00 0.00 H ATOM 164 H SER A 263 22.683 19.794 -7.220 1.00 0.00 H ATOM 165 N TYR A 264 25.715 18.824 -6.418 1.00 30.25 N ATOM 166 CA TYR A 264 27.034 18.189 -6.448 1.00 30.76 C ATOM 167 C TYR A 264 28.082 19.073 -7.108 1.00 39.92 C ATOM 168 O TYR A 264 29.225 19.068 -6.684 1.00 37.62 O ATOM 169 CB TYR A 264 26.977 16.839 -7.162 1.00 30.40 C ATOM 170 CG TYR A 264 28.173 15.963 -6.858 1.00 30.40 C ATOM 171 CD1 TYR A 264 28.288 15.306 -5.637 1.00 30.77 C ATOM 172 CD2 TYR A 264 29.186 15.781 -7.796 1.00 31.13 C ATOM 173 CE1 TYR A 264 29.375 14.484 -5.357 1.00 30.58 C ATOM 174 CE2 TYR A 264 30.267 14.935 -7.537 1.00 31.29 C ATOM 175 CZ TYR A 264 30.361 14.301 -6.310 1.00 34.47 C ATOM 176 OH TYR A 264 31.432 13.507 -5.999 1.00 36.63 O ATOM 177 HH TYR A 264 32.263 14.044 -6.042 1.00 0.00 H ATOM 178 H TYR A 264 24.948 18.422 -6.993 1.00 0.00 H ATOM 179 N ASN A 265 27.688 19.827 -8.138 1.00 42.90 N ATOM 180 CA ASN A 265 28.541 20.741 -8.898 1.00 46.22 C ATOM 181 C ASN A 265 29.025 21.958 -8.086 1.00 55.97 C ATOM 182 O ASN A 265 29.949 22.647 -8.527 1.00 55.81 O ATOM 183 CB ASN A 265 27.803 21.212 -10.161 1.00 48.54 C ATOM 184 CG ASN A 265 27.619 20.149 -11.217 1.00 74.17 C ATOM 185 OD1 ASN A 265 28.373 19.175 -11.309 1.00 64.12 O ATOM 186 ND2 ASN A 265 26.603 20.322 -12.052 1.00 70.85 N ATOM 187 HD22 ASN A 265 25.983 21.151 -11.952 1.00 0.00 H ATOM 188 HD21 ASN A 265 26.426 19.628 -12.806 1.00 0.00 H ATOM 189 H ASN A 265 26.690 19.758 -8.424 1.00 0.00 H ATOM 190 N LYS A 266 28.402 22.224 -6.915 1.00 56.41 N ATOM 191 CA LYS A 266 28.741 23.358 -6.048 1.00 58.35 C ATOM 192 C LYS A 266 30.078 23.201 -5.317 1.00 66.64 C ATOM 193 O LYS A 266 30.704 24.218 -5.008 1.00 67.36 O ATOM 194 CB LYS A 266 27.607 23.675 -5.053 1.00 60.87 C ATOM 195 CG LYS A 266 26.258 24.030 -5.693 1.00 75.41 C ATOM 196 CD LYS A 266 26.270 25.346 -6.469 1.00 86.33 C ATOM 197 CE LYS A 266 25.042 25.486 -7.333 1.00100.58 C ATOM 198 NZ LYS A 266 25.202 26.562 -8.347 1.00113.40 N ATOM 199 HZ1 LYS A 266 25.369 27.469 -7.865 1.00 0.00 H ATOM 200 HZ2 LYS A 266 26.011 26.340 -8.961 1.00 0.00 H ATOM 201 HZ3 LYS A 266 24.337 26.627 -8.921 1.00 0.00 H ATOM 202 H LYS A 266 27.638 21.587 -6.612 1.00 0.00 H ATOM 203 N GLN A 267 30.524 21.951 -5.048 1.00 65.46 N ATOM 204 CA GLN A 267 31.798 21.700 -4.359 1.00 66.47 C ATOM 205 C GLN A 267 33.007 22.110 -5.178 1.00 73.57 C ATOM 206 O GLN A 267 33.173 21.676 -6.320 1.00 73.58 O ATOM 207 CB GLN A 267 31.963 20.256 -3.832 1.00 67.14 C ATOM 208 CG GLN A 267 31.216 19.151 -4.563 1.00 86.20 C ATOM 209 CD GLN A 267 32.044 18.423 -5.597 1.00107.33 C ATOM 210 OE1 GLN A 267 32.408 17.259 -5.419 1.00102.45 O ATOM 211 NE2 GLN A 267 32.267 19.050 -6.745 1.00 99.89 N ATOM 212 HE22 GLN A 267 31.950 20.032 -6.871 1.00 0.00 H ATOM 213 HE21 GLN A 267 32.759 18.559 -7.519 1.00 0.00 H ATOM 214 H GLN A 267 29.944 21.139 -5.340 1.00 0.00 H ATOM 215 N ARG A 268 33.841 22.970 -4.583 1.00 72.27 N ATOM 216 CA ARG A 268 35.060 23.479 -5.197 1.00 73.17 C ATOM 217 C ARG A 268 36.173 23.568 -4.159 1.00 77.70 C ATOM 218 O ARG A 268 35.942 24.022 -3.033 1.00 77.58 O ATOM 219 CB ARG A 268 34.813 24.845 -5.864 1.00 74.85 C ATOM 220 CG ARG A 268 35.398 24.958 -7.273 1.00 89.14 C ATOM 221 CD ARG A 268 36.879 25.318 -7.278 1.00101.91 C ATOM 222 NE ARG A 268 37.673 24.380 -8.077 1.00110.14 N ATOM 223 CZ ARG A 268 37.995 24.561 -9.355 1.00125.09 C ATOM 224 NH1 ARG A 268 38.721 23.655 -9.996 1.00111.60 N ATOM 225 NH2 ARG A 268 37.595 25.650 -10.001 1.00113.48 N ATOM 226 HE ARG A 268 38.008 23.512 -7.612 1.00 0.00 H ATOM 227 HH12 ARG A 268 38.970 23.801 -10.995 1.00 0.00 H ATOM 228 HH11 ARG A 268 39.041 22.799 -9.500 1.00 0.00 H ATOM 229 HH22 ARG A 268 37.850 25.785 -11.000 1.00 0.00 H ATOM 230 HH21 ARG A 268 37.026 26.368 -9.508 1.00 0.00 H ATOM 231 H ARG A 268 33.605 23.295 -3.624 1.00 0.00 H ATOM 232 N MET A 269 37.376 23.113 -4.548 1.00 73.98 N ATOM 233 CA MET A 269 38.587 23.112 -3.727 1.00 73.26 C ATOM 234 C MET A 269 39.027 24.576 -3.502 1.00 73.67 C ATOM 235 O MET A 269 39.331 25.265 -4.483 1.00 74.31 O ATOM 236 CB MET A 269 39.683 22.284 -4.437 1.00 76.12 C ATOM 237 CG MET A 269 40.953 22.068 -3.622 1.00 80.57 C ATOM 238 SD MET A 269 41.398 20.334 -3.271 1.00 84.89 S ATOM 239 CE MET A 269 41.337 19.601 -4.929 1.00 81.76 C ATOM 240 H MET A 269 37.453 22.730 -5.512 1.00 0.00 H ATOM 241 N PRO A 270 39.008 25.093 -2.244 1.00 66.37 N ATOM 242 CA PRO A 270 39.418 26.491 -2.022 1.00 65.74 C ATOM 243 C PRO A 270 40.884 26.730 -2.379 1.00 66.13 C ATOM 244 O PRO A 270 41.715 25.827 -2.239 1.00 64.92 O ATOM 245 CB PRO A 270 39.144 26.718 -0.528 1.00 67.45 C ATOM 246 CG PRO A 270 38.235 25.608 -0.120 1.00 71.42 C ATOM 247 CD PRO A 270 38.647 24.447 -0.969 1.00 66.71 C ATOM 248 N GLN A 271 41.177 27.942 -2.878 1.00 60.96 N ATOM 249 CA GLN A 271 42.498 28.390 -3.314 1.00 60.03 C ATOM 250 C GLN A 271 43.560 28.276 -2.239 1.00 59.95 C ATOM 251 O GLN A 271 44.668 27.839 -2.545 1.00 59.18 O ATOM 252 CB GLN A 271 42.437 29.831 -3.848 1.00 62.96 C ATOM 253 CG GLN A 271 42.291 29.925 -5.366 1.00 81.79 C ATOM 254 CD GLN A 271 43.581 29.685 -6.124 1.00100.69 C ATOM 255 OE1 GLN A 271 44.646 30.227 -5.800 1.00 96.48 O ATOM 256 NE2 GLN A 271 43.499 28.902 -7.187 1.00 92.50 N ATOM 257 HE22 GLN A 271 42.592 28.459 -7.438 1.00 0.00 H ATOM 258 HE21 GLN A 271 44.341 28.730 -7.772 1.00 0.00 H ATOM 259 H GLN A 271 40.395 28.622 -2.962 1.00 0.00 H ATOM 260 N GLU A 272 43.231 28.663 -0.987 1.00 54.58 N ATOM 261 CA GLU A 272 44.170 28.625 0.133 1.00 53.97 C ATOM 262 C GLU A 272 44.644 27.213 0.464 1.00 53.94 C ATOM 263 O GLU A 272 45.814 27.049 0.797 1.00 53.14 O ATOM 264 CB GLU A 272 43.625 29.352 1.375 1.00 56.01 C ATOM 265 CG GLU A 272 44.694 29.727 2.402 1.00 69.79 C ATOM 266 CD GLU A 272 46.012 30.258 1.860 1.00 93.48 C ATOM 267 OE1 GLU A 272 46.008 31.343 1.232 1.00 96.45 O ATOM 268 OE2 GLU A 272 47.048 29.579 2.051 1.00 80.31 O ATOM 269 H GLU A 272 42.264 29.004 -0.812 1.00 0.00 H ATOM 270 N ILE A 273 43.768 26.200 0.330 1.00 48.76 N ATOM 271 CA ILE A 273 44.160 24.812 0.563 1.00 47.92 C ATOM 272 C ILE A 273 45.080 24.331 -0.575 1.00 50.80 C ATOM 273 O ILE A 273 46.090 23.686 -0.303 1.00 50.88 O ATOM 274 CB ILE A 273 42.937 23.885 0.852 1.00 50.76 C ATOM 275 CG1 ILE A 273 43.084 23.140 2.208 1.00 50.76 C ATOM 276 CG2 ILE A 273 42.587 22.919 -0.294 1.00 52.16 C ATOM 277 CD1 ILE A 273 44.430 22.375 2.480 1.00 61.44 C ATOM 278 H ILE A 273 42.788 26.411 0.054 1.00 0.00 H ATOM 279 N THR A 274 44.765 24.726 -1.829 1.00 46.34 N ATOM 280 CA THR A 274 45.526 24.421 -3.043 1.00 45.33 C ATOM 281 C THR A 274 46.934 25.003 -2.962 1.00 46.68 C ATOM 282 O THR A 274 47.884 24.291 -3.256 1.00 46.36 O ATOM 283 CB THR A 274 44.730 24.860 -4.286 1.00 53.11 C ATOM 284 OG1 THR A 274 43.503 24.132 -4.307 1.00 53.52 O ATOM 285 CG2 THR A 274 45.482 24.626 -5.595 1.00 50.58 C ATOM 286 HG1 THR A 274 42.989 24.330 -3.485 1.00 0.00 H ATOM 287 H THR A 274 43.904 25.298 -1.942 1.00 0.00 H ATOM 288 N ASN A 275 47.067 26.273 -2.523 1.00 42.13 N ATOM 289 CA ASN A 275 48.352 26.959 -2.357 1.00 42.01 C ATOM 290 C ASN A 275 49.220 26.303 -1.277 1.00 43.74 C ATOM 291 O ASN A 275 50.442 26.303 -1.403 1.00 44.24 O ATOM 292 CB ASN A 275 48.155 28.448 -2.077 1.00 41.90 C ATOM 293 CG ASN A 275 47.445 29.211 -3.184 1.00 58.80 C ATOM 294 OD1 ASN A 275 47.274 28.731 -4.315 1.00 45.83 O ATOM 295 ND2 ASN A 275 46.988 30.417 -2.870 1.00 49.77 N ATOM 296 HD22 ASN A 275 47.143 30.800 -1.915 1.00 0.00 H ATOM 297 HD21 ASN A 275 46.475 30.979 -3.579 1.00 0.00 H ATOM 298 H ASN A 275 46.201 26.799 -2.287 1.00 0.00 H ATOM 299 N LYS A 276 48.592 25.720 -0.240 1.00 37.61 N ATOM 300 CA LYS A 276 49.293 25.004 0.831 1.00 36.23 C ATOM 301 C LYS A 276 49.982 23.746 0.307 1.00 38.22 C ATOM 302 O LYS A 276 51.124 23.502 0.681 1.00 38.21 O ATOM 303 CB LYS A 276 48.354 24.686 2.001 1.00 37.39 C ATOM 304 CG LYS A 276 48.080 25.904 2.868 1.00 49.64 C ATOM 305 CD LYS A 276 47.360 25.577 4.162 1.00 62.14 C ATOM 306 CE LYS A 276 47.019 26.860 4.885 1.00 79.80 C ATOM 307 NZ LYS A 276 46.640 26.634 6.304 1.00 92.64 N ATOM 308 HZ1 LYS A 276 45.807 26.013 6.344 1.00 0.00 H ATOM 309 HZ2 LYS A 276 47.433 26.185 6.806 1.00 0.00 H ATOM 310 HZ3 LYS A 276 46.417 27.546 6.751 1.00 0.00 H ATOM 311 H LYS A 276 47.555 25.780 -0.195 1.00 0.00 H ATOM 312 N ILE A 277 49.326 22.982 -0.597 1.00 34.25 N ATOM 313 CA ILE A 277 49.905 21.769 -1.212 1.00 34.72 C ATOM 314 C ILE A 277 51.177 22.140 -1.993 1.00 41.08 C ATOM 315 O ILE A 277 52.121 21.359 -2.062 1.00 41.41 O ATOM 316 CB ILE A 277 48.865 21.034 -2.118 1.00 37.56 C ATOM 317 CG1 ILE A 277 47.639 20.557 -1.300 1.00 36.75 C ATOM 318 CG2 ILE A 277 49.492 19.859 -2.883 1.00 38.47 C ATOM 319 CD1 ILE A 277 46.397 20.303 -2.131 1.00 41.34 C ATOM 320 H ILE A 277 48.364 23.263 -0.874 1.00 0.00 H ATOM 321 N LEU A 278 51.193 23.351 -2.557 1.00 38.66 N ATOM 322 CA LEU A 278 52.300 23.861 -3.338 1.00 40.25 C ATOM 323 C LEU A 278 53.428 24.480 -2.508 1.00 42.65 C ATOM 324 O LEU A 278 54.581 24.423 -2.936 1.00 44.34 O ATOM 325 CB LEU A 278 51.734 24.917 -4.312 1.00 41.67 C ATOM 326 CG LEU A 278 52.595 25.310 -5.504 1.00 49.94 C ATOM 327 CD1 LEU A 278 52.693 24.160 -6.504 1.00 51.41 C ATOM 328 CD2 LEU A 278 52.028 26.548 -6.188 1.00 52.13 C ATOM 329 H LEU A 278 50.362 23.963 -2.427 1.00 0.00 H ATOM 330 N LYS A 279 53.106 25.131 -1.378 1.00 36.08 N ATOM 331 CA LYS A 279 54.099 25.910 -0.637 1.00 35.78 C ATOM 332 C LYS A 279 54.674 25.297 0.641 1.00 37.33 C ATOM 333 O LYS A 279 55.839 25.560 0.941 1.00 37.47 O ATOM 334 CB LYS A 279 53.532 27.297 -0.296 1.00 38.21 C ATOM 335 CG LYS A 279 53.244 28.185 -1.503 1.00 48.87 C ATOM 336 CD LYS A 279 52.425 29.422 -1.120 1.00 56.18 C ATOM 337 CE LYS A 279 53.243 30.485 -0.419 1.00 58.92 C ATOM 338 NZ LYS A 279 52.423 31.675 -0.085 1.00 68.97 N ATOM 339 HZ1 LYS A 279 52.034 32.083 -0.959 1.00 0.00 H ATOM 340 HZ2 LYS A 279 51.644 31.392 0.543 1.00 0.00 H ATOM 341 HZ3 LYS A 279 53.018 32.381 0.394 1.00 0.00 H ATOM 342 H LYS A 279 52.130 25.080 -1.022 1.00 0.00 H ATOM 343 N GLU A 280 53.863 24.568 1.424 1.00 32.53 N ATOM 344 CA GLU A 280 54.264 23.999 2.718 1.00 32.62 C ATOM 345 C GLU A 280 55.469 23.078 2.676 1.00 36.00 C ATOM 346 O GLU A 280 55.704 22.412 1.673 1.00 34.58 O ATOM 347 CB GLU A 280 53.084 23.271 3.407 1.00 33.54 C ATOM 348 CG GLU A 280 51.928 24.163 3.838 1.00 46.38 C ATOM 349 CD GLU A 280 52.274 25.450 4.563 1.00 73.09 C ATOM 350 OE1 GLU A 280 53.126 25.418 5.480 1.00 78.58 O ATOM 351 OE2 GLU A 280 51.680 26.496 4.215 1.00 69.44 O ATOM 352 H GLU A 280 52.892 24.395 1.095 1.00 0.00 H ATOM 353 N ALA A 281 56.225 23.026 3.791 1.00 34.07 N ATOM 354 CA ALA A 281 57.380 22.146 3.944 1.00 34.28 C ATOM 355 C ALA A 281 56.904 20.693 3.782 1.00 37.63 C ATOM 356 O ALA A 281 55.789 20.361 4.186 1.00 36.67 O ATOM 357 CB ALA A 281 58.003 22.343 5.317 1.00 35.34 C ATOM 358 H ALA A 281 55.972 23.647 4.586 1.00 0.00 H ATOM 359 N PHE A 282 57.709 19.858 3.126 1.00 34.20 N ATOM 360 CA PHE A 282 57.338 18.472 2.903 1.00 32.71 C ATOM 361 C PHE A 282 57.788 17.631 4.098 1.00 37.48 C ATOM 362 O PHE A 282 58.888 17.092 4.097 1.00 37.58 O ATOM 363 CB PHE A 282 57.913 17.954 1.573 1.00 34.17 C ATOM 364 CG PHE A 282 57.331 16.638 1.117 1.00 33.85 C ATOM 365 CD1 PHE A 282 56.191 16.601 0.326 1.00 35.13 C ATOM 366 CD2 PHE A 282 57.933 15.434 1.467 1.00 36.07 C ATOM 367 CE1 PHE A 282 55.666 15.383 -0.109 1.00 35.51 C ATOM 368 CE2 PHE A 282 57.412 14.219 1.029 1.00 38.17 C ATOM 369 CZ PHE A 282 56.290 14.200 0.237 1.00 35.25 C ATOM 370 H PHE A 282 58.621 20.206 2.767 1.00 0.00 H ATOM 371 N SER A 283 56.945 17.553 5.130 1.00 34.23 N ATOM 372 CA SER A 283 57.229 16.786 6.353 1.00 34.77 C ATOM 373 C SER A 283 55.940 16.135 6.827 1.00 36.75 C ATOM 374 O SER A 283 54.872 16.617 6.465 1.00 34.82 O ATOM 375 CB SER A 283 57.777 17.702 7.443 1.00 38.29 C ATOM 376 OG SER A 283 56.746 18.520 7.972 1.00 48.76 O ATOM 377 HG SER A 283 56.038 17.947 8.360 1.00 0.00 H ATOM 378 H SER A 283 56.040 18.061 5.066 1.00 0.00 H ATOM 379 N ALA A 284 56.030 15.085 7.667 1.00 34.64 N ATOM 380 CA ALA A 284 54.854 14.379 8.196 1.00 34.43 C ATOM 381 C ALA A 284 53.839 15.327 8.842 1.00 39.13 C ATOM 382 O ALA A 284 52.646 15.219 8.562 1.00 39.52 O ATOM 383 CB ALA A 284 55.280 13.308 9.197 1.00 35.80 C ATOM 384 H ALA A 284 56.975 14.759 7.954 1.00 0.00 H ATOM 385 N GLU A 285 54.323 16.278 9.661 1.00 35.89 N ATOM 386 CA GLU A 285 53.507 17.248 10.393 1.00 34.89 C ATOM 387 C GLU A 285 52.758 18.217 9.476 1.00 35.89 C ATOM 388 O GLU A 285 51.542 18.377 9.616 1.00 33.17 O ATOM 389 CB GLU A 285 54.363 18.017 11.405 1.00 37.46 C ATOM 390 CG GLU A 285 54.759 17.204 12.627 1.00 54.87 C ATOM 391 CD GLU A 285 55.651 17.924 13.621 1.00 88.64 C ATOM 392 OE1 GLU A 285 55.274 17.995 14.814 1.00 86.96 O ATOM 393 OE2 GLU A 285 56.732 18.409 13.214 1.00 91.73 O ATOM 394 H GLU A 285 55.355 16.328 9.783 1.00 0.00 H ATOM 395 N GLU A 286 53.481 18.856 8.534 1.00 31.67 N ATOM 396 CA GLU A 286 52.883 19.805 7.592 1.00 31.13 C ATOM 397 C GLU A 286 51.906 19.119 6.659 1.00 34.36 C ATOM 398 O GLU A 286 50.860 19.692 6.366 1.00 33.43 O ATOM 399 CB GLU A 286 53.953 20.575 6.793 1.00 33.25 C ATOM 400 CG GLU A 286 54.791 21.546 7.618 1.00 46.61 C ATOM 401 CD GLU A 286 54.025 22.613 8.382 1.00 77.37 C ATOM 402 OE1 GLU A 286 53.157 23.281 7.775 1.00 67.51 O ATOM 403 OE2 GLU A 286 54.285 22.770 9.597 1.00 81.26 O ATOM 404 H GLU A 286 54.502 18.668 8.474 1.00 0.00 H ATOM 405 N ASN A 287 52.241 17.891 6.205 1.00 31.69 N ATOM 406 CA ASN A 287 51.410 17.101 5.292 1.00 30.62 C ATOM 407 C ASN A 287 50.099 16.703 5.938 1.00 33.26 C ATOM 408 O ASN A 287 49.043 16.870 5.329 1.00 32.03 O ATOM 409 CB ASN A 287 52.176 15.886 4.759 1.00 28.41 C ATOM 410 CG ASN A 287 53.298 16.272 3.804 1.00 41.24 C ATOM 411 OD1 ASN A 287 53.360 17.389 3.295 1.00 33.13 O ATOM 412 ND2 ASN A 287 54.205 15.361 3.526 1.00 27.16 N ATOM 413 HD22 ASN A 287 54.145 14.418 3.961 1.00 0.00 H ATOM 414 HD21 ASN A 287 54.982 15.583 2.871 1.00 0.00 H ATOM 415 H ASN A 287 53.143 17.482 6.523 1.00 0.00 H ATOM 416 N PHE A 288 50.159 16.232 7.185 1.00 30.40 N ATOM 417 CA PHE A 288 48.958 15.822 7.924 1.00 29.28 C ATOM 418 C PHE A 288 48.012 16.985 8.189 1.00 33.19 C ATOM 419 O PHE A 288 46.798 16.799 8.129 1.00 32.96 O ATOM 420 CB PHE A 288 49.323 15.086 9.224 1.00 30.72 C ATOM 421 CG PHE A 288 48.104 14.448 9.839 1.00 31.62 C ATOM 422 CD1 PHE A 288 47.644 13.212 9.390 1.00 33.16 C ATOM 423 CD2 PHE A 288 47.372 15.111 10.820 1.00 33.78 C ATOM 424 CE1 PHE A 288 46.490 12.640 9.933 1.00 33.91 C ATOM 425 CE2 PHE A 288 46.210 14.549 11.347 1.00 36.05 C ATOM 426 CZ PHE A 288 45.783 13.313 10.907 1.00 33.56 C ATOM 427 H PHE A 288 51.087 16.153 7.649 1.00 0.00 H ATOM 428 N LEU A 289 48.567 18.172 8.498 1.00 30.80 N ATOM 429 CA LEU A 289 47.837 19.423 8.733 1.00 31.62 C ATOM 430 C LEU A 289 47.037 19.816 7.463 1.00 32.99 C ATOM 431 O LEU A 289 45.921 20.318 7.576 1.00 31.11 O ATOM 432 CB LEU A 289 48.859 20.525 9.084 1.00 33.93 C ATOM 433 CG LEU A 289 48.581 21.459 10.269 1.00 42.10 C ATOM 434 CD1 LEU A 289 48.463 20.697 11.587 1.00 42.96 C ATOM 435 CD2 LEU A 289 49.705 22.474 10.410 1.00 46.92 C ATOM 436 H LEU A 289 49.603 18.205 8.577 1.00 0.00 H ATOM 437 N ILE A 290 47.625 19.605 6.257 1.00 28.91 N ATOM 438 CA ILE A 290 46.944 19.854 4.973 1.00 28.37 C ATOM 439 C ILE A 290 45.774 18.870 4.821 1.00 31.68 C ATOM 440 O ILE A 290 44.685 19.282 4.409 1.00 31.01 O ATOM 441 CB ILE A 290 47.919 19.787 3.764 1.00 31.41 C ATOM 442 CG1 ILE A 290 48.832 21.036 3.742 1.00 32.95 C ATOM 443 CG2 ILE A 290 47.146 19.662 2.439 1.00 30.63 C ATOM 444 CD1 ILE A 290 50.136 20.910 2.923 1.00 37.52 C ATOM 445 H ILE A 290 48.603 19.251 6.238 1.00 0.00 H ATOM 446 N LEU A 291 45.998 17.587 5.162 1.00 28.67 N ATOM 447 CA LEU A 291 44.961 16.544 5.122 1.00 28.78 C ATOM 448 C LEU A 291 43.786 16.912 6.033 1.00 32.58 C ATOM 449 O LEU A 291 42.625 16.763 5.634 1.00 31.82 O ATOM 450 CB LEU A 291 45.514 15.166 5.539 1.00 29.45 C ATOM 451 CG LEU A 291 46.588 14.521 4.659 1.00 35.40 C ATOM 452 CD1 LEU A 291 46.784 13.076 5.048 1.00 35.71 C ATOM 453 CD2 LEU A 291 46.218 14.604 3.208 1.00 38.03 C ATOM 454 H LEU A 291 46.955 17.319 5.470 1.00 0.00 H ATOM 455 N THR A 292 44.101 17.382 7.255 1.00 29.54 N ATOM 456 CA THR A 292 43.136 17.821 8.280 1.00 28.69 C ATOM 457 C THR A 292 42.259 18.952 7.720 1.00 31.52 C ATOM 458 O THR A 292 41.041 18.875 7.815 1.00 30.10 O ATOM 459 CB THR A 292 43.895 18.264 9.556 1.00 33.63 C ATOM 460 OG1 THR A 292 44.562 17.129 10.092 1.00 29.46 O ATOM 461 CG2 THR A 292 42.963 18.852 10.629 1.00 31.85 C ATOM 462 HG1 THR A 292 45.054 17.392 10.910 1.00 0.00 H ATOM 463 H THR A 292 45.111 17.440 7.496 1.00 0.00 H ATOM 464 N GLU A 293 42.886 19.976 7.098 1.00 29.34 N ATOM 465 CA GLU A 293 42.182 21.105 6.502 1.00 29.16 C ATOM 466 C GLU A 293 41.257 20.650 5.377 1.00 32.02 C ATOM 467 O GLU A 293 40.139 21.147 5.262 1.00 31.29 O ATOM 468 CB GLU A 293 43.168 22.167 6.013 1.00 31.09 C ATOM 469 CG GLU A 293 42.544 23.545 5.893 1.00 46.90 C ATOM 470 CD GLU A 293 43.520 24.658 5.569 1.00 64.79 C ATOM 471 OE1 GLU A 293 44.598 24.712 6.204 1.00 47.80 O ATOM 472 OE2 GLU A 293 43.193 25.495 4.698 1.00 66.35 O ATOM 473 H GLU A 293 43.924 19.957 7.042 1.00 0.00 H ATOM 474 N MET A 294 41.712 19.688 4.575 1.00 28.44 N ATOM 475 CA MET A 294 40.907 19.128 3.491 1.00 28.25 C ATOM 476 C MET A 294 39.677 18.381 4.034 1.00 30.41 C ATOM 477 O MET A 294 38.579 18.537 3.495 1.00 28.06 O ATOM 478 CB MET A 294 41.771 18.252 2.592 1.00 31.10 C ATOM 479 CG MET A 294 42.763 19.070 1.804 1.00 37.01 C ATOM 480 SD MET A 294 43.715 18.048 0.703 1.00 43.54 S ATOM 481 CE MET A 294 42.464 17.806 -0.627 1.00 40.44 C ATOM 482 H MET A 294 42.674 19.323 4.726 1.00 0.00 H ATOM 483 N ALA A 295 39.860 17.609 5.123 1.00 27.26 N ATOM 484 CA ALA A 295 38.789 16.882 5.818 1.00 27.19 C ATOM 485 C ALA A 295 37.747 17.839 6.424 1.00 29.07 C ATOM 486 O ALA A 295 36.557 17.567 6.300 1.00 27.85 O ATOM 487 CB ALA A 295 39.375 15.992 6.904 1.00 28.56 C ATOM 488 H ALA A 295 40.826 17.522 5.498 1.00 0.00 H ATOM 489 N THR A 296 38.176 18.972 7.034 1.00 24.16 N ATOM 490 CA THR A 296 37.221 19.939 7.604 1.00 25.38 C ATOM 491 C THR A 296 36.452 20.658 6.499 1.00 31.03 C ATOM 492 O THR A 296 35.269 20.944 6.689 1.00 31.17 O ATOM 493 CB THR A 296 37.865 20.923 8.583 1.00 35.75 C ATOM 494 OG1 THR A 296 38.697 21.821 7.858 1.00 41.02 O ATOM 495 CG2 THR A 296 38.638 20.234 9.681 1.00 36.50 C ATOM 496 HG1 THR A 296 38.150 22.316 7.198 1.00 0.00 H ATOM 497 H THR A 296 39.196 19.162 7.101 1.00 0.00 H ATOM 498 N ASN A 297 37.121 20.961 5.348 1.00 27.19 N ATOM 499 CA ASN A 297 36.445 21.589 4.213 1.00 26.77 C ATOM 500 C ASN A 297 35.412 20.603 3.637 1.00 29.73 C ATOM 501 O ASN A 297 34.285 20.997 3.374 1.00 29.54 O ATOM 502 CB ASN A 297 37.445 22.019 3.123 1.00 25.59 C ATOM 503 CG ASN A 297 38.135 23.343 3.356 1.00 40.99 C ATOM 504 OD1 ASN A 297 37.586 24.289 3.948 1.00 35.09 O ATOM 505 ND2 ASN A 297 39.331 23.471 2.804 1.00 33.97 N ATOM 506 HD22 ASN A 297 39.767 22.663 2.315 1.00 0.00 H ATOM 507 HD21 ASN A 297 39.835 24.379 2.859 1.00 0.00 H ATOM 508 H ASN A 297 38.135 20.740 5.277 1.00 0.00 H ATOM 509 N HIS A 298 35.795 19.315 3.459 1.00 26.84 N ATOM 510 CA HIS A 298 34.885 18.302 2.920 1.00 26.74 C ATOM 511 C HIS A 298 33.611 18.117 3.755 1.00 31.90 C ATOM 512 O HIS A 298 32.537 18.008 3.173 1.00 32.51 O ATOM 513 CB HIS A 298 35.569 16.948 2.662 1.00 27.54 C ATOM 514 CG HIS A 298 34.620 15.946 2.060 1.00 30.64 C ATOM 515 ND1 HIS A 298 34.055 14.951 2.827 1.00 32.21 N ATOM 516 CD2 HIS A 298 34.044 15.931 0.834 1.00 31.93 C ATOM 517 CE1 HIS A 298 33.200 14.322 2.037 1.00 31.31 C ATOM 518 NE2 HIS A 298 33.170 14.863 0.822 1.00 31.79 N ATOM 519 H HIS A 298 36.765 19.038 3.713 1.00 0.00 H ATOM 520 N VAL A 299 33.721 18.080 5.091 1.00 29.40 N ATOM 521 CA VAL A 299 32.546 17.931 5.981 1.00 30.75 C ATOM 522 C VAL A 299 31.524 19.057 5.733 1.00 30.65 C ATOM 523 O VAL A 299 30.316 18.800 5.672 1.00 28.76 O ATOM 524 CB VAL A 299 32.924 17.816 7.488 1.00 37.38 C ATOM 525 CG1 VAL A 299 31.685 17.559 8.343 1.00 38.01 C ATOM 526 CG2 VAL A 299 33.942 16.700 7.713 1.00 37.80 C ATOM 527 H VAL A 299 34.666 18.159 5.518 1.00 0.00 H ATOM 528 N GLN A 300 32.018 20.301 5.585 1.00 26.18 N ATOM 529 CA GLN A 300 31.172 21.457 5.341 1.00 25.86 C ATOM 530 C GLN A 300 30.478 21.337 4.000 1.00 27.50 C ATOM 531 O GLN A 300 29.279 21.561 3.910 1.00 26.53 O ATOM 532 CB GLN A 300 31.989 22.744 5.430 1.00 28.01 C ATOM 533 CG GLN A 300 32.550 22.996 6.826 1.00 35.19 C ATOM 534 CD GLN A 300 33.386 24.236 6.821 1.00 46.65 C ATOM 535 OE1 GLN A 300 32.874 25.351 6.813 1.00 46.89 O ATOM 536 NE2 GLN A 300 34.687 24.069 6.776 1.00 35.75 N ATOM 537 HE22 GLN A 300 35.089 23.110 6.784 1.00 0.00 H ATOM 538 HE21 GLN A 300 35.316 24.896 6.732 1.00 0.00 H ATOM 539 H GLN A 300 33.047 20.440 5.648 1.00 0.00 H ATOM 540 N VAL A 301 31.228 20.923 2.975 1.00 25.66 N ATOM 541 CA VAL A 301 30.751 20.697 1.616 1.00 26.15 C ATOM 542 C VAL A 301 29.686 19.579 1.613 1.00 29.78 C ATOM 543 O VAL A 301 28.653 19.704 0.945 1.00 29.64 O ATOM 544 CB VAL A 301 31.972 20.378 0.715 1.00 31.21 C ATOM 545 CG1 VAL A 301 31.597 19.525 -0.497 1.00 31.03 C ATOM 546 CG2 VAL A 301 32.681 21.658 0.295 1.00 31.86 C ATOM 547 H VAL A 301 32.236 20.747 3.162 1.00 0.00 H ATOM 548 N LEU A 302 29.953 18.494 2.360 1.00 25.70 N ATOM 549 CA LEU A 302 29.060 17.347 2.460 1.00 25.91 C ATOM 550 C LEU A 302 27.717 17.761 3.094 1.00 27.89 C ATOM 551 O LEU A 302 26.661 17.380 2.593 1.00 27.32 O ATOM 552 CB LEU A 302 29.725 16.229 3.269 1.00 26.53 C ATOM 553 CG LEU A 302 28.826 15.059 3.675 1.00 32.83 C ATOM 554 CD1 LEU A 302 28.478 14.198 2.476 1.00 33.57 C ATOM 555 CD2 LEU A 302 29.464 14.253 4.773 1.00 35.28 C ATOM 556 H LEU A 302 30.844 18.472 2.895 1.00 0.00 H ATOM 557 N VAL A 303 27.753 18.565 4.145 1.00 24.16 N ATOM 558 CA VAL A 303 26.506 19.005 4.791 1.00 24.49 C ATOM 559 C VAL A 303 25.670 19.846 3.813 1.00 28.70 C ATOM 560 O VAL A 303 24.465 19.621 3.705 1.00 27.97 O ATOM 561 CB VAL A 303 26.742 19.712 6.158 1.00 28.66 C ATOM 562 CG1 VAL A 303 25.437 20.280 6.725 1.00 29.18 C ATOM 563 CG2 VAL A 303 27.379 18.757 7.162 1.00 28.22 C ATOM 564 H VAL A 303 28.669 18.888 4.517 1.00 0.00 H ATOM 565 N GLU A 304 26.323 20.772 3.058 1.00 27.02 N ATOM 566 CA GLU A 304 25.633 21.648 2.099 1.00 27.20 C ATOM 567 C GLU A 304 24.976 20.842 0.988 1.00 29.62 C ATOM 568 O GLU A 304 23.842 21.121 0.614 1.00 30.14 O ATOM 569 CB GLU A 304 26.584 22.724 1.525 1.00 28.70 C ATOM 570 CG GLU A 304 26.963 23.830 2.503 1.00 45.45 C ATOM 571 CD GLU A 304 25.847 24.395 3.367 1.00 75.84 C ATOM 572 OE1 GLU A 304 24.845 24.890 2.802 1.00 75.53 O ATOM 573 OE2 GLU A 304 25.965 24.318 4.613 1.00 74.13 O ATOM 574 H GLU A 304 27.354 20.864 3.164 1.00 0.00 H ATOM 575 N PHE A 305 25.682 19.828 0.485 1.00 24.79 N ATOM 576 CA PHE A 305 25.188 18.921 -0.549 1.00 24.27 C ATOM 577 C PHE A 305 23.987 18.152 -0.046 1.00 29.19 C ATOM 578 O PHE A 305 22.957 18.108 -0.719 1.00 29.96 O ATOM 579 CB PHE A 305 26.298 17.935 -0.965 1.00 25.29 C ATOM 580 CG PHE A 305 25.829 16.846 -1.904 1.00 26.05 C ATOM 581 CD1 PHE A 305 25.382 17.152 -3.183 1.00 27.78 C ATOM 582 CD2 PHE A 305 25.831 15.511 -1.505 1.00 26.49 C ATOM 583 CE1 PHE A 305 24.937 16.147 -4.048 1.00 27.60 C ATOM 584 CE2 PHE A 305 25.414 14.508 -2.382 1.00 27.80 C ATOM 585 CZ PHE A 305 24.974 14.834 -3.646 1.00 26.14 C ATOM 586 H PHE A 305 26.643 19.673 0.851 1.00 0.00 H ATOM 587 N THR A 306 24.115 17.554 1.145 1.00 26.37 N ATOM 588 CA THR A 306 23.078 16.746 1.793 1.00 27.00 C ATOM 589 C THR A 306 21.788 17.528 2.013 1.00 32.27 C ATOM 590 O THR A 306 20.700 16.987 1.798 1.00 32.10 O ATOM 591 CB THR A 306 23.637 16.129 3.082 1.00 30.53 C ATOM 592 OG1 THR A 306 24.801 15.385 2.751 1.00 24.52 O ATOM 593 CG2 THR A 306 22.659 15.221 3.763 1.00 31.43 C ATOM 594 HG1 THR A 306 25.472 15.988 2.344 1.00 0.00 H ATOM 595 H THR A 306 25.018 17.672 1.648 1.00 0.00 H ATOM 596 N LYS A 307 21.906 18.803 2.422 1.00 29.83 N ATOM 597 CA LYS A 307 20.747 19.667 2.676 1.00 31.01 C ATOM 598 C LYS A 307 19.873 19.903 1.453 1.00 35.30 C ATOM 599 O LYS A 307 18.668 20.111 1.598 1.00 36.25 O ATOM 600 CB LYS A 307 21.192 21.008 3.286 1.00 32.84 C ATOM 601 CG LYS A 307 21.493 20.911 4.778 1.00 38.09 C ATOM 602 CD LYS A 307 22.234 22.147 5.316 1.00 51.12 C ATOM 603 CE LYS A 307 21.378 23.389 5.475 1.00 65.94 C ATOM 604 NZ LYS A 307 21.429 24.266 4.274 1.00 78.58 N ATOM 605 HZ1 LYS A 307 22.410 24.569 4.109 1.00 0.00 H ATOM 606 HZ2 LYS A 307 21.083 23.739 3.447 1.00 0.00 H ATOM 607 HZ3 LYS A 307 20.829 25.101 4.430 1.00 0.00 H ATOM 608 H LYS A 307 22.859 19.194 2.565 1.00 0.00 H ATOM 609 N LYS A 308 20.474 19.854 0.257 1.00 32.16 N ATOM 610 CA LYS A 308 19.790 20.056 -1.019 1.00 32.42 C ATOM 611 C LYS A 308 19.268 18.755 -1.638 1.00 36.41 C ATOM 612 O LYS A 308 18.618 18.815 -2.686 1.00 36.33 O ATOM 613 CB LYS A 308 20.696 20.816 -1.998 1.00 34.96 C ATOM 614 CG LYS A 308 20.858 22.288 -1.623 1.00 52.38 C ATOM 615 CD LYS A 308 21.712 23.030 -2.628 1.00 64.60 C ATOM 616 CE LYS A 308 22.702 23.947 -1.955 1.00 74.82 C ATOM 617 NZ LYS A 308 23.859 23.197 -1.395 1.00 78.79 N ATOM 618 HZ1 LYS A 308 23.518 22.511 -0.691 1.00 0.00 H ATOM 619 HZ2 LYS A 308 24.349 22.694 -2.162 1.00 0.00 H ATOM 620 HZ3 LYS A 308 24.516 23.864 -0.941 1.00 0.00 H ATOM 621 H LYS A 308 21.495 19.659 0.235 1.00 0.00 H ATOM 622 N LEU A 309 19.554 17.586 -1.014 1.00 33.19 N ATOM 623 CA LEU A 309 19.072 16.289 -1.515 1.00 33.22 C ATOM 624 C LEU A 309 17.544 16.258 -1.401 1.00 38.07 C ATOM 625 O LEU A 309 17.032 16.485 -0.302 1.00 37.09 O ATOM 626 CB LEU A 309 19.644 15.098 -0.714 1.00 33.12 C ATOM 627 CG LEU A 309 21.127 14.796 -0.779 1.00 37.18 C ATOM 628 CD1 LEU A 309 21.447 13.546 0.018 1.00 37.40 C ATOM 629 CD2 LEU A 309 21.603 14.626 -2.196 1.00 38.55 C ATOM 630 H LEU A 309 20.134 17.607 -0.151 1.00 0.00 H ATOM 631 N PRO A 310 16.802 16.014 -2.509 1.00 36.20 N ATOM 632 CA PRO A 310 15.329 15.988 -2.423 1.00 36.37 C ATOM 633 C PRO A 310 14.812 15.101 -1.293 1.00 37.09 C ATOM 634 O PRO A 310 15.110 13.905 -1.266 1.00 35.36 O ATOM 635 CB PRO A 310 14.916 15.425 -3.793 1.00 38.63 C ATOM 636 CG PRO A 310 16.001 15.846 -4.708 1.00 43.08 C ATOM 637 CD PRO A 310 17.261 15.737 -3.889 1.00 38.13 C ATOM 638 N GLY A 311 14.104 15.713 -0.343 1.00 33.09 N ATOM 639 CA GLY A 311 13.509 15.009 0.789 1.00 32.69 C ATOM 640 C GLY A 311 14.324 14.946 2.068 1.00 34.90 C ATOM 641 O GLY A 311 13.760 14.669 3.129 1.00 35.65 O ATOM 642 H GLY A 311 13.969 16.742 -0.412 1.00 0.00 H ATOM 643 N PHE A 312 15.642 15.193 2.012 1.00 29.46 N ATOM 644 CA PHE A 312 16.480 15.134 3.220 1.00 29.16 C ATOM 645 C PHE A 312 15.925 15.975 4.372 1.00 37.24 C ATOM 646 O PHE A 312 15.850 15.490 5.505 1.00 37.03 O ATOM 647 CB PHE A 312 17.912 15.574 2.942 1.00 29.30 C ATOM 648 CG PHE A 312 18.808 15.352 4.136 1.00 30.39 C ATOM 649 CD1 PHE A 312 19.273 14.079 4.448 1.00 33.65 C ATOM 650 CD2 PHE A 312 19.154 16.406 4.970 1.00 31.95 C ATOM 651 CE1 PHE A 312 20.089 13.867 5.560 1.00 35.06 C ATOM 652 CE2 PHE A 312 19.967 16.196 6.083 1.00 35.72 C ATOM 653 CZ PHE A 312 20.431 14.929 6.370 1.00 33.94 C ATOM 654 H PHE A 312 16.079 15.430 1.098 1.00 0.00 H ATOM 655 N GLN A 313 15.553 17.234 4.067 1.00 35.75 N ATOM 656 CA GLN A 313 14.993 18.204 5.013 1.00 37.91 C ATOM 657 C GLN A 313 13.622 17.773 5.567 1.00 43.37 C ATOM 658 O GLN A 313 13.164 18.363 6.550 1.00 45.02 O ATOM 659 CB GLN A 313 14.886 19.585 4.341 1.00 39.59 C ATOM 660 CG GLN A 313 15.574 20.694 5.106 1.00 65.07 C ATOM 661 CD GLN A 313 17.012 20.836 4.702 1.00 80.44 C ATOM 662 OE1 GLN A 313 17.876 20.069 5.125 1.00 78.32 O ATOM 663 NE2 GLN A 313 17.297 21.826 3.875 1.00 71.07 N ATOM 664 HE22 GLN A 313 16.541 22.455 3.537 1.00 0.00 H ATOM 665 HE21 GLN A 313 18.277 21.976 3.562 1.00 0.00 H ATOM 666 H GLN A 313 15.673 17.542 3.081 1.00 0.00 H ATOM 667 N THR A 314 12.965 16.766 4.942 1.00 38.46 N ATOM 668 CA THR A 314 11.649 16.285 5.397 1.00 39.69 C ATOM 669 C THR A 314 11.768 15.182 6.451 1.00 44.76 C ATOM 670 O THR A 314 10.771 14.826 7.080 1.00 46.34 O ATOM 671 CB THR A 314 10.738 15.869 4.231 1.00 42.65 C ATOM 672 OG1 THR A 314 11.174 14.611 3.712 1.00 38.95 O ATOM 673 CG2 THR A 314 10.661 16.924 3.125 1.00 40.72 C ATOM 674 HG1 THR A 314 12.107 14.693 3.390 1.00 0.00 H ATOM 675 H THR A 314 13.405 16.318 4.113 1.00 0.00 H ATOM 676 N LEU A 315 12.979 14.647 6.646 1.00 39.86 N ATOM 677 CA LEU A 315 13.236 13.608 7.643 1.00 39.70 C ATOM 678 C LEU A 315 13.270 14.218 9.049 1.00 45.50 C ATOM 679 O LEU A 315 13.501 15.422 9.188 1.00 43.60 O ATOM 680 CB LEU A 315 14.579 12.919 7.361 1.00 37.83 C ATOM 681 CG LEU A 315 14.712 12.174 6.022 1.00 40.62 C ATOM 682 CD1 LEU A 315 16.108 11.672 5.827 1.00 38.98 C ATOM 683 CD2 LEU A 315 13.741 11.012 5.929 1.00 42.60 C ATOM 684 H LEU A 315 13.772 14.985 6.063 1.00 0.00 H ATOM 685 N ASP A 316 13.063 13.374 10.084 1.00 44.91 N ATOM 686 CA ASP A 316 13.145 13.749 11.497 1.00 46.69 C ATOM 687 C ASP A 316 14.545 14.321 11.722 1.00 47.75 C ATOM 688 O ASP A 316 15.520 13.765 11.208 1.00 45.76 O ATOM 689 CB ASP A 316 12.896 12.515 12.393 1.00 50.50 C ATOM 690 CG ASP A 316 13.481 12.603 13.792 1.00 69.10 C ATOM 691 OD1 ASP A 316 12.887 13.307 14.646 1.00 73.29 O ATOM 692 OD2 ASP A 316 14.534 11.974 14.035 1.00 74.86 O ATOM 693 H ASP A 316 12.828 12.386 9.860 1.00 0.00 H ATOM 694 N HIS A 317 14.637 15.458 12.432 1.00 43.86 N ATOM 695 CA HIS A 317 15.903 16.153 12.676 1.00 42.14 C ATOM 696 C HIS A 317 17.024 15.262 13.223 1.00 43.83 C ATOM 697 O HIS A 317 18.168 15.414 12.794 1.00 40.80 O ATOM 698 CB HIS A 317 15.712 17.381 13.565 1.00 44.37 C ATOM 699 CG HIS A 317 16.943 18.221 13.622 1.00 47.30 C ATOM 700 ND1 HIS A 317 17.870 18.064 14.631 1.00 49.60 N ATOM 701 CD2 HIS A 317 17.409 19.126 12.733 1.00 48.39 C ATOM 702 CE1 HIS A 317 18.845 18.912 14.354 1.00 48.41 C ATOM 703 NE2 HIS A 317 18.611 19.571 13.220 1.00 47.98 N ATOM 704 H HIS A 317 13.766 15.865 12.828 1.00 0.00 H ATOM 705 N GLU A 318 16.709 14.342 14.155 1.00 41.84 N ATOM 706 CA GLU A 318 17.726 13.441 14.708 1.00 41.26 C ATOM 707 C GLU A 318 18.164 12.384 13.692 1.00 42.56 C ATOM 708 O GLU A 318 19.308 11.939 13.733 1.00 40.99 O ATOM 709 CB GLU A 318 17.290 12.816 16.047 1.00 44.73 C ATOM 710 CG GLU A 318 17.333 13.784 17.223 1.00 56.54 C ATOM 711 CD GLU A 318 18.643 14.533 17.407 1.00 73.50 C ATOM 712 OE1 GLU A 318 19.674 13.877 17.682 1.00 55.13 O ATOM 713 OE2 GLU A 318 18.645 15.772 17.221 1.00 66.73 O ATOM 714 H GLU A 318 15.727 14.269 14.489 1.00 0.00 H ATOM 715 N ASP A 319 17.275 12.017 12.760 1.00 39.07 N ATOM 716 CA ASP A 319 17.611 11.058 11.699 1.00 37.72 C ATOM 717 C ASP A 319 18.540 11.714 10.677 1.00 39.13 C ATOM 718 O ASP A 319 19.410 11.044 10.133 1.00 38.11 O ATOM 719 CB ASP A 319 16.346 10.478 11.043 1.00 39.93 C ATOM 720 CG ASP A 319 15.578 9.487 11.913 1.00 53.30 C ATOM 721 OD1 ASP A 319 16.048 9.183 13.035 1.00 56.45 O ATOM 722 OD2 ASP A 319 14.504 9.028 11.479 1.00 56.51 O ATOM 723 H ASP A 319 16.318 12.423 12.788 1.00 0.00 H ATOM 724 N GLN A 320 18.402 13.039 10.475 1.00 35.49 N ATOM 725 CA GLN A 320 19.263 13.814 9.578 1.00 33.45 C ATOM 726 C GLN A 320 20.708 13.783 10.083 1.00 36.84 C ATOM 727 O GLN A 320 21.626 13.533 9.302 1.00 35.05 O ATOM 728 CB GLN A 320 18.765 15.257 9.464 1.00 34.93 C ATOM 729 CG GLN A 320 17.478 15.393 8.679 1.00 37.17 C ATOM 730 CD GLN A 320 17.031 16.822 8.599 1.00 49.87 C ATOM 731 OE1 GLN A 320 17.813 17.740 8.327 1.00 43.86 O ATOM 732 NE2 GLN A 320 15.749 17.031 8.783 1.00 41.45 N ATOM 733 HE22 GLN A 320 15.120 16.235 9.011 1.00 0.00 H ATOM 734 HE21 GLN A 320 15.362 17.993 8.701 1.00 0.00 H ATOM 735 H GLN A 320 17.644 13.538 10.983 1.00 0.00 H ATOM 736 N ILE A 321 20.890 13.978 11.401 1.00 35.28 N ATOM 737 CA ILE A 321 22.184 13.942 12.106 1.00 35.47 C ATOM 738 C ILE A 321 22.809 12.556 11.956 1.00 37.41 C ATOM 739 O ILE A 321 23.966 12.461 11.573 1.00 35.86 O ATOM 740 CB ILE A 321 22.020 14.333 13.609 1.00 40.42 C ATOM 741 CG1 ILE A 321 21.470 15.778 13.777 1.00 42.41 C ATOM 742 CG2 ILE A 321 23.321 14.100 14.414 1.00 41.06 C ATOM 743 CD1 ILE A 321 22.441 16.978 13.352 1.00 50.29 C ATOM 744 H ILE A 321 20.043 14.171 11.973 1.00 0.00 H ATOM 745 N ALA A 322 22.043 11.498 12.299 1.00 34.24 N ATOM 746 CA ALA A 322 22.424 10.088 12.200 1.00 33.96 C ATOM 747 C ALA A 322 22.916 9.731 10.785 1.00 35.89 C ATOM 748 O ALA A 322 23.869 8.961 10.669 1.00 36.02 O ATOM 749 CB ALA A 322 21.235 9.210 12.556 1.00 36.04 C ATOM 750 H ALA A 322 21.093 11.704 12.668 1.00 0.00 H ATOM 751 N LEU A 323 22.262 10.271 9.725 1.00 30.32 N ATOM 752 CA LEU A 323 22.649 10.029 8.324 1.00 29.72 C ATOM 753 C LEU A 323 23.953 10.729 7.999 1.00 31.80 C ATOM 754 O LEU A 323 24.820 10.125 7.383 1.00 28.81 O ATOM 755 CB LEU A 323 21.567 10.473 7.326 1.00 29.31 C ATOM 756 CG LEU A 323 20.299 9.618 7.244 1.00 34.00 C ATOM 757 CD1 LEU A 323 19.357 10.182 6.226 1.00 33.73 C ATOM 758 CD2 LEU A 323 20.606 8.183 6.867 1.00 34.49 C ATOM 759 H LEU A 323 21.445 10.887 9.911 1.00 0.00 H ATOM 760 N LEU A 324 24.102 11.994 8.434 1.00 30.52 N ATOM 761 CA LEU A 324 25.323 12.755 8.199 1.00 31.00 C ATOM 762 C LEU A 324 26.490 12.117 8.925 1.00 36.16 C ATOM 763 O LEU A 324 27.549 11.919 8.327 1.00 34.53 O ATOM 764 CB LEU A 324 25.140 14.230 8.619 1.00 31.82 C ATOM 765 CG LEU A 324 24.392 15.098 7.605 1.00 36.92 C ATOM 766 CD1 LEU A 324 23.934 16.397 8.238 1.00 37.82 C ATOM 767 CD2 LEU A 324 25.259 15.403 6.405 1.00 38.75 C ATOM 768 H LEU A 324 23.321 12.443 8.954 1.00 0.00 H ATOM 769 N LYS A 325 26.270 11.727 10.196 1.00 34.99 N ATOM 770 CA LYS A 325 27.300 11.089 11.010 1.00 35.19 C ATOM 771 C LYS A 325 27.777 9.776 10.394 1.00 37.17 C ATOM 772 O LYS A 325 28.985 9.567 10.251 1.00 36.23 O ATOM 773 CB LYS A 325 26.809 10.883 12.451 1.00 39.64 C ATOM 774 CG LYS A 325 27.905 11.070 13.500 1.00 63.99 C ATOM 775 CD LYS A 325 28.782 9.826 13.688 1.00 76.87 C ATOM 776 CE LYS A 325 29.945 10.076 14.610 1.00 88.44 C ATOM 777 NZ LYS A 325 29.674 9.572 15.981 1.00 99.75 N ATOM 778 HZ1 LYS A 325 28.838 10.055 16.368 1.00 0.00 H ATOM 779 HZ2 LYS A 325 29.498 8.548 15.944 1.00 0.00 H ATOM 780 HZ3 LYS A 325 30.497 9.762 16.588 1.00 0.00 H ATOM 781 H LYS A 325 25.331 11.887 10.613 1.00 0.00 H ATOM 782 N GLY A 326 26.833 8.935 9.999 1.00 33.19 N ATOM 783 CA GLY A 326 27.120 7.630 9.414 1.00 33.31 C ATOM 784 C GLY A 326 27.692 7.608 8.006 1.00 35.94 C ATOM 785 O GLY A 326 28.226 6.579 7.595 1.00 35.89 O ATOM 786 H GLY A 326 25.839 9.219 10.111 1.00 0.00 H ATOM 787 N SER A 327 27.599 8.719 7.243 1.00 31.89 N ATOM 788 CA SER A 327 28.093 8.729 5.866 1.00 31.49 C ATOM 789 C SER A 327 29.362 9.534 5.641 1.00 36.48 C ATOM 790 O SER A 327 29.951 9.427 4.566 1.00 34.45 O ATOM 791 CB SER A 327 27.014 9.241 4.920 1.00 35.97 C ATOM 792 OG SER A 327 26.852 10.644 5.045 1.00 40.64 O ATOM 793 HG SER A 327 26.590 10.863 5.974 1.00 0.00 H ATOM 794 H SER A 327 27.170 9.579 7.640 1.00 0.00 H ATOM 795 N ALA A 328 29.746 10.377 6.623 1.00 34.42 N ATOM 796 CA ALA A 328 30.905 11.270 6.552 1.00 33.44 C ATOM 797 C ALA A 328 32.172 10.624 5.999 1.00 35.07 C ATOM 798 O ALA A 328 32.787 11.181 5.091 1.00 33.80 O ATOM 799 CB ALA A 328 31.177 11.891 7.915 1.00 34.48 C ATOM 800 H ALA A 328 29.177 10.394 7.494 1.00 0.00 H ATOM 801 N VAL A 329 32.547 9.446 6.521 1.00 31.14 N ATOM 802 CA VAL A 329 33.759 8.738 6.092 1.00 30.90 C ATOM 803 C VAL A 329 33.581 8.186 4.665 1.00 30.60 C ATOM 804 O VAL A 329 34.419 8.449 3.806 1.00 28.93 O ATOM 805 CB VAL A 329 34.189 7.652 7.125 1.00 36.31 C ATOM 806 CG1 VAL A 329 35.276 6.732 6.572 1.00 35.97 C ATOM 807 CG2 VAL A 329 34.644 8.291 8.435 1.00 36.70 C ATOM 808 H VAL A 329 31.954 9.017 7.260 1.00 0.00 H ATOM 809 N GLU A 330 32.505 7.435 4.418 1.00 25.18 N ATOM 810 CA GLU A 330 32.270 6.867 3.083 1.00 25.28 C ATOM 811 C GLU A 330 32.245 7.955 1.985 1.00 29.69 C ATOM 812 O GLU A 330 32.878 7.792 0.944 1.00 29.30 O ATOM 813 CB GLU A 330 30.975 6.070 3.072 1.00 26.10 C ATOM 814 CG GLU A 330 31.072 4.700 3.714 1.00 33.55 C ATOM 815 CD GLU A 330 29.714 4.033 3.800 1.00 50.19 C ATOM 816 OE1 GLU A 330 28.863 4.303 2.926 1.00 44.96 O ATOM 817 OE2 GLU A 330 29.482 3.272 4.761 1.00 47.31 O ATOM 818 H GLU A 330 31.823 7.249 5.181 1.00 0.00 H ATOM 819 N ALA A 331 31.542 9.067 2.236 1.00 26.91 N ATOM 820 CA ALA A 331 31.440 10.176 1.281 1.00 26.14 C ATOM 821 C ALA A 331 32.795 10.795 1.002 1.00 31.02 C ATOM 822 O ALA A 331 33.061 11.165 -0.142 1.00 31.65 O ATOM 823 CB ALA A 331 30.481 11.237 1.805 1.00 27.09 C ATOM 824 H ALA A 331 31.047 9.148 3.147 1.00 0.00 H ATOM 825 N MET A 332 33.654 10.922 2.043 1.00 28.20 N ATOM 826 CA MET A 332 34.998 11.482 1.885 1.00 28.44 C ATOM 827 C MET A 332 35.870 10.600 0.974 1.00 32.82 C ATOM 828 O MET A 332 36.566 11.128 0.103 1.00 32.47 O ATOM 829 CB MET A 332 35.658 11.714 3.253 1.00 31.04 C ATOM 830 CG MET A 332 37.065 12.225 3.147 1.00 35.35 C ATOM 831 SD MET A 332 37.958 12.308 4.696 1.00 41.34 S ATOM 832 CE MET A 332 38.025 10.565 5.132 1.00 38.65 C ATOM 833 H MET A 332 33.348 10.611 2.987 1.00 0.00 H ATOM 834 N PHE A 333 35.814 9.268 1.160 1.00 28.52 N ATOM 835 CA PHE A 333 36.571 8.342 0.309 1.00 28.88 C ATOM 836 C PHE A 333 36.047 8.348 -1.118 1.00 29.92 C ATOM 837 O PHE A 333 36.831 8.175 -2.049 1.00 30.25 O ATOM 838 CB PHE A 333 36.539 6.908 0.872 1.00 32.15 C ATOM 839 CG PHE A 333 37.555 6.677 1.961 1.00 36.12 C ATOM 840 CD1 PHE A 333 38.854 6.286 1.650 1.00 41.64 C ATOM 841 CD2 PHE A 333 37.224 6.872 3.296 1.00 39.39 C ATOM 842 CE1 PHE A 333 39.809 6.117 2.657 1.00 43.64 C ATOM 843 CE2 PHE A 333 38.175 6.682 4.305 1.00 43.71 C ATOM 844 CZ PHE A 333 39.460 6.308 3.980 1.00 42.73 C ATOM 845 H PHE A 333 35.221 8.886 1.924 1.00 0.00 H ATOM 846 N LEU A 334 34.728 8.518 -1.303 1.00 26.79 N ATOM 847 CA LEU A 334 34.162 8.555 -2.660 1.00 26.84 C ATOM 848 C LEU A 334 34.601 9.825 -3.405 1.00 29.15 C ATOM 849 O LEU A 334 34.934 9.764 -4.587 1.00 28.60 O ATOM 850 CB LEU A 334 32.636 8.416 -2.615 1.00 26.87 C ATOM 851 CG LEU A 334 31.902 8.188 -3.951 1.00 31.99 C ATOM 852 CD1 LEU A 334 32.517 7.026 -4.772 1.00 32.10 C ATOM 853 CD2 LEU A 334 30.430 7.920 -3.698 1.00 33.01 C ATOM 854 H LEU A 334 34.101 8.624 -0.480 1.00 0.00 H ATOM 855 N ARG A 335 34.620 10.967 -2.701 1.00 25.29 N ATOM 856 CA ARG A 335 35.062 12.244 -3.265 1.00 23.97 C ATOM 857 C ARG A 335 36.567 12.178 -3.564 1.00 28.38 C ATOM 858 O ARG A 335 36.992 12.673 -4.596 1.00 29.33 O ATOM 859 CB ARG A 335 34.716 13.408 -2.306 1.00 25.01 C ATOM 860 CG ARG A 335 35.251 14.801 -2.703 1.00 33.33 C ATOM 861 CD ARG A 335 34.731 15.318 -4.035 1.00 38.17 C ATOM 862 NE ARG A 335 35.316 16.627 -4.337 1.00 48.30 N ATOM 863 CZ ARG A 335 35.564 17.095 -5.558 1.00 62.50 C ATOM 864 NH1 ARG A 335 35.279 16.365 -6.629 1.00 45.87 N ATOM 865 NH2 ARG A 335 36.103 18.297 -5.716 1.00 53.57 N ATOM 866 HE ARG A 335 35.557 17.240 -3.532 1.00 0.00 H ATOM 867 HH12 ARG A 335 35.476 16.738 -7.580 1.00 0.00 H ATOM 868 HH11 ARG A 335 34.859 15.420 -6.518 1.00 0.00 H ATOM 869 HH22 ARG A 335 36.295 18.659 -6.672 1.00 0.00 H ATOM 870 HH21 ARG A 335 36.333 18.877 -4.884 1.00 0.00 H ATOM 871 H ARG A 335 34.307 10.944 -1.710 1.00 0.00 H ATOM 872 N SER A 336 37.352 11.548 -2.668 1.00 25.04 N ATOM 873 CA SER A 336 38.796 11.330 -2.833 1.00 25.23 C ATOM 874 C SER A 336 39.075 10.482 -4.064 1.00 31.46 C ATOM 875 O SER A 336 40.011 10.791 -4.804 1.00 33.03 O ATOM 876 CB SER A 336 39.381 10.661 -1.597 1.00 28.38 C ATOM 877 OG SER A 336 39.222 11.500 -0.464 1.00 34.76 O ATOM 878 HG SER A 336 38.259 11.672 -0.315 1.00 0.00 H ATOM 879 H SER A 336 36.905 11.191 -1.799 1.00 0.00 H ATOM 880 N ALA A 337 38.228 9.461 -4.332 1.00 28.21 N ATOM 881 CA ALA A 337 38.363 8.624 -5.536 1.00 29.74 C ATOM 882 C ALA A 337 38.153 9.480 -6.784 1.00 33.86 C ATOM 883 O ALA A 337 38.925 9.367 -7.740 1.00 33.01 O ATOM 884 CB ALA A 337 37.363 7.473 -5.505 1.00 30.47 C ATOM 885 H ALA A 337 37.456 9.261 -3.665 1.00 0.00 H ATOM 886 N GLU A 338 37.140 10.375 -6.748 1.00 30.52 N ATOM 887 CA GLU A 338 36.831 11.293 -7.848 1.00 30.44 C ATOM 888 C GLU A 338 38.017 12.255 -8.106 1.00 36.44 C ATOM 889 O GLU A 338 38.428 12.395 -9.250 1.00 36.51 O ATOM 890 CB GLU A 338 35.549 12.084 -7.542 1.00 30.82 C ATOM 891 CG GLU A 338 35.032 12.862 -8.739 1.00 38.66 C ATOM 892 CD GLU A 338 33.895 13.826 -8.462 1.00 52.77 C ATOM 893 OE1 GLU A 338 33.677 14.175 -7.281 1.00 44.88 O ATOM 894 OE2 GLU A 338 33.228 14.245 -9.435 1.00 43.10 O ATOM 895 H GLU A 338 36.548 10.414 -5.894 1.00 0.00 H ATOM 896 N ILE A 339 38.559 12.898 -7.045 1.00 34.73 N ATOM 897 CA ILE A 339 39.725 13.800 -7.126 1.00 35.51 C ATOM 898 C ILE A 339 40.943 13.072 -7.755 1.00 39.92 C ATOM 899 O ILE A 339 41.595 13.641 -8.631 1.00 39.93 O ATOM 900 CB ILE A 339 40.059 14.420 -5.741 1.00 38.79 C ATOM 901 CG1 ILE A 339 38.989 15.438 -5.291 1.00 38.17 C ATOM 902 CG2 ILE A 339 41.474 15.048 -5.705 1.00 42.42 C ATOM 903 CD1 ILE A 339 39.027 15.755 -3.775 1.00 40.38 C ATOM 904 H ILE A 339 38.126 12.747 -6.112 1.00 0.00 H ATOM 905 N PHE A 340 41.220 11.817 -7.328 1.00 34.97 N ATOM 906 CA PHE A 340 42.334 11.016 -7.840 1.00 35.23 C ATOM 907 C PHE A 340 42.213 10.711 -9.328 1.00 42.75 C ATOM 908 O PHE A 340 43.208 10.772 -10.046 1.00 42.53 O ATOM 909 CB PHE A 340 42.476 9.697 -7.049 1.00 36.23 C ATOM 910 CG PHE A 340 43.607 8.796 -7.504 1.00 36.66 C ATOM 911 CD1 PHE A 340 44.904 8.988 -7.033 1.00 37.94 C ATOM 912 CD2 PHE A 340 43.380 7.773 -8.416 1.00 38.53 C ATOM 913 CE1 PHE A 340 45.952 8.171 -7.468 1.00 39.60 C ATOM 914 CE2 PHE A 340 44.429 6.941 -8.839 1.00 41.67 C ATOM 915 CZ PHE A 340 45.707 7.152 -8.368 1.00 39.47 C ATOM 916 H PHE A 340 40.609 11.400 -6.597 1.00 0.00 H ATOM 917 N ASN A 341 41.010 10.329 -9.770 1.00 42.18 N ATOM 918 CA ASN A 341 40.729 9.939 -11.146 1.00 43.38 C ATOM 919 C ASN A 341 40.451 11.123 -12.074 1.00 50.21 C ATOM 920 O ASN A 341 40.409 10.941 -13.289 1.00 50.64 O ATOM 921 CB ASN A 341 39.623 8.900 -11.172 1.00 41.32 C ATOM 922 CG ASN A 341 40.114 7.609 -10.581 1.00 53.35 C ATOM 923 OD1 ASN A 341 41.044 6.982 -11.093 1.00 45.05 O ATOM 924 ND2 ASN A 341 39.566 7.223 -9.450 1.00 43.33 N ATOM 925 HD22 ASN A 341 38.783 7.769 -9.039 1.00 0.00 H ATOM 926 HD21 ASN A 341 39.916 6.371 -8.967 1.00 0.00 H ATOM 927 H ASN A 341 40.225 10.309 -9.088 1.00 0.00 H ATOM 928 N LYS A 342 40.313 12.331 -11.510 1.00 49.01 N ATOM 929 CA LYS A 342 40.142 13.574 -12.272 1.00 50.43 C ATOM 930 C LYS A 342 41.420 14.413 -12.128 1.00 58.52 C ATOM 931 O LYS A 342 41.560 15.456 -12.773 1.00 59.74 O ATOM 932 CB LYS A 342 38.880 14.340 -11.843 1.00 52.37 C ATOM 933 CG LYS A 342 37.606 13.637 -12.312 1.00 66.02 C ATOM 934 CD LYS A 342 36.326 14.371 -11.972 1.00 75.93 C ATOM 935 CE LYS A 342 35.152 13.566 -12.486 1.00 88.49 C ATOM 936 NZ LYS A 342 33.845 14.188 -12.160 1.00 92.29 N ATOM 937 HZ1 LYS A 342 33.749 14.269 -11.128 1.00 0.00 H ATOM 938 HZ2 LYS A 342 33.796 15.134 -12.589 1.00 0.00 H ATOM 939 HZ3 LYS A 342 33.077 13.595 -12.535 1.00 0.00 H ATOM 940 H LYS A 342 40.328 12.391 -10.472 1.00 0.00 H ATOM 941 N LYS A 343 42.372 13.900 -11.311 1.00 56.36 N ATOM 942 CA LYS A 343 43.697 14.452 -11.011 1.00 57.52 C ATOM 943 C LYS A 343 43.641 15.912 -10.537 1.00 62.99 C ATOM 944 O LYS A 343 44.314 16.775 -11.103 1.00 63.93 O ATOM 945 CB LYS A 343 44.672 14.260 -12.193 1.00 61.76 C ATOM 946 CG LYS A 343 45.061 12.814 -12.467 1.00 77.57 C ATOM 947 CD LYS A 343 45.963 12.721 -13.691 1.00 91.24 C ATOM 948 CE LYS A 343 46.311 11.297 -14.047 1.00105.74 C ATOM 949 NZ LYS A 343 47.021 11.214 -15.352 1.00118.56 N ATOM 950 HZ1 LYS A 343 46.412 11.600 -16.102 1.00 0.00 H ATOM 951 HZ2 LYS A 343 47.902 11.764 -15.301 1.00 0.00 H ATOM 952 HZ3 LYS A 343 47.243 10.220 -15.562 1.00 0.00 H ATOM 953 H LYS A 343 42.133 13.005 -10.839 1.00 0.00 H ATOM 954 N LEU A 344 42.841 16.176 -9.489 1.00 59.29 N ATOM 955 CA LEU A 344 42.699 17.503 -8.877 1.00 59.38 C ATOM 956 C LEU A 344 43.716 17.660 -7.712 1.00 64.62 C ATOM 957 O LEU A 344 44.131 16.634 -7.166 1.00 63.07 O ATOM 958 CB LEU A 344 41.255 17.733 -8.388 1.00 58.70 C ATOM 959 CG LEU A 344 40.137 17.638 -9.436 1.00 63.76 C ATOM 960 CD1 LEU A 344 38.779 17.596 -8.769 1.00 63.08 C ATOM 961 CD2 LEU A 344 40.200 18.794 -10.436 1.00 67.25 C ATOM 962 H LEU A 344 42.289 15.392 -9.087 1.00 0.00 H ATOM 963 N PRO A 345 44.185 18.881 -7.321 1.00 63.57 N ATOM 964 CA PRO A 345 43.847 20.236 -7.825 1.00 64.13 C ATOM 965 C PRO A 345 44.370 20.594 -9.224 1.00 69.89 C ATOM 966 O PRO A 345 44.107 21.709 -9.692 1.00 70.76 O ATOM 967 CB PRO A 345 44.426 21.179 -6.750 1.00 66.03 C ATOM 968 CG PRO A 345 44.919 20.307 -5.621 1.00 69.68 C ATOM 969 CD PRO A 345 45.161 18.957 -6.217 1.00 65.16 C ATOM 970 N SER A 346 45.085 19.658 -9.897 1.00 66.79 N ATOM 971 CA SER A 346 45.641 19.793 -11.256 1.00 97.93 C ATOM 972 C SER A 346 46.603 20.968 -11.422 1.00111.53 C ATOM 973 O SER A 346 47.468 20.929 -12.295 1.00 69.25 O ATOM 974 CB SER A 346 44.530 19.847 -12.307 1.00101.77 C ATOM 975 OG SER A 346 45.040 19.736 -13.625 1.00112.15 O ATOM 976 HG SER A 346 45.516 18.873 -13.722 1.00 0.00 H ATOM 977 H SER A 346 45.258 18.757 -9.407 1.00 0.00 H TER 978 SER A 346 ATOM 979 N HIS A 348 49.220 19.530 -9.714 1.00 63.29 N ATOM 980 CA HIS A 348 49.037 19.592 -8.260 1.00 61.48 C ATOM 981 C HIS A 348 48.665 18.242 -7.636 1.00 60.49 C ATOM 982 O HIS A 348 48.889 18.049 -6.438 1.00 59.66 O ATOM 983 CB HIS A 348 47.966 20.627 -7.904 1.00 62.17 C ATOM 984 CG HIS A 348 48.500 21.965 -7.503 1.00 66.44 C ATOM 985 ND1 HIS A 348 48.354 22.439 -6.212 1.00 67.52 N ATOM 986 CD2 HIS A 348 49.119 22.909 -8.250 1.00 69.82 C ATOM 987 CE1 HIS A 348 48.901 23.643 -6.210 1.00 68.11 C ATOM 988 NE2 HIS A 348 49.372 23.971 -7.413 1.00 69.74 N ATOM 989 HN3 HIS A 348 48.336 19.212 -10.160 1.00 0.00 H ATOM 990 HN2 HIS A 348 49.984 18.860 -9.938 1.00 0.00 H ATOM 991 HN1 HIS A 348 49.470 20.474 -10.071 1.00 0.00 H ATOM 992 N SER A 349 48.082 17.324 -8.436 1.00 53.77 N ATOM 993 CA SER A 349 47.636 15.997 -7.993 1.00 51.16 C ATOM 994 C SER A 349 48.765 15.089 -7.521 1.00 50.46 C ATOM 995 O SER A 349 48.597 14.392 -6.527 1.00 48.83 O ATOM 996 CB SER A 349 46.814 15.310 -9.078 1.00 54.78 C ATOM 997 OG SER A 349 47.562 15.107 -10.264 1.00 64.88 O ATOM 998 HG SER A 349 46.993 14.660 -10.939 1.00 0.00 H ATOM 999 H SER A 349 47.939 17.574 -9.435 1.00 0.00 H ATOM 1000 N ASP A 350 49.907 15.096 -8.225 1.00 47.39 N ATOM 1001 CA ASP A 350 51.069 14.287 -7.867 1.00 47.12 C ATOM 1002 C ASP A 350 51.695 14.778 -6.574 1.00 46.68 C ATOM 1003 O ASP A 350 52.123 13.959 -5.767 1.00 45.25 O ATOM 1004 CB ASP A 350 52.087 14.219 -9.016 1.00 51.29 C ATOM 1005 CG ASP A 350 51.556 13.509 -10.251 1.00 71.33 C ATOM 1006 OD1 ASP A 350 51.564 14.127 -11.341 1.00 75.28 O ATOM 1007 OD2 ASP A 350 51.125 12.334 -10.126 1.00 77.37 O ATOM 1008 H ASP A 350 49.968 15.706 -9.065 1.00 0.00 H ATOM 1009 N LEU A 351 51.695 16.104 -6.347 1.00 42.24 N ATOM 1010 CA LEU A 351 52.201 16.679 -5.100 1.00 41.84 C ATOM 1011 C LEU A 351 51.297 16.286 -3.938 1.00 40.93 C ATOM 1012 O LEU A 351 51.802 15.857 -2.902 1.00 39.20 O ATOM 1013 CB LEU A 351 52.310 18.201 -5.185 1.00 43.02 C ATOM 1014 CG LEU A 351 53.716 18.788 -5.180 1.00 50.52 C ATOM 1015 CD1 LEU A 351 53.667 20.275 -5.479 1.00 51.63 C ATOM 1016 CD2 LEU A 351 54.424 18.552 -3.839 1.00 52.59 C ATOM 1017 H LEU A 351 51.324 16.741 -7.081 1.00 0.00 H ATOM 1018 N LEU A 352 49.962 16.397 -4.120 1.00 35.99 N ATOM 1019 CA LEU A 352 48.986 16.016 -3.094 1.00 34.87 C ATOM 1020 C LEU A 352 49.126 14.534 -2.732 1.00 36.61 C ATOM 1021 O LEU A 352 49.185 14.215 -1.547 1.00 35.99 O ATOM 1022 CB LEU A 352 47.547 16.387 -3.508 1.00 34.97 C ATOM 1023 CG LEU A 352 46.385 15.989 -2.572 1.00 39.83 C ATOM 1024 CD1 LEU A 352 46.567 16.525 -1.136 1.00 38.94 C ATOM 1025 CD2 LEU A 352 45.057 16.466 -3.140 1.00 44.21 C ATOM 1026 H LEU A 352 49.612 16.768 -5.026 1.00 0.00 H ATOM 1027 N GLU A 353 49.262 13.648 -3.736 1.00 33.34 N ATOM 1028 CA GLU A 353 49.470 12.220 -3.504 1.00 33.27 C ATOM 1029 C GLU A 353 50.750 11.984 -2.699 1.00 37.56 C ATOM 1030 O GLU A 353 50.746 11.163 -1.790 1.00 36.83 O ATOM 1031 CB GLU A 353 49.505 11.429 -4.821 1.00 35.03 C ATOM 1032 CG GLU A 353 49.856 9.964 -4.589 1.00 43.69 C ATOM 1033 CD GLU A 353 49.675 8.986 -5.730 1.00 55.21 C ATOM 1034 OE1 GLU A 353 49.147 9.387 -6.790 1.00 47.63 O ATOM 1035 OE2 GLU A 353 50.023 7.798 -5.540 1.00 45.97 O ATOM 1036 H GLU A 353 49.217 13.993 -4.716 1.00 0.00 H ATOM 1037 N ALA A 354 51.842 12.710 -3.041 1.00 34.79 N ATOM 1038 CA ALA A 354 53.120 12.631 -2.341 1.00 34.66 C ATOM 1039 C ALA A 354 52.946 13.052 -0.884 1.00 36.24 C ATOM 1040 O ALA A 354 53.558 12.443 -0.010 1.00 35.28 O ATOM 1041 CB ALA A 354 54.146 13.527 -3.024 1.00 36.48 C ATOM 1042 H ALA A 354 51.765 13.361 -3.849 1.00 0.00 H ATOM 1043 N ARG A 355 52.105 14.081 -0.610 1.00 32.43 N ATOM 1044 CA ARG A 355 51.872 14.528 0.769 1.00 32.50 C ATOM 1045 C ARG A 355 51.116 13.478 1.587 1.00 38.08 C ATOM 1046 O ARG A 355 51.541 13.181 2.701 1.00 37.62 O ATOM 1047 CB ARG A 355 51.203 15.915 0.850 1.00 31.02 C ATOM 1048 CG ARG A 355 52.081 17.028 0.267 1.00 36.12 C ATOM 1049 CD ARG A 355 51.520 18.386 0.609 1.00 35.52 C ATOM 1050 NE ARG A 355 52.303 19.483 0.033 1.00 35.36 N ATOM 1051 CZ ARG A 355 53.312 20.093 0.640 1.00 42.45 C ATOM 1052 NH1 ARG A 355 53.705 19.703 1.845 1.00 29.09 N ATOM 1053 NH2 ARG A 355 53.941 21.094 0.046 1.00 29.32 N ATOM 1054 HE ARG A 355 52.049 19.807 -0.922 1.00 0.00 H ATOM 1055 HH12 ARG A 355 54.497 20.186 2.315 1.00 0.00 H ATOM 1056 HH11 ARG A 355 53.221 18.914 2.320 1.00 0.00 H ATOM 1057 HH22 ARG A 355 54.732 21.569 0.526 1.00 0.00 H ATOM 1058 HH21 ARG A 355 53.645 21.406 -0.901 1.00 0.00 H ATOM 1059 H ARG A 355 51.616 14.562 -1.392 1.00 0.00 H ATOM 1060 N ILE A 356 50.041 12.876 1.018 1.00 36.37 N ATOM 1061 CA ILE A 356 49.242 11.821 1.685 1.00 36.85 C ATOM 1062 C ILE A 356 50.103 10.611 2.055 1.00 41.18 C ATOM 1063 O ILE A 356 49.952 10.064 3.147 1.00 41.60 O ATOM 1064 CB ILE A 356 47.990 11.439 0.843 1.00 40.45 C ATOM 1065 CG1 ILE A 356 47.061 12.639 0.733 1.00 41.38 C ATOM 1066 CG2 ILE A 356 47.227 10.253 1.449 1.00 41.71 C ATOM 1067 CD1 ILE A 356 46.375 12.752 -0.469 1.00 55.61 C ATOM 1068 H ILE A 356 49.762 13.171 0.061 1.00 0.00 H ATOM 1069 N ARG A 357 51.042 10.231 1.166 1.00 38.22 N ATOM 1070 CA ARG A 357 51.958 9.112 1.387 1.00 37.95 C ATOM 1071 C ARG A 357 53.075 9.411 2.387 1.00 41.92 C ATOM 1072 O ARG A 357 53.775 8.493 2.810 1.00 42.10 O ATOM 1073 CB ARG A 357 52.536 8.606 0.057 1.00 36.47 C ATOM 1074 CG ARG A 357 51.476 8.016 -0.851 1.00 41.21 C ATOM 1075 CD ARG A 357 52.124 7.382 -2.047 1.00 43.25 C ATOM 1076 NE ARG A 357 51.140 6.852 -2.984 1.00 46.90 N ATOM 1077 CZ ARG A 357 50.732 5.590 -2.990 1.00 56.35 C ATOM 1078 NH1 ARG A 357 51.200 4.728 -2.097 1.00 40.99 N ATOM 1079 NH2 ARG A 357 49.851 5.178 -3.890 1.00 41.94 N ATOM 1080 HE ARG A 357 50.735 7.501 -3.688 1.00 0.00 H ATOM 1081 HH12 ARG A 357 50.875 3.740 -2.108 1.00 0.00 H ATOM 1082 HH11 ARG A 357 51.892 5.040 -1.386 1.00 0.00 H ATOM 1083 HH22 ARG A 357 49.534 4.188 -3.891 1.00 0.00 H ATOM 1084 HH21 ARG A 357 49.477 5.845 -4.595 1.00 0.00 H ATOM 1085 H ARG A 357 51.120 10.762 0.275 1.00 0.00 H ATOM 1086 N ASN A 358 53.246 10.683 2.765 1.00 37.44 N ATOM 1087 CA ASN A 358 54.273 11.102 3.716 1.00 37.04 C ATOM 1088 C ASN A 358 53.659 12.013 4.796 1.00 39.45 C ATOM 1089 O ASN A 358 54.201 13.068 5.109 1.00 39.15 O ATOM 1090 CB ASN A 358 55.423 11.784 2.973 1.00 39.32 C ATOM 1091 CG ASN A 358 56.117 10.860 2.009 1.00 54.18 C ATOM 1092 OD1 ASN A 358 57.039 10.134 2.379 1.00 51.99 O ATOM 1093 ND2 ASN A 358 55.614 10.788 0.781 1.00 39.46 N ATOM 1094 HD22 ASN A 358 54.834 11.417 0.501 1.00 0.00 H ATOM 1095 HD21 ASN A 358 56.000 10.103 0.100 1.00 0.00 H ATOM 1096 H ASN A 358 52.618 11.408 2.363 1.00 0.00 H ATOM 1097 N SER A 359 52.527 11.581 5.365 1.00 35.75 N ATOM 1098 CA SER A 359 51.778 12.310 6.392 1.00 35.43 C ATOM 1099 C SER A 359 51.786 11.592 7.756 1.00 41.27 C ATOM 1100 O SER A 359 51.136 12.040 8.703 1.00 41.59 O ATOM 1101 CB SER A 359 50.347 12.538 5.919 1.00 38.31 C ATOM 1102 OG SER A 359 49.720 11.301 5.621 1.00 47.57 O ATOM 1103 HG SER A 359 50.226 10.840 4.906 1.00 0.00 H ATOM 1104 H SER A 359 52.152 10.662 5.056 1.00 0.00 H ATOM 1105 N GLY A 360 52.537 10.503 7.849 1.00 38.48 N ATOM 1106 CA GLY A 360 52.655 9.730 9.073 1.00 38.79 C ATOM 1107 C GLY A 360 51.617 8.637 9.202 1.00 43.15 C ATOM 1108 O GLY A 360 51.608 7.921 10.203 1.00 43.22 O ATOM 1109 H GLY A 360 53.064 10.189 7.009 1.00 0.00 H ATOM 1110 N ILE A 361 50.730 8.504 8.199 1.00 39.16 N ATOM 1111 CA ILE A 361 49.712 7.457 8.187 1.00 39.35 C ATOM 1112 C ILE A 361 50.338 6.155 7.679 1.00 45.29 C ATOM 1113 O ILE A 361 51.026 6.169 6.661 1.00 44.69 O ATOM 1114 CB ILE A 361 48.457 7.851 7.377 1.00 40.92 C ATOM 1115 CG1 ILE A 361 47.844 9.168 7.894 1.00 39.83 C ATOM 1116 CG2 ILE A 361 47.424 6.704 7.360 1.00 41.76 C ATOM 1117 CD1 ILE A 361 46.844 9.776 6.953 1.00 42.66 C ATOM 1118 H ILE A 361 50.771 9.172 7.403 1.00 0.00 H ATOM 1119 N SER A 362 50.076 5.035 8.387 1.00 43.36 N ATOM 1120 CA SER A 362 50.578 3.698 8.062 1.00 44.87 C ATOM 1121 C SER A 362 50.112 3.209 6.697 1.00 48.58 C ATOM 1122 O SER A 362 49.033 3.595 6.244 1.00 46.75 O ATOM 1123 CB SER A 362 50.164 2.700 9.142 1.00 49.81 C ATOM 1124 OG SER A 362 50.421 1.363 8.742 1.00 60.77 O ATOM 1125 HG SER A 362 51.389 1.252 8.567 1.00 0.00 H ATOM 1126 H SER A 362 49.471 5.129 9.228 1.00 0.00 H ATOM 1127 N ASP A 363 50.918 2.332 6.057 1.00 46.99 N ATOM 1128 CA ASP A 363 50.603 1.736 4.755 1.00 47.70 C ATOM 1129 C ASP A 363 49.411 0.793 4.831 1.00 52.00 C ATOM 1130 O ASP A 363 48.766 0.549 3.812 1.00 51.67 O ATOM 1131 CB ASP A 363 51.825 1.046 4.128 1.00 51.39 C ATOM 1132 CG ASP A 363 52.864 1.998 3.562 1.00 66.25 C ATOM 1133 OD1 ASP A 363 52.553 3.203 3.409 1.00 66.60 O ATOM 1134 OD2 ASP A 363 53.977 1.535 3.238 1.00 76.44 O ATOM 1135 H ASP A 363 51.813 2.065 6.515 1.00 0.00 H ATOM 1136 N GLU A 364 49.075 0.322 6.050 1.00 48.52 N ATOM 1137 CA GLU A 364 47.922 -0.542 6.322 1.00 48.93 C ATOM 1138 C GLU A 364 46.628 0.176 5.904 1.00 50.45 C ATOM 1139 O GLU A 364 45.672 -0.474 5.478 1.00 50.18 O ATOM 1140 CB GLU A 364 47.869 -0.885 7.818 1.00 51.24 C ATOM 1141 CG GLU A 364 46.956 -2.052 8.151 1.00 64.13 C ATOM 1142 CD GLU A 364 46.755 -2.319 9.630 1.00 84.44 C ATOM 1143 OE1 GLU A 364 47.759 -2.318 10.379 1.00 75.45 O ATOM 1144 OE2 GLU A 364 45.595 -2.570 10.032 1.00 77.97 O ATOM 1145 H GLU A 364 49.677 0.591 6.854 1.00 0.00 H ATOM 1146 N TYR A 365 46.618 1.516 6.011 1.00 44.59 N ATOM 1147 CA TYR A 365 45.465 2.324 5.635 1.00 42.97 C ATOM 1148 C TYR A 365 45.636 3.015 4.287 1.00 44.22 C ATOM 1149 O TYR A 365 44.650 3.130 3.557 1.00 42.76 O ATOM 1150 CB TYR A 365 45.107 3.308 6.752 1.00 43.49 C ATOM 1151 CG TYR A 365 44.929 2.619 8.090 1.00 46.26 C ATOM 1152 CD1 TYR A 365 45.877 2.758 9.098 1.00 48.92 C ATOM 1153 CD2 TYR A 365 43.839 1.787 8.330 1.00 47.70 C ATOM 1154 CE1 TYR A 365 45.722 2.122 10.331 1.00 50.72 C ATOM 1155 CE2 TYR A 365 43.686 1.126 9.550 1.00 49.96 C ATOM 1156 CZ TYR A 365 44.620 1.314 10.555 1.00 55.71 C ATOM 1157 OH TYR A 365 44.456 0.683 11.760 1.00 57.86 O ATOM 1158 HH TYR A 365 44.445 -0.297 11.619 1.00 0.00 H ATOM 1159 H TYR A 365 47.466 1.995 6.376 1.00 0.00 H ATOM 1160 N ILE A 366 46.877 3.427 3.935 1.00 39.85 N ATOM 1161 CA ILE A 366 47.182 4.111 2.665 1.00 39.09 C ATOM 1162 C ILE A 366 47.034 3.169 1.454 1.00 41.88 C ATOM 1163 O ILE A 366 46.483 3.588 0.440 1.00 39.47 O ATOM 1164 CB ILE A 366 48.568 4.854 2.682 1.00 42.49 C ATOM 1165 CG1 ILE A 366 48.671 5.920 3.807 1.00 41.93 C ATOM 1166 CG2 ILE A 366 48.937 5.464 1.314 1.00 44.34 C ATOM 1167 CD1 ILE A 366 47.780 7.225 3.658 1.00 46.18 C ATOM 1168 H ILE A 366 47.659 3.251 4.598 1.00 0.00 H ATOM 1169 N THR A 367 47.534 1.917 1.546 1.00 40.86 N ATOM 1170 CA THR A 367 47.485 0.958 0.435 1.00 41.32 C ATOM 1171 C THR A 367 46.020 0.613 0.011 1.00 44.89 C ATOM 1172 O THR A 367 45.724 0.851 -1.158 1.00 43.24 O ATOM 1173 CB THR A 367 48.362 -0.260 0.707 1.00 52.28 C ATOM 1174 OG1 THR A 367 49.688 0.213 0.962 1.00 51.88 O ATOM 1175 CG2 THR A 367 48.394 -1.238 -0.466 1.00 53.84 C ATOM 1176 HG1 THR A 367 49.677 0.815 1.748 1.00 0.00 H ATOM 1177 H THR A 367 47.972 1.620 2.441 1.00 0.00 H ATOM 1178 N PRO A 368 45.083 0.108 0.863 1.00 42.40 N ATOM 1179 CA PRO A 368 43.710 -0.129 0.368 1.00 42.09 C ATOM 1180 C PRO A 368 43.018 1.136 -0.159 1.00 44.17 C ATOM 1181 O PRO A 368 42.116 1.029 -0.975 1.00 43.19 O ATOM 1182 CB PRO A 368 42.980 -0.678 1.593 1.00 44.36 C ATOM 1183 CG PRO A 368 43.758 -0.183 2.751 1.00 48.91 C ATOM 1184 CD PRO A 368 45.187 -0.256 2.289 1.00 44.85 C ATOM 1185 N MET A 369 43.458 2.320 0.305 1.00 40.63 N ATOM 1186 CA MET A 369 42.962 3.638 -0.087 1.00 39.85 C ATOM 1187 C MET A 369 43.204 3.839 -1.607 1.00 40.36 C ATOM 1188 O MET A 369 42.239 3.958 -2.357 1.00 38.70 O ATOM 1189 CB MET A 369 43.697 4.694 0.753 1.00 42.62 C ATOM 1190 CG MET A 369 43.037 6.026 0.836 1.00 46.99 C ATOM 1191 SD MET A 369 44.058 7.218 1.765 1.00 52.12 S ATOM 1192 CE MET A 369 43.992 6.504 3.405 1.00 48.94 C ATOM 1193 H MET A 369 44.223 2.295 1.009 1.00 0.00 H ATOM 1194 N PHE A 370 44.475 3.785 -2.065 1.00 36.40 N ATOM 1195 CA PHE A 370 44.819 3.949 -3.491 1.00 35.65 C ATOM 1196 C PHE A 370 44.337 2.791 -4.352 1.00 39.49 C ATOM 1197 O PHE A 370 43.980 3.012 -5.507 1.00 37.83 O ATOM 1198 CB PHE A 370 46.317 4.239 -3.695 1.00 37.25 C ATOM 1199 CG PHE A 370 46.631 5.656 -3.287 1.00 36.89 C ATOM 1200 CD1 PHE A 370 47.019 5.952 -1.983 1.00 38.09 C ATOM 1201 CD2 PHE A 370 46.448 6.710 -4.176 1.00 37.56 C ATOM 1202 CE1 PHE A 370 47.251 7.272 -1.589 1.00 37.35 C ATOM 1203 CE2 PHE A 370 46.668 8.031 -3.774 1.00 38.92 C ATOM 1204 CZ PHE A 370 47.072 8.301 -2.487 1.00 36.19 C ATOM 1205 H PHE A 370 45.243 3.621 -1.383 1.00 0.00 H ATOM 1206 N SER A 371 44.240 1.581 -3.767 1.00 38.30 N ATOM 1207 CA SER A 371 43.710 0.401 -4.458 1.00 39.97 C ATOM 1208 C SER A 371 42.228 0.668 -4.795 1.00 42.47 C ATOM 1209 O SER A 371 41.777 0.370 -5.903 1.00 42.85 O ATOM 1210 CB SER A 371 43.847 -0.837 -3.573 1.00 46.00 C ATOM 1211 OG SER A 371 43.189 -1.949 -4.157 1.00 59.48 O ATOM 1212 HG SER A 371 43.291 -2.738 -3.568 1.00 0.00 H ATOM 1213 H SER A 371 44.555 1.479 -2.781 1.00 0.00 H ATOM 1214 N PHE A 372 41.500 1.303 -3.869 1.00 36.72 N ATOM 1215 CA PHE A 372 40.102 1.651 -4.101 1.00 35.03 C ATOM 1216 C PHE A 372 39.952 2.732 -5.186 1.00 37.91 C ATOM 1217 O PHE A 372 39.051 2.628 -6.019 1.00 38.48 O ATOM 1218 CB PHE A 372 39.427 2.079 -2.791 1.00 35.83 C ATOM 1219 CG PHE A 372 38.037 2.649 -2.959 1.00 35.48 C ATOM 1220 CD1 PHE A 372 36.995 1.859 -3.433 1.00 38.05 C ATOM 1221 CD2 PHE A 372 37.780 3.987 -2.686 1.00 35.27 C ATOM 1222 CE1 PHE A 372 35.713 2.393 -3.605 1.00 37.43 C ATOM 1223 CE2 PHE A 372 36.503 4.520 -2.871 1.00 36.68 C ATOM 1224 CZ PHE A 372 35.477 3.713 -3.315 1.00 34.89 C ATOM 1225 H PHE A 372 41.941 1.555 -2.962 1.00 0.00 H ATOM 1226 N TYR A 373 40.841 3.751 -5.191 1.00 32.34 N ATOM 1227 CA TYR A 373 40.805 4.831 -6.177 1.00 31.12 C ATOM 1228 C TYR A 373 41.045 4.281 -7.579 1.00 37.58 C ATOM 1229 O TYR A 373 40.384 4.712 -8.524 1.00 35.77 O ATOM 1230 CB TYR A 373 41.851 5.911 -5.867 1.00 31.08 C ATOM 1231 CG TYR A 373 41.744 6.586 -4.515 1.00 30.61 C ATOM 1232 CD1 TYR A 373 40.562 6.538 -3.776 1.00 31.38 C ATOM 1233 CD2 TYR A 373 42.823 7.269 -3.973 1.00 31.09 C ATOM 1234 CE1 TYR A 373 40.468 7.145 -2.524 1.00 32.20 C ATOM 1235 CE2 TYR A 373 42.748 7.861 -2.715 1.00 31.55 C ATOM 1236 CZ TYR A 373 41.568 7.798 -1.994 1.00 38.93 C ATOM 1237 OH TYR A 373 41.508 8.394 -0.758 1.00 39.65 O ATOM 1238 HH TYR A 373 41.691 9.363 -0.851 1.00 0.00 H ATOM 1239 H TYR A 373 41.583 3.768 -4.462 1.00 0.00 H ATOM 1240 N LYS A 374 41.993 3.330 -7.704 1.00 37.92 N ATOM 1241 CA LYS A 374 42.324 2.650 -8.958 1.00 39.68 C ATOM 1242 C LYS A 374 41.129 1.811 -9.409 1.00 44.46 C ATOM 1243 O LYS A 374 40.797 1.821 -10.586 1.00 44.69 O ATOM 1244 CB LYS A 374 43.577 1.761 -8.792 1.00 43.40 C ATOM 1245 CG LYS A 374 44.899 2.529 -8.694 1.00 62.94 C ATOM 1246 CD LYS A 374 45.527 2.833 -10.054 1.00 74.82 C ATOM 1247 CE LYS A 374 46.837 3.570 -9.904 1.00 90.32 C ATOM 1248 NZ LYS A 374 47.385 4.011 -11.216 1.00100.97 N ATOM 1249 HZ1 LYS A 374 47.548 3.180 -11.819 1.00 0.00 H ATOM 1250 HZ2 LYS A 374 46.705 4.648 -11.678 1.00 0.00 H ATOM 1251 HZ3 LYS A 374 48.284 4.512 -11.064 1.00 0.00 H ATOM 1252 H LYS A 374 42.525 3.061 -6.852 1.00 0.00 H ATOM 1253 N SER A 375 40.477 1.103 -8.468 1.00 41.89 N ATOM 1254 CA SER A 375 39.285 0.289 -8.726 1.00 42.35 C ATOM 1255 C SER A 375 38.127 1.159 -9.271 1.00 43.93 C ATOM 1256 O SER A 375 37.449 0.742 -10.205 1.00 43.57 O ATOM 1257 CB SER A 375 38.858 -0.430 -7.449 1.00 47.90 C ATOM 1258 OG SER A 375 37.854 -1.392 -7.719 1.00 61.72 O ATOM 1259 HG SER A 375 37.595 -1.843 -6.876 1.00 0.00 H ATOM 1260 H SER A 375 40.842 1.135 -7.495 1.00 0.00 H ATOM 1261 N ILE A 376 37.933 2.373 -8.708 1.00 38.62 N ATOM 1262 CA ILE A 376 36.910 3.341 -9.137 1.00 37.45 C ATOM 1263 C ILE A 376 37.262 3.870 -10.528 1.00 41.58 C ATOM 1264 O ILE A 376 36.375 4.043 -11.360 1.00 40.26 O ATOM 1265 CB ILE A 376 36.796 4.496 -8.097 1.00 39.55 C ATOM 1266 CG1 ILE A 376 36.040 4.045 -6.830 1.00 39.70 C ATOM 1267 CG2 ILE A 376 36.207 5.791 -8.702 1.00 40.63 C ATOM 1268 CD1 ILE A 376 34.469 4.230 -6.816 1.00 47.70 C ATOM 1269 H ILE A 376 38.550 2.642 -7.916 1.00 0.00 H ATOM 1270 N GLY A 377 38.550 4.136 -10.750 1.00 39.89 N ATOM 1271 CA GLY A 377 39.070 4.632 -12.020 1.00 41.02 C ATOM 1272 C GLY A 377 38.785 3.721 -13.192 1.00 46.35 C ATOM 1273 O GLY A 377 38.501 4.202 -14.290 1.00 46.54 O ATOM 1274 H GLY A 377 39.223 3.981 -9.972 1.00 0.00 H ATOM 1275 N GLU A 378 38.813 2.399 -12.950 1.00 44.19 N ATOM 1276 CA GLU A 378 38.537 1.370 -13.960 1.00 45.79 C ATOM 1277 C GLU A 378 37.102 1.439 -14.491 1.00 49.21 C ATOM 1278 O GLU A 378 36.862 1.054 -15.633 1.00 49.50 O ATOM 1279 CB GLU A 378 38.796 -0.033 -13.389 1.00 48.26 C ATOM 1280 CG GLU A 378 40.259 -0.390 -13.207 1.00 60.58 C ATOM 1281 CD GLU A 378 40.468 -1.782 -12.643 1.00 88.30 C ATOM 1282 OE1 GLU A 378 40.104 -2.765 -13.331 1.00 90.28 O ATOM 1283 OE2 GLU A 378 41.005 -1.892 -11.517 1.00 82.64 O ATOM 1284 H GLU A 378 39.045 2.085 -11.986 1.00 0.00 H ATOM 1285 N LEU A 379 36.144 1.904 -13.663 1.00 44.70 N ATOM 1286 CA LEU A 379 34.745 1.985 -14.076 1.00 44.15 C ATOM 1287 C LEU A 379 34.416 3.233 -14.898 1.00 46.79 C ATOM 1288 O LEU A 379 33.280 3.355 -15.359 1.00 46.44 O ATOM 1289 CB LEU A 379 33.784 1.847 -12.877 1.00 43.60 C ATOM 1290 CG LEU A 379 33.850 0.567 -12.037 1.00 49.07 C ATOM 1291 CD1 LEU A 379 32.802 0.590 -10.963 1.00 48.62 C ATOM 1292 CD2 LEU A 379 33.656 -0.679 -12.890 1.00 53.35 C ATOM 1293 H LEU A 379 36.408 2.213 -12.706 1.00 0.00 H ATOM 1294 N LYS A 380 35.399 4.147 -15.099 1.00 42.52 N ATOM 1295 CA LYS A 380 35.248 5.392 -15.866 1.00 41.90 C ATOM 1296 C LYS A 380 33.911 6.041 -15.544 1.00 45.19 C ATOM 1297 O LYS A 380 33.039 6.171 -16.404 1.00 44.47 O ATOM 1298 CB LYS A 380 35.433 5.150 -17.379 1.00 45.45 C ATOM 1299 CG LYS A 380 36.849 5.411 -17.879 1.00 60.81 C ATOM 1300 CD LYS A 380 37.793 4.231 -17.655 1.00 72.32 C ATOM 1301 CE LYS A 380 39.237 4.585 -17.937 1.00 82.93 C ATOM 1302 NZ LYS A 380 39.815 5.473 -16.889 1.00 89.84 N ATOM 1303 HZ1 LYS A 380 39.268 6.357 -16.845 1.00 0.00 H ATOM 1304 HZ2 LYS A 380 39.774 4.992 -15.968 1.00 0.00 H ATOM 1305 HZ3 LYS A 380 40.805 5.688 -17.126 1.00 0.00 H ATOM 1306 H LYS A 380 36.330 3.952 -14.678 1.00 0.00 H ATOM 1307 N MET A 381 33.727 6.345 -14.258 1.00 41.94 N ATOM 1308 CA MET A 381 32.498 6.906 -13.726 1.00 41.61 C ATOM 1309 C MET A 381 32.254 8.317 -14.195 1.00 42.68 C ATOM 1310 O MET A 381 33.169 9.140 -14.171 1.00 42.42 O ATOM 1311 CB MET A 381 32.504 6.844 -12.199 1.00 44.20 C ATOM 1312 CG MET A 381 32.006 5.516 -11.658 1.00 49.48 C ATOM 1313 SD MET A 381 32.142 5.415 -9.860 1.00 54.15 S ATOM 1314 CE MET A 381 30.941 6.581 -9.380 1.00 49.74 C ATOM 1315 H MET A 381 34.511 6.170 -13.597 1.00 0.00 H ATOM 1316 N THR A 382 31.017 8.591 -14.635 1.00 36.67 N ATOM 1317 CA THR A 382 30.600 9.918 -15.067 1.00 35.66 C ATOM 1318 C THR A 382 30.317 10.735 -13.795 1.00 36.16 C ATOM 1319 O THR A 382 30.193 10.162 -12.705 1.00 32.95 O ATOM 1320 CB THR A 382 29.342 9.854 -15.973 1.00 46.11 C ATOM 1321 OG1 THR A 382 28.201 9.464 -15.200 1.00 45.44 O ATOM 1322 CG2 THR A 382 29.511 8.929 -17.177 1.00 44.30 C ATOM 1323 HG1 THR A 382 27.404 9.426 -15.786 1.00 0.00 H ATOM 1324 H THR A 382 30.322 7.818 -14.669 1.00 0.00 H ATOM 1325 N GLN A 383 30.189 12.058 -13.941 1.00 31.67 N ATOM 1326 CA GLN A 383 29.861 12.951 -12.832 1.00 30.96 C ATOM 1327 C GLN A 383 28.469 12.603 -12.243 1.00 33.60 C ATOM 1328 O GLN A 383 28.304 12.675 -11.031 1.00 33.77 O ATOM 1329 CB GLN A 383 29.964 14.422 -13.280 1.00 33.03 C ATOM 1330 CG GLN A 383 29.759 15.416 -12.132 1.00 57.68 C ATOM 1331 CD GLN A 383 30.864 16.418 -11.918 1.00 79.85 C ATOM 1332 OE1 GLN A 383 32.002 16.269 -12.389 1.00 77.39 O ATOM 1333 NE2 GLN A 383 30.551 17.455 -11.156 1.00 67.31 N ATOM 1334 HE22 GLN A 383 29.587 17.550 -10.777 1.00 0.00 H ATOM 1335 HE21 GLN A 383 31.269 18.175 -10.937 1.00 0.00 H ATOM 1336 H GLN A 383 30.329 12.470 -14.886 1.00 0.00 H ATOM 1337 N GLU A 384 27.512 12.138 -13.083 1.00 31.14 N ATOM 1338 CA GLU A 384 26.166 11.722 -12.641 1.00 30.72 C ATOM 1339 C GLU A 384 26.280 10.528 -11.706 1.00 30.98 C ATOM 1340 O GLU A 384 25.575 10.470 -10.705 1.00 28.83 O ATOM 1341 CB GLU A 384 25.251 11.364 -13.835 1.00 33.02 C ATOM 1342 CG GLU A 384 24.809 12.549 -14.690 1.00 46.70 C ATOM 1343 CD GLU A 384 25.856 13.245 -15.550 1.00 69.28 C ATOM 1344 OE1 GLU A 384 26.872 12.608 -15.912 1.00 57.76 O ATOM 1345 OE2 GLU A 384 25.662 14.444 -15.852 1.00 66.61 O ATOM 1346 H GLU A 384 27.739 12.070 -14.096 1.00 0.00 H ATOM 1347 N GLU A 385 27.213 9.601 -12.006 1.00 26.96 N ATOM 1348 CA GLU A 385 27.435 8.398 -11.203 1.00 25.67 C ATOM 1349 C GLU A 385 28.049 8.734 -9.863 1.00 29.02 C ATOM 1350 O GLU A 385 27.586 8.214 -8.849 1.00 27.87 O ATOM 1351 CB GLU A 385 28.226 7.322 -11.972 1.00 27.30 C ATOM 1352 CG GLU A 385 27.411 6.707 -13.099 1.00 36.71 C ATOM 1353 CD GLU A 385 28.134 5.756 -14.031 1.00 55.36 C ATOM 1354 OE1 GLU A 385 29.383 5.787 -14.070 1.00 39.02 O ATOM 1355 OE2 GLU A 385 27.443 4.996 -14.746 1.00 56.25 O ATOM 1356 H GLU A 385 27.803 9.749 -12.849 1.00 0.00 H ATOM 1357 N TYR A 386 29.052 9.628 -9.837 1.00 26.65 N ATOM 1358 CA TYR A 386 29.660 10.078 -8.573 1.00 26.48 C ATOM 1359 C TYR A 386 28.627 10.759 -7.684 1.00 28.13 C ATOM 1360 O TYR A 386 28.556 10.454 -6.489 1.00 27.37 O ATOM 1361 CB TYR A 386 30.823 11.048 -8.819 1.00 28.03 C ATOM 1362 CG TYR A 386 32.107 10.380 -9.247 1.00 30.32 C ATOM 1363 CD1 TYR A 386 32.840 9.600 -8.359 1.00 32.28 C ATOM 1364 CD2 TYR A 386 32.643 10.607 -10.510 1.00 32.19 C ATOM 1365 CE1 TYR A 386 34.039 8.998 -8.743 1.00 32.58 C ATOM 1366 CE2 TYR A 386 33.854 10.031 -10.898 1.00 33.25 C ATOM 1367 CZ TYR A 386 34.548 9.229 -10.010 1.00 38.36 C ATOM 1368 OH TYR A 386 35.751 8.682 -10.382 1.00 42.67 O ATOM 1369 HH TYR A 386 35.619 8.106 -11.176 1.00 0.00 H ATOM 1370 H TYR A 386 29.409 10.013 -10.735 1.00 0.00 H ATOM 1371 N ALA A 387 27.833 11.684 -8.267 1.00 24.45 N ATOM 1372 CA ALA A 387 26.800 12.411 -7.515 1.00 24.77 C ATOM 1373 C ALA A 387 25.709 11.465 -6.974 1.00 25.63 C ATOM 1374 O ALA A 387 25.349 11.575 -5.817 1.00 25.03 O ATOM 1375 CB ALA A 387 26.169 13.478 -8.390 1.00 25.92 C ATOM 1376 H ALA A 387 27.957 11.888 -9.279 1.00 0.00 H ATOM 1377 N LEU A 388 25.179 10.559 -7.817 1.00 23.26 N ATOM 1378 CA LEU A 388 24.131 9.619 -7.393 1.00 23.67 C ATOM 1379 C LEU A 388 24.620 8.668 -6.339 1.00 27.54 C ATOM 1380 O LEU A 388 23.908 8.437 -5.362 1.00 27.25 O ATOM 1381 CB LEU A 388 23.547 8.831 -8.570 1.00 24.23 C ATOM 1382 CG LEU A 388 22.553 9.584 -9.428 1.00 29.85 C ATOM 1383 CD1 LEU A 388 22.380 8.887 -10.741 1.00 30.83 C ATOM 1384 CD2 LEU A 388 21.201 9.802 -8.688 1.00 32.61 C ATOM 1385 H LEU A 388 25.521 10.523 -8.798 1.00 0.00 H ATOM 1386 N LEU A 389 25.841 8.139 -6.511 1.00 23.83 N ATOM 1387 CA LEU A 389 26.442 7.221 -5.543 1.00 24.91 C ATOM 1388 C LEU A 389 26.644 7.899 -4.195 1.00 27.06 C ATOM 1389 O LEU A 389 26.356 7.290 -3.167 1.00 27.66 O ATOM 1390 CB LEU A 389 27.760 6.654 -6.089 1.00 26.34 C ATOM 1391 CG LEU A 389 28.042 5.183 -5.829 1.00 33.89 C ATOM 1392 CD1 LEU A 389 26.842 4.287 -6.173 1.00 34.33 C ATOM 1393 CD2 LEU A 389 29.269 4.738 -6.608 1.00 40.13 C ATOM 1394 H LEU A 389 26.380 8.391 -7.364 1.00 0.00 H ATOM 1395 N THR A 390 27.072 9.181 -4.199 1.00 23.49 N ATOM 1396 CA THR A 390 27.221 9.975 -2.971 1.00 22.53 C ATOM 1397 C THR A 390 25.863 10.099 -2.288 1.00 26.23 C ATOM 1398 O THR A 390 25.774 9.844 -1.093 1.00 26.78 O ATOM 1399 CB THR A 390 27.861 11.351 -3.269 1.00 30.50 C ATOM 1400 OG1 THR A 390 29.102 11.142 -3.941 1.00 29.93 O ATOM 1401 CG2 THR A 390 28.123 12.161 -1.998 1.00 30.56 C ATOM 1402 HG1 THR A 390 28.940 10.655 -4.788 1.00 0.00 H ATOM 1403 H THR A 390 27.306 9.625 -5.110 1.00 0.00 H ATOM 1404 N ALA A 391 24.799 10.463 -3.042 1.00 22.96 N ATOM 1405 CA ALA A 391 23.446 10.580 -2.473 1.00 23.02 C ATOM 1406 C ALA A 391 22.942 9.225 -1.910 1.00 24.90 C ATOM 1407 O ALA A 391 22.281 9.201 -0.879 1.00 23.84 O ATOM 1408 CB ALA A 391 22.471 11.104 -3.526 1.00 23.97 C ATOM 1409 H ALA A 391 24.941 10.666 -4.052 1.00 0.00 H ATOM 1410 N ILE A 392 23.279 8.112 -2.561 1.00 21.95 N ATOM 1411 CA ILE A 392 22.871 6.760 -2.110 1.00 21.96 C ATOM 1412 C ILE A 392 23.592 6.355 -0.826 1.00 27.13 C ATOM 1413 O ILE A 392 22.989 5.720 0.045 1.00 27.44 O ATOM 1414 CB ILE A 392 23.051 5.752 -3.275 1.00 25.32 C ATOM 1415 CG1 ILE A 392 21.979 6.012 -4.364 1.00 25.64 C ATOM 1416 CG2 ILE A 392 23.068 4.275 -2.816 1.00 25.81 C ATOM 1417 CD1 ILE A 392 22.392 5.496 -5.793 1.00 23.95 C ATOM 1418 H ILE A 392 23.854 8.196 -3.424 1.00 0.00 H ATOM 1419 N VAL A 393 24.873 6.746 -0.703 1.00 25.68 N ATOM 1420 CA VAL A 393 25.708 6.514 0.474 1.00 26.39 C ATOM 1421 C VAL A 393 25.106 7.293 1.656 1.00 30.26 C ATOM 1422 O VAL A 393 24.934 6.725 2.723 1.00 32.10 O ATOM 1423 CB VAL A 393 27.191 6.912 0.169 1.00 31.58 C ATOM 1424 CG1 VAL A 393 27.972 7.287 1.430 1.00 31.75 C ATOM 1425 CG2 VAL A 393 27.908 5.798 -0.578 1.00 31.78 C ATOM 1426 H VAL A 393 25.301 7.251 -1.505 1.00 0.00 H ATOM 1427 N ILE A 394 24.762 8.581 1.454 1.00 26.11 N ATOM 1428 CA ILE A 394 24.190 9.430 2.514 1.00 25.56 C ATOM 1429 C ILE A 394 22.805 8.940 2.948 1.00 30.28 C ATOM 1430 O ILE A 394 22.519 8.852 4.150 1.00 30.73 O ATOM 1431 CB ILE A 394 24.162 10.922 2.083 1.00 27.71 C ATOM 1432 CG1 ILE A 394 25.591 11.450 1.781 1.00 26.91 C ATOM 1433 CG2 ILE A 394 23.450 11.781 3.160 1.00 28.99 C ATOM 1434 CD1 ILE A 394 25.620 12.685 0.837 1.00 24.63 C ATOM 1435 H ILE A 394 24.906 8.993 0.510 1.00 0.00 H ATOM 1436 N LEU A 395 21.956 8.609 1.971 1.00 27.84 N ATOM 1437 CA LEU A 395 20.588 8.191 2.233 1.00 28.84 C ATOM 1438 C LEU A 395 20.460 6.701 2.466 1.00 34.12 C ATOM 1439 O LEU A 395 19.511 6.089 2.003 1.00 34.97 O ATOM 1440 CB LEU A 395 19.642 8.697 1.135 1.00 28.88 C ATOM 1441 CG LEU A 395 19.473 10.211 1.072 1.00 33.30 C ATOM 1442 CD1 LEU A 395 18.724 10.614 -0.160 1.00 33.00 C ATOM 1443 CD2 LEU A 395 18.765 10.752 2.321 1.00 37.15 C ATOM 1444 H LEU A 395 22.286 8.652 0.986 1.00 0.00 H ATOM 1445 N SER A 396 21.410 6.136 3.232 1.00 32.16 N ATOM 1446 CA SER A 396 21.444 4.718 3.574 1.00 32.95 C ATOM 1447 C SER A 396 20.477 4.456 4.737 1.00 38.24 C ATOM 1448 O SER A 396 20.670 4.998 5.825 1.00 37.76 O ATOM 1449 CB SER A 396 22.865 4.279 3.914 1.00 36.06 C ATOM 1450 OG SER A 396 22.927 2.874 4.096 1.00 45.08 O ATOM 1451 HG SER A 396 22.643 2.422 3.262 1.00 0.00 H ATOM 1452 H SER A 396 22.166 6.746 3.603 1.00 0.00 H ATOM 1453 N PRO A 397 19.393 3.668 4.521 1.00 37.26 N ATOM 1454 CA PRO A 397 18.425 3.459 5.612 1.00 39.34 C ATOM 1455 C PRO A 397 18.838 2.499 6.720 1.00 48.30 C ATOM 1456 O PRO A 397 18.088 2.370 7.693 1.00 49.88 O ATOM 1457 CB PRO A 397 17.183 2.962 4.883 1.00 41.17 C ATOM 1458 CG PRO A 397 17.703 2.293 3.683 1.00 44.71 C ATOM 1459 CD PRO A 397 18.972 2.963 3.289 1.00 38.27 C ATOM 1460 N ASP A 398 20.000 1.829 6.582 1.00 46.27 N ATOM 1461 CA ASP A 398 20.476 0.876 7.582 1.00 49.17 C ATOM 1462 C ASP A 398 21.592 1.450 8.486 1.00 54.55 C ATOM 1463 O ASP A 398 22.315 0.680 9.130 1.00 55.97 O ATOM 1464 CB ASP A 398 20.887 -0.464 6.925 1.00 52.28 C ATOM 1465 CG ASP A 398 22.018 -0.395 5.905 1.00 65.51 C ATOM 1466 OD1 ASP A 398 22.598 0.699 5.729 1.00 64.43 O ATOM 1467 OD2 ASP A 398 22.315 -1.438 5.275 1.00 73.83 O ATOM 1468 H ASP A 398 20.578 1.997 5.734 1.00 0.00 H ATOM 1469 N ARG A 399 21.725 2.793 8.553 1.00 49.64 N ATOM 1470 CA ARG A 399 22.720 3.408 9.441 1.00 49.05 C ATOM 1471 C ARG A 399 22.233 3.267 10.867 1.00 54.60 C ATOM 1472 O ARG A 399 21.025 3.244 11.105 1.00 54.52 O ATOM 1473 CB ARG A 399 22.948 4.903 9.146 1.00 46.54 C ATOM 1474 CG ARG A 399 23.424 5.221 7.742 1.00 48.74 C ATOM 1475 CD ARG A 399 24.861 4.833 7.509 1.00 45.37 C ATOM 1476 NE ARG A 399 25.327 5.341 6.223 1.00 38.90 N ATOM 1477 CZ ARG A 399 26.424 4.921 5.615 1.00 51.76 C ATOM 1478 NH1 ARG A 399 27.187 3.991 6.177 1.00 39.42 N ATOM 1479 NH2 ARG A 399 26.768 5.425 4.439 1.00 37.92 N ATOM 1480 HE ARG A 399 24.762 6.079 5.756 1.00 0.00 H ATOM 1481 HH12 ARG A 399 28.049 3.664 5.695 1.00 0.00 H ATOM 1482 HH11 ARG A 399 26.923 3.589 7.099 1.00 0.00 H ATOM 1483 HH22 ARG A 399 27.631 5.093 3.963 1.00 0.00 H ATOM 1484 HH21 ARG A 399 26.175 6.153 3.992 1.00 0.00 H ATOM 1485 H ARG A 399 21.115 3.399 7.968 1.00 0.00 H ATOM 1486 N GLN A 400 23.166 3.203 11.814 1.00 52.78 N ATOM 1487 CA GLN A 400 22.840 3.098 13.230 1.00 54.93 C ATOM 1488 C GLN A 400 22.166 4.383 13.699 1.00 60.23 C ATOM 1489 O GLN A 400 22.438 5.460 13.160 1.00 59.23 O ATOM 1490 CB GLN A 400 24.116 2.828 14.043 1.00 56.86 C ATOM 1491 CG GLN A 400 24.580 1.368 13.989 1.00 79.02 C ATOM 1492 CD GLN A 400 25.849 1.091 14.772 1.00102.43 C ATOM 1493 OE1 GLN A 400 26.203 1.787 15.736 1.00 98.73 O ATOM 1494 NE2 GLN A 400 26.547 0.032 14.393 1.00 95.52 N ATOM 1495 HE22 GLN A 400 26.230 -0.536 13.582 1.00 0.00 H ATOM 1496 HE21 GLN A 400 27.412 -0.232 14.907 1.00 0.00 H ATOM 1497 H GLN A 400 24.167 3.229 11.532 1.00 0.00 H ATOM 1498 N TYR A 401 21.285 4.263 14.701 1.00 58.67 N ATOM 1499 CA TYR A 401 20.565 5.347 15.386 1.00 59.24 C ATOM 1500 C TYR A 401 19.456 6.043 14.537 1.00 60.56 C ATOM 1501 O TYR A 401 18.963 7.096 14.952 1.00 60.85 O ATOM 1502 CB TYR A 401 21.548 6.383 16.002 1.00 60.91 C ATOM 1503 CG TYR A 401 22.766 5.749 16.644 1.00 64.36 C ATOM 1504 CD1 TYR A 401 22.656 5.008 17.819 1.00 68.48 C ATOM 1505 CD2 TYR A 401 24.026 5.866 16.062 1.00 64.12 C ATOM 1506 CE1 TYR A 401 23.768 4.394 18.395 1.00 70.13 C ATOM 1507 CE2 TYR A 401 25.144 5.250 16.624 1.00 65.68 C ATOM 1508 CZ TYR A 401 25.010 4.516 17.792 1.00 76.46 C ATOM 1509 OH TYR A 401 26.112 3.925 18.362 1.00 80.61 O ATOM 1510 HH TYR A 401 26.511 3.285 17.721 1.00 0.00 H ATOM 1511 H TYR A 401 21.089 3.296 15.031 1.00 0.00 H ATOM 1512 N ILE A 402 19.006 5.430 13.414 1.00 54.61 N ATOM 1513 CA ILE A 402 17.887 5.976 12.622 1.00 53.05 C ATOM 1514 C ILE A 402 16.590 5.474 13.264 1.00 57.99 C ATOM 1515 O ILE A 402 16.469 4.276 13.519 1.00 58.40 O ATOM 1516 CB ILE A 402 17.937 5.610 11.107 1.00 54.40 C ATOM 1517 CG1 ILE A 402 19.236 6.097 10.438 1.00 52.83 C ATOM 1518 CG2 ILE A 402 16.693 6.145 10.359 1.00 54.20 C ATOM 1519 CD1 ILE A 402 19.468 5.478 9.069 1.00 64.14 C ATOM 1520 H ILE A 402 19.463 4.549 13.102 1.00 0.00 H ATOM 1521 N LYS A 403 15.627 6.383 13.517 1.00 54.73 N ATOM 1522 CA LYS A 403 14.339 6.050 14.137 1.00 56.00 C ATOM 1523 C LYS A 403 13.288 5.613 13.109 1.00 58.92 C ATOM 1524 O LYS A 403 12.649 4.579 13.302 1.00 60.67 O ATOM 1525 CB LYS A 403 13.830 7.219 14.995 1.00 59.13 C ATOM 1526 CG LYS A 403 14.609 7.417 16.296 1.00 72.84 C ATOM 1527 CD LYS A 403 14.951 8.887 16.550 1.00 85.11 C ATOM 1528 CE LYS A 403 13.818 9.694 17.143 1.00 98.85 C ATOM 1529 NZ LYS A 403 14.122 11.150 17.129 1.00107.22 N ATOM 1530 HZ1 LYS A 403 14.982 11.329 17.686 1.00 0.00 H ATOM 1531 HZ2 LYS A 403 14.272 11.462 16.148 1.00 0.00 H ATOM 1532 HZ3 LYS A 403 13.324 11.673 17.543 1.00 0.00 H ATOM 1533 H LYS A 403 15.807 7.374 13.259 1.00 0.00 H ATOM 1534 N ASP A 404 13.123 6.386 12.017 1.00 52.60 N ATOM 1535 CA ASP A 404 12.172 6.112 10.938 1.00 51.61 C ATOM 1536 C ASP A 404 12.955 5.738 9.653 1.00 52.42 C ATOM 1537 O ASP A 404 13.292 6.598 8.828 1.00 49.44 O ATOM 1538 CB ASP A 404 11.241 7.333 10.745 1.00 53.70 C ATOM 1539 CG ASP A 404 10.076 7.182 9.781 1.00 61.10 C ATOM 1540 OD1 ASP A 404 9.941 6.101 9.168 1.00 62.05 O ATOM 1541 OD2 ASP A 404 9.315 8.162 9.615 1.00 65.24 O ATOM 1542 H ASP A 404 13.714 7.238 11.935 1.00 0.00 H ATOM 1543 N ARG A 405 13.268 4.440 9.527 1.00 48.45 N ATOM 1544 CA ARG A 405 14.043 3.853 8.425 1.00 46.12 C ATOM 1545 C ARG A 405 13.306 3.794 7.107 1.00 48.53 C ATOM 1546 O ARG A 405 13.953 3.907 6.066 1.00 46.73 O ATOM 1547 CB ARG A 405 14.540 2.457 8.802 1.00 46.24 C ATOM 1548 CG ARG A 405 15.293 2.487 10.113 1.00 56.18 C ATOM 1549 CD ARG A 405 15.888 1.163 10.537 1.00 59.33 C ATOM 1550 NE ARG A 405 16.634 1.343 11.782 1.00 54.72 N ATOM 1551 CZ ARG A 405 17.850 1.872 11.854 1.00 57.94 C ATOM 1552 NH1 ARG A 405 18.446 2.019 13.026 1.00 44.12 N ATOM 1553 NH2 ARG A 405 18.492 2.229 10.750 1.00 44.75 N ATOM 1554 HE ARG A 405 16.183 1.037 12.668 1.00 0.00 H ATOM 1555 HH12 ARG A 405 19.398 2.434 13.077 1.00 0.00 H ATOM 1556 HH11 ARG A 405 17.962 1.720 13.897 1.00 0.00 H ATOM 1557 HH22 ARG A 405 19.444 2.643 10.813 1.00 0.00 H ATOM 1558 HH21 ARG A 405 18.043 2.095 9.821 1.00 0.00 H ATOM 1559 H ARG A 405 12.934 3.795 10.271 1.00 0.00 H ATOM 1560 N GLU A 406 11.969 3.578 7.135 1.00 45.10 N ATOM 1561 CA GLU A 406 11.153 3.515 5.915 1.00 44.05 C ATOM 1562 C GLU A 406 11.115 4.875 5.210 1.00 44.45 C ATOM 1563 O GLU A 406 11.021 4.930 3.983 1.00 42.46 O ATOM 1564 CB GLU A 406 9.737 2.932 6.168 1.00 47.42 C ATOM 1565 CG GLU A 406 8.813 3.771 7.040 1.00 64.55 C ATOM 1566 CD GLU A 406 7.469 3.163 7.414 1.00 92.84 C ATOM 1567 OE1 GLU A 406 6.606 3.916 7.923 1.00 87.18 O ATOM 1568 OE2 GLU A 406 7.276 1.941 7.213 1.00 87.10 O ATOM 1569 H GLU A 406 11.502 3.452 8.056 1.00 0.00 H ATOM 1570 N ALA A 407 11.238 5.967 5.986 1.00 40.85 N ATOM 1571 CA ALA A 407 11.274 7.322 5.448 1.00 39.39 C ATOM 1572 C ALA A 407 12.556 7.497 4.621 1.00 39.73 C ATOM 1573 O ALA A 407 12.486 8.042 3.530 1.00 39.02 O ATOM 1574 CB ALA A 407 11.218 8.339 6.578 1.00 40.66 C ATOM 1575 H ALA A 407 11.311 5.839 7.016 1.00 0.00 H ATOM 1576 N VAL A 408 13.697 6.973 5.105 1.00 35.63 N ATOM 1577 CA VAL A 408 14.984 7.041 4.396 1.00 33.88 C ATOM 1578 C VAL A 408 14.934 6.132 3.145 1.00 37.98 C ATOM 1579 O VAL A 408 15.421 6.532 2.094 1.00 37.10 O ATOM 1580 CB VAL A 408 16.206 6.750 5.308 1.00 37.65 C ATOM 1581 CG1 VAL A 408 17.521 7.021 4.578 1.00 36.28 C ATOM 1582 CG2 VAL A 408 16.146 7.564 6.601 1.00 37.54 C ATOM 1583 H VAL A 408 13.667 6.495 6.028 1.00 0.00 H ATOM 1584 N GLU A 409 14.298 4.945 3.258 1.00 36.88 N ATOM 1585 CA GLU A 409 14.089 3.990 2.161 1.00 37.46 C ATOM 1586 C GLU A 409 13.353 4.648 0.991 1.00 39.87 C ATOM 1587 O GLU A 409 13.751 4.460 -0.157 1.00 38.17 O ATOM 1588 CB GLU A 409 13.278 2.767 2.637 1.00 40.63 C ATOM 1589 CG GLU A 409 14.075 1.747 3.427 1.00 55.59 C ATOM 1590 CD GLU A 409 13.456 0.364 3.506 1.00 84.96 C ATOM 1591 OE1 GLU A 409 12.365 0.225 4.107 1.00 70.48 O ATOM 1592 OE2 GLU A 409 14.075 -0.588 2.977 1.00 88.53 O ATOM 1593 H GLU A 409 13.927 4.687 4.195 1.00 0.00 H ATOM 1594 N LYS A 410 12.285 5.421 1.283 1.00 37.32 N ATOM 1595 CA LYS A 410 11.486 6.126 0.271 1.00 36.90 C ATOM 1596 C LYS A 410 12.323 7.156 -0.496 1.00 37.49 C ATOM 1597 O LYS A 410 11.977 7.498 -1.623 1.00 37.17 O ATOM 1598 CB LYS A 410 10.262 6.807 0.908 1.00 40.78 C ATOM 1599 CG LYS A 410 9.026 5.927 0.939 1.00 56.71 C ATOM 1600 CD LYS A 410 7.801 6.700 1.400 1.00 67.05 C ATOM 1601 CE LYS A 410 7.241 6.154 2.689 1.00 75.52 C ATOM 1602 NZ LYS A 410 6.027 6.895 3.115 1.00 84.02 N ATOM 1603 HZ1 LYS A 410 6.266 7.897 3.259 1.00 0.00 H ATOM 1604 HZ2 LYS A 410 5.297 6.814 2.379 1.00 0.00 H ATOM 1605 HZ3 LYS A 410 5.670 6.491 4.005 1.00 0.00 H ATOM 1606 H LYS A 410 12.012 5.523 2.281 1.00 0.00 H ATOM 1607 N LEU A 411 13.412 7.651 0.116 1.00 31.96 N ATOM 1608 CA LEU A 411 14.302 8.618 -0.520 1.00 30.68 C ATOM 1609 C LEU A 411 15.408 7.939 -1.295 1.00 32.21 C ATOM 1610 O LEU A 411 15.793 8.436 -2.342 1.00 31.35 O ATOM 1611 CB LEU A 411 14.908 9.604 0.505 1.00 29.92 C ATOM 1612 CG LEU A 411 13.950 10.442 1.344 1.00 34.33 C ATOM 1613 CD1 LEU A 411 14.724 11.384 2.242 1.00 34.79 C ATOM 1614 CD2 LEU A 411 12.979 11.244 0.475 1.00 35.44 C ATOM 1615 H LEU A 411 13.630 7.332 1.082 1.00 0.00 H ATOM 1616 N GLN A 412 15.953 6.826 -0.778 1.00 29.29 N ATOM 1617 CA GLN A 412 17.047 6.135 -1.466 1.00 27.53 C ATOM 1618 C GLN A 412 16.574 5.326 -2.684 1.00 32.98 C ATOM 1619 O GLN A 412 17.258 5.339 -3.717 1.00 30.68 O ATOM 1620 CB GLN A 412 17.823 5.232 -0.501 1.00 28.88 C ATOM 1621 CG GLN A 412 19.140 4.683 -1.081 1.00 29.14 C ATOM 1622 CD GLN A 412 19.673 3.510 -0.308 1.00 39.03 C ATOM 1623 OE1 GLN A 412 18.961 2.547 -0.028 1.00 38.15 O ATOM 1624 NE2 GLN A 412 20.943 3.559 0.050 1.00 29.90 N ATOM 1625 HE22 GLN A 412 21.522 4.386 -0.200 1.00 0.00 H ATOM 1626 HE21 GLN A 412 21.364 2.771 0.582 1.00 0.00 H ATOM 1627 H GLN A 412 15.594 6.449 0.123 1.00 0.00 H ATOM 1628 N GLU A 413 15.447 4.598 -2.565 1.00 30.73 N ATOM 1629 CA GLU A 413 14.959 3.748 -3.675 1.00 32.28 C ATOM 1630 C GLU A 413 14.841 4.505 -5.045 1.00 36.07 C ATOM 1631 O GLU A 413 15.366 3.975 -6.024 1.00 34.90 O ATOM 1632 CB GLU A 413 13.652 3.021 -3.302 1.00 35.49 C ATOM 1633 CG GLU A 413 13.290 1.902 -4.266 1.00 48.85 C ATOM 1634 CD GLU A 413 12.565 0.698 -3.689 1.00 74.35 C ATOM 1635 OE1 GLU A 413 12.554 0.533 -2.446 1.00 66.29 O ATOM 1636 OE2 GLU A 413 12.055 -0.117 -4.494 1.00 70.98 O ATOM 1637 H GLU A 413 14.909 4.634 -1.676 1.00 0.00 H ATOM 1638 N PRO A 414 14.280 5.741 -5.158 1.00 33.49 N ATOM 1639 CA PRO A 414 14.237 6.399 -6.482 1.00 32.99 C ATOM 1640 C PRO A 414 15.607 6.750 -7.063 1.00 36.14 C ATOM 1641 O PRO A 414 15.759 6.793 -8.283 1.00 36.26 O ATOM 1642 CB PRO A 414 13.386 7.648 -6.243 1.00 35.07 C ATOM 1643 CG PRO A 414 13.456 7.892 -4.796 1.00 39.63 C ATOM 1644 CD PRO A 414 13.569 6.550 -4.151 1.00 35.71 C ATOM 1645 N LEU A 415 16.605 6.955 -6.200 1.00 31.95 N ATOM 1646 CA LEU A 415 17.975 7.238 -6.629 1.00 31.12 C ATOM 1647 C LEU A 415 18.627 5.995 -7.224 1.00 30.96 C ATOM 1648 O LEU A 415 19.387 6.117 -8.175 1.00 29.96 O ATOM 1649 CB LEU A 415 18.828 7.781 -5.471 1.00 31.02 C ATOM 1650 CG LEU A 415 18.352 9.098 -4.852 1.00 36.56 C ATOM 1651 CD1 LEU A 415 19.079 9.356 -3.573 1.00 36.93 C ATOM 1652 CD2 LEU A 415 18.556 10.261 -5.815 1.00 39.59 C ATOM 1653 H LEU A 415 16.400 6.912 -5.181 1.00 0.00 H ATOM 1654 N LEU A 416 18.378 4.819 -6.636 1.00 28.05 N ATOM 1655 CA LEU A 416 18.908 3.542 -7.146 1.00 28.12 C ATOM 1656 C LEU A 416 18.220 3.240 -8.472 1.00 31.61 C ATOM 1657 O LEU A 416 18.863 2.741 -9.394 1.00 30.60 O ATOM 1658 CB LEU A 416 18.643 2.390 -6.149 1.00 29.16 C ATOM 1659 CG LEU A 416 19.475 2.383 -4.859 1.00 32.60 C ATOM 1660 CD1 LEU A 416 18.808 1.515 -3.796 1.00 33.89 C ATOM 1661 CD2 LEU A 416 20.896 1.905 -5.127 1.00 33.58 C ATOM 1662 H LEU A 416 17.785 4.806 -5.782 1.00 0.00 H ATOM 1663 N ASP A 417 16.919 3.601 -8.584 1.00 29.97 N ATOM 1664 CA ASP A 417 16.136 3.436 -9.816 1.00 31.18 C ATOM 1665 C ASP A 417 16.758 4.282 -10.940 1.00 33.16 C ATOM 1666 O ASP A 417 16.982 3.761 -12.031 1.00 31.99 O ATOM 1667 CB ASP A 417 14.655 3.817 -9.602 1.00 34.03 C ATOM 1668 CG ASP A 417 13.801 2.824 -8.818 1.00 51.81 C ATOM 1669 OD1 ASP A 417 14.350 1.801 -8.344 1.00 53.75 O ATOM 1670 OD2 ASP A 417 12.586 3.085 -8.654 1.00 61.95 O ATOM 1671 H ASP A 417 16.450 4.017 -7.754 1.00 0.00 H ATOM 1672 N VAL A 418 17.063 5.568 -10.659 1.00 28.92 N ATOM 1673 CA VAL A 418 17.683 6.487 -11.625 1.00 28.35 C ATOM 1674 C VAL A 418 19.056 5.973 -12.041 1.00 31.15 C ATOM 1675 O VAL A 418 19.363 5.950 -13.241 1.00 31.13 O ATOM 1676 CB VAL A 418 17.757 7.942 -11.079 1.00 32.32 C ATOM 1677 CG1 VAL A 418 18.688 8.817 -11.918 1.00 32.12 C ATOM 1678 CG2 VAL A 418 16.376 8.564 -11.010 1.00 32.66 C ATOM 1679 H VAL A 418 16.847 5.928 -9.707 1.00 0.00 H ATOM 1680 N LEU A 419 19.882 5.557 -11.053 1.00 25.54 N ATOM 1681 CA LEU A 419 21.223 5.055 -11.346 1.00 24.90 C ATOM 1682 C LEU A 419 21.182 3.831 -12.233 1.00 30.10 C ATOM 1683 O LEU A 419 21.930 3.767 -13.201 1.00 31.79 O ATOM 1684 CB LEU A 419 22.015 4.784 -10.060 1.00 24.62 C ATOM 1685 CG LEU A 419 23.483 4.320 -10.244 1.00 28.37 C ATOM 1686 CD1 LEU A 419 24.313 5.374 -10.998 1.00 27.97 C ATOM 1687 CD2 LEU A 419 24.114 4.029 -8.908 1.00 30.51 C ATOM 1688 H LEU A 419 19.556 5.595 -10.066 1.00 0.00 H ATOM 1689 N GLN A 420 20.308 2.867 -11.936 1.00 27.96 N ATOM 1690 CA GLN A 420 20.206 1.672 -12.795 1.00 29.35 C ATOM 1691 C GLN A 420 19.746 2.052 -14.213 1.00 35.03 C ATOM 1692 O GLN A 420 20.270 1.521 -15.193 1.00 35.44 O ATOM 1693 CB GLN A 420 19.278 0.618 -12.179 1.00 31.30 C ATOM 1694 CG GLN A 420 19.309 -0.709 -12.930 1.00 43.94 C ATOM 1695 CD GLN A 420 17.941 -1.189 -13.354 1.00 68.23 C ATOM 1696 OE1 GLN A 420 17.135 -0.446 -13.929 1.00 64.64 O ATOM 1697 NE2 GLN A 420 17.679 -2.470 -13.132 1.00 61.02 N ATOM 1698 HE22 GLN A 420 18.378 -3.067 -12.646 1.00 0.00 H ATOM 1699 HE21 GLN A 420 16.774 -2.877 -13.444 1.00 0.00 H ATOM 1700 H GLN A 420 19.698 2.958 -11.098 1.00 0.00 H ATOM 1701 N LYS A 421 18.806 3.006 -14.317 1.00 32.50 N ATOM 1702 CA LYS A 421 18.307 3.476 -15.612 1.00 32.84 C ATOM 1703 C LYS A 421 19.408 4.154 -16.431 1.00 35.16 C ATOM 1704 O LYS A 421 19.491 3.893 -17.625 1.00 33.21 O ATOM 1705 CB LYS A 421 17.086 4.382 -15.454 1.00 35.94 C ATOM 1706 CG LYS A 421 16.038 4.130 -16.523 1.00 53.68 C ATOM 1707 CD LYS A 421 14.818 4.995 -16.290 1.00 62.25 C ATOM 1708 CE LYS A 421 13.596 4.507 -17.028 1.00 61.37 C ATOM 1709 NZ LYS A 421 12.448 5.425 -16.821 1.00 56.21 N ATOM 1710 HZ1 LYS A 421 12.227 5.478 -15.806 1.00 0.00 H ATOM 1711 HZ2 LYS A 421 12.695 6.372 -17.173 1.00 0.00 H ATOM 1712 HZ3 LYS A 421 11.621 5.066 -17.339 1.00 0.00 H ATOM 1713 H LYS A 421 18.419 3.426 -13.448 1.00 0.00 H ATOM 1714 N LEU A 422 20.278 4.970 -15.784 1.00 31.61 N ATOM 1715 CA LEU A 422 21.418 5.625 -16.436 1.00 31.78 C ATOM 1716 C LEU A 422 22.442 4.607 -16.924 1.00 36.07 C ATOM 1717 O LEU A 422 23.067 4.845 -17.949 1.00 36.03 O ATOM 1718 CB LEU A 422 22.103 6.654 -15.508 1.00 31.18 C ATOM 1719 CG LEU A 422 21.387 7.996 -15.307 1.00 35.07 C ATOM 1720 CD1 LEU A 422 22.062 8.799 -14.234 1.00 33.76 C ATOM 1721 CD2 LEU A 422 21.309 8.811 -16.610 1.00 37.77 C ATOM 1722 H LEU A 422 20.129 5.141 -14.769 1.00 0.00 H ATOM 1723 N CYS A 423 22.628 3.485 -16.191 1.00 33.59 N ATOM 1724 CA CYS A 423 23.523 2.396 -16.603 1.00 34.73 C ATOM 1725 C CYS A 423 22.977 1.734 -17.873 1.00 39.93 C ATOM 1726 O CYS A 423 23.737 1.484 -18.802 1.00 39.65 O ATOM 1727 CB CYS A 423 23.713 1.381 -15.475 1.00 35.36 C ATOM 1728 SG CYS A 423 24.612 2.032 -14.045 1.00 38.09 S ATOM 1729 H CYS A 423 22.112 3.389 -15.293 1.00 0.00 H ATOM 1730 N LYS A 424 21.646 1.518 -17.937 1.00 38.56 N ATOM 1731 CA LYS A 424 20.988 0.923 -19.104 1.00 40.08 C ATOM 1732 C LYS A 424 21.023 1.865 -20.319 1.00 45.86 C ATOM 1733 O LYS A 424 21.164 1.394 -21.440 1.00 46.52 O ATOM 1734 CB LYS A 424 19.548 0.515 -18.774 1.00 42.05 C ATOM 1735 CG LYS A 424 19.451 -0.754 -17.943 1.00 52.37 C ATOM 1736 CD LYS A 424 18.002 -1.090 -17.614 1.00 64.45 C ATOM 1737 CE LYS A 424 17.876 -2.376 -16.832 1.00 76.17 C ATOM 1738 NZ LYS A 424 16.473 -2.627 -16.407 1.00 84.11 N ATOM 1739 HZ1 LYS A 424 16.149 -1.844 -15.804 1.00 0.00 H ATOM 1740 HZ2 LYS A 424 15.864 -2.694 -17.247 1.00 0.00 H ATOM 1741 HZ3 LYS A 424 16.428 -3.518 -15.873 1.00 0.00 H ATOM 1742 H LYS A 424 21.060 1.786 -17.121 1.00 0.00 H ATOM 1743 N ILE A 425 20.914 3.190 -20.092 1.00 42.27 N ATOM 1744 CA ILE A 425 20.948 4.190 -21.166 1.00 42.99 C ATOM 1745 C ILE A 425 22.385 4.379 -21.719 1.00 47.59 C ATOM 1746 O ILE A 425 22.574 4.339 -22.937 1.00 47.98 O ATOM 1747 CB ILE A 425 20.314 5.549 -20.711 1.00 45.26 C ATOM 1748 CG1 ILE A 425 18.814 5.406 -20.375 1.00 45.34 C ATOM 1749 CG2 ILE A 425 20.532 6.668 -21.751 1.00 47.14 C ATOM 1750 CD1 ILE A 425 18.292 6.439 -19.301 1.00 47.74 C ATOM 1751 H ILE A 425 20.801 3.518 -19.112 1.00 0.00 H ATOM 1752 N HIS A 426 23.373 4.619 -20.831 1.00 43.77 N ATOM 1753 CA HIS A 426 24.743 4.953 -21.225 1.00 44.56 C ATOM 1754 C HIS A 426 25.673 3.767 -21.452 1.00 47.93 C ATOM 1755 O HIS A 426 26.668 3.930 -22.158 1.00 48.60 O ATOM 1756 CB HIS A 426 25.358 5.943 -20.239 1.00 45.18 C ATOM 1757 CG HIS A 426 24.598 7.233 -20.203 1.00 48.86 C ATOM 1758 ND1 HIS A 426 24.625 8.116 -21.271 1.00 51.52 N ATOM 1759 CD2 HIS A 426 23.753 7.713 -19.264 1.00 50.25 C ATOM 1760 CE1 HIS A 426 23.821 9.110 -20.938 1.00 50.66 C ATOM 1761 NE2 HIS A 426 23.274 8.915 -19.740 1.00 50.28 N ATOM 1762 H HIS A 426 23.150 4.564 -19.817 1.00 0.00 H ATOM 1763 N GLN A 427 25.360 2.586 -20.894 1.00 43.21 N ATOM 1764 CA GLN A 427 26.156 1.373 -21.121 1.00 43.42 C ATOM 1765 C GLN A 427 25.239 0.190 -21.526 1.00 46.96 C ATOM 1766 O GLN A 427 25.184 -0.807 -20.801 1.00 45.83 O ATOM 1767 CB GLN A 427 27.031 1.047 -19.897 1.00 43.99 C ATOM 1768 CG GLN A 427 28.444 1.615 -20.006 1.00 64.57 C ATOM 1769 CD GLN A 427 28.753 2.686 -18.986 1.00 90.40 C ATOM 1770 OE1 GLN A 427 27.903 3.506 -18.606 1.00 88.44 O ATOM 1771 NE2 GLN A 427 30.002 2.730 -18.547 1.00 83.22 N ATOM 1772 HE22 GLN A 427 30.696 2.031 -18.881 1.00 0.00 H ATOM 1773 HE21 GLN A 427 30.289 3.464 -17.868 1.00 0.00 H ATOM 1774 H GLN A 427 24.523 2.529 -20.279 1.00 0.00 H ATOM 1775 N PRO A 428 24.493 0.260 -22.661 1.00 45.95 N ATOM 1776 CA PRO A 428 23.602 -0.867 -23.012 1.00 47.63 C ATOM 1777 C PRO A 428 24.352 -2.145 -23.371 1.00 53.39 C ATOM 1778 O PRO A 428 23.776 -3.233 -23.311 1.00 54.90 O ATOM 1779 CB PRO A 428 22.795 -0.331 -24.196 1.00 50.15 C ATOM 1780 CG PRO A 428 23.669 0.704 -24.808 1.00 54.40 C ATOM 1781 CD PRO A 428 24.400 1.342 -23.665 1.00 48.17 C ATOM 1782 N GLU A 429 25.642 -2.004 -23.721 1.00 49.30 N ATOM 1783 CA GLU A 429 26.519 -3.111 -24.090 1.00 50.79 C ATOM 1784 C GLU A 429 27.120 -3.813 -22.862 1.00 54.00 C ATOM 1785 O GLU A 429 27.597 -4.941 -23.000 1.00 55.94 O ATOM 1786 CB GLU A 429 27.612 -2.637 -25.065 1.00 52.92 C ATOM 1787 CG GLU A 429 27.102 -2.364 -26.473 1.00 65.30 C ATOM 1788 CD GLU A 429 28.145 -2.454 -27.576 1.00 92.00 C ATOM 1789 OE1 GLU A 429 27.925 -3.226 -28.538 1.00 84.28 O ATOM 1790 OE2 GLU A 429 29.178 -1.751 -27.484 1.00 90.07 O ATOM 1791 H GLU A 429 26.041 -1.044 -23.729 1.00 0.00 H ATOM 1792 N ASN A 430 27.097 -3.153 -21.674 1.00 47.30 N ATOM 1793 CA ASN A 430 27.635 -3.716 -20.435 1.00 46.11 C ATOM 1794 C ASN A 430 26.516 -3.899 -19.393 1.00 49.45 C ATOM 1795 O ASN A 430 26.312 -3.020 -18.538 1.00 47.52 O ATOM 1796 CB ASN A 430 28.800 -2.859 -19.900 1.00 43.84 C ATOM 1797 CG ASN A 430 29.535 -3.427 -18.706 1.00 57.03 C ATOM 1798 OD1 ASN A 430 29.424 -4.610 -18.353 1.00 53.08 O ATOM 1799 ND2 ASN A 430 30.326 -2.587 -18.063 1.00 45.81 N ATOM 1800 HD22 ASN A 430 30.402 -1.599 -18.379 1.00 0.00 H ATOM 1801 HD21 ASN A 430 30.873 -2.914 -17.241 1.00 0.00 H ATOM 1802 H ASN A 430 26.677 -2.202 -21.644 1.00 0.00 H ATOM 1803 N PRO A 431 25.762 -5.038 -19.439 1.00 46.80 N ATOM 1804 CA PRO A 431 24.668 -5.229 -18.464 1.00 46.33 C ATOM 1805 C PRO A 431 25.079 -5.347 -16.991 1.00 49.26 C ATOM 1806 O PRO A 431 24.214 -5.279 -16.119 1.00 49.61 O ATOM 1807 CB PRO A 431 23.976 -6.507 -18.953 1.00 49.88 C ATOM 1808 CG PRO A 431 25.021 -7.245 -19.708 1.00 55.50 C ATOM 1809 CD PRO A 431 25.839 -6.183 -20.376 1.00 50.40 C ATOM 1810 N GLN A 432 26.376 -5.544 -16.718 1.00 44.58 N ATOM 1811 CA GLN A 432 26.911 -5.681 -15.363 1.00 43.26 C ATOM 1812 C GLN A 432 27.419 -4.367 -14.759 1.00 43.82 C ATOM 1813 O GLN A 432 27.886 -4.382 -13.620 1.00 43.75 O ATOM 1814 CB GLN A 432 28.007 -6.759 -15.313 1.00 46.10 C ATOM 1815 CG GLN A 432 27.486 -8.201 -15.429 1.00 62.31 C ATOM 1816 CD GLN A 432 26.582 -8.590 -14.280 1.00 79.87 C ATOM 1817 OE1 GLN A 432 26.989 -8.617 -13.109 1.00 73.37 O ATOM 1818 NE2 GLN A 432 25.330 -8.888 -14.595 1.00 72.50 N ATOM 1819 HE22 GLN A 432 25.022 -8.855 -15.588 1.00 0.00 H ATOM 1820 HE21 GLN A 432 24.656 -9.155 -13.850 1.00 0.00 H ATOM 1821 H GLN A 432 27.041 -5.603 -17.515 1.00 0.00 H ATOM 1822 N HIS A 433 27.339 -3.242 -15.503 1.00 37.21 N ATOM 1823 CA HIS A 433 27.798 -1.923 -15.030 1.00 34.20 C ATOM 1824 C HIS A 433 27.156 -1.496 -13.706 1.00 34.55 C ATOM 1825 O HIS A 433 27.872 -1.027 -12.827 1.00 31.59 O ATOM 1826 CB HIS A 433 27.642 -0.833 -16.107 1.00 34.24 C ATOM 1827 CG HIS A 433 28.274 0.475 -15.736 1.00 36.21 C ATOM 1828 ND1 HIS A 433 29.637 0.588 -15.531 1.00 37.95 N ATOM 1829 CD2 HIS A 433 27.702 1.686 -15.535 1.00 36.20 C ATOM 1830 CE1 HIS A 433 29.849 1.851 -15.200 1.00 35.94 C ATOM 1831 NE2 HIS A 433 28.715 2.550 -15.189 1.00 35.25 N ATOM 1832 H HIS A 433 26.933 -3.310 -16.458 1.00 0.00 H ATOM 1833 N PHE A 434 25.839 -1.678 -13.549 1.00 32.76 N ATOM 1834 CA PHE A 434 25.149 -1.332 -12.288 1.00 32.83 C ATOM 1835 C PHE A 434 25.667 -2.197 -11.119 1.00 38.30 C ATOM 1836 O PHE A 434 25.920 -1.671 -10.031 1.00 36.75 O ATOM 1837 CB PHE A 434 23.617 -1.435 -12.433 1.00 34.13 C ATOM 1838 CG PHE A 434 22.827 -1.084 -11.189 1.00 34.26 C ATOM 1839 CD1 PHE A 434 22.819 0.220 -10.690 1.00 34.87 C ATOM 1840 CD2 PHE A 434 22.050 -2.044 -10.544 1.00 36.26 C ATOM 1841 CE1 PHE A 434 22.058 0.551 -9.561 1.00 34.76 C ATOM 1842 CE2 PHE A 434 21.295 -1.712 -9.410 1.00 37.73 C ATOM 1843 CZ PHE A 434 21.313 -0.420 -8.920 1.00 33.70 C ATOM 1844 H PHE A 434 25.286 -2.074 -14.336 1.00 0.00 H ATOM 1845 N ALA A 435 25.868 -3.506 -11.373 1.00 37.10 N ATOM 1846 CA ALA A 435 26.420 -4.480 -10.421 1.00 37.29 C ATOM 1847 C ALA A 435 27.838 -4.055 -9.984 1.00 41.64 C ATOM 1848 O ALA A 435 28.173 -4.161 -8.801 1.00 40.98 O ATOM 1849 CB ALA A 435 26.458 -5.864 -11.062 1.00 39.50 C ATOM 1850 H ALA A 435 25.612 -3.854 -12.319 1.00 0.00 H ATOM 1851 N CYS A 436 28.649 -3.528 -10.929 1.00 38.89 N ATOM 1852 CA CYS A 436 29.995 -3.018 -10.647 1.00 39.18 C ATOM 1853 C CYS A 436 29.947 -1.799 -9.718 1.00 38.10 C ATOM 1854 O CYS A 436 30.767 -1.698 -8.802 1.00 36.08 O ATOM 1855 CB CYS A 436 30.737 -2.703 -11.939 1.00 41.22 C ATOM 1856 SG CYS A 436 31.145 -4.162 -12.925 1.00 48.25 S ATOM 1857 H CYS A 436 28.300 -3.482 -11.908 1.00 0.00 H ATOM 1858 N LEU A 437 28.974 -0.891 -9.933 1.00 33.35 N ATOM 1859 CA LEU A 437 28.815 0.291 -9.086 1.00 32.07 C ATOM 1860 C LEU A 437 28.423 -0.137 -7.675 1.00 36.38 C ATOM 1861 O LEU A 437 28.959 0.405 -6.704 1.00 34.06 O ATOM 1862 CB LEU A 437 27.786 1.281 -9.671 1.00 31.32 C ATOM 1863 CG LEU A 437 28.140 1.888 -11.037 1.00 35.69 C ATOM 1864 CD1 LEU A 437 27.064 2.839 -11.492 1.00 36.25 C ATOM 1865 CD2 LEU A 437 29.486 2.623 -11.002 1.00 35.36 C ATOM 1866 H LEU A 437 28.316 -1.035 -10.725 1.00 0.00 H ATOM 1867 N LEU A 438 27.528 -1.147 -7.563 1.00 33.99 N ATOM 1868 CA LEU A 438 27.130 -1.701 -6.265 1.00 35.31 C ATOM 1869 C LEU A 438 28.349 -2.334 -5.575 1.00 42.13 C ATOM 1870 O LEU A 438 28.475 -2.232 -4.355 1.00 41.49 O ATOM 1871 CB LEU A 438 25.994 -2.733 -6.397 1.00 36.39 C ATOM 1872 CG LEU A 438 24.645 -2.253 -6.931 1.00 40.02 C ATOM 1873 CD1 LEU A 438 23.716 -3.425 -7.125 1.00 41.51 C ATOM 1874 CD2 LEU A 438 23.992 -1.231 -6.003 1.00 40.91 C ATOM 1875 H LEU A 438 27.108 -1.544 -8.428 1.00 0.00 H ATOM 1876 N GLY A 439 29.243 -2.932 -6.373 1.00 41.14 N ATOM 1877 CA GLY A 439 30.498 -3.526 -5.920 1.00 42.71 C ATOM 1878 C GLY A 439 31.395 -2.501 -5.255 1.00 47.55 C ATOM 1879 O GLY A 439 32.078 -2.799 -4.273 1.00 48.20 O ATOM 1880 H GLY A 439 29.028 -2.977 -7.390 1.00 0.00 H ATOM 1881 N ARG A 440 31.370 -1.278 -5.780 1.00 43.21 N ATOM 1882 CA ARG A 440 32.129 -0.161 -5.244 1.00 42.37 C ATOM 1883 C ARG A 440 31.524 0.323 -3.925 1.00 43.98 C ATOM 1884 O ARG A 440 32.278 0.684 -3.028 1.00 43.73 O ATOM 1885 CB ARG A 440 32.274 0.953 -6.303 1.00 43.49 C ATOM 1886 CG ARG A 440 33.488 0.821 -7.258 1.00 51.88 C ATOM 1887 CD ARG A 440 34.021 -0.578 -7.566 1.00 67.49 C ATOM 1888 NE ARG A 440 35.055 -0.987 -6.613 1.00 81.09 N ATOM 1889 CZ ARG A 440 35.195 -2.219 -6.129 1.00 94.74 C ATOM 1890 NH1 ARG A 440 34.373 -3.189 -6.513 1.00 84.92 N ATOM 1891 NH2 ARG A 440 36.162 -2.491 -5.264 1.00 76.13 N ATOM 1892 HE ARG A 440 35.728 -0.263 -6.291 1.00 0.00 H ATOM 1893 HH12 ARG A 440 34.488 -4.149 -6.131 1.00 0.00 H ATOM 1894 HH11 ARG A 440 33.615 -2.988 -7.196 1.00 0.00 H ATOM 1895 HH22 ARG A 440 36.268 -3.455 -4.888 1.00 0.00 H ATOM 1896 HH21 ARG A 440 36.815 -1.740 -4.961 1.00 0.00 H ATOM 1897 H ARG A 440 30.776 -1.113 -6.618 1.00 0.00 H ATOM 1898 N LEU A 441 30.183 0.255 -3.779 1.00 39.94 N ATOM 1899 CA LEU A 441 29.468 0.613 -2.547 1.00 40.00 C ATOM 1900 C LEU A 441 29.907 -0.258 -1.354 1.00 43.59 C ATOM 1901 O LEU A 441 30.157 0.272 -0.276 1.00 43.87 O ATOM 1902 CB LEU A 441 27.944 0.472 -2.713 1.00 40.65 C ATOM 1903 CG LEU A 441 27.165 1.597 -3.367 1.00 45.90 C ATOM 1904 CD1 LEU A 441 25.683 1.277 -3.355 1.00 46.73 C ATOM 1905 CD2 LEU A 441 27.381 2.917 -2.642 1.00 49.58 C ATOM 1906 H LEU A 441 29.621 -0.072 -4.591 1.00 0.00 H ATOM 1907 N THR A 442 29.961 -1.584 -1.538 1.00 39.43 N ATOM 1908 CA THR A 442 30.378 -2.510 -0.484 1.00 40.26 C ATOM 1909 C THR A 442 31.849 -2.276 -0.100 1.00 45.23 C ATOM 1910 O THR A 442 32.165 -2.276 1.088 1.00 44.73 O ATOM 1911 CB THR A 442 30.052 -3.947 -0.849 1.00 45.19 C ATOM 1912 OG1 THR A 442 30.540 -4.204 -2.161 1.00 44.67 O ATOM 1913 CG2 THR A 442 28.554 -4.240 -0.786 1.00 45.20 C ATOM 1914 HG1 THR A 442 31.520 -4.065 -2.181 1.00 0.00 H ATOM 1915 H THR A 442 29.696 -1.971 -2.466 1.00 0.00 H ATOM 1916 N GLU A 443 32.722 -2.004 -1.092 1.00 42.53 N ATOM 1917 CA GLU A 443 34.136 -1.690 -0.848 1.00 43.50 C ATOM 1918 C GLU A 443 34.254 -0.397 -0.007 1.00 43.89 C ATOM 1919 O GLU A 443 35.060 -0.368 0.920 1.00 43.12 O ATOM 1920 CB GLU A 443 34.951 -1.655 -2.162 1.00 45.60 C ATOM 1921 CG GLU A 443 36.325 -1.008 -2.046 1.00 61.48 C ATOM 1922 CD GLU A 443 37.562 -1.882 -2.113 1.00 89.80 C ATOM 1923 OE1 GLU A 443 38.310 -1.775 -3.114 1.00 78.10 O ATOM 1924 OE2 GLU A 443 37.839 -2.595 -1.122 1.00 92.05 O ATOM 1925 H GLU A 443 32.378 -2.017 -2.074 1.00 0.00 H ATOM 1926 N LEU A 444 33.383 0.619 -0.264 1.00 38.09 N ATOM 1927 CA LEU A 444 33.324 1.865 0.506 1.00 36.60 C ATOM 1928 C LEU A 444 33.022 1.603 1.975 1.00 40.11 C ATOM 1929 O LEU A 444 33.631 2.233 2.837 1.00 40.24 O ATOM 1930 CB LEU A 444 32.236 2.806 -0.029 1.00 35.61 C ATOM 1931 CG LEU A 444 32.652 3.960 -0.909 1.00 37.92 C ATOM 1932 CD1 LEU A 444 31.455 4.814 -1.231 1.00 36.85 C ATOM 1933 CD2 LEU A 444 33.734 4.798 -0.258 1.00 37.18 C ATOM 1934 H LEU A 444 32.719 0.503 -1.056 1.00 0.00 H ATOM 1935 N ARG A 445 32.077 0.683 2.259 1.00 36.88 N ATOM 1936 CA ARG A 445 31.675 0.316 3.620 1.00 37.05 C ATOM 1937 C ARG A 445 32.842 -0.218 4.473 1.00 39.60 C ATOM 1938 O ARG A 445 32.837 -0.016 5.684 1.00 38.20 O ATOM 1939 CB ARG A 445 30.538 -0.706 3.592 1.00 39.98 C ATOM 1940 CG ARG A 445 29.230 -0.157 3.049 1.00 49.57 C ATOM 1941 CD ARG A 445 28.261 0.133 4.167 1.00 62.65 C ATOM 1942 NE ARG A 445 26.934 0.457 3.651 1.00 73.93 N ATOM 1943 CZ ARG A 445 25.816 0.403 4.364 1.00 91.12 C ATOM 1944 NH1 ARG A 445 25.849 0.023 5.637 1.00 75.56 N ATOM 1945 NH2 ARG A 445 24.654 0.709 3.808 1.00 82.92 N ATOM 1946 HE ARG A 445 26.860 0.750 2.656 1.00 0.00 H ATOM 1947 HH12 ARG A 445 24.970 -0.017 6.191 1.00 0.00 H ATOM 1948 HH11 ARG A 445 26.754 -0.234 6.080 1.00 0.00 H ATOM 1949 HH22 ARG A 445 23.781 0.665 4.371 1.00 0.00 H ATOM 1950 HH21 ARG A 445 24.615 0.993 2.808 1.00 0.00 H ATOM 1951 H ARG A 445 31.605 0.205 1.465 1.00 0.00 H ATOM 1952 N THR A 446 33.840 -0.880 3.839 1.00 35.45 N ATOM 1953 CA THR A 446 35.011 -1.409 4.549 1.00 36.27 C ATOM 1954 C THR A 446 35.903 -0.294 5.094 1.00 38.65 C ATOM 1955 O THR A 446 36.590 -0.505 6.085 1.00 37.59 O ATOM 1956 CB THR A 446 35.811 -2.407 3.692 1.00 41.50 C ATOM 1957 OG1 THR A 446 36.557 -1.684 2.709 1.00 39.14 O ATOM 1958 CG2 THR A 446 34.933 -3.492 3.060 1.00 36.02 C ATOM 1959 HG1 THR A 446 35.934 -1.173 2.133 1.00 0.00 H ATOM 1960 H THR A 446 33.774 -1.019 2.810 1.00 0.00 H ATOM 1961 N PHE A 447 35.881 0.898 4.471 1.00 36.81 N ATOM 1962 CA PHE A 447 36.680 2.027 4.949 1.00 36.51 C ATOM 1963 C PHE A 447 36.202 2.559 6.286 1.00 43.53 C ATOM 1964 O PHE A 447 36.980 3.214 6.966 1.00 42.58 O ATOM 1965 CB PHE A 447 36.800 3.132 3.895 1.00 37.21 C ATOM 1966 CG PHE A 447 37.708 2.696 2.772 1.00 39.85 C ATOM 1967 CD1 PHE A 447 39.091 2.692 2.935 1.00 42.81 C ATOM 1968 CD2 PHE A 447 37.183 2.210 1.581 1.00 42.56 C ATOM 1969 CE1 PHE A 447 39.931 2.265 1.908 1.00 44.18 C ATOM 1970 CE2 PHE A 447 38.025 1.757 0.563 1.00 46.50 C ATOM 1971 CZ PHE A 447 39.394 1.782 0.736 1.00 44.99 C ATOM 1972 H PHE A 447 35.282 1.020 3.630 1.00 0.00 H ATOM 1973 N ASN A 448 34.973 2.214 6.709 1.00 43.74 N ATOM 1974 CA ASN A 448 34.434 2.650 7.998 1.00 45.64 C ATOM 1975 C ASN A 448 35.207 2.089 9.155 1.00 55.08 C ATOM 1976 O ASN A 448 35.687 2.862 9.982 1.00 55.48 O ATOM 1977 CB ASN A 448 32.974 2.294 8.132 1.00 46.09 C ATOM 1978 CG ASN A 448 32.078 3.259 7.433 1.00 56.34 C ATOM 1979 OD1 ASN A 448 32.256 4.473 7.492 1.00 48.66 O ATOM 1980 ND2 ASN A 448 31.071 2.731 6.794 1.00 47.43 N ATOM 1981 HD22 ASN A 448 30.956 1.698 6.768 1.00 0.00 H ATOM 1982 HD21 ASN A 448 30.383 3.343 6.311 1.00 0.00 H ATOM 1983 H ASN A 448 34.383 1.615 6.097 1.00 0.00 H ATOM 1984 N HIS A 449 35.348 0.747 9.202 1.00 54.83 N ATOM 1985 CA HIS A 449 36.102 0.045 10.231 1.00 56.60 C ATOM 1986 C HIS A 449 37.558 0.467 10.142 1.00 56.78 C ATOM 1987 O HIS A 449 38.113 0.885 11.156 1.00 56.51 O ATOM 1988 CB HIS A 449 35.949 -1.498 10.107 1.00 60.03 C ATOM 1989 CG HIS A 449 37.206 -2.264 10.419 1.00 65.51 C ATOM 1990 ND1 HIS A 449 37.892 -2.954 9.433 1.00 68.13 N ATOM 1991 CD2 HIS A 449 37.909 -2.346 11.575 1.00 68.80 C ATOM 1992 CE1 HIS A 449 38.956 -3.472 10.030 1.00 68.96 C ATOM 1993 NE2 HIS A 449 39.017 -3.123 11.316 1.00 69.66 N ATOM 1994 H HIS A 449 34.891 0.181 8.459 1.00 0.00 H ATOM 1995 N HIS A 450 38.172 0.346 8.939 1.00 50.89 N ATOM 1996 CA HIS A 450 39.574 0.683 8.702 1.00 49.47 C ATOM 1997 C HIS A 450 39.903 2.096 9.199 1.00 49.91 C ATOM 1998 O HIS A 450 40.824 2.252 9.991 1.00 49.84 O ATOM 1999 CB HIS A 450 39.949 0.523 7.215 1.00 49.96 C ATOM 2000 CG HIS A 450 39.880 -0.876 6.680 1.00 55.20 C ATOM 2001 ND1 HIS A 450 40.146 -1.982 7.477 1.00 59.02 N ATOM 2002 CD2 HIS A 450 39.641 -1.301 5.417 1.00 57.26 C ATOM 2003 CE1 HIS A 450 40.010 -3.036 6.687 1.00 59.30 C ATOM 2004 NE2 HIS A 450 39.704 -2.676 5.439 1.00 58.58 N ATOM 2005 H HIS A 450 37.612 -0.008 8.137 1.00 0.00 H ATOM 2006 N HIS A 451 39.104 3.100 8.789 1.00 43.06 N ATOM 2007 CA HIS A 451 39.277 4.501 9.180 1.00 41.31 C ATOM 2008 C HIS A 451 39.108 4.716 10.697 1.00 47.81 C ATOM 2009 O HIS A 451 39.871 5.486 11.287 1.00 46.96 O ATOM 2010 CB HIS A 451 38.289 5.380 8.413 1.00 39.52 C ATOM 2011 CG HIS A 451 38.657 6.821 8.393 1.00 41.26 C ATOM 2012 ND1 HIS A 451 39.572 7.314 7.486 1.00 42.15 N ATOM 2013 CD2 HIS A 451 38.214 7.833 9.169 1.00 42.43 C ATOM 2014 CE1 HIS A 451 39.663 8.607 7.740 1.00 41.33 C ATOM 2015 NE2 HIS A 451 38.863 8.962 8.748 1.00 41.86 N ATOM 2016 H HIS A 451 38.314 2.866 8.154 1.00 0.00 H ATOM 2017 N ALA A 452 38.102 4.053 11.314 1.00 46.31 N ATOM 2018 CA ALA A 452 37.820 4.156 12.753 1.00 47.47 C ATOM 2019 C ALA A 452 38.968 3.560 13.560 1.00 53.07 C ATOM 2020 O ALA A 452 39.397 4.153 14.552 1.00 53.34 O ATOM 2021 CB ALA A 452 36.512 3.453 13.096 1.00 48.97 C ATOM 2022 H ALA A 452 37.495 3.436 10.738 1.00 0.00 H ATOM 2023 N GLU A 453 39.500 2.418 13.092 1.00 50.60 N ATOM 2024 CA GLU A 453 40.631 1.712 13.692 1.00 51.71 C ATOM 2025 C GLU A 453 41.878 2.606 13.638 1.00 54.58 C ATOM 2026 O GLU A 453 42.593 2.706 14.638 1.00 55.27 O ATOM 2027 CB GLU A 453 40.863 0.390 12.945 1.00 53.97 C ATOM 2028 CG GLU A 453 41.756 -0.611 13.648 1.00 66.83 C ATOM 2029 CD GLU A 453 41.911 -1.887 12.847 1.00 90.61 C ATOM 2030 OE1 GLU A 453 42.665 -1.874 11.846 1.00 74.64 O ATOM 2031 OE2 GLU A 453 41.242 -2.888 13.192 1.00 93.70 O ATOM 2032 H GLU A 453 39.075 2.005 12.238 1.00 0.00 H ATOM 2033 N MET A 454 42.106 3.278 12.485 1.00 48.61 N ATOM 2034 CA MET A 454 43.229 4.201 12.250 1.00 47.93 C ATOM 2035 C MET A 454 43.185 5.373 13.248 1.00 54.43 C ATOM 2036 O MET A 454 44.207 5.746 13.819 1.00 53.68 O ATOM 2037 CB MET A 454 43.181 4.725 10.795 1.00 48.35 C ATOM 2038 CG MET A 454 44.287 5.709 10.449 1.00 50.50 C ATOM 2039 SD MET A 454 44.080 6.530 8.840 1.00 52.77 S ATOM 2040 CE MET A 454 42.730 7.623 9.188 1.00 48.56 C ATOM 2041 H MET A 454 41.435 3.131 11.704 1.00 0.00 H ATOM 2042 N LEU A 455 41.987 5.929 13.445 1.00 53.62 N ATOM 2043 CA LEU A 455 41.684 7.054 14.323 1.00 54.87 C ATOM 2044 C LEU A 455 41.943 6.768 15.793 1.00 62.10 C ATOM 2045 O LEU A 455 42.496 7.626 16.485 1.00 61.90 O ATOM 2046 CB LEU A 455 40.213 7.411 14.139 1.00 54.95 C ATOM 2047 CG LEU A 455 39.909 8.692 13.417 1.00 59.00 C ATOM 2048 CD1 LEU A 455 40.534 8.709 12.032 1.00 58.32 C ATOM 2049 CD2 LEU A 455 38.423 8.884 13.349 1.00 61.85 C ATOM 2050 H LEU A 455 41.189 5.518 12.919 1.00 0.00 H ATOM 2051 N MET A 456 41.511 5.582 16.270 1.00 61.25 N ATOM 2052 CA MET A 456 41.649 5.120 17.652 1.00 63.44 C ATOM 2053 C MET A 456 43.107 4.919 18.033 1.00 65.84 C ATOM 2054 O MET A 456 43.481 5.191 19.175 1.00 66.53 O ATOM 2055 CB MET A 456 40.880 3.804 17.845 1.00 67.92 C ATOM 2056 CG MET A 456 39.968 3.807 19.047 1.00 74.13 C ATOM 2057 SD MET A 456 38.509 4.851 18.799 1.00 78.69 S ATOM 2058 CE MET A 456 37.748 4.724 20.412 1.00 77.21 C ATOM 2059 H MET A 456 41.040 4.942 15.599 1.00 0.00 H ATOM 2060 N SER A 457 43.924 4.454 17.068 1.00 60.08 N ATOM 2061 CA SER A 457 45.345 4.164 17.236 1.00 60.12 C ATOM 2062 C SER A 457 46.217 5.388 17.547 1.00 62.87 C ATOM 2063 O SER A 457 47.265 5.230 18.170 1.00 63.77 O ATOM 2064 CB SER A 457 45.883 3.417 16.017 1.00 63.39 C ATOM 2065 OG SER A 457 46.170 4.284 14.932 1.00 67.94 O ATOM 2066 HG SER A 457 45.343 4.756 14.661 1.00 0.00 H ATOM 2067 H SER A 457 43.510 4.288 16.129 1.00 0.00 H ATOM 2068 N TRP A 458 45.799 6.595 17.112 1.00 57.45 N ATOM 2069 CA TRP A 458 46.570 7.824 17.329 1.00 55.93 C ATOM 2070 C TRP A 458 46.583 8.248 18.792 1.00 60.81 C ATOM 2071 O TRP A 458 45.529 8.528 19.373 1.00 59.85 O ATOM 2072 CB TRP A 458 46.103 8.974 16.415 1.00 52.68 C ATOM 2073 CG TRP A 458 46.089 8.667 14.939 1.00 52.42 C ATOM 2074 CD1 TRP A 458 46.778 7.681 14.291 1.00 55.63 C ATOM 2075 CD2 TRP A 458 45.369 9.383 13.926 1.00 50.90 C ATOM 2076 NE1 TRP A 458 46.488 7.704 12.947 1.00 54.11 N ATOM 2077 CE2 TRP A 458 45.636 8.747 12.692 1.00 54.43 C ATOM 2078 CE3 TRP A 458 44.492 10.483 13.945 1.00 51.28 C ATOM 2079 CZ2 TRP A 458 45.084 9.192 11.483 1.00 52.57 C ATOM 2080 CZ3 TRP A 458 43.921 10.904 12.751 1.00 51.82 C ATOM 2081 CH2 TRP A 458 44.221 10.266 11.537 1.00 52.16 C ATOM 2082 HE1 TRP A 458 46.856 7.038 12.238 1.00 0.00 H ATOM 2083 H TRP A 458 44.894 6.656 16.603 1.00 0.00 H ATOM 2084 N ARG A 459 47.788 8.252 19.390 1.00 58.96 N ATOM 2085 CA ARG A 459 48.017 8.633 20.783 1.00 60.10 C ATOM 2086 C ARG A 459 47.844 10.144 20.963 1.00 63.19 C ATOM 2087 O ARG A 459 48.102 10.909 20.033 1.00 60.47 O ATOM 2088 CB ARG A 459 49.413 8.211 21.215 1.00 62.03 C ATOM 2089 H ARG A 459 48.612 7.965 18.824 1.00 0.00 H ATOM 2090 N VAL A 460 47.429 10.563 22.174 1.00 61.24 N ATOM 2091 CA VAL A 460 47.184 11.954 22.577 1.00 61.19 C ATOM 2092 C VAL A 460 48.396 12.871 22.282 1.00 64.78 C ATOM 2093 O VAL A 460 48.202 14.026 21.896 1.00 63.74 O ATOM 2094 CB VAL A 460 46.717 12.022 24.064 1.00 66.93 C ATOM 2095 CG1 VAL A 460 46.442 13.457 24.517 1.00 66.85 C ATOM 2096 CG2 VAL A 460 45.481 11.151 24.290 1.00 67.34 C ATOM 2097 H VAL A 460 47.266 9.830 22.894 1.00 0.00 H ATOM 2098 N ASN A 461 49.631 12.338 22.424 1.00 61.86 N ATOM 2099 CA ASN A 461 50.874 13.079 22.189 1.00 61.34 C ATOM 2100 C ASN A 461 51.388 13.010 20.739 1.00 62.88 C ATOM 2101 O ASN A 461 52.344 13.718 20.409 1.00 63.38 O ATOM 2102 CB ASN A 461 51.963 12.656 23.185 1.00 63.83 C ATOM 2103 CG ASN A 461 51.828 13.319 24.537 1.00 89.67 C ATOM 2104 OD1 ASN A 461 51.677 14.543 24.652 1.00 83.70 O ATOM 2105 ND2 ASN A 461 51.905 12.528 25.596 1.00 85.08 N ATOM 2106 HD22 ASN A 461 52.032 11.503 25.472 1.00 0.00 H ATOM 2107 HD21 ASN A 461 51.839 12.931 26.552 1.00 0.00 H ATOM 2108 H ASN A 461 49.703 11.343 22.717 1.00 0.00 H ATOM 2109 N ASP A 462 50.758 12.186 19.878 1.00 56.58 N ATOM 2110 CA ASP A 462 51.134 12.064 18.462 1.00 54.57 C ATOM 2111 C ASP A 462 50.670 13.320 17.714 1.00 54.18 C ATOM 2112 O ASP A 462 49.653 13.915 18.087 1.00 53.37 O ATOM 2113 CB ASP A 462 50.503 10.806 17.839 1.00 56.42 C ATOM 2114 CG ASP A 462 51.063 10.423 16.485 1.00 66.60 C ATOM 2115 OD1 ASP A 462 51.934 9.527 16.434 1.00 68.05 O ATOM 2116 OD2 ASP A 462 50.615 11.000 15.475 1.00 69.52 O ATOM 2117 H ASP A 462 49.968 11.609 20.232 1.00 0.00 H ATOM 2118 N HIS A 463 51.414 13.729 16.672 1.00 47.46 N ATOM 2119 CA HIS A 463 51.073 14.917 15.881 1.00 44.89 C ATOM 2120 C HIS A 463 49.722 14.780 15.141 1.00 44.52 C ATOM 2121 O HIS A 463 49.063 15.788 14.898 1.00 43.89 O ATOM 2122 CB HIS A 463 52.217 15.310 14.927 1.00 45.20 C ATOM 2123 CG HIS A 463 52.324 14.451 13.708 1.00 48.14 C ATOM 2124 ND1 HIS A 463 51.728 14.819 12.517 1.00 48.87 N ATOM 2125 CD2 HIS A 463 52.954 13.265 13.535 1.00 50.14 C ATOM 2126 CE1 HIS A 463 52.015 13.853 11.658 1.00 48.30 C ATOM 2127 NE2 HIS A 463 52.750 12.895 12.225 1.00 49.28 N ATOM 2128 H HIS A 463 52.262 13.184 16.417 1.00 0.00 H ATOM 2129 N LYS A 464 49.310 13.540 14.827 1.00 38.27 N ATOM 2130 CA LYS A 464 48.054 13.233 14.139 1.00 36.62 C ATOM 2131 C LYS A 464 46.794 13.407 15.012 1.00 40.28 C ATOM 2132 O LYS A 464 45.698 13.533 14.460 1.00 39.68 O ATOM 2133 CB LYS A 464 48.086 11.816 13.548 1.00 38.22 C ATOM 2134 CG LYS A 464 49.104 11.609 12.424 1.00 37.33 C ATOM 2135 CD LYS A 464 49.062 10.194 11.863 1.00 44.56 C ATOM 2136 CE LYS A 464 49.830 9.200 12.717 1.00 59.11 C ATOM 2137 NZ LYS A 464 49.657 7.808 12.228 1.00 74.72 N ATOM 2138 HZ1 LYS A 464 48.649 7.555 12.256 1.00 0.00 H ATOM 2139 HZ2 LYS A 464 50.006 7.739 11.251 1.00 0.00 H ATOM 2140 HZ3 LYS A 464 50.196 7.159 12.836 1.00 0.00 H ATOM 2141 H LYS A 464 49.925 12.744 15.091 1.00 0.00 H ATOM 2142 N PHE A 465 46.933 13.375 16.352 1.00 37.43 N ATOM 2143 CA PHE A 465 45.797 13.498 17.282 1.00 38.00 C ATOM 2144 C PHE A 465 45.050 14.816 17.086 1.00 40.23 C ATOM 2145 O PHE A 465 45.617 15.892 17.306 1.00 38.88 O ATOM 2146 CB PHE A 465 46.231 13.294 18.741 1.00 41.71 C ATOM 2147 CG PHE A 465 45.090 13.349 19.731 1.00 44.38 C ATOM 2148 CD1 PHE A 465 44.176 12.305 19.823 1.00 48.42 C ATOM 2149 CD2 PHE A 465 44.919 14.451 20.559 1.00 47.43 C ATOM 2150 CE1 PHE A 465 43.115 12.360 20.736 1.00 50.57 C ATOM 2151 CE2 PHE A 465 43.860 14.505 21.471 1.00 51.46 C ATOM 2152 CZ PHE A 465 42.964 13.460 21.551 1.00 50.11 C ATOM 2153 H PHE A 465 47.887 13.258 16.748 1.00 0.00 H ATOM 2154 N THR A 466 43.804 14.722 16.579 1.00 35.96 N ATOM 2155 CA THR A 466 42.992 15.893 16.247 1.00 35.28 C ATOM 2156 C THR A 466 41.574 15.767 16.805 1.00 36.79 C ATOM 2157 O THR A 466 40.745 15.085 16.199 1.00 35.17 O ATOM 2158 CB THR A 466 43.039 16.149 14.734 1.00 41.69 C ATOM 2159 OG1 THR A 466 44.403 16.153 14.318 1.00 40.28 O ATOM 2160 CG2 THR A 466 42.363 17.466 14.336 1.00 40.62 C ATOM 2161 HG1 THR A 466 44.813 15.276 14.526 1.00 0.00 H ATOM 2162 H THR A 466 43.403 13.776 16.417 1.00 0.00 H ATOM 2163 N PRO A 467 41.278 16.442 17.942 1.00 34.70 N ATOM 2164 CA PRO A 467 39.940 16.317 18.554 1.00 34.93 C ATOM 2165 C PRO A 467 38.761 16.605 17.622 1.00 37.52 C ATOM 2166 O PRO A 467 37.763 15.893 17.705 1.00 37.57 O ATOM 2167 CB PRO A 467 39.998 17.285 19.741 1.00 37.87 C ATOM 2168 CG PRO A 467 41.439 17.363 20.089 1.00 42.47 C ATOM 2169 CD PRO A 467 42.175 17.266 18.781 1.00 36.97 C ATOM 2170 N LEU A 468 38.875 17.606 16.726 1.00 33.28 N ATOM 2171 CA LEU A 468 37.790 17.919 15.787 1.00 33.26 C ATOM 2172 C LEU A 468 37.514 16.767 14.815 1.00 38.63 C ATOM 2173 O LEU A 468 36.351 16.517 14.508 1.00 38.73 O ATOM 2174 CB LEU A 468 38.041 19.240 15.019 1.00 32.97 C ATOM 2175 CG LEU A 468 36.886 19.748 14.137 1.00 36.90 C ATOM 2176 CD1 LEU A 468 35.634 20.047 14.964 1.00 37.31 C ATOM 2177 CD2 LEU A 468 37.293 20.973 13.339 1.00 36.86 C ATOM 2178 H LEU A 468 39.750 18.168 16.699 1.00 0.00 H ATOM 2179 N LEU A 469 38.565 16.080 14.333 1.00 36.96 N ATOM 2180 CA LEU A 469 38.405 14.940 13.423 1.00 38.48 C ATOM 2181 C LEU A 469 37.644 13.797 14.097 1.00 45.17 C ATOM 2182 O LEU A 469 36.754 13.220 13.475 1.00 44.07 O ATOM 2183 CB LEU A 469 39.757 14.436 12.874 1.00 38.58 C ATOM 2184 CG LEU A 469 40.500 15.354 11.883 1.00 43.15 C ATOM 2185 CD1 LEU A 469 41.787 14.688 11.379 1.00 42.92 C ATOM 2186 CD2 LEU A 469 39.608 15.786 10.712 1.00 43.28 C ATOM 2187 H LEU A 469 39.524 16.367 14.615 1.00 0.00 H ATOM 2188 N CYS A 470 37.974 13.509 15.375 1.00 46.19 N ATOM 2189 CA CYS A 470 37.341 12.485 16.220 1.00 48.97 C ATOM 2190 C CYS A 470 35.842 12.711 16.360 1.00 55.28 C ATOM 2191 O CYS A 470 35.081 11.753 16.308 1.00 55.40 O ATOM 2192 CB CYS A 470 38.005 12.431 17.591 1.00 51.24 C ATOM 2193 SG CYS A 470 39.686 11.764 17.580 1.00 55.88 S ATOM 2194 H CYS A 470 38.746 14.062 15.800 1.00 0.00 H ATOM 2195 N GLU A 471 35.423 13.969 16.567 1.00 53.80 N ATOM 2196 CA GLU A 471 34.016 14.345 16.754 1.00 54.99 C ATOM 2197 C GLU A 471 33.157 14.023 15.534 1.00 60.91 C ATOM 2198 O GLU A 471 32.073 13.468 15.693 1.00 62.42 O ATOM 2199 CB GLU A 471 33.883 15.830 17.133 1.00 56.21 C ATOM 2200 CG GLU A 471 34.372 16.162 18.533 1.00 62.69 C ATOM 2201 CD GLU A 471 34.231 17.616 18.951 1.00 71.00 C ATOM 2202 OE1 GLU A 471 34.134 18.494 18.065 1.00 54.72 O ATOM 2203 OE2 GLU A 471 34.236 17.879 20.173 1.00 67.39 O ATOM 2204 H GLU A 471 36.138 14.723 16.597 1.00 0.00 H ATOM 2205 N ILE A 472 33.640 14.356 14.328 1.00 57.39 N ATOM 2206 CA ILE A 472 32.909 14.088 13.089 1.00 57.34 C ATOM 2207 C ILE A 472 32.865 12.592 12.774 1.00 60.92 C ATOM 2208 O ILE A 472 31.781 12.026 12.624 1.00 62.57 O ATOM 2209 CB ILE A 472 33.468 14.890 11.882 1.00 59.74 C ATOM 2210 CG1 ILE A 472 33.545 16.405 12.172 1.00 60.85 C ATOM 2211 CG2 ILE A 472 32.653 14.598 10.612 1.00 60.02 C ATOM 2212 CD1 ILE A 472 34.752 17.116 11.530 1.00 69.18 C ATOM 2213 H ILE A 472 34.568 14.822 14.271 1.00 0.00 H ATOM 2214 N TRP A 473 34.044 11.964 12.672 1.00 54.51 N ATOM 2215 CA TRP A 473 34.217 10.574 12.256 1.00 52.69 C ATOM 2216 C TRP A 473 33.911 9.477 13.286 1.00 59.93 C ATOM 2217 O TRP A 473 33.525 8.386 12.870 1.00 60.06 O ATOM 2218 CB TRP A 473 35.639 10.374 11.741 1.00 48.88 C ATOM 2219 CG TRP A 473 36.020 11.201 10.549 1.00 47.25 C ATOM 2220 CD1 TRP A 473 35.195 11.671 9.569 1.00 49.14 C ATOM 2221 CD2 TRP A 473 37.350 11.552 10.156 1.00 46.14 C ATOM 2222 NE1 TRP A 473 35.926 12.346 8.621 1.00 47.18 N ATOM 2223 CE2 TRP A 473 37.254 12.271 8.946 1.00 48.68 C ATOM 2224 CE3 TRP A 473 38.618 11.349 10.725 1.00 47.55 C ATOM 2225 CZ2 TRP A 473 38.377 12.763 8.281 1.00 47.82 C ATOM 2226 CZ3 TRP A 473 39.734 11.824 10.059 1.00 48.59 C ATOM 2227 CH2 TRP A 473 39.607 12.532 8.858 1.00 48.56 C ATOM 2228 HE1 TRP A 473 35.534 12.835 7.791 1.00 0.00 H ATOM 2229 H TRP A 473 34.900 12.506 12.906 1.00 0.00 H ATOM 2230 N ASP A 474 34.126 9.742 14.597 1.00 58.76 N ATOM 2231 CA ASP A 474 33.985 8.830 15.754 1.00 91.26 C ATOM 2232 C ASP A 474 35.232 7.974 15.942 1.00129.48 C ATOM 2233 O ASP A 474 36.056 8.281 16.801 1.00 96.73 O ATOM 2234 CB ASP A 474 32.701 7.970 15.733 1.00 93.72 C ATOM 2235 CG ASP A 474 32.551 7.018 16.909 1.00104.83 C ATOM 2236 OD1 ASP A 474 32.648 7.483 18.070 1.00106.11 O ATOM 2237 OD2 ASP A 474 32.313 5.814 16.670 1.00110.79 O ATOM 2238 H ASP A 474 34.429 10.712 14.819 1.00 0.00 H TER 2239 ASP A 474 HETATM 2240 O HOH 1 19.815 21.255 -6.216 1.00 42.78 O HETATM 2241 O HOH 2 24.265 7.939 5.966 1.00 33.85 O HETATM 2242 O HOH 3 25.917 21.837 -2.731 1.00 40.50 O HETATM 2243 O HOH 4 21.023 26.062 -10.180 1.00 49.19 O HETATM 2244 O HOH 5 30.714 6.694 6.599 1.00 31.84 O HETATM 2245 O HOH 6 27.471 2.367 1.696 1.00 52.19 O HETATM 2246 O HOH 7 14.053 9.227 8.839 1.00 50.84 O HETATM 2247 O HOH 8 50.571 17.316 11.887 1.00 42.00 O HETATM 2248 O HOH 9 16.490 18.551 1.369 1.00 36.09 O HETATM 2249 O HOH 10 42.258 2.996 -12.515 1.00 51.77 O HETATM 2250 O HOH 11 48.275 17.783 13.274 1.00 46.96 O HETATM 2251 O HOH 12 32.231 5.925 9.762 1.00 51.32 O HETATM 2252 O HOH 13 52.989 11.505 -6.467 1.00 46.80 O HETATM 2253 O HOH 14 15.368 10.916 -3.309 1.00 43.09 O HETATM 2254 O HOH 15 27.989 -7.590 -23.362 1.00 51.26 O HETATM 2255 O HOH 16 15.518 1.757 -13.116 1.00 43.79 O HETATM 2256 O HOH 17 23.047 15.052 -16.219 1.00 54.42 O HETATM 2257 O HOH 18 11.449 14.480 -9.017 1.00 54.98 O HETATM 2258 O HOH 19 30.292 25.752 6.083 1.00 64.44 O HETATM 2259 O HOH 20 21.589 -2.000 2.722 1.00 66.19 O HETATM 2260 O HOH 21 31.421 12.255 -3.073 1.00 35.77 O HETATM 2261 O HOH 22 10.395 9.721 3.063 1.00 40.56 O HETATM 2262 O HOH 23 38.385 19.047 0.827 1.00 45.40 O HETATM 2263 O HOH 24 50.819 22.408 6.685 1.00 44.82 O HETATM 2264 O HOH 25 31.564 -4.120 3.005 1.00 44.64 O HETATM 2265 O HOH 26 28.672 4.372 9.137 1.00 53.79 O HETATM 2266 O HOH 27 24.668 6.801 12.337 1.00 43.69 O HETATM 2267 O HOH 28 55.700 24.716 6.058 1.00 51.40 O HETATM 2268 O HOH 29 48.036 3.376 13.158 1.00 45.35 O HETATM 2269 O HOH 30 45.668 17.792 12.534 1.00 39.80 O HETATM 2270 O HOH 31 28.369 23.373 5.743 1.00 36.77 O HETATM 2271 O HOH 32 18.698 15.700 -15.031 1.00 45.17 O HETATM 2272 O HOH 33 32.780 16.924 -9.110 1.00 57.39 O HETATM 2273 O HOH 34 13.705 -0.523 -6.640 1.00 48.77 O HETATM 2274 O HOH 35 35.836 19.301 -0.140 1.00 54.90 O HETATM 2275 O HOH 36 13.468 7.091 -9.768 1.00 36.52 O HETATM 2276 O HOH 37 40.501 -1.210 -0.716 1.00 55.75 O HETATM 2277 O HOH 38 30.564 4.925 -16.573 1.00 58.00 O HETATM 2278 O HOH 39 12.019 10.861 9.504 1.00 48.22 O HETATM 2279 O HOH 40 23.940 -1.510 -18.408 1.00 41.48 O HETATM 2280 O HOH 41 31.334 8.538 9.150 1.00 38.34 O HETATM 2281 O HOH 42 37.644 24.237 6.936 1.00 46.52 O HETATM 2282 O HOH 43 24.087 -4.893 -13.353 1.00 38.95 O HETATM 2283 O HOH 44 19.955 1.654 15.354 1.00 61.07 O HETATM 2284 O HOH 45 13.306 3.546 -13.652 1.00 56.19 O HETATM 2285 O HOH 46 34.464 18.216 -2.189 1.00 51.54 O HETATM 2286 O HOH 47 49.238 15.956 20.137 1.00 62.06 O HETATM 2287 O HOH 48 31.228 14.373 -1.157 1.00 38.37 O HETATM 2288 O HOH 49 12.178 9.672 -9.379 1.00 46.20 O HETATM 2289 O HOH 50 51.496 8.503 4.957 1.00 54.25 O HETATM 2290 O HOH 51 21.989 25.282 -5.634 1.00 51.08 O HETATM 2291 O HOH 52 12.262 -1.631 1.045 1.00 88.10 O HETATM 2292 O HOH 53 35.971 6.821 -12.548 1.00 57.18 O HETATM 2293 O HOH 54 31.528 18.290 16.900 1.00 38.46 O HETATM 2294 O HOH 55 14.408 19.984 8.563 1.00 53.77 O HETATM 2295 O HOH 56 30.508 26.890 -6.041 1.00 59.42 O HETATM 2296 O HOH 57 31.269 12.897 -16.489 1.00 44.58 O HETATM 2297 O HOH 58 11.429 18.660 8.848 1.00 77.27 O HETATM 2298 O HOH 59 53.497 2.089 7.370 1.00 46.40 O HETATM 2299 O HOH 60 13.679 18.390 0.710 1.00 46.96 O HETATM 2300 O HOH 61 47.514 11.243 -8.324 1.00 51.44 O HETATM 2301 O HOH 62 24.726 2.472 0.806 1.00 48.42 O HETATM 2302 O HOH 63 9.985 10.414 11.347 1.00 63.88 O HETATM 2303 O HOH 64 22.495 1.212 1.730 1.00 43.79 O HETATM 2304 O HOH 65 38.182 7.115 -14.134 1.00 56.56 O HETATM 2305 O HOH 66 28.243 21.273 -1.502 1.00 33.25 O HETATM 2306 O HOH 67 48.525 16.759 17.624 1.00 59.22 O HETATM 2307 O HOH 68 26.038 8.152 -23.861 1.00 67.83 O HETATM 2308 O HOH 69 45.955 9.990 -10.812 1.00 66.77 O HETATM 2309 O HOH 70 54.956 10.978 11.651 1.00 49.87 O HETATM 2310 O HOH 71 9.418 8.098 -12.162 1.00 71.88 O HETATM 2311 O HOH 72 49.686 2.277 -2.998 1.00 45.57 O HETATM 2312 O HOH 73 41.767 5.335 6.822 1.00 49.35 O HETATM 2313 O HOH 74 29.713 0.223 7.824 1.00 56.89 O HETATM 2314 O HOH 75 19.955 24.393 1.627 1.00 57.49 O HETATM 2315 O HOH 76 48.098 5.423 11.156 1.00 30.16 O HETATM 2316 O HOH 77 39.580 21.399 0.093 1.00 39.37 O HETATM 2317 O HOH 78 16.654 -1.093 1.419 1.00 84.44 O HETATM 2318 O HOH 79 22.338 23.238 -12.836 1.00 59.36 O HETATM 2319 O HOH 80 23.815 -2.229 -15.838 1.00 37.20 O HETATM 2320 O HOH 81 17.664 3.396 16.232 1.00 62.30 O HETATM 2321 O HOH 82 40.781 30.423 -0.285 1.00 60.91 O HETATM 2322 O HOH 83 50.096 29.138 1.688 1.00 63.06 O HETATM 2323 O HOH 84 27.143 1.956 8.532 1.00 66.73 O HETATM 2324 O HOH 85 20.587 10.493 -19.656 1.00 53.32 O HETATM 2325 O HOH 86 46.267 16.860 -13.753 1.00 72.61 O HETATM 2326 O HOH 87 57.328 16.217 10.671 1.00 69.94 O HETATM 2327 O HOH 88 31.939 24.229 -2.023 1.00 57.68 O HETATM 2328 O HOH 89 7.705 8.051 -9.198 1.00 69.71 O HETATM 2329 O HOH 90 10.270 2.484 9.750 1.00 54.21 O HETATM 2330 O HOH 91 27.546 2.287 21.026 1.00 68.73 O HETATM 2331 O HOH 92 49.025 29.566 4.886 1.00 68.05 O HETATM 2332 O HOH 93 26.512 3.134 10.877 1.00 63.33 O HETATM 2333 O HOH 94 9.975 11.513 7.849 1.00 47.67 O HETATM 2334 O HOH 95 21.691 11.289 16.259 1.00 60.95 O HETATM 2335 O HOH 96 9.925 10.449 -1.549 1.00 65.60 O HETATM 2336 O HOH 97 22.324 19.255 -13.852 1.00 51.97 O HETATM 2337 O HOH 98 13.986 -3.907 1.498 1.00 69.99 O HETATM 2338 O HOH 99 17.202 -1.195 7.106 1.00 57.96 O HETATM 2339 O HOH 100 11.649 4.121 -20.766 1.00 65.57 O HETATM 2340 O HOH 101 11.495 -0.626 -8.625 1.00 66.27 O HETATM 2341 O HOH 102 42.350 25.501 -8.465 1.00 73.69 O HETATM 2342 O HOH 103 21.416 16.522 -14.615 1.00 50.92 O HETATM 2343 O HOH 104 8.792 6.235 13.128 1.00 62.30 O HETATM 2344 O HOH 105 42.197 -3.502 -0.456 1.00 60.66 O HETATM 2345 O HOH 106 28.831 -4.143 2.881 1.00 38.40 O HETATM 2346 O HOH 107 44.066 -4.166 4.155 1.00 85.23 O HETATM 2347 O HOH 108 18.450 17.699 -16.733 1.00 50.35 O HETATM 2348 O HOH 109 29.646 23.644 -0.644 1.00 44.10 O HETATM 2349 O HOH 110 44.833 15.730 -15.862 1.00 55.74 O HETATM 2350 O HOH 111 46.274 7.259 -18.889 1.00 62.47 O HETATM 2351 O HOH 112 8.486 4.163 20.214 1.00 65.60 O HETATM 2352 O HOH 113 29.540 22.774 24.185 1.00 55.91 O HETATM 2353 O HOH 114 25.855 22.876 17.809 1.00 47.06 O HETATM 2354 O HOH 115 17.513 26.590 11.120 1.00 71.85 O HETATM 2355 O HOH 116 30.419 17.459 19.586 1.00 50.41 O HETATM 2356 O HOH 117 30.074 17.068 14.978 1.00 39.15 O HETATM 2357 O HOH 118 22.781 18.717 21.630 1.00 56.74 O HETATM 2358 O HOH 119 24.638 19.973 24.128 1.00 52.66 O HETATM 2359 O HOH 120 25.818 21.954 25.563 1.00 71.36 O HETATM 2360 C4 UNN A 121 39.259 14.490 0.147 1.00 -0.05 C HETATM 2361 C5 UNN A 121 38.393 14.925 1.138 1.00 -0.06 C HETATM 2362 C6 UNN A 121 38.870 15.213 2.403 1.00 -0.06 C HETATM 2363 C1 UNN A 121 40.220 15.069 2.693 1.00 -0.05 C HETATM 2364 C2 UNN A 121 41.089 14.635 1.702 1.00 0.05 C HETATM 2365 C3 UNN A 121 40.636 14.336 0.416 1.00 0.00 C HETATM 2366 C7 UNN A 121 41.534 13.868 -0.665 1.00 0.06 C HETATM 2367 N8 UNN A 121 41.668 14.632 -1.726 1.00 -0.14 N HETATM 2368 O9 UNN A 121 42.565 13.944 -2.586 1.00 -0.16 O HETATM 2369 C10 UNN A 121 42.937 12.786 -2.003 1.00 0.17 C HETATM 2370 C12 UNN A 121 43.931 11.888 -2.821 1.00 0.03 C HETATM 2371 C13 UNN A 121 43.190 11.017 -3.773 1.00 -0.05 C HETATM 2372 H4 UNN A 121 43.904 10.397 -4.335 1.00 0.03 H HETATM 2373 H5 UNN A 121 42.618 11.643 -4.473 1.00 0.03 H HETATM 2374 H6 UNN A 121 42.501 10.367 -3.215 1.00 0.03 H HETATM 2375 C14 UNN A 121 44.891 12.722 -3.666 1.00 -0.05 C HETATM 2376 H14 UNN A 121 45.470 13.390 -3.011 1.00 0.03 H HETATM 2377 H15 UNN A 121 44.318 13.322 -4.388 1.00 0.03 H HETATM 2378 H16 UNN A 121 45.577 12.055 -4.208 1.00 0.03 H HETATM 2379 H13 UNN A 121 44.505 11.267 -2.117 1.00 0.05 H HETATM 2380 C11 UNN A 121 42.324 12.666 -0.783 1.00 0.09 C HETATM 2381 C15 UNN A 121 42.478 11.510 0.167 1.00 0.18 C HETATM 2382 O17 UNN A 121 43.424 10.734 0.055 1.00 -0.40 O HETATM 2383 N16 UNN A 121 41.535 11.374 1.129 1.00 -0.28 N HETATM 2384 C19 UNN A 121 41.554 10.280 2.128 1.00 0.07 C HETATM 2385 C20 UNN A 121 42.046 10.686 3.513 1.00 -0.02 C HETATM 2386 C22 UNN A 121 42.810 9.774 4.253 1.00 -0.05 C HETATM 2387 C23 UNN A 121 43.277 10.075 5.501 1.00 -0.06 C HETATM 2388 C26 UNN A 121 43.001 11.330 6.098 1.00 -0.02 C HETATM 2389 C27 UNN A 121 43.466 11.688 7.394 1.00 -0.06 C HETATM 2390 C28 UNN A 121 43.172 12.915 7.930 1.00 -0.06 C HETATM 2391 C29 UNN A 121 42.412 13.837 7.214 1.00 -0.06 C HETATM 2392 C30 UNN A 121 41.943 13.531 5.959 1.00 -0.06 C HETATM 2393 C25 UNN A 121 42.225 12.269 5.366 1.00 -0.03 C HETATM 2394 C24 UNN A 121 41.760 11.912 4.071 1.00 -0.05 C HETATM 2395 H11 UNN A 121 41.165 12.623 3.509 1.00 0.05 H HETATM 2396 H23 UNN A 121 41.352 14.259 5.415 1.00 0.06 H HETATM 2397 H22 UNN A 121 42.189 14.804 7.650 1.00 0.06 H HETATM 2398 H12 UNN A 121 43.534 13.170 8.919 1.00 0.06 H HETATM 2399 H21 UNN A 121 44.059 10.982 7.964 1.00 0.06 H HETATM 2400 H20 UNN A 121 43.867 9.344 6.042 1.00 0.06 H HETATM 2401 H10 UNN A 121 43.036 8.805 3.824 1.00 0.06 H HETATM 2402 C21 UNN A 121 40.177 9.633 2.173 1.00 -0.03 C HETATM 2403 H7 UNN A 121 39.867 9.359 1.154 1.00 0.03 H HETATM 2404 H8 UNN A 121 39.452 10.343 2.598 1.00 0.03 H HETATM 2405 H9 UNN A 121 40.217 8.730 2.800 1.00 0.03 H HETATM 2406 H19 UNN A 121 42.262 9.523 1.760 1.00 0.07 H HETATM 2407 H18 UNN A 121 40.792 12.042 1.167 1.00 0.19 H HETATM 2408 CL18 UNN A 121 42.753 14.476 2.113 1.00 -0.07 CL HETATM 2409 H17 UNN A 121 40.592 15.294 3.686 1.00 0.06 H HETATM 2410 H3 UNN A 121 38.187 15.553 3.172 1.00 0.06 H HETATM 2411 H2 UNN A 121 37.337 15.040 0.920 1.00 0.06 H HETATM 2412 H1 UNN A 121 38.876 14.266 -0.842 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 979 980 989 990 991 CONECT 989 979 CONECT 990 979 CONECT 991 979 CONECT 2360 2361 2365 2412 CONECT 2361 2360 2362 2411 CONECT 2362 2361 2363 2410 CONECT 2363 2362 2364 2409 CONECT 2364 2363 2365 2408 CONECT 2365 2360 2364 2366 CONECT 2366 2365 2367 2380 CONECT 2367 2366 2368 CONECT 2368 2367 2369 CONECT 2369 2368 2370 2380 CONECT 2370 2369 2371 2375 2379 CONECT 2371 2370 2372 2373 2374 CONECT 2372 2371 CONECT 2373 2371 CONECT 2374 2371 CONECT 2375 2370 2376 2377 2378 CONECT 2376 2375 CONECT 2377 2375 CONECT 2378 2375 CONECT 2379 2370 CONECT 2380 2366 2369 2381 CONECT 2381 2380 2382 2383 CONECT 2382 2381 CONECT 2383 2381 2384 2407 CONECT 2384 2383 2385 2402 2406 CONECT 2385 2384 2386 2394 CONECT 2386 2385 2387 2401 CONECT 2387 2386 2388 2400 CONECT 2388 2387 2389 2393 CONECT 2389 2388 2390 2399 CONECT 2390 2389 2391 2398 CONECT 2391 2390 2392 2397 CONECT 2392 2391 2393 2396 CONECT 2393 2388 2392 2394 CONECT 2394 2385 2393 2395 CONECT 2395 2394 CONECT 2396 2392 CONECT 2397 2391 CONECT 2398 2390 CONECT 2399 2389 CONECT 2400 2387 CONECT 2401 2386 CONECT 2402 2384 2403 2404 2405 CONECT 2403 2402 CONECT 2404 2402 CONECT 2405 2402 CONECT 2406 2384 CONECT 2407 2383 CONECT 2408 2364 CONECT 2409 2363 CONECT 2410 2362 CONECT 2411 2361 CONECT 2412 2360 MASTER 0 0 0 0 0 0 0 0 2410 2 61 18 END
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Protein Sequence Similarity
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RCSB PDB
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RCSB PDB
PDBbind
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5q0l
RCSB PDB
PDBbind
14aa, >5Q0L_2|Chains... at 100%
5q0m
RCSB PDB
PDBbind
14aa, >5Q0M_2|Chain... at 100%
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PDBbind
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5q0r
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5q0s
RCSB PDB
PDBbind
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5q0t
RCSB PDB
PDBbind
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5q0u
RCSB PDB
PDBbind
14aa, >5Q0U_2|Chains... at 100%
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
14aa, >5Q0Y_2|Chains... at 100%
5q0z
RCSB PDB
PDBbind
14aa, >5Q0Z_2|Chains... at 100%
5q10
RCSB PDB
PDBbind
14aa, >5Q10_2|Chain... at 100%
5q11
RCSB PDB
PDBbind
14aa, >5Q11_2|Chain... at 100%
5q12
RCSB PDB
PDBbind
14aa, >5Q12_2|Chain... at 100%
5q13
RCSB PDB
PDBbind
14aa, >5Q13_2|Chains... at 100%
5q14
RCSB PDB
PDBbind
14aa, >5Q14_2|Chains... at 100%
5q15
RCSB PDB
PDBbind
14aa, >5Q15_2|Chains... at 100%
5q16
RCSB PDB
PDBbind
14aa, >5Q16_2|Chains... at 100%
5q18
RCSB PDB
PDBbind
14aa, >5Q18_2|Chains... at 100%
5q19
RCSB PDB
PDBbind
14aa, >5Q19_2|Chains... at 100%
5q1a
RCSB PDB
PDBbind
14aa, >5Q1A_2|Chains... at 100%
5q1b
RCSB PDB
PDBbind
14aa, >5Q1B_2|Chains... at 100%
5q1c
RCSB PDB
PDBbind
14aa, >5Q1C_2|Chains... at 100%
5q1d
RCSB PDB
PDBbind
14aa, >5Q1D_2|Chains... at 100%
5q1e
RCSB PDB
PDBbind
14aa, >5Q1E_2|Chain... at 100%
5q1f
RCSB PDB
PDBbind
14aa, >5Q1F_2|Chains... at 100%
5q1g
RCSB PDB
PDBbind
14aa, >5Q1G_2|Chain... at 100%
5q1h
RCSB PDB
PDBbind
14aa, >5Q1H_2|Chains... at 100%
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
5q1i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bile acid receptor
Ligand Name
9O1
EC.Number
E.C.2.3.1.48
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=0.57uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Comput. Aided Mol. Des. Vol. : pp. -
Ligand Properties
Formula
C
2
5
H
2
3
ClN
2
O
2
Molecular Weight
418.915
Exact Mass
418.145
No. of atoms
53
No. of bonds
56
Polar Surface Area
55.13
LOGP Value
6.24 (
Computed with XLOGP3
)
7.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
C[C@H](c1ccc2c(c1)cccc2)NC(=O)c1c(onc1c1ccccc1Cl)C(C)C
InChI String
InChI=1S/C25H23ClN2O2/c1-15(2)24-22(23(28-30-24)20-10-6-7-11-21(20)26)25(29)27-16(3)18-13-12-17-8-4-5-9-19(17)14-18/h4-16H,1-3H3,(H,27,29)/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):
Q96RI1
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
9971
8648
ASD
Information of known allosteric effects of PDB entries
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