Browse entries in the PDBbind-CN Database
HEADER 3QGY_COMPLEX COMPND 3QGY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 149 MET VAL ILE ASP PRO SER GLU LEU THR PHE VAL GLN GLU SEQRES 2 B 149 ILE GLY SER GLY GLN PHE GLY LEU VAL HIS LEU GLY TYR SEQRES 3 B 149 TRP LEU ASN LYS ASP LYS VAL ALA ILE LYS THR ILE LYS SEQRES 4 B 149 GLU GLY SER MET SER GLU ASP ASP PHE ILE GLU GLU ALA SEQRES 5 B 149 GLU VAL MET MET LYS LEU SER HIS PRO LYS LEU VAL GLN SEQRES 6 B 149 LEU TYR GLY VAL CYS LEU GLU GLN ALA PRO ILE CYS LEU SEQRES 7 B 149 VAL PHE GLU PHE MET GLU HIS GLY CYS LEU SER ASP TYR SEQRES 8 B 149 LEU ARG THR GLN ARG GLY LEU PHE ALA ALA GLU THR LEU SEQRES 9 B 149 LEU GLY MET CYS LEU ASP VAL CYS GLU GLY MET ALA TYR SEQRES 10 B 149 LEU GLU GLU ALA CYS VAL ILE HIS ARG ASP LEU ALA ALA SEQRES 11 B 149 ARG ASN CYS LEU VAL GLY GLU ASN GLN VAL ILE LYS VAL SEQRES 12 B 149 SER ASP PHE GLY MET THR SEQRES 1 B 96 PRO VAL LYS TRP ALA SER PRO GLU VAL PHE SER PHE SER SEQRES 2 B 96 ARG TYR SER SER LYS SER ASP VAL TRP SER PHE GLY VAL SEQRES 3 B 96 LEU MET TRP GLU VAL PHE SER GLU GLY LYS ILE PRO TYR SEQRES 4 B 96 GLU ASN ARG SER ASN SER GLU VAL VAL GLU ASP ILE SER SEQRES 5 B 96 THR GLY PHE ARG LEU TYR LYS PRO ARG LEU ALA SER THR SEQRES 6 B 96 HIS VAL TYR GLN ILE MET ASN HIS CYS TRP LYS GLU ARG SEQRES 7 B 96 PRO GLU ASP ARG PRO ALA PHE SER ARG LEU LEU ARG GLN SEQRES 8 B 96 LEU ALA GLU ILE ALA HET L A 7O 54 ATOM 1 N MET B 356 53.333 52.866 -2.017 1.00 55.99 N ATOM 2 CA MET B 356 52.434 54.035 -1.807 1.00 55.77 C ATOM 3 C MET B 356 51.107 53.832 -2.515 1.00 55.02 C ATOM 4 O MET B 356 51.039 53.866 -3.741 1.00 55.48 O ATOM 5 CB MET B 356 53.094 55.305 -2.342 1.00 56.72 C ATOM 6 CG MET B 356 54.448 55.573 -1.748 1.00 58.73 C ATOM 7 SD MET B 356 55.385 56.799 -2.670 1.00 61.84 S ATOM 8 CE MET B 356 56.186 55.754 -3.946 1.00 60.88 C ATOM 9 HN3 MET B 356 53.511 52.746 -3.035 1.00 0.00 H ATOM 10 HN2 MET B 356 52.880 52.009 -1.640 1.00 0.00 H ATOM 11 HN1 MET B 356 54.233 53.030 -1.523 1.00 0.00 H ATOM 12 N VAL B 357 50.051 53.615 -1.746 1.00 54.04 N ATOM 13 CA VAL B 357 48.726 53.429 -2.323 1.00 52.75 C ATOM 14 C VAL B 357 47.949 54.694 -1.991 1.00 51.83 C ATOM 15 O VAL B 357 47.105 54.709 -1.099 1.00 50.59 O ATOM 16 CB VAL B 357 48.028 52.185 -1.727 1.00 53.39 C ATOM 17 CG1 VAL B 357 48.741 50.917 -2.191 1.00 53.74 C ATOM 18 CG2 VAL B 357 48.041 52.257 -0.212 1.00 53.74 C ATOM 19 H VAL B 357 50.169 53.577 -0.713 1.00 0.00 H ATOM 20 N ILE B 358 48.265 55.762 -2.716 1.00 51.14 N ATOM 21 CA ILE B 358 47.648 57.060 -2.496 1.00 50.73 C ATOM 22 C ILE B 358 46.185 57.124 -2.919 1.00 50.16 C ATOM 23 O ILE B 358 45.755 56.439 -3.855 1.00 49.49 O ATOM 24 CB ILE B 358 48.482 58.175 -3.164 1.00 51.06 C ATOM 25 CG1 ILE B 358 48.565 57.948 -4.675 1.00 52.18 C ATOM 26 CG2 ILE B 358 49.876 58.182 -2.561 1.00 50.85 C ATOM 27 CD1 ILE B 358 49.504 58.912 -5.413 1.00 52.25 C ATOM 28 H ILE B 358 48.978 55.666 -3.467 1.00 0.00 H ATOM 29 N ASP B 359 45.445 57.980 -2.211 1.00 49.58 N ATOM 30 CA ASP B 359 43.997 58.157 -2.359 1.00 48.43 C ATOM 31 C ASP B 359 43.625 59.647 -2.200 1.00 47.40 C ATOM 32 O ASP B 359 44.120 60.301 -1.289 1.00 47.85 O ATOM 33 CB ASP B 359 43.368 57.349 -1.223 1.00 49.65 C ATOM 34 CG ASP B 359 42.062 56.738 -1.583 1.00 50.12 C ATOM 35 OD1 ASP B 359 41.131 57.499 -1.913 1.00 50.76 O ATOM 36 OD2 ASP B 359 41.975 55.492 -1.514 1.00 49.92 O ATOM 37 H ASP B 359 45.932 58.565 -1.502 1.00 0.00 H ATOM 38 N PRO B 360 42.779 60.209 -3.086 1.00 46.35 N ATOM 39 CA PRO B 360 42.417 61.628 -2.929 1.00 45.39 C ATOM 40 C PRO B 360 41.038 61.848 -2.316 1.00 43.78 C ATOM 41 O PRO B 360 40.732 61.317 -1.257 1.00 44.20 O ATOM 42 CB PRO B 360 42.490 62.166 -4.356 1.00 45.71 C ATOM 43 CG PRO B 360 41.960 61.040 -5.132 1.00 46.30 C ATOM 44 CD PRO B 360 42.642 59.810 -4.494 1.00 46.73 C ATOM 45 N SER B 361 40.215 62.648 -2.995 1.00 42.39 N ATOM 46 CA SER B 361 38.861 62.951 -2.540 1.00 38.55 C ATOM 47 C SER B 361 37.857 61.920 -3.013 1.00 36.78 C ATOM 48 O SER B 361 36.731 62.241 -3.412 1.00 34.44 O ATOM 49 CB SER B 361 38.397 64.314 -3.019 1.00 39.94 C ATOM 50 OG SER B 361 38.003 64.241 -4.382 1.00 40.22 O ATOM 51 HG SER B 361 37.261 63.592 -4.476 1.00 0.00 H ATOM 52 H SER B 361 40.551 63.073 -3.883 1.00 0.00 H ATOM 53 N GLU B 362 38.278 60.667 -2.952 1.00 34.18 N ATOM 54 CA GLU B 362 37.450 59.557 -3.361 1.00 31.48 C ATOM 55 C GLU B 362 36.766 59.005 -2.121 1.00 29.58 C ATOM 56 O GLU B 362 36.126 57.965 -2.166 1.00 27.44 O ATOM 57 CB GLU B 362 38.339 58.513 -4.019 1.00 31.72 C ATOM 58 CG GLU B 362 39.297 59.157 -4.986 1.00 31.67 C ATOM 59 CD GLU B 362 40.234 58.183 -5.647 1.00 32.13 C ATOM 60 OE1 GLU B 362 40.674 57.215 -4.986 1.00 32.51 O ATOM 61 OE2 GLU B 362 40.553 58.407 -6.830 1.00 31.54 O ATOM 62 H GLU B 362 39.237 60.475 -2.598 1.00 0.00 H ATOM 63 N LEU B 363 36.894 59.745 -1.023 1.00 28.70 N ATOM 64 CA LEU B 363 36.317 59.377 0.267 1.00 28.86 C ATOM 65 C LEU B 363 35.013 60.092 0.617 1.00 28.12 C ATOM 66 O LEU B 363 34.839 61.279 0.349 1.00 28.59 O ATOM 67 CB LEU B 363 37.328 59.644 1.386 1.00 28.83 C ATOM 68 CG LEU B 363 38.414 58.623 1.726 1.00 30.32 C ATOM 69 CD1 LEU B 363 38.446 57.477 0.731 1.00 30.12 C ATOM 70 CD2 LEU B 363 39.742 59.349 1.775 1.00 30.02 C ATOM 71 H LEU B 363 37.433 60.632 -1.087 1.00 0.00 H ATOM 72 N THR B 364 34.103 59.340 1.224 1.00 27.71 N ATOM 73 CA THR B 364 32.816 59.853 1.673 1.00 27.81 C ATOM 74 C THR B 364 32.800 59.603 3.173 1.00 27.61 C ATOM 75 O THR B 364 32.628 58.471 3.603 1.00 28.19 O ATOM 76 CB THR B 364 31.622 59.085 1.046 1.00 28.28 C ATOM 77 OG1 THR B 364 31.646 59.214 -0.382 1.00 28.36 O ATOM 78 CG2 THR B 364 30.314 59.637 1.570 1.00 26.98 C ATOM 79 HG1 THR B 364 30.880 58.720 -0.770 1.00 0.00 H ATOM 80 H THR B 364 34.320 58.336 1.387 1.00 0.00 H ATOM 81 N PHE B 365 32.999 60.653 3.963 1.00 28.55 N ATOM 82 CA PHE B 365 33.017 60.526 5.420 1.00 29.35 C ATOM 83 C PHE B 365 31.598 60.479 5.922 1.00 30.18 C ATOM 84 O PHE B 365 30.885 61.474 5.844 1.00 31.21 O ATOM 85 CB PHE B 365 33.741 61.713 6.065 1.00 28.93 C ATOM 86 CG PHE B 365 35.219 61.735 5.801 1.00 28.58 C ATOM 87 CD1 PHE B 365 35.709 62.049 4.540 1.00 28.74 C ATOM 88 CD2 PHE B 365 36.118 61.432 6.811 1.00 28.52 C ATOM 89 CE1 PHE B 365 37.070 62.043 4.281 1.00 29.00 C ATOM 90 CE2 PHE B 365 37.481 61.423 6.564 1.00 28.34 C ATOM 91 CZ PHE B 365 37.959 61.735 5.299 1.00 28.80 C ATOM 92 H PHE B 365 33.146 61.589 3.534 1.00 0.00 H ATOM 93 N VAL B 366 31.181 59.335 6.451 1.00 30.90 N ATOM 94 CA VAL B 366 29.814 59.225 6.920 1.00 32.12 C ATOM 95 C VAL B 366 29.606 59.604 8.375 1.00 34.17 C ATOM 96 O VAL B 366 28.837 60.522 8.677 1.00 35.11 O ATOM 97 CB VAL B 366 29.263 57.808 6.692 1.00 31.79 C ATOM 98 CG1 VAL B 366 27.876 57.684 7.292 1.00 30.92 C ATOM 99 CG2 VAL B 366 29.217 57.513 5.205 1.00 31.08 C ATOM 100 H VAL B 366 31.829 58.525 6.528 1.00 0.00 H ATOM 101 N GLN B 367 30.301 58.923 9.275 1.00 34.81 N ATOM 102 CA GLN B 367 30.115 59.180 10.693 1.00 36.14 C ATOM 103 C GLN B 367 31.370 58.942 11.508 1.00 35.90 C ATOM 104 O GLN B 367 32.113 57.998 11.244 1.00 35.27 O ATOM 105 CB GLN B 367 29.004 58.266 11.205 1.00 37.83 C ATOM 106 CG GLN B 367 28.847 58.248 12.675 1.00 40.32 C ATOM 107 CD GLN B 367 27.866 57.200 13.128 1.00 41.79 C ATOM 108 OE1 GLN B 367 27.451 57.189 14.290 1.00 43.12 O ATOM 109 NE2 GLN B 367 27.488 56.305 12.217 1.00 42.26 N ATOM 110 HE22 GLN B 367 27.866 56.356 11.250 1.00 0.00 H ATOM 111 HE21 GLN B 367 26.815 55.555 12.473 1.00 0.00 H ATOM 112 H GLN B 367 30.983 58.201 8.965 1.00 0.00 H ATOM 113 N GLU B 368 31.603 59.797 12.500 1.00 35.40 N ATOM 114 CA GLU B 368 32.761 59.638 13.377 1.00 35.30 C ATOM 115 C GLU B 368 32.486 58.432 14.270 1.00 36.05 C ATOM 116 O GLU B 368 31.411 58.309 14.859 1.00 36.15 O ATOM 117 CB GLU B 368 32.980 60.882 14.237 1.00 34.40 C ATOM 118 CG GLU B 368 34.082 60.720 15.282 1.00 33.75 C ATOM 119 CD GLU B 368 34.284 61.967 16.111 1.00 33.91 C ATOM 120 OE1 GLU B 368 34.603 61.845 17.308 1.00 33.62 O ATOM 121 OE2 GLU B 368 34.134 63.078 15.566 1.00 34.37 O ATOM 122 H GLU B 368 30.950 60.592 12.654 1.00 0.00 H ATOM 123 N ILE B 369 33.457 57.536 14.362 1.00 36.46 N ATOM 124 CA ILE B 369 33.292 56.331 15.163 1.00 37.31 C ATOM 125 C ILE B 369 34.405 56.181 16.183 1.00 37.62 C ATOM 126 O ILE B 369 34.359 55.309 17.039 1.00 37.35 O ATOM 127 CB ILE B 369 33.255 55.072 14.259 1.00 37.00 C ATOM 128 CG1 ILE B 369 34.535 54.982 13.420 1.00 36.80 C ATOM 129 CG2 ILE B 369 32.036 55.132 13.348 1.00 36.87 C ATOM 130 CD1 ILE B 369 34.581 53.791 12.474 1.00 37.13 C ATOM 131 H ILE B 369 34.351 57.695 13.855 1.00 0.00 H ATOM 132 N GLY B 370 35.405 57.044 16.086 1.00 38.97 N ATOM 133 CA GLY B 370 36.519 56.977 17.004 1.00 40.08 C ATOM 134 C GLY B 370 37.182 58.324 17.165 1.00 41.19 C ATOM 135 O GLY B 370 37.204 59.130 16.237 1.00 40.23 O ATOM 136 H GLY B 370 35.388 57.774 15.345 1.00 0.00 H ATOM 137 N SER B 371 37.721 58.555 18.357 1.00 43.21 N ATOM 138 CA SER B 371 38.399 59.797 18.702 1.00 45.00 C ATOM 139 C SER B 371 39.339 59.541 19.869 1.00 46.13 C ATOM 140 O SER B 371 38.987 58.849 20.822 1.00 46.94 O ATOM 141 CB SER B 371 37.381 60.864 19.096 1.00 44.87 C ATOM 142 OG SER B 371 38.029 62.067 19.470 1.00 45.84 O ATOM 143 HG SER B 371 38.624 61.894 20.242 1.00 0.00 H ATOM 144 H SER B 371 37.655 57.811 19.081 1.00 0.00 H ATOM 145 N GLY B 372 40.534 60.106 19.794 1.00 47.32 N ATOM 146 CA GLY B 372 41.513 59.902 20.842 1.00 48.37 C ATOM 147 C GLY B 372 42.686 60.833 20.617 1.00 49.03 C ATOM 148 O GLY B 372 42.658 61.625 19.685 1.00 48.73 O ATOM 149 H GLY B 372 40.772 60.702 18.975 1.00 0.00 H ATOM 150 N GLN B 373 43.769 60.676 21.362 1.00 49.77 N ATOM 151 CA GLN B 373 44.865 61.658 21.298 1.00 50.21 C ATOM 152 C GLN B 373 45.504 62.103 19.958 1.00 48.84 C ATOM 153 O GLN B 373 45.667 63.258 19.721 1.00 49.48 O ATOM 154 CB GLN B 373 45.971 61.183 22.229 1.00 51.98 C ATOM 155 CG GLN B 373 45.623 61.593 23.690 1.00 54.12 C ATOM 156 CD GLN B 373 46.643 61.146 24.710 1.00 55.31 C ATOM 157 OE1 GLN B 373 46.507 61.420 25.912 1.00 56.49 O ATOM 158 NE2 GLN B 373 47.679 60.450 24.240 1.00 55.03 N ATOM 159 HE22 GLN B 373 47.749 60.245 23.223 1.00 0.00 H ATOM 160 HE21 GLN B 373 48.417 60.112 24.891 1.00 0.00 H ATOM 161 H GLN B 373 43.846 59.855 21.996 1.00 0.00 H ATOM 162 N PHE B 374 45.766 61.121 19.105 1.00 46.80 N ATOM 163 CA PHE B 374 46.470 61.257 17.829 1.00 45.74 C ATOM 164 C PHE B 374 45.627 61.274 16.570 1.00 43.84 C ATOM 165 O PHE B 374 46.115 61.474 15.438 1.00 43.69 O ATOM 166 CB PHE B 374 47.478 60.115 17.810 1.00 46.99 C ATOM 167 CG PHE B 374 48.330 60.130 19.025 1.00 47.54 C ATOM 168 CD1 PHE B 374 49.230 61.173 19.170 1.00 47.86 C ATOM 169 CD2 PHE B 374 48.342 59.093 19.961 1.00 47.93 C ATOM 170 CE1 PHE B 374 50.154 61.191 20.182 1.00 48.13 C ATOM 171 CE2 PHE B 374 49.283 59.100 21.000 1.00 48.23 C ATOM 172 CZ PHE B 374 50.198 60.149 21.095 1.00 48.13 C ATOM 173 H PHE B 374 45.442 60.168 19.367 1.00 0.00 H ATOM 174 N GLY B 375 44.336 61.050 16.739 1.00 41.55 N ATOM 175 CA GLY B 375 43.460 61.014 15.578 1.00 39.21 C ATOM 176 C GLY B 375 41.980 60.689 15.726 1.00 37.38 C ATOM 177 O GLY B 375 41.484 60.297 16.791 1.00 37.87 O ATOM 178 H GLY B 375 43.950 60.901 17.693 1.00 0.00 H ATOM 179 N LEU B 376 41.268 60.894 14.620 1.00 34.13 N ATOM 180 CA LEU B 376 39.838 60.639 14.531 1.00 31.20 C ATOM 181 C LEU B 376 39.640 59.437 13.623 1.00 29.56 C ATOM 182 O LEU B 376 40.489 59.142 12.787 1.00 28.70 O ATOM 183 CB LEU B 376 39.099 61.843 13.935 1.00 31.15 C ATOM 184 CG LEU B 376 38.502 62.897 14.865 1.00 31.70 C ATOM 185 CD1 LEU B 376 37.547 63.766 14.075 1.00 30.83 C ATOM 186 CD2 LEU B 376 37.751 62.223 16.002 1.00 31.37 C ATOM 187 H LEU B 376 41.759 61.255 13.777 1.00 0.00 H ATOM 188 N VAL B 377 38.525 58.740 13.800 1.00 28.30 N ATOM 189 CA VAL B 377 38.207 57.581 12.978 1.00 27.69 C ATOM 190 C VAL B 377 36.785 57.721 12.454 1.00 26.72 C ATOM 191 O VAL B 377 35.846 57.953 13.211 1.00 26.72 O ATOM 192 CB VAL B 377 38.344 56.256 13.771 1.00 27.75 C ATOM 193 CG1 VAL B 377 38.027 55.075 12.875 1.00 27.36 C ATOM 194 CG2 VAL B 377 39.761 56.123 14.313 1.00 28.00 C ATOM 195 H VAL B 377 37.860 59.029 14.546 1.00 0.00 H ATOM 196 N HIS B 378 36.641 57.589 11.142 1.00 26.37 N ATOM 197 CA HIS B 378 35.341 57.705 10.491 1.00 26.45 C ATOM 198 C HIS B 378 34.931 56.489 9.673 1.00 25.42 C ATOM 199 O HIS B 378 35.765 55.804 9.081 1.00 24.68 O ATOM 200 CB HIS B 378 35.315 58.907 9.539 1.00 27.18 C ATOM 201 CG HIS B 378 35.503 60.230 10.217 1.00 28.53 C ATOM 202 ND1 HIS B 378 36.738 60.713 10.563 1.00 29.27 N ATOM 203 CD2 HIS B 378 34.596 61.153 10.618 1.00 28.81 C ATOM 204 CE1 HIS B 378 36.593 61.892 11.157 1.00 30.37 C ATOM 205 NE2 HIS B 378 35.309 62.176 11.201 1.00 30.07 N ATOM 206 H HIS B 378 37.481 57.397 10.560 1.00 0.00 H ATOM 207 N LEU B 379 33.630 56.227 9.664 1.00 24.45 N ATOM 208 CA LEU B 379 33.065 55.164 8.846 1.00 23.75 C ATOM 209 C LEU B 379 32.814 55.949 7.561 1.00 22.46 C ATOM 210 O LEU B 379 32.409 57.120 7.602 1.00 21.72 O ATOM 211 CB LEU B 379 31.731 54.673 9.425 1.00 24.66 C ATOM 212 CG LEU B 379 30.900 53.603 8.688 1.00 25.10 C ATOM 213 CD1 LEU B 379 29.684 53.253 9.537 1.00 24.90 C ATOM 214 CD2 LEU B 379 30.428 54.098 7.335 1.00 25.28 C ATOM 215 H LEU B 379 32.996 56.798 10.259 1.00 0.00 H ATOM 216 N GLY B 380 33.071 55.337 6.420 1.00 22.03 N ATOM 217 CA GLY B 380 32.854 56.052 5.179 1.00 20.80 C ATOM 218 C GLY B 380 32.950 55.105 4.021 1.00 20.88 C ATOM 219 O GLY B 380 32.862 53.888 4.207 1.00 21.10 O ATOM 220 H GLY B 380 33.423 54.358 6.412 1.00 0.00 H ATOM 221 N TYR B 381 33.124 55.655 2.825 1.00 20.90 N ATOM 222 CA TYR B 381 33.246 54.833 1.633 1.00 20.42 C ATOM 223 C TYR B 381 34.396 55.303 0.767 1.00 20.08 C ATOM 224 O TYR B 381 34.791 56.459 0.816 1.00 19.07 O ATOM 225 CB TYR B 381 31.959 54.871 0.795 1.00 21.28 C ATOM 226 CG TYR B 381 30.781 54.171 1.431 1.00 22.15 C ATOM 227 CD1 TYR B 381 29.896 54.860 2.268 1.00 22.51 C ATOM 228 CD2 TYR B 381 30.576 52.809 1.239 1.00 22.49 C ATOM 229 CE1 TYR B 381 28.833 54.207 2.901 1.00 22.72 C ATOM 230 CE2 TYR B 381 29.518 52.145 1.865 1.00 23.19 C ATOM 231 CZ TYR B 381 28.649 52.848 2.694 1.00 23.51 C ATOM 232 OH TYR B 381 27.592 52.191 3.296 1.00 25.85 O ATOM 233 HH TYR B 381 27.941 51.465 3.871 1.00 0.00 H ATOM 234 H TYR B 381 33.174 56.690 2.740 1.00 0.00 H ATOM 235 N TRP B 382 34.956 54.380 0.002 1.00 19.02 N ATOM 236 CA TRP B 382 36.009 54.721 -0.938 1.00 19.52 C ATOM 237 C TRP B 382 35.273 54.557 -2.263 1.00 19.34 C ATOM 238 O TRP B 382 34.627 53.531 -2.487 1.00 18.51 O ATOM 239 CB TRP B 382 37.191 53.750 -0.842 1.00 18.91 C ATOM 240 CG TRP B 382 38.209 54.015 -1.904 1.00 17.95 C ATOM 241 CD1 TRP B 382 38.604 55.235 -2.358 1.00 17.04 C ATOM 242 CD2 TRP B 382 38.967 53.045 -2.636 1.00 16.30 C ATOM 243 NE1 TRP B 382 39.555 55.092 -3.327 1.00 17.31 N ATOM 244 CE2 TRP B 382 39.802 53.759 -3.519 1.00 16.03 C ATOM 245 CE3 TRP B 382 39.018 51.644 -2.633 1.00 15.91 C ATOM 246 CZ2 TRP B 382 40.694 53.120 -4.395 1.00 15.70 C ATOM 247 CZ3 TRP B 382 39.902 51.006 -3.505 1.00 15.76 C ATOM 248 CH2 TRP B 382 40.729 51.747 -4.376 1.00 15.13 C ATOM 249 HE1 TRP B 382 40.018 55.871 -3.838 1.00 0.00 H ATOM 250 H TRP B 382 34.636 53.393 0.075 1.00 0.00 H ATOM 251 N LEU B 383 35.348 55.585 -3.108 1.00 21.63 N ATOM 252 CA LEU B 383 34.667 55.626 -4.405 1.00 22.20 C ATOM 253 C LEU B 383 33.206 55.199 -4.292 1.00 23.67 C ATOM 254 O LEU B 383 32.657 54.618 -5.228 1.00 23.18 O ATOM 255 CB LEU B 383 35.376 54.739 -5.435 1.00 24.68 C ATOM 256 CG LEU B 383 36.759 55.126 -5.991 1.00 26.62 C ATOM 257 CD1 LEU B 383 37.191 54.036 -6.960 1.00 26.47 C ATOM 258 CD2 LEU B 383 36.726 56.501 -6.700 1.00 27.29 C ATOM 259 H LEU B 383 35.923 56.406 -2.831 1.00 0.00 H ATOM 260 N ASN B 384 32.591 55.490 -3.145 1.00 22.88 N ATOM 261 CA ASN B 384 31.195 55.146 -2.886 1.00 23.49 C ATOM 262 C ASN B 384 30.897 53.694 -3.191 1.00 23.51 C ATOM 263 O ASN B 384 29.781 53.361 -3.590 1.00 21.74 O ATOM 264 CB ASN B 384 30.263 56.035 -3.713 1.00 23.80 C ATOM 265 CG ASN B 384 30.347 57.480 -3.307 1.00 24.53 C ATOM 266 OD1 ASN B 384 30.169 57.807 -2.134 1.00 25.20 O ATOM 267 ND2 ASN B 384 30.628 58.359 -4.267 1.00 23.92 N ATOM 268 HD22 ASN B 384 30.770 58.034 -5.245 1.00 0.00 H ATOM 269 HD21 ASN B 384 30.705 59.371 -4.039 1.00 0.00 H ATOM 270 H ASN B 384 33.128 55.983 -2.403 1.00 0.00 H ATOM 271 N LYS B 385 31.895 52.830 -3.022 1.00 23.31 N ATOM 272 CA LYS B 385 31.695 51.409 -3.286 1.00 22.89 C ATOM 273 C LYS B 385 32.014 50.544 -2.068 1.00 23.08 C ATOM 274 O LYS B 385 31.202 49.714 -1.641 1.00 23.05 O ATOM 275 CB LYS B 385 32.555 50.935 -4.464 1.00 23.34 C ATOM 276 CG LYS B 385 32.092 49.556 -4.985 1.00 24.60 C ATOM 277 CD LYS B 385 33.221 48.623 -5.276 1.00 25.07 C ATOM 278 CE LYS B 385 32.742 47.187 -5.195 1.00 25.89 C ATOM 279 NZ LYS B 385 32.421 46.776 -3.801 1.00 26.05 N ATOM 280 HZ1 LYS B 385 33.272 46.866 -3.210 1.00 0.00 H ATOM 281 HZ2 LYS B 385 31.669 47.388 -3.425 1.00 0.00 H ATOM 282 HZ3 LYS B 385 32.098 45.787 -3.798 1.00 0.00 H ATOM 283 H LYS B 385 32.824 53.170 -2.700 1.00 0.00 H ATOM 284 N ASP B 386 33.204 50.738 -1.514 1.00 22.10 N ATOM 285 CA ASP B 386 33.628 49.950 -0.365 1.00 22.94 C ATOM 286 C ASP B 386 33.442 50.692 0.935 1.00 22.76 C ATOM 287 O ASP B 386 33.810 51.863 1.038 1.00 21.75 O ATOM 288 CB ASP B 386 35.109 49.569 -0.486 1.00 21.75 C ATOM 289 CG ASP B 386 35.417 48.829 -1.767 1.00 21.68 C ATOM 290 OD1 ASP B 386 34.915 47.695 -1.937 1.00 21.05 O ATOM 291 OD2 ASP B 386 36.163 49.392 -2.602 1.00 21.57 O ATOM 292 H ASP B 386 33.841 51.461 -1.905 1.00 0.00 H ATOM 293 N LYS B 387 32.884 50.001 1.925 1.00 22.15 N ATOM 294 CA LYS B 387 32.694 50.591 3.241 1.00 24.12 C ATOM 295 C LYS B 387 34.106 50.641 3.825 1.00 24.05 C ATOM 296 O LYS B 387 34.857 49.668 3.745 1.00 24.12 O ATOM 297 CB LYS B 387 31.789 49.707 4.092 1.00 25.86 C ATOM 298 CG LYS B 387 31.130 50.434 5.226 1.00 27.74 C ATOM 299 CD LYS B 387 29.881 49.682 5.660 1.00 29.10 C ATOM 300 CE LYS B 387 29.057 50.463 6.707 1.00 30.57 C ATOM 301 NZ LYS B 387 27.953 49.598 7.234 1.00 32.09 N ATOM 302 HZ1 LYS B 387 27.332 49.314 6.449 1.00 0.00 H ATOM 303 HZ2 LYS B 387 28.360 48.751 7.679 1.00 0.00 H ATOM 304 HZ3 LYS B 387 27.403 50.130 7.938 1.00 0.00 H ATOM 305 H LYS B 387 32.578 49.022 1.755 1.00 0.00 H ATOM 306 N VAL B 388 34.472 51.773 4.413 1.00 23.48 N ATOM 307 CA VAL B 388 35.817 51.932 4.943 1.00 22.32 C ATOM 308 C VAL B 388 35.868 52.645 6.293 1.00 21.20 C ATOM 309 O VAL B 388 34.912 53.307 6.709 1.00 19.13 O ATOM 310 CB VAL B 388 36.680 52.708 3.914 1.00 22.65 C ATOM 311 CG1 VAL B 388 36.772 51.928 2.628 1.00 23.63 C ATOM 312 CG2 VAL B 388 36.053 54.067 3.627 1.00 23.98 C ATOM 313 H VAL B 388 33.790 52.554 4.496 1.00 0.00 H ATOM 314 N ALA B 389 36.998 52.480 6.972 1.00 20.46 N ATOM 315 CA ALA B 389 37.257 53.107 8.257 1.00 20.30 C ATOM 316 C ALA B 389 38.412 54.065 7.976 1.00 19.61 C ATOM 317 O ALA B 389 39.511 53.630 7.655 1.00 19.01 O ATOM 318 CB ALA B 389 37.666 52.054 9.268 1.00 19.69 C ATOM 319 H ALA B 389 37.735 51.871 6.563 1.00 0.00 H ATOM 320 N ILE B 390 38.162 55.365 8.085 1.00 19.98 N ATOM 321 CA ILE B 390 39.183 56.369 7.792 1.00 20.50 C ATOM 322 C ILE B 390 39.771 57.014 9.052 1.00 21.95 C ATOM 323 O ILE B 390 39.044 57.600 9.857 1.00 20.37 O ATOM 324 CB ILE B 390 38.590 57.496 6.885 1.00 20.37 C ATOM 325 CG1 ILE B 390 37.910 56.876 5.662 1.00 19.10 C ATOM 326 CG2 ILE B 390 39.685 58.471 6.455 1.00 19.21 C ATOM 327 CD1 ILE B 390 36.675 57.634 5.206 1.00 19.77 C ATOM 328 H ILE B 390 37.216 55.676 8.386 1.00 0.00 H ATOM 329 N LYS B 391 41.087 56.903 9.223 1.00 23.71 N ATOM 330 CA LYS B 391 41.732 57.521 10.372 1.00 25.49 C ATOM 331 C LYS B 391 42.455 58.781 9.918 1.00 27.36 C ATOM 332 O LYS B 391 43.405 58.711 9.130 1.00 28.07 O ATOM 333 CB LYS B 391 42.746 56.577 11.030 1.00 25.95 C ATOM 334 CG LYS B 391 43.461 57.216 12.262 1.00 25.99 C ATOM 335 CD LYS B 391 44.774 56.498 12.642 1.00 26.16 C ATOM 336 CE LYS B 391 44.493 55.158 13.281 1.00 26.66 C ATOM 337 NZ LYS B 391 45.695 54.524 13.904 1.00 27.52 N ATOM 338 HZ1 LYS B 391 46.423 54.374 13.176 1.00 0.00 H ATOM 339 HZ2 LYS B 391 46.069 55.149 14.646 1.00 0.00 H ATOM 340 HZ3 LYS B 391 45.426 53.610 14.321 1.00 0.00 H ATOM 341 H LYS B 391 41.656 56.373 8.533 1.00 0.00 H ATOM 342 N THR B 392 41.997 59.932 10.397 1.00 28.19 N ATOM 343 CA THR B 392 42.640 61.190 10.047 1.00 30.26 C ATOM 344 C THR B 392 43.540 61.583 11.217 1.00 32.67 C ATOM 345 O THR B 392 43.211 61.325 12.376 1.00 30.52 O ATOM 346 CB THR B 392 41.605 62.333 9.763 1.00 28.86 C ATOM 347 OG1 THR B 392 40.741 62.508 10.889 1.00 28.36 O ATOM 348 CG2 THR B 392 40.769 62.016 8.543 1.00 28.58 C ATOM 349 HG1 THR B 392 40.253 61.664 11.063 1.00 0.00 H ATOM 350 H THR B 392 41.171 59.934 11.028 1.00 0.00 H ATOM 351 N ILE B 393 44.687 62.180 10.900 1.00 36.47 N ATOM 352 CA ILE B 393 45.644 62.620 11.912 1.00 40.63 C ATOM 353 C ILE B 393 45.018 63.758 12.721 1.00 43.41 C ATOM 354 O ILE B 393 44.187 64.501 12.205 1.00 43.52 O ATOM 355 CB ILE B 393 46.961 63.115 11.248 1.00 40.29 C ATOM 356 CG1 ILE B 393 48.039 63.329 12.316 1.00 40.46 C ATOM 357 CG2 ILE B 393 46.701 64.399 10.465 1.00 39.74 C ATOM 358 CD1 ILE B 393 49.384 63.738 11.756 1.00 40.51 C ATOM 359 H ILE B 393 44.909 62.339 9.897 1.00 0.00 H ATOM 360 N LYS B 394 45.401 63.895 13.985 1.00 47.65 N ATOM 361 CA LYS B 394 44.830 64.955 14.804 1.00 52.23 C ATOM 362 C LYS B 394 45.613 66.254 14.648 1.00 55.37 C ATOM 363 O LYS B 394 46.833 66.269 14.783 1.00 55.73 O ATOM 364 CB LYS B 394 44.779 64.534 16.280 1.00 52.47 C ATOM 365 CG LYS B 394 44.009 65.521 17.194 1.00 53.08 C ATOM 366 CD LYS B 394 43.246 64.788 18.318 1.00 53.48 C ATOM 367 CE LYS B 394 41.784 64.488 17.911 1.00 53.79 C ATOM 368 NZ LYS B 394 41.031 63.753 18.968 1.00 53.86 N ATOM 369 HZ1 LYS B 394 41.501 62.845 19.160 1.00 0.00 H ATOM 370 HZ2 LYS B 394 41.009 64.324 19.837 1.00 0.00 H ATOM 371 HZ3 LYS B 394 40.059 63.579 18.642 1.00 0.00 H ATOM 372 H LYS B 394 46.107 63.247 14.389 1.00 0.00 H ATOM 373 N GLU B 395 44.871 67.323 14.344 1.00 59.24 N ATOM 374 CA GLU B 395 45.352 68.699 14.140 1.00 62.38 C ATOM 375 C GLU B 395 46.847 68.960 14.033 1.00 63.54 C ATOM 376 O GLU B 395 47.290 69.729 13.180 1.00 63.88 O ATOM 377 CB GLU B 395 44.767 69.619 15.226 1.00 63.69 C ATOM 378 CG GLU B 395 44.767 69.038 16.657 1.00 64.98 C ATOM 379 CD GLU B 395 44.586 70.111 17.722 1.00 65.82 C ATOM 380 OE1 GLU B 395 43.598 70.877 17.646 1.00 66.63 O ATOM 381 OE2 GLU B 395 45.434 70.189 18.640 1.00 66.52 O ATOM 382 H GLU B 395 43.848 67.167 14.241 1.00 0.00 H ATOM 383 N GLY B 396 47.613 68.344 14.922 1.00 64.90 N ATOM 384 CA GLY B 396 49.049 68.512 14.925 1.00 66.39 C ATOM 385 C GLY B 396 49.524 68.207 16.324 1.00 67.47 C ATOM 386 O GLY B 396 49.663 69.106 17.145 1.00 68.14 O ATOM 387 H GLY B 396 47.172 67.726 15.633 1.00 0.00 H ATOM 388 N SER B 397 49.749 66.929 16.600 1.00 68.59 N ATOM 389 CA SER B 397 50.204 66.479 17.911 1.00 69.47 C ATOM 390 C SER B 397 51.017 65.217 17.680 1.00 70.03 C ATOM 391 O SER B 397 51.292 64.445 18.600 1.00 70.08 O ATOM 392 CB SER B 397 49.009 66.166 18.813 1.00 69.41 C ATOM 393 OG SER B 397 48.298 65.037 18.337 1.00 69.29 O ATOM 394 HG SER B 397 48.900 64.251 18.322 1.00 0.00 H ATOM 395 H SER B 397 49.595 66.221 15.854 1.00 0.00 H ATOM 396 N MET B 398 51.382 65.023 16.421 1.00 70.61 N ATOM 397 CA MET B 398 52.170 63.885 15.980 1.00 71.01 C ATOM 398 C MET B 398 52.623 64.214 14.570 1.00 71.09 C ATOM 399 O MET B 398 51.802 64.521 13.707 1.00 71.15 O ATOM 400 CB MET B 398 51.320 62.618 15.972 1.00 71.50 C ATOM 401 CG MET B 398 51.873 61.496 15.076 1.00 72.23 C ATOM 402 SD MET B 398 50.987 59.923 15.269 1.00 72.12 S ATOM 403 CE MET B 398 49.305 60.470 15.181 1.00 72.54 C ATOM 404 H MET B 398 51.089 65.723 15.710 1.00 0.00 H ATOM 405 N SER B 399 53.930 64.168 14.343 1.00 71.04 N ATOM 406 CA SER B 399 54.472 64.477 13.033 1.00 70.79 C ATOM 407 C SER B 399 53.736 63.656 11.984 1.00 70.70 C ATOM 408 O SER B 399 53.370 62.503 12.230 1.00 70.10 O ATOM 409 CB SER B 399 55.971 64.170 12.995 1.00 70.67 C ATOM 410 OG SER B 399 56.217 62.789 13.152 1.00 70.20 O ATOM 411 HG SER B 399 55.856 62.488 14.023 1.00 0.00 H ATOM 412 H SER B 399 54.575 63.907 15.116 1.00 0.00 H ATOM 413 N GLU B 400 53.499 64.262 10.825 1.00 70.39 N ATOM 414 CA GLU B 400 52.810 63.571 9.745 1.00 70.50 C ATOM 415 C GLU B 400 53.650 62.368 9.355 1.00 70.27 C ATOM 416 O GLU B 400 53.144 61.372 8.866 1.00 69.80 O ATOM 417 CB GLU B 400 52.614 64.510 8.552 1.00 70.76 C ATOM 418 CG GLU B 400 51.768 65.753 8.855 1.00 71.12 C ATOM 419 CD GLU B 400 51.164 66.365 7.603 1.00 71.18 C ATOM 420 OE1 GLU B 400 51.891 66.501 6.597 1.00 71.10 O ATOM 421 OE2 GLU B 400 49.966 66.717 7.624 1.00 71.38 O ATOM 422 H GLU B 400 53.811 65.245 10.688 1.00 0.00 H ATOM 423 N ASP B 401 54.955 62.491 9.552 1.00 70.45 N ATOM 424 CA ASP B 401 55.865 61.396 9.267 1.00 70.63 C ATOM 425 C ASP B 401 55.717 60.231 10.218 1.00 70.07 C ATOM 426 O ASP B 401 56.096 59.149 9.945 1.00 69.88 O ATOM 427 CB ASP B 401 57.314 61.901 9.217 1.00 71.68 C ATOM 428 CG ASP B 401 58.316 60.963 9.922 1.00 72.57 C ATOM 429 OD1 ASP B 401 57.926 59.891 10.423 1.00 73.31 O ATOM 430 OD2 ASP B 401 59.522 61.297 9.989 1.00 72.97 O ATOM 431 H ASP B 401 55.334 63.388 9.917 1.00 0.00 H ATOM 432 N ASP B 402 55.143 60.397 11.373 1.00 69.49 N ATOM 433 CA ASP B 402 55.016 59.212 12.231 1.00 69.09 C ATOM 434 C ASP B 402 53.655 58.598 12.029 1.00 68.44 C ATOM 435 O ASP B 402 53.486 57.392 12.190 1.00 67.89 O ATOM 436 CB ASP B 402 55.254 59.528 13.720 1.00 69.43 C ATOM 437 CG ASP B 402 56.640 60.093 13.976 1.00 69.50 C ATOM 438 OD1 ASP B 402 57.616 59.603 13.372 1.00 69.43 O ATOM 439 OD2 ASP B 402 56.743 61.039 14.780 1.00 69.75 O ATOM 440 H ASP B 402 54.790 61.327 11.675 1.00 0.00 H ATOM 441 N PHE B 403 52.722 59.441 11.603 1.00 68.06 N ATOM 442 CA PHE B 403 51.369 59.035 11.314 1.00 67.97 C ATOM 443 C PHE B 403 51.423 58.133 10.086 1.00 67.97 C ATOM 444 O PHE B 403 50.734 57.117 10.016 1.00 67.74 O ATOM 445 CB PHE B 403 50.534 60.274 11.011 1.00 67.71 C ATOM 446 CG PHE B 403 49.073 59.994 10.801 1.00 67.60 C ATOM 447 CD1 PHE B 403 48.235 59.743 11.882 1.00 67.68 C ATOM 448 CD2 PHE B 403 48.530 59.995 9.523 1.00 67.15 C ATOM 449 CE1 PHE B 403 46.877 59.498 11.689 1.00 67.56 C ATOM 450 CE2 PHE B 403 47.178 59.751 9.322 1.00 67.06 C ATOM 451 CZ PHE B 403 46.351 59.503 10.405 1.00 67.25 C ATOM 452 H PHE B 403 52.979 60.440 11.472 1.00 0.00 H ATOM 453 N ILE B 404 52.257 58.524 9.126 1.00 68.02 N ATOM 454 CA ILE B 404 52.422 57.797 7.877 1.00 68.39 C ATOM 455 C ILE B 404 53.084 56.438 8.061 1.00 68.44 C ATOM 456 O ILE B 404 52.797 55.499 7.319 1.00 68.08 O ATOM 457 CB ILE B 404 53.277 58.607 6.879 1.00 68.69 C ATOM 458 CG1 ILE B 404 52.547 59.889 6.474 1.00 68.99 C ATOM 459 CG2 ILE B 404 53.587 57.765 5.652 1.00 69.00 C ATOM 460 CD1 ILE B 404 53.388 60.818 5.607 1.00 69.09 C ATOM 461 H ILE B 404 52.816 59.388 9.275 1.00 0.00 H ATOM 462 N GLU B 405 53.966 56.327 9.047 1.00 68.38 N ATOM 463 CA GLU B 405 54.670 55.076 9.268 1.00 68.56 C ATOM 464 C GLU B 405 53.759 53.898 9.586 1.00 67.88 C ATOM 465 O GLU B 405 54.132 52.751 9.357 1.00 67.55 O ATOM 466 CB GLU B 405 55.719 55.241 10.367 1.00 69.56 C ATOM 467 CG GLU B 405 56.927 54.324 10.177 1.00 70.80 C ATOM 468 CD GLU B 405 57.376 54.247 8.720 1.00 71.38 C ATOM 469 OE1 GLU B 405 57.608 55.312 8.106 1.00 71.83 O ATOM 470 OE2 GLU B 405 57.501 53.122 8.188 1.00 71.81 O ATOM 471 H GLU B 405 54.154 57.142 9.666 1.00 0.00 H ATOM 472 N GLU B 406 52.568 54.164 10.113 1.00 67.21 N ATOM 473 CA GLU B 406 51.647 53.071 10.411 1.00 66.66 C ATOM 474 C GLU B 406 51.283 52.377 9.101 1.00 66.00 C ATOM 475 O GLU B 406 51.124 51.161 9.055 1.00 65.94 O ATOM 476 CB GLU B 406 50.368 53.578 11.082 1.00 66.93 C ATOM 477 CG GLU B 406 49.519 52.438 11.695 1.00 67.26 C ATOM 478 CD GLU B 406 48.094 52.840 12.040 1.00 67.38 C ATOM 479 OE1 GLU B 406 47.779 54.045 12.018 1.00 67.42 O ATOM 480 OE2 GLU B 406 47.286 51.941 12.347 1.00 67.17 O ATOM 481 H GLU B 406 52.293 55.147 10.312 1.00 0.00 H ATOM 482 N ALA B 407 51.150 53.164 8.038 1.00 64.58 N ATOM 483 CA ALA B 407 50.818 52.634 6.724 1.00 63.43 C ATOM 484 C ALA B 407 52.044 52.001 6.074 1.00 62.45 C ATOM 485 O ALA B 407 51.946 50.945 5.463 1.00 62.06 O ATOM 486 CB ALA B 407 50.273 53.737 5.839 1.00 63.20 C ATOM 487 H ALA B 407 51.287 54.189 8.149 1.00 0.00 H ATOM 488 N GLU B 408 53.198 52.649 6.203 1.00 61.48 N ATOM 489 CA GLU B 408 54.435 52.123 5.630 1.00 60.62 C ATOM 490 C GLU B 408 54.664 50.704 6.128 1.00 59.20 C ATOM 491 O GLU B 408 55.085 49.834 5.369 1.00 58.86 O ATOM 492 CB GLU B 408 55.634 52.976 6.042 1.00 61.93 C ATOM 493 CG GLU B 408 55.558 54.452 5.658 1.00 63.69 C ATOM 494 CD GLU B 408 55.783 54.682 4.179 1.00 64.40 C ATOM 495 OE1 GLU B 408 56.708 54.052 3.620 1.00 64.71 O ATOM 496 OE2 GLU B 408 55.042 55.498 3.582 1.00 65.04 O ATOM 497 H GLU B 408 53.221 53.549 6.723 1.00 0.00 H ATOM 498 N VAL B 409 54.387 50.485 7.412 1.00 57.36 N ATOM 499 CA VAL B 409 54.563 49.177 8.030 1.00 55.56 C ATOM 500 C VAL B 409 53.391 48.249 7.720 1.00 53.98 C ATOM 501 O VAL B 409 53.587 47.063 7.477 1.00 53.12 O ATOM 502 CB VAL B 409 54.745 49.288 9.571 1.00 56.11 C ATOM 503 CG1 VAL B 409 53.458 49.720 10.232 1.00 56.53 C ATOM 504 CG2 VAL B 409 55.204 47.956 10.129 1.00 56.60 C ATOM 505 H VAL B 409 54.034 51.273 7.992 1.00 0.00 H ATOM 506 N MET B 410 52.175 48.782 7.721 1.00 52.00 N ATOM 507 CA MET B 410 51.011 47.967 7.405 1.00 50.30 C ATOM 508 C MET B 410 51.072 47.464 5.973 1.00 49.60 C ATOM 509 O MET B 410 50.510 46.423 5.658 1.00 50.29 O ATOM 510 CB MET B 410 49.728 48.759 7.583 1.00 50.06 C ATOM 511 CG MET B 410 49.208 48.775 8.981 1.00 49.92 C ATOM 512 SD MET B 410 47.614 49.589 9.049 1.00 48.31 S ATOM 513 CE MET B 410 46.551 48.297 8.394 1.00 49.31 C ATOM 514 H MET B 410 52.053 49.789 7.949 1.00 0.00 H ATOM 515 N MET B 411 51.750 48.209 5.105 1.00 48.18 N ATOM 516 CA MET B 411 51.873 47.828 3.701 1.00 46.63 C ATOM 517 C MET B 411 52.758 46.607 3.478 1.00 45.13 C ATOM 518 O MET B 411 52.799 46.063 2.376 1.00 45.16 O ATOM 519 CB MET B 411 52.409 49.002 2.872 1.00 46.90 C ATOM 520 CG MET B 411 51.368 50.076 2.572 1.00 46.92 C ATOM 521 SD MET B 411 51.961 51.387 1.474 1.00 47.59 S ATOM 522 CE MET B 411 50.668 52.580 1.669 1.00 47.12 C ATOM 523 H MET B 411 52.204 49.085 5.434 1.00 0.00 H ATOM 524 N LYS B 412 53.461 46.168 4.516 1.00 43.16 N ATOM 525 CA LYS B 412 54.330 45.010 4.384 1.00 41.39 C ATOM 526 C LYS B 412 53.772 43.798 5.118 1.00 40.03 C ATOM 527 O LYS B 412 54.356 42.713 5.081 1.00 40.66 O ATOM 528 CB LYS B 412 55.719 45.342 4.916 1.00 42.16 C ATOM 529 CG LYS B 412 56.333 46.571 4.291 1.00 43.31 C ATOM 530 CD LYS B 412 57.685 46.888 4.931 1.00 44.56 C ATOM 531 CE LYS B 412 58.119 48.351 4.688 1.00 45.51 C ATOM 532 NZ LYS B 412 59.333 48.725 5.487 1.00 46.41 N ATOM 533 HZ1 LYS B 412 59.127 48.613 6.500 1.00 0.00 H ATOM 534 HZ2 LYS B 412 60.125 48.105 5.222 1.00 0.00 H ATOM 535 HZ3 LYS B 412 59.585 49.715 5.290 1.00 0.00 H ATOM 536 H LYS B 412 53.389 46.657 5.431 1.00 0.00 H ATOM 537 N LEU B 413 52.635 43.978 5.779 1.00 36.70 N ATOM 538 CA LEU B 413 52.017 42.894 6.523 1.00 33.95 C ATOM 539 C LEU B 413 50.722 42.455 5.851 1.00 33.13 C ATOM 540 O LEU B 413 49.928 43.281 5.393 1.00 32.47 O ATOM 541 CB LEU B 413 51.753 43.335 7.967 1.00 34.22 C ATOM 542 CG LEU B 413 52.986 43.812 8.752 1.00 33.49 C ATOM 543 CD1 LEU B 413 52.579 44.321 10.119 1.00 34.53 C ATOM 544 CD2 LEU B 413 53.968 42.678 8.901 1.00 33.67 C ATOM 545 H LEU B 413 52.178 44.912 5.764 1.00 0.00 H ATOM 546 N SER B 414 50.522 41.143 5.783 1.00 30.49 N ATOM 547 CA SER B 414 49.339 40.587 5.157 1.00 27.18 C ATOM 548 C SER B 414 48.930 39.273 5.786 1.00 25.23 C ATOM 549 O SER B 414 49.455 38.217 5.442 1.00 25.82 O ATOM 550 CB SER B 414 49.581 40.356 3.665 1.00 27.56 C ATOM 551 OG SER B 414 48.408 39.857 3.038 1.00 27.57 O ATOM 552 HG SER B 414 48.151 38.998 3.458 1.00 0.00 H ATOM 553 H SER B 414 51.231 40.500 6.189 1.00 0.00 H ATOM 554 N HIS B 415 47.980 39.330 6.701 1.00 23.36 N ATOM 555 CA HIS B 415 47.508 38.115 7.333 1.00 18.80 C ATOM 556 C HIS B 415 45.995 38.178 7.475 1.00 18.44 C ATOM 557 O HIS B 415 45.421 39.263 7.594 1.00 19.22 O ATOM 558 CB HIS B 415 48.185 37.921 8.695 1.00 17.88 C ATOM 559 CG HIS B 415 47.958 36.565 9.280 1.00 16.80 C ATOM 560 ND1 HIS B 415 46.859 36.267 10.058 1.00 15.18 N ATOM 561 CD2 HIS B 415 48.631 35.402 9.115 1.00 16.20 C ATOM 562 CE1 HIS B 415 46.863 34.978 10.345 1.00 15.09 C ATOM 563 NE2 HIS B 415 47.927 34.430 9.784 1.00 15.27 N ATOM 564 H HIS B 415 47.570 40.248 6.968 1.00 0.00 H ATOM 565 N PRO B 416 45.318 37.018 7.428 1.00 19.90 N ATOM 566 CA PRO B 416 43.858 37.007 7.558 1.00 16.36 C ATOM 567 C PRO B 416 43.320 37.535 8.893 1.00 17.12 C ATOM 568 O PRO B 416 42.145 37.870 9.001 1.00 17.25 O ATOM 569 CB PRO B 416 43.510 35.535 7.322 1.00 17.90 C ATOM 570 CG PRO B 416 44.550 35.119 6.342 1.00 17.21 C ATOM 571 CD PRO B 416 45.798 35.701 6.966 1.00 17.27 C ATOM 572 N LYS B 417 44.180 37.620 9.904 1.00 17.46 N ATOM 573 CA LYS B 417 43.759 38.092 11.217 1.00 16.25 C ATOM 574 C LYS B 417 44.318 39.462 11.577 1.00 16.70 C ATOM 575 O LYS B 417 44.357 39.834 12.752 1.00 15.78 O ATOM 576 CB LYS B 417 44.149 37.073 12.288 1.00 16.66 C ATOM 577 CG LYS B 417 43.540 35.708 12.066 1.00 15.93 C ATOM 578 CD LYS B 417 42.025 35.791 12.117 1.00 16.46 C ATOM 579 CE LYS B 417 41.366 34.680 11.294 1.00 17.32 C ATOM 580 NZ LYS B 417 41.579 33.339 11.884 1.00 17.31 N ATOM 581 HZ1 LYS B 417 42.599 33.141 11.933 1.00 0.00 H ATOM 582 HZ2 LYS B 417 41.173 33.314 12.841 1.00 0.00 H ATOM 583 HZ3 LYS B 417 41.114 32.623 11.290 1.00 0.00 H ATOM 584 H LYS B 417 45.172 37.344 9.755 1.00 0.00 H ATOM 585 N LEU B 418 44.766 40.196 10.560 1.00 17.88 N ATOM 586 CA LEU B 418 45.295 41.553 10.724 1.00 18.41 C ATOM 587 C LEU B 418 44.458 42.436 9.796 1.00 19.24 C ATOM 588 O LEU B 418 44.280 42.106 8.622 1.00 19.62 O ATOM 589 CB LEU B 418 46.766 41.633 10.305 1.00 16.95 C ATOM 590 CG LEU B 418 47.828 40.814 11.046 1.00 16.89 C ATOM 591 CD1 LEU B 418 49.189 41.164 10.468 1.00 15.20 C ATOM 592 CD2 LEU B 418 47.787 41.094 12.552 1.00 16.50 C ATOM 593 H LEU B 418 44.739 39.787 9.604 1.00 0.00 H ATOM 594 N VAL B 419 43.944 43.550 10.310 1.00 20.04 N ATOM 595 CA VAL B 419 43.117 44.407 9.483 1.00 20.86 C ATOM 596 C VAL B 419 43.906 44.868 8.262 1.00 20.26 C ATOM 597 O VAL B 419 45.113 45.120 8.341 1.00 19.24 O ATOM 598 CB VAL B 419 42.568 45.627 10.275 1.00 21.85 C ATOM 599 CG1 VAL B 419 43.606 46.728 10.349 1.00 22.58 C ATOM 600 CG2 VAL B 419 41.283 46.147 9.601 1.00 22.57 C ATOM 601 H VAL B 419 44.134 43.805 11.300 1.00 0.00 H ATOM 602 N GLN B 420 43.219 44.952 7.128 1.00 20.42 N ATOM 603 CA GLN B 420 43.851 45.356 5.882 1.00 20.98 C ATOM 604 C GLN B 420 43.742 46.849 5.569 1.00 20.41 C ATOM 605 O GLN B 420 42.854 47.548 6.047 1.00 18.83 O ATOM 606 CB GLN B 420 43.300 44.513 4.731 1.00 21.71 C ATOM 607 CG GLN B 420 43.831 43.052 4.744 1.00 23.27 C ATOM 608 CD GLN B 420 43.668 42.348 3.399 1.00 24.41 C ATOM 609 OE1 GLN B 420 42.545 42.030 2.978 1.00 23.77 O ATOM 610 NE2 GLN B 420 44.793 42.107 2.715 1.00 23.85 N ATOM 611 HE22 GLN B 420 45.712 42.392 3.109 1.00 0.00 H ATOM 612 HE21 GLN B 420 44.748 41.634 1.790 1.00 0.00 H ATOM 613 H GLN B 420 42.204 44.723 7.131 1.00 0.00 H ATOM 614 N LEU B 421 44.682 47.326 4.769 1.00 21.06 N ATOM 615 CA LEU B 421 44.734 48.724 4.391 1.00 22.60 C ATOM 616 C LEU B 421 44.307 48.898 2.942 1.00 21.57 C ATOM 617 O LEU B 421 44.751 48.149 2.080 1.00 21.92 O ATOM 618 CB LEU B 421 46.168 49.230 4.554 1.00 24.59 C ATOM 619 CG LEU B 421 46.418 50.729 4.484 1.00 26.25 C ATOM 620 CD1 LEU B 421 45.960 51.375 5.775 1.00 27.19 C ATOM 621 CD2 LEU B 421 47.900 50.973 4.268 1.00 27.26 C ATOM 622 H LEU B 421 45.406 46.677 4.400 1.00 0.00 H ATOM 623 N TYR B 422 43.438 49.874 2.685 1.00 21.53 N ATOM 624 CA TYR B 422 42.999 50.176 1.323 1.00 20.58 C ATOM 625 C TYR B 422 43.949 51.216 0.715 1.00 21.54 C ATOM 626 O TYR B 422 44.265 51.150 -0.474 1.00 22.32 O ATOM 627 CB TYR B 422 41.570 50.724 1.304 1.00 18.62 C ATOM 628 CG TYR B 422 40.512 49.706 0.941 1.00 17.64 C ATOM 629 CD1 TYR B 422 39.650 49.194 1.907 1.00 17.20 C ATOM 630 CD2 TYR B 422 40.383 49.246 -0.366 1.00 17.10 C ATOM 631 CE1 TYR B 422 38.686 48.250 1.577 1.00 17.90 C ATOM 632 CE2 TYR B 422 39.425 48.308 -0.703 1.00 17.68 C ATOM 633 CZ TYR B 422 38.585 47.814 0.273 1.00 17.22 C ATOM 634 OH TYR B 422 37.648 46.872 -0.056 1.00 18.37 O ATOM 635 HH TYR B 422 37.132 46.626 0.752 1.00 0.00 H ATOM 636 H TYR B 422 43.061 50.437 3.474 1.00 0.00 H ATOM 637 N GLY B 423 44.399 52.169 1.531 1.00 22.09 N ATOM 638 CA GLY B 423 45.303 53.194 1.047 1.00 23.28 C ATOM 639 C GLY B 423 45.581 54.308 2.041 1.00 25.58 C ATOM 640 O GLY B 423 45.311 54.167 3.235 1.00 22.98 O ATOM 641 H GLY B 423 44.098 52.177 2.527 1.00 0.00 H ATOM 642 N VAL B 424 46.124 55.418 1.539 1.00 27.16 N ATOM 643 CA VAL B 424 46.453 56.577 2.366 1.00 31.04 C ATOM 644 C VAL B 424 46.244 57.896 1.619 1.00 33.91 C ATOM 645 O VAL B 424 46.365 57.949 0.397 1.00 33.50 O ATOM 646 CB VAL B 424 47.938 56.544 2.827 1.00 30.98 C ATOM 647 CG1 VAL B 424 48.230 55.256 3.572 1.00 30.32 C ATOM 648 CG2 VAL B 424 48.861 56.692 1.620 1.00 30.05 C ATOM 649 H VAL B 424 46.321 55.460 0.519 1.00 0.00 H ATOM 650 N CYS B 425 45.935 58.951 2.371 1.00 38.23 N ATOM 651 CA CYS B 425 45.753 60.299 1.823 1.00 42.12 C ATOM 652 C CYS B 425 46.801 61.179 2.462 1.00 44.16 C ATOM 653 O CYS B 425 46.547 61.806 3.496 1.00 44.34 O ATOM 654 CB CYS B 425 44.394 60.878 2.179 1.00 43.34 C ATOM 655 SG CYS B 425 43.034 60.115 1.339 1.00 49.54 S ATOM 656 H CYS B 425 45.817 58.812 3.395 1.00 0.00 H ATOM 657 N LEU B 426 47.979 61.221 1.848 1.00 47.70 N ATOM 658 CA LEU B 426 49.086 62.014 2.366 1.00 49.61 C ATOM 659 C LEU B 426 49.022 63.366 1.697 1.00 51.06 C ATOM 660 O LEU B 426 49.845 64.252 1.952 1.00 52.14 O ATOM 661 CB LEU B 426 50.407 61.316 2.055 1.00 49.24 C ATOM 662 CG LEU B 426 50.346 59.824 2.396 1.00 49.78 C ATOM 663 CD1 LEU B 426 51.730 59.210 2.254 1.00 50.20 C ATOM 664 CD2 LEU B 426 49.812 59.633 3.822 1.00 49.71 C ATOM 665 H LEU B 426 48.114 60.673 0.974 1.00 0.00 H ATOM 666 N GLU B 427 48.007 63.512 0.855 1.00 52.51 N ATOM 667 CA GLU B 427 47.783 64.730 0.115 1.00 53.86 C ATOM 668 C GLU B 427 47.709 65.976 0.985 1.00 54.26 C ATOM 669 O GLU B 427 48.743 66.523 1.375 1.00 55.33 O ATOM 670 CB GLU B 427 46.506 64.609 -0.688 1.00 54.84 C ATOM 671 CG GLU B 427 46.483 65.530 -1.832 1.00 56.85 C ATOM 672 CD GLU B 427 45.088 65.862 -2.266 1.00 58.13 C ATOM 673 OE1 GLU B 427 44.234 64.943 -2.266 1.00 59.30 O ATOM 674 OE2 GLU B 427 44.847 67.040 -2.616 1.00 59.07 O ATOM 675 H GLU B 427 47.348 62.718 0.723 1.00 0.00 H ATOM 676 N GLN B 428 46.491 66.422 1.300 1.00 53.53 N ATOM 677 CA GLN B 428 46.333 67.636 2.095 1.00 52.74 C ATOM 678 C GLN B 428 45.671 67.538 3.471 1.00 50.54 C ATOM 679 O GLN B 428 45.340 66.457 3.951 1.00 49.60 O ATOM 680 CB GLN B 428 45.592 68.692 1.268 1.00 54.17 C ATOM 681 CG GLN B 428 45.811 70.143 1.794 1.00 56.78 C ATOM 682 CD GLN B 428 44.640 71.070 1.517 1.00 58.09 C ATOM 683 OE1 GLN B 428 44.513 72.125 2.148 1.00 59.06 O ATOM 684 NE2 GLN B 428 43.781 70.688 0.568 1.00 58.89 N ATOM 685 HE22 GLN B 428 43.929 69.791 0.063 1.00 0.00 H ATOM 686 HE21 GLN B 428 42.964 71.288 0.334 1.00 0.00 H ATOM 687 H GLN B 428 45.650 65.902 0.977 1.00 0.00 H ATOM 688 N ALA B 429 45.505 68.717 4.074 1.00 47.27 N ATOM 689 CA ALA B 429 44.891 68.951 5.378 1.00 44.93 C ATOM 690 C ALA B 429 44.932 67.753 6.313 1.00 44.63 C ATOM 691 O ALA B 429 46.025 67.349 6.712 1.00 44.26 O ATOM 692 CB ALA B 429 43.474 69.474 5.187 1.00 44.68 C ATOM 693 H ALA B 429 45.848 69.555 3.563 1.00 0.00 H ATOM 694 N PRO B 430 43.780 67.175 6.713 1.00 36.88 N ATOM 695 CA PRO B 430 44.036 66.038 7.601 1.00 38.39 C ATOM 696 C PRO B 430 44.450 64.834 6.748 1.00 38.28 C ATOM 697 O PRO B 430 43.619 64.269 6.030 1.00 36.44 O ATOM 698 CB PRO B 430 42.682 65.803 8.281 1.00 38.47 C ATOM 699 CG PRO B 430 41.931 67.079 8.063 1.00 38.32 C ATOM 700 CD PRO B 430 42.341 67.470 6.682 1.00 39.38 C ATOM 701 N ILE B 431 45.728 64.460 6.792 1.00 35.89 N ATOM 702 CA ILE B 431 46.165 63.312 6.019 1.00 35.19 C ATOM 703 C ILE B 431 45.487 62.129 6.695 1.00 35.15 C ATOM 704 O ILE B 431 45.210 62.181 7.900 1.00 34.03 O ATOM 705 CB ILE B 431 47.702 63.152 6.030 1.00 35.81 C ATOM 706 CG1 ILE B 431 48.216 62.975 7.454 1.00 35.72 C ATOM 707 CG2 ILE B 431 48.342 64.363 5.388 1.00 35.52 C ATOM 708 CD1 ILE B 431 49.713 62.787 7.534 1.00 36.45 C ATOM 709 H ILE B 431 46.408 64.987 7.376 1.00 0.00 H ATOM 710 N CYS B 432 45.212 61.070 5.936 1.00 33.35 N ATOM 711 CA CYS B 432 44.518 59.923 6.505 1.00 31.37 C ATOM 712 C CYS B 432 44.945 58.555 6.000 1.00 30.18 C ATOM 713 O CYS B 432 45.648 58.429 5.004 1.00 28.55 O ATOM 714 CB CYS B 432 43.014 60.074 6.271 1.00 31.74 C ATOM 715 SG CYS B 432 42.565 60.045 4.531 1.00 32.62 S ATOM 716 H CYS B 432 45.493 61.062 4.935 1.00 0.00 H ATOM 717 N LEU B 433 44.486 57.540 6.727 1.00 29.35 N ATOM 718 CA LEU B 433 44.721 56.130 6.439 1.00 27.95 C ATOM 719 C LEU B 433 43.328 55.552 6.213 1.00 26.39 C ATOM 720 O LEU B 433 42.406 55.848 6.970 1.00 25.63 O ATOM 721 CB LEU B 433 45.405 55.440 7.637 1.00 28.85 C ATOM 722 CG LEU B 433 46.940 55.376 7.625 1.00 29.92 C ATOM 723 CD1 LEU B 433 47.508 56.747 7.363 1.00 29.54 C ATOM 724 CD2 LEU B 433 47.461 54.825 8.941 1.00 30.82 C ATOM 725 H LEU B 433 43.915 57.770 7.566 1.00 0.00 H ATOM 726 N VAL B 434 43.180 54.741 5.171 1.00 24.39 N ATOM 727 CA VAL B 434 41.894 54.142 4.817 1.00 22.31 C ATOM 728 C VAL B 434 41.961 52.626 4.974 1.00 22.96 C ATOM 729 O VAL B 434 42.622 51.948 4.190 1.00 21.40 O ATOM 730 CB VAL B 434 41.527 54.483 3.354 1.00 21.89 C ATOM 731 CG1 VAL B 434 40.152 53.955 3.010 1.00 20.62 C ATOM 732 CG2 VAL B 434 41.586 55.975 3.148 1.00 22.67 C ATOM 733 H VAL B 434 44.011 54.524 4.585 1.00 0.00 H ATOM 734 N PHE B 435 41.267 52.100 5.984 1.00 22.71 N ATOM 735 CA PHE B 435 41.263 50.664 6.256 1.00 22.67 C ATOM 736 C PHE B 435 39.973 50.019 5.825 1.00 22.26 C ATOM 737 O PHE B 435 38.991 50.702 5.563 1.00 21.65 O ATOM 738 CB PHE B 435 41.422 50.372 7.756 1.00 23.40 C ATOM 739 CG PHE B 435 42.525 51.136 8.394 1.00 24.49 C ATOM 740 CD1 PHE B 435 42.285 52.375 8.959 1.00 24.35 C ATOM 741 CD2 PHE B 435 43.810 50.614 8.445 1.00 26.24 C ATOM 742 CE1 PHE B 435 43.325 53.118 9.518 1.00 25.77 C ATOM 743 CE2 PHE B 435 44.860 51.354 9.002 1.00 25.78 C ATOM 744 CZ PHE B 435 44.610 52.594 9.561 1.00 25.43 C ATOM 745 H PHE B 435 40.712 52.731 6.597 1.00 0.00 H ATOM 746 N GLU B 436 39.990 48.694 5.761 1.00 22.33 N ATOM 747 CA GLU B 436 38.802 47.944 5.430 1.00 23.17 C ATOM 748 C GLU B 436 37.889 48.212 6.625 1.00 22.98 C ATOM 749 O GLU B 436 38.363 48.587 7.703 1.00 20.96 O ATOM 750 CB GLU B 436 39.121 46.449 5.341 1.00 24.49 C ATOM 751 CG GLU B 436 39.615 45.828 6.668 1.00 26.18 C ATOM 752 CD GLU B 436 39.889 44.347 6.555 1.00 27.44 C ATOM 753 OE1 GLU B 436 40.892 43.885 7.130 1.00 27.22 O ATOM 754 OE2 GLU B 436 39.103 43.645 5.892 1.00 27.78 O ATOM 755 H GLU B 436 40.877 48.186 5.953 1.00 0.00 H ATOM 756 N PHE B 437 36.587 48.029 6.447 1.00 23.57 N ATOM 757 CA PHE B 437 35.668 48.266 7.544 1.00 22.78 C ATOM 758 C PHE B 437 35.287 46.950 8.199 1.00 23.33 C ATOM 759 O PHE B 437 34.969 45.976 7.512 1.00 23.76 O ATOM 760 CB PHE B 437 34.409 48.975 7.046 1.00 23.02 C ATOM 761 CG PHE B 437 33.460 49.369 8.134 1.00 21.89 C ATOM 762 CD1 PHE B 437 33.827 50.315 9.084 1.00 21.91 C ATOM 763 CD2 PHE B 437 32.232 48.737 8.261 1.00 22.01 C ATOM 764 CE1 PHE B 437 32.964 50.657 10.120 1.00 22.24 C ATOM 765 CE2 PHE B 437 31.364 49.073 9.292 1.00 22.91 C ATOM 766 CZ PHE B 437 31.737 50.016 10.235 1.00 22.62 C ATOM 767 H PHE B 437 36.226 47.716 5.523 1.00 0.00 H ATOM 768 N MET B 438 35.337 46.927 9.527 1.00 23.26 N ATOM 769 CA MET B 438 34.985 45.754 10.309 1.00 24.24 C ATOM 770 C MET B 438 33.633 46.070 10.931 1.00 25.51 C ATOM 771 O MET B 438 33.535 46.874 11.851 1.00 25.41 O ATOM 772 CB MET B 438 36.055 45.505 11.367 1.00 24.50 C ATOM 773 CG MET B 438 37.436 45.164 10.750 1.00 25.18 C ATOM 774 SD MET B 438 37.415 43.580 9.904 1.00 24.75 S ATOM 775 CE MET B 438 37.568 42.492 11.294 1.00 24.21 C ATOM 776 H MET B 438 35.641 47.786 10.028 1.00 0.00 H ATOM 777 N GLU B 439 32.601 45.419 10.407 1.00 27.15 N ATOM 778 CA GLU B 439 31.216 45.640 10.804 1.00 29.09 C ATOM 779 C GLU B 439 30.832 45.703 12.280 1.00 29.34 C ATOM 780 O GLU B 439 30.068 46.588 12.686 1.00 28.70 O ATOM 781 CB GLU B 439 30.319 44.617 10.096 1.00 31.40 C ATOM 782 CG GLU B 439 28.813 44.924 10.211 1.00 34.34 C ATOM 783 CD GLU B 439 28.467 46.372 9.828 1.00 35.37 C ATOM 784 OE1 GLU B 439 28.592 46.732 8.627 1.00 36.01 O ATOM 785 OE2 GLU B 439 28.074 47.149 10.739 1.00 36.20 O ATOM 786 H GLU B 439 32.792 44.710 9.670 1.00 0.00 H ATOM 787 N HIS B 440 31.357 44.795 13.093 1.00 29.15 N ATOM 788 CA HIS B 440 30.970 44.786 14.497 1.00 28.74 C ATOM 789 C HIS B 440 31.792 45.593 15.489 1.00 27.66 C ATOM 790 O HIS B 440 31.649 45.411 16.692 1.00 28.63 O ATOM 791 CB HIS B 440 30.832 43.341 14.977 1.00 29.54 C ATOM 792 CG HIS B 440 29.804 42.565 14.213 1.00 31.00 C ATOM 793 ND1 HIS B 440 28.486 42.960 14.132 1.00 31.02 N ATOM 794 CD2 HIS B 440 29.912 41.449 13.452 1.00 32.20 C ATOM 795 CE1 HIS B 440 27.826 42.123 13.350 1.00 31.50 C ATOM 796 NE2 HIS B 440 28.668 41.199 12.926 1.00 32.01 N ATOM 797 H HIS B 440 32.038 44.097 12.731 1.00 0.00 H ATOM 798 N GLY B 441 32.641 46.488 14.997 1.00 26.61 N ATOM 799 CA GLY B 441 33.431 47.316 15.892 1.00 26.54 C ATOM 800 C GLY B 441 34.502 46.621 16.704 1.00 26.91 C ATOM 801 O GLY B 441 34.867 45.481 16.417 1.00 25.30 O ATOM 802 H GLY B 441 32.741 46.596 13.967 1.00 0.00 H ATOM 803 N CYS B 442 34.999 47.310 17.731 1.00 27.56 N ATOM 804 CA CYS B 442 36.058 46.762 18.573 1.00 28.25 C ATOM 805 C CYS B 442 35.614 45.595 19.453 1.00 27.78 C ATOM 806 O CYS B 442 34.443 45.481 19.837 1.00 27.20 O ATOM 807 CB CYS B 442 36.715 47.876 19.417 1.00 30.04 C ATOM 808 SG CYS B 442 35.823 48.499 20.870 1.00 34.66 S ATOM 809 H CYS B 442 34.624 48.258 17.937 1.00 0.00 H ATOM 810 N LEU B 443 36.570 44.727 19.760 1.00 26.91 N ATOM 811 CA LEU B 443 36.314 43.542 20.562 1.00 26.96 C ATOM 812 C LEU B 443 35.745 43.807 21.955 1.00 27.30 C ATOM 813 O LEU B 443 34.773 43.166 22.352 1.00 26.82 O ATOM 814 CB LEU B 443 37.593 42.708 20.676 1.00 26.37 C ATOM 815 CG LEU B 443 37.492 41.392 21.455 1.00 25.37 C ATOM 816 CD1 LEU B 443 36.474 40.482 20.781 1.00 25.14 C ATOM 817 CD2 LEU B 443 38.862 40.720 21.534 1.00 24.50 C ATOM 818 H LEU B 443 37.536 44.901 19.415 1.00 0.00 H ATOM 819 N SER B 444 36.341 44.737 22.697 1.00 28.03 N ATOM 820 CA SER B 444 35.864 45.038 24.046 1.00 28.63 C ATOM 821 C SER B 444 34.391 45.487 24.105 1.00 29.40 C ATOM 822 O SER B 444 33.619 44.985 24.936 1.00 28.62 O ATOM 823 CB SER B 444 36.784 46.076 24.720 1.00 28.67 C ATOM 824 OG SER B 444 37.083 47.170 23.866 1.00 28.81 O ATOM 825 HG SER B 444 37.674 47.806 24.341 1.00 0.00 H ATOM 826 H SER B 444 37.156 45.256 22.313 1.00 0.00 H ATOM 827 N ASP B 445 33.997 46.421 23.234 1.00 29.87 N ATOM 828 CA ASP B 445 32.610 46.897 23.209 1.00 30.73 C ATOM 829 C ASP B 445 31.664 45.777 22.766 1.00 30.21 C ATOM 830 O ASP B 445 30.536 45.663 23.251 1.00 29.45 O ATOM 831 CB ASP B 445 32.465 48.107 22.272 1.00 32.26 C ATOM 832 CG ASP B 445 33.098 49.376 22.843 1.00 33.92 C ATOM 833 OD1 ASP B 445 32.950 50.454 22.222 1.00 34.90 O ATOM 834 OD2 ASP B 445 33.748 49.304 23.909 1.00 34.45 O ATOM 835 H ASP B 445 34.686 46.817 22.563 1.00 0.00 H ATOM 836 N TYR B 446 32.144 44.945 21.849 1.00 28.93 N ATOM 837 CA TYR B 446 31.359 43.834 21.337 1.00 28.67 C ATOM 838 C TYR B 446 31.159 42.754 22.412 1.00 29.45 C ATOM 839 O TYR B 446 30.133 42.078 22.454 1.00 26.96 O ATOM 840 CB TYR B 446 32.069 43.239 20.122 1.00 29.46 C ATOM 841 CG TYR B 446 31.342 42.077 19.510 1.00 29.27 C ATOM 842 CD1 TYR B 446 30.282 42.282 18.631 1.00 29.32 C ATOM 843 CD2 TYR B 446 31.697 40.763 19.829 1.00 29.13 C ATOM 844 CE1 TYR B 446 29.591 41.206 18.078 1.00 29.41 C ATOM 845 CE2 TYR B 446 31.014 39.685 19.288 1.00 29.09 C ATOM 846 CZ TYR B 446 29.962 39.913 18.413 1.00 29.47 C ATOM 847 OH TYR B 446 29.269 38.847 17.883 1.00 30.74 O ATOM 848 HH TYR B 446 28.557 39.183 17.283 1.00 0.00 H ATOM 849 H TYR B 446 33.108 45.092 21.487 1.00 0.00 H ATOM 850 N LEU B 447 32.156 42.577 23.271 1.00 29.54 N ATOM 851 CA LEU B 447 32.052 41.586 24.337 1.00 30.76 C ATOM 852 C LEU B 447 31.056 42.090 25.384 1.00 30.35 C ATOM 853 O LEU B 447 30.223 41.327 25.857 1.00 29.64 O ATOM 854 CB LEU B 447 33.428 41.330 24.984 1.00 30.86 C ATOM 855 CG LEU B 447 34.498 40.621 24.141 1.00 31.44 C ATOM 856 CD1 LEU B 447 35.852 40.693 24.826 1.00 31.62 C ATOM 857 CD2 LEU B 447 34.089 39.185 23.924 1.00 31.04 C ATOM 858 H LEU B 447 33.019 43.150 23.183 1.00 0.00 H ATOM 859 N ARG B 448 31.131 43.379 25.720 1.00 31.71 N ATOM 860 CA ARG B 448 30.241 43.986 26.718 1.00 33.35 C ATOM 861 C ARG B 448 28.763 43.931 26.358 1.00 32.99 C ATOM 862 O ARG B 448 27.917 43.650 27.203 1.00 31.73 O ATOM 863 CB ARG B 448 30.602 45.454 26.944 1.00 34.65 C ATOM 864 CG ARG B 448 31.970 45.690 27.447 1.00 37.54 C ATOM 865 CD ARG B 448 32.055 47.032 28.206 1.00 39.89 C ATOM 866 NE ARG B 448 33.434 47.527 28.225 1.00 42.65 N ATOM 867 CZ ARG B 448 34.042 48.124 27.199 1.00 43.82 C ATOM 868 NH1 ARG B 448 33.395 48.318 26.061 1.00 44.38 N ATOM 869 NH2 ARG B 448 35.311 48.503 27.299 1.00 44.37 N ATOM 870 HE ARG B 448 33.978 47.404 29.103 1.00 0.00 H ATOM 871 HH12 ARG B 448 33.873 48.784 25.264 1.00 0.00 H ATOM 872 HH11 ARG B 448 32.408 48.004 25.964 1.00 0.00 H ATOM 873 HH22 ARG B 448 35.780 48.968 26.495 1.00 0.00 H ATOM 874 HH21 ARG B 448 35.836 48.335 28.181 1.00 0.00 H ATOM 875 H ARG B 448 31.846 43.976 25.258 1.00 0.00 H ATOM 876 N THR B 449 28.460 44.222 25.101 1.00 33.52 N ATOM 877 CA THR B 449 27.085 44.234 24.637 1.00 34.56 C ATOM 878 C THR B 449 26.490 42.845 24.412 1.00 35.46 C ATOM 879 O THR B 449 25.287 42.669 24.543 1.00 36.94 O ATOM 880 CB THR B 449 26.945 45.090 23.349 1.00 34.61 C ATOM 881 OG1 THR B 449 27.615 44.454 22.261 1.00 35.18 O ATOM 882 CG2 THR B 449 27.567 46.460 23.559 1.00 34.01 C ATOM 883 HG1 THR B 449 27.519 45.008 21.446 1.00 0.00 H ATOM 884 H THR B 449 29.224 44.447 24.433 1.00 0.00 H ATOM 885 N GLN B 450 27.318 41.854 24.091 1.00 36.92 N ATOM 886 CA GLN B 450 26.828 40.486 23.873 1.00 36.71 C ATOM 887 C GLN B 450 27.035 39.636 25.127 1.00 37.22 C ATOM 888 O GLN B 450 26.906 38.410 25.085 1.00 36.12 O ATOM 889 CB GLN B 450 27.588 39.825 22.728 1.00 37.97 C ATOM 890 CG GLN B 450 27.657 40.640 21.470 1.00 39.19 C ATOM 891 CD GLN B 450 26.306 40.817 20.834 1.00 39.57 C ATOM 892 OE1 GLN B 450 25.681 39.851 20.408 1.00 39.88 O ATOM 893 NE2 GLN B 450 25.841 42.056 20.770 1.00 40.91 N ATOM 894 HE22 GLN B 450 26.407 42.844 21.145 1.00 0.00 H ATOM 895 HE21 GLN B 450 24.910 42.241 20.345 1.00 0.00 H ATOM 896 H GLN B 450 28.334 42.052 23.992 1.00 0.00 H ATOM 897 N ARG B 451 27.362 40.296 26.236 1.00 37.39 N ATOM 898 CA ARG B 451 27.622 39.621 27.499 1.00 37.68 C ATOM 899 C ARG B 451 26.507 38.656 27.878 1.00 37.14 C ATOM 900 O ARG B 451 25.333 39.008 27.864 1.00 36.85 O ATOM 901 CB ARG B 451 27.826 40.652 28.610 1.00 38.75 C ATOM 902 CG ARG B 451 28.584 40.124 29.779 1.00 39.64 C ATOM 903 CD ARG B 451 28.314 40.941 31.027 1.00 41.40 C ATOM 904 NE ARG B 451 28.952 42.259 31.029 1.00 42.44 N ATOM 905 CZ ARG B 451 30.262 42.460 30.962 1.00 42.83 C ATOM 906 NH1 ARG B 451 31.079 41.428 30.877 1.00 43.71 N ATOM 907 NH2 ARG B 451 30.758 43.687 31.017 1.00 43.05 N ATOM 908 HE ARG B 451 28.336 43.095 31.087 1.00 0.00 H ATOM 909 HH12 ARG B 451 32.106 41.581 30.824 1.00 0.00 H ATOM 910 HH11 ARG B 451 30.696 40.461 30.863 1.00 0.00 H ATOM 911 HH22 ARG B 451 31.786 43.835 30.964 1.00 0.00 H ATOM 912 HH21 ARG B 451 30.119 44.502 31.113 1.00 0.00 H ATOM 913 H ARG B 451 27.434 41.333 26.198 1.00 0.00 H ATOM 914 N GLY B 452 26.897 37.433 28.218 1.00 36.72 N ATOM 915 CA GLY B 452 25.936 36.418 28.590 1.00 35.82 C ATOM 916 C GLY B 452 25.581 35.526 27.418 1.00 35.70 C ATOM 917 O GLY B 452 25.110 34.408 27.618 1.00 35.33 O ATOM 918 H GLY B 452 27.911 37.201 28.217 1.00 0.00 H ATOM 919 N LEU B 453 25.818 36.008 26.198 1.00 35.16 N ATOM 920 CA LEU B 453 25.491 35.253 24.988 1.00 35.34 C ATOM 921 C LEU B 453 26.634 34.431 24.390 1.00 35.42 C ATOM 922 O LEU B 453 26.445 33.787 23.355 1.00 36.06 O ATOM 923 CB LEU B 453 24.955 36.201 23.906 1.00 35.55 C ATOM 924 CG LEU B 453 23.850 37.190 24.293 1.00 36.09 C ATOM 925 CD1 LEU B 453 23.456 37.996 23.073 1.00 36.56 C ATOM 926 CD2 LEU B 453 22.644 36.456 24.844 1.00 36.25 C ATOM 927 H LEU B 453 26.249 36.950 26.103 1.00 0.00 H ATOM 928 N PHE B 454 27.807 34.434 25.025 1.00 34.06 N ATOM 929 CA PHE B 454 28.948 33.686 24.491 1.00 32.98 C ATOM 930 C PHE B 454 29.250 32.317 25.103 1.00 31.76 C ATOM 931 O PHE B 454 29.260 32.154 26.320 1.00 31.53 O ATOM 932 CB PHE B 454 30.224 34.519 24.592 1.00 33.08 C ATOM 933 CG PHE B 454 30.220 35.756 23.755 1.00 32.81 C ATOM 934 CD1 PHE B 454 30.170 37.014 24.359 1.00 32.77 C ATOM 935 CD2 PHE B 454 30.303 35.673 22.367 1.00 32.85 C ATOM 936 CE1 PHE B 454 30.213 38.174 23.595 1.00 32.74 C ATOM 937 CE2 PHE B 454 30.345 36.831 21.591 1.00 32.86 C ATOM 938 CZ PHE B 454 30.299 38.084 22.208 1.00 33.08 C ATOM 939 H PHE B 454 27.913 34.973 25.908 1.00 0.00 H ATOM 940 N ALA B 455 29.513 31.340 24.239 1.00 31.26 N ATOM 941 CA ALA B 455 29.878 30.004 24.682 1.00 30.92 C ATOM 942 C ALA B 455 31.400 30.061 24.827 1.00 31.50 C ATOM 943 O ALA B 455 32.079 30.657 23.986 1.00 30.69 O ATOM 944 CB ALA B 455 29.493 28.972 23.637 1.00 30.90 C ATOM 945 H ALA B 455 29.456 31.537 23.219 1.00 0.00 H ATOM 946 N ALA B 456 31.930 29.457 25.890 1.00 30.47 N ATOM 947 CA ALA B 456 33.368 29.446 26.146 1.00 29.85 C ATOM 948 C ALA B 456 34.212 29.096 24.917 1.00 29.74 C ATOM 949 O ALA B 456 35.335 29.587 24.783 1.00 28.25 O ATOM 950 CB ALA B 456 33.683 28.483 27.281 1.00 29.92 C ATOM 951 H ALA B 456 31.297 28.976 26.561 1.00 0.00 H ATOM 952 N GLU B 457 33.677 28.256 24.028 1.00 29.11 N ATOM 953 CA GLU B 457 34.404 27.851 22.819 1.00 29.69 C ATOM 954 C GLU B 457 34.602 29.035 21.908 1.00 27.09 C ATOM 955 O GLU B 457 35.642 29.180 21.277 1.00 26.72 O ATOM 956 CB GLU B 457 33.637 26.824 21.987 1.00 32.36 C ATOM 957 CG GLU B 457 32.897 25.778 22.699 1.00 35.84 C ATOM 958 CD GLU B 457 32.121 24.910 21.717 1.00 38.14 C ATOM 959 OE1 GLU B 457 31.227 25.452 21.020 1.00 38.58 O ATOM 960 OE2 GLU B 457 32.410 23.693 21.625 1.00 39.41 O ATOM 961 H GLU B 457 32.722 27.880 24.196 1.00 0.00 H ATOM 962 N THR B 458 33.558 29.846 21.811 1.00 25.60 N ATOM 963 CA THR B 458 33.572 31.024 20.966 1.00 25.14 C ATOM 964 C THR B 458 34.631 32.001 21.469 1.00 24.04 C ATOM 965 O THR B 458 35.406 32.553 20.680 1.00 24.79 O ATOM 966 CB THR B 458 32.188 31.706 20.963 1.00 25.48 C ATOM 967 OG1 THR B 458 31.178 30.719 20.728 1.00 25.81 O ATOM 968 CG2 THR B 458 32.107 32.750 19.860 1.00 25.16 C ATOM 969 HG1 THR B 458 30.288 31.153 20.725 1.00 0.00 H ATOM 970 H THR B 458 32.701 29.630 22.359 1.00 0.00 H ATOM 971 N LEU B 459 34.665 32.200 22.784 1.00 22.17 N ATOM 972 CA LEU B 459 35.627 33.097 23.404 1.00 20.72 C ATOM 973 C LEU B 459 37.045 32.616 23.131 1.00 19.70 C ATOM 974 O LEU B 459 37.926 33.418 22.827 1.00 19.93 O ATOM 975 CB LEU B 459 35.383 33.170 24.910 1.00 20.22 C ATOM 976 CG LEU B 459 33.970 33.578 25.341 1.00 20.80 C ATOM 977 CD1 LEU B 459 33.831 33.445 26.872 1.00 20.69 C ATOM 978 CD2 LEU B 459 33.688 35.005 24.890 1.00 19.79 C ATOM 979 H LEU B 459 33.982 31.698 23.387 1.00 0.00 H ATOM 980 N LEU B 460 37.269 31.309 23.235 1.00 18.51 N ATOM 981 CA LEU B 460 38.593 30.761 22.979 1.00 18.27 C ATOM 982 C LEU B 460 38.936 30.985 21.516 1.00 17.47 C ATOM 983 O LEU B 460 40.067 31.330 21.190 1.00 18.12 O ATOM 984 CB LEU B 460 38.644 29.261 23.280 1.00 18.45 C ATOM 985 CG LEU B 460 40.042 28.651 23.112 1.00 18.69 C ATOM 986 CD1 LEU B 460 40.959 29.242 24.148 1.00 18.28 C ATOM 987 CD2 LEU B 460 39.993 27.149 23.262 1.00 18.68 C ATOM 988 H LEU B 460 36.491 30.673 23.502 1.00 0.00 H ATOM 989 N GLY B 461 37.952 30.784 20.644 1.00 16.36 N ATOM 990 CA GLY B 461 38.154 30.965 19.219 1.00 16.12 C ATOM 991 C GLY B 461 38.613 32.369 18.914 1.00 16.37 C ATOM 992 O GLY B 461 39.424 32.580 18.025 1.00 16.84 O ATOM 993 H GLY B 461 37.017 30.490 20.992 1.00 0.00 H ATOM 994 N MET B 462 38.088 33.332 19.666 1.00 18.39 N ATOM 995 CA MET B 462 38.451 34.734 19.500 1.00 19.63 C ATOM 996 C MET B 462 39.908 34.955 19.879 1.00 19.92 C ATOM 997 O MET B 462 40.622 35.718 19.227 1.00 20.17 O ATOM 998 CB MET B 462 37.576 35.625 20.380 1.00 19.92 C ATOM 999 CG MET B 462 36.115 35.558 20.078 1.00 20.38 C ATOM 1000 SD MET B 462 35.201 36.718 21.107 1.00 22.35 S ATOM 1001 CE MET B 462 33.602 36.699 20.247 1.00 23.47 C ATOM 1002 H MET B 462 37.395 33.076 20.398 1.00 0.00 H ATOM 1003 N CYS B 463 40.342 34.304 20.953 1.00 19.68 N ATOM 1004 CA CYS B 463 41.723 34.436 21.396 1.00 20.60 C ATOM 1005 C CYS B 463 42.624 33.813 20.339 1.00 19.83 C ATOM 1006 O CYS B 463 43.733 34.279 20.120 1.00 20.38 O ATOM 1007 CB CYS B 463 41.925 33.749 22.751 1.00 19.96 C ATOM 1008 SG CYS B 463 40.974 34.509 24.093 1.00 22.93 S ATOM 1009 H CYS B 463 39.688 33.693 21.483 1.00 0.00 H ATOM 1010 N LEU B 464 42.139 32.765 19.675 1.00 20.34 N ATOM 1011 CA LEU B 464 42.920 32.107 18.630 1.00 20.19 C ATOM 1012 C LEU B 464 43.144 33.043 17.457 1.00 19.56 C ATOM 1013 O LEU B 464 44.247 33.134 16.935 1.00 18.80 O ATOM 1014 CB LEU B 464 42.223 30.842 18.137 1.00 21.22 C ATOM 1015 CG LEU B 464 42.763 29.540 18.721 1.00 21.64 C ATOM 1016 CD1 LEU B 464 44.249 29.412 18.402 1.00 21.67 C ATOM 1017 CD2 LEU B 464 42.528 29.523 20.214 1.00 22.14 C ATOM 1018 H LEU B 464 41.189 32.409 19.904 1.00 0.00 H ATOM 1019 N ASP B 465 42.088 33.726 17.034 1.00 19.57 N ATOM 1020 CA ASP B 465 42.193 34.674 15.944 1.00 18.61 C ATOM 1021 C ASP B 465 43.312 35.657 16.265 1.00 19.25 C ATOM 1022 O ASP B 465 44.267 35.803 15.497 1.00 18.10 O ATOM 1023 CB ASP B 465 40.870 35.426 15.774 1.00 18.69 C ATOM 1024 CG ASP B 465 39.815 34.600 15.064 1.00 19.72 C ATOM 1025 OD1 ASP B 465 38.630 34.978 15.138 1.00 19.44 O ATOM 1026 OD2 ASP B 465 40.165 33.577 14.420 1.00 19.35 O ATOM 1027 H ASP B 465 41.167 33.578 17.494 1.00 0.00 H ATOM 1028 N VAL B 466 43.197 36.325 17.409 1.00 19.12 N ATOM 1029 CA VAL B 466 44.208 37.296 17.822 1.00 18.40 C ATOM 1030 C VAL B 466 45.616 36.694 17.882 1.00 17.45 C ATOM 1031 O VAL B 466 46.576 37.312 17.416 1.00 16.22 O ATOM 1032 CB VAL B 466 43.867 37.934 19.200 1.00 18.31 C ATOM 1033 CG1 VAL B 466 45.034 38.798 19.687 1.00 18.85 C ATOM 1034 CG2 VAL B 466 42.622 38.793 19.071 1.00 17.99 C ATOM 1035 H VAL B 466 42.373 36.153 18.020 1.00 0.00 H ATOM 1036 N CYS B 467 45.741 35.497 18.444 1.00 16.94 N ATOM 1037 CA CYS B 467 47.047 34.846 18.542 1.00 17.11 C ATOM 1038 C CYS B 467 47.656 34.546 17.163 1.00 17.66 C ATOM 1039 O CYS B 467 48.861 34.719 16.955 1.00 16.96 O ATOM 1040 CB CYS B 467 46.925 33.552 19.347 1.00 17.29 C ATOM 1041 SG CYS B 467 48.497 32.948 19.984 1.00 18.35 S ATOM 1042 H CYS B 467 44.899 35.016 18.819 1.00 0.00 H ATOM 1043 N GLU B 468 46.831 34.080 16.224 1.00 18.81 N ATOM 1044 CA GLU B 468 47.309 33.786 14.880 1.00 19.64 C ATOM 1045 C GLU B 468 47.908 35.069 14.320 1.00 19.70 C ATOM 1046 O GLU B 468 48.995 35.062 13.744 1.00 17.87 O ATOM 1047 CB GLU B 468 46.162 33.322 13.987 1.00 19.80 C ATOM 1048 CG GLU B 468 45.637 31.946 14.318 1.00 21.30 C ATOM 1049 CD GLU B 468 44.409 31.598 13.495 1.00 22.10 C ATOM 1050 OE1 GLU B 468 44.136 32.317 12.504 1.00 20.78 O ATOM 1051 OE2 GLU B 468 43.721 30.606 13.837 1.00 22.93 O ATOM 1052 H GLU B 468 45.829 33.924 16.456 1.00 0.00 H ATOM 1053 N GLY B 469 47.196 36.175 14.507 1.00 19.18 N ATOM 1054 CA GLY B 469 47.691 37.446 14.018 1.00 19.87 C ATOM 1055 C GLY B 469 48.986 37.881 14.688 1.00 19.18 C ATOM 1056 O GLY B 469 49.865 38.422 14.029 1.00 17.42 O ATOM 1057 H GLY B 469 46.284 36.129 15.004 1.00 0.00 H ATOM 1058 N MET B 470 49.109 37.649 15.993 1.00 18.59 N ATOM 1059 CA MET B 470 50.310 38.043 16.726 1.00 20.52 C ATOM 1060 C MET B 470 51.510 37.157 16.404 1.00 19.92 C ATOM 1061 O MET B 470 52.657 37.617 16.462 1.00 20.73 O ATOM 1062 CB MET B 470 50.052 38.022 18.240 1.00 19.66 C ATOM 1063 CG MET B 470 49.065 39.093 18.749 1.00 21.60 C ATOM 1064 SD MET B 470 49.595 40.785 18.344 1.00 21.55 S ATOM 1065 CE MET B 470 48.802 40.989 16.814 1.00 23.80 C ATOM 1066 H MET B 470 48.334 37.177 16.502 1.00 0.00 H ATOM 1067 N ALA B 471 51.250 35.893 16.067 1.00 18.30 N ATOM 1068 CA ALA B 471 52.318 34.952 15.733 1.00 19.33 C ATOM 1069 C ALA B 471 52.951 35.350 14.400 1.00 19.98 C ATOM 1070 O ALA B 471 54.141 35.132 14.161 1.00 20.38 O ATOM 1071 CB ALA B 471 51.764 33.519 15.660 1.00 17.48 C ATOM 1072 H ALA B 471 50.262 35.568 16.041 1.00 0.00 H ATOM 1073 N TYR B 472 52.136 35.926 13.528 1.00 19.89 N ATOM 1074 CA TYR B 472 52.595 36.386 12.231 1.00 19.31 C ATOM 1075 C TYR B 472 53.456 37.635 12.471 1.00 20.21 C ATOM 1076 O TYR B 472 54.542 37.761 11.915 1.00 20.77 O ATOM 1077 CB TYR B 472 51.383 36.714 11.360 1.00 19.45 C ATOM 1078 CG TYR B 472 51.716 37.387 10.058 1.00 19.75 C ATOM 1079 CD1 TYR B 472 52.037 36.642 8.925 1.00 19.77 C ATOM 1080 CD2 TYR B 472 51.746 38.782 9.964 1.00 19.57 C ATOM 1081 CE1 TYR B 472 52.383 37.271 7.735 1.00 19.42 C ATOM 1082 CE2 TYR B 472 52.094 39.415 8.779 1.00 19.83 C ATOM 1083 CZ TYR B 472 52.411 38.654 7.673 1.00 19.81 C ATOM 1084 OH TYR B 472 52.774 39.278 6.507 1.00 20.49 O ATOM 1085 HH TYR B 472 52.968 38.596 5.816 1.00 0.00 H ATOM 1086 H TYR B 472 51.135 36.052 13.782 1.00 0.00 H ATOM 1087 N LEU B 473 52.982 38.555 13.308 1.00 19.61 N ATOM 1088 CA LEU B 473 53.753 39.759 13.599 1.00 20.17 C ATOM 1089 C LEU B 473 55.081 39.390 14.266 1.00 21.66 C ATOM 1090 O LEU B 473 56.130 39.907 13.899 1.00 22.61 O ATOM 1091 CB LEU B 473 52.968 40.696 14.516 1.00 18.69 C ATOM 1092 CG LEU B 473 51.718 41.424 14.013 1.00 17.22 C ATOM 1093 CD1 LEU B 473 51.250 42.372 15.108 1.00 15.67 C ATOM 1094 CD2 LEU B 473 52.022 42.207 12.724 1.00 17.52 C ATOM 1095 H LEU B 473 52.055 38.415 13.758 1.00 0.00 H ATOM 1096 N GLU B 474 55.019 38.498 15.249 1.00 23.65 N ATOM 1097 CA GLU B 474 56.192 38.027 15.976 1.00 23.78 C ATOM 1098 C GLU B 474 57.237 37.463 15.010 1.00 25.83 C ATOM 1099 O GLU B 474 58.417 37.802 15.087 1.00 24.02 O ATOM 1100 CB GLU B 474 55.759 36.951 16.979 1.00 23.55 C ATOM 1101 CG GLU B 474 56.881 36.328 17.796 1.00 24.41 C ATOM 1102 CD GLU B 474 56.404 35.163 18.655 1.00 24.67 C ATOM 1103 OE1 GLU B 474 56.061 34.097 18.092 1.00 24.74 O ATOM 1104 OE2 GLU B 474 56.368 35.314 19.896 1.00 24.36 O ATOM 1105 H GLU B 474 54.088 38.117 15.513 1.00 0.00 H ATOM 1106 N GLU B 475 56.800 36.603 14.095 1.00 26.65 N ATOM 1107 CA GLU B 475 57.705 36.001 13.127 1.00 28.17 C ATOM 1108 C GLU B 475 58.317 37.053 12.189 1.00 28.91 C ATOM 1109 O GLU B 475 59.451 36.898 11.732 1.00 28.94 O ATOM 1110 CB GLU B 475 56.965 34.927 12.319 1.00 30.05 C ATOM 1111 CG GLU B 475 57.872 34.058 11.479 1.00 31.76 C ATOM 1112 CD GLU B 475 58.181 34.688 10.136 1.00 33.56 C ATOM 1113 OE1 GLU B 475 59.257 34.377 9.563 1.00 32.88 O ATOM 1114 OE2 GLU B 475 57.340 35.491 9.659 1.00 34.05 O ATOM 1115 H GLU B 475 55.790 36.355 14.070 1.00 0.00 H ATOM 1116 N ALA B 476 57.568 38.118 11.908 1.00 28.40 N ATOM 1117 CA ALA B 476 58.043 39.188 11.034 1.00 28.97 C ATOM 1118 C ALA B 476 58.812 40.194 11.872 1.00 29.55 C ATOM 1119 O ALA B 476 59.143 41.286 11.419 1.00 28.62 O ATOM 1120 CB ALA B 476 56.863 39.871 10.344 1.00 28.30 C ATOM 1121 H ALA B 476 56.617 38.190 12.323 1.00 0.00 H ATOM 1122 N CYS B 477 59.084 39.802 13.110 1.00 31.04 N ATOM 1123 CA CYS B 477 59.810 40.635 14.052 1.00 31.97 C ATOM 1124 C CYS B 477 59.194 42.024 14.165 1.00 31.51 C ATOM 1125 O CYS B 477 59.895 43.035 14.101 1.00 31.70 O ATOM 1126 CB CYS B 477 61.285 40.712 13.640 1.00 33.40 C ATOM 1127 SG CYS B 477 62.152 39.099 13.716 1.00 39.70 S ATOM 1128 H CYS B 477 58.765 38.861 13.418 1.00 0.00 H ATOM 1129 N VAL B 478 57.872 42.056 14.329 1.00 31.11 N ATOM 1130 CA VAL B 478 57.119 43.301 14.474 1.00 30.29 C ATOM 1131 C VAL B 478 56.437 43.284 15.838 1.00 30.81 C ATOM 1132 O VAL B 478 55.706 42.342 16.153 1.00 31.17 O ATOM 1133 CB VAL B 478 56.013 43.416 13.409 1.00 30.14 C ATOM 1134 CG1 VAL B 478 55.089 44.569 13.742 1.00 29.62 C ATOM 1135 CG2 VAL B 478 56.624 43.611 12.040 1.00 30.85 C ATOM 1136 H VAL B 478 57.353 41.155 14.355 1.00 0.00 H ATOM 1137 N ILE B 479 56.669 44.291 16.670 1.00 30.54 N ATOM 1138 CA ILE B 479 55.977 44.264 17.951 1.00 30.42 C ATOM 1139 C ILE B 479 54.867 45.308 17.963 1.00 29.40 C ATOM 1140 O ILE B 479 55.058 46.462 17.588 1.00 29.30 O ATOM 1141 CB ILE B 479 56.936 44.442 19.179 1.00 31.16 C ATOM 1142 CG1 ILE B 479 56.856 45.856 19.716 1.00 32.42 C ATOM 1143 CG2 ILE B 479 58.372 44.104 18.795 1.00 31.68 C ATOM 1144 CD1 ILE B 479 57.546 46.000 21.008 1.00 32.48 C ATOM 1145 H ILE B 479 57.316 45.065 16.419 1.00 0.00 H ATOM 1146 N HIS B 480 53.691 44.868 18.380 1.00 28.51 N ATOM 1147 CA HIS B 480 52.513 45.717 18.419 1.00 27.40 C ATOM 1148 C HIS B 480 52.622 46.917 19.364 1.00 26.31 C ATOM 1149 O HIS B 480 52.401 48.050 18.955 1.00 25.25 O ATOM 1150 CB HIS B 480 51.295 44.862 18.778 1.00 27.43 C ATOM 1151 CG HIS B 480 49.991 45.552 18.549 1.00 28.24 C ATOM 1152 ND1 HIS B 480 49.573 46.630 19.306 1.00 28.27 N ATOM 1153 CD2 HIS B 480 49.016 45.344 17.634 1.00 28.07 C ATOM 1154 CE1 HIS B 480 48.405 47.050 18.866 1.00 29.01 C ATOM 1155 NE2 HIS B 480 48.041 46.286 17.849 1.00 28.48 N ATOM 1156 H HIS B 480 53.607 43.879 18.691 1.00 0.00 H ATOM 1157 N ARG B 481 52.953 46.654 20.623 1.00 26.48 N ATOM 1158 CA ARG B 481 53.101 47.687 21.649 1.00 28.04 C ATOM 1159 C ARG B 481 51.796 48.267 22.178 1.00 27.09 C ATOM 1160 O ARG B 481 51.817 49.132 23.047 1.00 27.53 O ATOM 1161 CB ARG B 481 53.964 48.840 21.144 1.00 28.43 C ATOM 1162 CG ARG B 481 55.395 48.480 20.888 1.00 30.94 C ATOM 1163 CD ARG B 481 56.068 49.606 20.148 1.00 33.75 C ATOM 1164 NE ARG B 481 57.509 49.428 20.053 1.00 36.04 N ATOM 1165 CZ ARG B 481 58.389 50.327 20.486 1.00 37.79 C ATOM 1166 NH1 ARG B 481 57.953 51.458 21.038 1.00 38.77 N ATOM 1167 NH2 ARG B 481 59.699 50.101 20.376 1.00 38.01 N ATOM 1168 HE ARG B 481 57.870 48.552 19.624 1.00 0.00 H ATOM 1169 HH12 ARG B 481 58.634 52.166 21.379 1.00 0.00 H ATOM 1170 HH11 ARG B 481 56.932 51.633 21.128 1.00 0.00 H ATOM 1171 HH22 ARG B 481 60.379 50.810 20.717 1.00 0.00 H ATOM 1172 HH21 ARG B 481 60.040 49.216 19.949 1.00 0.00 H ATOM 1173 H ARG B 481 53.115 45.663 20.894 1.00 0.00 H ATOM 1174 N ASP B 482 50.661 47.811 21.662 1.00 26.20 N ATOM 1175 CA ASP B 482 49.393 48.333 22.140 1.00 25.71 C ATOM 1176 C ASP B 482 48.280 47.303 21.964 1.00 23.98 C ATOM 1177 O ASP B 482 47.131 47.646 21.667 1.00 24.49 O ATOM 1178 CB ASP B 482 49.061 49.644 21.404 1.00 27.59 C ATOM 1179 CG ASP B 482 48.023 50.491 22.142 1.00 28.70 C ATOM 1180 OD1 ASP B 482 47.974 50.413 23.396 1.00 29.64 O ATOM 1181 OD2 ASP B 482 47.273 51.242 21.468 1.00 29.41 O ATOM 1182 H ASP B 482 50.680 47.083 20.919 1.00 0.00 H ATOM 1183 N LEU B 483 48.623 46.034 22.150 1.00 22.33 N ATOM 1184 CA LEU B 483 47.640 44.978 22.009 1.00 20.85 C ATOM 1185 C LEU B 483 46.679 45.017 23.190 1.00 20.23 C ATOM 1186 O LEU B 483 47.093 44.972 24.345 1.00 19.98 O ATOM 1187 CB LEU B 483 48.324 43.608 21.928 1.00 18.86 C ATOM 1188 CG LEU B 483 47.375 42.405 21.753 1.00 19.98 C ATOM 1189 CD1 LEU B 483 46.601 42.504 20.406 1.00 18.53 C ATOM 1190 CD2 LEU B 483 48.187 41.106 21.820 1.00 18.66 C ATOM 1191 H LEU B 483 49.604 45.796 22.399 1.00 0.00 H ATOM 1192 N ALA B 484 45.389 45.117 22.886 1.00 21.03 N ATOM 1193 CA ALA B 484 44.326 45.151 23.890 1.00 20.66 C ATOM 1194 C ALA B 484 43.043 44.820 23.139 1.00 21.10 C ATOM 1195 O ALA B 484 42.999 44.949 21.914 1.00 20.82 O ATOM 1196 CB ALA B 484 44.231 46.539 24.519 1.00 20.56 C ATOM 1197 H ALA B 484 45.122 45.174 21.883 1.00 0.00 H ATOM 1198 N ALA B 485 42.010 44.381 23.853 1.00 21.21 N ATOM 1199 CA ALA B 485 40.743 44.038 23.214 1.00 21.68 C ATOM 1200 C ALA B 485 40.164 45.236 22.467 1.00 23.60 C ATOM 1201 O ALA B 485 39.566 45.083 21.400 1.00 23.89 O ATOM 1202 CB ALA B 485 39.739 43.524 24.249 1.00 20.49 C ATOM 1203 H ALA B 485 42.107 44.280 24.884 1.00 0.00 H ATOM 1204 N ARG B 486 40.343 46.432 23.020 1.00 24.93 N ATOM 1205 CA ARG B 486 39.829 47.633 22.373 1.00 26.73 C ATOM 1206 C ARG B 486 40.526 47.861 21.036 1.00 26.48 C ATOM 1207 O ARG B 486 40.023 48.589 20.188 1.00 27.01 O ATOM 1208 CB ARG B 486 40.034 48.861 23.262 1.00 28.05 C ATOM 1209 CG ARG B 486 41.474 49.212 23.473 1.00 29.65 C ATOM 1210 CD ARG B 486 41.653 50.548 24.184 1.00 31.41 C ATOM 1211 NE ARG B 486 43.069 50.778 24.453 1.00 33.48 N ATOM 1212 CZ ARG B 486 43.759 50.112 25.373 1.00 34.38 C ATOM 1213 NH1 ARG B 486 43.145 49.190 26.110 1.00 34.49 N ATOM 1214 NH2 ARG B 486 45.061 50.340 25.532 1.00 34.77 N ATOM 1215 HE ARG B 486 43.565 51.502 23.895 1.00 0.00 H ATOM 1216 HH12 ARG B 486 43.676 48.663 26.833 1.00 0.00 H ATOM 1217 HH11 ARG B 486 42.134 48.996 25.964 1.00 0.00 H ATOM 1218 HH22 ARG B 486 45.596 49.816 26.253 1.00 0.00 H ATOM 1219 HH21 ARG B 486 45.543 51.042 24.935 1.00 0.00 H ATOM 1220 H ARG B 486 40.854 46.511 23.922 1.00 0.00 H ATOM 1221 N ASN B 487 41.689 47.243 20.853 1.00 25.77 N ATOM 1222 CA ASN B 487 42.438 47.389 19.611 1.00 25.74 C ATOM 1223 C ASN B 487 42.307 46.217 18.646 1.00 24.62 C ATOM 1224 O ASN B 487 43.114 46.054 17.733 1.00 24.01 O ATOM 1225 CB ASN B 487 43.910 47.671 19.902 1.00 26.94 C ATOM 1226 CG ASN B 487 44.140 49.101 20.327 1.00 28.24 C ATOM 1227 OD1 ASN B 487 43.594 50.024 19.722 1.00 29.78 O ATOM 1228 ND2 ASN B 487 44.956 49.300 21.359 1.00 28.25 N ATOM 1229 HD22 ASN B 487 45.395 48.488 21.839 1.00 0.00 H ATOM 1230 HD21 ASN B 487 45.155 50.267 21.685 1.00 0.00 H ATOM 1231 H ASN B 487 42.072 46.643 21.611 1.00 0.00 H ATOM 1232 N CYS B 488 41.286 45.397 18.864 1.00 23.41 N ATOM 1233 CA CYS B 488 40.992 44.282 17.977 1.00 23.57 C ATOM 1234 C CYS B 488 39.581 44.527 17.459 1.00 23.54 C ATOM 1235 O CYS B 488 38.718 45.063 18.176 1.00 22.93 O ATOM 1236 CB CYS B 488 41.078 42.957 18.713 1.00 23.45 C ATOM 1237 SG CYS B 488 42.758 42.633 19.205 1.00 24.25 S ATOM 1238 H CYS B 488 40.679 45.556 19.693 1.00 0.00 H ATOM 1239 N LEU B 489 39.362 44.160 16.202 1.00 23.04 N ATOM 1240 CA LEU B 489 38.080 44.373 15.557 1.00 23.13 C ATOM 1241 C LEU B 489 37.344 43.069 15.340 1.00 23.67 C ATOM 1242 O LEU B 489 37.963 42.004 15.259 1.00 23.63 O ATOM 1243 CB LEU B 489 38.294 45.090 14.220 1.00 22.58 C ATOM 1244 CG LEU B 489 38.969 46.459 14.364 1.00 23.77 C ATOM 1245 CD1 LEU B 489 39.287 47.013 12.991 1.00 23.15 C ATOM 1246 CD2 LEU B 489 38.056 47.419 15.151 1.00 22.89 C ATOM 1247 H LEU B 489 40.130 43.708 15.666 1.00 0.00 H ATOM 1248 N VAL B 490 36.019 43.165 15.263 1.00 23.76 N ATOM 1249 CA VAL B 490 35.159 42.009 15.047 1.00 25.81 C ATOM 1250 C VAL B 490 34.469 42.228 13.709 1.00 26.52 C ATOM 1251 O VAL B 490 33.819 43.253 13.486 1.00 26.34 O ATOM 1252 CB VAL B 490 34.077 41.880 16.151 1.00 26.05 C ATOM 1253 CG1 VAL B 490 33.366 40.535 16.026 1.00 26.20 C ATOM 1254 CG2 VAL B 490 34.702 42.042 17.531 1.00 25.42 C ATOM 1255 H VAL B 490 35.580 44.103 15.361 1.00 0.00 H ATOM 1256 N GLY B 491 34.634 41.277 12.805 1.00 27.91 N ATOM 1257 CA GLY B 491 34.005 41.411 11.512 1.00 31.72 C ATOM 1258 C GLY B 491 32.782 40.528 11.444 1.00 34.59 C ATOM 1259 O GLY B 491 32.495 39.769 12.376 1.00 33.49 O ATOM 1260 H GLY B 491 35.212 40.440 13.023 1.00 0.00 H ATOM 1261 N GLU B 492 32.032 40.633 10.354 1.00 39.03 N ATOM 1262 CA GLU B 492 30.860 39.785 10.220 1.00 42.33 C ATOM 1263 C GLU B 492 31.428 38.366 10.202 1.00 42.31 C ATOM 1264 O GLU B 492 32.393 38.078 9.490 1.00 43.56 O ATOM 1265 CB GLU B 492 30.083 40.096 8.930 1.00 43.88 C ATOM 1266 CG GLU B 492 28.574 39.594 8.943 1.00 46.03 C ATOM 1267 CD GLU B 492 27.935 39.579 10.344 1.00 47.64 C ATOM 1268 OE1 GLU B 492 28.267 38.682 11.160 1.00 47.92 O ATOM 1269 OE2 GLU B 492 27.094 40.469 10.631 1.00 48.72 O ATOM 1270 H GLU B 492 32.280 41.312 9.607 1.00 0.00 H ATOM 1271 N ASN B 493 30.846 37.518 11.043 1.00 42.37 N ATOM 1272 CA ASN B 493 31.227 36.122 11.207 1.00 41.37 C ATOM 1273 C ASN B 493 31.943 35.970 12.537 1.00 40.12 C ATOM 1274 O ASN B 493 32.389 34.878 12.903 1.00 39.58 O ATOM 1275 CB ASN B 493 32.136 35.663 10.072 1.00 43.05 C ATOM 1276 CG ASN B 493 31.836 34.245 9.636 1.00 44.79 C ATOM 1277 OD1 ASN B 493 30.778 33.695 9.962 1.00 45.42 O ATOM 1278 ND2 ASN B 493 32.759 33.646 8.879 1.00 45.50 N ATOM 1279 HD22 ASN B 493 33.634 34.150 8.630 1.00 0.00 H ATOM 1280 HD21 ASN B 493 32.602 32.676 8.538 1.00 0.00 H ATOM 1281 H ASN B 493 30.063 37.877 11.626 1.00 0.00 H ATOM 1282 N GLN B 494 32.039 37.077 13.267 1.00 38.00 N ATOM 1283 CA GLN B 494 32.707 37.080 14.558 1.00 36.14 C ATOM 1284 C GLN B 494 34.197 36.801 14.425 1.00 33.37 C ATOM 1285 O GLN B 494 34.820 36.353 15.375 1.00 33.06 O ATOM 1286 CB GLN B 494 32.076 36.041 15.479 1.00 37.69 C ATOM 1287 CG GLN B 494 31.153 36.612 16.536 1.00 40.11 C ATOM 1288 CD GLN B 494 30.565 35.528 17.426 1.00 42.09 C ATOM 1289 OE1 GLN B 494 30.003 35.812 18.490 1.00 42.97 O ATOM 1290 NE2 GLN B 494 30.685 34.272 16.989 1.00 42.95 N ATOM 1291 HE22 GLN B 494 31.166 34.079 16.087 1.00 0.00 H ATOM 1292 HE21 GLN B 494 30.298 33.487 17.550 1.00 0.00 H ATOM 1293 H GLN B 494 31.627 37.961 12.906 1.00 0.00 H ATOM 1294 N VAL B 495 34.762 37.040 13.244 1.00 30.57 N ATOM 1295 CA VAL B 495 36.193 36.836 13.046 1.00 28.80 C ATOM 1296 C VAL B 495 36.880 37.999 13.742 1.00 27.96 C ATOM 1297 O VAL B 495 36.428 39.143 13.628 1.00 27.19 O ATOM 1298 CB VAL B 495 36.615 36.873 11.553 1.00 29.31 C ATOM 1299 CG1 VAL B 495 36.358 38.251 10.948 1.00 29.80 C ATOM 1300 CG2 VAL B 495 38.087 36.550 11.443 1.00 29.38 C ATOM 1301 H VAL B 495 34.177 37.376 12.453 1.00 0.00 H ATOM 1302 N ILE B 496 37.962 37.720 14.462 1.00 25.96 N ATOM 1303 CA ILE B 496 38.683 38.777 15.157 1.00 24.92 C ATOM 1304 C ILE B 496 39.971 39.138 14.418 1.00 24.52 C ATOM 1305 O ILE B 496 40.752 38.264 14.054 1.00 24.33 O ATOM 1306 CB ILE B 496 39.048 38.365 16.609 1.00 24.77 C ATOM 1307 CG1 ILE B 496 37.805 37.887 17.360 1.00 26.15 C ATOM 1308 CG2 ILE B 496 39.661 39.545 17.342 1.00 25.47 C ATOM 1309 CD1 ILE B 496 36.755 38.954 17.623 1.00 26.11 C ATOM 1310 H ILE B 496 38.297 36.738 14.530 1.00 0.00 H ATOM 1311 N LYS B 497 40.178 40.430 14.181 1.00 24.35 N ATOM 1312 CA LYS B 497 41.393 40.907 13.526 1.00 25.02 C ATOM 1313 C LYS B 497 42.106 41.893 14.441 1.00 26.64 C ATOM 1314 O LYS B 497 41.471 42.606 15.221 1.00 26.21 O ATOM 1315 CB LYS B 497 41.088 41.609 12.199 1.00 24.09 C ATOM 1316 CG LYS B 497 40.531 40.719 11.113 1.00 23.22 C ATOM 1317 CD LYS B 497 40.716 41.361 9.758 1.00 23.33 C ATOM 1318 CE LYS B 497 40.021 40.573 8.672 1.00 23.14 C ATOM 1319 NZ LYS B 497 40.373 41.101 7.337 1.00 23.05 N ATOM 1320 HZ1 LYS B 497 40.080 42.097 7.271 1.00 0.00 H ATOM 1321 HZ2 LYS B 497 41.401 41.031 7.198 1.00 0.00 H ATOM 1322 HZ3 LYS B 497 39.885 40.545 6.606 1.00 0.00 H ATOM 1323 H LYS B 497 39.455 41.120 14.470 1.00 0.00 H ATOM 1324 N VAL B 498 43.432 41.910 14.345 1.00 28.36 N ATOM 1325 CA VAL B 498 44.268 42.814 15.118 1.00 29.74 C ATOM 1326 C VAL B 498 44.411 44.071 14.276 1.00 31.23 C ATOM 1327 O VAL B 498 44.571 43.986 13.061 1.00 29.90 O ATOM 1328 CB VAL B 498 45.681 42.236 15.333 1.00 29.85 C ATOM 1329 CG1 VAL B 498 46.572 43.281 15.984 1.00 29.43 C ATOM 1330 CG2 VAL B 498 45.616 40.987 16.183 1.00 30.15 C ATOM 1331 H VAL B 498 43.891 41.247 13.688 1.00 0.00 H ATOM 1332 N SER B 499 44.346 45.234 14.911 1.00 33.98 N ATOM 1333 CA SER B 499 44.504 46.479 14.176 1.00 36.72 C ATOM 1334 C SER B 499 45.371 47.410 14.995 1.00 37.48 C ATOM 1335 O SER B 499 46.015 46.985 15.949 1.00 36.74 O ATOM 1336 CB SER B 499 43.147 47.137 13.918 1.00 37.21 C ATOM 1337 OG SER B 499 42.628 47.689 15.109 1.00 39.42 O ATOM 1338 HG SER B 499 41.751 48.109 14.922 1.00 0.00 H ATOM 1339 H SER B 499 44.182 45.255 15.938 1.00 0.00 H ATOM 1340 N ASP B 500 45.389 48.680 14.605 1.00 40.60 N ATOM 1341 CA ASP B 500 46.157 49.701 15.310 1.00 42.75 C ATOM 1342 C ASP B 500 47.657 49.408 15.315 1.00 42.84 C ATOM 1343 O ASP B 500 48.226 49.058 16.354 1.00 42.29 O ATOM 1344 CB ASP B 500 45.655 49.807 16.749 1.00 44.64 C ATOM 1345 CG ASP B 500 45.822 51.187 17.316 1.00 46.59 C ATOM 1346 OD1 ASP B 500 46.967 51.698 17.339 1.00 47.00 O ATOM 1347 OD2 ASP B 500 44.794 51.760 17.737 1.00 48.22 O ATOM 1348 H ASP B 500 44.837 48.956 13.768 1.00 0.00 H ATOM 1349 N PHE B 501 48.296 49.559 14.159 1.00 42.89 N ATOM 1350 CA PHE B 501 49.724 49.300 14.067 1.00 43.94 C ATOM 1351 C PHE B 501 50.557 50.574 14.118 1.00 43.19 C ATOM 1352 O PHE B 501 51.633 50.656 13.507 1.00 42.79 O ATOM 1353 CB PHE B 501 50.032 48.509 12.797 1.00 45.27 C ATOM 1354 CG PHE B 501 49.228 47.251 12.669 1.00 46.54 C ATOM 1355 CD1 PHE B 501 48.058 47.234 11.916 1.00 46.57 C ATOM 1356 CD2 PHE B 501 49.593 46.110 13.374 1.00 46.39 C ATOM 1357 CE1 PHE B 501 47.279 46.093 11.850 1.00 46.80 C ATOM 1358 CE2 PHE B 501 48.819 44.968 13.315 1.00 46.97 C ATOM 1359 CZ PHE B 501 47.655 44.962 12.563 1.00 46.96 C ATOM 1360 H PHE B 501 47.771 49.864 13.315 1.00 0.00 H ATOM 1361 N GLY B 502 50.059 51.569 14.849 1.00 41.90 N ATOM 1362 CA GLY B 502 50.804 52.804 14.978 1.00 41.65 C ATOM 1363 C GLY B 502 52.005 52.515 15.861 1.00 41.06 C ATOM 1364 O GLY B 502 52.591 53.438 16.437 1.00 41.47 O ATOM 1365 H GLY B 502 49.141 51.460 15.324 1.00 0.00 H ATOM 1366 N MET B 503 52.373 51.230 15.954 1.00 39.97 N ATOM 1367 CA MET B 503 53.479 50.763 16.799 1.00 39.05 C ATOM 1368 C MET B 503 53.278 51.479 18.132 1.00 39.06 C ATOM 1369 O MET B 503 54.202 51.609 18.944 1.00 40.00 O ATOM 1370 CB MET B 503 54.837 51.124 16.182 1.00 39.90 C ATOM 1371 CG MET B 503 55.177 50.358 14.874 1.00 39.89 C ATOM 1372 SD MET B 503 55.343 48.566 15.126 1.00 43.52 S ATOM 1373 CE MET B 503 57.125 48.381 15.350 1.00 40.26 C ATOM 1374 H MET B 503 51.847 50.526 15.398 1.00 0.00 H ATOM 1375 N THR B 504 52.031 51.916 18.326 1.00 37.98 N ATOM 1376 CA THR B 504 51.556 52.666 19.488 1.00 37.28 C ATOM 1377 C THR B 504 51.881 52.054 20.845 1.00 36.88 C ATOM 1378 O THR B 504 52.022 52.777 21.836 1.00 36.21 O ATOM 1379 CB THR B 504 50.010 52.886 19.384 1.00 37.94 C ATOM 1380 OG1 THR B 504 49.709 53.640 18.193 1.00 38.48 O ATOM 1381 CG2 THR B 504 49.475 53.639 20.620 1.00 37.51 C ATOM 1382 HG1 THR B 504 48.731 53.778 18.130 1.00 0.00 H ATOM 1383 H THR B 504 51.335 51.704 17.583 1.00 0.00 H TER 1384 THR B 504 ATOM 1385 N PRO B 521 49.115 53.347 29.155 1.00 33.70 N ATOM 1386 CA PRO B 521 48.269 52.164 29.218 1.00 32.07 C ATOM 1387 C PRO B 521 48.978 51.112 30.058 1.00 31.03 C ATOM 1388 O PRO B 521 49.289 49.997 29.524 1.00 29.46 O ATOM 1389 CB PRO B 521 47.994 51.639 27.793 1.00 32.25 C ATOM 1390 HN3 PRO B 521 50.026 53.097 28.720 1.00 0.00 H ATOM 1391 HN2 PRO B 521 49.276 53.708 30.117 1.00 0.00 H ATOM 1392 HN1 PRO B 521 48.645 54.078 28.584 1.00 0.00 H ATOM 1393 N VAL B 522 49.232 51.438 31.346 1.00 28.81 N ATOM 1394 CA VAL B 522 49.942 50.426 32.128 1.00 27.26 C ATOM 1395 C VAL B 522 49.148 49.135 32.371 1.00 25.78 C ATOM 1396 O VAL B 522 49.709 48.118 32.672 1.00 24.10 O ATOM 1397 CB VAL B 522 50.522 50.926 33.468 1.00 28.29 C ATOM 1398 CG1 VAL B 522 51.546 52.013 33.227 1.00 29.41 C ATOM 1399 CG2 VAL B 522 49.397 51.461 34.382 1.00 29.47 C ATOM 1400 H VAL B 522 48.941 52.349 31.754 1.00 0.00 H ATOM 1401 N LYS B 523 47.845 49.115 32.159 1.00 23.17 N ATOM 1402 CA LYS B 523 47.094 47.877 32.400 1.00 23.42 C ATOM 1403 C LYS B 523 47.410 46.726 31.452 1.00 22.65 C ATOM 1404 O LYS B 523 47.091 45.579 31.767 1.00 22.37 O ATOM 1405 CB LYS B 523 45.585 48.147 32.428 1.00 22.32 C ATOM 1406 CG LYS B 523 45.186 48.916 33.650 1.00 23.38 C ATOM 1407 CD LYS B 523 43.749 49.374 33.567 1.00 24.60 C ATOM 1408 CE LYS B 523 43.333 50.195 34.822 1.00 24.51 C ATOM 1409 NZ LYS B 523 41.845 50.148 34.959 1.00 25.07 N ATOM 1410 HZ1 LYS B 523 41.407 50.557 34.109 1.00 0.00 H ATOM 1411 HZ2 LYS B 523 41.539 49.160 35.067 1.00 0.00 H ATOM 1412 HZ3 LYS B 523 41.558 50.695 35.796 1.00 0.00 H ATOM 1413 H LYS B 523 47.355 49.969 31.824 1.00 0.00 H ATOM 1414 N TRP B 524 48.058 47.015 30.321 1.00 21.85 N ATOM 1415 CA TRP B 524 48.432 45.969 29.363 1.00 21.94 C ATOM 1416 C TRP B 524 49.943 45.873 29.220 1.00 22.00 C ATOM 1417 O TRP B 524 50.451 45.148 28.360 1.00 21.83 O ATOM 1418 CB TRP B 524 47.829 46.257 27.993 1.00 22.84 C ATOM 1419 CG TRP B 524 46.351 46.091 27.958 1.00 24.11 C ATOM 1420 CD1 TRP B 524 45.654 44.970 27.590 1.00 24.41 C ATOM 1421 CD2 TRP B 524 45.376 47.059 28.358 1.00 24.22 C ATOM 1422 NE1 TRP B 524 44.303 45.184 27.741 1.00 24.63 N ATOM 1423 CE2 TRP B 524 44.103 46.457 28.213 1.00 24.75 C ATOM 1424 CE3 TRP B 524 45.452 48.378 28.833 1.00 24.70 C ATOM 1425 CZ2 TRP B 524 42.912 47.133 28.523 1.00 24.66 C ATOM 1426 CZ3 TRP B 524 44.265 49.046 29.142 1.00 25.30 C ATOM 1427 CH2 TRP B 524 43.016 48.419 28.985 1.00 24.84 C ATOM 1428 HE1 TRP B 524 43.555 44.493 27.531 1.00 0.00 H ATOM 1429 H TRP B 524 48.303 48.004 30.114 1.00 0.00 H ATOM 1430 N ALA B 525 50.652 46.603 30.077 1.00 21.48 N ATOM 1431 CA ALA B 525 52.112 46.653 30.048 1.00 21.76 C ATOM 1432 C ALA B 525 52.818 45.677 30.972 1.00 21.66 C ATOM 1433 O ALA B 525 52.507 45.587 32.164 1.00 22.35 O ATOM 1434 CB ALA B 525 52.586 48.067 30.360 1.00 22.28 C ATOM 1435 H ALA B 525 50.147 47.160 30.796 1.00 0.00 H ATOM 1436 N SER B 526 53.777 44.948 30.411 1.00 20.62 N ATOM 1437 CA SER B 526 54.557 44.005 31.186 1.00 21.45 C ATOM 1438 C SER B 526 55.447 44.851 32.105 1.00 20.49 C ATOM 1439 O SER B 526 55.636 46.044 31.875 1.00 20.48 O ATOM 1440 CB SER B 526 55.389 43.122 30.249 1.00 20.58 C ATOM 1441 OG SER B 526 56.147 43.896 29.335 1.00 22.76 O ATOM 1442 HG SER B 526 56.670 43.294 28.748 1.00 0.00 H ATOM 1443 H SER B 526 53.971 45.057 29.395 1.00 0.00 H ATOM 1444 N PRO B 527 56.003 44.252 33.160 1.00 19.64 N ATOM 1445 CA PRO B 527 56.853 45.033 34.063 1.00 20.68 C ATOM 1446 C PRO B 527 58.065 45.702 33.412 1.00 20.12 C ATOM 1447 O PRO B 527 58.374 46.850 33.719 1.00 20.38 O ATOM 1448 CB PRO B 527 57.267 44.011 35.121 1.00 19.44 C ATOM 1449 CG PRO B 527 56.161 43.017 35.100 1.00 19.56 C ATOM 1450 CD PRO B 527 55.883 42.864 33.626 1.00 20.72 C ATOM 1451 N GLU B 528 58.762 44.993 32.527 1.00 19.02 N ATOM 1452 CA GLU B 528 59.937 45.576 31.881 1.00 18.99 C ATOM 1453 C GLU B 528 59.518 46.755 31.004 1.00 19.97 C ATOM 1454 O GLU B 528 60.332 47.634 30.713 1.00 18.74 O ATOM 1455 CB GLU B 528 60.706 44.509 31.078 1.00 18.88 C ATOM 1456 CG GLU B 528 60.033 44.014 29.808 1.00 19.35 C ATOM 1457 CD GLU B 528 59.097 42.840 30.034 1.00 18.81 C ATOM 1458 OE1 GLU B 528 58.495 42.384 29.036 1.00 17.82 O ATOM 1459 OE2 GLU B 528 58.970 42.374 31.191 1.00 17.16 O ATOM 1460 H GLU B 528 58.470 44.022 32.295 1.00 0.00 H ATOM 1461 N VAL B 529 58.243 46.781 30.604 1.00 18.88 N ATOM 1462 CA VAL B 529 57.716 47.883 29.801 1.00 18.21 C ATOM 1463 C VAL B 529 57.286 49.048 30.688 1.00 18.29 C ATOM 1464 O VAL B 529 57.653 50.192 30.417 1.00 18.30 O ATOM 1465 CB VAL B 529 56.496 47.469 28.926 1.00 18.86 C ATOM 1466 CG1 VAL B 529 55.697 48.709 28.507 1.00 18.14 C ATOM 1467 CG2 VAL B 529 56.966 46.738 27.689 1.00 17.47 C ATOM 1468 H VAL B 529 57.611 45.999 30.870 1.00 0.00 H ATOM 1469 N PHE B 530 56.506 48.797 31.740 1.00 19.37 N ATOM 1470 CA PHE B 530 56.104 49.936 32.565 1.00 19.65 C ATOM 1471 C PHE B 530 57.219 50.470 33.468 1.00 21.23 C ATOM 1472 O PHE B 530 57.072 51.524 34.086 1.00 22.28 O ATOM 1473 CB PHE B 530 54.790 49.679 33.357 1.00 19.00 C ATOM 1474 CG PHE B 530 54.854 48.597 34.410 1.00 18.93 C ATOM 1475 CD1 PHE B 530 55.808 48.615 35.424 1.00 19.40 C ATOM 1476 CD2 PHE B 530 53.903 47.581 34.418 1.00 18.74 C ATOM 1477 CE1 PHE B 530 55.803 47.643 36.429 1.00 18.01 C ATOM 1478 CE2 PHE B 530 53.890 46.604 35.421 1.00 18.70 C ATOM 1479 CZ PHE B 530 54.841 46.635 36.420 1.00 18.94 C ATOM 1480 H PHE B 530 56.196 47.830 31.965 1.00 0.00 H ATOM 1481 N SER B 531 58.352 49.771 33.506 1.00 21.32 N ATOM 1482 CA SER B 531 59.484 50.213 34.318 1.00 22.11 C ATOM 1483 C SER B 531 60.632 50.785 33.492 1.00 22.36 C ATOM 1484 O SER B 531 61.198 51.822 33.851 1.00 22.14 O ATOM 1485 CB SER B 531 60.023 49.063 35.174 1.00 21.77 C ATOM 1486 OG SER B 531 59.109 48.715 36.184 1.00 22.87 O ATOM 1487 HG SER B 531 58.255 48.431 35.771 1.00 0.00 H ATOM 1488 H SER B 531 58.433 48.897 32.949 1.00 0.00 H ATOM 1489 N PHE B 532 60.970 50.124 32.384 1.00 22.37 N ATOM 1490 CA PHE B 532 62.093 50.561 31.558 1.00 22.62 C ATOM 1491 C PHE B 532 61.777 50.671 30.077 1.00 23.05 C ATOM 1492 O PHE B 532 62.689 50.783 29.268 1.00 23.35 O ATOM 1493 CB PHE B 532 63.276 49.597 31.742 1.00 22.82 C ATOM 1494 CG PHE B 532 63.473 49.142 33.170 1.00 22.76 C ATOM 1495 CD1 PHE B 532 62.993 47.908 33.599 1.00 22.74 C ATOM 1496 CD2 PHE B 532 64.108 49.962 34.091 1.00 22.56 C ATOM 1497 CE1 PHE B 532 63.131 47.510 34.927 1.00 23.59 C ATOM 1498 CE2 PHE B 532 64.252 49.575 35.423 1.00 23.01 C ATOM 1499 CZ PHE B 532 63.768 48.350 35.842 1.00 22.74 C ATOM 1500 H PHE B 532 60.425 49.284 32.103 1.00 0.00 H ATOM 1501 N SER B 533 60.495 50.634 29.725 1.00 24.19 N ATOM 1502 CA SER B 533 60.059 50.728 28.326 1.00 25.46 C ATOM 1503 C SER B 533 60.806 49.760 27.415 1.00 25.75 C ATOM 1504 O SER B 533 61.180 50.115 26.297 1.00 26.43 O ATOM 1505 CB SER B 533 60.259 52.150 27.788 1.00 25.46 C ATOM 1506 OG SER B 533 59.698 53.103 28.668 1.00 26.67 O ATOM 1507 HG SER B 533 58.728 52.931 28.764 1.00 0.00 H ATOM 1508 H SER B 533 59.774 50.535 30.468 1.00 0.00 H ATOM 1509 N ARG B 534 61.033 48.543 27.888 1.00 26.12 N ATOM 1510 CA ARG B 534 61.731 47.567 27.078 1.00 26.75 C ATOM 1511 C ARG B 534 60.689 46.688 26.407 1.00 25.60 C ATOM 1512 O ARG B 534 60.125 45.778 27.016 1.00 24.92 O ATOM 1513 CB ARG B 534 62.670 46.727 27.938 1.00 28.80 C ATOM 1514 CG ARG B 534 63.807 46.043 27.134 1.00 32.13 C ATOM 1515 CD ARG B 534 64.585 45.009 28.012 1.00 35.32 C ATOM 1516 NE ARG B 534 64.867 45.532 29.350 1.00 37.95 N ATOM 1517 CZ ARG B 534 65.723 46.520 29.613 1.00 39.06 C ATOM 1518 NH1 ARG B 534 66.400 47.103 28.627 1.00 39.82 N ATOM 1519 NH2 ARG B 534 65.889 46.934 30.865 1.00 39.33 N ATOM 1520 HE ARG B 534 64.364 45.102 30.152 1.00 0.00 H ATOM 1521 HH12 ARG B 534 67.066 47.873 28.838 1.00 0.00 H ATOM 1522 HH11 ARG B 534 66.263 46.789 27.645 1.00 0.00 H ATOM 1523 HH22 ARG B 534 66.556 47.704 31.074 1.00 0.00 H ATOM 1524 HH21 ARG B 534 65.352 46.488 31.636 1.00 0.00 H ATOM 1525 H ARG B 534 60.709 48.289 28.843 1.00 0.00 H ATOM 1526 N TYR B 535 60.433 46.984 25.141 1.00 24.10 N ATOM 1527 CA TYR B 535 59.459 46.251 24.357 1.00 23.44 C ATOM 1528 C TYR B 535 60.044 45.098 23.565 1.00 22.97 C ATOM 1529 O TYR B 535 61.162 45.178 23.052 1.00 22.76 O ATOM 1530 CB TYR B 535 58.765 47.183 23.376 1.00 23.38 C ATOM 1531 CG TYR B 535 57.951 48.278 24.010 1.00 24.04 C ATOM 1532 CD1 TYR B 535 58.544 49.486 24.378 1.00 23.71 C ATOM 1533 CD2 TYR B 535 56.582 48.113 24.230 1.00 23.60 C ATOM 1534 CE1 TYR B 535 57.792 50.501 24.945 1.00 23.85 C ATOM 1535 CE2 TYR B 535 55.821 49.124 24.798 1.00 23.26 C ATOM 1536 CZ TYR B 535 56.429 50.315 25.153 1.00 23.33 C ATOM 1537 OH TYR B 535 55.673 51.329 25.700 1.00 23.64 O ATOM 1538 HH TYR B 535 56.256 52.105 25.895 1.00 0.00 H ATOM 1539 H TYR B 535 60.949 47.769 24.695 1.00 0.00 H ATOM 1540 N SER B 536 59.265 44.026 23.469 1.00 23.22 N ATOM 1541 CA SER B 536 59.643 42.835 22.712 1.00 22.52 C ATOM 1542 C SER B 536 58.360 42.049 22.431 1.00 22.70 C ATOM 1543 O SER B 536 57.272 42.438 22.872 1.00 22.69 O ATOM 1544 CB SER B 536 60.632 41.973 23.503 1.00 22.29 C ATOM 1545 OG SER B 536 60.009 41.278 24.569 1.00 21.87 O ATOM 1546 HG SER B 536 59.603 41.930 25.194 1.00 0.00 H ATOM 1547 H SER B 536 58.345 44.035 23.954 1.00 0.00 H ATOM 1548 N SER B 537 58.461 40.961 21.679 1.00 21.76 N ATOM 1549 CA SER B 537 57.265 40.185 21.409 1.00 21.55 C ATOM 1550 C SER B 537 56.760 39.586 22.713 1.00 20.71 C ATOM 1551 O SER B 537 55.560 39.323 22.875 1.00 21.88 O ATOM 1552 CB SER B 537 57.556 39.097 20.387 1.00 21.83 C ATOM 1553 OG SER B 537 57.459 39.645 19.083 1.00 23.90 O ATOM 1554 HG SER B 537 56.545 39.998 18.942 1.00 0.00 H ATOM 1555 H SER B 537 59.380 40.670 21.290 1.00 0.00 H ATOM 1556 N LYS B 538 57.687 39.379 23.643 1.00 18.99 N ATOM 1557 CA LYS B 538 57.353 38.840 24.951 1.00 18.70 C ATOM 1558 C LYS B 538 56.561 39.847 25.787 1.00 18.38 C ATOM 1559 O LYS B 538 55.851 39.445 26.701 1.00 18.50 O ATOM 1560 CB LYS B 538 58.622 38.396 25.688 1.00 19.58 C ATOM 1561 CG LYS B 538 59.320 37.195 25.031 1.00 18.75 C ATOM 1562 CD LYS B 538 58.327 36.038 24.779 1.00 19.69 C ATOM 1563 CE LYS B 538 59.041 34.783 24.216 1.00 20.26 C ATOM 1564 NZ LYS B 538 59.833 34.047 25.246 1.00 20.43 N ATOM 1565 HZ1 LYS B 538 60.563 34.677 25.636 1.00 0.00 H ATOM 1566 HZ2 LYS B 538 59.200 33.734 26.010 1.00 0.00 H ATOM 1567 HZ3 LYS B 538 60.285 33.219 24.808 1.00 0.00 H ATOM 1568 H LYS B 538 58.678 39.609 23.429 1.00 0.00 H ATOM 1569 N SER B 539 56.681 41.146 25.498 1.00 17.74 N ATOM 1570 CA SER B 539 55.885 42.136 26.236 1.00 18.13 C ATOM 1571 C SER B 539 54.496 42.136 25.579 1.00 16.50 C ATOM 1572 O SER B 539 53.480 42.315 26.252 1.00 16.22 O ATOM 1573 CB SER B 539 56.531 43.541 26.229 1.00 16.89 C ATOM 1574 OG SER B 539 56.786 44.047 24.936 1.00 17.39 O ATOM 1575 HG SER B 539 55.935 44.113 24.435 1.00 0.00 H ATOM 1576 H SER B 539 57.336 41.456 24.752 1.00 0.00 H ATOM 1577 N ASP B 540 54.466 41.904 24.264 1.00 16.36 N ATOM 1578 CA ASP B 540 53.210 41.798 23.519 1.00 16.15 C ATOM 1579 C ASP B 540 52.493 40.575 24.070 1.00 14.77 C ATOM 1580 O ASP B 540 51.273 40.558 24.184 1.00 16.13 O ATOM 1581 CB ASP B 540 53.455 41.564 22.022 1.00 15.00 C ATOM 1582 CG ASP B 540 53.654 42.850 21.249 1.00 15.04 C ATOM 1583 OD1 ASP B 540 53.408 43.944 21.801 1.00 15.28 O ATOM 1584 OD2 ASP B 540 54.044 42.763 20.074 1.00 14.08 O ATOM 1585 H ASP B 540 55.365 41.795 23.752 1.00 0.00 H ATOM 1586 N VAL B 541 53.259 39.534 24.393 1.00 15.75 N ATOM 1587 CA VAL B 541 52.680 38.313 24.940 1.00 15.09 C ATOM 1588 C VAL B 541 51.976 38.614 26.259 1.00 15.12 C ATOM 1589 O VAL B 541 50.890 38.088 26.505 1.00 13.35 O ATOM 1590 CB VAL B 541 53.755 37.216 25.118 1.00 14.83 C ATOM 1591 CG1 VAL B 541 53.257 36.121 26.056 1.00 13.56 C ATOM 1592 CG2 VAL B 541 54.117 36.631 23.735 1.00 14.53 C ATOM 1593 H VAL B 541 54.288 39.593 24.253 1.00 0.00 H ATOM 1594 N TRP B 542 52.581 39.466 27.091 1.00 14.31 N ATOM 1595 CA TRP B 542 51.974 39.867 28.367 1.00 16.34 C ATOM 1596 C TRP B 542 50.608 40.517 28.078 1.00 16.84 C ATOM 1597 O TRP B 542 49.594 40.199 28.712 1.00 16.75 O ATOM 1598 CB TRP B 542 52.880 40.864 29.111 1.00 16.99 C ATOM 1599 CG TRP B 542 52.287 41.354 30.390 1.00 17.86 C ATOM 1600 CD1 TRP B 542 51.216 42.195 30.531 1.00 19.02 C ATOM 1601 CD2 TRP B 542 52.673 40.975 31.718 1.00 20.27 C ATOM 1602 NE1 TRP B 542 50.905 42.356 31.863 1.00 19.45 N ATOM 1603 CE2 TRP B 542 51.781 41.618 32.612 1.00 19.68 C ATOM 1604 CE3 TRP B 542 53.679 40.154 32.241 1.00 20.58 C ATOM 1605 CZ2 TRP B 542 51.876 41.460 34.007 1.00 20.06 C ATOM 1606 CZ3 TRP B 542 53.770 40.004 33.625 1.00 20.08 C ATOM 1607 CH2 TRP B 542 52.871 40.652 34.488 1.00 20.34 C ATOM 1608 HE1 TRP B 542 50.132 42.942 32.238 1.00 0.00 H ATOM 1609 H TRP B 542 53.508 39.857 26.828 1.00 0.00 H ATOM 1610 N SER B 543 50.599 41.423 27.102 1.00 15.86 N ATOM 1611 CA SER B 543 49.387 42.127 26.688 1.00 16.76 C ATOM 1612 C SER B 543 48.345 41.145 26.180 1.00 16.54 C ATOM 1613 O SER B 543 47.160 41.363 26.378 1.00 17.40 O ATOM 1614 CB SER B 543 49.686 43.140 25.565 1.00 15.77 C ATOM 1615 OG SER B 543 50.673 44.082 25.939 1.00 16.07 O ATOM 1616 HG SER B 543 50.362 44.586 26.732 1.00 0.00 H ATOM 1617 H SER B 543 51.492 41.639 26.614 1.00 0.00 H ATOM 1618 N PHE B 544 48.782 40.087 25.497 1.00 16.65 N ATOM 1619 CA PHE B 544 47.856 39.084 24.970 1.00 16.91 C ATOM 1620 C PHE B 544 47.164 38.377 26.118 1.00 17.73 C ATOM 1621 O PHE B 544 45.975 38.073 26.046 1.00 17.50 O ATOM 1622 CB PHE B 544 48.586 38.054 24.096 1.00 16.87 C ATOM 1623 CG PHE B 544 47.692 36.947 23.576 1.00 17.31 C ATOM 1624 CD1 PHE B 544 46.654 37.221 22.685 1.00 17.61 C ATOM 1625 CD2 PHE B 544 47.864 35.636 24.020 1.00 17.19 C ATOM 1626 CE1 PHE B 544 45.806 36.195 22.234 1.00 17.89 C ATOM 1627 CE2 PHE B 544 47.027 34.605 23.577 1.00 17.85 C ATOM 1628 CZ PHE B 544 45.988 34.885 22.688 1.00 17.35 C ATOM 1629 H PHE B 544 49.803 39.972 25.335 1.00 0.00 H ATOM 1630 N GLY B 545 47.926 38.123 27.178 1.00 18.95 N ATOM 1631 CA GLY B 545 47.384 37.469 28.356 1.00 17.93 C ATOM 1632 C GLY B 545 46.314 38.318 29.000 1.00 17.87 C ATOM 1633 O GLY B 545 45.336 37.791 29.529 1.00 19.12 O ATOM 1634 H GLY B 545 48.929 38.398 27.163 1.00 0.00 H ATOM 1635 N VAL B 546 46.509 39.633 28.975 1.00 17.24 N ATOM 1636 CA VAL B 546 45.532 40.558 29.537 1.00 17.53 C ATOM 1637 C VAL B 546 44.331 40.592 28.588 1.00 18.88 C ATOM 1638 O VAL B 546 43.184 40.654 29.033 1.00 19.50 O ATOM 1639 CB VAL B 546 46.102 41.993 29.699 1.00 18.05 C ATOM 1640 CG1 VAL B 546 45.040 42.898 30.305 1.00 17.27 C ATOM 1641 CG2 VAL B 546 47.336 41.974 30.588 1.00 18.01 C ATOM 1642 H VAL B 546 47.378 40.010 28.545 1.00 0.00 H ATOM 1643 N LEU B 547 44.593 40.540 27.282 1.00 16.45 N ATOM 1644 CA LEU B 547 43.516 40.528 26.299 1.00 17.50 C ATOM 1645 C LEU B 547 42.649 39.264 26.463 1.00 17.53 C ATOM 1646 O LEU B 547 41.430 39.326 26.322 1.00 16.43 O ATOM 1647 CB LEU B 547 44.086 40.612 24.872 1.00 18.02 C ATOM 1648 CG LEU B 547 43.051 40.566 23.735 1.00 18.50 C ATOM 1649 CD1 LEU B 547 43.595 41.241 22.482 1.00 18.48 C ATOM 1650 CD2 LEU B 547 42.681 39.118 23.454 1.00 18.14 C ATOM 1651 H LEU B 547 45.581 40.507 26.959 1.00 0.00 H ATOM 1652 N MET B 548 43.270 38.126 26.770 1.00 17.69 N ATOM 1653 CA MET B 548 42.517 36.887 26.967 1.00 17.37 C ATOM 1654 C MET B 548 41.581 37.073 28.141 1.00 17.43 C ATOM 1655 O MET B 548 40.461 36.567 28.142 1.00 16.14 O ATOM 1656 CB MET B 548 43.440 35.717 27.290 1.00 17.84 C ATOM 1657 CG MET B 548 44.133 35.111 26.122 1.00 20.17 C ATOM 1658 SD MET B 548 45.195 33.786 26.669 1.00 22.68 S ATOM 1659 CE MET B 548 43.967 32.515 27.083 1.00 21.32 C ATOM 1660 H MET B 548 44.305 38.118 26.871 1.00 0.00 H ATOM 1661 N TRP B 549 42.063 37.785 29.156 1.00 16.48 N ATOM 1662 CA TRP B 549 41.262 38.039 30.345 1.00 16.34 C ATOM 1663 C TRP B 549 40.034 38.895 29.982 1.00 15.87 C ATOM 1664 O TRP B 549 38.919 38.562 30.348 1.00 16.34 O ATOM 1665 CB TRP B 549 42.109 38.741 31.416 1.00 15.95 C ATOM 1666 CG TRP B 549 41.363 38.968 32.691 1.00 17.33 C ATOM 1667 CD1 TRP B 549 41.243 38.101 33.747 1.00 16.51 C ATOM 1668 CD2 TRP B 549 40.566 40.112 33.020 1.00 17.95 C ATOM 1669 NE1 TRP B 549 40.421 38.637 34.706 1.00 18.46 N ATOM 1670 CE2 TRP B 549 39.993 39.873 34.287 1.00 17.43 C ATOM 1671 CE3 TRP B 549 40.278 41.317 32.363 1.00 17.28 C ATOM 1672 CZ2 TRP B 549 39.152 40.788 34.912 1.00 17.68 C ATOM 1673 CZ3 TRP B 549 39.439 42.226 32.980 1.00 18.29 C ATOM 1674 CH2 TRP B 549 38.887 41.958 34.246 1.00 18.17 C ATOM 1675 HE1 TRP B 549 40.164 38.181 35.605 1.00 0.00 H ATOM 1676 H TRP B 549 43.029 38.167 29.099 1.00 0.00 H ATOM 1677 N GLU B 550 40.235 39.990 29.254 1.00 16.73 N ATOM 1678 CA GLU B 550 39.117 40.852 28.860 1.00 18.43 C ATOM 1679 C GLU B 550 38.042 40.051 28.122 1.00 18.53 C ATOM 1680 O GLU B 550 36.850 40.274 28.333 1.00 19.27 O ATOM 1681 CB GLU B 550 39.574 41.975 27.929 1.00 17.71 C ATOM 1682 CG GLU B 550 40.642 42.891 28.435 1.00 17.16 C ATOM 1683 CD GLU B 550 41.047 43.900 27.367 1.00 17.73 C ATOM 1684 OE1 GLU B 550 40.418 44.981 27.284 1.00 17.67 O ATOM 1685 OE2 GLU B 550 41.981 43.602 26.593 1.00 16.88 O ATOM 1686 H GLU B 550 41.201 40.238 28.960 1.00 0.00 H ATOM 1687 N VAL B 551 38.478 39.139 27.247 1.00 18.19 N ATOM 1688 CA VAL B 551 37.598 38.286 26.439 1.00 18.08 C ATOM 1689 C VAL B 551 36.819 37.280 27.274 1.00 18.64 C ATOM 1690 O VAL B 551 35.589 37.203 27.186 1.00 17.66 O ATOM 1691 CB VAL B 551 38.412 37.501 25.359 1.00 18.07 C ATOM 1692 CG1 VAL B 551 37.578 36.368 24.781 1.00 17.93 C ATOM 1693 CG2 VAL B 551 38.830 38.435 24.251 1.00 18.41 C ATOM 1694 H VAL B 551 39.505 39.027 27.132 1.00 0.00 H ATOM 1695 N PHE B 552 37.531 36.491 28.075 1.00 18.94 N ATOM 1696 CA PHE B 552 36.853 35.511 28.907 1.00 20.32 C ATOM 1697 C PHE B 552 35.969 36.156 29.962 1.00 20.04 C ATOM 1698 O PHE B 552 34.998 35.542 30.404 1.00 20.11 O ATOM 1699 CB PHE B 552 37.858 34.539 29.530 1.00 19.11 C ATOM 1700 CG PHE B 552 38.252 33.447 28.597 1.00 20.09 C ATOM 1701 CD1 PHE B 552 39.419 33.535 27.837 1.00 20.67 C ATOM 1702 CD2 PHE B 552 37.383 32.387 28.365 1.00 19.80 C ATOM 1703 CE1 PHE B 552 39.715 32.580 26.858 1.00 20.73 C ATOM 1704 CE2 PHE B 552 37.669 31.429 27.388 1.00 20.69 C ATOM 1705 CZ PHE B 552 38.831 31.528 26.632 1.00 20.20 C ATOM 1706 H PHE B 552 38.567 36.575 28.105 1.00 0.00 H ATOM 1707 N SER B 553 36.287 37.397 30.342 1.00 20.67 N ATOM 1708 CA SER B 553 35.492 38.125 31.324 1.00 21.20 C ATOM 1709 C SER B 553 34.404 38.922 30.598 1.00 21.84 C ATOM 1710 O SER B 553 33.643 39.661 31.225 1.00 21.76 O ATOM 1711 CB SER B 553 36.367 39.080 32.132 1.00 21.84 C ATOM 1712 OG SER B 553 36.736 40.197 31.343 1.00 22.37 O ATOM 1713 HG SER B 553 37.242 39.887 30.550 1.00 0.00 H ATOM 1714 H SER B 553 37.123 37.855 29.927 1.00 0.00 H ATOM 1715 N GLU B 554 34.347 38.775 29.274 1.00 22.64 N ATOM 1716 CA GLU B 554 33.349 39.442 28.435 1.00 23.36 C ATOM 1717 C GLU B 554 33.360 40.977 28.500 1.00 23.85 C ATOM 1718 O GLU B 554 32.322 41.612 28.712 1.00 21.58 O ATOM 1719 CB GLU B 554 31.950 38.901 28.775 1.00 24.81 C ATOM 1720 CG GLU B 554 31.847 37.377 28.612 1.00 27.13 C ATOM 1721 CD GLU B 554 30.485 36.831 28.944 1.00 29.09 C ATOM 1722 OE1 GLU B 554 30.135 36.769 30.139 1.00 31.19 O ATOM 1723 OE2 GLU B 554 29.754 36.465 28.006 1.00 30.51 O ATOM 1724 H GLU B 554 35.045 38.156 28.815 1.00 0.00 H ATOM 1725 N GLY B 555 34.543 41.564 28.336 1.00 23.91 N ATOM 1726 CA GLY B 555 34.657 43.010 28.328 1.00 24.07 C ATOM 1727 C GLY B 555 34.873 43.776 29.616 1.00 24.79 C ATOM 1728 O GLY B 555 34.784 45.001 29.600 1.00 25.77 O ATOM 1729 H GLY B 555 35.395 40.980 28.212 1.00 0.00 H ATOM 1730 N LYS B 556 35.147 43.106 30.727 1.00 25.50 N ATOM 1731 CA LYS B 556 35.370 43.835 31.974 1.00 28.10 C ATOM 1732 C LYS B 556 36.668 44.625 31.860 1.00 27.62 C ATOM 1733 O LYS B 556 37.511 44.323 31.017 1.00 27.01 O ATOM 1734 CB LYS B 556 35.442 42.873 33.166 1.00 29.39 C ATOM 1735 CG LYS B 556 34.165 42.078 33.389 1.00 31.58 C ATOM 1736 CD LYS B 556 33.836 41.929 34.871 1.00 34.33 C ATOM 1737 CE LYS B 556 33.091 43.167 35.399 1.00 35.60 C ATOM 1738 NZ LYS B 556 31.759 43.335 34.742 1.00 37.11 N ATOM 1739 HZ1 LYS B 556 31.891 43.445 33.716 1.00 0.00 H ATOM 1740 HZ2 LYS B 556 31.173 42.496 34.929 1.00 0.00 H ATOM 1741 HZ3 LYS B 556 31.289 44.180 35.125 1.00 0.00 H ATOM 1742 H LYS B 556 35.203 42.068 30.711 1.00 0.00 H ATOM 1743 N ILE B 557 36.814 45.643 32.699 1.00 28.05 N ATOM 1744 CA ILE B 557 38.009 46.484 32.704 1.00 28.93 C ATOM 1745 C ILE B 557 39.073 45.911 33.656 1.00 28.98 C ATOM 1746 O ILE B 557 38.818 45.729 34.845 1.00 29.56 O ATOM 1747 CB ILE B 557 37.649 47.915 33.156 1.00 28.36 C ATOM 1748 CG1 ILE B 557 36.682 48.540 32.155 1.00 28.46 C ATOM 1749 CG2 ILE B 557 38.907 48.755 33.309 1.00 28.45 C ATOM 1750 CD1 ILE B 557 36.069 49.850 32.628 1.00 29.71 C ATOM 1751 H ILE B 557 36.052 45.849 33.376 1.00 0.00 H ATOM 1752 N PRO B 558 40.281 45.621 33.144 1.00 28.21 N ATOM 1753 CA PRO B 558 41.339 45.071 34.000 1.00 29.32 C ATOM 1754 C PRO B 558 41.755 46.076 35.079 1.00 28.84 C ATOM 1755 O PRO B 558 41.980 47.249 34.775 1.00 28.02 O ATOM 1756 CB PRO B 558 42.489 44.814 33.020 1.00 29.00 C ATOM 1757 CG PRO B 558 41.838 44.785 31.665 1.00 28.57 C ATOM 1758 CD PRO B 558 40.777 45.834 31.775 1.00 29.09 C ATOM 1759 N TYR B 559 41.875 45.620 36.326 1.00 28.70 N ATOM 1760 CA TYR B 559 42.280 46.497 37.429 1.00 29.06 C ATOM 1761 C TYR B 559 41.424 47.766 37.356 1.00 30.34 C ATOM 1762 O TYR B 559 41.939 48.877 37.246 1.00 29.37 O ATOM 1763 CB TYR B 559 43.766 46.868 37.298 1.00 27.83 C ATOM 1764 CG TYR B 559 44.659 45.797 36.690 1.00 26.89 C ATOM 1765 CD1 TYR B 559 44.991 45.816 35.333 1.00 26.14 C ATOM 1766 CD2 TYR B 559 45.208 44.790 37.480 1.00 26.27 C ATOM 1767 CE1 TYR B 559 45.859 44.865 34.788 1.00 25.45 C ATOM 1768 CE2 TYR B 559 46.069 43.834 36.944 1.00 25.12 C ATOM 1769 CZ TYR B 559 46.395 43.880 35.606 1.00 25.22 C ATOM 1770 OH TYR B 559 47.288 42.964 35.102 1.00 25.36 O ATOM 1771 HH TYR B 559 47.416 43.128 34.134 1.00 0.00 H ATOM 1772 H TYR B 559 41.677 44.618 36.521 1.00 0.00 H ATOM 1773 N GLU B 560 40.112 47.589 37.427 1.00 32.04 N ATOM 1774 CA GLU B 560 39.177 48.695 37.318 1.00 34.87 C ATOM 1775 C GLU B 560 39.431 49.941 38.168 1.00 35.86 C ATOM 1776 O GLU B 560 39.688 51.011 37.637 1.00 36.84 O ATOM 1777 CB GLU B 560 37.767 48.181 37.577 1.00 35.74 C ATOM 1778 CG GLU B 560 36.698 48.910 36.786 1.00 37.36 C ATOM 1779 CD GLU B 560 35.401 48.126 36.729 1.00 38.47 C ATOM 1780 OE1 GLU B 560 35.438 46.923 36.382 1.00 39.21 O ATOM 1781 OE2 GLU B 560 34.342 48.711 37.026 1.00 39.24 O ATOM 1782 H GLU B 560 39.740 46.627 37.565 1.00 0.00 H ATOM 1783 N ASN B 561 39.348 49.826 39.482 1.00 37.30 N ATOM 1784 CA ASN B 561 39.559 51.005 40.331 1.00 39.68 C ATOM 1785 C ASN B 561 40.985 51.581 40.296 1.00 38.22 C ATOM 1786 O ASN B 561 41.196 52.795 40.368 1.00 37.63 O ATOM 1787 CB ASN B 561 39.223 50.674 41.800 1.00 41.49 C ATOM 1788 CG ASN B 561 37.726 50.532 42.055 1.00 43.91 C ATOM 1789 OD1 ASN B 561 37.283 50.547 43.210 1.00 44.47 O ATOM 1790 ND2 ASN B 561 36.941 50.390 40.981 1.00 44.09 N ATOM 1791 HD22 ASN B 561 37.359 50.383 40.029 1.00 0.00 H ATOM 1792 HD21 ASN B 561 35.913 50.286 41.098 1.00 0.00 H ATOM 1793 H ASN B 561 39.134 48.904 39.913 1.00 0.00 H ATOM 1794 N ARG B 562 41.945 50.672 40.186 1.00 36.70 N ATOM 1795 CA ARG B 562 43.373 50.945 40.224 1.00 33.92 C ATOM 1796 C ARG B 562 44.033 52.077 39.437 1.00 33.48 C ATOM 1797 O ARG B 562 43.784 52.258 38.244 1.00 33.55 O ATOM 1798 CB ARG B 562 44.089 49.631 39.923 1.00 33.81 C ATOM 1799 CG ARG B 562 43.366 48.402 40.553 1.00 32.71 C ATOM 1800 CD ARG B 562 43.168 48.587 42.048 1.00 32.21 C ATOM 1801 NE ARG B 562 44.432 48.452 42.764 1.00 32.20 N ATOM 1802 CZ ARG B 562 44.592 48.682 44.064 1.00 31.96 C ATOM 1803 NH1 ARG B 562 43.562 49.067 44.808 1.00 32.17 N ATOM 1804 NH2 ARG B 562 45.786 48.523 44.618 1.00 30.82 N ATOM 1805 HE ARG B 562 45.267 48.155 42.219 1.00 0.00 H ATOM 1806 HH12 ARG B 562 43.693 49.246 45.824 1.00 0.00 H ATOM 1807 HH11 ARG B 562 42.625 49.190 44.375 1.00 0.00 H ATOM 1808 HH22 ARG B 562 45.916 48.702 45.634 1.00 0.00 H ATOM 1809 HH21 ARG B 562 46.593 48.220 44.036 1.00 0.00 H ATOM 1810 H ARG B 562 41.652 49.682 40.062 1.00 0.00 H ATOM 1811 N SER B 563 44.897 52.825 40.131 1.00 32.05 N ATOM 1812 CA SER B 563 45.663 53.916 39.527 1.00 30.41 C ATOM 1813 C SER B 563 46.890 53.259 38.893 1.00 28.79 C ATOM 1814 O SER B 563 47.143 52.075 39.120 1.00 26.58 O ATOM 1815 CB SER B 563 46.099 54.928 40.591 1.00 30.83 C ATOM 1816 OG SER B 563 47.018 54.357 41.503 1.00 31.47 O ATOM 1817 HG SER B 563 47.279 55.035 42.175 1.00 0.00 H ATOM 1818 H SER B 563 45.030 52.623 41.142 1.00 0.00 H ATOM 1819 N ASN B 564 47.656 54.008 38.107 1.00 28.43 N ATOM 1820 CA ASN B 564 48.826 53.418 37.462 1.00 27.62 C ATOM 1821 C ASN B 564 49.860 52.950 38.460 1.00 26.80 C ATOM 1822 O ASN B 564 50.436 51.876 38.301 1.00 25.66 O ATOM 1823 CB ASN B 564 49.479 54.399 36.481 1.00 29.27 C ATOM 1824 CG ASN B 564 48.711 54.522 35.174 1.00 30.31 C ATOM 1825 OD1 ASN B 564 47.748 53.788 34.929 1.00 30.47 O ATOM 1826 ND2 ASN B 564 49.142 55.448 34.325 1.00 30.14 N ATOM 1827 HD22 ASN B 564 49.957 56.043 34.575 1.00 0.00 H ATOM 1828 HD21 ASN B 564 48.664 55.578 33.411 1.00 0.00 H ATOM 1829 H ASN B 564 47.423 55.010 37.952 1.00 0.00 H ATOM 1830 N SER B 565 50.098 53.760 39.487 1.00 25.66 N ATOM 1831 CA SER B 565 51.079 53.415 40.506 1.00 25.69 C ATOM 1832 C SER B 565 50.621 52.200 41.294 1.00 25.20 C ATOM 1833 O SER B 565 51.440 51.422 41.785 1.00 25.69 O ATOM 1834 CB SER B 565 51.339 54.605 41.448 1.00 26.76 C ATOM 1835 OG SER B 565 50.161 55.029 42.112 1.00 28.70 O ATOM 1836 HG SER B 565 49.801 54.281 42.652 1.00 0.00 H ATOM 1837 H SER B 565 49.575 54.655 39.564 1.00 0.00 H ATOM 1838 N GLU B 566 49.310 52.026 41.410 1.00 24.78 N ATOM 1839 CA GLU B 566 48.781 50.877 42.127 1.00 23.89 C ATOM 1840 C GLU B 566 48.926 49.620 41.286 1.00 23.77 C ATOM 1841 O GLU B 566 49.286 48.567 41.805 1.00 22.68 O ATOM 1842 CB GLU B 566 47.314 51.088 42.489 1.00 24.53 C ATOM 1843 CG GLU B 566 47.111 52.174 43.533 1.00 26.21 C ATOM 1844 CD GLU B 566 45.662 52.356 43.924 1.00 27.58 C ATOM 1845 OE1 GLU B 566 44.795 52.442 43.032 1.00 27.02 O ATOM 1846 OE2 GLU B 566 45.389 52.432 45.134 1.00 29.40 O ATOM 1847 H GLU B 566 48.657 52.716 40.986 1.00 0.00 H ATOM 1848 N VAL B 567 48.642 49.726 39.988 1.00 22.80 N ATOM 1849 CA VAL B 567 48.764 48.577 39.108 1.00 21.71 C ATOM 1850 C VAL B 567 50.230 48.200 39.037 1.00 22.01 C ATOM 1851 O VAL B 567 50.572 47.024 39.045 1.00 22.41 O ATOM 1852 CB VAL B 567 48.259 48.870 37.686 1.00 21.88 C ATOM 1853 CG1 VAL B 567 48.643 47.719 36.761 1.00 21.04 C ATOM 1854 CG2 VAL B 567 46.744 49.055 37.697 1.00 21.12 C ATOM 1855 H VAL B 567 48.330 50.640 39.602 1.00 0.00 H ATOM 1856 N VAL B 568 51.102 49.195 38.958 1.00 20.85 N ATOM 1857 CA VAL B 568 52.522 48.907 38.911 1.00 19.98 C ATOM 1858 C VAL B 568 52.943 48.164 40.186 1.00 21.30 C ATOM 1859 O VAL B 568 53.600 47.128 40.124 1.00 19.38 O ATOM 1860 CB VAL B 568 53.341 50.199 38.783 1.00 19.75 C ATOM 1861 CG1 VAL B 568 54.822 49.902 39.019 1.00 20.30 C ATOM 1862 CG2 VAL B 568 53.114 50.806 37.414 1.00 19.41 C ATOM 1863 H VAL B 568 50.768 50.180 38.930 1.00 0.00 H ATOM 1864 N GLU B 569 52.553 48.687 41.342 1.00 21.52 N ATOM 1865 CA GLU B 569 52.928 48.054 42.595 1.00 22.13 C ATOM 1866 C GLU B 569 52.335 46.660 42.788 1.00 21.85 C ATOM 1867 O GLU B 569 53.056 45.733 43.162 1.00 21.22 O ATOM 1868 CB GLU B 569 52.554 48.946 43.782 1.00 23.65 C ATOM 1869 CG GLU B 569 52.901 48.328 45.142 1.00 24.95 C ATOM 1870 CD GLU B 569 53.126 49.378 46.215 1.00 26.15 C ATOM 1871 OE1 GLU B 569 52.513 50.463 46.133 1.00 27.24 O ATOM 1872 OE2 GLU B 569 53.909 49.120 47.150 1.00 28.51 O ATOM 1873 H GLU B 569 51.977 49.553 41.351 1.00 0.00 H ATOM 1874 N ASP B 570 51.036 46.501 42.537 1.00 20.93 N ATOM 1875 CA ASP B 570 50.401 45.194 42.704 1.00 20.90 C ATOM 1876 C ASP B 570 51.029 44.131 41.816 1.00 21.01 C ATOM 1877 O ASP B 570 51.338 43.037 42.280 1.00 20.27 O ATOM 1878 CB ASP B 570 48.899 45.258 42.421 1.00 22.39 C ATOM 1879 CG ASP B 570 48.130 45.979 43.513 1.00 25.07 C ATOM 1880 OD1 ASP B 570 48.572 45.964 44.686 1.00 25.71 O ATOM 1881 OD2 ASP B 570 47.068 46.558 43.207 1.00 26.41 O ATOM 1882 H ASP B 570 50.469 47.313 42.220 1.00 0.00 H ATOM 1883 N ILE B 571 51.210 44.450 40.539 1.00 19.67 N ATOM 1884 CA ILE B 571 51.807 43.509 39.601 1.00 19.91 C ATOM 1885 C ILE B 571 53.211 43.068 40.038 1.00 20.98 C ATOM 1886 O ILE B 571 53.535 41.875 40.036 1.00 20.15 O ATOM 1887 CB ILE B 571 51.901 44.127 38.184 1.00 20.48 C ATOM 1888 CG1 ILE B 571 50.512 44.162 37.531 1.00 20.24 C ATOM 1889 CG2 ILE B 571 52.925 43.369 37.349 1.00 19.41 C ATOM 1890 CD1 ILE B 571 49.863 42.804 37.378 1.00 21.58 C ATOM 1891 H ILE B 571 50.920 45.390 40.202 1.00 0.00 H ATOM 1892 N SER B 572 54.037 44.041 40.407 1.00 21.38 N ATOM 1893 CA SER B 572 55.407 43.777 40.831 1.00 22.48 C ATOM 1894 C SER B 572 55.505 42.889 42.066 1.00 23.76 C ATOM 1895 O SER B 572 56.500 42.186 42.241 1.00 24.53 O ATOM 1896 CB SER B 572 56.128 45.098 41.094 1.00 22.59 C ATOM 1897 OG SER B 572 56.171 45.881 39.911 1.00 22.45 O ATOM 1898 HG SER B 572 56.641 46.732 40.097 1.00 0.00 H ATOM 1899 H SER B 572 53.695 45.023 40.393 1.00 0.00 H ATOM 1900 N THR B 573 54.489 42.925 42.924 1.00 24.59 N ATOM 1901 CA THR B 573 54.508 42.103 44.122 1.00 25.23 C ATOM 1902 C THR B 573 53.830 40.766 43.836 1.00 25.64 C ATOM 1903 O THR B 573 53.621 39.958 44.734 1.00 25.98 O ATOM 1904 CB THR B 573 53.831 42.816 45.317 1.00 25.80 C ATOM 1905 OG1 THR B 573 52.416 42.828 45.133 1.00 28.03 O ATOM 1906 CG2 THR B 573 54.319 44.252 45.425 1.00 24.92 C ATOM 1907 HG1 THR B 573 52.197 43.310 44.296 1.00 0.00 H ATOM 1908 H THR B 573 53.676 43.546 42.736 1.00 0.00 H ATOM 1909 N GLY B 574 53.487 40.541 42.569 1.00 26.23 N ATOM 1910 CA GLY B 574 52.884 39.275 42.178 1.00 25.26 C ATOM 1911 C GLY B 574 51.392 39.183 41.905 1.00 24.51 C ATOM 1912 O GLY B 574 50.900 38.092 41.615 1.00 25.42 O ATOM 1913 H GLY B 574 53.651 41.276 41.852 1.00 0.00 H ATOM 1914 N PHE B 575 50.668 40.296 42.006 1.00 24.16 N ATOM 1915 CA PHE B 575 49.231 40.295 41.749 1.00 22.49 C ATOM 1916 C PHE B 575 48.967 39.925 40.298 1.00 21.85 C ATOM 1917 O PHE B 575 49.720 40.303 39.397 1.00 22.05 O ATOM 1918 CB PHE B 575 48.622 41.680 42.013 1.00 23.05 C ATOM 1919 CG PHE B 575 47.123 41.750 41.797 1.00 22.69 C ATOM 1920 CD1 PHE B 575 46.241 41.241 42.748 1.00 23.44 C ATOM 1921 CD2 PHE B 575 46.597 42.271 40.616 1.00 23.66 C ATOM 1922 CE1 PHE B 575 44.865 41.274 42.535 1.00 22.84 C ATOM 1923 CE2 PHE B 575 45.209 42.305 40.395 1.00 23.28 C ATOM 1924 CZ PHE B 575 44.349 41.794 41.349 1.00 22.92 C ATOM 1925 H PHE B 575 51.136 41.185 42.274 1.00 0.00 H ATOM 1926 N ARG B 576 47.894 39.177 40.081 1.00 20.93 N ATOM 1927 CA ARG B 576 47.496 38.782 38.738 1.00 20.55 C ATOM 1928 C ARG B 576 45.973 38.792 38.694 1.00 21.39 C ATOM 1929 O ARG B 576 45.328 38.400 39.671 1.00 21.07 O ATOM 1930 CB ARG B 576 48.023 37.387 38.403 1.00 19.53 C ATOM 1931 CG ARG B 576 49.518 37.322 38.277 1.00 19.60 C ATOM 1932 CD ARG B 576 50.001 38.109 37.076 1.00 18.30 C ATOM 1933 NE ARG B 576 51.432 37.931 36.867 1.00 18.64 N ATOM 1934 CZ ARG B 576 52.383 38.565 37.551 1.00 18.49 C ATOM 1935 NH1 ARG B 576 52.063 39.441 38.498 1.00 17.24 N ATOM 1936 NH2 ARG B 576 53.663 38.313 37.294 1.00 17.40 N ATOM 1937 HE ARG B 576 51.732 37.261 36.131 1.00 0.00 H ATOM 1938 HH12 ARG B 576 52.812 39.932 39.027 1.00 0.00 H ATOM 1939 HH11 ARG B 576 51.064 39.636 38.710 1.00 0.00 H ATOM 1940 HH22 ARG B 576 54.407 38.807 37.827 1.00 0.00 H ATOM 1941 HH21 ARG B 576 53.920 37.622 36.560 1.00 0.00 H ATOM 1942 H ARG B 576 47.322 38.864 40.891 1.00 0.00 H ATOM 1943 N LEU B 577 45.411 39.272 37.582 1.00 21.07 N ATOM 1944 CA LEU B 577 43.959 39.316 37.398 1.00 21.52 C ATOM 1945 C LEU B 577 43.371 37.940 37.715 1.00 22.10 C ATOM 1946 O LEU B 577 43.974 36.907 37.400 1.00 20.88 O ATOM 1947 CB LEU B 577 43.613 39.695 35.955 1.00 21.84 C ATOM 1948 CG LEU B 577 44.071 41.080 35.485 1.00 22.20 C ATOM 1949 CD1 LEU B 577 44.135 41.112 33.956 1.00 21.42 C ATOM 1950 CD2 LEU B 577 43.141 42.156 36.044 1.00 21.00 C ATOM 1951 H LEU B 577 46.025 39.626 36.821 1.00 0.00 H ATOM 1952 N TYR B 578 42.195 37.945 38.343 1.00 23.32 N ATOM 1953 CA TYR B 578 41.487 36.728 38.734 1.00 24.40 C ATOM 1954 C TYR B 578 41.000 35.933 37.522 1.00 25.97 C ATOM 1955 O TYR B 578 41.015 36.423 36.388 1.00 24.78 O ATOM 1956 CB TYR B 578 40.288 37.087 39.616 1.00 24.78 C ATOM 1957 CG TYR B 578 39.212 37.872 38.893 1.00 24.84 C ATOM 1958 CD1 TYR B 578 38.321 37.236 38.030 1.00 24.97 C ATOM 1959 CD2 TYR B 578 39.099 39.259 39.057 1.00 25.73 C ATOM 1960 CE1 TYR B 578 37.348 37.955 37.346 1.00 25.37 C ATOM 1961 CE2 TYR B 578 38.127 39.988 38.379 1.00 25.68 C ATOM 1962 CZ TYR B 578 37.252 39.331 37.524 1.00 26.11 C ATOM 1963 OH TYR B 578 36.280 40.045 36.846 1.00 27.14 O ATOM 1964 HH TYR B 578 35.748 39.426 36.285 1.00 0.00 H ATOM 1965 H TYR B 578 41.759 38.862 38.566 1.00 0.00 H ATOM 1966 N LYS B 579 40.552 34.707 37.769 1.00 26.93 N ATOM 1967 CA LYS B 579 40.061 33.858 36.696 1.00 27.28 C ATOM 1968 C LYS B 579 38.574 34.089 36.492 1.00 26.88 C ATOM 1969 O LYS B 579 37.774 33.871 37.406 1.00 24.81 O ATOM 1970 CB LYS B 579 40.296 32.380 37.027 1.00 28.77 C ATOM 1971 CG LYS B 579 39.631 31.391 36.027 1.00 30.21 C ATOM 1972 CD LYS B 579 39.242 30.061 36.708 1.00 32.04 C ATOM 1973 CE LYS B 579 40.490 29.297 37.148 1.00 33.90 C ATOM 1974 NZ LYS B 579 40.203 28.118 38.037 1.00 35.50 N ATOM 1975 HZ1 LYS B 579 39.722 28.445 38.899 1.00 0.00 H ATOM 1976 HZ2 LYS B 579 39.592 27.445 37.532 1.00 0.00 H ATOM 1977 HZ3 LYS B 579 41.097 27.652 38.293 1.00 0.00 H ATOM 1978 H LYS B 579 40.553 34.349 38.745 1.00 0.00 H ATOM 1979 N PRO B 580 38.185 34.563 35.294 1.00 25.97 N ATOM 1980 CA PRO B 580 36.759 34.797 35.023 1.00 26.35 C ATOM 1981 C PRO B 580 36.071 33.427 35.031 1.00 26.74 C ATOM 1982 O PRO B 580 36.685 32.413 34.685 1.00 25.76 O ATOM 1983 CB PRO B 580 36.762 35.427 33.634 1.00 25.73 C ATOM 1984 CG PRO B 580 38.103 36.093 33.557 1.00 25.64 C ATOM 1985 CD PRO B 580 39.024 35.076 34.195 1.00 25.76 C ATOM 1986 N ARG B 581 34.803 33.390 35.421 1.00 28.10 N ATOM 1987 CA ARG B 581 34.084 32.123 35.488 1.00 29.78 C ATOM 1988 C ARG B 581 34.142 31.325 34.190 1.00 28.96 C ATOM 1989 O ARG B 581 34.339 30.114 34.220 1.00 28.91 O ATOM 1990 CB ARG B 581 32.617 32.355 35.890 1.00 31.74 C ATOM 1991 CG ARG B 581 31.798 33.196 34.898 1.00 34.52 C ATOM 1992 CD ARG B 581 30.479 33.731 35.534 1.00 37.08 C ATOM 1993 NE ARG B 581 30.504 35.180 35.759 1.00 38.96 N ATOM 1994 CZ ARG B 581 29.476 35.877 36.237 1.00 40.08 C ATOM 1995 NH1 ARG B 581 28.337 35.260 36.539 1.00 40.76 N ATOM 1996 NH2 ARG B 581 29.580 37.190 36.418 1.00 40.44 N ATOM 1997 HE ARG B 581 31.379 35.694 35.531 1.00 0.00 H ATOM 1998 HH12 ARG B 581 27.534 35.805 36.913 1.00 0.00 H ATOM 1999 HH11 ARG B 581 28.250 34.233 36.402 1.00 0.00 H ATOM 2000 HH22 ARG B 581 28.773 37.729 36.792 1.00 0.00 H ATOM 2001 HH21 ARG B 581 30.468 37.678 36.186 1.00 0.00 H ATOM 2002 H ARG B 581 34.318 34.272 35.681 1.00 0.00 H ATOM 2003 N LEU B 582 33.987 31.997 33.052 1.00 27.40 N ATOM 2004 CA LEU B 582 33.993 31.299 31.772 1.00 27.70 C ATOM 2005 C LEU B 582 35.347 30.750 31.325 1.00 27.32 C ATOM 2006 O LEU B 582 35.448 30.115 30.272 1.00 28.77 O ATOM 2007 CB LEU B 582 33.400 32.201 30.687 1.00 26.49 C ATOM 2008 CG LEU B 582 31.887 32.436 30.798 1.00 26.89 C ATOM 2009 CD1 LEU B 582 31.417 33.406 29.721 1.00 25.81 C ATOM 2010 CD2 LEU B 582 31.168 31.114 30.667 1.00 25.69 C ATOM 2011 H LEU B 582 33.860 33.029 33.076 1.00 0.00 H ATOM 2012 N ALA B 583 36.386 30.979 32.121 1.00 26.51 N ATOM 2013 CA ALA B 583 37.709 30.476 31.774 1.00 25.84 C ATOM 2014 C ALA B 583 38.049 29.228 32.580 1.00 25.27 C ATOM 2015 O ALA B 583 37.903 29.207 33.800 1.00 24.50 O ATOM 2016 CB ALA B 583 38.765 31.553 32.009 1.00 25.10 C ATOM 2017 H ALA B 583 36.254 31.521 32.998 1.00 0.00 H ATOM 2018 N SER B 584 38.505 28.192 31.885 1.00 24.74 N ATOM 2019 CA SER B 584 38.881 26.943 32.525 1.00 25.47 C ATOM 2020 C SER B 584 40.228 27.094 33.215 1.00 26.13 C ATOM 2021 O SER B 584 40.977 28.033 32.943 1.00 26.47 O ATOM 2022 CB SER B 584 38.981 25.827 31.487 1.00 24.51 C ATOM 2023 OG SER B 584 40.123 25.994 30.670 1.00 23.61 O ATOM 2024 HG SER B 584 40.164 25.259 30.008 1.00 0.00 H ATOM 2025 H SER B 584 38.596 28.277 30.852 1.00 0.00 H ATOM 2026 N THR B 585 40.538 26.163 34.106 1.00 27.33 N ATOM 2027 CA THR B 585 41.807 26.184 34.808 1.00 27.42 C ATOM 2028 C THR B 585 42.964 26.115 33.805 1.00 26.88 C ATOM 2029 O THR B 585 44.038 26.664 34.043 1.00 27.71 O ATOM 2030 CB THR B 585 41.878 25.011 35.810 1.00 28.88 C ATOM 2031 OG1 THR B 585 41.109 23.910 35.314 1.00 30.04 O ATOM 2032 CG2 THR B 585 41.311 25.432 37.159 1.00 29.63 C ATOM 2033 HG1 THR B 585 40.166 24.191 35.202 1.00 0.00 H ATOM 2034 H THR B 585 39.858 25.402 34.306 1.00 0.00 H ATOM 2035 N HIS B 586 42.736 25.446 32.679 1.00 26.67 N ATOM 2036 CA HIS B 586 43.750 25.340 31.641 1.00 26.10 C ATOM 2037 C HIS B 586 43.920 26.689 30.938 1.00 24.96 C ATOM 2038 O HIS B 586 45.037 27.118 30.655 1.00 23.61 O ATOM 2039 CB HIS B 586 43.368 24.235 30.651 1.00 28.28 C ATOM 2040 CG HIS B 586 43.935 22.892 31.007 1.00 30.73 C ATOM 2041 ND1 HIS B 586 45.124 22.424 30.488 1.00 31.26 N ATOM 2042 CD2 HIS B 586 43.498 21.942 31.870 1.00 31.22 C ATOM 2043 CE1 HIS B 586 45.397 21.241 31.017 1.00 32.19 C ATOM 2044 NE2 HIS B 586 44.428 20.928 31.858 1.00 32.17 N ATOM 2045 H HIS B 586 41.813 24.989 32.537 1.00 0.00 H ATOM 2046 N VAL B 587 42.809 27.363 30.667 1.00 24.06 N ATOM 2047 CA VAL B 587 42.856 28.683 30.038 1.00 23.51 C ATOM 2048 C VAL B 587 43.583 29.655 30.969 1.00 23.29 C ATOM 2049 O VAL B 587 44.407 30.454 30.529 1.00 21.15 O ATOM 2050 CB VAL B 587 41.433 29.224 29.762 1.00 23.64 C ATOM 2051 CG1 VAL B 587 41.493 30.673 29.324 1.00 22.47 C ATOM 2052 CG2 VAL B 587 40.759 28.376 28.699 1.00 23.60 C ATOM 2053 H VAL B 587 41.887 26.945 30.906 1.00 0.00 H ATOM 2054 N TYR B 588 43.276 29.570 32.261 1.00 23.41 N ATOM 2055 CA TYR B 588 43.902 30.429 33.258 1.00 23.84 C ATOM 2056 C TYR B 588 45.407 30.173 33.416 1.00 24.94 C ATOM 2057 O TYR B 588 46.150 31.073 33.792 1.00 26.82 O ATOM 2058 CB TYR B 588 43.206 30.258 34.618 1.00 23.01 C ATOM 2059 CG TYR B 588 43.522 31.365 35.613 1.00 22.84 C ATOM 2060 CD1 TYR B 588 43.418 32.709 35.240 1.00 21.38 C ATOM 2061 CD2 TYR B 588 43.913 31.073 36.926 1.00 22.72 C ATOM 2062 CE1 TYR B 588 43.693 33.728 36.132 1.00 21.99 C ATOM 2063 CE2 TYR B 588 44.186 32.102 37.842 1.00 22.43 C ATOM 2064 CZ TYR B 588 44.072 33.428 37.430 1.00 22.83 C ATOM 2065 OH TYR B 588 44.322 34.467 38.305 1.00 22.89 O ATOM 2066 HH TYR B 588 44.191 35.330 37.837 1.00 0.00 H ATOM 2067 H TYR B 588 42.570 28.871 32.568 1.00 0.00 H ATOM 2068 N GLN B 589 45.855 28.950 33.151 1.00 25.21 N ATOM 2069 CA GLN B 589 47.272 28.635 33.266 1.00 26.10 C ATOM 2070 C GLN B 589 47.999 29.401 32.179 1.00 25.27 C ATOM 2071 O GLN B 589 49.040 30.014 32.413 1.00 25.16 O ATOM 2072 CB GLN B 589 47.516 27.130 33.086 1.00 28.82 C ATOM 2073 CG GLN B 589 47.016 26.244 34.248 1.00 32.21 C ATOM 2074 CD GLN B 589 47.129 24.744 33.946 1.00 35.08 C ATOM 2075 OE1 GLN B 589 46.802 23.896 34.790 1.00 35.87 O ATOM 2076 NE2 GLN B 589 47.594 24.414 32.740 1.00 36.16 N ATOM 2077 HE22 GLN B 589 47.857 25.158 32.062 1.00 0.00 H ATOM 2078 HE21 GLN B 589 47.694 23.413 32.477 1.00 0.00 H ATOM 2079 H GLN B 589 45.186 28.210 32.858 1.00 0.00 H ATOM 2080 N ILE B 590 47.431 29.371 30.982 1.00 24.83 N ATOM 2081 CA ILE B 590 48.019 30.064 29.849 1.00 24.64 C ATOM 2082 C ILE B 590 48.099 31.580 30.094 1.00 24.60 C ATOM 2083 O ILE B 590 49.114 32.208 29.774 1.00 24.84 O ATOM 2084 CB ILE B 590 47.236 29.717 28.560 1.00 25.10 C ATOM 2085 CG1 ILE B 590 47.550 28.260 28.182 1.00 25.56 C ATOM 2086 CG2 ILE B 590 47.584 30.693 27.428 1.00 25.72 C ATOM 2087 CD1 ILE B 590 46.867 27.777 26.929 1.00 25.58 C ATOM 2088 H ILE B 590 46.546 28.840 30.851 1.00 0.00 H ATOM 2089 N MET B 591 47.049 32.152 30.684 1.00 23.75 N ATOM 2090 CA MET B 591 47.017 33.576 31.004 1.00 22.47 C ATOM 2091 C MET B 591 48.179 33.892 31.936 1.00 22.02 C ATOM 2092 O MET B 591 48.908 34.872 31.741 1.00 20.65 O ATOM 2093 CB MET B 591 45.698 33.947 31.690 1.00 22.68 C ATOM 2094 CG MET B 591 44.460 33.885 30.765 1.00 23.64 C ATOM 2095 SD MET B 591 42.973 34.538 31.547 1.00 26.62 S ATOM 2096 CE MET B 591 41.692 33.860 30.512 1.00 25.62 C ATOM 2097 H MET B 591 46.225 31.564 30.924 1.00 0.00 H ATOM 2098 N ASN B 592 48.355 33.052 32.949 1.00 21.30 N ATOM 2099 CA ASN B 592 49.439 33.246 33.897 1.00 21.85 C ATOM 2100 C ASN B 592 50.828 33.018 33.308 1.00 21.61 C ATOM 2101 O ASN B 592 51.804 33.581 33.793 1.00 22.06 O ATOM 2102 CB ASN B 592 49.237 32.363 35.121 1.00 22.55 C ATOM 2103 CG ASN B 592 48.310 32.997 36.128 1.00 23.04 C ATOM 2104 OD1 ASN B 592 47.155 32.610 36.257 1.00 23.68 O ATOM 2105 ND2 ASN B 592 48.811 33.999 36.834 1.00 22.63 N ATOM 2106 HD22 ASN B 592 49.798 34.294 36.691 1.00 0.00 H ATOM 2107 HD21 ASN B 592 48.217 34.491 37.532 1.00 0.00 H ATOM 2108 H ASN B 592 47.709 32.245 33.065 1.00 0.00 H ATOM 2109 N HIS B 593 50.923 32.186 32.279 1.00 21.83 N ATOM 2110 CA HIS B 593 52.205 31.953 31.638 1.00 22.42 C ATOM 2111 C HIS B 593 52.581 33.240 30.912 1.00 20.50 C ATOM 2112 O HIS B 593 53.749 33.635 30.898 1.00 16.14 O ATOM 2113 CB HIS B 593 52.097 30.786 30.653 1.00 24.92 C ATOM 2114 CG HIS B 593 51.997 29.444 31.321 1.00 28.44 C ATOM 2115 ND1 HIS B 593 51.847 29.297 32.684 1.00 29.89 N ATOM 2116 CD2 HIS B 593 52.022 28.188 30.807 1.00 30.30 C ATOM 2117 CE1 HIS B 593 51.786 28.008 32.984 1.00 30.17 C ATOM 2118 NE2 HIS B 593 51.889 27.316 31.865 1.00 30.39 N ATOM 2119 H HIS B 593 50.074 31.698 31.929 1.00 0.00 H ATOM 2120 N CYS B 594 51.573 33.896 30.327 1.00 19.50 N ATOM 2121 CA CYS B 594 51.769 35.157 29.601 1.00 19.18 C ATOM 2122 C CYS B 594 52.185 36.255 30.573 1.00 19.57 C ATOM 2123 O CYS B 594 52.806 37.248 30.180 1.00 18.98 O ATOM 2124 CB CYS B 594 50.478 35.587 28.891 1.00 18.63 C ATOM 2125 SG CYS B 594 49.915 34.494 27.540 1.00 19.21 S ATOM 2126 H CYS B 594 50.614 33.498 30.389 1.00 0.00 H ATOM 2127 N TRP B 595 51.841 36.057 31.848 1.00 20.24 N ATOM 2128 CA TRP B 595 52.156 37.024 32.889 1.00 20.45 C ATOM 2129 C TRP B 595 53.369 36.693 33.749 1.00 20.27 C ATOM 2130 O TRP B 595 53.477 37.173 34.865 1.00 20.51 O ATOM 2131 CB TRP B 595 50.940 37.261 33.791 1.00 19.44 C ATOM 2132 CG TRP B 595 49.714 37.722 33.052 1.00 20.02 C ATOM 2133 CD1 TRP B 595 49.669 38.544 31.953 1.00 19.04 C ATOM 2134 CD2 TRP B 595 48.356 37.405 33.371 1.00 19.44 C ATOM 2135 NE1 TRP B 595 48.364 38.754 31.570 1.00 19.74 N ATOM 2136 CE2 TRP B 595 47.538 38.071 32.420 1.00 19.34 C ATOM 2137 CE3 TRP B 595 47.749 36.627 34.366 1.00 19.24 C ATOM 2138 CZ2 TRP B 595 46.137 37.975 32.441 1.00 18.59 C ATOM 2139 CZ3 TRP B 595 46.356 36.535 34.385 1.00 19.27 C ATOM 2140 CH2 TRP B 595 45.568 37.208 33.426 1.00 18.76 C ATOM 2141 HE1 TRP B 595 48.056 39.337 30.766 1.00 0.00 H ATOM 2142 H TRP B 595 51.333 35.186 32.105 1.00 0.00 H ATOM 2143 N LYS B 596 54.277 35.874 33.239 1.00 21.75 N ATOM 2144 CA LYS B 596 55.495 35.560 33.977 1.00 22.75 C ATOM 2145 C LYS B 596 56.274 36.875 34.078 1.00 23.63 C ATOM 2146 O LYS B 596 56.360 37.613 33.098 1.00 22.16 O ATOM 2147 CB LYS B 596 56.336 34.538 33.215 1.00 24.40 C ATOM 2148 CG LYS B 596 55.764 33.145 33.176 1.00 26.61 C ATOM 2149 CD LYS B 596 55.597 32.607 34.568 1.00 28.27 C ATOM 2150 CE LYS B 596 55.333 31.117 34.532 1.00 30.93 C ATOM 2151 NZ LYS B 596 54.781 30.618 35.841 1.00 32.12 N ATOM 2152 HZ1 LYS B 596 55.464 30.812 36.601 1.00 0.00 H ATOM 2153 HZ2 LYS B 596 53.885 31.105 36.046 1.00 0.00 H ATOM 2154 HZ3 LYS B 596 54.613 29.594 35.777 1.00 0.00 H ATOM 2155 H LYS B 596 54.119 35.450 32.302 1.00 0.00 H ATOM 2156 N GLU B 597 56.836 37.171 35.252 1.00 25.98 N ATOM 2157 CA GLU B 597 57.595 38.412 35.445 1.00 28.47 C ATOM 2158 C GLU B 597 58.782 38.518 34.493 1.00 28.50 C ATOM 2159 O GLU B 597 59.148 39.618 34.088 1.00 27.94 O ATOM 2160 CB GLU B 597 58.084 38.557 36.900 1.00 31.27 C ATOM 2161 CG GLU B 597 58.815 39.939 37.184 1.00 33.21 C ATOM 2162 CD GLU B 597 59.146 40.128 38.642 1.00 36.30 C ATOM 2163 OE1 GLU B 597 58.783 39.271 39.528 1.00 37.70 O ATOM 2164 OE2 GLU B 597 59.797 41.183 38.907 1.00 37.20 O ATOM 2165 H GLU B 597 56.734 36.508 36.047 1.00 0.00 H ATOM 2166 N ARG B 598 59.385 37.387 34.139 1.00 29.53 N ATOM 2167 CA ARG B 598 60.510 37.408 33.209 1.00 31.50 C ATOM 2168 C ARG B 598 60.049 37.100 31.788 1.00 30.35 C ATOM 2169 O ARG B 598 59.427 36.071 31.541 1.00 30.59 O ATOM 2170 CB ARG B 598 61.586 36.400 33.625 1.00 33.54 C ATOM 2171 CG ARG B 598 62.256 36.744 34.915 1.00 36.72 C ATOM 2172 CD ARG B 598 63.637 36.076 35.036 1.00 38.98 C ATOM 2173 NE ARG B 598 64.128 36.117 36.417 1.00 41.23 N ATOM 2174 CZ ARG B 598 64.278 37.231 37.136 1.00 41.67 C ATOM 2175 NH1 ARG B 598 63.982 38.414 36.606 1.00 41.97 N ATOM 2176 NH2 ARG B 598 64.702 37.161 38.397 1.00 42.20 N ATOM 2177 HE ARG B 598 64.377 35.214 36.868 1.00 0.00 H ATOM 2178 HH12 ARG B 598 64.100 39.280 37.169 1.00 0.00 H ATOM 2179 HH11 ARG B 598 63.632 38.473 35.628 1.00 0.00 H ATOM 2180 HH22 ARG B 598 64.818 38.031 38.956 1.00 0.00 H ATOM 2181 HH21 ARG B 598 64.917 36.237 38.823 1.00 0.00 H ATOM 2182 H ARG B 598 59.053 36.481 34.527 1.00 0.00 H ATOM 2183 N PRO B 599 60.349 37.993 30.835 1.00 28.80 N ATOM 2184 CA PRO B 599 59.957 37.798 29.436 1.00 28.91 C ATOM 2185 C PRO B 599 60.431 36.463 28.853 1.00 29.37 C ATOM 2186 O PRO B 599 59.725 35.818 28.081 1.00 27.43 O ATOM 2187 CB PRO B 599 60.571 39.005 28.735 1.00 28.71 C ATOM 2188 CG PRO B 599 61.666 39.434 29.653 1.00 28.72 C ATOM 2189 CD PRO B 599 61.070 39.261 30.999 1.00 28.45 C ATOM 2190 N GLU B 600 61.623 36.042 29.247 1.00 30.54 N ATOM 2191 CA GLU B 600 62.198 34.785 28.783 1.00 31.41 C ATOM 2192 C GLU B 600 61.339 33.594 29.233 1.00 30.51 C ATOM 2193 O GLU B 600 61.378 32.522 28.632 1.00 30.62 O ATOM 2194 CB GLU B 600 63.606 34.639 29.359 1.00 33.75 C ATOM 2195 CG GLU B 600 63.565 34.614 30.884 1.00 36.55 C ATOM 2196 CD GLU B 600 64.906 34.843 31.550 1.00 38.03 C ATOM 2197 OE1 GLU B 600 65.824 34.008 31.360 1.00 39.57 O ATOM 2198 OE2 GLU B 600 65.031 35.858 32.277 1.00 38.74 O ATOM 2199 H GLU B 600 62.168 36.628 29.911 1.00 0.00 H ATOM 2200 N ASP B 601 60.568 33.774 30.299 1.00 29.33 N ATOM 2201 CA ASP B 601 59.734 32.681 30.789 1.00 28.09 C ATOM 2202 C ASP B 601 58.352 32.673 30.162 1.00 26.38 C ATOM 2203 O ASP B 601 57.592 31.720 30.328 1.00 26.90 O ATOM 2204 CB ASP B 601 59.607 32.726 32.313 1.00 29.11 C ATOM 2205 CG ASP B 601 60.954 32.680 33.011 1.00 30.81 C ATOM 2206 OD1 ASP B 601 61.799 31.844 32.611 1.00 31.27 O ATOM 2207 OD2 ASP B 601 61.167 33.476 33.958 1.00 31.96 O ATOM 2208 H ASP B 601 60.558 34.694 30.785 1.00 0.00 H ATOM 2209 N ARG B 602 58.015 33.731 29.440 1.00 23.62 N ATOM 2210 CA ARG B 602 56.718 33.767 28.788 1.00 22.04 C ATOM 2211 C ARG B 602 56.823 32.997 27.474 1.00 21.48 C ATOM 2212 O ARG B 602 57.837 33.055 26.789 1.00 21.22 O ATOM 2213 CB ARG B 602 56.288 35.209 28.521 1.00 22.01 C ATOM 2214 CG ARG B 602 56.073 36.037 29.781 1.00 21.39 C ATOM 2215 CD ARG B 602 56.002 37.532 29.461 1.00 22.27 C ATOM 2216 NE ARG B 602 56.469 38.322 30.594 1.00 22.52 N ATOM 2217 CZ ARG B 602 56.925 39.563 30.502 1.00 22.15 C ATOM 2218 NH1 ARG B 602 56.975 40.160 29.324 1.00 20.76 N ATOM 2219 NH2 ARG B 602 57.345 40.200 31.588 1.00 23.56 N ATOM 2220 HE ARG B 602 56.443 37.883 31.536 1.00 0.00 H ATOM 2221 HH12 ARG B 602 57.332 41.134 29.249 1.00 0.00 H ATOM 2222 HH11 ARG B 602 56.657 39.656 28.472 1.00 0.00 H ATOM 2223 HH22 ARG B 602 57.703 41.174 31.514 1.00 0.00 H ATOM 2224 HH21 ARG B 602 57.317 39.725 32.513 1.00 0.00 H ATOM 2225 H ARG B 602 58.674 34.529 29.341 1.00 0.00 H ATOM 2226 N PRO B 603 55.768 32.257 27.105 1.00 20.85 N ATOM 2227 CA PRO B 603 55.801 31.493 25.851 1.00 20.73 C ATOM 2228 C PRO B 603 55.761 32.406 24.622 1.00 20.83 C ATOM 2229 O PRO B 603 55.231 33.513 24.690 1.00 22.20 O ATOM 2230 CB PRO B 603 54.543 30.628 25.953 1.00 19.86 C ATOM 2231 CG PRO B 603 53.586 31.550 26.678 1.00 19.65 C ATOM 2232 CD PRO B 603 54.464 32.100 27.784 1.00 20.19 C ATOM 2233 N ALA B 604 56.308 31.945 23.501 1.00 20.59 N ATOM 2234 CA ALA B 604 56.277 32.731 22.269 1.00 19.54 C ATOM 2235 C ALA B 604 54.871 32.593 21.685 1.00 19.32 C ATOM 2236 O ALA B 604 54.190 31.602 21.948 1.00 19.82 O ATOM 2237 CB ALA B 604 57.301 32.198 21.278 1.00 18.33 C ATOM 2238 H ALA B 604 56.765 31.011 23.501 1.00 0.00 H ATOM 2239 N PHE B 605 54.425 33.575 20.904 1.00 19.15 N ATOM 2240 CA PHE B 605 53.093 33.479 20.294 1.00 20.23 C ATOM 2241 C PHE B 605 52.969 32.191 19.471 1.00 20.53 C ATOM 2242 O PHE B 605 51.903 31.575 19.427 1.00 20.07 O ATOM 2243 CB PHE B 605 52.796 34.692 19.402 1.00 18.51 C ATOM 2244 CG PHE B 605 52.330 35.912 20.163 1.00 17.95 C ATOM 2245 CD1 PHE B 605 53.110 37.073 20.196 1.00 15.85 C ATOM 2246 CD2 PHE B 605 51.091 35.911 20.817 1.00 16.74 C ATOM 2247 CE1 PHE B 605 52.665 38.218 20.871 1.00 16.62 C ATOM 2248 CE2 PHE B 605 50.637 37.045 21.493 1.00 15.63 C ATOM 2249 CZ PHE B 605 51.423 38.206 21.518 1.00 15.93 C ATOM 2250 H PHE B 605 55.020 34.409 20.726 1.00 0.00 H ATOM 2251 N SER B 606 54.058 31.787 18.819 1.00 21.29 N ATOM 2252 CA SER B 606 54.044 30.557 18.033 1.00 22.74 C ATOM 2253 C SER B 606 53.747 29.366 18.953 1.00 23.57 C ATOM 2254 O SER B 606 53.140 28.384 18.525 1.00 23.52 O ATOM 2255 CB SER B 606 55.389 30.354 17.309 1.00 22.81 C ATOM 2256 OG SER B 606 56.452 30.081 18.207 1.00 24.46 O ATOM 2257 HG SER B 606 56.250 29.255 18.714 1.00 0.00 H ATOM 2258 H SER B 606 54.928 32.354 18.871 1.00 0.00 H ATOM 2259 N ARG B 607 54.158 29.457 20.220 1.00 23.51 N ATOM 2260 CA ARG B 607 53.906 28.375 21.166 1.00 24.13 C ATOM 2261 C ARG B 607 52.482 28.500 21.679 1.00 23.64 C ATOM 2262 O ARG B 607 51.761 27.507 21.764 1.00 22.72 O ATOM 2263 CB ARG B 607 54.885 28.424 22.334 1.00 26.23 C ATOM 2264 CG ARG B 607 54.785 27.214 23.305 1.00 29.82 C ATOM 2265 CD ARG B 607 55.879 27.342 24.351 1.00 33.53 C ATOM 2266 NE ARG B 607 55.888 26.331 25.408 1.00 37.68 N ATOM 2267 CZ ARG B 607 57.002 25.752 25.856 1.00 39.53 C ATOM 2268 NH1 ARG B 607 58.171 26.080 25.312 1.00 40.68 N ATOM 2269 NH2 ARG B 607 56.954 24.881 26.866 1.00 40.04 N ATOM 2270 HE ARG B 607 54.980 26.050 25.831 1.00 0.00 H ATOM 2271 HH12 ARG B 607 59.047 25.635 25.653 1.00 0.00 H ATOM 2272 HH11 ARG B 607 58.209 26.782 24.545 1.00 0.00 H ATOM 2273 HH22 ARG B 607 57.828 24.434 27.209 1.00 0.00 H ATOM 2274 HH21 ARG B 607 56.043 24.649 27.310 1.00 0.00 H ATOM 2275 H ARG B 607 54.664 30.309 20.536 1.00 0.00 H ATOM 2276 N LEU B 608 52.079 29.726 22.015 1.00 22.76 N ATOM 2277 CA LEU B 608 50.722 29.996 22.490 1.00 21.21 C ATOM 2278 C LEU B 608 49.672 29.476 21.521 1.00 20.67 C ATOM 2279 O LEU B 608 48.626 28.990 21.929 1.00 20.15 O ATOM 2280 CB LEU B 608 50.511 31.496 22.675 1.00 20.68 C ATOM 2281 CG LEU B 608 51.080 32.029 23.977 1.00 21.30 C ATOM 2282 CD1 LEU B 608 50.948 33.544 24.032 1.00 22.03 C ATOM 2283 CD2 LEU B 608 50.329 31.371 25.124 1.00 21.13 C ATOM 2284 H LEU B 608 52.751 30.516 21.937 1.00 0.00 H ATOM 2285 N LEU B 609 49.952 29.584 20.232 1.00 20.89 N ATOM 2286 CA LEU B 609 49.014 29.133 19.223 1.00 20.26 C ATOM 2287 C LEU B 609 48.690 27.632 19.369 1.00 21.73 C ATOM 2288 O LEU B 609 47.514 27.232 19.376 1.00 19.37 O ATOM 2289 CB LEU B 609 49.596 29.449 17.848 1.00 20.41 C ATOM 2290 CG LEU B 609 48.672 29.602 16.644 1.00 20.53 C ATOM 2291 CD1 LEU B 609 47.443 30.473 16.953 1.00 18.97 C ATOM 2292 CD2 LEU B 609 49.520 30.195 15.529 1.00 20.64 C ATOM 2293 H LEU B 609 50.859 29.999 19.938 1.00 0.00 H ATOM 2294 N ARG B 610 49.725 26.801 19.492 1.00 22.74 N ATOM 2295 CA ARG B 610 49.516 25.362 19.649 1.00 23.88 C ATOM 2296 C ARG B 610 48.823 25.073 20.981 1.00 22.48 C ATOM 2297 O ARG B 610 47.893 24.272 21.048 1.00 21.35 O ATOM 2298 CB ARG B 610 50.844 24.615 19.619 1.00 25.80 C ATOM 2299 CG ARG B 610 51.705 24.902 18.430 1.00 29.53 C ATOM 2300 CD ARG B 610 53.124 24.443 18.728 1.00 31.58 C ATOM 2301 NE ARG B 610 54.114 25.137 17.916 1.00 34.20 N ATOM 2302 CZ ARG B 610 55.328 25.458 18.350 1.00 35.66 C ATOM 2303 NH1 ARG B 610 55.690 25.151 19.594 1.00 35.72 N ATOM 2304 NH2 ARG B 610 56.185 26.076 17.540 1.00 36.34 N ATOM 2305 HE ARG B 610 53.856 25.396 16.942 1.00 0.00 H ATOM 2306 HH12 ARG B 610 56.640 25.401 19.936 1.00 0.00 H ATOM 2307 HH11 ARG B 610 55.023 24.661 20.224 1.00 0.00 H ATOM 2308 HH22 ARG B 610 57.135 26.327 17.881 1.00 0.00 H ATOM 2309 HH21 ARG B 610 55.905 26.308 16.566 1.00 0.00 H ATOM 2310 H ARG B 610 50.693 27.181 19.476 1.00 0.00 H ATOM 2311 N GLN B 611 49.290 25.719 22.042 1.00 20.91 N ATOM 2312 CA GLN B 611 48.699 25.536 23.356 1.00 20.73 C ATOM 2313 C GLN B 611 47.215 25.893 23.342 1.00 20.08 C ATOM 2314 O GLN B 611 46.409 25.164 23.897 1.00 19.39 O ATOM 2315 CB GLN B 611 49.441 26.379 24.389 1.00 21.83 C ATOM 2316 CG GLN B 611 50.814 25.824 24.740 1.00 23.49 C ATOM 2317 CD GLN B 611 51.593 26.708 25.708 1.00 24.19 C ATOM 2318 OE1 GLN B 611 52.576 26.273 26.299 1.00 26.16 O ATOM 2319 NE2 GLN B 611 51.161 27.949 25.864 1.00 24.34 N ATOM 2320 HE22 GLN B 611 50.323 28.277 25.343 1.00 0.00 H ATOM 2321 HE21 GLN B 611 51.660 28.596 26.507 1.00 0.00 H ATOM 2322 H GLN B 611 50.094 26.369 21.930 1.00 0.00 H ATOM 2323 N LEU B 612 46.851 27.003 22.710 1.00 19.17 N ATOM 2324 CA LEU B 612 45.444 27.392 22.634 1.00 20.31 C ATOM 2325 C LEU B 612 44.658 26.390 21.787 1.00 20.34 C ATOM 2326 O LEU B 612 43.570 25.962 22.182 1.00 20.31 O ATOM 2327 CB LEU B 612 45.291 28.804 22.054 1.00 20.33 C ATOM 2328 CG LEU B 612 45.850 29.949 22.915 1.00 21.01 C ATOM 2329 CD1 LEU B 612 45.707 31.293 22.221 1.00 20.97 C ATOM 2330 CD2 LEU B 612 45.126 29.961 24.237 1.00 21.00 C ATOM 2331 H LEU B 612 47.575 27.602 22.264 1.00 0.00 H ATOM 2332 N ALA B 613 45.198 26.008 20.631 1.00 20.76 N ATOM 2333 CA ALA B 613 44.520 25.032 19.782 1.00 22.49 C ATOM 2334 C ALA B 613 44.338 23.719 20.547 1.00 23.56 C ATOM 2335 O ALA B 613 43.288 23.084 20.453 1.00 22.35 O ATOM 2336 CB ALA B 613 45.318 24.787 18.497 1.00 21.53 C ATOM 2337 H ALA B 613 46.110 26.408 20.330 1.00 0.00 H ATOM 2338 N GLU B 614 45.359 23.319 21.306 1.00 26.01 N ATOM 2339 CA GLU B 614 45.307 22.088 22.094 1.00 28.38 C ATOM 2340 C GLU B 614 44.159 22.117 23.093 1.00 28.12 C ATOM 2341 O GLU B 614 43.476 21.113 23.294 1.00 28.02 O ATOM 2342 CB GLU B 614 46.623 21.876 22.837 1.00 30.50 C ATOM 2343 CG GLU B 614 46.636 20.628 23.722 1.00 34.39 C ATOM 2344 CD GLU B 614 48.047 20.141 24.033 1.00 37.39 C ATOM 2345 OE1 GLU B 614 48.185 19.114 24.739 1.00 38.91 O ATOM 2346 OE2 GLU B 614 49.022 20.782 23.571 1.00 39.55 O ATOM 2347 H GLU B 614 46.220 23.901 21.339 1.00 0.00 H ATOM 2348 N ILE B 615 43.951 23.274 23.716 1.00 28.11 N ATOM 2349 CA ILE B 615 42.881 23.455 24.692 1.00 28.27 C ATOM 2350 C ILE B 615 41.523 23.418 23.997 1.00 28.30 C ATOM 2351 O ILE B 615 40.558 22.891 24.542 1.00 28.76 O ATOM 2352 CB ILE B 615 43.046 24.803 25.461 1.00 28.92 C ATOM 2353 CG1 ILE B 615 44.278 24.733 26.368 1.00 28.55 C ATOM 2354 CG2 ILE B 615 41.798 25.107 26.286 1.00 29.13 C ATOM 2355 CD1 ILE B 615 44.363 25.845 27.361 1.00 28.92 C ATOM 2356 H ILE B 615 44.573 24.079 23.500 1.00 0.00 H ATOM 2357 N ALA B 616 41.454 23.967 22.789 1.00 28.53 N ATOM 2358 CA ALA B 616 40.210 23.987 22.027 1.00 29.38 C ATOM 2359 C ALA B 616 39.718 22.582 21.671 1.00 29.76 C ATOM 2360 O ALA B 616 38.513 22.317 21.684 1.00 29.52 O ATOM 2361 CB ALA B 616 40.385 24.819 20.760 1.00 28.46 C ATOM 2362 H ALA B 616 42.308 24.393 22.376 1.00 0.00 H TER 2363 ALA B 616 HETATM 2364 O HOH 1 23.573 29.732 12.666 1.00 47.82 O HETATM 2365 O HOH 2 29.553 19.760 17.119 1.00 33.76 O HETATM 2366 O HOH 3 26.912 18.531 27.912 1.00 53.01 O HETATM 2367 O HOH 4 38.010 16.654 20.037 1.00 20.95 O HETATM 2368 O HOH 5 37.251 19.934 16.599 1.00 36.44 O HETATM 2369 O HOH 6 40.373 13.824 22.122 1.00 35.83 O HETATM 2370 O HOH 7 35.987 21.027 13.131 1.00 17.35 O HETATM 2371 O HOH 8 38.224 12.623 15.391 1.00 49.37 O HETATM 2372 O HOH 9 36.938 17.620 28.392 1.00 31.71 O HETATM 2373 O HOH 10 26.357 27.622 12.512 1.00 45.89 O HETATM 2374 O HOH 11 37.875 14.476 12.748 1.00 32.31 O HETATM 2375 O HOH 12 17.482 25.979 22.913 1.00 54.23 O HETATM 2376 O HOH 13 29.106 16.013 27.369 1.00 43.18 O HETATM 2377 O HOH 14 32.423 23.283 10.724 1.00 47.00 O HETATM 2378 O HOH 15 31.561 14.216 27.159 1.00 34.54 O HETATM 2379 O HOH 16 36.080 20.378 24.056 1.00 39.03 O HETATM 2380 O HOH 17 29.955 21.782 21.802 1.00 23.17 O HETATM 2381 O HOH 18 26.835 36.737 20.063 1.00 55.28 O HETATM 2382 O HOH 19 29.490 31.116 33.883 1.00 43.56 O HETATM 2383 O HOH 20 57.177 30.161 10.414 1.00 22.37 O HETATM 2384 O HOH 21 61.909 37.201 10.374 1.00 40.76 O HETATM 2385 O HOH 22 59.489 53.795 24.274 1.00 43.87 O HETATM 2386 O HOH 23 41.111 43.349 38.360 1.00 42.18 O HETATM 2387 O HOH 24 37.236 52.384 39.170 1.00 52.25 O HETATM 2388 O HOH 25 41.202 33.317 40.491 1.00 28.76 O HETATM 2389 O HOH 26 38.893 20.972 25.753 1.00 32.89 O HETATM 2390 O HOH 27 42.108 20.000 26.206 1.00 50.26 O HETATM 2391 O HOH 28 50.797 30.330 38.623 1.00 55.29 O HETATM 2392 O HOH 29 56.189 35.576 37.643 1.00 29.85 O HETATM 2393 O HOH 30 60.991 32.062 23.478 1.00 34.37 O HETATM 2394 O HOH 31 58.435 29.878 23.758 1.00 25.84 O HETATM 2395 O HOH 32 47.844 23.254 25.843 1.00 25.26 O HETATM 2396 O HOH 33 54.592 45.164 23.787 1.00 18.23 O HETATM 2397 O HOH 34 38.891 48.976 27.080 1.00 35.50 O HETATM 2398 O HOH 35 39.627 62.496 22.558 1.00 55.35 O HETATM 2399 O HOH 36 34.336 58.922 18.840 1.00 35.89 O HETATM 2400 O HOH 37 48.803 49.017 45.884 1.00 44.25 O HETATM 2401 O HOH 38 26.083 29.945 25.971 1.00 35.66 O HETATM 2402 O HOH 39 27.510 50.742 9.586 1.00 52.83 O HETATM 2403 O HOH 40 61.931 51.277 38.147 1.00 35.05 O HETATM 2404 O HOH 41 28.489 48.757 -2.314 1.00 27.77 O HETATM 2405 O HOH 42 41.402 19.963 29.444 1.00 59.42 O HETATM 2406 O HOH 43 29.529 61.666 13.065 1.00 36.97 O HETATM 2407 O HOH 44 32.094 25.775 25.412 1.00 48.64 O HETATM 2408 O HOH 45 60.086 46.454 12.887 1.00 41.39 O HETATM 2409 O HOH 46 58.693 32.081 17.779 1.00 31.80 O HETATM 2410 O HOH 47 32.880 42.910 8.445 1.00 31.39 O HETATM 2411 O HOH 48 46.657 29.616 39.215 1.00 57.81 O HETATM 2412 O HOH 49 59.186 34.804 35.658 1.00 35.89 O HETATM 2413 O HOH 50 62.549 35.501 25.602 1.00 31.29 O HETATM 2414 O HOH 51 39.457 18.870 25.393 1.00 27.77 O HETATM 2415 O HOH 52 37.278 43.715 2.768 1.00 36.75 O HETATM 2416 O HOH 53 35.298 40.695 8.370 1.00 32.87 O HETATM 2417 O HOH 54 41.010 47.290 25.777 1.00 24.46 O HETATM 2418 O HOH 55 50.741 45.891 34.038 1.00 14.31 O HETATM 2419 O HOH 56 55.053 40.483 18.388 1.00 16.69 O HETATM 2420 O HOH 57 50.745 46.122 46.472 1.00 36.08 O HETATM 2421 O HOH 58 60.363 45.942 41.753 1.00 37.58 O HETATM 2422 O HOH 59 57.182 27.852 19.228 1.00 36.99 O HETATM 2423 O HOH 60 48.332 49.585 0.145 1.00 12.48 O HETATM 2424 O HOH 61 33.112 46.181 4.210 1.00 41.50 O HETATM 2425 O HOH 62 51.050 35.073 5.220 1.00 52.30 O HETATM 2426 O HOH 63 47.498 39.869 35.542 1.00 18.53 O HETATM 2427 O HOH 64 62.733 39.064 25.490 1.00 41.66 O HETATM 2428 O HOH 65 29.995 27.934 27.243 1.00 36.17 O HETATM 2429 O HOH 66 36.267 33.977 16.312 1.00 29.43 O HETATM 2430 O HOH 67 61.385 40.429 20.291 1.00 35.61 O HETATM 2431 O HOH 68 60.646 41.880 33.641 1.00 49.90 O HETATM 2432 O HOH 69 33.600 57.826 -1.759 1.00 17.29 O HETATM 2433 O HOH 70 59.228 46.762 15.336 1.00 49.24 O HETATM 2434 O HOH 71 28.943 33.492 32.842 1.00 47.91 O HETATM 2435 O HOH 72 27.989 49.301 3.449 1.00 47.74 O HETATM 2436 O HOH 73 59.639 50.549 8.399 1.00 48.95 O HETATM 2437 O HOH 74 55.501 33.423 15.623 1.00 24.07 O HETATM 2438 O HOH 75 54.809 53.457 34.820 1.00 54.81 O HETATM 2439 O HOH 76 61.828 57.843 23.593 1.00 51.48 O HETATM 2440 O HOH 77 50.257 53.674 44.711 1.00 25.94 O HETATM 2441 O HOH 78 33.707 34.719 32.512 1.00 24.86 O HETATM 2442 O HOH 79 33.459 22.702 32.822 1.00 50.53 O HETATM 2443 O HOH 80 37.660 28.201 28.908 1.00 27.97 O HETATM 2444 O HOH 81 40.589 23.309 30.135 1.00 38.69 O HETATM 2445 O HOH 82 51.384 34.865 36.176 1.00 21.12 O HETATM 2446 O HOH 83 48.547 18.993 28.286 1.00 75.70 O HETATM 2447 O HOH 84 43.609 61.041 25.594 1.00 52.02 O HETATM 2448 O HOH 85 36.415 46.017 1.930 1.00 33.79 O HETATM 2449 O HOH 86 52.980 56.106 0.816 1.00 33.63 O HETATM 2450 O HOH 87 47.859 44.377 6.728 1.00 35.52 O HETATM 2451 O HOH 88 50.104 68.102 4.679 1.00 47.55 O HETATM 2452 O HOH 89 63.556 42.792 21.164 1.00 32.54 O HETATM 2453 O HOH 90 49.443 56.800 39.203 1.00 37.76 O HETATM 2454 O HOH 91 58.460 47.495 39.756 1.00 33.83 O HETATM 2455 O HOH 92 52.927 70.256 8.877 1.00 52.57 O HETATM 2456 O HOH 93 32.891 39.572 5.068 1.00 56.42 O HETATM 2457 O HOH 94 47.456 57.303 30.465 1.00 62.33 O HETATM 2458 O HOH 95 39.637 21.427 28.045 1.00 34.75 O HETATM 2459 O HOH 96 25.386 62.128 18.103 1.00 46.68 O HETATM 2460 O HOH 97 38.926 39.370 5.560 1.00 50.60 O HETATM 2461 O HOH 98 40.149 64.805 3.593 1.00 48.63 O HETATM 2462 O HOH 99 59.500 37.556 8.122 1.00 46.75 O HETATM 2463 O HOH 100 45.571 58.455 27.943 1.00 56.16 O HETATM 2464 O HOH 101 53.199 32.552 12.126 1.00 21.09 O HETATM 2465 O HOH 102 49.716 55.653 -5.563 1.00 31.86 O HETATM 2466 O HOH 103 34.883 64.452 1.578 1.00 47.17 O HETATM 2467 O HOH 104 36.316 30.981 13.872 1.00 51.92 O HETATM 2468 O HOH 105 38.741 41.757 1.716 1.00 31.78 O HETATM 2469 O HOH 106 45.459 51.289 -4.322 1.00 41.26 O HETATM 2470 O HOH 107 51.360 45.203 23.219 1.00 22.91 O HETATM 2471 O HOH 108 50.361 51.000 45.206 1.00 33.38 O HETATM 2472 O HOH 109 49.558 28.458 36.584 1.00 45.63 O HETATM 2473 O HOH 110 55.443 30.118 41.598 1.00 71.43 O HETATM 2474 O HOH 111 41.072 21.249 36.703 1.00 71.11 O HETATM 2475 O HOH 112 34.954 25.903 32.186 1.00 43.83 O HETATM 2476 O HOH 113 36.879 65.748 -7.907 1.00 56.61 O HETATM 2477 O HOH 114 46.561 72.486 -3.220 1.00 54.05 O HETATM 2478 O HOH 115 47.722 55.687 43.551 1.00 41.37 O HETATM 2479 O HOH 116 26.057 44.354 32.827 1.00 52.70 O HETATM 2480 O HOH 117 60.683 60.168 13.347 1.00 50.52 O HETATM 2481 O HOH 118 29.821 48.025 -0.210 1.00 53.66 O HETATM 2482 O HOH 119 54.535 66.886 10.488 1.00 50.48 O HETATM 2483 O HOH 120 31.764 46.551 19.071 1.00 37.80 O HETATM 2484 O HOH 121 32.531 50.962 29.373 1.00 61.41 O HETATM 2485 O HOH 122 60.397 40.078 5.156 1.00 53.88 O HETATM 2486 O HOH 123 53.414 52.004 29.935 1.00 47.92 O HETATM 2487 O HOH 124 41.321 50.584 32.413 1.00 50.23 O HETATM 2488 O HOH 125 27.403 44.861 18.424 1.00 67.21 O HETATM 2489 O HOH 126 52.952 28.736 28.386 1.00 37.65 O HETATM 2490 O HOH 127 53.251 28.240 35.695 1.00 42.02 O HETATM 2491 O HOH 128 37.439 63.801 1.287 1.00 38.34 O HETATM 2492 O HOH 129 35.019 64.854 -0.974 1.00 53.32 O HETATM 2493 O HOH 130 30.817 63.750 1.015 1.00 36.80 O HETATM 2494 O HOH 131 32.304 62.673 -0.902 1.00 45.06 O HETATM 2495 O HOH 132 30.603 63.586 8.289 1.00 46.03 O HETATM 2496 O HOH 133 47.894 69.129 10.439 1.00 44.71 O HETATM 2497 O HOH 134 58.845 57.745 12.146 1.00 44.65 O HETATM 2498 O HOH 135 35.551 47.078 4.116 1.00 22.14 O HETATM 2499 O HOH 136 25.849 44.212 12.183 1.00 39.63 O HETATM 2500 O HOH 137 31.821 39.058 33.187 1.00 34.97 O HETATM 2501 O HOH 138 25.160 32.075 26.549 1.00 37.18 O HETATM 2502 O HOH 139 27.506 32.100 29.582 1.00 48.80 O HETATM 2503 O HOH 140 60.019 42.728 26.800 1.00 19.44 O HETATM 2504 O HOH 141 66.525 51.330 29.996 1.00 27.56 O HETATM 2505 O HOH 142 58.132 32.649 38.038 1.00 47.04 O HETATM 2506 O HOH 143 44.333 58.186 23.187 1.00 48.00 O HETATM 2507 O HOH 144 42.894 40.458 6.552 1.00 19.95 O HETATM 2508 O HOH 145 28.874 31.907 21.032 1.00 31.28 O HETATM 2509 O HOH 146 55.330 36.706 9.494 1.00 31.84 O HETATM 2510 O HOH 147 58.834 45.812 10.095 1.00 49.36 O HETATM 2511 O HOH 148 50.942 49.107 16.935 1.00 23.13 O HETATM 2512 O HOH 149 64.790 53.377 29.013 1.00 48.13 O HETATM 2513 O HOH 150 56.285 52.624 28.231 1.00 40.75 O HETATM 2514 O HOH 151 28.783 48.578 29.504 1.00 47.39 O HETATM 2515 O HOH 152 38.954 44.268 38.006 1.00 35.17 O HETATM 2516 O HOH 153 38.809 51.267 35.315 1.00 42.46 O HETATM 2517 O HOH 154 35.316 33.254 38.789 1.00 45.03 O HETATM 2518 O HOH 155 53.022 27.566 38.343 1.00 42.07 O HETATM 2519 O HOH 156 41.628 17.942 24.663 1.00 51.08 O HETATM 2520 O HOH 157 43.904 18.541 23.430 1.00 36.90 O HETATM 2521 O HOH 158 50.282 67.475 11.836 1.00 40.57 O HETATM 2522 O HOH 159 32.520 63.440 2.821 1.00 30.95 O HETATM 2523 O HOH 160 40.566 64.263 24.868 1.00 50.36 O HETATM 2524 O HOH 161 38.948 60.315 9.991 1.00 42.46 O HETATM 2525 O HOH 162 47.553 66.401 8.440 1.00 33.63 O HETATM 2526 O HOH 163 57.899 55.499 20.330 1.00 45.88 O HETATM 2527 O HOH 164 54.391 67.027 16.307 1.00 33.59 O HETATM 2528 O HOH 165 62.426 47.923 8.958 1.00 46.40 O HETATM 2529 O HOH 166 53.314 63.872 3.437 1.00 44.43 O HETATM 2530 O HOH 167 36.325 43.002 5.411 1.00 53.61 O HETATM 2531 O HOH 168 25.588 42.318 16.690 1.00 45.96 O HETATM 2532 O HOH 169 28.442 34.422 28.020 1.00 38.96 O HETATM 2533 O HOH 170 30.907 46.084 33.218 1.00 30.79 O HETATM 2534 O HOH 171 24.826 39.925 31.818 1.00 54.33 O HETATM 2535 O HOH 172 37.661 27.288 20.830 1.00 32.53 O HETATM 2536 O HOH 173 48.877 44.009 33.308 1.00 21.36 O HETATM 2537 O HOH 174 46.020 47.256 40.945 1.00 41.45 O HETATM 2538 O HOH 175 52.483 35.622 40.445 1.00 43.64 O HETATM 2539 O HOH 176 45.079 32.469 41.885 1.00 61.59 O HETATM 2540 O HOH 177 51.748 30.570 35.983 1.00 50.77 O HETATM 2541 O HOH 178 50.147 24.896 33.070 1.00 47.31 O HETATM 2542 O HOH 179 59.106 29.708 27.012 1.00 44.49 O HETATM 2543 O HOH 180 60.792 36.726 38.135 1.00 46.73 O HETATM 2544 O HOH 181 56.435 22.206 21.729 1.00 54.77 O HETATM 2545 O HOH 182 57.357 21.448 24.683 1.00 52.08 O HETATM 2546 O HOH 183 56.228 53.852 30.285 1.00 44.13 O HETATM 2547 O HOH 184 61.907 52.387 23.737 1.00 45.65 O HETATM 2548 O HOH 185 58.469 20.142 31.225 1.00 44.21 O HETATM 2549 O HOH 186 60.383 18.484 19.625 1.00 41.89 O HETATM 2550 O HOH 187 64.544 49.846 24.538 1.00 44.04 O HETATM 2551 O HOH 188 46.074 61.882 -1.460 1.00 24.32 O HETATM 2552 O HOH 189 33.559 63.826 13.108 1.00 38.70 O HETATM 2553 O HOH 190 41.445 63.493 -0.327 1.00 36.97 O HETATM 2554 O HOH 191 33.624 59.840 -3.509 1.00 33.75 O HETATM 2555 O HOH 192 49.173 62.562 23.899 1.00 37.38 O HETATM 2556 O HOH 193 33.661 46.348 -0.324 1.00 25.79 O HETATM 2557 O HOH 194 34.730 42.454 2.296 1.00 34.66 O HETATM 2558 O HOH 195 25.377 50.107 4.439 1.00 35.20 O HETATM 2559 O HOH 196 47.921 56.961 15.003 1.00 38.19 O HETATM 2560 O HOH 197 42.387 67.626 14.815 1.00 37.93 O HETATM 2561 O HOH 198 57.449 67.000 13.974 1.00 35.64 O HETATM 2562 O HOH 199 57.168 41.347 5.597 1.00 35.56 O HETATM 2563 O HOH 200 40.490 37.644 6.791 1.00 25.71 O HETATM 2564 O HOH 201 40.623 41.996 4.220 1.00 32.80 O HETATM 2565 O HOH 202 47.533 45.870 4.789 1.00 32.19 O HETATM 2566 O HOH 203 44.676 64.258 2.307 1.00 31.22 O HETATM 2567 O HOH 204 35.553 43.394 7.436 1.00 44.08 O HETATM 2568 O HOH 205 30.819 46.328 7.148 1.00 29.78 O HETATM 2569 O HOH 206 33.639 49.445 18.724 1.00 37.83 O HETATM 2570 O HOH 207 30.795 48.950 26.191 1.00 32.01 O HETATM 2571 O HOH 208 28.049 34.390 19.862 1.00 35.03 O HETATM 2572 O HOH 209 30.740 36.875 32.553 1.00 37.93 O HETATM 2573 O HOH 210 37.576 26.085 27.310 1.00 32.14 O HETATM 2574 O HOH 211 35.830 34.020 11.582 1.00 38.81 O HETATM 2575 O HOH 212 60.963 35.139 14.988 1.00 37.12 O HETATM 2576 O HOH 213 53.006 46.307 25.568 1.00 31.04 O HETATM 2577 O HOH 214 53.241 45.099 27.522 1.00 27.70 O HETATM 2578 O HOH 215 61.380 44.117 34.861 1.00 29.28 O HETATM 2579 O HOH 216 63.495 47.436 21.747 1.00 37.07 O HETATM 2580 O HOH 217 36.859 44.834 36.048 1.00 28.09 O HETATM 2581 O HOH 218 55.970 39.140 45.487 1.00 33.94 O HETATM 2582 O HOH 219 46.799 37.560 42.974 1.00 28.48 O HETATM 2583 O HOH 220 42.856 35.749 41.938 1.00 24.79 O HETATM 2584 O HOH 221 43.039 38.342 41.497 1.00 29.17 O HETATM 2585 O HOH 222 38.881 23.409 34.543 1.00 30.52 O HETATM 2586 O HOH 223 47.261 29.548 36.659 1.00 29.05 O HETATM 2587 O HOH 224 53.505 34.646 38.298 1.00 33.91 O HETATM 2588 O HOH 225 63.695 37.337 30.632 1.00 25.86 O HETATM 2589 O HOH 226 58.810 27.752 21.181 1.00 38.27 O HETATM 2590 O HOH 227 52.485 26.479 15.315 1.00 33.02 O HETATM 2591 O HOH 228 54.676 25.833 28.856 1.00 36.68 O HETATM 2592 O HOH 229 55.600 21.301 16.243 1.00 34.37 O HETATM 2593 O HOH 230 51.978 22.044 15.673 1.00 31.79 O HETATM 2594 O HOH 231 52.245 22.006 26.977 1.00 35.54 O HETATM 2595 O HOH 232 33.672 57.734 -6.940 1.00 32.28 O HETATM 2596 O HOH 233 42.800 67.830 22.013 1.00 30.79 O HETATM 2597 O HOH 234 62.355 48.947 23.204 1.00 25.27 O HETATM 2598 O HOH 235 62.606 42.210 26.994 1.00 30.55 O HETATM 2599 O HOH 236 61.767 48.912 20.661 1.00 29.24 O HETATM 2600 O HOH 237 34.465 46.266 33.736 1.00 30.03 O HETATM 2601 O HOH 238 36.864 43.066 37.884 1.00 34.99 O HETATM 2602 O HOH 239 47.308 57.301 38.133 1.00 27.75 O HETATM 2603 O HOH 240 53.917 51.970 41.995 1.00 25.53 O HETATM 2604 O HOH 241 57.282 41.880 46.398 1.00 30.91 O HETATM 2605 O HOH 242 41.251 40.544 41.969 1.00 29.38 O HETATM 2606 O HOH 243 42.886 27.831 38.179 1.00 32.85 O HETATM 2607 O HOH 244 36.524 25.116 37.380 1.00 32.14 O HETATM 2608 O HOH 245 36.871 24.560 34.510 1.00 34.66 O HETATM 2609 O HOH 246 33.417 23.889 38.080 1.00 33.98 O HETATM 2610 O HOH 247 61.252 30.876 38.024 1.00 33.40 O HETATM 2611 O HOH 248 39.465 66.690 16.535 1.00 26.42 O HETATM 2612 O HOH 249 41.129 65.453 15.148 1.00 34.18 O HETATM 2613 O HOH 250 32.079 44.265 -2.896 1.00 25.55 O HETATM 2614 O HOH 251 31.921 47.361 1.354 1.00 32.41 O HETATM 2615 O HOH 252 49.297 56.107 12.195 1.00 32.05 O HETATM 2616 O HOH 253 56.825 57.612 7.350 1.00 25.38 O HETATM 2617 O HOH 254 64.077 57.655 9.511 1.00 32.94 O HETATM 2618 O HOH 255 62.967 59.175 3.112 1.00 32.11 O HETATM 2619 O HOH 256 37.280 40.567 6.664 1.00 31.82 O HETATM 2620 O HOH 257 53.145 67.224 -1.241 1.00 35.21 O HETATM 2621 O HOH 258 53.184 68.432 -3.669 1.00 34.48 O HETATM 2622 O HOH 259 50.322 63.733 -2.832 1.00 34.92 O HETATM 2623 O HOH 260 29.308 47.444 20.998 1.00 30.13 O HETATM 2624 O HOH 261 27.974 45.861 29.974 1.00 36.91 O HETATM 2625 O HOH 262 23.755 40.937 26.364 1.00 30.08 O HETATM 2626 O HOH 263 23.747 37.995 30.670 1.00 33.16 O HETATM 2627 O HOH 264 29.496 31.091 17.171 1.00 31.16 O HETATM 2628 O HOH 265 27.942 36.164 31.382 1.00 31.95 O HETATM 2629 O HOH 266 27.284 26.427 25.305 1.00 32.46 O HETATM 2630 O HOH 267 37.225 33.549 13.447 1.00 26.68 O HETATM 2631 O HOH 268 61.819 45.634 14.076 1.00 35.05 O HETATM 2632 O HOH 269 52.501 47.965 15.111 1.00 31.66 O HETATM 2633 O HOH 270 38.629 62.917 -0.538 1.00 25.91 O HETATM 2634 O HOH 271 31.561 61.245 -6.244 1.00 26.68 O HETATM 2635 O HOH 272 31.694 61.314 -2.324 1.00 29.50 O HETATM 2636 O HOH 273 35.518 59.626 -6.789 1.00 28.13 O HETATM 2637 O HOH 274 32.234 64.944 4.619 1.00 27.64 O HETATM 2638 O HOH 275 29.280 56.413 17.391 1.00 28.56 O HETATM 2639 O HOH 276 39.106 53.432 16.751 1.00 27.77 O HETATM 2640 O HOH 277 41.072 55.414 17.804 1.00 27.78 O HETATM 2641 O HOH 278 46.947 65.159 21.668 1.00 27.82 O HETATM 2642 O HOH 279 41.181 49.803 16.097 1.00 28.52 O HETATM 2643 O HOH 280 30.098 46.403 -3.053 1.00 29.35 O HETATM 2644 O HOH 281 46.778 73.988 15.115 1.00 25.37 O HETATM 2645 O HOH 282 60.669 52.755 2.407 1.00 27.40 O HETATM 2646 O HOH 283 62.374 49.386 5.523 1.00 26.79 O HETATM 2647 O HOH 284 51.243 46.541 -0.046 1.00 27.61 O HETATM 2648 O HOH 285 46.383 62.929 -3.939 1.00 26.90 O HETATM 2649 O HOH 286 25.814 46.122 14.228 1.00 29.13 O HETATM 2650 O HOH 287 28.799 45.536 19.783 1.00 26.41 O HETATM 2651 O HOH 288 33.644 24.844 26.774 1.00 27.00 O HETATM 2652 O HOH 289 34.504 23.614 21.466 1.00 24.47 O HETATM 2653 O HOH 290 33.934 27.709 18.291 1.00 28.16 O HETATM 2654 O HOH 291 59.469 39.506 17.153 1.00 26.34 O HETATM 2655 O HOH 292 61.305 33.557 11.447 1.00 27.43 O HETATM 2656 O HOH 293 61.832 43.976 17.144 1.00 28.25 O HETATM 2657 O HOH 294 63.721 51.617 23.806 1.00 28.22 O HETATM 2658 O HOH 295 60.931 38.697 21.809 1.00 27.64 O HETATM 2659 O HOH 296 58.349 35.662 21.628 1.00 29.65 O HETATM 2660 O HOH 297 32.232 46.399 31.789 1.00 27.68 O HETATM 2661 O HOH 298 39.753 46.970 41.165 1.00 25.27 O HETATM 2662 O HOH 299 41.767 54.988 38.390 1.00 26.71 O HETATM 2663 O HOH 300 35.765 49.336 44.726 1.00 28.69 O HETATM 2664 O HOH 301 54.481 52.800 44.468 1.00 26.89 O HETATM 2665 O HOH 302 47.300 33.763 39.269 1.00 24.68 O HETATM 2666 O HOH 303 48.451 36.044 43.888 1.00 27.88 O HETATM 2667 O HOH 304 44.781 27.650 36.536 1.00 25.69 O HETATM 2668 O HOH 305 54.924 27.883 28.234 1.00 27.49 O HETATM 2669 O HOH 306 51.263 19.268 25.533 1.00 29.55 O HETATM 2670 O HOH 307 41.739 23.099 17.943 1.00 24.33 O HETATM 2671 O HOH 308 36.449 51.090 17.929 1.00 24.45 O HETATM 2672 O HOH 309 31.293 64.296 6.585 1.00 23.35 O HETATM 2673 O HOH 310 44.531 54.026 -5.460 1.00 22.83 O HETATM 2674 O HOH 311 37.109 59.579 -8.657 1.00 23.57 O HETATM 2675 O HOH 312 60.533 30.657 20.634 1.00 23.33 O HETATM 2676 O HOH 313 67.193 41.767 27.990 1.00 22.78 O HETATM 2677 O HOH 314 32.920 46.234 37.618 1.00 21.13 O HETATM 2678 O HOH 315 54.712 29.844 30.328 1.00 22.77 O HETATM 2679 C1 L A 7 28.928 50.907 14.301 1.00 0.03 C HETATM 2680 N1 L A 7 29.750 50.145 15.290 1.00 -0.31 N HETATM 2681 C5 L A 7 29.233 48.767 15.527 1.00 0.03 C HETATM 2682 C4 L A 7 27.802 48.847 16.129 1.00 -0.03 C HETATM 2683 C3 L A 7 26.851 49.688 15.227 1.00 -0.05 C HETATM 2684 C2 L A 7 27.481 51.071 14.876 1.00 -0.03 C HETATM 2685 H3 L A 7 26.852 51.571 14.125 1.00 0.03 H HETATM 2686 H4 L A 7 27.525 51.686 15.787 1.00 0.03 H HETATM 2687 H6 L A 7 26.658 49.135 14.296 1.00 0.03 H HETATM 2688 H7 L A 7 25.903 49.851 15.760 1.00 0.03 H HETATM 2689 H8 L A 7 27.397 47.829 16.224 1.00 0.03 H HETATM 2690 H9 L A 7 27.858 49.314 17.123 1.00 0.03 H HETATM 2691 H11 L A 7 29.897 48.242 16.229 1.00 0.05 H HETATM 2692 H12 L A 7 29.200 48.219 14.574 1.00 0.05 H HETATM 2693 C20 L A 7 31.134 50.232 14.982 1.00 0.05 C HETATM 2694 C19 L A 7 32.019 50.981 15.833 1.00 -0.04 C HETATM 2695 C18 L A 7 33.397 51.100 15.489 1.00 -0.05 C HETATM 2696 C17 L A 7 33.920 50.396 14.342 1.00 0.04 C HETATM 2697 C6 L A 7 33.041 49.647 13.503 1.00 -0.05 C HETATM 2698 C21 L A 7 31.666 49.527 13.844 1.00 -0.04 C HETATM 2699 H21 L A 7 31.015 48.902 13.244 1.00 0.05 H HETATM 2700 H13 L A 7 33.421 49.170 12.607 1.00 0.06 H HETATM 2701 C7 L A 7 35.322 50.551 13.962 1.00 0.20 C HETATM 2702 N2 L A 7 35.640 50.007 12.767 1.00 -0.25 N HETATM 2703 C11 L A 7 37.007 50.000 12.252 1.00 0.18 C HETATM 2704 C10 L A 7 38.159 50.715 12.799 1.00 0.02 C HETATM 2705 C9 L A 7 39.475 50.529 12.167 1.00 0.05 C HETATM 2706 C8 L A 7 39.587 49.697 10.945 1.00 0.03 C HETATM 2707 N3 L A 7 38.450 49.074 10.448 1.00 -0.26 N HETATM 2708 C12 L A 7 37.223 49.194 11.040 1.00 0.21 C HETATM 2709 O1 L A 7 36.204 48.649 10.627 1.00 -0.38 O HETATM 2710 H14 L A 7 40.547 49.576 10.445 1.00 0.11 H HETATM 2711 C15 L A 7 40.630 51.229 12.718 1.00 0.05 C HETATM 2712 N6 L A 7 41.853 50.730 12.336 1.00 -0.26 N HETATM 2713 C14 L A 7 42.986 51.287 12.854 1.00 0.18 C HETATM 2714 N4 L A 7 44.269 50.790 12.494 1.00 -0.29 N HETATM 2715 C22 L A 7 44.243 49.808 11.395 1.00 0.02 C HETATM 2716 H22 L A 7 45.268 49.474 11.178 1.00 0.05 H HETATM 2717 H23 L A 7 43.811 50.274 10.497 1.00 0.05 H HETATM 2718 H24 L A 7 43.630 48.943 11.690 1.00 0.05 H HETATM 2719 H10 L A 7 45.138 51.089 12.959 1.00 0.19 H HETATM 2720 N5 L A 7 42.931 52.311 13.759 1.00 -0.26 N HETATM 2721 C13 L A 7 41.733 52.832 14.150 1.00 0.01 C HETATM 2722 C16 L A 7 40.523 52.308 13.656 1.00 -0.02 C HETATM 2723 H18 L A 7 39.562 52.700 13.968 1.00 0.06 H HETATM 2724 H17 L A 7 41.712 53.660 14.850 1.00 0.09 H HETATM 2725 H15 L A 7 38.045 51.373 13.659 1.00 0.12 H HETATM 2726 H16 L A 7 37.243 49.146 12.903 1.00 0.11 H HETATM 2727 H5 L A 7 34.914 49.595 12.216 1.00 0.19 H HETATM 2728 O2 L A 7 36.137 51.129 14.690 1.00 -0.39 O HETATM 2729 H19 L A 7 34.053 51.720 16.089 1.00 0.06 H HETATM 2730 H20 L A 7 31.640 51.453 16.732 1.00 0.05 H HETATM 2731 H1 L A 7 28.889 50.357 13.349 1.00 0.05 H HETATM 2732 H2 L A 7 29.375 51.898 14.133 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1385 1386 1390 1391 1392 CONECT 1390 1385 CONECT 1391 1385 CONECT 1392 1385 CONECT 2679 2680 2684 2731 2732 CONECT 2680 2679 2681 2693 CONECT 2681 2680 2682 2691 2692 CONECT 2682 2681 2683 2689 2690 CONECT 2683 2682 2684 2687 2688 CONECT 2684 2679 2683 2685 2686 CONECT 2685 2684 CONECT 2686 2684 CONECT 2687 2683 CONECT 2688 2683 CONECT 2689 2682 CONECT 2690 2682 CONECT 2691 2681 CONECT 2692 2681 CONECT 2693 2680 2694 2698 CONECT 2694 2693 2695 2730 CONECT 2695 2694 2696 2729 CONECT 2696 2695 2697 2701 CONECT 2697 2696 2698 2700 CONECT 2698 2693 2697 2699 CONECT 2699 2698 CONECT 2700 2697 CONECT 2701 2696 2702 2728 CONECT 2702 2701 2703 2727 CONECT 2703 2702 2704 2708 2726 CONECT 2704 2703 2705 2725 CONECT 2705 2704 2706 2711 CONECT 2706 2705 2707 2710 CONECT 2707 2706 2708 CONECT 2708 2703 2707 2709 CONECT 2709 2708 CONECT 2710 2706 CONECT 2711 2705 2712 2722 CONECT 2712 2711 2713 CONECT 2713 2712 2714 2720 CONECT 2714 2713 2715 2719 CONECT 2715 2714 2716 2717 2718 CONECT 2716 2715 CONECT 2717 2715 CONECT 2718 2715 CONECT 2719 2714 CONECT 2720 2713 2721 CONECT 2721 2720 2722 2724 CONECT 2722 2711 2721 2723 CONECT 2723 2722 CONECT 2724 2721 CONECT 2725 2704 CONECT 2726 2703 CONECT 2727 2702 CONECT 2728 2701 CONECT 2729 2695 CONECT 2730 2694 CONECT 2731 2679 CONECT 2732 2679 MASTER 0 0 0 0 0 0 0 0 2730 2 62 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 3qgy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1sm2
RCSB PDB
PDBbind
264aa, >1SM2_1|Chains... at 98%
3miy
RCSB PDB
PDBbind
266aa, >3MIY_1|Chains... at 96%
3mj1
RCSB PDB
PDBbind
266aa, >3MJ1_1|Chain... at 96%
3mj2
RCSB PDB
PDBbind
266aa, >3MJ2_1|Chain... at 96%
3qgw
RCSB PDB
PDBbind
286aa, >3QGW_1|Chains... *
3t9t
RCSB PDB
PDBbind
267aa, >3T9T_1|Chain... at 97%
3v5j
RCSB PDB
PDBbind
266aa, >3V5J_1|Chains... at 98%
3v5l
RCSB PDB
PDBbind
266aa, >3V5L_1|Chains... at 98%
3v8t
RCSB PDB
PDBbind
266aa, >3V8T_1|Chains... at 98%
3v8w
RCSB PDB
PDBbind
266aa, >3V8W_1|Chains... at 98%
4hct
RCSB PDB
PDBbind
269aa, >4HCT_1|Chain... at 97%
4hcu
RCSB PDB
PDBbind
269aa, >4HCU_1|Chain... at 97%
4hcv
RCSB PDB
PDBbind
269aa, >4HCV_1|Chain... at 97%
4kio
RCSB PDB
PDBbind
266aa, >4KIO_1|Chains... at 97%
4m0y
RCSB PDB
PDBbind
269aa, >4M0Y_1|Chain... at 97%
4m0z
RCSB PDB
PDBbind
269aa, >4M0Z_1|Chain... at 97%
4m12
RCSB PDB
PDBbind
269aa, >4M12_1|Chain... at 97%
4m13
RCSB PDB
PDBbind
269aa, >4M13_1|Chain... at 97%
4m14
RCSB PDB
PDBbind
269aa, >4M14_1|Chain... at 97%
4mf0
RCSB PDB
PDBbind
266aa, >4MF0_1|Chains... at 97%
4mf1
RCSB PDB
PDBbind
266aa, >4MF1_1|Chains... at 96%
4pp9
RCSB PDB
PDBbind
266aa, >4PP9_1|Chains... at 97%
4ppa
RCSB PDB
PDBbind
266aa, >4PPA_1|Chains... at 97%
4ppb
RCSB PDB
PDBbind
266aa, >4PPB_1|Chains... at 97%
4ppc
RCSB PDB
PDBbind
266aa, >4PPC_1|Chains... at 97%
4pqn
RCSB PDB
PDBbind
266aa, >4PQN_1|Chain... at 96%
4qd6
RCSB PDB
PDBbind
266aa, >4QD6_1|Chains... at 97%
4rfm
RCSB PDB
PDBbind
266aa, >4RFM_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3qgy
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Tyrosine-protein kinase ITK/TSK
Ligand Name
L7O
EC.Number
E.C.2.7.10.2
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=16nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Med.Chem. Vol. 54: pp. 2341-2350
Ligand Properties
Formula
C
2
2
H
2
4
N
6
O
2
Molecular Weight
404.465
Exact Mass
404.196
No. of atoms
54
No. of bonds
57
Polar Surface Area
99.58
LOGP Value
2.13 (
Computed with XLOGP3
)
2.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CNc1nccc(n1)C1=C[C@H](C(=O)N=C1)NC(=O)c1ccc(cc1)N1CCCCC1
InChI String
InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14,19H,2-4,11-12H2,1H3,(H,26,29)(H,23,24,27)/t19-/m1/s1
Links to External Databases
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娌叕缃戝畨澶囷細
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