Browse entries in the PDBbind-CN Database
HEADER 3QGW_COMPLEX COMPND 3QGW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 144 ILE ASP PRO SER GLU LEU THR PHE VAL GLN GLU ILE GLY SEQRES 2 B 144 SER GLY GLN PHE GLY LEU VAL HIS LEU GLY TYR TRP LEU SEQRES 3 B 144 ASN LYS ASP LYS VAL ALA ILE LYS THR ILE LYS GLU GLY SEQRES 4 B 144 SER MET SER GLU ASP ASP PHE ILE GLU GLU ALA GLU VAL SEQRES 5 B 144 MET MET LYS LEU SER HIS PRO LYS LEU VAL GLN LEU TYR SEQRES 6 B 144 GLY VAL CYS LEU GLU GLN ALA PRO ILE CYS LEU VAL PHE SEQRES 7 B 144 GLU PHE MET GLU HIS GLY CYS LEU SER ASP TYR LEU ARG SEQRES 8 B 144 THR GLN ARG GLY LEU PHE ALA ALA GLU THR LEU LEU GLY SEQRES 9 B 144 MET CYS LEU ASP VAL CYS GLU GLY MET ALA TYR LEU GLU SEQRES 10 B 144 GLU ALA CYS VAL ILE HIS ARG ASP LEU ALA ALA ARG ASN SEQRES 11 B 144 CYS LEU VAL GLY GLU ASN GLN VAL ILE LYS VAL SER ASP SEQRES 12 B 144 PHE 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 7A 35 ATOM 1 N ILE B 358 48.460 57.702 -3.298 1.00 36.46 N ATOM 2 CA ILE B 358 47.212 56.933 -3.596 1.00 37.85 C ATOM 3 C ILE B 358 46.014 57.512 -2.841 1.00 36.97 C ATOM 4 O ILE B 358 46.154 57.983 -1.722 1.00 40.73 O ATOM 5 CB ILE B 358 47.345 55.453 -3.169 1.00 37.03 C ATOM 6 CG1 ILE B 358 47.430 55.364 -1.641 1.00 36.61 C ATOM 7 CG2 ILE B 358 48.585 54.836 -3.789 1.00 37.25 C ATOM 8 CD1 ILE B 358 47.477 53.972 -1.101 1.00 36.27 C ATOM 9 HN3 ILE B 358 48.657 57.659 -2.278 1.00 0.00 H ATOM 10 HN2 ILE B 358 48.332 58.693 -3.586 1.00 0.00 H ATOM 11 HN1 ILE B 358 49.255 57.287 -3.824 1.00 0.00 H ATOM 12 N ASP B 359 44.841 57.490 -3.462 1.00 36.33 N ATOM 13 CA ASP B 359 43.638 57.963 -2.784 1.00 35.94 C ATOM 14 C ASP B 359 43.476 59.466 -2.509 1.00 34.07 C ATOM 15 O ASP B 359 44.174 60.043 -1.667 1.00 34.36 O ATOM 16 CB ASP B 359 43.498 57.208 -1.456 1.00 34.97 C ATOM 17 CG ASP B 359 42.160 56.523 -1.307 1.00 35.77 C ATOM 18 OD1 ASP B 359 41.122 57.221 -1.381 1.00 34.07 O ATOM 19 OD2 ASP B 359 42.160 55.294 -1.096 1.00 33.40 O ATOM 20 H ASP B 359 44.779 57.134 -4.437 1.00 0.00 H ATOM 21 N PRO B 360 42.579 60.128 -3.259 1.00 35.09 N ATOM 22 CA PRO B 360 42.312 61.563 -3.091 1.00 34.07 C ATOM 23 C PRO B 360 41.000 61.931 -2.396 1.00 32.51 C ATOM 24 O PRO B 360 40.860 61.780 -1.180 1.00 35.12 O ATOM 25 CB PRO B 360 42.387 62.108 -4.531 1.00 34.08 C ATOM 26 CG PRO B 360 41.821 61.037 -5.262 1.00 33.82 C ATOM 27 CD PRO B 360 42.437 59.763 -4.679 1.00 33.50 C ATOM 28 N SER B 361 40.079 62.480 -3.184 1.00 31.47 N ATOM 29 CA SER B 361 38.780 62.945 -2.716 1.00 28.25 C ATOM 30 C SER B 361 37.742 61.902 -3.070 1.00 28.80 C ATOM 31 O SER B 361 36.600 62.216 -3.345 1.00 25.15 O ATOM 32 CB SER B 361 38.417 64.246 -3.428 1.00 29.17 C ATOM 33 OG SER B 361 38.165 64.013 -4.807 1.00 29.27 O ATOM 34 HG SER B 361 37.413 63.376 -4.901 1.00 0.00 H ATOM 35 H SER B 361 40.300 62.583 -4.195 1.00 0.00 H ATOM 36 N GLU B 362 38.177 60.652 -3.070 1.00 26.65 N ATOM 37 CA GLU B 362 37.325 59.519 -3.377 1.00 24.87 C ATOM 38 C GLU B 362 36.803 59.006 -2.047 1.00 24.38 C ATOM 39 O GLU B 362 36.336 57.892 -1.933 1.00 25.20 O ATOM 40 CB GLU B 362 38.185 58.482 -4.073 1.00 24.95 C ATOM 41 CG GLU B 362 39.174 59.145 -5.020 1.00 24.30 C ATOM 42 CD GLU B 362 40.052 58.159 -5.723 1.00 24.71 C ATOM 43 OE1 GLU B 362 40.213 57.046 -5.189 1.00 22.78 O ATOM 44 OE2 GLU B 362 40.595 58.505 -6.790 1.00 25.38 O ATOM 45 H GLU B 362 39.175 60.474 -2.839 1.00 0.00 H ATOM 46 N LEU B 363 36.888 59.870 -1.047 1.00 24.70 N ATOM 47 CA LEU B 363 36.446 59.558 0.291 1.00 25.36 C ATOM 48 C LEU B 363 35.168 60.284 0.666 1.00 25.18 C ATOM 49 O LEU B 363 34.990 61.464 0.392 1.00 24.77 O ATOM 50 CB LEU B 363 37.540 59.922 1.305 1.00 23.78 C ATOM 51 CG LEU B 363 38.568 58.860 1.703 1.00 27.76 C ATOM 52 CD1 LEU B 363 38.618 57.729 0.699 1.00 27.12 C ATOM 53 CD2 LEU B 363 39.923 59.515 1.829 1.00 24.25 C ATOM 54 H LEU B 363 37.289 60.811 -1.233 1.00 0.00 H ATOM 55 N THR B 364 34.269 59.525 1.278 1.00 25.83 N ATOM 56 CA THR B 364 33.002 60.053 1.769 1.00 24.25 C ATOM 57 C THR B 364 33.024 59.790 3.277 1.00 25.41 C ATOM 58 O THR B 364 32.974 58.656 3.721 1.00 25.62 O ATOM 59 CB THR B 364 31.767 59.342 1.119 1.00 25.38 C ATOM 60 OG1 THR B 364 31.870 59.394 -0.309 1.00 25.91 O ATOM 61 CG2 THR B 364 30.481 60.042 1.519 1.00 23.71 C ATOM 62 HG1 THR B 364 32.699 58.936 -0.596 1.00 0.00 H ATOM 63 H THR B 364 34.476 58.515 1.413 1.00 0.00 H ATOM 64 N PHE B 365 33.163 60.856 4.052 1.00 26.57 N ATOM 65 CA PHE B 365 33.171 60.735 5.501 1.00 25.43 C ATOM 66 C PHE B 365 31.726 60.699 5.925 1.00 26.66 C ATOM 67 O PHE B 365 30.985 61.666 5.744 1.00 28.13 O ATOM 68 CB PHE B 365 33.883 61.926 6.143 1.00 25.24 C ATOM 69 CG PHE B 365 35.368 61.912 5.947 1.00 25.36 C ATOM 70 CD1 PHE B 365 35.916 62.062 4.676 1.00 24.86 C ATOM 71 CD2 PHE B 365 36.219 61.702 7.025 1.00 26.32 C ATOM 72 CE1 PHE B 365 37.296 61.998 4.496 1.00 24.99 C ATOM 73 CE2 PHE B 365 37.588 61.639 6.849 1.00 24.47 C ATOM 74 CZ PHE B 365 38.129 61.786 5.588 1.00 26.17 C ATOM 75 H PHE B 365 33.268 61.795 3.617 1.00 0.00 H ATOM 76 N VAL B 366 31.320 59.575 6.490 1.00 24.54 N ATOM 77 CA VAL B 366 29.936 59.418 6.900 1.00 23.60 C ATOM 78 C VAL B 366 29.643 59.629 8.378 1.00 28.06 C ATOM 79 O VAL B 366 28.756 60.410 8.751 1.00 24.09 O ATOM 80 CB VAL B 366 29.415 58.025 6.494 1.00 24.97 C ATOM 81 CG1 VAL B 366 28.035 57.803 7.102 1.00 25.26 C ATOM 82 CG2 VAL B 366 29.386 57.896 4.959 1.00 22.71 C ATOM 83 H VAL B 366 31.996 58.799 6.642 1.00 0.00 H ATOM 84 N GLN B 367 30.369 58.924 9.230 1.00 25.01 N ATOM 85 CA GLN B 367 30.119 59.047 10.653 1.00 25.95 C ATOM 86 C GLN B 367 31.374 58.919 11.476 1.00 24.28 C ATOM 87 O GLN B 367 32.234 58.116 11.176 1.00 24.65 O ATOM 88 CB GLN B 367 29.144 57.958 11.101 1.00 25.41 C ATOM 89 CG GLN B 367 29.104 57.824 12.592 1.00 25.65 C ATOM 90 CD GLN B 367 28.164 56.759 13.065 1.00 25.25 C ATOM 91 OE1 GLN B 367 27.799 56.727 14.217 1.00 24.06 O ATOM 92 NE2 GLN B 367 27.771 55.861 12.162 1.00 28.67 N ATOM 93 HE22 GLN B 367 28.110 55.927 11.181 1.00 0.00 H ATOM 94 HE21 GLN B 367 27.125 55.094 12.438 1.00 0.00 H ATOM 95 H GLN B 367 31.113 58.286 8.882 1.00 0.00 H ATOM 96 N GLU B 368 31.467 59.710 12.541 1.00 25.93 N ATOM 97 CA GLU B 368 32.622 59.610 13.436 1.00 24.76 C ATOM 98 C GLU B 368 32.432 58.372 14.315 1.00 24.43 C ATOM 99 O GLU B 368 31.324 58.069 14.737 1.00 25.41 O ATOM 100 CB GLU B 368 32.774 60.865 14.304 1.00 25.39 C ATOM 101 CG GLU B 368 34.009 60.773 15.254 1.00 26.56 C ATOM 102 CD GLU B 368 34.174 62.009 16.115 1.00 26.07 C ATOM 103 OE1 GLU B 368 34.587 61.892 17.289 1.00 24.45 O ATOM 104 OE2 GLU B 368 33.900 63.110 15.597 1.00 31.51 O ATOM 105 H GLU B 368 30.717 60.402 12.739 1.00 0.00 H ATOM 106 N ILE B 369 33.520 57.660 14.587 1.00 26.28 N ATOM 107 CA ILE B 369 33.449 56.441 15.382 1.00 26.29 C ATOM 108 C ILE B 369 34.669 56.220 16.279 1.00 26.79 C ATOM 109 O ILE B 369 34.854 55.128 16.828 1.00 26.97 O ATOM 110 CB ILE B 369 33.264 55.204 14.455 1.00 26.69 C ATOM 111 CG1 ILE B 369 34.365 55.161 13.399 1.00 26.75 C ATOM 112 CG2 ILE B 369 31.930 55.277 13.711 1.00 26.96 C ATOM 113 CD1 ILE B 369 34.296 53.949 12.485 1.00 24.37 C ATOM 114 H ILE B 369 34.441 57.979 14.225 1.00 0.00 H ATOM 115 N GLY B 370 35.481 57.262 16.435 1.00 27.58 N ATOM 116 CA GLY B 370 36.673 57.161 17.251 1.00 30.37 C ATOM 117 C GLY B 370 37.373 58.499 17.377 1.00 30.98 C ATOM 118 O GLY B 370 37.079 59.425 16.623 1.00 32.23 O ATOM 119 H GLY B 370 35.257 58.162 15.964 1.00 0.00 H ATOM 120 N SER B 371 38.303 58.583 18.332 1.00 33.35 N ATOM 121 CA SER B 371 39.091 59.789 18.615 1.00 36.08 C ATOM 122 C SER B 371 40.081 59.514 19.740 1.00 35.49 C ATOM 123 O SER B 371 39.853 58.635 20.556 1.00 37.97 O ATOM 124 CB SER B 371 38.177 60.919 19.074 1.00 34.35 C ATOM 125 OG SER B 371 38.903 62.131 19.122 1.00 35.27 O ATOM 126 HG SER B 371 38.305 62.861 19.421 1.00 0.00 H ATOM 127 H SER B 371 38.481 57.739 18.913 1.00 0.00 H ATOM 128 N GLY B 372 41.174 60.265 19.799 1.00 37.40 N ATOM 129 CA GLY B 372 42.109 60.021 20.879 1.00 38.02 C ATOM 130 C GLY B 372 43.457 60.708 20.842 1.00 37.64 C ATOM 131 O GLY B 372 44.473 60.050 21.017 1.00 39.94 O ATOM 132 H GLY B 372 41.354 61.006 19.092 1.00 0.00 H ATOM 133 N GLN B 373 43.460 62.022 20.637 1.00 38.66 N ATOM 134 CA GLN B 373 44.687 62.831 20.574 1.00 38.94 C ATOM 135 C GLN B 373 45.598 62.521 19.379 1.00 38.68 C ATOM 136 O GLN B 373 46.143 63.442 18.749 1.00 38.72 O ATOM 137 CB GLN B 373 45.484 62.714 21.885 1.00 39.38 C ATOM 138 CG GLN B 373 45.699 64.087 22.628 1.00 39.77 C ATOM 139 CD GLN B 373 46.469 65.125 21.802 1.00 39.92 C ATOM 140 OE1 GLN B 373 46.555 66.304 22.176 1.00 39.70 O ATOM 141 NE2 GLN B 373 47.044 64.684 20.685 1.00 40.10 N ATOM 142 HE22 GLN B 373 46.946 63.686 20.409 1.00 0.00 H ATOM 143 HE21 GLN B 373 47.591 65.337 20.089 1.00 0.00 H ATOM 144 H GLN B 373 42.546 62.503 20.515 1.00 0.00 H ATOM 145 N PHE B 374 45.758 61.236 19.062 1.00 38.37 N ATOM 146 CA PHE B 374 46.591 60.837 17.927 1.00 37.77 C ATOM 147 C PHE B 374 45.808 60.705 16.609 1.00 35.04 C ATOM 148 O PHE B 374 46.401 60.629 15.527 1.00 34.01 O ATOM 149 CB PHE B 374 47.319 59.532 18.254 1.00 38.97 C ATOM 150 CG PHE B 374 48.413 59.690 19.272 1.00 39.82 C ATOM 151 CD1 PHE B 374 48.700 60.939 19.827 1.00 40.86 C ATOM 152 CD2 PHE B 374 49.157 58.589 19.687 1.00 40.90 C ATOM 153 CE1 PHE B 374 49.709 61.084 20.780 1.00 40.56 C ATOM 154 CE2 PHE B 374 50.165 58.729 20.638 1.00 41.03 C ATOM 155 CZ PHE B 374 50.439 59.979 21.183 1.00 41.64 C ATOM 156 H PHE B 374 45.283 60.506 19.630 1.00 0.00 H ATOM 157 N GLY B 375 44.479 60.686 16.699 1.00 34.71 N ATOM 158 CA GLY B 375 43.681 60.581 15.494 1.00 32.64 C ATOM 159 C GLY B 375 42.205 60.284 15.694 1.00 30.89 C ATOM 160 O GLY B 375 41.778 59.793 16.745 1.00 32.66 O ATOM 161 H GLY B 375 44.017 60.746 17.629 1.00 0.00 H ATOM 162 N LEU B 376 41.428 60.597 14.656 1.00 29.26 N ATOM 163 CA LEU B 376 39.983 60.368 14.620 1.00 28.53 C ATOM 164 C LEU B 376 39.736 59.207 13.690 1.00 27.34 C ATOM 165 O LEU B 376 40.490 58.978 12.800 1.00 29.26 O ATOM 166 CB LEU B 376 39.234 61.570 14.033 1.00 27.39 C ATOM 167 CG LEU B 376 38.873 62.769 14.903 1.00 27.35 C ATOM 168 CD1 LEU B 376 38.171 63.803 14.041 1.00 27.18 C ATOM 169 CD2 LEU B 376 37.976 62.324 16.051 1.00 27.19 C ATOM 170 H LEU B 376 41.876 61.029 13.823 1.00 0.00 H ATOM 171 N VAL B 377 38.655 58.479 13.922 1.00 29.45 N ATOM 172 CA VAL B 377 38.290 57.371 13.052 1.00 28.27 C ATOM 173 C VAL B 377 36.883 57.680 12.551 1.00 27.53 C ATOM 174 O VAL B 377 36.031 58.090 13.300 1.00 22.31 O ATOM 175 CB VAL B 377 38.319 55.984 13.771 1.00 30.12 C ATOM 176 CG1 VAL B 377 37.930 54.890 12.779 1.00 27.31 C ATOM 177 CG2 VAL B 377 39.718 55.676 14.287 1.00 29.34 C ATOM 178 H VAL B 377 38.055 58.703 14.742 1.00 0.00 H ATOM 179 N HIS B 378 36.679 57.498 11.253 1.00 29.38 N ATOM 180 CA HIS B 378 35.396 57.774 10.624 1.00 31.35 C ATOM 181 C HIS B 378 34.938 56.605 9.763 1.00 31.08 C ATOM 182 O HIS B 378 35.745 55.879 9.178 1.00 26.39 O ATOM 183 CB HIS B 378 35.491 59.025 9.724 1.00 31.24 C ATOM 184 CG HIS B 378 35.479 60.324 10.478 1.00 32.85 C ATOM 185 ND1 HIS B 378 34.330 61.058 10.670 1.00 32.43 N ATOM 186 CD2 HIS B 378 36.472 61.007 11.101 1.00 32.61 C ATOM 187 CE1 HIS B 378 34.619 62.136 11.376 1.00 31.84 C ATOM 188 NE2 HIS B 378 35.910 62.130 11.651 1.00 32.67 N ATOM 189 H HIS B 378 37.462 57.146 10.665 1.00 0.00 H ATOM 190 N LEU B 379 33.628 56.422 9.703 1.00 31.81 N ATOM 191 CA LEU B 379 33.062 55.387 8.866 1.00 34.63 C ATOM 192 C LEU B 379 32.767 56.118 7.565 1.00 34.20 C ATOM 193 O LEU B 379 32.269 57.247 7.568 1.00 40.94 O ATOM 194 CB LEU B 379 31.773 54.816 9.476 1.00 33.56 C ATOM 195 CG LEU B 379 31.130 53.606 8.790 1.00 34.29 C ATOM 196 CD1 LEU B 379 30.094 53.004 9.725 1.00 33.56 C ATOM 197 CD2 LEU B 379 30.509 54.008 7.457 1.00 33.08 C ATOM 198 H LEU B 379 32.998 57.030 10.265 1.00 0.00 H ATOM 199 N GLY B 380 33.129 55.483 6.458 1.00 32.62 N ATOM 200 CA GLY B 380 32.906 56.091 5.168 1.00 33.07 C ATOM 201 C GLY B 380 33.028 55.100 4.038 1.00 32.03 C ATOM 202 O GLY B 380 33.010 53.899 4.243 1.00 33.08 O ATOM 203 H GLY B 380 33.574 54.545 6.520 1.00 0.00 H ATOM 204 N TYR B 381 33.139 55.626 2.827 1.00 30.31 N ATOM 205 CA TYR B 381 33.267 54.813 1.632 1.00 31.28 C ATOM 206 C TYR B 381 34.382 55.333 0.739 1.00 31.98 C ATOM 207 O TYR B 381 34.710 56.525 0.743 1.00 30.23 O ATOM 208 CB TYR B 381 31.953 54.821 0.820 1.00 29.73 C ATOM 209 CG TYR B 381 30.763 54.192 1.508 1.00 28.84 C ATOM 210 CD1 TYR B 381 30.031 54.900 2.461 1.00 28.90 C ATOM 211 CD2 TYR B 381 30.418 52.863 1.265 1.00 28.55 C ATOM 212 CE1 TYR B 381 28.999 54.298 3.159 1.00 27.17 C ATOM 213 CE2 TYR B 381 29.392 52.257 1.951 1.00 28.33 C ATOM 214 CZ TYR B 381 28.680 52.975 2.903 1.00 27.62 C ATOM 215 OH TYR B 381 27.651 52.380 3.595 1.00 20.57 O ATOM 216 HH TYR B 381 27.999 51.601 4.097 1.00 0.00 H ATOM 217 H TYR B 381 33.134 56.661 2.729 1.00 0.00 H ATOM 218 N TRP B 382 34.961 54.410 -0.021 1.00 33.37 N ATOM 219 CA TRP B 382 36.000 54.736 -0.980 1.00 35.70 C ATOM 220 C TRP B 382 35.294 54.673 -2.338 1.00 36.19 C ATOM 221 O TRP B 382 34.761 53.639 -2.719 1.00 44.24 O ATOM 222 CB TRP B 382 37.138 53.726 -0.911 1.00 35.18 C ATOM 223 CG TRP B 382 38.204 53.978 -1.932 1.00 35.26 C ATOM 224 CD1 TRP B 382 38.668 55.191 -2.358 1.00 35.31 C ATOM 225 CD2 TRP B 382 38.964 52.990 -2.626 1.00 36.76 C ATOM 226 NE1 TRP B 382 39.669 55.019 -3.273 1.00 36.19 N ATOM 227 CE2 TRP B 382 39.875 53.675 -3.459 1.00 36.70 C ATOM 228 CE3 TRP B 382 38.964 51.590 -2.627 1.00 36.72 C ATOM 229 CZ2 TRP B 382 40.784 53.003 -4.292 1.00 36.28 C ATOM 230 CZ3 TRP B 382 39.867 50.917 -3.460 1.00 37.29 C ATOM 231 CH2 TRP B 382 40.763 51.628 -4.280 1.00 36.48 C ATOM 232 HE1 TRP B 382 40.190 55.782 -3.750 1.00 0.00 H ATOM 233 H TRP B 382 34.659 53.419 0.075 1.00 0.00 H ATOM 234 N LEU B 383 35.306 55.799 -3.047 1.00 34.81 N ATOM 235 CA LEU B 383 34.653 55.935 -4.339 1.00 33.57 C ATOM 236 C LEU B 383 33.220 55.399 -4.290 1.00 34.56 C ATOM 237 O LEU B 383 32.736 54.772 -5.230 1.00 33.34 O ATOM 238 CB LEU B 383 35.488 55.267 -5.452 1.00 34.99 C ATOM 239 CG LEU B 383 35.980 53.816 -5.386 1.00 35.51 C ATOM 240 CD1 LEU B 383 34.854 52.873 -5.783 1.00 37.61 C ATOM 241 CD2 LEU B 383 37.170 53.625 -6.322 1.00 35.24 C ATOM 242 H LEU B 383 35.807 56.623 -2.658 1.00 0.00 H ATOM 243 N ASN B 384 32.554 55.665 -3.165 1.00 31.73 N ATOM 244 CA ASN B 384 31.172 55.253 -2.928 1.00 31.27 C ATOM 245 C ASN B 384 30.904 53.772 -3.141 1.00 30.75 C ATOM 246 O ASN B 384 29.789 53.374 -3.419 1.00 27.62 O ATOM 247 CB ASN B 384 30.217 56.079 -3.801 1.00 29.36 C ATOM 248 CG ASN B 384 30.193 57.542 -3.412 1.00 29.49 C ATOM 249 OD1 ASN B 384 30.268 57.883 -2.226 1.00 22.77 O ATOM 250 ND2 ASN B 384 30.070 58.421 -4.407 1.00 29.70 N ATOM 251 HD22 ASN B 384 30.010 58.088 -5.390 1.00 0.00 H ATOM 252 HD21 ASN B 384 30.034 59.439 -4.200 1.00 0.00 H ATOM 253 H ASN B 384 33.045 56.194 -2.416 1.00 0.00 H ATOM 254 N LYS B 385 31.927 52.948 -2.987 1.00 30.61 N ATOM 255 CA LYS B 385 31.717 51.525 -3.175 1.00 31.56 C ATOM 256 C LYS B 385 31.936 50.723 -1.897 1.00 31.07 C ATOM 257 O LYS B 385 30.977 50.218 -1.295 1.00 32.75 O ATOM 258 CB LYS B 385 32.629 50.969 -4.263 1.00 30.86 C ATOM 259 CG LYS B 385 32.360 49.519 -4.485 1.00 31.25 C ATOM 260 CD LYS B 385 33.215 48.903 -5.512 1.00 30.53 C ATOM 261 CE LYS B 385 32.830 47.464 -5.617 1.00 30.07 C ATOM 262 NZ LYS B 385 33.019 46.779 -4.308 1.00 30.68 N ATOM 263 HZ1 LYS B 385 34.018 46.843 -4.026 1.00 0.00 H ATOM 264 HZ2 LYS B 385 32.424 47.238 -3.589 1.00 0.00 H ATOM 265 HZ3 LYS B 385 32.747 45.779 -4.399 1.00 0.00 H ATOM 266 H LYS B 385 32.867 53.314 -2.735 1.00 0.00 H ATOM 267 N ASP B 386 33.199 50.592 -1.497 1.00 28.90 N ATOM 268 CA ASP B 386 33.552 49.843 -0.298 1.00 27.63 C ATOM 269 C ASP B 386 33.408 50.680 0.951 1.00 26.99 C ATOM 270 O ASP B 386 33.804 51.842 0.969 1.00 27.46 O ATOM 271 CB ASP B 386 34.993 49.369 -0.338 1.00 27.98 C ATOM 272 CG ASP B 386 35.331 48.656 -1.601 1.00 28.04 C ATOM 273 OD1 ASP B 386 34.642 47.660 -1.930 1.00 24.15 O ATOM 274 OD2 ASP B 386 36.295 49.101 -2.257 1.00 27.01 O ATOM 275 H ASP B 386 33.955 51.037 -2.056 1.00 0.00 H ATOM 276 N LYS B 387 32.824 50.072 1.982 1.00 26.40 N ATOM 277 CA LYS B 387 32.643 50.705 3.278 1.00 24.80 C ATOM 278 C LYS B 387 34.069 50.784 3.826 1.00 25.26 C ATOM 279 O LYS B 387 34.864 49.854 3.661 1.00 24.03 O ATOM 280 CB LYS B 387 31.755 49.813 4.151 1.00 25.02 C ATOM 281 CG LYS B 387 30.781 50.558 5.095 1.00 24.87 C ATOM 282 CD LYS B 387 29.950 49.530 5.893 1.00 23.75 C ATOM 283 CE LYS B 387 28.947 50.172 6.859 1.00 26.48 C ATOM 284 NZ LYS B 387 28.158 49.118 7.612 1.00 26.82 N ATOM 285 HZ1 LYS B 387 27.635 48.528 6.934 1.00 0.00 H ATOM 286 HZ2 LYS B 387 28.812 48.523 8.159 1.00 0.00 H ATOM 287 HZ3 LYS B 387 27.488 49.583 8.257 1.00 0.00 H ATOM 288 H LYS B 387 32.481 49.098 1.854 1.00 0.00 H ATOM 289 N VAL B 388 34.394 51.887 4.482 1.00 23.47 N ATOM 290 CA VAL B 388 35.754 52.050 4.966 1.00 25.89 C ATOM 291 C VAL B 388 35.913 52.696 6.345 1.00 24.60 C ATOM 292 O VAL B 388 34.991 53.308 6.885 1.00 24.76 O ATOM 293 CB VAL B 388 36.588 52.824 3.873 1.00 24.60 C ATOM 294 CG1 VAL B 388 37.572 53.782 4.492 1.00 27.19 C ATOM 295 CG2 VAL B 388 37.336 51.829 2.985 1.00 26.31 C ATOM 296 H VAL B 388 33.684 52.628 4.649 1.00 0.00 H ATOM 297 N ALA B 389 37.089 52.493 6.927 1.00 23.60 N ATOM 298 CA ALA B 389 37.422 53.058 8.222 1.00 25.37 C ATOM 299 C ALA B 389 38.588 54.010 7.982 1.00 25.16 C ATOM 300 O ALA B 389 39.720 53.580 7.773 1.00 24.21 O ATOM 301 CB ALA B 389 37.825 51.974 9.179 1.00 24.71 C ATOM 302 H ALA B 389 37.797 51.909 6.438 1.00 0.00 H ATOM 303 N ILE B 390 38.290 55.307 8.014 1.00 23.87 N ATOM 304 CA ILE B 390 39.281 56.347 7.771 1.00 24.65 C ATOM 305 C ILE B 390 39.828 56.977 9.050 1.00 25.94 C ATOM 306 O ILE B 390 39.106 57.654 9.768 1.00 26.58 O ATOM 307 CB ILE B 390 38.668 57.482 6.903 1.00 24.62 C ATOM 308 CG1 ILE B 390 38.117 56.900 5.600 1.00 25.29 C ATOM 309 CG2 ILE B 390 39.725 58.541 6.601 1.00 24.84 C ATOM 310 CD1 ILE B 390 36.908 57.621 5.031 1.00 24.53 C ATOM 311 H ILE B 390 37.311 55.589 8.221 1.00 0.00 H ATOM 312 N LYS B 391 41.107 56.729 9.318 1.00 25.04 N ATOM 313 CA LYS B 391 41.790 57.321 10.459 1.00 25.36 C ATOM 314 C LYS B 391 42.491 58.565 9.948 1.00 26.06 C ATOM 315 O LYS B 391 43.322 58.491 9.052 1.00 24.68 O ATOM 316 CB LYS B 391 42.852 56.382 11.040 1.00 26.15 C ATOM 317 CG LYS B 391 43.868 57.161 11.811 1.00 25.05 C ATOM 318 CD LYS B 391 44.953 56.366 12.429 1.00 24.60 C ATOM 319 CE LYS B 391 44.428 55.391 13.389 1.00 25.97 C ATOM 320 NZ LYS B 391 45.555 54.612 13.994 1.00 27.13 N ATOM 321 HZ1 LYS B 391 46.071 54.111 13.243 1.00 0.00 H ATOM 322 HZ2 LYS B 391 46.201 55.263 14.484 1.00 0.00 H ATOM 323 HZ3 LYS B 391 45.173 53.923 14.673 1.00 0.00 H ATOM 324 H LYS B 391 41.637 56.090 8.691 1.00 0.00 H ATOM 325 N THR B 392 42.152 59.713 10.512 1.00 26.77 N ATOM 326 CA THR B 392 42.800 60.944 10.093 1.00 25.80 C ATOM 327 C THR B 392 43.677 61.425 11.246 1.00 27.11 C ATOM 328 O THR B 392 43.310 61.274 12.393 1.00 24.26 O ATOM 329 CB THR B 392 41.756 62.033 9.669 1.00 25.59 C ATOM 330 OG1 THR B 392 40.971 62.432 10.798 1.00 22.31 O ATOM 331 CG2 THR B 392 40.822 61.497 8.584 1.00 24.17 C ATOM 332 HG1 THR B 392 40.491 61.645 11.159 1.00 0.00 H ATOM 333 H THR B 392 41.423 59.734 11.254 1.00 0.00 H ATOM 334 N ILE B 393 44.860 61.951 10.938 1.00 29.16 N ATOM 335 CA ILE B 393 45.757 62.432 11.980 1.00 30.24 C ATOM 336 C ILE B 393 45.080 63.567 12.746 1.00 31.53 C ATOM 337 O ILE B 393 44.259 64.289 12.199 1.00 38.00 O ATOM 338 CB ILE B 393 47.090 62.932 11.368 1.00 30.01 C ATOM 339 CG1 ILE B 393 48.100 63.212 12.473 1.00 31.00 C ATOM 340 CG2 ILE B 393 46.867 64.206 10.576 1.00 29.58 C ATOM 341 CD1 ILE B 393 49.473 63.504 11.962 1.00 29.57 C ATOM 342 H ILE B 393 45.148 62.019 9.941 1.00 0.00 H ATOM 343 N LYS B 394 45.399 63.720 14.023 1.00 35.10 N ATOM 344 CA LYS B 394 44.768 64.793 14.766 1.00 36.47 C ATOM 345 C LYS B 394 45.616 66.060 14.861 1.00 37.91 C ATOM 346 O LYS B 394 46.781 66.017 15.266 1.00 40.04 O ATOM 347 CB LYS B 394 44.290 64.300 16.146 1.00 36.42 C ATOM 348 CG LYS B 394 43.709 65.425 17.066 1.00 36.68 C ATOM 349 CD LYS B 394 43.204 64.890 18.415 1.00 37.42 C ATOM 350 CE LYS B 394 42.046 63.832 18.187 1.00 36.25 C ATOM 351 NZ LYS B 394 41.474 63.246 19.426 1.00 34.58 N ATOM 352 HZ1 LYS B 394 42.224 62.757 19.955 1.00 0.00 H ATOM 353 HZ2 LYS B 394 41.072 64.004 20.013 1.00 0.00 H ATOM 354 HZ3 LYS B 394 40.727 62.568 19.174 1.00 0.00 H ATOM 355 H LYS B 394 46.085 63.086 14.481 1.00 0.00 H ATOM 356 N GLU B 395 44.995 67.165 14.425 1.00 39.74 N ATOM 357 CA GLU B 395 45.545 68.529 14.368 1.00 39.67 C ATOM 358 C GLU B 395 46.939 68.655 13.779 1.00 41.08 C ATOM 359 O GLU B 395 47.449 69.768 13.634 1.00 40.09 O ATOM 360 CB GLU B 395 45.545 69.215 15.741 1.00 40.36 C ATOM 361 CG GLU B 395 44.189 69.754 16.203 1.00 39.68 C ATOM 362 CD GLU B 395 44.255 70.437 17.555 1.00 38.95 C ATOM 363 OE1 GLU B 395 44.778 69.829 18.516 1.00 39.74 O ATOM 364 OE2 GLU B 395 43.775 71.588 17.658 1.00 37.59 O ATOM 365 H GLU B 395 44.018 67.045 14.090 1.00 0.00 H ATOM 366 N GLY B 396 47.545 67.515 13.446 1.00 41.08 N ATOM 367 CA GLY B 396 48.881 67.506 12.873 1.00 42.73 C ATOM 368 C GLY B 396 49.915 67.769 13.954 1.00 43.58 C ATOM 369 O GLY B 396 51.100 68.100 13.696 1.00 49.99 O ATOM 370 H GLY B 396 47.051 66.613 13.600 1.00 0.00 H ATOM 371 N SER B 397 49.447 67.638 15.189 1.00 43.15 N ATOM 372 CA SER B 397 50.251 67.847 16.380 1.00 42.22 C ATOM 373 C SER B 397 50.776 66.502 16.887 1.00 43.23 C ATOM 374 O SER B 397 50.620 66.173 18.058 1.00 39.08 O ATOM 375 CB SER B 397 49.372 68.514 17.425 1.00 42.46 C ATOM 376 OG SER B 397 48.024 68.518 16.978 1.00 40.65 O ATOM 377 HG SER B 397 47.721 67.586 16.838 1.00 0.00 H ATOM 378 H SER B 397 48.449 67.371 15.310 1.00 0.00 H ATOM 379 N MET B 398 51.395 65.734 15.985 1.00 43.87 N ATOM 380 CA MET B 398 51.978 64.430 16.302 1.00 45.17 C ATOM 381 C MET B 398 52.788 63.877 15.129 1.00 44.97 C ATOM 382 O MET B 398 52.784 62.677 14.871 1.00 50.26 O ATOM 383 CB MET B 398 50.891 63.432 16.694 1.00 46.06 C ATOM 384 CG MET B 398 51.017 62.949 18.141 1.00 46.24 C ATOM 385 SD MET B 398 52.596 62.128 18.423 1.00 47.32 S ATOM 386 CE MET B 398 53.679 63.523 18.823 1.00 47.35 C ATOM 387 H MET B 398 51.466 66.081 15.007 1.00 0.00 H ATOM 388 N SER B 399 53.473 64.779 14.427 1.00 44.32 N ATOM 389 CA SER B 399 54.335 64.463 13.275 1.00 43.29 C ATOM 390 C SER B 399 53.698 63.591 12.184 1.00 42.73 C ATOM 391 O SER B 399 53.292 62.461 12.433 1.00 36.08 O ATOM 392 CB SER B 399 55.633 63.806 13.766 1.00 43.89 C ATOM 393 OG SER B 399 55.372 62.530 14.319 1.00 45.38 O ATOM 394 HG SER B 399 56.221 62.126 14.628 1.00 0.00 H ATOM 395 H SER B 399 53.393 65.776 14.712 1.00 0.00 H ATOM 396 N GLU B 400 53.634 64.110 10.965 1.00 42.91 N ATOM 397 CA GLU B 400 53.050 63.349 9.882 1.00 43.73 C ATOM 398 C GLU B 400 53.956 62.212 9.412 1.00 44.22 C ATOM 399 O GLU B 400 53.471 61.201 8.962 1.00 45.19 O ATOM 400 CB GLU B 400 52.723 64.259 8.705 1.00 44.20 C ATOM 401 CG GLU B 400 51.697 65.304 8.989 1.00 44.97 C ATOM 402 CD GLU B 400 51.397 66.185 7.766 1.00 45.32 C ATOM 403 OE1 GLU B 400 52.343 66.416 6.959 1.00 43.77 O ATOM 404 OE2 GLU B 400 50.243 66.645 7.617 1.00 48.68 O ATOM 405 H GLU B 400 54.004 65.066 10.787 1.00 0.00 H ATOM 406 N ASP B 401 55.272 62.378 9.517 1.00 44.54 N ATOM 407 CA ASP B 401 56.184 61.309 9.080 1.00 45.22 C ATOM 408 C ASP B 401 56.117 60.080 9.977 1.00 45.00 C ATOM 409 O ASP B 401 56.587 59.002 9.613 1.00 47.74 O ATOM 410 CB ASP B 401 57.627 61.815 9.003 1.00 44.52 C ATOM 411 CG ASP B 401 57.875 62.669 7.771 1.00 44.56 C ATOM 412 OD1 ASP B 401 57.685 62.154 6.640 1.00 42.88 O ATOM 413 OD2 ASP B 401 58.254 63.853 7.930 1.00 43.97 O ATOM 414 H ASP B 401 55.656 63.262 9.907 1.00 0.00 H ATOM 415 N ASP B 402 55.511 60.247 11.145 1.00 45.12 N ATOM 416 CA ASP B 402 55.373 59.147 12.076 1.00 45.05 C ATOM 417 C ASP B 402 53.947 58.598 12.035 1.00 44.47 C ATOM 418 O ASP B 402 53.649 57.573 12.618 1.00 43.16 O ATOM 419 CB ASP B 402 55.771 59.617 13.474 1.00 45.71 C ATOM 420 CG ASP B 402 57.220 60.104 13.524 1.00 46.51 C ATOM 421 OD1 ASP B 402 58.107 59.360 13.044 1.00 46.04 O ATOM 422 OD2 ASP B 402 57.473 61.221 14.029 1.00 45.99 O ATOM 423 H ASP B 402 55.130 61.182 11.396 1.00 0.00 H ATOM 424 N PHE B 403 53.079 59.306 11.319 1.00 45.18 N ATOM 425 CA PHE B 403 51.696 58.882 11.133 1.00 45.12 C ATOM 426 C PHE B 403 51.791 57.999 9.885 1.00 44.44 C ATOM 427 O PHE B 403 51.179 56.935 9.794 1.00 44.81 O ATOM 428 CB PHE B 403 50.798 60.093 10.857 1.00 44.65 C ATOM 429 CG PHE B 403 49.335 59.751 10.662 1.00 45.21 C ATOM 430 CD1 PHE B 403 48.525 59.406 11.741 1.00 44.36 C ATOM 431 CD2 PHE B 403 48.769 59.766 9.393 1.00 44.46 C ATOM 432 CE1 PHE B 403 47.173 59.081 11.556 1.00 44.65 C ATOM 433 CE2 PHE B 403 47.424 59.441 9.199 1.00 44.22 C ATOM 434 CZ PHE B 403 46.624 59.098 10.286 1.00 43.73 C ATOM 435 H PHE B 403 53.397 60.192 10.877 1.00 0.00 H ATOM 436 N ILE B 404 52.598 58.467 8.938 1.00 44.02 N ATOM 437 CA ILE B 404 52.853 57.799 7.663 1.00 44.00 C ATOM 438 C ILE B 404 53.654 56.506 7.860 1.00 43.61 C ATOM 439 O ILE B 404 53.323 55.460 7.316 1.00 45.29 O ATOM 440 CB ILE B 404 53.685 58.717 6.720 1.00 44.78 C ATOM 441 CG1 ILE B 404 52.958 60.048 6.471 1.00 44.37 C ATOM 442 CG2 ILE B 404 53.951 57.995 5.408 1.00 44.22 C ATOM 443 CD1 ILE B 404 53.813 61.087 5.761 1.00 44.08 C ATOM 444 H ILE B 404 53.081 59.370 9.116 1.00 0.00 H ATOM 445 N GLU B 405 54.722 56.622 8.639 1.00 44.26 N ATOM 446 CA GLU B 405 55.632 55.522 8.947 1.00 43.47 C ATOM 447 C GLU B 405 54.896 54.353 9.615 1.00 43.29 C ATOM 448 O GLU B 405 55.489 53.332 9.943 1.00 41.63 O ATOM 449 CB GLU B 405 56.741 56.060 9.863 1.00 45.02 C ATOM 450 CG GLU B 405 58.097 55.366 9.744 1.00 45.73 C ATOM 451 CD GLU B 405 59.126 55.975 10.682 1.00 46.67 C ATOM 452 OE1 GLU B 405 60.228 55.396 10.830 1.00 47.69 O ATOM 453 OE2 GLU B 405 58.826 57.044 11.267 1.00 46.80 O ATOM 454 H GLU B 405 54.923 57.553 9.056 1.00 0.00 H ATOM 455 N GLU B 406 53.589 54.522 9.788 1.00 42.12 N ATOM 456 CA GLU B 406 52.714 53.525 10.411 1.00 41.05 C ATOM 457 C GLU B 406 52.010 52.688 9.326 1.00 41.12 C ATOM 458 O GLU B 406 51.846 51.487 9.474 1.00 42.04 O ATOM 459 CB GLU B 406 51.684 54.248 11.291 1.00 43.26 C ATOM 460 CG GLU B 406 51.054 53.392 12.389 1.00 44.39 C ATOM 461 CD GLU B 406 50.315 52.188 11.828 1.00 44.80 C ATOM 462 OE1 GLU B 406 49.450 52.392 10.941 1.00 44.84 O ATOM 463 OE2 GLU B 406 50.597 51.048 12.268 1.00 45.85 O ATOM 464 H GLU B 406 53.163 55.413 9.463 1.00 0.00 H ATOM 465 N ALA B 407 51.596 53.342 8.240 1.00 39.04 N ATOM 466 CA ALA B 407 50.950 52.661 7.116 1.00 38.93 C ATOM 467 C ALA B 407 52.060 52.062 6.250 1.00 38.55 C ATOM 468 O ALA B 407 51.834 51.144 5.461 1.00 36.42 O ATOM 469 CB ALA B 407 50.125 53.654 6.304 1.00 39.07 C ATOM 470 H ALA B 407 51.737 54.371 8.190 1.00 0.00 H ATOM 471 N GLU B 408 53.265 52.601 6.438 1.00 38.53 N ATOM 472 CA GLU B 408 54.473 52.179 5.723 1.00 38.57 C ATOM 473 C GLU B 408 54.856 50.738 6.040 1.00 39.23 C ATOM 474 O GLU B 408 55.180 49.959 5.144 1.00 44.90 O ATOM 475 CB GLU B 408 55.629 53.097 6.096 1.00 39.13 C ATOM 476 CG GLU B 408 56.944 52.624 5.599 1.00 40.85 C ATOM 477 CD GLU B 408 58.048 53.562 5.998 1.00 40.90 C ATOM 478 OE1 GLU B 408 58.183 53.816 7.219 1.00 38.50 O ATOM 479 OE2 GLU B 408 58.771 54.047 5.096 1.00 41.09 O ATOM 480 H GLU B 408 53.353 53.368 7.135 1.00 0.00 H ATOM 481 N VAL B 409 54.830 50.406 7.325 1.00 38.75 N ATOM 482 CA VAL B 409 55.168 49.069 7.794 1.00 36.98 C ATOM 483 C VAL B 409 53.933 48.185 7.689 1.00 37.46 C ATOM 484 O VAL B 409 54.026 46.973 7.542 1.00 36.78 O ATOM 485 CB VAL B 409 55.583 49.083 9.268 1.00 37.42 C ATOM 486 CG1 VAL B 409 56.273 47.771 9.618 1.00 39.46 C ATOM 487 CG2 VAL B 409 56.488 50.287 9.555 1.00 39.27 C ATOM 488 H VAL B 409 54.558 51.127 8.023 1.00 0.00 H ATOM 489 N MET B 410 52.772 48.819 7.769 1.00 34.72 N ATOM 490 CA MET B 410 51.500 48.124 7.711 1.00 32.44 C ATOM 491 C MET B 410 51.129 47.654 6.301 1.00 31.10 C ATOM 492 O MET B 410 50.197 46.874 6.130 1.00 27.49 O ATOM 493 CB MET B 410 50.437 49.043 8.278 1.00 34.28 C ATOM 494 CG MET B 410 49.136 48.428 8.501 1.00 32.29 C ATOM 495 SD MET B 410 48.025 49.653 9.173 1.00 26.51 S ATOM 496 CE MET B 410 48.373 49.474 10.908 1.00 31.50 C ATOM 497 H MET B 410 52.773 49.853 7.877 1.00 0.00 H ATOM 498 N MET B 411 51.862 48.123 5.295 1.00 32.84 N ATOM 499 CA MET B 411 51.603 47.705 3.912 1.00 32.22 C ATOM 500 C MET B 411 52.538 46.562 3.538 1.00 30.94 C ATOM 501 O MET B 411 52.521 46.070 2.425 1.00 32.16 O ATOM 502 CB MET B 411 51.805 48.869 2.930 1.00 31.97 C ATOM 503 CG MET B 411 50.776 49.975 3.111 1.00 32.79 C ATOM 504 SD MET B 411 50.977 51.377 1.982 1.00 31.11 S ATOM 505 CE MET B 411 49.282 51.771 1.671 1.00 32.13 C ATOM 506 H MET B 411 52.630 48.796 5.491 1.00 0.00 H ATOM 507 N LYS B 412 53.354 46.162 4.507 1.00 27.96 N ATOM 508 CA LYS B 412 54.318 45.079 4.335 1.00 29.23 C ATOM 509 C LYS B 412 53.774 43.796 4.923 1.00 28.60 C ATOM 510 O LYS B 412 54.314 42.712 4.723 1.00 29.89 O ATOM 511 CB LYS B 412 55.622 45.429 5.045 1.00 29.24 C ATOM 512 CG LYS B 412 56.371 46.459 4.341 1.00 30.57 C ATOM 513 CD LYS B 412 57.654 46.800 5.045 1.00 30.63 C ATOM 514 CE LYS B 412 58.410 47.881 4.258 1.00 32.13 C ATOM 515 NZ LYS B 412 57.604 49.142 4.116 1.00 32.77 N ATOM 516 HZ1 LYS B 412 56.719 48.931 3.612 1.00 0.00 H ATOM 517 HZ2 LYS B 412 57.385 49.520 5.060 1.00 0.00 H ATOM 518 HZ3 LYS B 412 58.152 49.844 3.579 1.00 0.00 H ATOM 519 H LYS B 412 53.304 46.641 5.429 1.00 0.00 H ATOM 520 N LEU B 413 52.678 43.925 5.641 1.00 26.88 N ATOM 521 CA LEU B 413 52.105 42.777 6.294 1.00 25.40 C ATOM 522 C LEU B 413 50.823 42.306 5.622 1.00 25.32 C ATOM 523 O LEU B 413 49.972 43.092 5.254 1.00 25.24 O ATOM 524 CB LEU B 413 51.864 43.128 7.765 1.00 26.31 C ATOM 525 CG LEU B 413 53.105 43.771 8.408 1.00 25.52 C ATOM 526 CD1 LEU B 413 52.771 44.255 9.812 1.00 26.92 C ATOM 527 CD2 LEU B 413 54.251 42.773 8.427 1.00 24.81 C ATOM 528 H LEU B 413 52.226 44.857 5.737 1.00 0.00 H ATOM 529 N SER B 414 50.708 40.997 5.458 1.00 24.93 N ATOM 530 CA SER B 414 49.534 40.418 4.842 1.00 25.18 C ATOM 531 C SER B 414 49.130 39.118 5.542 1.00 24.72 C ATOM 532 O SER B 414 49.734 38.078 5.318 1.00 23.78 O ATOM 533 CB SER B 414 49.803 40.149 3.355 1.00 23.73 C ATOM 534 OG SER B 414 48.629 39.694 2.686 1.00 24.92 O ATOM 535 HG SER B 414 48.837 39.530 1.732 1.00 0.00 H ATOM 536 H SER B 414 51.476 40.373 5.778 1.00 0.00 H ATOM 537 N HIS B 415 48.111 39.187 6.395 1.00 25.99 N ATOM 538 CA HIS B 415 47.620 38.004 7.088 1.00 25.93 C ATOM 539 C HIS B 415 46.112 38.109 7.337 1.00 25.09 C ATOM 540 O HIS B 415 45.592 39.171 7.591 1.00 21.47 O ATOM 541 CB HIS B 415 48.379 37.806 8.402 1.00 24.50 C ATOM 542 CG HIS B 415 48.128 36.485 9.048 1.00 23.62 C ATOM 543 ND1 HIS B 415 47.003 36.229 9.806 1.00 23.83 N ATOM 544 CD2 HIS B 415 48.818 35.320 8.989 1.00 25.29 C ATOM 545 CE1 HIS B 415 47.007 34.961 10.179 1.00 24.17 C ATOM 546 NE2 HIS B 415 48.097 34.388 9.695 1.00 23.78 N ATOM 547 H HIS B 415 47.656 40.105 6.571 1.00 0.00 H ATOM 548 N PRO B 416 45.396 36.983 7.250 1.00 22.33 N ATOM 549 CA PRO B 416 43.952 37.020 7.475 1.00 25.38 C ATOM 550 C PRO B 416 43.482 37.515 8.850 1.00 23.51 C ATOM 551 O PRO B 416 42.320 37.820 9.004 1.00 23.74 O ATOM 552 CB PRO B 416 43.531 35.576 7.218 1.00 24.05 C ATOM 553 CG PRO B 416 44.508 35.119 6.230 1.00 26.53 C ATOM 554 CD PRO B 416 45.811 35.659 6.754 1.00 23.95 C ATOM 555 N LYS B 417 44.369 37.584 9.844 1.00 24.87 N ATOM 556 CA LYS B 417 43.959 38.050 11.177 1.00 26.06 C ATOM 557 C LYS B 417 44.512 39.418 11.553 1.00 25.31 C ATOM 558 O LYS B 417 44.583 39.779 12.721 1.00 26.12 O ATOM 559 CB LYS B 417 44.297 37.003 12.255 1.00 22.98 C ATOM 560 CG LYS B 417 43.758 35.634 11.861 1.00 23.72 C ATOM 561 CD LYS B 417 42.209 35.716 11.681 1.00 26.11 C ATOM 562 CE LYS B 417 41.575 34.395 11.271 1.00 23.63 C ATOM 563 NZ LYS B 417 41.780 33.293 12.244 1.00 24.64 N ATOM 564 HZ1 LYS B 417 42.799 33.120 12.360 1.00 0.00 H ATOM 565 HZ2 LYS B 417 41.366 33.559 13.160 1.00 0.00 H ATOM 566 HZ3 LYS B 417 41.319 32.430 11.891 1.00 0.00 H ATOM 567 H LYS B 417 45.357 37.306 9.675 1.00 0.00 H ATOM 568 N LEU B 418 44.870 40.171 10.516 1.00 24.02 N ATOM 569 CA LEU B 418 45.390 41.525 10.637 1.00 24.61 C ATOM 570 C LEU B 418 44.534 42.413 9.721 1.00 26.38 C ATOM 571 O LEU B 418 44.305 42.066 8.564 1.00 25.00 O ATOM 572 CB LEU B 418 46.856 41.577 10.180 1.00 24.89 C ATOM 573 CG LEU B 418 47.959 40.781 10.885 1.00 25.54 C ATOM 574 CD1 LEU B 418 49.303 41.117 10.244 1.00 25.42 C ATOM 575 CD2 LEU B 418 47.979 41.127 12.370 1.00 24.31 C ATOM 576 H LEU B 418 44.772 39.768 9.562 1.00 0.00 H ATOM 577 N VAL B 419 44.042 43.535 10.247 1.00 23.54 N ATOM 578 CA VAL B 419 43.233 44.460 9.456 1.00 24.70 C ATOM 579 C VAL B 419 44.016 44.888 8.211 1.00 24.68 C ATOM 580 O VAL B 419 45.244 45.112 8.257 1.00 23.85 O ATOM 581 CB VAL B 419 42.843 45.739 10.275 1.00 24.61 C ATOM 582 CG1 VAL B 419 44.048 46.688 10.395 1.00 25.10 C ATOM 583 CG2 VAL B 419 41.648 46.437 9.628 1.00 25.54 C ATOM 584 H VAL B 419 44.239 43.757 11.244 1.00 0.00 H ATOM 585 N GLN B 420 43.316 44.983 7.088 1.00 24.28 N ATOM 586 CA GLN B 420 43.961 45.398 5.861 1.00 24.48 C ATOM 587 C GLN B 420 43.766 46.873 5.558 1.00 25.02 C ATOM 588 O GLN B 420 42.830 47.508 6.026 1.00 23.13 O ATOM 589 CB GLN B 420 43.478 44.578 4.665 1.00 24.98 C ATOM 590 CG GLN B 420 43.983 43.165 4.664 1.00 25.19 C ATOM 591 CD GLN B 420 43.502 42.394 3.449 1.00 26.52 C ATOM 592 OE1 GLN B 420 42.314 42.169 3.260 1.00 24.67 O ATOM 593 NE2 GLN B 420 44.446 42.004 2.602 1.00 24.89 N ATOM 594 HE22 GLN B 420 45.444 42.217 2.802 1.00 0.00 H ATOM 595 HE21 GLN B 420 44.188 41.486 1.738 1.00 0.00 H ATOM 596 H GLN B 420 42.301 44.758 7.090 1.00 0.00 H ATOM 597 N LEU B 421 44.685 47.376 4.734 1.00 23.36 N ATOM 598 CA LEU B 421 44.719 48.765 4.284 1.00 25.13 C ATOM 599 C LEU B 421 44.248 48.870 2.823 1.00 26.13 C ATOM 600 O LEU B 421 44.553 48.017 1.997 1.00 26.00 O ATOM 601 CB LEU B 421 46.155 49.289 4.412 1.00 24.04 C ATOM 602 CG LEU B 421 46.411 50.728 4.860 1.00 24.37 C ATOM 603 CD1 LEU B 421 45.712 51.027 6.177 1.00 25.40 C ATOM 604 CD2 LEU B 421 47.919 50.929 4.980 1.00 26.74 C ATOM 605 H LEU B 421 45.428 46.736 4.388 1.00 0.00 H ATOM 606 N TYR B 422 43.465 49.908 2.536 1.00 24.90 N ATOM 607 CA TYR B 422 42.992 50.154 1.175 1.00 24.85 C ATOM 608 C TYR B 422 43.960 51.155 0.544 1.00 24.60 C ATOM 609 O TYR B 422 44.343 51.028 -0.613 1.00 27.20 O ATOM 610 CB TYR B 422 41.570 50.731 1.170 1.00 25.28 C ATOM 611 CG TYR B 422 40.495 49.714 0.901 1.00 24.86 C ATOM 612 CD1 TYR B 422 39.572 49.368 1.884 1.00 24.62 C ATOM 613 CD2 TYR B 422 40.410 49.074 -0.328 1.00 23.91 C ATOM 614 CE1 TYR B 422 38.592 48.404 1.652 1.00 25.20 C ATOM 615 CE2 TYR B 422 39.426 48.104 -0.573 1.00 24.94 C ATOM 616 CZ TYR B 422 38.524 47.772 0.424 1.00 22.88 C ATOM 617 OH TYR B 422 37.592 46.781 0.207 1.00 22.73 O ATOM 618 HH TYR B 422 37.032 46.674 1.016 1.00 0.00 H ATOM 619 H TYR B 422 43.184 50.558 3.297 1.00 0.00 H ATOM 620 N GLY B 423 44.357 52.141 1.339 1.00 25.94 N ATOM 621 CA GLY B 423 45.280 53.155 0.880 1.00 24.23 C ATOM 622 C GLY B 423 45.493 54.223 1.930 1.00 25.91 C ATOM 623 O GLY B 423 45.003 54.115 3.020 1.00 23.70 O ATOM 624 H GLY B 423 43.996 52.185 2.313 1.00 0.00 H ATOM 625 N VAL B 424 46.229 55.265 1.573 1.00 25.78 N ATOM 626 CA VAL B 424 46.508 56.369 2.482 1.00 26.70 C ATOM 627 C VAL B 424 46.296 57.677 1.720 1.00 28.93 C ATOM 628 O VAL B 424 46.307 57.699 0.507 1.00 25.76 O ATOM 629 CB VAL B 424 47.979 56.320 2.992 1.00 25.94 C ATOM 630 CG1 VAL B 424 48.248 55.016 3.731 1.00 25.90 C ATOM 631 CG2 VAL B 424 48.946 56.467 1.826 1.00 26.16 C ATOM 632 H VAL B 424 46.621 55.296 0.610 1.00 0.00 H ATOM 633 N CYS B 425 46.073 58.758 2.459 1.00 30.07 N ATOM 634 CA CYS B 425 45.917 60.072 1.847 1.00 32.77 C ATOM 635 C CYS B 425 46.989 60.950 2.459 1.00 35.68 C ATOM 636 O CYS B 425 46.840 61.400 3.571 1.00 38.29 O ATOM 637 CB CYS B 425 44.547 60.694 2.148 1.00 34.40 C ATOM 638 SG CYS B 425 43.190 60.142 1.119 1.00 44.26 S ATOM 639 H CYS B 425 46.009 58.665 3.493 1.00 0.00 H ATOM 640 N LEU B 426 48.076 61.181 1.735 1.00 38.87 N ATOM 641 CA LEU B 426 49.138 62.028 2.262 1.00 38.57 C ATOM 642 C LEU B 426 49.215 63.296 1.426 1.00 39.34 C ATOM 643 O LEU B 426 50.111 64.141 1.603 1.00 41.77 O ATOM 644 CB LEU B 426 50.474 61.286 2.252 1.00 38.03 C ATOM 645 CG LEU B 426 50.413 59.891 2.882 1.00 37.81 C ATOM 646 CD1 LEU B 426 51.818 59.365 3.015 1.00 37.59 C ATOM 647 CD2 LEU B 426 49.730 59.927 4.238 1.00 37.32 C ATOM 648 H LEU B 426 48.170 60.757 0.790 1.00 0.00 H ATOM 649 N GLU B 427 48.259 63.424 0.511 1.00 40.50 N ATOM 650 CA GLU B 427 48.197 64.609 -0.325 1.00 42.74 C ATOM 651 C GLU B 427 48.078 65.690 0.721 1.00 43.32 C ATOM 652 O GLU B 427 47.268 65.563 1.632 1.00 45.72 O ATOM 653 CB GLU B 427 46.946 64.596 -1.210 1.00 41.56 C ATOM 654 CG GLU B 427 45.643 64.389 -0.438 1.00 41.46 C ATOM 655 CD GLU B 427 44.425 64.375 -1.344 1.00 42.39 C ATOM 656 OE1 GLU B 427 44.211 65.382 -2.065 1.00 41.19 O ATOM 657 OE2 GLU B 427 43.688 63.357 -1.337 1.00 41.33 O ATOM 658 H GLU B 427 47.552 62.671 0.394 1.00 0.00 H ATOM 659 N GLN B 428 48.914 66.719 0.618 1.00 44.06 N ATOM 660 CA GLN B 428 48.906 67.840 1.555 1.00 43.34 C ATOM 661 C GLN B 428 47.654 67.869 2.455 1.00 42.38 C ATOM 662 O GLN B 428 47.769 68.014 3.682 1.00 41.01 O ATOM 663 CB GLN B 428 49.043 69.142 0.769 1.00 43.97 C ATOM 664 CG GLN B 428 50.319 69.203 -0.054 1.00 44.38 C ATOM 665 CD GLN B 428 50.447 70.493 -0.839 1.00 45.40 C ATOM 666 OE1 GLN B 428 51.455 70.717 -1.516 1.00 47.61 O ATOM 667 NE2 GLN B 428 49.426 71.346 -0.762 1.00 45.74 N ATOM 668 HE22 GLN B 428 48.597 71.114 -0.178 1.00 0.00 H ATOM 669 HE21 GLN B 428 49.458 72.244 -1.286 1.00 0.00 H ATOM 670 H GLN B 428 49.602 66.726 -0.162 1.00 0.00 H ATOM 671 N ALA B 429 46.471 67.737 1.849 1.00 41.97 N ATOM 672 CA ALA B 429 45.226 67.692 2.607 1.00 40.53 C ATOM 673 C ALA B 429 45.462 66.854 3.863 1.00 39.01 C ATOM 674 O ALA B 429 46.108 65.788 3.797 1.00 37.07 O ATOM 675 CB ALA B 429 44.118 67.050 1.764 1.00 39.88 C ATOM 676 H ALA B 429 46.437 67.665 0.812 1.00 0.00 H ATOM 677 N PRO B 430 44.946 67.321 5.021 1.00 38.57 N ATOM 678 CA PRO B 430 45.073 66.649 6.323 1.00 37.76 C ATOM 679 C PRO B 430 45.027 65.108 6.357 1.00 36.82 C ATOM 680 O PRO B 430 43.976 64.481 6.460 1.00 34.06 O ATOM 681 CB PRO B 430 43.977 67.302 7.161 1.00 37.43 C ATOM 682 CG PRO B 430 43.061 67.957 6.137 1.00 37.93 C ATOM 683 CD PRO B 430 44.037 68.473 5.133 1.00 37.52 C ATOM 684 N ILE B 431 46.224 64.542 6.276 1.00 34.38 N ATOM 685 CA ILE B 431 46.528 63.115 6.295 1.00 32.59 C ATOM 686 C ILE B 431 45.546 62.120 6.924 1.00 31.55 C ATOM 687 O ILE B 431 44.928 62.389 7.933 1.00 31.14 O ATOM 688 CB ILE B 431 47.907 62.927 6.978 1.00 33.06 C ATOM 689 CG1 ILE B 431 48.897 63.943 6.415 1.00 33.24 C ATOM 690 CG2 ILE B 431 48.435 61.530 6.751 1.00 34.11 C ATOM 691 CD1 ILE B 431 48.730 64.219 4.924 1.00 31.78 C ATOM 692 H ILE B 431 47.036 65.187 6.189 1.00 0.00 H ATOM 693 N CYS B 432 45.462 60.945 6.306 1.00 29.54 N ATOM 694 CA CYS B 432 44.613 59.861 6.783 1.00 27.01 C ATOM 695 C CYS B 432 44.909 58.498 6.124 1.00 25.75 C ATOM 696 O CYS B 432 45.395 58.432 4.977 1.00 24.79 O ATOM 697 CB CYS B 432 43.142 60.243 6.601 1.00 24.96 C ATOM 698 SG CYS B 432 42.522 60.130 4.915 1.00 21.86 S ATOM 699 H CYS B 432 46.026 60.794 5.446 1.00 0.00 H ATOM 700 N LEU B 433 44.665 57.427 6.879 1.00 25.70 N ATOM 701 CA LEU B 433 44.862 56.058 6.407 1.00 24.58 C ATOM 702 C LEU B 433 43.479 55.510 6.126 1.00 25.02 C ATOM 703 O LEU B 433 42.551 55.828 6.846 1.00 23.78 O ATOM 704 CB LEU B 433 45.548 55.201 7.490 1.00 24.87 C ATOM 705 CG LEU B 433 47.083 55.165 7.538 1.00 27.19 C ATOM 706 CD1 LEU B 433 47.663 56.540 7.366 1.00 25.05 C ATOM 707 CD2 LEU B 433 47.542 54.591 8.862 1.00 24.94 C ATOM 708 H LEU B 433 44.318 57.572 7.849 1.00 0.00 H ATOM 709 N VAL B 434 43.338 54.708 5.076 1.00 25.98 N ATOM 710 CA VAL B 434 42.036 54.133 4.730 1.00 26.18 C ATOM 711 C VAL B 434 42.067 52.598 4.902 1.00 24.88 C ATOM 712 O VAL B 434 42.721 51.880 4.132 1.00 23.83 O ATOM 713 CB VAL B 434 41.626 54.504 3.265 1.00 24.22 C ATOM 714 CG1 VAL B 434 40.265 53.931 2.936 1.00 24.23 C ATOM 715 CG2 VAL B 434 41.582 56.026 3.090 1.00 25.59 C ATOM 716 H VAL B 434 44.167 54.485 4.489 1.00 0.00 H ATOM 717 N PHE B 435 41.376 52.117 5.938 1.00 24.41 N ATOM 718 CA PHE B 435 41.308 50.684 6.246 1.00 25.32 C ATOM 719 C PHE B 435 40.042 50.019 5.723 1.00 24.91 C ATOM 720 O PHE B 435 39.108 50.681 5.318 1.00 23.96 O ATOM 721 CB PHE B 435 41.324 50.428 7.759 1.00 25.15 C ATOM 722 CG PHE B 435 42.557 50.889 8.445 1.00 25.43 C ATOM 723 CD1 PHE B 435 42.710 52.224 8.826 1.00 24.73 C ATOM 724 CD2 PHE B 435 43.598 49.999 8.681 1.00 25.62 C ATOM 725 CE1 PHE B 435 43.887 52.664 9.424 1.00 25.71 C ATOM 726 CE2 PHE B 435 44.779 50.428 9.277 1.00 26.06 C ATOM 727 CZ PHE B 435 44.918 51.767 9.644 1.00 24.46 C ATOM 728 H PHE B 435 40.866 52.784 6.551 1.00 0.00 H ATOM 729 N GLU B 436 40.035 48.689 5.752 1.00 25.99 N ATOM 730 CA GLU B 436 38.850 47.935 5.355 1.00 23.37 C ATOM 731 C GLU B 436 37.925 48.160 6.551 1.00 26.83 C ATOM 732 O GLU B 436 38.411 48.466 7.642 1.00 23.15 O ATOM 733 CB GLU B 436 39.159 46.435 5.239 1.00 25.86 C ATOM 734 CG GLU B 436 39.260 45.708 6.626 1.00 27.59 C ATOM 735 CD GLU B 436 39.547 44.230 6.501 1.00 27.02 C ATOM 736 OE1 GLU B 436 40.677 43.805 6.822 1.00 25.40 O ATOM 737 OE2 GLU B 436 38.626 43.494 6.081 1.00 29.64 O ATOM 738 H GLU B 436 40.887 48.179 6.062 1.00 0.00 H ATOM 739 N PHE B 437 36.616 48.029 6.366 1.00 23.56 N ATOM 740 CA PHE B 437 35.682 48.226 7.478 1.00 23.86 C ATOM 741 C PHE B 437 35.256 46.911 8.118 1.00 24.76 C ATOM 742 O PHE B 437 34.770 46.004 7.431 1.00 25.98 O ATOM 743 CB PHE B 437 34.444 48.994 7.003 1.00 24.13 C ATOM 744 CG PHE B 437 33.506 49.367 8.110 1.00 25.45 C ATOM 745 CD1 PHE B 437 33.913 50.242 9.115 1.00 26.76 C ATOM 746 CD2 PHE B 437 32.220 48.837 8.165 1.00 23.69 C ATOM 747 CE1 PHE B 437 33.070 50.581 10.153 1.00 25.99 C ATOM 748 CE2 PHE B 437 31.355 49.175 9.207 1.00 26.47 C ATOM 749 CZ PHE B 437 31.781 50.046 10.204 1.00 25.35 C ATOM 750 H PHE B 437 36.251 47.784 5.423 1.00 0.00 H ATOM 751 N MET B 438 35.464 46.818 9.426 1.00 23.82 N ATOM 752 CA MET B 438 35.102 45.664 10.245 1.00 24.77 C ATOM 753 C MET B 438 33.757 46.025 10.878 1.00 25.24 C ATOM 754 O MET B 438 33.660 46.907 11.728 1.00 27.97 O ATOM 755 CB MET B 438 36.170 45.464 11.312 1.00 24.79 C ATOM 756 CG MET B 438 37.546 45.198 10.712 1.00 25.78 C ATOM 757 SD MET B 438 37.486 43.715 9.711 1.00 23.12 S ATOM 758 CE MET B 438 37.742 42.483 11.006 1.00 25.64 C ATOM 759 H MET B 438 35.917 47.624 9.901 1.00 0.00 H ATOM 760 N GLU B 439 32.727 45.335 10.418 1.00 24.94 N ATOM 761 CA GLU B 439 31.347 45.564 10.818 1.00 24.57 C ATOM 762 C GLU B 439 30.976 45.594 12.303 1.00 27.24 C ATOM 763 O GLU B 439 30.208 46.462 12.724 1.00 23.96 O ATOM 764 CB GLU B 439 30.467 44.545 10.094 1.00 24.68 C ATOM 765 CG GLU B 439 29.021 44.972 9.891 1.00 25.21 C ATOM 766 CD GLU B 439 28.879 46.253 9.066 1.00 26.06 C ATOM 767 OE1 GLU B 439 29.550 46.395 8.002 1.00 26.44 O ATOM 768 OE2 GLU B 439 28.081 47.118 9.494 1.00 25.06 O ATOM 769 H GLU B 439 32.915 44.581 9.727 1.00 0.00 H ATOM 770 N HIS B 440 31.504 44.671 13.105 1.00 24.81 N ATOM 771 CA HIS B 440 31.133 44.629 14.519 1.00 25.35 C ATOM 772 C HIS B 440 31.933 45.484 15.484 1.00 25.82 C ATOM 773 O HIS B 440 31.848 45.283 16.669 1.00 25.87 O ATOM 774 CB HIS B 440 31.128 43.186 15.014 1.00 26.62 C ATOM 775 CG HIS B 440 30.043 42.367 14.408 1.00 25.33 C ATOM 776 ND1 HIS B 440 28.709 42.677 14.574 1.00 26.82 N ATOM 777 CD2 HIS B 440 30.083 41.319 13.553 1.00 26.40 C ATOM 778 CE1 HIS B 440 27.977 41.861 13.841 1.00 25.50 C ATOM 779 NE2 HIS B 440 28.786 41.026 13.209 1.00 25.38 N ATOM 780 H HIS B 440 32.181 43.979 12.725 1.00 0.00 H ATOM 781 N GLY B 441 32.711 46.427 14.959 1.00 24.84 N ATOM 782 CA GLY B 441 33.503 47.302 15.811 1.00 25.94 C ATOM 783 C GLY B 441 34.682 46.639 16.504 1.00 24.30 C ATOM 784 O GLY B 441 35.102 45.557 16.127 1.00 23.35 O ATOM 785 H GLY B 441 32.754 46.540 13.926 1.00 0.00 H ATOM 786 N CYS B 442 35.219 47.309 17.524 1.00 24.66 N ATOM 787 CA CYS B 442 36.362 46.787 18.272 1.00 25.96 C ATOM 788 C CYS B 442 35.949 45.700 19.268 1.00 23.68 C ATOM 789 O CYS B 442 34.854 45.721 19.803 1.00 27.77 O ATOM 790 CB CYS B 442 37.110 47.926 18.989 1.00 26.23 C ATOM 791 SG CYS B 442 36.465 48.566 20.573 1.00 25.04 S ATOM 792 H CYS B 442 34.814 48.228 17.795 1.00 0.00 H ATOM 793 N LEU B 443 36.855 44.751 19.500 1.00 23.62 N ATOM 794 CA LEU B 443 36.613 43.622 20.410 1.00 24.95 C ATOM 795 C LEU B 443 36.094 44.025 21.804 1.00 24.94 C ATOM 796 O LEU B 443 35.196 43.376 22.351 1.00 23.77 O ATOM 797 CB LEU B 443 37.885 42.756 20.525 1.00 26.06 C ATOM 798 CG LEU B 443 37.760 41.420 21.279 1.00 25.45 C ATOM 799 CD1 LEU B 443 36.564 40.645 20.741 1.00 24.30 C ATOM 800 CD2 LEU B 443 39.038 40.609 21.151 1.00 25.57 C ATOM 801 H LEU B 443 37.774 44.812 19.016 1.00 0.00 H ATOM 802 N SER B 444 36.654 45.100 22.360 1.00 24.36 N ATOM 803 CA SER B 444 36.250 45.634 23.670 1.00 26.72 C ATOM 804 C SER B 444 34.747 45.870 23.746 1.00 25.04 C ATOM 805 O SER B 444 34.057 45.329 24.612 1.00 24.08 O ATOM 806 CB SER B 444 36.958 46.966 23.954 1.00 24.44 C ATOM 807 OG SER B 444 38.279 46.745 24.405 1.00 30.38 O ATOM 808 HG SER B 444 38.716 47.616 24.582 1.00 0.00 H ATOM 809 H SER B 444 37.414 45.585 21.842 1.00 0.00 H ATOM 810 N ASP B 445 34.258 46.707 22.833 1.00 25.73 N ATOM 811 CA ASP B 445 32.843 47.046 22.780 1.00 25.24 C ATOM 812 C ASP B 445 31.947 45.872 22.417 1.00 24.95 C ATOM 813 O ASP B 445 30.831 45.796 22.866 1.00 26.35 O ATOM 814 CB ASP B 445 32.601 48.200 21.790 1.00 26.96 C ATOM 815 CG ASP B 445 33.152 49.538 22.289 1.00 27.83 C ATOM 816 OD1 ASP B 445 32.800 50.588 21.719 1.00 23.49 O ATOM 817 OD2 ASP B 445 33.935 49.543 23.257 1.00 29.95 O ATOM 818 H ASP B 445 34.905 47.131 22.138 1.00 0.00 H ATOM 819 N TYR B 446 32.448 44.971 21.582 1.00 23.38 N ATOM 820 CA TYR B 446 31.667 43.816 21.143 1.00 26.15 C ATOM 821 C TYR B 446 31.372 42.823 22.280 1.00 25.03 C ATOM 822 O TYR B 446 30.258 42.322 22.391 1.00 26.79 O ATOM 823 CB TYR B 446 32.403 43.102 20.009 1.00 25.11 C ATOM 824 CG TYR B 446 31.640 41.967 19.421 1.00 24.73 C ATOM 825 CD1 TYR B 446 30.521 42.192 18.631 1.00 25.45 C ATOM 826 CD2 TYR B 446 32.038 40.661 19.643 1.00 24.04 C ATOM 827 CE1 TYR B 446 29.818 41.129 18.065 1.00 26.32 C ATOM 828 CE2 TYR B 446 31.350 39.600 19.093 1.00 25.56 C ATOM 829 CZ TYR B 446 30.244 39.838 18.300 1.00 26.66 C ATOM 830 OH TYR B 446 29.592 38.788 17.705 1.00 24.32 O ATOM 831 HH TYR B 446 29.260 38.169 18.403 1.00 0.00 H ATOM 832 H TYR B 446 33.420 45.089 21.231 1.00 0.00 H ATOM 833 N LEU B 447 32.382 42.531 23.101 1.00 23.29 N ATOM 834 CA LEU B 447 32.246 41.601 24.227 1.00 24.57 C ATOM 835 C LEU B 447 31.183 42.045 25.259 1.00 24.52 C ATOM 836 O LEU B 447 30.375 41.235 25.749 1.00 22.24 O ATOM 837 CB LEU B 447 33.602 41.452 24.933 1.00 24.65 C ATOM 838 CG LEU B 447 34.784 40.771 24.227 1.00 25.57 C ATOM 839 CD1 LEU B 447 36.059 41.037 25.022 1.00 25.93 C ATOM 840 CD2 LEU B 447 34.548 39.265 24.109 1.00 23.88 C ATOM 841 H LEU B 447 33.305 42.982 22.936 1.00 0.00 H ATOM 842 N ARG B 448 31.181 43.335 25.580 1.00 26.77 N ATOM 843 CA ARG B 448 30.236 43.876 26.555 1.00 27.45 C ATOM 844 C ARG B 448 28.800 44.098 26.053 1.00 27.76 C ATOM 845 O ARG B 448 27.843 43.809 26.762 1.00 20.36 O ATOM 846 CB ARG B 448 30.754 45.204 27.096 1.00 29.70 C ATOM 847 CG ARG B 448 32.227 45.356 27.062 1.00 30.71 C ATOM 848 CD ARG B 448 32.617 46.725 27.619 1.00 33.04 C ATOM 849 NE ARG B 448 34.060 46.914 27.587 1.00 34.89 N ATOM 850 CZ ARG B 448 34.666 47.995 27.107 1.00 36.03 C ATOM 851 NH1 ARG B 448 33.955 49.001 26.611 1.00 35.37 N ATOM 852 NH2 ARG B 448 35.992 48.071 27.125 1.00 36.17 N ATOM 853 HE ARG B 448 34.657 46.151 27.965 1.00 0.00 H ATOM 854 HH12 ARG B 448 34.437 49.844 26.237 1.00 0.00 H ATOM 855 HH11 ARG B 448 32.917 48.946 26.596 1.00 0.00 H ATOM 856 HH22 ARG B 448 36.470 48.915 26.750 1.00 0.00 H ATOM 857 HH21 ARG B 448 36.553 47.286 27.514 1.00 0.00 H ATOM 858 H ARG B 448 31.867 43.973 25.128 1.00 0.00 H ATOM 859 N THR B 449 28.661 44.604 24.831 1.00 28.79 N ATOM 860 CA THR B 449 27.346 44.925 24.269 1.00 33.68 C ATOM 861 C THR B 449 26.394 43.829 23.820 1.00 35.55 C ATOM 862 O THR B 449 26.436 42.685 24.273 1.00 49.54 O ATOM 863 CB THR B 449 27.454 45.874 23.054 1.00 33.06 C ATOM 864 OG1 THR B 449 28.253 45.264 22.031 1.00 39.16 O ATOM 865 CG2 THR B 449 28.026 47.191 23.467 1.00 33.54 C ATOM 866 HG1 THR B 449 28.318 45.876 21.256 1.00 0.00 H ATOM 867 H THR B 449 29.511 44.777 24.257 1.00 0.00 H ATOM 868 N GLN B 450 25.503 44.254 22.922 1.00 32.39 N ATOM 869 CA GLN B 450 24.493 43.412 22.302 1.00 31.26 C ATOM 870 C GLN B 450 25.229 42.257 21.637 1.00 28.89 C ATOM 871 O GLN B 450 25.427 42.226 20.420 1.00 29.05 O ATOM 872 CB GLN B 450 23.679 44.224 21.279 1.00 29.52 C ATOM 873 CG GLN B 450 22.968 43.376 20.167 1.00 28.22 C ATOM 874 CD GLN B 450 21.979 42.358 20.712 1.00 27.74 C ATOM 875 OE1 GLN B 450 21.009 42.705 21.395 1.00 25.13 O ATOM 876 NE2 GLN B 450 22.217 41.088 20.402 1.00 27.67 N ATOM 877 HE22 GLN B 450 23.046 40.840 19.824 1.00 0.00 H ATOM 878 HE21 GLN B 450 21.575 40.342 20.737 1.00 0.00 H ATOM 879 H GLN B 450 25.533 45.256 22.647 1.00 0.00 H ATOM 880 N ARG B 451 25.649 41.331 22.494 1.00 35.43 N ATOM 881 CA ARG B 451 26.390 40.118 22.181 1.00 36.14 C ATOM 882 C ARG B 451 27.425 40.006 23.293 1.00 33.03 C ATOM 883 O ARG B 451 28.617 40.181 23.073 1.00 41.89 O ATOM 884 CB ARG B 451 27.069 40.169 20.802 1.00 35.58 C ATOM 885 CG ARG B 451 26.075 39.902 19.611 1.00 38.57 C ATOM 886 CD ARG B 451 26.752 39.946 18.223 1.00 40.41 C ATOM 887 NE ARG B 451 25.798 39.702 17.142 1.00 39.32 N ATOM 888 CZ ARG B 451 26.127 39.175 15.965 1.00 41.17 C ATOM 889 NH1 ARG B 451 27.387 38.827 15.725 1.00 41.33 N ATOM 890 NH2 ARG B 451 25.208 39.014 15.019 1.00 42.10 N ATOM 891 HE ARG B 451 24.802 39.956 17.303 1.00 0.00 H ATOM 892 HH12 ARG B 451 27.647 38.415 14.806 1.00 0.00 H ATOM 893 HH11 ARG B 451 28.113 38.967 16.456 1.00 0.00 H ATOM 894 HH22 ARG B 451 25.473 38.601 14.102 1.00 0.00 H ATOM 895 HH21 ARG B 451 24.224 39.301 15.196 1.00 0.00 H ATOM 896 H ARG B 451 25.424 41.491 23.497 1.00 0.00 H ATOM 897 N GLY B 452 26.905 39.766 24.499 1.00 35.09 N ATOM 898 CA GLY B 452 27.692 39.576 25.702 1.00 29.90 C ATOM 899 C GLY B 452 27.137 38.268 26.242 1.00 30.69 C ATOM 900 O GLY B 452 26.934 38.079 27.472 1.00 28.80 O ATOM 901 H GLY B 452 25.870 39.712 24.581 1.00 0.00 H ATOM 902 N LEU B 453 26.868 37.359 25.300 1.00 29.01 N ATOM 903 CA LEU B 453 26.313 36.030 25.575 1.00 27.65 C ATOM 904 C LEU B 453 26.975 34.962 24.701 1.00 27.63 C ATOM 905 O LEU B 453 26.355 34.451 23.770 1.00 20.66 O ATOM 906 CB LEU B 453 24.805 36.044 25.299 1.00 28.59 C ATOM 907 CG LEU B 453 24.300 37.055 24.261 1.00 28.48 C ATOM 908 CD1 LEU B 453 24.643 36.629 22.857 1.00 27.19 C ATOM 909 CD2 LEU B 453 22.815 37.175 24.407 1.00 26.87 C ATOM 910 H LEU B 453 27.065 37.610 24.310 1.00 0.00 H ATOM 911 N PHE B 454 28.229 34.638 25.008 1.00 25.45 N ATOM 912 CA PHE B 454 29.004 33.668 24.249 1.00 24.88 C ATOM 913 C PHE B 454 29.211 32.333 24.970 1.00 24.89 C ATOM 914 O PHE B 454 28.988 32.207 26.180 1.00 26.49 O ATOM 915 CB PHE B 454 30.406 34.215 23.950 1.00 26.35 C ATOM 916 CG PHE B 454 30.442 35.629 23.471 1.00 26.20 C ATOM 917 CD1 PHE B 454 30.347 36.684 24.372 1.00 25.71 C ATOM 918 CD2 PHE B 454 30.622 35.912 22.111 1.00 25.94 C ATOM 919 CE1 PHE B 454 30.437 38.007 23.918 1.00 26.21 C ATOM 920 CE2 PHE B 454 30.712 37.210 21.654 1.00 25.19 C ATOM 921 CZ PHE B 454 30.620 38.265 22.559 1.00 25.97 C ATOM 922 H PHE B 454 28.675 35.099 25.827 1.00 0.00 H ATOM 923 N ALA B 455 29.650 31.341 24.189 1.00 25.91 N ATOM 924 CA ALA B 455 29.982 30.005 24.689 1.00 26.07 C ATOM 925 C ALA B 455 31.499 30.080 24.876 1.00 27.57 C ATOM 926 O ALA B 455 32.168 30.853 24.218 1.00 36.94 O ATOM 927 CB ALA B 455 29.623 28.936 23.663 1.00 24.63 C ATOM 928 H ALA B 455 29.762 31.528 23.172 1.00 0.00 H ATOM 929 N ALA B 456 32.040 29.282 25.782 1.00 24.47 N ATOM 930 CA ALA B 456 33.472 29.290 26.047 1.00 24.25 C ATOM 931 C ALA B 456 34.320 29.026 24.790 1.00 25.90 C ATOM 932 O ALA B 456 35.434 29.546 24.670 1.00 25.56 O ATOM 933 CB ALA B 456 33.794 28.277 27.154 1.00 26.40 C ATOM 934 H ALA B 456 31.428 28.634 26.318 1.00 0.00 H ATOM 935 N GLU B 457 33.775 28.244 23.854 1.00 25.19 N ATOM 936 CA GLU B 457 34.464 27.901 22.600 1.00 28.07 C ATOM 937 C GLU B 457 34.727 29.134 21.766 1.00 26.83 C ATOM 938 O GLU B 457 35.836 29.364 21.315 1.00 29.88 O ATOM 939 CB GLU B 457 33.628 26.958 21.738 1.00 29.76 C ATOM 940 CG GLU B 457 33.235 25.675 22.357 1.00 28.13 C ATOM 941 CD GLU B 457 32.415 24.837 21.388 1.00 29.37 C ATOM 942 OE1 GLU B 457 31.403 25.356 20.867 1.00 21.68 O ATOM 943 OE2 GLU B 457 32.788 23.666 21.136 1.00 29.49 O ATOM 944 H GLU B 457 32.822 27.861 24.019 1.00 0.00 H ATOM 945 N THR B 458 33.655 29.887 21.539 1.00 27.17 N ATOM 946 CA THR B 458 33.690 31.114 20.760 1.00 25.90 C ATOM 947 C THR B 458 34.756 32.024 21.332 1.00 26.31 C ATOM 948 O THR B 458 35.567 32.539 20.587 1.00 26.28 O ATOM 949 CB THR B 458 32.333 31.861 20.815 1.00 25.02 C ATOM 950 OG1 THR B 458 31.274 30.944 20.508 1.00 24.58 O ATOM 951 CG2 THR B 458 32.295 33.016 19.822 1.00 25.56 C ATOM 952 HG1 THR B 458 30.407 31.420 20.543 1.00 0.00 H ATOM 953 H THR B 458 32.745 29.583 21.939 1.00 0.00 H ATOM 954 N LEU B 459 34.755 32.224 22.649 1.00 23.71 N ATOM 955 CA LEU B 459 35.743 33.085 23.301 1.00 25.15 C ATOM 956 C LEU B 459 37.156 32.588 22.995 1.00 24.90 C ATOM 957 O LEU B 459 38.035 33.365 22.673 1.00 24.55 O ATOM 958 CB LEU B 459 35.504 33.107 24.811 1.00 26.38 C ATOM 959 CG LEU B 459 34.121 33.564 25.286 1.00 25.03 C ATOM 960 CD1 LEU B 459 34.130 33.525 26.823 1.00 25.95 C ATOM 961 CD2 LEU B 459 33.776 34.960 24.762 1.00 26.00 C ATOM 962 H LEU B 459 34.032 31.755 23.231 1.00 0.00 H ATOM 963 N LEU B 460 37.355 31.274 23.112 1.00 23.65 N ATOM 964 CA LEU B 460 38.658 30.682 22.806 1.00 23.45 C ATOM 965 C LEU B 460 38.989 30.870 21.317 1.00 24.49 C ATOM 966 O LEU B 460 40.153 31.089 20.942 1.00 22.01 O ATOM 967 CB LEU B 460 38.663 29.194 23.131 1.00 26.46 C ATOM 968 CG LEU B 460 40.060 28.584 22.967 1.00 25.36 C ATOM 969 CD1 LEU B 460 41.023 29.245 23.946 1.00 22.78 C ATOM 970 CD2 LEU B 460 39.996 27.077 23.181 1.00 25.04 C ATOM 971 H LEU B 460 36.574 30.662 23.425 1.00 0.00 H ATOM 972 N GLY B 461 37.961 30.759 20.471 1.00 23.37 N ATOM 973 CA GLY B 461 38.143 30.943 19.042 1.00 23.99 C ATOM 974 C GLY B 461 38.631 32.358 18.799 1.00 24.41 C ATOM 975 O GLY B 461 39.457 32.580 17.961 1.00 25.32 O ATOM 976 H GLY B 461 37.015 30.537 20.842 1.00 0.00 H ATOM 977 N MET B 462 38.107 33.309 19.570 1.00 23.76 N ATOM 978 CA MET B 462 38.494 34.717 19.469 1.00 25.76 C ATOM 979 C MET B 462 39.964 34.945 19.810 1.00 23.60 C ATOM 980 O MET B 462 40.647 35.728 19.151 1.00 23.20 O ATOM 981 CB MET B 462 37.641 35.546 20.408 1.00 24.81 C ATOM 982 CG MET B 462 36.298 35.823 19.886 1.00 25.35 C ATOM 983 SD MET B 462 35.415 36.784 21.099 1.00 20.44 S ATOM 984 CE MET B 462 33.901 35.791 21.119 1.00 26.84 C ATOM 985 H MET B 462 37.391 33.039 20.275 1.00 0.00 H ATOM 986 N CYS B 463 40.425 34.250 20.854 1.00 23.55 N ATOM 987 CA CYS B 463 41.810 34.318 21.320 1.00 24.49 C ATOM 988 C CYS B 463 42.781 33.691 20.311 1.00 24.87 C ATOM 989 O CYS B 463 43.947 34.074 20.282 1.00 22.44 O ATOM 990 CB CYS B 463 41.960 33.638 22.694 1.00 25.15 C ATOM 991 SG CYS B 463 41.199 34.520 24.105 1.00 20.44 S ATOM 992 H CYS B 463 39.764 33.628 21.362 1.00 0.00 H ATOM 993 N LEU B 464 42.309 32.731 19.503 1.00 24.43 N ATOM 994 CA LEU B 464 43.155 32.114 18.468 1.00 24.90 C ATOM 995 C LEU B 464 43.362 33.076 17.289 1.00 24.09 C ATOM 996 O LEU B 464 44.428 33.128 16.730 1.00 24.84 O ATOM 997 CB LEU B 464 42.550 30.794 17.924 1.00 24.57 C ATOM 998 CG LEU B 464 43.196 29.433 18.262 1.00 25.27 C ATOM 999 CD1 LEU B 464 44.718 29.614 18.333 1.00 24.52 C ATOM 1000 CD2 LEU B 464 42.656 28.868 19.576 1.00 25.59 C ATOM 1001 H LEU B 464 41.324 32.415 19.610 1.00 0.00 H ATOM 1002 N ASP B 465 42.323 33.825 16.919 1.00 25.60 N ATOM 1003 CA ASP B 465 42.422 34.780 15.819 1.00 24.10 C ATOM 1004 C ASP B 465 43.553 35.740 16.089 1.00 23.69 C ATOM 1005 O ASP B 465 44.456 35.857 15.305 1.00 23.40 O ATOM 1006 CB ASP B 465 41.133 35.587 15.671 1.00 25.14 C ATOM 1007 CG ASP B 465 40.029 34.808 15.015 1.00 27.05 C ATOM 1008 OD1 ASP B 465 40.279 33.664 14.583 1.00 21.66 O ATOM 1009 OD2 ASP B 465 38.913 35.350 14.919 1.00 22.78 O ATOM 1010 H ASP B 465 41.420 33.727 17.426 1.00 0.00 H ATOM 1011 N VAL B 466 43.463 36.436 17.214 1.00 23.14 N ATOM 1012 CA VAL B 466 44.480 37.393 17.634 1.00 25.42 C ATOM 1013 C VAL B 466 45.864 36.723 17.719 1.00 24.77 C ATOM 1014 O VAL B 466 46.838 37.247 17.194 1.00 22.42 O ATOM 1015 CB VAL B 466 44.124 38.013 19.023 1.00 24.70 C ATOM 1016 CG1 VAL B 466 45.283 38.875 19.510 1.00 24.56 C ATOM 1017 CG2 VAL B 466 42.815 38.828 18.935 1.00 23.80 C ATOM 1018 H VAL B 466 42.632 36.293 17.823 1.00 0.00 H ATOM 1019 N CYS B 467 45.943 35.572 18.386 1.00 24.14 N ATOM 1020 CA CYS B 467 47.214 34.864 18.529 1.00 24.46 C ATOM 1021 C CYS B 467 47.885 34.536 17.192 1.00 24.15 C ATOM 1022 O CYS B 467 49.106 34.576 17.081 1.00 24.65 O ATOM 1023 CB CYS B 467 47.011 33.584 19.334 1.00 23.97 C ATOM 1024 SG CYS B 467 48.568 32.824 19.805 1.00 23.99 S ATOM 1025 H CYS B 467 45.084 35.170 18.813 1.00 0.00 H ATOM 1026 N GLU B 468 47.089 34.195 16.182 1.00 22.66 N ATOM 1027 CA GLU B 468 47.642 33.875 14.859 1.00 25.53 C ATOM 1028 C GLU B 468 48.218 35.152 14.270 1.00 24.53 C ATOM 1029 O GLU B 468 49.281 35.146 13.654 1.00 24.15 O ATOM 1030 CB GLU B 468 46.566 33.324 13.920 1.00 24.49 C ATOM 1031 CG GLU B 468 45.820 32.145 14.479 1.00 24.90 C ATOM 1032 CD GLU B 468 44.768 31.627 13.528 1.00 25.52 C ATOM 1033 OE1 GLU B 468 44.382 32.376 12.595 1.00 25.19 O ATOM 1034 OE2 GLU B 468 44.329 30.476 13.722 1.00 23.08 O ATOM 1035 H GLU B 468 46.061 34.154 16.331 1.00 0.00 H ATOM 1036 N GLY B 469 47.488 36.242 14.481 1.00 24.10 N ATOM 1037 CA GLY B 469 47.907 37.538 14.001 1.00 24.69 C ATOM 1038 C GLY B 469 49.214 37.961 14.642 1.00 23.92 C ATOM 1039 O GLY B 469 50.089 38.532 13.983 1.00 25.73 O ATOM 1040 H GLY B 469 46.593 36.160 15.005 1.00 0.00 H ATOM 1041 N MET B 470 49.358 37.665 15.930 1.00 23.19 N ATOM 1042 CA MET B 470 50.558 38.024 16.673 1.00 26.06 C ATOM 1043 C MET B 470 51.762 37.153 16.350 1.00 24.60 C ATOM 1044 O MET B 470 52.882 37.641 16.258 1.00 24.64 O ATOM 1045 CB MET B 470 50.258 37.981 18.172 1.00 24.49 C ATOM 1046 CG MET B 470 49.274 39.052 18.600 1.00 24.15 C ATOM 1047 SD MET B 470 49.944 40.686 18.206 1.00 25.52 S ATOM 1048 CE MET B 470 49.228 40.944 16.622 1.00 27.26 C ATOM 1049 H MET B 470 48.591 37.162 16.421 1.00 0.00 H ATOM 1050 N ALA B 471 51.519 35.857 16.193 1.00 23.58 N ATOM 1051 CA ALA B 471 52.562 34.895 15.869 1.00 24.04 C ATOM 1052 C ALA B 471 53.150 35.270 14.514 1.00 26.35 C ATOM 1053 O ALA B 471 54.269 34.926 14.212 1.00 24.78 O ATOM 1054 CB ALA B 471 51.973 33.498 15.796 1.00 24.31 C ATOM 1055 H ALA B 471 50.543 35.515 16.306 1.00 0.00 H ATOM 1056 N TYR B 472 52.367 35.986 13.706 1.00 24.12 N ATOM 1057 CA TYR B 472 52.783 36.433 12.365 1.00 25.42 C ATOM 1058 C TYR B 472 53.683 37.651 12.456 1.00 24.28 C ATOM 1059 O TYR B 472 54.693 37.739 11.782 1.00 25.64 O ATOM 1060 CB TYR B 472 51.555 36.796 11.522 1.00 24.52 C ATOM 1061 CG TYR B 472 51.890 37.446 10.213 1.00 24.39 C ATOM 1062 CD1 TYR B 472 52.330 36.692 9.130 1.00 25.27 C ATOM 1063 CD2 TYR B 472 51.789 38.817 10.058 1.00 25.22 C ATOM 1064 CE1 TYR B 472 52.662 37.295 7.908 1.00 26.24 C ATOM 1065 CE2 TYR B 472 52.123 39.434 8.839 1.00 24.66 C ATOM 1066 CZ TYR B 472 52.554 38.661 7.769 1.00 25.01 C ATOM 1067 OH TYR B 472 52.851 39.249 6.556 1.00 24.82 O ATOM 1068 HH TYR B 472 53.140 38.552 5.915 1.00 0.00 H ATOM 1069 H TYR B 472 51.415 36.242 14.039 1.00 0.00 H ATOM 1070 N LEU B 473 53.272 38.603 13.291 1.00 25.16 N ATOM 1071 CA LEU B 473 54.045 39.819 13.492 1.00 25.04 C ATOM 1072 C LEU B 473 55.345 39.457 14.192 1.00 24.20 C ATOM 1073 O LEU B 473 56.358 40.079 13.967 1.00 22.26 O ATOM 1074 CB LEU B 473 53.253 40.814 14.344 1.00 24.92 C ATOM 1075 CG LEU B 473 51.976 41.422 13.761 1.00 24.99 C ATOM 1076 CD1 LEU B 473 51.406 42.381 14.782 1.00 24.61 C ATOM 1077 CD2 LEU B 473 52.262 42.159 12.456 1.00 24.61 C ATOM 1078 H LEU B 473 52.380 38.475 13.810 1.00 0.00 H ATOM 1079 N GLU B 474 55.271 38.425 15.036 1.00 22.76 N ATOM 1080 CA GLU B 474 56.405 37.924 15.816 1.00 24.87 C ATOM 1081 C GLU B 474 57.519 37.448 14.896 1.00 25.63 C ATOM 1082 O GLU B 474 58.674 37.853 15.040 1.00 25.85 O ATOM 1083 CB GLU B 474 55.943 36.780 16.710 1.00 24.77 C ATOM 1084 CG GLU B 474 56.957 36.341 17.691 1.00 24.67 C ATOM 1085 CD GLU B 474 56.449 35.208 18.553 1.00 26.09 C ATOM 1086 OE1 GLU B 474 56.124 34.138 17.996 1.00 24.10 O ATOM 1087 OE2 GLU B 474 56.363 35.393 19.785 1.00 30.46 O ATOM 1088 H GLU B 474 54.353 37.948 15.146 1.00 0.00 H ATOM 1089 N GLU B 475 57.155 36.564 13.970 1.00 26.21 N ATOM 1090 CA GLU B 475 58.078 36.021 12.983 1.00 26.22 C ATOM 1091 C GLU B 475 58.679 37.145 12.144 1.00 25.23 C ATOM 1092 O GLU B 475 59.864 37.122 11.802 1.00 29.28 O ATOM 1093 CB GLU B 475 57.349 35.075 12.040 1.00 28.52 C ATOM 1094 CG GLU B 475 58.129 34.803 10.791 1.00 30.34 C ATOM 1095 CD GLU B 475 57.417 33.878 9.847 1.00 33.23 C ATOM 1096 OE1 GLU B 475 57.076 32.754 10.278 1.00 32.32 O ATOM 1097 OE2 GLU B 475 57.200 34.276 8.675 1.00 36.52 O ATOM 1098 H GLU B 475 56.165 36.246 13.950 1.00 0.00 H ATOM 1099 N ALA B 476 57.851 38.121 11.789 1.00 24.29 N ATOM 1100 CA ALA B 476 58.313 39.234 10.970 1.00 26.63 C ATOM 1101 C ALA B 476 59.065 40.270 11.814 1.00 24.26 C ATOM 1102 O ALA B 476 59.496 41.309 11.305 1.00 24.38 O ATOM 1103 CB ALA B 476 57.138 39.881 10.279 1.00 24.04 C ATOM 1104 H ALA B 476 56.859 38.090 12.100 1.00 0.00 H ATOM 1105 N CYS B 477 59.215 39.978 13.103 1.00 25.78 N ATOM 1106 CA CYS B 477 59.894 40.881 14.032 1.00 25.96 C ATOM 1107 C CYS B 477 59.240 42.263 14.077 1.00 25.57 C ATOM 1108 O CYS B 477 59.903 43.281 14.011 1.00 24.53 O ATOM 1109 CB CYS B 477 61.383 40.995 13.678 1.00 25.90 C ATOM 1110 SG CYS B 477 62.274 39.427 13.838 1.00 25.47 S ATOM 1111 H CYS B 477 58.837 39.078 13.462 1.00 0.00 H ATOM 1112 N VAL B 478 57.918 42.262 14.178 1.00 23.72 N ATOM 1113 CA VAL B 478 57.137 43.483 14.279 1.00 24.97 C ATOM 1114 C VAL B 478 56.440 43.395 15.637 1.00 25.13 C ATOM 1115 O VAL B 478 55.623 42.502 15.864 1.00 25.26 O ATOM 1116 CB VAL B 478 56.059 43.557 13.151 1.00 23.61 C ATOM 1117 CG1 VAL B 478 55.123 44.733 13.383 1.00 24.63 C ATOM 1118 CG2 VAL B 478 56.720 43.719 11.804 1.00 24.49 C ATOM 1119 H VAL B 478 57.419 41.349 14.185 1.00 0.00 H ATOM 1120 N ILE B 479 56.797 44.278 16.563 1.00 25.92 N ATOM 1121 CA ILE B 479 56.124 44.264 17.856 1.00 26.08 C ATOM 1122 C ILE B 479 55.013 45.318 17.804 1.00 24.84 C ATOM 1123 O ILE B 479 55.157 46.387 17.206 1.00 24.66 O ATOM 1124 CB ILE B 479 57.101 44.514 19.048 1.00 24.67 C ATOM 1125 CG1 ILE B 479 57.134 45.985 19.429 1.00 26.01 C ATOM 1126 CG2 ILE B 479 58.513 44.075 18.679 1.00 25.57 C ATOM 1127 CD1 ILE B 479 57.946 46.245 20.642 1.00 26.85 C ATOM 1128 H ILE B 479 57.548 44.971 16.368 1.00 0.00 H ATOM 1129 N HIS B 480 53.891 44.975 18.415 1.00 23.42 N ATOM 1130 CA HIS B 480 52.721 45.835 18.433 1.00 25.46 C ATOM 1131 C HIS B 480 52.883 46.999 19.416 1.00 25.13 C ATOM 1132 O HIS B 480 52.602 48.140 19.085 1.00 27.62 O ATOM 1133 CB HIS B 480 51.505 44.969 18.776 1.00 25.27 C ATOM 1134 CG HIS B 480 50.186 45.596 18.449 1.00 26.05 C ATOM 1135 ND1 HIS B 480 49.756 46.774 19.024 1.00 25.68 N ATOM 1136 CD2 HIS B 480 49.178 45.174 17.650 1.00 25.25 C ATOM 1137 CE1 HIS B 480 48.535 47.046 18.596 1.00 25.07 C ATOM 1138 NE2 HIS B 480 48.162 46.091 17.764 1.00 25.07 N ATOM 1139 H HIS B 480 53.845 44.056 18.900 1.00 0.00 H ATOM 1140 N ARG B 481 53.347 46.697 20.622 1.00 24.97 N ATOM 1141 CA ARG B 481 53.544 47.700 21.666 1.00 25.16 C ATOM 1142 C ARG B 481 52.252 48.187 22.335 1.00 25.48 C ATOM 1143 O ARG B 481 52.296 48.959 23.290 1.00 23.69 O ATOM 1144 CB ARG B 481 54.312 48.917 21.134 1.00 25.61 C ATOM 1145 CG ARG B 481 55.786 48.678 20.866 1.00 24.54 C ATOM 1146 CD ARG B 481 56.458 49.935 20.364 1.00 25.81 C ATOM 1147 NE ARG B 481 57.877 49.734 20.101 1.00 28.36 N ATOM 1148 CZ ARG B 481 58.812 50.642 20.359 1.00 26.81 C ATOM 1149 NH1 ARG B 481 58.473 51.809 20.889 1.00 26.97 N ATOM 1150 NH2 ARG B 481 60.090 50.388 20.085 1.00 26.74 N ATOM 1151 HE ARG B 481 58.175 48.828 19.687 1.00 0.00 H ATOM 1152 HH12 ARG B 481 59.204 52.520 21.091 1.00 0.00 H ATOM 1153 HH11 ARG B 481 57.476 52.013 21.102 1.00 0.00 H ATOM 1154 HH22 ARG B 481 60.818 51.103 20.289 1.00 0.00 H ATOM 1155 HH21 ARG B 481 60.361 49.475 19.667 1.00 0.00 H ATOM 1156 H ARG B 481 53.580 45.706 20.833 1.00 0.00 H ATOM 1157 N ASP B 482 51.105 47.755 21.826 1.00 25.84 N ATOM 1158 CA ASP B 482 49.843 48.182 22.418 1.00 27.01 C ATOM 1159 C ASP B 482 48.692 47.244 22.089 1.00 25.91 C ATOM 1160 O ASP B 482 47.606 47.683 21.780 1.00 23.58 O ATOM 1161 CB ASP B 482 49.494 49.616 21.970 1.00 26.47 C ATOM 1162 CG ASP B 482 48.349 50.216 22.775 1.00 24.31 C ATOM 1163 OD1 ASP B 482 48.381 50.090 24.028 1.00 25.80 O ATOM 1164 OD2 ASP B 482 47.427 50.818 22.166 1.00 27.92 O ATOM 1165 H ASP B 482 51.106 47.114 21.007 1.00 0.00 H ATOM 1166 N LEU B 483 48.958 45.949 22.155 1.00 24.58 N ATOM 1167 CA LEU B 483 47.931 44.963 21.905 1.00 25.70 C ATOM 1168 C LEU B 483 46.958 45.005 23.081 1.00 25.29 C ATOM 1169 O LEU B 483 47.358 44.925 24.231 1.00 24.25 O ATOM 1170 CB LEU B 483 48.553 43.570 21.779 1.00 24.33 C ATOM 1171 CG LEU B 483 47.557 42.443 21.504 1.00 25.44 C ATOM 1172 CD1 LEU B 483 46.805 42.698 20.214 1.00 24.17 C ATOM 1173 CD2 LEU B 483 48.301 41.116 21.444 1.00 25.02 C ATOM 1174 H LEU B 483 49.921 45.636 22.391 1.00 0.00 H ATOM 1175 N ALA B 484 45.673 45.137 22.772 1.00 22.50 N ATOM 1176 CA ALA B 484 44.621 45.211 23.780 1.00 24.99 C ATOM 1177 C ALA B 484 43.294 44.974 23.049 1.00 24.59 C ATOM 1178 O ALA B 484 43.193 45.245 21.868 1.00 25.15 O ATOM 1179 CB ALA B 484 44.632 46.588 24.428 1.00 24.90 C ATOM 1180 H ALA B 484 45.405 45.190 21.768 1.00 0.00 H ATOM 1181 N ALA B 485 42.286 44.462 23.751 1.00 24.59 N ATOM 1182 CA ALA B 485 40.975 44.184 23.156 1.00 24.77 C ATOM 1183 C ALA B 485 40.381 45.332 22.350 1.00 26.83 C ATOM 1184 O ALA B 485 39.662 45.091 21.412 1.00 25.83 O ATOM 1185 CB ALA B 485 39.987 43.757 24.252 1.00 25.13 C ATOM 1186 H ALA B 485 42.434 44.251 24.759 1.00 0.00 H ATOM 1187 N ARG B 486 40.658 46.573 22.743 1.00 24.24 N ATOM 1188 CA ARG B 486 40.106 47.722 22.023 1.00 26.96 C ATOM 1189 C ARG B 486 40.811 47.914 20.693 1.00 24.33 C ATOM 1190 O ARG B 486 40.300 48.561 19.825 1.00 23.89 O ATOM 1191 CB ARG B 486 40.233 49.018 22.836 1.00 27.93 C ATOM 1192 CG ARG B 486 41.652 49.322 23.225 1.00 27.38 C ATOM 1193 CD ARG B 486 41.785 50.593 24.005 1.00 28.57 C ATOM 1194 NE ARG B 486 43.184 50.825 24.356 1.00 32.81 N ATOM 1195 CZ ARG B 486 43.851 50.093 25.243 1.00 31.57 C ATOM 1196 NH1 ARG B 486 43.248 49.092 25.866 1.00 33.80 N ATOM 1197 NH2 ARG B 486 45.120 50.354 25.502 1.00 33.71 N ATOM 1198 HE ARG B 486 43.686 51.606 23.886 1.00 0.00 H ATOM 1199 HH12 ARG B 486 43.771 48.520 26.560 1.00 0.00 H ATOM 1200 HH11 ARG B 486 42.251 48.877 25.662 1.00 0.00 H ATOM 1201 HH22 ARG B 486 45.638 49.779 26.197 1.00 0.00 H ATOM 1202 HH21 ARG B 486 45.601 51.135 25.011 1.00 0.00 H ATOM 1203 H ARG B 486 41.272 46.728 23.568 1.00 0.00 H ATOM 1204 N ASN B 487 41.994 47.314 20.566 1.00 23.63 N ATOM 1205 CA ASN B 487 42.790 47.424 19.339 1.00 25.63 C ATOM 1206 C ASN B 487 42.650 46.239 18.375 1.00 24.13 C ATOM 1207 O ASN B 487 43.438 46.069 17.442 1.00 24.16 O ATOM 1208 CB ASN B 487 44.254 47.633 19.697 1.00 23.68 C ATOM 1209 CG ASN B 487 44.508 49.006 20.243 1.00 25.54 C ATOM 1210 OD1 ASN B 487 43.789 49.954 19.891 1.00 23.64 O ATOM 1211 ND2 ASN B 487 45.529 49.144 21.093 1.00 25.37 N ATOM 1212 HD22 ASN B 487 46.102 48.317 21.356 1.00 0.00 H ATOM 1213 HD21 ASN B 487 45.751 50.079 21.491 1.00 0.00 H ATOM 1214 H ASN B 487 42.363 46.752 21.359 1.00 0.00 H ATOM 1215 N CYS B 488 41.638 45.421 18.620 1.00 22.89 N ATOM 1216 CA CYS B 488 41.357 44.287 17.765 1.00 25.66 C ATOM 1217 C CYS B 488 39.969 44.583 17.197 1.00 25.03 C ATOM 1218 O CYS B 488 39.180 45.323 17.802 1.00 22.51 O ATOM 1219 CB CYS B 488 41.378 43.002 18.582 1.00 24.50 C ATOM 1220 SG CYS B 488 42.994 42.669 19.313 1.00 25.52 S ATOM 1221 H CYS B 488 41.031 45.597 19.446 1.00 0.00 H ATOM 1222 N LEU B 489 39.693 44.053 16.013 1.00 24.89 N ATOM 1223 CA LEU B 489 38.424 44.315 15.361 1.00 23.67 C ATOM 1224 C LEU B 489 37.621 43.048 15.154 1.00 24.77 C ATOM 1225 O LEU B 489 38.174 41.961 14.983 1.00 26.62 O ATOM 1226 CB LEU B 489 38.678 45.032 14.032 1.00 22.53 C ATOM 1227 CG LEU B 489 39.500 46.329 14.179 1.00 25.44 C ATOM 1228 CD1 LEU B 489 39.748 46.937 12.813 1.00 26.58 C ATOM 1229 CD2 LEU B 489 38.761 47.330 15.059 1.00 25.01 C ATOM 1230 H LEU B 489 40.394 43.443 15.547 1.00 0.00 H ATOM 1231 N VAL B 490 36.305 43.203 15.178 1.00 22.24 N ATOM 1232 CA VAL B 490 35.402 42.081 15.005 1.00 23.86 C ATOM 1233 C VAL B 490 34.693 42.190 13.664 1.00 24.45 C ATOM 1234 O VAL B 490 34.074 43.185 13.367 1.00 25.24 O ATOM 1235 CB VAL B 490 34.353 42.020 16.165 1.00 25.27 C ATOM 1236 CG1 VAL B 490 33.449 40.800 16.002 1.00 23.68 C ATOM 1237 CG2 VAL B 490 35.076 41.974 17.509 1.00 24.47 C ATOM 1238 H VAL B 490 35.909 44.154 15.325 1.00 0.00 H ATOM 1239 N GLY B 491 34.800 41.146 12.856 1.00 24.56 N ATOM 1240 CA GLY B 491 34.161 41.189 11.564 1.00 26.00 C ATOM 1241 C GLY B 491 32.750 40.646 11.413 1.00 27.63 C ATOM 1242 O GLY B 491 32.162 40.011 12.321 1.00 27.03 O ATOM 1243 H GLY B 491 35.338 40.306 13.150 1.00 0.00 H ATOM 1244 N GLU B 492 32.231 40.922 10.214 1.00 30.73 N ATOM 1245 CA GLU B 492 30.917 40.521 9.710 1.00 31.68 C ATOM 1246 C GLU B 492 30.980 38.988 9.625 1.00 31.93 C ATOM 1247 O GLU B 492 30.360 38.346 8.746 1.00 33.71 O ATOM 1248 CB GLU B 492 30.740 41.121 8.304 1.00 33.28 C ATOM 1249 CG GLU B 492 29.387 40.870 7.531 1.00 32.69 C ATOM 1250 CD GLU B 492 28.118 41.402 8.201 1.00 33.02 C ATOM 1251 OE1 GLU B 492 27.163 41.716 7.456 1.00 32.86 O ATOM 1252 OE2 GLU B 492 28.068 41.503 9.453 1.00 32.26 O ATOM 1253 H GLU B 492 32.824 41.482 9.569 1.00 0.00 H ATOM 1254 N ASN B 493 31.738 38.403 10.546 1.00 34.08 N ATOM 1255 CA ASN B 493 31.926 36.963 10.601 1.00 32.09 C ATOM 1256 C ASN B 493 32.244 36.540 12.029 1.00 32.27 C ATOM 1257 O ASN B 493 32.395 35.353 12.326 1.00 31.76 O ATOM 1258 CB ASN B 493 33.068 36.585 9.654 1.00 35.07 C ATOM 1259 CG ASN B 493 33.304 35.104 9.593 1.00 36.74 C ATOM 1260 OD1 ASN B 493 32.472 34.329 10.020 1.00 41.40 O ATOM 1261 ND2 ASN B 493 34.449 34.702 9.039 1.00 36.55 N ATOM 1262 HD22 ASN B 493 35.131 35.404 8.687 1.00 0.00 H ATOM 1263 HD21 ASN B 493 34.660 33.687 8.959 1.00 0.00 H ATOM 1264 H ASN B 493 32.214 38.998 11.254 1.00 0.00 H ATOM 1265 N GLN B 494 32.328 37.529 12.919 1.00 29.93 N ATOM 1266 CA GLN B 494 32.633 37.246 14.315 1.00 29.16 C ATOM 1267 C GLN B 494 34.099 36.794 14.386 1.00 28.72 C ATOM 1268 O GLN B 494 34.513 36.136 15.313 1.00 23.00 O ATOM 1269 CB GLN B 494 31.684 36.149 14.789 1.00 30.62 C ATOM 1270 CG GLN B 494 30.209 36.476 14.394 1.00 30.69 C ATOM 1271 CD GLN B 494 29.219 35.407 14.824 1.00 31.08 C ATOM 1272 OE1 GLN B 494 27.997 35.641 14.831 1.00 27.11 O ATOM 1273 NE2 GLN B 494 29.731 34.219 15.170 1.00 30.64 N ATOM 1274 HE22 GLN B 494 30.760 34.070 15.149 1.00 0.00 H ATOM 1275 HE21 GLN B 494 29.100 33.445 15.460 1.00 0.00 H ATOM 1276 H GLN B 494 32.174 38.511 12.614 1.00 0.00 H ATOM 1277 N VAL B 495 34.850 37.154 13.344 1.00 25.02 N ATOM 1278 CA VAL B 495 36.275 36.861 13.201 1.00 26.28 C ATOM 1279 C VAL B 495 37.092 38.043 13.724 1.00 25.09 C ATOM 1280 O VAL B 495 36.853 39.199 13.354 1.00 24.97 O ATOM 1281 CB VAL B 495 36.665 36.619 11.734 1.00 24.60 C ATOM 1282 CG1 VAL B 495 38.194 36.665 11.595 1.00 27.94 C ATOM 1283 CG2 VAL B 495 36.150 35.258 11.275 1.00 26.85 C ATOM 1284 H VAL B 495 34.388 37.682 12.577 1.00 0.00 H ATOM 1285 N ILE B 496 38.076 37.739 14.567 1.00 25.12 N ATOM 1286 CA ILE B 496 38.907 38.772 15.169 1.00 25.76 C ATOM 1287 C ILE B 496 40.165 39.073 14.355 1.00 24.66 C ATOM 1288 O ILE B 496 40.846 38.166 13.875 1.00 26.64 O ATOM 1289 CB ILE B 496 39.355 38.387 16.606 1.00 25.91 C ATOM 1290 CG1 ILE B 496 38.174 37.818 17.391 1.00 24.75 C ATOM 1291 CG2 ILE B 496 39.927 39.603 17.329 1.00 25.35 C ATOM 1292 CD1 ILE B 496 36.989 38.732 17.469 1.00 24.30 C ATOM 1293 H ILE B 496 38.255 36.742 14.801 1.00 0.00 H ATOM 1294 N LYS B 497 40.449 40.365 14.215 1.00 25.31 N ATOM 1295 CA LYS B 497 41.629 40.829 13.512 1.00 25.69 C ATOM 1296 C LYS B 497 42.372 41.861 14.365 1.00 25.74 C ATOM 1297 O LYS B 497 41.758 42.639 15.085 1.00 25.96 O ATOM 1298 CB LYS B 497 41.269 41.485 12.162 1.00 24.00 C ATOM 1299 CG LYS B 497 41.027 40.497 10.961 1.00 22.12 C ATOM 1300 CD LYS B 497 40.686 41.267 9.693 1.00 24.51 C ATOM 1301 CE LYS B 497 40.446 40.295 8.514 1.00 24.86 C ATOM 1302 NZ LYS B 497 40.108 40.986 7.219 1.00 25.17 N ATOM 1303 HZ1 LYS B 497 39.240 41.545 7.342 1.00 0.00 H ATOM 1304 HZ2 LYS B 497 40.891 41.615 6.948 1.00 0.00 H ATOM 1305 HZ3 LYS B 497 39.961 40.274 6.476 1.00 0.00 H ATOM 1306 H LYS B 497 39.801 41.068 14.625 1.00 0.00 H ATOM 1307 N VAL B 498 43.699 41.837 14.303 1.00 23.25 N ATOM 1308 CA VAL B 498 44.519 42.778 15.038 1.00 26.17 C ATOM 1309 C VAL B 498 44.661 44.042 14.181 1.00 25.82 C ATOM 1310 O VAL B 498 44.872 43.966 12.958 1.00 25.89 O ATOM 1311 CB VAL B 498 45.932 42.183 15.302 1.00 24.67 C ATOM 1312 CG1 VAL B 498 46.838 43.235 15.939 1.00 25.99 C ATOM 1313 CG2 VAL B 498 45.824 40.945 16.192 1.00 24.71 C ATOM 1314 H VAL B 498 44.163 41.121 13.709 1.00 0.00 H ATOM 1315 N SER B 499 44.523 45.203 14.818 1.00 27.72 N ATOM 1316 CA SER B 499 44.662 46.489 14.123 1.00 30.57 C ATOM 1317 C SER B 499 45.572 47.395 14.947 1.00 32.31 C ATOM 1318 O SER B 499 46.075 46.976 15.990 1.00 31.01 O ATOM 1319 CB SER B 499 43.290 47.149 13.907 1.00 30.32 C ATOM 1320 OG SER B 499 43.142 48.371 14.606 1.00 30.84 O ATOM 1321 HG SER B 499 42.243 48.745 14.428 1.00 0.00 H ATOM 1322 H SER B 499 44.311 45.199 15.836 1.00 0.00 H ATOM 1323 N ASP B 500 45.801 48.619 14.473 1.00 32.81 N ATOM 1324 CA ASP B 500 46.660 49.566 15.190 1.00 37.31 C ATOM 1325 C ASP B 500 48.066 49.028 15.414 1.00 36.84 C ATOM 1326 O ASP B 500 48.620 49.213 16.465 1.00 31.47 O ATOM 1327 CB ASP B 500 46.044 49.904 16.556 1.00 38.28 C ATOM 1328 CG ASP B 500 45.188 51.171 16.529 1.00 41.25 C ATOM 1329 OD1 ASP B 500 45.742 52.263 16.269 1.00 43.83 O ATOM 1330 OD2 ASP B 500 43.962 51.078 16.782 1.00 43.09 O ATOM 1331 H ASP B 500 45.361 48.908 13.576 1.00 0.00 H ATOM 1332 N PHE B 501 48.653 48.383 14.415 1.00 39.68 N ATOM 1333 CA PHE B 501 49.989 47.814 14.593 1.00 41.02 C ATOM 1334 C PHE B 501 51.040 48.361 13.635 1.00 40.93 C ATOM 1335 O PHE B 501 52.192 47.914 13.663 1.00 38.64 O ATOM 1336 CB PHE B 501 49.921 46.296 14.442 1.00 41.60 C ATOM 1337 CG PHE B 501 49.437 45.856 13.103 1.00 42.43 C ATOM 1338 CD1 PHE B 501 50.344 45.574 12.086 1.00 43.43 C ATOM 1339 CD2 PHE B 501 48.066 45.757 12.831 1.00 42.19 C ATOM 1340 CE1 PHE B 501 49.894 45.194 10.800 1.00 43.56 C ATOM 1341 CE2 PHE B 501 47.606 45.382 11.559 1.00 42.57 C ATOM 1342 CZ PHE B 501 48.522 45.100 10.543 1.00 43.12 C ATOM 1343 H PHE B 501 48.163 48.281 13.503 1.00 0.00 H TER 1344 PHE B 501 ATOM 1345 N PRO B 521 49.065 53.150 28.928 1.00 42.27 N ATOM 1346 CA PRO B 521 48.321 51.891 29.027 1.00 42.54 C ATOM 1347 C PRO B 521 49.036 50.859 29.896 1.00 39.59 C ATOM 1348 O PRO B 521 49.260 49.733 29.467 1.00 42.68 O ATOM 1349 CB PRO B 521 48.223 51.449 27.577 1.00 42.48 C ATOM 1350 CG PRO B 521 49.554 51.852 27.044 1.00 42.78 C ATOM 1351 CD PRO B 521 49.735 53.252 27.620 1.00 43.13 C ATOM 1352 HN2 PRO B 521 49.780 53.186 29.683 1.00 0.00 H ATOM 1353 HN1 PRO B 521 48.406 53.947 29.038 1.00 0.00 H ATOM 1354 N VAL B 522 49.377 51.261 31.121 1.00 38.84 N ATOM 1355 CA VAL B 522 50.084 50.399 32.078 1.00 35.14 C ATOM 1356 C VAL B 522 49.410 49.050 32.367 1.00 33.74 C ATOM 1357 O VAL B 522 50.068 48.101 32.777 1.00 33.31 O ATOM 1358 CB VAL B 522 50.289 51.121 33.434 1.00 36.52 C ATOM 1359 CG1 VAL B 522 51.088 50.238 34.392 1.00 36.08 C ATOM 1360 CG2 VAL B 522 50.988 52.448 33.210 1.00 36.81 C ATOM 1361 H VAL B 522 49.131 52.229 31.412 1.00 0.00 H ATOM 1362 N LYS B 523 48.100 48.968 32.155 1.00 30.43 N ATOM 1363 CA LYS B 523 47.381 47.728 32.417 1.00 29.36 C ATOM 1364 C LYS B 523 47.653 46.621 31.401 1.00 26.59 C ATOM 1365 O LYS B 523 47.258 45.469 31.598 1.00 24.13 O ATOM 1366 CB LYS B 523 45.880 47.998 32.509 1.00 27.30 C ATOM 1367 CG LYS B 523 45.518 48.850 33.691 1.00 27.75 C ATOM 1368 CD LYS B 523 44.022 49.102 33.758 1.00 28.05 C ATOM 1369 CE LYS B 523 43.665 49.978 34.981 1.00 27.84 C ATOM 1370 NZ LYS B 523 42.188 50.227 35.043 1.00 26.82 N ATOM 1371 HZ1 LYS B 523 41.884 50.717 34.178 1.00 0.00 H ATOM 1372 HZ2 LYS B 523 41.688 49.319 35.122 1.00 0.00 H ATOM 1373 HZ3 LYS B 523 41.972 50.817 35.872 1.00 0.00 H ATOM 1374 H LYS B 523 47.583 49.797 31.799 1.00 0.00 H ATOM 1375 N TRP B 524 48.333 46.974 30.318 1.00 25.99 N ATOM 1376 CA TRP B 524 48.668 46.005 29.291 1.00 25.95 C ATOM 1377 C TRP B 524 50.167 45.900 29.107 1.00 24.58 C ATOM 1378 O TRP B 524 50.639 45.165 28.263 1.00 23.51 O ATOM 1379 CB TRP B 524 48.005 46.379 27.968 1.00 24.62 C ATOM 1380 CG TRP B 524 46.542 46.086 27.970 1.00 25.01 C ATOM 1381 CD1 TRP B 524 45.934 44.909 27.635 1.00 24.68 C ATOM 1382 CD2 TRP B 524 45.499 46.983 28.356 1.00 25.31 C ATOM 1383 NE1 TRP B 524 44.572 45.021 27.786 1.00 24.76 N ATOM 1384 CE2 TRP B 524 44.276 46.285 28.228 1.00 24.35 C ATOM 1385 CE3 TRP B 524 45.478 48.310 28.799 1.00 25.04 C ATOM 1386 CZ2 TRP B 524 43.035 46.875 28.528 1.00 25.16 C ATOM 1387 CZ3 TRP B 524 44.240 48.900 29.102 1.00 25.66 C ATOM 1388 CH2 TRP B 524 43.038 48.177 28.963 1.00 25.55 C ATOM 1389 HE1 TRP B 524 43.879 44.269 27.596 1.00 0.00 H ATOM 1390 H TRP B 524 48.632 47.964 30.203 1.00 0.00 H ATOM 1391 N ALA B 525 50.916 46.640 29.914 1.00 24.67 N ATOM 1392 CA ALA B 525 52.362 46.618 29.838 1.00 24.48 C ATOM 1393 C ALA B 525 52.988 45.551 30.756 1.00 24.61 C ATOM 1394 O ALA B 525 52.537 45.321 31.882 1.00 22.48 O ATOM 1395 CB ALA B 525 52.907 47.990 30.180 1.00 25.81 C ATOM 1396 H ALA B 525 50.454 47.250 30.618 1.00 0.00 H ATOM 1397 N SER B 526 54.009 44.872 30.240 1.00 24.67 N ATOM 1398 CA SER B 526 54.714 43.865 31.006 1.00 25.13 C ATOM 1399 C SER B 526 55.630 44.651 31.942 1.00 25.23 C ATOM 1400 O SER B 526 55.836 45.846 31.730 1.00 23.18 O ATOM 1401 CB SER B 526 55.529 42.979 30.065 1.00 23.87 C ATOM 1402 OG SER B 526 56.330 43.772 29.205 1.00 25.37 O ATOM 1403 HG SER B 526 56.850 43.182 28.604 1.00 0.00 H ATOM 1404 H SER B 526 54.308 45.069 29.264 1.00 0.00 H ATOM 1405 N PRO B 527 56.193 44.001 32.976 1.00 23.81 N ATOM 1406 CA PRO B 527 57.079 44.702 33.907 1.00 26.04 C ATOM 1407 C PRO B 527 58.284 45.407 33.285 1.00 23.77 C ATOM 1408 O PRO B 527 58.602 46.529 33.668 1.00 24.81 O ATOM 1409 CB PRO B 527 57.497 43.600 34.875 1.00 24.43 C ATOM 1410 CG PRO B 527 56.289 42.734 34.906 1.00 25.08 C ATOM 1411 CD PRO B 527 55.951 42.626 33.442 1.00 23.84 C ATOM 1412 N GLU B 528 58.958 44.754 32.337 1.00 25.05 N ATOM 1413 CA GLU B 528 60.123 45.383 31.735 1.00 24.11 C ATOM 1414 C GLU B 528 59.757 46.557 30.843 1.00 24.71 C ATOM 1415 O GLU B 528 60.623 47.286 30.392 1.00 25.08 O ATOM 1416 CB GLU B 528 61.036 44.388 30.986 1.00 23.75 C ATOM 1417 CG GLU B 528 60.530 43.667 29.693 1.00 25.46 C ATOM 1418 CD GLU B 528 59.315 42.777 29.871 1.00 24.87 C ATOM 1419 OE1 GLU B 528 58.709 42.434 28.831 1.00 24.28 O ATOM 1420 OE2 GLU B 528 58.991 42.383 31.016 1.00 23.48 O ATOM 1421 H GLU B 528 58.654 43.807 32.032 1.00 0.00 H ATOM 1422 N VAL B 529 58.456 46.751 30.630 1.00 23.64 N ATOM 1423 CA VAL B 529 57.961 47.875 29.845 1.00 26.19 C ATOM 1424 C VAL B 529 57.519 48.990 30.789 1.00 25.00 C ATOM 1425 O VAL B 529 57.695 50.160 30.468 1.00 22.67 O ATOM 1426 CB VAL B 529 56.764 47.492 28.961 1.00 24.87 C ATOM 1427 CG1 VAL B 529 56.196 48.735 28.289 1.00 24.26 C ATOM 1428 CG2 VAL B 529 57.196 46.491 27.901 1.00 23.70 C ATOM 1429 H VAL B 529 57.773 46.080 31.036 1.00 0.00 H ATOM 1430 N PHE B 530 56.955 48.628 31.946 1.00 24.72 N ATOM 1431 CA PHE B 530 56.521 49.624 32.943 1.00 25.27 C ATOM 1432 C PHE B 530 57.719 50.510 33.245 1.00 26.15 C ATOM 1433 O PHE B 530 57.694 51.711 33.095 1.00 25.50 O ATOM 1434 CB PHE B 530 56.260 49.045 34.338 1.00 26.81 C ATOM 1435 CG PHE B 530 55.146 48.066 34.461 1.00 24.60 C ATOM 1436 CD1 PHE B 530 55.157 47.163 35.530 1.00 26.37 C ATOM 1437 CD2 PHE B 530 54.074 48.056 33.588 1.00 26.43 C ATOM 1438 CE1 PHE B 530 54.137 46.263 35.734 1.00 25.46 C ATOM 1439 CE2 PHE B 530 53.023 47.143 33.783 1.00 25.74 C ATOM 1440 CZ PHE B 530 53.062 46.245 34.859 1.00 25.83 C ATOM 1441 H PHE B 530 56.819 47.617 32.148 1.00 0.00 H ATOM 1442 N SER B 531 58.749 49.824 33.729 1.00 22.95 N ATOM 1443 CA SER B 531 59.991 50.381 34.215 1.00 25.07 C ATOM 1444 C SER B 531 61.102 50.812 33.274 1.00 24.34 C ATOM 1445 O SER B 531 61.706 51.852 33.485 1.00 25.34 O ATOM 1446 CB SER B 531 60.578 49.390 35.220 1.00 25.84 C ATOM 1447 OG SER B 531 59.556 48.657 35.880 1.00 24.87 O ATOM 1448 HG SER B 531 59.029 48.153 35.211 1.00 0.00 H ATOM 1449 H SER B 531 58.652 48.789 33.761 1.00 0.00 H ATOM 1450 N PHE B 532 61.393 50.027 32.244 1.00 24.27 N ATOM 1451 CA PHE B 532 62.498 50.415 31.387 1.00 25.61 C ATOM 1452 C PHE B 532 62.190 50.595 29.911 1.00 26.24 C ATOM 1453 O PHE B 532 63.102 50.721 29.122 1.00 26.22 O ATOM 1454 CB PHE B 532 63.659 49.419 31.560 1.00 24.76 C ATOM 1455 CG PHE B 532 63.872 48.986 32.984 1.00 25.98 C ATOM 1456 CD1 PHE B 532 63.644 47.664 33.363 1.00 25.35 C ATOM 1457 CD2 PHE B 532 64.238 49.909 33.961 1.00 24.82 C ATOM 1458 CE1 PHE B 532 63.769 47.267 34.673 1.00 24.12 C ATOM 1459 CE2 PHE B 532 64.364 49.518 35.294 1.00 24.45 C ATOM 1460 CZ PHE B 532 64.128 48.197 35.647 1.00 25.65 C ATOM 1461 H PHE B 532 60.847 49.162 32.057 1.00 0.00 H ATOM 1462 N SER B 533 60.904 50.628 29.558 1.00 24.21 N ATOM 1463 CA SER B 533 60.458 50.798 28.164 1.00 26.01 C ATOM 1464 C SER B 533 61.134 49.839 27.214 1.00 24.21 C ATOM 1465 O SER B 533 61.416 50.189 26.081 1.00 25.27 O ATOM 1466 CB SER B 533 60.747 52.216 27.661 1.00 26.02 C ATOM 1467 OG SER B 533 59.846 53.165 28.186 1.00 24.99 O ATOM 1468 HG SER B 533 59.913 53.170 29.174 1.00 0.00 H ATOM 1469 H SER B 533 60.183 50.529 30.301 1.00 0.00 H ATOM 1470 N ARG B 534 61.403 48.633 27.693 1.00 26.19 N ATOM 1471 CA ARG B 534 62.062 47.623 26.887 1.00 26.08 C ATOM 1472 C ARG B 534 61.031 46.683 26.282 1.00 25.84 C ATOM 1473 O ARG B 534 60.626 45.692 26.890 1.00 24.90 O ATOM 1474 CB ARG B 534 63.093 46.886 27.749 1.00 26.76 C ATOM 1475 CG ARG B 534 64.035 45.952 26.982 1.00 26.22 C ATOM 1476 CD ARG B 534 65.022 45.307 27.969 1.00 26.61 C ATOM 1477 NE ARG B 534 65.819 46.336 28.648 1.00 27.64 N ATOM 1478 CZ ARG B 534 65.981 46.436 29.968 1.00 25.69 C ATOM 1479 NH1 ARG B 534 65.397 45.569 30.781 1.00 26.83 N ATOM 1480 NH2 ARG B 534 66.739 47.402 30.471 1.00 27.31 N ATOM 1481 HE ARG B 534 66.295 47.043 28.052 1.00 0.00 H ATOM 1482 HH12 ARG B 534 65.527 45.652 31.810 1.00 0.00 H ATOM 1483 HH11 ARG B 534 64.809 44.805 30.391 1.00 0.00 H ATOM 1484 HH22 ARG B 534 66.866 47.481 31.500 1.00 0.00 H ATOM 1485 HH21 ARG B 534 67.206 48.080 29.836 1.00 0.00 H ATOM 1486 H ARG B 534 61.135 48.405 28.672 1.00 0.00 H ATOM 1487 N TYR B 535 60.607 47.041 25.070 1.00 24.59 N ATOM 1488 CA TYR B 535 59.619 46.296 24.307 1.00 24.88 C ATOM 1489 C TYR B 535 60.218 45.123 23.550 1.00 25.62 C ATOM 1490 O TYR B 535 61.391 45.107 23.201 1.00 25.19 O ATOM 1491 CB TYR B 535 58.917 47.212 23.301 1.00 26.22 C ATOM 1492 CG TYR B 535 58.125 48.334 23.914 1.00 25.74 C ATOM 1493 CD1 TYR B 535 58.757 49.490 24.354 1.00 26.86 C ATOM 1494 CD2 TYR B 535 56.745 48.226 24.097 1.00 25.47 C ATOM 1495 CE1 TYR B 535 58.050 50.511 24.957 1.00 25.75 C ATOM 1496 CE2 TYR B 535 56.024 49.239 24.706 1.00 25.36 C ATOM 1497 CZ TYR B 535 56.689 50.375 25.128 1.00 25.02 C ATOM 1498 OH TYR B 535 55.987 51.404 25.712 1.00 24.37 O ATOM 1499 HH TYR B 535 55.535 51.072 26.528 1.00 0.00 H ATOM 1500 H TYR B 535 61.006 47.903 24.646 1.00 0.00 H ATOM 1501 N SER B 536 59.382 44.123 23.318 1.00 25.88 N ATOM 1502 CA SER B 536 59.772 42.928 22.579 1.00 25.41 C ATOM 1503 C SER B 536 58.483 42.182 22.268 1.00 23.48 C ATOM 1504 O SER B 536 57.423 42.619 22.693 1.00 23.18 O ATOM 1505 CB SER B 536 60.750 42.051 23.393 1.00 25.02 C ATOM 1506 OG SER B 536 60.171 41.454 24.541 1.00 23.24 O ATOM 1507 HG SER B 536 60.854 40.911 25.009 1.00 0.00 H ATOM 1508 H SER B 536 58.408 44.193 23.677 1.00 0.00 H ATOM 1509 N SER B 537 58.561 41.099 21.499 1.00 25.54 N ATOM 1510 CA SER B 537 57.375 40.309 21.192 1.00 26.23 C ATOM 1511 C SER B 537 56.954 39.632 22.505 1.00 25.94 C ATOM 1512 O SER B 537 55.800 39.201 22.651 1.00 22.77 O ATOM 1513 CB SER B 537 57.679 39.241 20.133 1.00 25.32 C ATOM 1514 OG SER B 537 57.854 39.794 18.841 1.00 27.29 O ATOM 1515 HG SER B 537 57.027 40.266 18.571 1.00 0.00 H ATOM 1516 H SER B 537 59.482 40.812 21.111 1.00 0.00 H ATOM 1517 N LYS B 538 57.882 39.562 23.462 1.00 24.18 N ATOM 1518 CA LYS B 538 57.616 38.977 24.775 1.00 26.80 C ATOM 1519 C LYS B 538 56.785 39.903 25.653 1.00 23.44 C ATOM 1520 O LYS B 538 56.092 39.444 26.564 1.00 24.98 O ATOM 1521 CB LYS B 538 58.926 38.656 25.477 1.00 25.22 C ATOM 1522 CG LYS B 538 59.585 37.549 24.867 1.00 23.45 C ATOM 1523 CD LYS B 538 58.704 36.362 24.942 1.00 25.92 C ATOM 1524 CE LYS B 538 59.356 35.204 24.312 1.00 25.78 C ATOM 1525 NZ LYS B 538 58.469 34.020 24.398 1.00 26.16 N ATOM 1526 HZ1 LYS B 538 58.276 33.805 25.397 1.00 0.00 H ATOM 1527 HZ2 LYS B 538 57.575 34.222 23.906 1.00 0.00 H ATOM 1528 HZ3 LYS B 538 58.936 33.205 23.951 1.00 0.00 H ATOM 1529 H LYS B 538 58.831 39.938 23.266 1.00 0.00 H ATOM 1530 N SER B 539 56.872 41.208 25.397 1.00 24.55 N ATOM 1531 CA SER B 539 56.078 42.159 26.163 1.00 25.11 C ATOM 1532 C SER B 539 54.695 42.163 25.506 1.00 24.34 C ATOM 1533 O SER B 539 53.699 42.509 26.127 1.00 23.63 O ATOM 1534 CB SER B 539 56.713 43.561 26.161 1.00 23.06 C ATOM 1535 OG SER B 539 57.088 43.989 24.865 1.00 23.76 O ATOM 1536 HG SER B 539 56.287 44.017 24.284 1.00 0.00 H ATOM 1537 H SER B 539 57.509 41.548 24.648 1.00 0.00 H ATOM 1538 N ASP B 540 54.664 41.746 24.236 1.00 25.79 N ATOM 1539 CA ASP B 540 53.419 41.620 23.468 1.00 23.87 C ATOM 1540 C ASP B 540 52.690 40.360 23.937 1.00 24.43 C ATOM 1541 O ASP B 540 51.467 40.290 23.893 1.00 22.02 O ATOM 1542 CB ASP B 540 53.699 41.518 21.970 1.00 24.24 C ATOM 1543 CG ASP B 540 53.674 42.861 21.276 1.00 24.58 C ATOM 1544 OD1 ASP B 540 53.345 43.872 21.914 1.00 23.58 O ATOM 1545 OD2 ASP B 540 53.975 42.904 20.074 1.00 22.45 O ATOM 1546 H ASP B 540 55.561 41.500 23.772 1.00 0.00 H ATOM 1547 N VAL B 541 53.460 39.362 24.373 1.00 25.34 N ATOM 1548 CA VAL B 541 52.881 38.123 24.886 1.00 24.65 C ATOM 1549 C VAL B 541 52.202 38.452 26.224 1.00 24.75 C ATOM 1550 O VAL B 541 51.142 37.914 26.521 1.00 23.53 O ATOM 1551 CB VAL B 541 53.968 37.029 25.084 1.00 26.39 C ATOM 1552 CG1 VAL B 541 53.375 35.822 25.833 1.00 23.83 C ATOM 1553 CG2 VAL B 541 54.524 36.598 23.735 1.00 24.20 C ATOM 1554 H VAL B 541 54.494 39.468 24.347 1.00 0.00 H ATOM 1555 N TRP B 542 52.806 39.342 27.020 1.00 22.02 N ATOM 1556 CA TRP B 542 52.204 39.752 28.288 1.00 24.53 C ATOM 1557 C TRP B 542 50.863 40.425 27.963 1.00 25.16 C ATOM 1558 O TRP B 542 49.823 40.063 28.524 1.00 23.15 O ATOM 1559 CB TRP B 542 53.128 40.734 29.032 1.00 23.75 C ATOM 1560 CG TRP B 542 52.552 41.239 30.337 1.00 24.69 C ATOM 1561 CD1 TRP B 542 51.470 42.057 30.489 1.00 24.67 C ATOM 1562 CD2 TRP B 542 52.961 40.867 31.667 1.00 24.91 C ATOM 1563 NE1 TRP B 542 51.169 42.212 31.823 1.00 24.14 N ATOM 1564 CE2 TRP B 542 52.066 41.494 32.570 1.00 25.85 C ATOM 1565 CE3 TRP B 542 53.994 40.069 32.185 1.00 24.08 C ATOM 1566 CZ2 TRP B 542 52.166 41.341 33.960 1.00 25.05 C ATOM 1567 CZ3 TRP B 542 54.095 39.923 33.567 1.00 24.15 C ATOM 1568 CH2 TRP B 542 53.185 40.557 34.437 1.00 24.14 C ATOM 1569 HE1 TRP B 542 50.387 42.782 32.203 1.00 0.00 H ATOM 1570 H TRP B 542 53.719 39.749 26.732 1.00 0.00 H ATOM 1571 N SER B 543 50.899 41.387 27.035 1.00 22.98 N ATOM 1572 CA SER B 543 49.695 42.112 26.603 1.00 24.79 C ATOM 1573 C SER B 543 48.601 41.162 26.155 1.00 24.59 C ATOM 1574 O SER B 543 47.434 41.382 26.423 1.00 21.13 O ATOM 1575 CB SER B 543 50.014 43.047 25.442 1.00 24.47 C ATOM 1576 OG SER B 543 50.802 44.124 25.873 1.00 23.13 O ATOM 1577 HG SER B 543 50.997 44.717 25.105 1.00 0.00 H ATOM 1578 H SER B 543 51.813 41.632 26.603 1.00 0.00 H ATOM 1579 N PHE B 544 49.008 40.114 25.438 1.00 22.19 N ATOM 1580 CA PHE B 544 48.091 39.093 24.934 1.00 25.26 C ATOM 1581 C PHE B 544 47.439 38.397 26.118 1.00 24.71 C ATOM 1582 O PHE B 544 46.266 38.134 26.082 1.00 23.74 O ATOM 1583 CB PHE B 544 48.832 38.061 24.079 1.00 24.55 C ATOM 1584 CG PHE B 544 47.951 36.946 23.573 1.00 22.21 C ATOM 1585 CD1 PHE B 544 46.959 37.195 22.627 1.00 25.35 C ATOM 1586 CD2 PHE B 544 48.101 35.651 24.065 1.00 24.07 C ATOM 1587 CE1 PHE B 544 46.121 36.164 22.173 1.00 24.36 C ATOM 1588 CE2 PHE B 544 47.277 34.616 23.626 1.00 24.93 C ATOM 1589 CZ PHE B 544 46.282 34.868 22.676 1.00 25.53 C ATOM 1590 H PHE B 544 50.022 40.019 25.228 1.00 0.00 H ATOM 1591 N GLY B 545 48.226 38.100 27.154 1.00 25.11 N ATOM 1592 CA GLY B 545 47.704 37.442 28.344 1.00 23.88 C ATOM 1593 C GLY B 545 46.601 38.262 28.992 1.00 24.33 C ATOM 1594 O GLY B 545 45.657 37.708 29.542 1.00 21.98 O ATOM 1595 H GLY B 545 49.236 38.344 27.111 1.00 0.00 H ATOM 1596 N VAL B 546 46.732 39.587 28.915 1.00 23.97 N ATOM 1597 CA VAL B 546 45.734 40.501 29.459 1.00 24.70 C ATOM 1598 C VAL B 546 44.500 40.540 28.530 1.00 26.36 C ATOM 1599 O VAL B 546 43.366 40.526 28.997 1.00 20.96 O ATOM 1600 CB VAL B 546 46.328 41.948 29.639 1.00 25.38 C ATOM 1601 CG1 VAL B 546 45.241 42.930 30.057 1.00 23.81 C ATOM 1602 CG2 VAL B 546 47.432 41.927 30.691 1.00 23.52 C ATOM 1603 H VAL B 546 47.575 39.982 28.451 1.00 0.00 H ATOM 1604 N LEU B 547 44.745 40.566 27.216 1.00 21.92 N ATOM 1605 CA LEU B 547 43.678 40.599 26.207 1.00 23.54 C ATOM 1606 C LEU B 547 42.834 39.353 26.349 1.00 24.35 C ATOM 1607 O LEU B 547 41.633 39.415 26.202 1.00 23.87 O ATOM 1608 CB LEU B 547 44.273 40.669 24.794 1.00 25.43 C ATOM 1609 CG LEU B 547 43.366 40.709 23.558 1.00 24.55 C ATOM 1610 CD1 LEU B 547 44.252 40.919 22.363 1.00 25.22 C ATOM 1611 CD2 LEU B 547 42.576 39.434 23.387 1.00 23.91 C ATOM 1612 H LEU B 547 45.734 40.563 26.894 1.00 0.00 H ATOM 1613 N MET B 548 43.487 38.224 26.620 1.00 25.68 N ATOM 1614 CA MET B 548 42.798 36.954 26.818 1.00 24.63 C ATOM 1615 C MET B 548 41.850 37.080 28.007 1.00 23.75 C ATOM 1616 O MET B 548 40.753 36.568 27.987 1.00 22.63 O ATOM 1617 CB MET B 548 43.776 35.824 27.114 1.00 25.35 C ATOM 1618 CG MET B 548 44.232 35.078 25.924 1.00 24.92 C ATOM 1619 SD MET B 548 45.389 33.746 26.336 1.00 25.53 S ATOM 1620 CE MET B 548 44.242 32.482 26.904 1.00 25.91 C ATOM 1621 H MET B 548 44.524 38.249 26.693 1.00 0.00 H ATOM 1622 N TRP B 549 42.300 37.764 29.048 1.00 23.57 N ATOM 1623 CA TRP B 549 41.472 37.973 30.221 1.00 24.07 C ATOM 1624 C TRP B 549 40.220 38.787 29.827 1.00 25.94 C ATOM 1625 O TRP B 549 39.094 38.426 30.201 1.00 24.84 O ATOM 1626 CB TRP B 549 42.267 38.715 31.294 1.00 25.69 C ATOM 1627 CG TRP B 549 41.515 38.918 32.571 1.00 25.16 C ATOM 1628 CD1 TRP B 549 41.428 38.053 33.611 1.00 23.08 C ATOM 1629 CD2 TRP B 549 40.708 40.054 32.928 1.00 25.15 C ATOM 1630 NE1 TRP B 549 40.635 38.579 34.606 1.00 25.29 N ATOM 1631 CE2 TRP B 549 40.199 39.815 34.219 1.00 24.76 C ATOM 1632 CE3 TRP B 549 40.408 41.273 32.305 1.00 23.58 C ATOM 1633 CZ2 TRP B 549 39.355 40.719 34.867 1.00 24.80 C ATOM 1634 CZ3 TRP B 549 39.571 42.168 32.963 1.00 24.89 C ATOM 1635 CH2 TRP B 549 39.077 41.893 34.238 1.00 22.80 C ATOM 1636 HE1 TRP B 549 40.405 38.112 35.506 1.00 0.00 H ATOM 1637 H TRP B 549 43.262 38.158 29.024 1.00 0.00 H ATOM 1638 N GLU B 550 40.402 39.863 29.063 1.00 23.54 N ATOM 1639 CA GLU B 550 39.274 40.689 28.615 1.00 24.75 C ATOM 1640 C GLU B 550 38.255 39.868 27.827 1.00 26.45 C ATOM 1641 O GLU B 550 37.067 40.124 27.893 1.00 25.57 O ATOM 1642 CB GLU B 550 39.736 41.827 27.702 1.00 24.69 C ATOM 1643 CG GLU B 550 40.706 42.817 28.290 1.00 22.93 C ATOM 1644 CD GLU B 550 41.072 43.903 27.274 1.00 25.91 C ATOM 1645 OE1 GLU B 550 40.300 44.868 27.112 1.00 23.33 O ATOM 1646 OE2 GLU B 550 42.127 43.781 26.607 1.00 23.61 O ATOM 1647 H GLU B 550 41.367 40.124 28.777 1.00 0.00 H ATOM 1648 N VAL B 551 38.738 38.921 27.030 1.00 23.74 N ATOM 1649 CA VAL B 551 37.862 38.077 26.241 1.00 23.88 C ATOM 1650 C VAL B 551 37.025 37.188 27.162 1.00 26.04 C ATOM 1651 O VAL B 551 35.828 37.277 27.141 1.00 21.51 O ATOM 1652 CB VAL B 551 38.668 37.197 25.251 1.00 23.70 C ATOM 1653 CG1 VAL B 551 37.758 36.164 24.605 1.00 24.64 C ATOM 1654 CG2 VAL B 551 39.301 38.063 24.175 1.00 23.71 C ATOM 1655 H VAL B 551 39.767 38.782 26.971 1.00 0.00 H ATOM 1656 N PHE B 552 37.668 36.357 27.982 1.00 23.61 N ATOM 1657 CA PHE B 552 36.938 35.468 28.889 1.00 24.94 C ATOM 1658 C PHE B 552 36.123 36.149 29.989 1.00 23.43 C ATOM 1659 O PHE B 552 35.236 35.541 30.562 1.00 22.55 O ATOM 1660 CB PHE B 552 37.892 34.441 29.492 1.00 24.77 C ATOM 1661 CG PHE B 552 38.259 33.356 28.534 1.00 23.93 C ATOM 1662 CD1 PHE B 552 39.320 33.512 27.645 1.00 25.92 C ATOM 1663 CD2 PHE B 552 37.479 32.205 28.459 1.00 25.69 C ATOM 1664 CE1 PHE B 552 39.591 32.528 26.690 1.00 26.66 C ATOM 1665 CE2 PHE B 552 37.736 31.220 27.518 1.00 25.33 C ATOM 1666 CZ PHE B 552 38.791 31.376 26.630 1.00 26.50 C ATOM 1667 H PHE B 552 38.708 36.339 27.978 1.00 0.00 H ATOM 1668 N SER B 553 36.431 37.414 30.268 1.00 24.27 N ATOM 1669 CA SER B 553 35.688 38.189 31.250 1.00 25.69 C ATOM 1670 C SER B 553 34.640 38.980 30.458 1.00 25.41 C ATOM 1671 O SER B 553 33.903 39.764 31.000 1.00 23.75 O ATOM 1672 CB SER B 553 36.617 39.139 32.009 1.00 24.73 C ATOM 1673 OG SER B 553 37.033 40.223 31.205 1.00 26.44 O ATOM 1674 HG SER B 553 37.520 39.878 30.415 1.00 0.00 H ATOM 1675 H SER B 553 37.226 37.861 29.769 1.00 0.00 H ATOM 1676 N GLU B 554 34.614 38.765 29.146 1.00 25.10 N ATOM 1677 CA GLU B 554 33.652 39.410 28.254 1.00 23.95 C ATOM 1678 C GLU B 554 33.633 40.929 28.301 1.00 25.78 C ATOM 1679 O GLU B 554 32.583 41.548 28.563 1.00 23.01 O ATOM 1680 CB GLU B 554 32.253 38.865 28.563 1.00 26.40 C ATOM 1681 CG GLU B 554 32.216 37.334 28.675 1.00 26.86 C ATOM 1682 CD GLU B 554 30.837 36.810 28.991 1.00 27.65 C ATOM 1683 OE1 GLU B 554 30.320 37.117 30.092 1.00 27.48 O ATOM 1684 OE2 GLU B 554 30.276 36.092 28.139 1.00 28.47 O ATOM 1685 H GLU B 554 35.309 38.109 28.736 1.00 0.00 H ATOM 1686 N GLY B 555 34.786 41.533 28.031 1.00 23.88 N ATOM 1687 CA GLY B 555 34.877 42.984 28.010 1.00 25.07 C ATOM 1688 C GLY B 555 35.017 43.735 29.322 1.00 25.13 C ATOM 1689 O GLY B 555 34.785 44.951 29.361 1.00 24.82 O ATOM 1690 H GLY B 555 35.632 40.962 27.833 1.00 0.00 H ATOM 1691 N LYS B 556 35.384 43.060 30.407 1.00 24.20 N ATOM 1692 CA LYS B 556 35.563 43.766 31.675 1.00 26.37 C ATOM 1693 C LYS B 556 36.880 44.524 31.688 1.00 26.33 C ATOM 1694 O LYS B 556 37.790 44.192 30.949 1.00 29.89 O ATOM 1695 CB LYS B 556 35.506 42.790 32.850 1.00 26.56 C ATOM 1696 CG LYS B 556 34.104 42.598 33.387 1.00 26.63 C ATOM 1697 CD LYS B 556 34.104 41.653 34.519 1.00 26.91 C ATOM 1698 CE LYS B 556 32.705 41.433 35.103 1.00 28.62 C ATOM 1699 NZ LYS B 556 32.725 40.477 36.240 1.00 26.16 N ATOM 1700 HZ1 LYS B 556 33.091 39.560 35.914 1.00 0.00 H ATOM 1701 HZ2 LYS B 556 33.339 40.848 36.993 1.00 0.00 H ATOM 1702 HZ3 LYS B 556 31.759 40.356 36.606 1.00 0.00 H ATOM 1703 H LYS B 556 35.543 42.034 30.354 1.00 0.00 H ATOM 1704 N ILE B 557 36.953 45.542 32.542 1.00 25.03 N ATOM 1705 CA ILE B 557 38.147 46.376 32.694 1.00 24.76 C ATOM 1706 C ILE B 557 39.105 45.699 33.689 1.00 25.49 C ATOM 1707 O ILE B 557 38.703 45.309 34.785 1.00 22.76 O ATOM 1708 CB ILE B 557 37.767 47.797 33.233 1.00 25.90 C ATOM 1709 CG1 ILE B 557 36.847 48.507 32.230 1.00 27.10 C ATOM 1710 CG2 ILE B 557 39.029 48.637 33.485 1.00 26.19 C ATOM 1711 CD1 ILE B 557 36.306 49.825 32.736 1.00 28.02 C ATOM 1712 H ILE B 557 36.122 45.756 33.130 1.00 0.00 H ATOM 1713 N PRO B 558 40.380 45.527 33.296 1.00 25.96 N ATOM 1714 CA PRO B 558 41.353 44.896 34.189 1.00 25.91 C ATOM 1715 C PRO B 558 41.879 45.950 35.149 1.00 25.95 C ATOM 1716 O PRO B 558 42.001 47.100 34.777 1.00 24.07 O ATOM 1717 CB PRO B 558 42.422 44.399 33.226 1.00 24.95 C ATOM 1718 CG PRO B 558 42.438 45.462 32.169 1.00 25.27 C ATOM 1719 CD PRO B 558 40.956 45.722 31.950 1.00 24.85 C ATOM 1720 N TYR B 559 42.173 45.544 36.383 1.00 27.09 N ATOM 1721 CA TYR B 559 42.671 46.452 37.420 1.00 25.77 C ATOM 1722 C TYR B 559 41.827 47.708 37.401 1.00 26.75 C ATOM 1723 O TYR B 559 42.340 48.795 37.492 1.00 28.14 O ATOM 1724 CB TYR B 559 44.122 46.862 37.158 1.00 26.00 C ATOM 1725 CG TYR B 559 45.016 45.777 36.601 1.00 25.83 C ATOM 1726 CD1 TYR B 559 45.293 45.699 35.225 1.00 25.05 C ATOM 1727 CD2 TYR B 559 45.618 44.847 37.448 1.00 25.07 C ATOM 1728 CE1 TYR B 559 46.145 44.731 34.718 1.00 23.40 C ATOM 1729 CE2 TYR B 559 46.473 43.872 36.943 1.00 24.32 C ATOM 1730 CZ TYR B 559 46.728 43.820 35.575 1.00 24.87 C ATOM 1731 OH TYR B 559 47.541 42.830 35.058 1.00 25.20 O ATOM 1732 HH TYR B 559 47.150 41.944 35.262 1.00 0.00 H ATOM 1733 H TYR B 559 42.044 44.540 36.621 1.00 0.00 H ATOM 1734 N GLU B 560 40.520 47.528 37.284 1.00 28.79 N ATOM 1735 CA GLU B 560 39.555 48.623 37.206 1.00 30.11 C ATOM 1736 C GLU B 560 39.732 49.799 38.186 1.00 30.77 C ATOM 1737 O GLU B 560 39.899 50.925 37.774 1.00 28.64 O ATOM 1738 CB GLU B 560 38.151 48.037 37.330 1.00 29.52 C ATOM 1739 CG GLU B 560 37.067 48.820 36.600 1.00 31.56 C ATOM 1740 CD GLU B 560 35.713 48.155 36.772 1.00 32.06 C ATOM 1741 OE1 GLU B 560 35.626 46.939 36.485 1.00 31.34 O ATOM 1742 OE2 GLU B 560 34.746 48.838 37.196 1.00 32.05 O ATOM 1743 H GLU B 560 40.160 46.553 37.245 1.00 0.00 H ATOM 1744 N ASN B 561 39.657 49.538 39.483 1.00 31.68 N ATOM 1745 CA ASN B 561 39.817 50.591 40.493 1.00 36.64 C ATOM 1746 C ASN B 561 41.194 51.284 40.358 1.00 35.60 C ATOM 1747 O ASN B 561 41.302 52.506 40.289 1.00 35.59 O ATOM 1748 CB ASN B 561 39.698 49.971 41.902 1.00 35.67 C ATOM 1749 CG ASN B 561 38.420 50.370 42.637 1.00 37.91 C ATOM 1750 OD1 ASN B 561 38.290 51.500 43.112 1.00 38.08 O ATOM 1751 ND2 ASN B 561 37.473 49.434 42.738 1.00 37.35 N ATOM 1752 HD22 ASN B 561 37.625 48.493 42.322 1.00 0.00 H ATOM 1753 HD21 ASN B 561 36.583 49.646 43.233 1.00 0.00 H ATOM 1754 H ASN B 561 39.480 48.561 39.793 1.00 0.00 H ATOM 1755 N ARG B 562 42.225 50.449 40.320 1.00 34.44 N ATOM 1756 CA ARG B 562 43.643 50.788 40.255 1.00 33.84 C ATOM 1757 C ARG B 562 44.251 51.888 39.373 1.00 32.93 C ATOM 1758 O ARG B 562 43.963 52.004 38.176 1.00 31.88 O ATOM 1759 CB ARG B 562 44.404 49.486 39.990 1.00 35.17 C ATOM 1760 CG ARG B 562 43.709 48.202 40.608 1.00 36.04 C ATOM 1761 CD ARG B 562 43.570 48.308 42.162 1.00 36.84 C ATOM 1762 NE ARG B 562 44.860 48.440 42.834 1.00 37.75 N ATOM 1763 CZ ARG B 562 45.011 48.856 44.087 1.00 38.63 C ATOM 1764 NH1 ARG B 562 43.956 49.185 44.806 1.00 38.48 N ATOM 1765 NH2 ARG B 562 46.220 48.945 44.617 1.00 38.73 N ATOM 1766 HE ARG B 562 45.716 48.192 42.297 1.00 0.00 H ATOM 1767 HH12 ARG B 562 44.076 49.510 45.786 1.00 0.00 H ATOM 1768 HH11 ARG B 562 43.004 49.119 44.393 1.00 0.00 H ATOM 1769 HH22 ARG B 562 46.335 49.271 45.598 1.00 0.00 H ATOM 1770 HH21 ARG B 562 47.055 48.689 44.053 1.00 0.00 H ATOM 1771 H ARG B 562 41.996 49.435 40.339 1.00 0.00 H ATOM 1772 N SER B 563 45.140 52.659 40.003 1.00 31.65 N ATOM 1773 CA SER B 563 45.900 53.734 39.366 1.00 31.63 C ATOM 1774 C SER B 563 47.138 53.081 38.750 1.00 31.10 C ATOM 1775 O SER B 563 47.357 51.878 38.913 1.00 30.99 O ATOM 1776 CB SER B 563 46.334 54.774 40.406 1.00 32.09 C ATOM 1777 OG SER B 563 47.157 54.197 41.406 1.00 28.68 O ATOM 1778 HG SER B 563 47.418 54.894 42.059 1.00 0.00 H ATOM 1779 H SER B 563 45.303 52.483 41.015 1.00 0.00 H ATOM 1780 N ASN B 564 47.960 53.865 38.062 1.00 30.29 N ATOM 1781 CA ASN B 564 49.158 53.310 37.437 1.00 31.90 C ATOM 1782 C ASN B 564 50.202 52.795 38.420 1.00 29.46 C ATOM 1783 O ASN B 564 50.738 51.693 38.243 1.00 26.28 O ATOM 1784 CB ASN B 564 49.804 54.333 36.503 1.00 33.30 C ATOM 1785 CG ASN B 564 49.023 54.520 35.216 1.00 34.73 C ATOM 1786 OD1 ASN B 564 48.057 53.815 34.955 1.00 38.99 O ATOM 1787 ND2 ASN B 564 49.448 55.475 34.404 1.00 35.08 N ATOM 1788 HD22 ASN B 564 50.274 56.051 34.666 1.00 0.00 H ATOM 1789 HD21 ASN B 564 48.956 55.650 33.504 1.00 0.00 H ATOM 1790 H ASN B 564 47.750 54.879 37.968 1.00 0.00 H ATOM 1791 N SER B 565 50.492 53.580 39.450 1.00 29.94 N ATOM 1792 CA SER B 565 51.470 53.194 40.448 1.00 31.02 C ATOM 1793 C SER B 565 50.978 52.014 41.272 1.00 30.79 C ATOM 1794 O SER B 565 51.772 51.249 41.806 1.00 32.62 O ATOM 1795 CB SER B 565 51.772 54.395 41.348 1.00 32.39 C ATOM 1796 OG SER B 565 50.589 55.129 41.636 1.00 27.36 O ATOM 1797 HG SER B 565 50.192 55.458 40.791 1.00 0.00 H ATOM 1798 H SER B 565 50.006 54.495 39.543 1.00 0.00 H ATOM 1799 N GLU B 566 49.663 51.863 41.365 1.00 28.80 N ATOM 1800 CA GLU B 566 49.097 50.761 42.128 1.00 28.26 C ATOM 1801 C GLU B 566 49.188 49.479 41.327 1.00 29.47 C ATOM 1802 O GLU B 566 49.466 48.422 41.867 1.00 26.30 O ATOM 1803 CB GLU B 566 47.647 51.061 42.507 1.00 29.56 C ATOM 1804 CG GLU B 566 47.541 52.197 43.532 1.00 29.26 C ATOM 1805 CD GLU B 566 46.111 52.507 43.935 1.00 30.39 C ATOM 1806 OE1 GLU B 566 45.227 52.399 43.059 1.00 25.55 O ATOM 1807 OE2 GLU B 566 45.883 52.866 45.120 1.00 28.30 O ATOM 1808 H GLU B 566 49.032 52.538 40.888 1.00 0.00 H ATOM 1809 N VAL B 567 48.950 49.591 40.024 1.00 28.88 N ATOM 1810 CA VAL B 567 49.041 48.446 39.122 1.00 27.54 C ATOM 1811 C VAL B 567 50.515 48.026 38.981 1.00 27.83 C ATOM 1812 O VAL B 567 50.817 46.844 38.960 1.00 29.45 O ATOM 1813 CB VAL B 567 48.464 48.775 37.722 1.00 28.45 C ATOM 1814 CG1 VAL B 567 48.829 47.662 36.741 1.00 25.83 C ATOM 1815 CG2 VAL B 567 46.952 48.936 37.802 1.00 26.91 C ATOM 1816 H VAL B 567 48.692 50.521 39.636 1.00 0.00 H ATOM 1817 N VAL B 568 51.420 49.004 38.889 1.00 27.82 N ATOM 1818 CA VAL B 568 52.870 48.750 38.781 1.00 27.26 C ATOM 1819 C VAL B 568 53.405 48.058 40.037 1.00 26.66 C ATOM 1820 O VAL B 568 54.248 47.178 39.971 1.00 29.54 O ATOM 1821 CB VAL B 568 53.650 50.081 38.600 1.00 27.50 C ATOM 1822 CG1 VAL B 568 55.140 49.882 38.896 1.00 26.37 C ATOM 1823 CG2 VAL B 568 53.445 50.612 37.185 1.00 26.18 C ATOM 1824 H VAL B 568 51.088 49.990 38.894 1.00 0.00 H ATOM 1825 N GLU B 569 52.893 48.476 41.185 1.00 27.47 N ATOM 1826 CA GLU B 569 53.324 47.917 42.452 1.00 27.63 C ATOM 1827 C GLU B 569 52.738 46.542 42.750 1.00 27.50 C ATOM 1828 O GLU B 569 53.420 45.687 43.276 1.00 29.77 O ATOM 1829 CB GLU B 569 52.982 48.884 43.573 1.00 28.60 C ATOM 1830 CG GLU B 569 53.406 48.454 44.906 1.00 29.84 C ATOM 1831 CD GLU B 569 53.029 49.482 45.937 1.00 30.09 C ATOM 1832 OE1 GLU B 569 51.824 49.752 46.093 1.00 25.30 O ATOM 1833 OE2 GLU B 569 53.935 50.041 46.576 1.00 31.10 O ATOM 1834 H GLU B 569 52.167 49.221 41.178 1.00 0.00 H ATOM 1835 N ASP B 570 51.468 46.341 42.417 1.00 25.10 N ATOM 1836 CA ASP B 570 50.834 45.050 42.658 1.00 26.65 C ATOM 1837 C ASP B 570 51.446 43.984 41.760 1.00 24.39 C ATOM 1838 O ASP B 570 51.740 42.879 42.216 1.00 24.41 O ATOM 1839 CB ASP B 570 49.319 45.104 42.408 1.00 23.71 C ATOM 1840 CG ASP B 570 48.583 45.971 43.419 1.00 26.57 C ATOM 1841 OD1 ASP B 570 49.087 46.141 44.563 1.00 23.71 O ATOM 1842 OD2 ASP B 570 47.486 46.465 43.062 1.00 22.49 O ATOM 1843 H ASP B 570 50.921 47.111 41.981 1.00 0.00 H ATOM 1844 N ILE B 571 51.638 44.310 40.486 1.00 24.02 N ATOM 1845 CA ILE B 571 52.235 43.371 39.539 1.00 25.61 C ATOM 1846 C ILE B 571 53.654 42.983 39.976 1.00 23.74 C ATOM 1847 O ILE B 571 54.019 41.828 39.936 1.00 24.95 O ATOM 1848 CB ILE B 571 52.277 43.979 38.105 1.00 25.57 C ATOM 1849 CG1 ILE B 571 50.857 44.113 37.551 1.00 25.38 C ATOM 1850 CG2 ILE B 571 53.144 43.126 37.189 1.00 24.65 C ATOM 1851 CD1 ILE B 571 50.141 42.789 37.380 1.00 24.22 C ATOM 1852 H ILE B 571 51.357 45.255 40.155 1.00 0.00 H ATOM 1853 N SER B 572 54.440 43.967 40.398 1.00 25.81 N ATOM 1854 CA SER B 572 55.816 43.728 40.841 1.00 27.42 C ATOM 1855 C SER B 572 55.925 42.834 42.065 1.00 27.71 C ATOM 1856 O SER B 572 56.935 42.191 42.271 1.00 30.34 O ATOM 1857 CB SER B 572 56.521 45.052 41.135 1.00 27.24 C ATOM 1858 OG SER B 572 56.656 45.796 39.942 1.00 26.59 O ATOM 1859 HG SER B 572 57.113 46.652 40.138 1.00 0.00 H ATOM 1860 H SER B 572 54.067 44.938 40.415 1.00 0.00 H ATOM 1861 N THR B 573 54.883 42.820 42.887 1.00 26.77 N ATOM 1862 CA THR B 573 54.887 41.974 44.075 1.00 27.05 C ATOM 1863 C THR B 573 54.289 40.601 43.727 1.00 29.19 C ATOM 1864 O THR B 573 54.439 39.650 44.470 1.00 26.83 O ATOM 1865 CB THR B 573 54.112 42.641 45.260 1.00 28.46 C ATOM 1866 OG1 THR B 573 52.699 42.621 45.014 1.00 32.05 O ATOM 1867 CG2 THR B 573 54.588 44.074 45.451 1.00 27.49 C ATOM 1868 HG1 THR B 573 52.503 43.119 44.181 1.00 0.00 H ATOM 1869 H THR B 573 54.057 43.417 42.682 1.00 0.00 H ATOM 1870 N GLY B 574 53.630 40.506 42.575 1.00 27.80 N ATOM 1871 CA GLY B 574 53.069 39.230 42.158 1.00 26.07 C ATOM 1872 C GLY B 574 51.582 39.123 41.853 1.00 24.51 C ATOM 1873 O GLY B 574 51.133 38.076 41.436 1.00 25.35 O ATOM 1874 H GLY B 574 53.516 41.345 41.972 1.00 0.00 H ATOM 1875 N PHE B 575 50.824 40.192 42.079 1.00 25.63 N ATOM 1876 CA PHE B 575 49.392 40.174 41.807 1.00 25.47 C ATOM 1877 C PHE B 575 49.146 39.799 40.354 1.00 24.01 C ATOM 1878 O PHE B 575 49.955 40.078 39.470 1.00 24.80 O ATOM 1879 CB PHE B 575 48.743 41.547 42.065 1.00 23.99 C ATOM 1880 CG PHE B 575 47.272 41.600 41.725 1.00 25.70 C ATOM 1881 CD1 PHE B 575 46.320 41.035 42.578 1.00 24.82 C ATOM 1882 CD2 PHE B 575 46.840 42.190 40.541 1.00 26.81 C ATOM 1883 CE1 PHE B 575 44.961 41.059 42.259 1.00 25.47 C ATOM 1884 CE2 PHE B 575 45.471 42.224 40.200 1.00 25.59 C ATOM 1885 CZ PHE B 575 44.534 41.657 41.060 1.00 23.91 C ATOM 1886 H PHE B 575 51.261 41.057 42.457 1.00 0.00 H ATOM 1887 N ARG B 576 48.015 39.152 40.116 1.00 25.41 N ATOM 1888 CA ARG B 576 47.625 38.750 38.773 1.00 23.95 C ATOM 1889 C ARG B 576 46.106 38.753 38.688 1.00 24.43 C ATOM 1890 O ARG B 576 45.433 38.318 39.609 1.00 25.11 O ATOM 1891 CB ARG B 576 48.153 37.350 38.456 1.00 24.49 C ATOM 1892 CG ARG B 576 49.691 37.287 38.258 1.00 24.29 C ATOM 1893 CD ARG B 576 50.158 38.207 37.062 1.00 25.91 C ATOM 1894 NE ARG B 576 51.612 38.175 36.837 1.00 25.31 N ATOM 1895 CZ ARG B 576 52.532 38.654 37.678 1.00 23.59 C ATOM 1896 NH1 ARG B 576 52.183 39.225 38.822 1.00 24.15 N ATOM 1897 NH2 ARG B 576 53.813 38.533 37.381 1.00 24.06 N ATOM 1898 HE ARG B 576 51.950 37.745 35.952 1.00 0.00 H ATOM 1899 HH12 ARG B 576 52.914 39.592 39.464 1.00 0.00 H ATOM 1900 HH11 ARG B 576 51.178 39.306 39.078 1.00 0.00 H ATOM 1901 HH22 ARG B 576 54.535 38.904 38.031 1.00 0.00 H ATOM 1902 HH21 ARG B 576 54.100 38.067 36.497 1.00 0.00 H ATOM 1903 H ARG B 576 47.387 38.924 40.913 1.00 0.00 H ATOM 1904 N LEU B 577 45.575 39.273 37.588 1.00 25.42 N ATOM 1905 CA LEU B 577 44.132 39.327 37.334 1.00 25.10 C ATOM 1906 C LEU B 577 43.515 37.949 37.628 1.00 25.83 C ATOM 1907 O LEU B 577 44.121 36.900 37.354 1.00 22.90 O ATOM 1908 CB LEU B 577 43.887 39.705 35.871 1.00 24.51 C ATOM 1909 CG LEU B 577 44.482 41.049 35.454 1.00 24.39 C ATOM 1910 CD1 LEU B 577 44.589 41.143 33.939 1.00 25.36 C ATOM 1911 CD2 LEU B 577 43.621 42.164 36.001 1.00 25.09 C ATOM 1912 H LEU B 577 46.217 39.663 36.868 1.00 0.00 H ATOM 1913 N TYR B 578 42.299 37.954 38.167 1.00 23.36 N ATOM 1914 CA TYR B 578 41.593 36.721 38.539 1.00 25.54 C ATOM 1915 C TYR B 578 41.076 35.885 37.359 1.00 28.64 C ATOM 1916 O TYR B 578 40.947 36.369 36.261 1.00 25.78 O ATOM 1917 CB TYR B 578 40.424 37.072 39.460 1.00 24.78 C ATOM 1918 CG TYR B 578 39.378 37.936 38.789 1.00 26.39 C ATOM 1919 CD1 TYR B 578 38.505 37.402 37.837 1.00 24.91 C ATOM 1920 CD2 TYR B 578 39.277 39.296 39.092 1.00 26.03 C ATOM 1921 CE1 TYR B 578 37.558 38.197 37.199 1.00 24.90 C ATOM 1922 CE2 TYR B 578 38.325 40.109 38.462 1.00 25.57 C ATOM 1923 CZ TYR B 578 37.467 39.555 37.515 1.00 26.52 C ATOM 1924 OH TYR B 578 36.518 40.353 36.896 1.00 24.74 O ATOM 1925 HH TYR B 578 35.996 39.807 36.256 1.00 0.00 H ATOM 1926 H TYR B 578 41.829 38.867 38.332 1.00 0.00 H ATOM 1927 N LYS B 579 40.765 34.616 37.618 1.00 26.18 N ATOM 1928 CA LYS B 579 40.250 33.726 36.583 1.00 26.17 C ATOM 1929 C LYS B 579 38.761 33.986 36.376 1.00 27.19 C ATOM 1930 O LYS B 579 37.963 33.764 37.293 1.00 26.17 O ATOM 1931 CB LYS B 579 40.378 32.264 36.994 1.00 27.18 C ATOM 1932 CG LYS B 579 39.745 31.308 35.946 1.00 27.58 C ATOM 1933 CD LYS B 579 39.832 29.830 36.354 1.00 29.81 C ATOM 1934 CE LYS B 579 41.231 29.352 36.541 1.00 29.54 C ATOM 1935 NZ LYS B 579 41.227 27.924 36.933 1.00 30.55 N ATOM 1936 HZ1 LYS B 579 40.703 27.812 37.825 1.00 0.00 H ATOM 1937 HZ2 LYS B 579 40.769 27.362 36.187 1.00 0.00 H ATOM 1938 HZ3 LYS B 579 42.206 27.598 37.061 1.00 0.00 H ATOM 1939 H LYS B 579 40.893 34.250 38.583 1.00 0.00 H ATOM 1940 N PRO B 580 38.356 34.444 35.178 1.00 25.50 N ATOM 1941 CA PRO B 580 36.927 34.694 34.949 1.00 26.58 C ATOM 1942 C PRO B 580 36.209 33.340 34.941 1.00 26.97 C ATOM 1943 O PRO B 580 36.808 32.333 34.601 1.00 30.74 O ATOM 1944 CB PRO B 580 36.906 35.350 33.572 1.00 27.15 C ATOM 1945 CG PRO B 580 38.252 36.004 33.490 1.00 27.26 C ATOM 1946 CD PRO B 580 39.161 34.937 34.051 1.00 27.85 C ATOM 1947 N ARG B 581 34.931 33.327 35.321 1.00 24.98 N ATOM 1948 CA ARG B 581 34.158 32.083 35.351 1.00 28.01 C ATOM 1949 C ARG B 581 34.283 31.284 34.070 1.00 27.11 C ATOM 1950 O ARG B 581 34.539 30.094 34.102 1.00 26.33 O ATOM 1951 CB ARG B 581 32.676 32.363 35.588 1.00 28.90 C ATOM 1952 CG ARG B 581 32.278 33.794 35.450 1.00 31.29 C ATOM 1953 CD ARG B 581 30.768 33.949 35.711 1.00 34.60 C ATOM 1954 NE ARG B 581 30.336 35.342 35.601 1.00 36.76 N ATOM 1955 CZ ARG B 581 29.078 35.751 35.752 1.00 36.86 C ATOM 1956 NH1 ARG B 581 28.108 34.873 36.013 1.00 37.90 N ATOM 1957 NH2 ARG B 581 28.787 37.045 35.671 1.00 38.08 N ATOM 1958 HE ARG B 581 31.059 36.060 35.391 1.00 0.00 H ATOM 1959 HH12 ARG B 581 27.128 35.200 36.130 1.00 0.00 H ATOM 1960 HH11 ARG B 581 28.332 33.861 36.100 1.00 0.00 H ATOM 1961 HH22 ARG B 581 27.805 37.365 35.789 1.00 0.00 H ATOM 1962 HH21 ARG B 581 29.542 37.737 35.490 1.00 0.00 H ATOM 1963 H ARG B 581 34.474 34.218 35.602 1.00 0.00 H ATOM 1964 N LEU B 582 34.095 31.960 32.939 1.00 26.78 N ATOM 1965 CA LEU B 582 34.146 31.303 31.639 1.00 24.38 C ATOM 1966 C LEU B 582 35.511 30.762 31.240 1.00 26.38 C ATOM 1967 O LEU B 582 35.649 30.216 30.182 1.00 22.30 O ATOM 1968 CB LEU B 582 33.612 32.241 30.552 1.00 24.38 C ATOM 1969 CG LEU B 582 32.096 32.493 30.626 1.00 26.20 C ATOM 1970 CD1 LEU B 582 31.720 33.621 29.689 1.00 24.06 C ATOM 1971 CD2 LEU B 582 31.332 31.217 30.281 1.00 24.20 C ATOM 1972 H LEU B 582 33.907 32.982 32.984 1.00 0.00 H ATOM 1973 N ALA B 583 36.512 30.917 32.099 1.00 23.75 N ATOM 1974 CA ALA B 583 37.853 30.414 31.815 1.00 26.87 C ATOM 1975 C ALA B 583 38.205 29.166 32.645 1.00 25.40 C ATOM 1976 O ALA B 583 38.211 29.181 33.880 1.00 26.16 O ATOM 1977 CB ALA B 583 38.891 31.524 32.042 1.00 23.81 C ATOM 1978 H ALA B 583 36.336 31.410 32.998 1.00 0.00 H ATOM 1979 N SER B 584 38.477 28.077 31.934 1.00 27.02 N ATOM 1980 CA SER B 584 38.851 26.800 32.532 1.00 26.21 C ATOM 1981 C SER B 584 40.259 26.927 33.129 1.00 25.47 C ATOM 1982 O SER B 584 41.016 27.850 32.788 1.00 24.17 O ATOM 1983 CB SER B 584 38.870 25.734 31.458 1.00 26.54 C ATOM 1984 OG SER B 584 39.926 26.043 30.566 1.00 30.57 O ATOM 1985 HG SER B 584 39.962 25.360 29.850 1.00 0.00 H ATOM 1986 H SER B 584 38.420 28.138 30.897 1.00 0.00 H ATOM 1987 N THR B 585 40.616 25.985 33.998 1.00 26.42 N ATOM 1988 CA THR B 585 41.931 26.004 34.641 1.00 26.05 C ATOM 1989 C THR B 585 43.077 26.046 33.627 1.00 23.58 C ATOM 1990 O THR B 585 44.102 26.666 33.869 1.00 23.40 O ATOM 1991 CB THR B 585 42.120 24.785 35.597 1.00 26.63 C ATOM 1992 OG1 THR B 585 41.641 23.594 34.965 1.00 27.44 O ATOM 1993 CG2 THR B 585 41.351 24.992 36.894 1.00 26.10 C ATOM 1994 HG1 THR B 585 41.764 22.825 35.576 1.00 0.00 H ATOM 1995 H THR B 585 39.948 25.221 34.225 1.00 0.00 H ATOM 1996 N HIS B 586 42.880 25.399 32.479 1.00 25.20 N ATOM 1997 CA HIS B 586 43.890 25.377 31.425 1.00 24.33 C ATOM 1998 C HIS B 586 43.966 26.701 30.703 1.00 24.04 C ATOM 1999 O HIS B 586 45.030 27.105 30.273 1.00 21.36 O ATOM 2000 CB HIS B 586 43.612 24.264 30.427 1.00 26.07 C ATOM 2001 CG HIS B 586 44.093 22.931 30.886 1.00 24.65 C ATOM 2002 ND1 HIS B 586 45.235 22.335 30.393 1.00 27.67 N ATOM 2003 CD2 HIS B 586 43.611 22.096 31.834 1.00 25.42 C ATOM 2004 CE1 HIS B 586 45.436 21.191 31.019 1.00 26.07 C ATOM 2005 NE2 HIS B 586 44.464 21.023 31.900 1.00 28.90 N ATOM 2006 H HIS B 586 41.982 24.896 32.330 1.00 0.00 H ATOM 2007 N VAL B 587 42.836 27.386 30.582 1.00 24.74 N ATOM 2008 CA VAL B 587 42.837 28.698 29.928 1.00 25.94 C ATOM 2009 C VAL B 587 43.558 29.710 30.830 1.00 25.04 C ATOM 2010 O VAL B 587 44.235 30.621 30.354 1.00 27.59 O ATOM 2011 CB VAL B 587 41.391 29.234 29.644 1.00 25.56 C ATOM 2012 CG1 VAL B 587 41.471 30.639 29.035 1.00 24.35 C ATOM 2013 CG2 VAL B 587 40.669 28.307 28.689 1.00 25.90 C ATOM 2014 H VAL B 587 41.948 26.991 30.952 1.00 0.00 H ATOM 2015 N TYR B 588 43.406 29.530 32.135 1.00 23.69 N ATOM 2016 CA TYR B 588 44.024 30.416 33.103 1.00 25.11 C ATOM 2017 C TYR B 588 45.538 30.195 33.162 1.00 25.58 C ATOM 2018 O TYR B 588 46.270 31.130 33.369 1.00 25.21 O ATOM 2019 CB TYR B 588 43.399 30.197 34.494 1.00 25.22 C ATOM 2020 CG TYR B 588 43.643 31.329 35.473 1.00 25.26 C ATOM 2021 CD1 TYR B 588 43.331 32.641 35.140 1.00 24.21 C ATOM 2022 CD2 TYR B 588 44.198 31.086 36.729 1.00 25.77 C ATOM 2023 CE1 TYR B 588 43.569 33.688 36.034 1.00 26.37 C ATOM 2024 CE2 TYR B 588 44.441 32.124 37.633 1.00 25.65 C ATOM 2025 CZ TYR B 588 44.128 33.425 37.283 1.00 24.73 C ATOM 2026 OH TYR B 588 44.389 34.455 38.169 1.00 27.24 O ATOM 2027 HH TYR B 588 44.107 35.314 37.766 1.00 0.00 H ATOM 2028 H TYR B 588 42.829 28.733 32.473 1.00 0.00 H ATOM 2029 N GLN B 589 46.000 28.962 32.944 1.00 24.73 N ATOM 2030 CA GLN B 589 47.435 28.677 32.973 1.00 24.94 C ATOM 2031 C GLN B 589 48.143 29.486 31.899 1.00 24.27 C ATOM 2032 O GLN B 589 49.041 30.272 32.188 1.00 23.53 O ATOM 2033 CB GLN B 589 47.690 27.186 32.745 1.00 24.44 C ATOM 2034 CG GLN B 589 47.179 26.294 33.878 1.00 26.23 C ATOM 2035 CD GLN B 589 47.432 24.819 33.645 1.00 24.48 C ATOM 2036 OE1 GLN B 589 47.033 23.990 34.443 1.00 22.42 O ATOM 2037 NE2 GLN B 589 48.110 24.490 32.549 1.00 27.56 N ATOM 2038 HE22 GLN B 589 48.432 25.231 31.894 1.00 0.00 H ATOM 2039 HE21 GLN B 589 48.318 23.491 32.347 1.00 0.00 H ATOM 2040 H GLN B 589 45.329 28.191 32.750 1.00 0.00 H ATOM 2041 N ILE B 590 47.730 29.278 30.656 1.00 24.58 N ATOM 2042 CA ILE B 590 48.305 30.000 29.539 1.00 23.73 C ATOM 2043 C ILE B 590 48.336 31.500 29.839 1.00 25.35 C ATOM 2044 O ILE B 590 49.273 32.194 29.443 1.00 26.68 O ATOM 2045 CB ILE B 590 47.498 29.743 28.256 1.00 26.35 C ATOM 2046 CG1 ILE B 590 47.718 28.299 27.810 1.00 26.83 C ATOM 2047 CG2 ILE B 590 47.922 30.711 27.155 1.00 24.55 C ATOM 2048 CD1 ILE B 590 47.067 27.951 26.515 1.00 25.00 C ATOM 2049 H ILE B 590 46.978 28.582 30.479 1.00 0.00 H ATOM 2050 N MET B 591 47.296 31.982 30.531 1.00 25.01 N ATOM 2051 CA MET B 591 47.183 33.397 30.915 1.00 24.34 C ATOM 2052 C MET B 591 48.314 33.782 31.844 1.00 24.76 C ATOM 2053 O MET B 591 48.944 34.813 31.660 1.00 27.66 O ATOM 2054 CB MET B 591 45.835 33.667 31.602 1.00 24.66 C ATOM 2055 CG MET B 591 44.779 34.208 30.660 1.00 23.56 C ATOM 2056 SD MET B 591 43.188 34.541 31.427 1.00 25.53 S ATOM 2057 CE MET B 591 42.090 33.796 30.267 1.00 24.43 C ATOM 2058 H MET B 591 46.536 31.328 30.809 1.00 0.00 H ATOM 2059 N ASN B 592 48.553 32.928 32.839 1.00 25.33 N ATOM 2060 CA ASN B 592 49.604 33.143 33.833 1.00 26.42 C ATOM 2061 C ASN B 592 51.001 32.925 33.277 1.00 24.56 C ATOM 2062 O ASN B 592 51.963 33.401 33.825 1.00 22.11 O ATOM 2063 CB ASN B 592 49.393 32.231 35.045 1.00 24.65 C ATOM 2064 CG ASN B 592 48.452 32.816 36.059 1.00 25.70 C ATOM 2065 OD1 ASN B 592 48.761 33.832 36.692 1.00 23.44 O ATOM 2066 ND2 ASN B 592 47.299 32.187 36.226 1.00 24.05 N ATOM 2067 HD22 ASN B 592 47.086 31.335 35.669 1.00 0.00 H ATOM 2068 HD21 ASN B 592 46.606 32.545 36.915 1.00 0.00 H ATOM 2069 H ASN B 592 47.967 32.072 32.912 1.00 0.00 H ATOM 2070 N HIS B 593 51.104 32.177 32.192 1.00 23.76 N ATOM 2071 CA HIS B 593 52.405 31.972 31.588 1.00 25.74 C ATOM 2072 C HIS B 593 52.772 33.239 30.812 1.00 24.93 C ATOM 2073 O HIS B 593 53.928 33.620 30.787 1.00 26.40 O ATOM 2074 CB HIS B 593 52.376 30.735 30.692 1.00 24.95 C ATOM 2075 CG HIS B 593 52.397 29.443 31.455 1.00 26.37 C ATOM 2076 ND1 HIS B 593 52.216 29.382 32.822 1.00 25.06 N ATOM 2077 CD2 HIS B 593 52.569 28.167 31.040 1.00 25.99 C ATOM 2078 CE1 HIS B 593 52.274 28.120 33.215 1.00 26.99 C ATOM 2079 NE2 HIS B 593 52.488 27.364 32.154 1.00 27.18 N ATOM 2080 H HIS B 593 50.258 31.739 31.775 1.00 0.00 H ATOM 2081 N CYS B 594 51.775 33.890 30.206 1.00 24.01 N ATOM 2082 CA CYS B 594 51.978 35.134 29.456 1.00 25.01 C ATOM 2083 C CYS B 594 52.340 36.226 30.466 1.00 24.36 C ATOM 2084 O CYS B 594 52.860 37.282 30.091 1.00 24.94 O ATOM 2085 CB CYS B 594 50.692 35.571 28.724 1.00 25.23 C ATOM 2086 SG CYS B 594 49.983 34.394 27.553 1.00 25.53 S ATOM 2087 H CYS B 594 50.814 33.498 30.269 1.00 0.00 H ATOM 2088 N TRP B 595 52.048 35.971 31.744 1.00 24.83 N ATOM 2089 CA TRP B 595 52.311 36.934 32.820 1.00 25.39 C ATOM 2090 C TRP B 595 53.522 36.594 33.713 1.00 24.09 C ATOM 2091 O TRP B 595 53.552 36.955 34.914 1.00 28.15 O ATOM 2092 CB TRP B 595 51.072 37.090 33.700 1.00 25.80 C ATOM 2093 CG TRP B 595 49.859 37.597 32.976 1.00 25.35 C ATOM 2094 CD1 TRP B 595 49.833 38.521 31.978 1.00 25.32 C ATOM 2095 CD2 TRP B 595 48.482 37.285 33.264 1.00 23.76 C ATOM 2096 NE1 TRP B 595 48.539 38.808 31.624 1.00 26.56 N ATOM 2097 CE2 TRP B 595 47.689 38.063 32.393 1.00 25.66 C ATOM 2098 CE3 TRP B 595 47.842 36.420 34.166 1.00 25.30 C ATOM 2099 CZ2 TRP B 595 46.290 38.016 32.402 1.00 24.35 C ATOM 2100 CZ3 TRP B 595 46.440 36.373 34.169 1.00 24.27 C ATOM 2101 CH2 TRP B 595 45.688 37.163 33.290 1.00 26.04 C ATOM 2102 HE1 TRP B 595 48.251 39.484 30.888 1.00 0.00 H ATOM 2103 H TRP B 595 51.618 35.055 31.986 1.00 0.00 H ATOM 2104 N LYS B 596 54.511 35.889 33.153 1.00 25.68 N ATOM 2105 CA LYS B 596 55.721 35.546 33.901 1.00 24.66 C ATOM 2106 C LYS B 596 56.495 36.859 34.000 1.00 26.10 C ATOM 2107 O LYS B 596 56.526 37.630 33.040 1.00 24.23 O ATOM 2108 CB LYS B 596 56.568 34.488 33.164 1.00 25.94 C ATOM 2109 CG LYS B 596 55.981 33.096 33.153 1.00 22.95 C ATOM 2110 CD LYS B 596 55.801 32.577 34.557 1.00 25.86 C ATOM 2111 CE LYS B 596 55.202 31.180 34.529 1.00 25.28 C ATOM 2112 NZ LYS B 596 55.007 30.643 35.898 1.00 26.08 N ATOM 2113 HZ1 LYS B 596 55.925 30.598 36.385 1.00 0.00 H ATOM 2114 HZ2 LYS B 596 54.363 31.267 36.425 1.00 0.00 H ATOM 2115 HZ3 LYS B 596 54.597 29.689 35.840 1.00 0.00 H ATOM 2116 H LYS B 596 54.418 35.578 32.165 1.00 0.00 H ATOM 2117 N GLU B 597 57.098 37.115 35.161 1.00 26.23 N ATOM 2118 CA GLU B 597 57.878 38.338 35.406 1.00 28.93 C ATOM 2119 C GLU B 597 58.959 38.555 34.366 1.00 29.02 C ATOM 2120 O GLU B 597 59.132 39.666 33.859 1.00 28.53 O ATOM 2121 CB GLU B 597 58.558 38.274 36.779 1.00 29.77 C ATOM 2122 CG GLU B 597 57.662 38.539 37.964 1.00 32.09 C ATOM 2123 CD GLU B 597 57.024 39.922 37.928 1.00 32.72 C ATOM 2124 OE1 GLU B 597 57.759 40.930 37.787 1.00 31.04 O ATOM 2125 OE2 GLU B 597 55.782 39.997 38.064 1.00 35.66 O ATOM 2126 H GLU B 597 57.013 36.418 35.929 1.00 0.00 H ATOM 2127 N ARG B 598 59.691 37.475 34.089 1.00 30.94 N ATOM 2128 CA ARG B 598 60.794 37.448 33.129 1.00 29.97 C ATOM 2129 C ARG B 598 60.352 37.074 31.728 1.00 27.69 C ATOM 2130 O ARG B 598 59.780 36.010 31.519 1.00 23.90 O ATOM 2131 CB ARG B 598 61.852 36.435 33.560 1.00 32.27 C ATOM 2132 CG ARG B 598 62.653 36.779 34.794 1.00 36.18 C ATOM 2133 CD ARG B 598 63.633 35.656 35.022 1.00 38.02 C ATOM 2134 NE ARG B 598 64.477 35.856 36.189 1.00 40.22 N ATOM 2135 CZ ARG B 598 65.130 34.860 36.777 1.00 41.83 C ATOM 2136 NH1 ARG B 598 65.014 33.625 36.291 1.00 42.53 N ATOM 2137 NH2 ARG B 598 65.896 35.090 37.839 1.00 42.31 N ATOM 2138 HE ARG B 598 64.573 36.816 36.578 1.00 0.00 H ATOM 2139 HH12 ARG B 598 65.521 32.838 36.744 1.00 0.00 H ATOM 2140 HH11 ARG B 598 64.416 33.448 35.459 1.00 0.00 H ATOM 2141 HH22 ARG B 598 66.404 34.305 38.294 1.00 0.00 H ATOM 2142 HH21 ARG B 598 65.987 36.055 38.215 1.00 0.00 H ATOM 2143 H ARG B 598 59.462 36.593 34.589 1.00 0.00 H ATOM 2144 N PRO B 599 60.629 37.945 30.748 1.00 27.13 N ATOM 2145 CA PRO B 599 60.254 37.688 29.354 1.00 28.29 C ATOM 2146 C PRO B 599 60.706 36.332 28.793 1.00 27.89 C ATOM 2147 O PRO B 599 59.939 35.675 28.101 1.00 34.47 O ATOM 2148 CB PRO B 599 60.843 38.891 28.600 1.00 27.45 C ATOM 2149 CG PRO B 599 61.849 39.467 29.551 1.00 28.50 C ATOM 2150 CD PRO B 599 61.213 39.286 30.880 1.00 27.67 C ATOM 2151 N GLU B 600 61.923 35.896 29.111 1.00 27.24 N ATOM 2152 CA GLU B 600 62.380 34.606 28.596 1.00 27.63 C ATOM 2153 C GLU B 600 61.529 33.460 29.130 1.00 24.72 C ATOM 2154 O GLU B 600 61.579 32.359 28.608 1.00 26.03 O ATOM 2155 CB GLU B 600 63.873 34.354 28.917 1.00 27.55 C ATOM 2156 CG GLU B 600 64.261 34.366 30.394 1.00 31.09 C ATOM 2157 CD GLU B 600 65.764 34.108 30.625 1.00 33.15 C ATOM 2158 OE1 GLU B 600 66.596 34.618 29.836 1.00 36.34 O ATOM 2159 OE2 GLU B 600 66.118 33.408 31.609 1.00 31.28 O ATOM 2160 H GLU B 600 62.543 36.467 29.720 1.00 0.00 H ATOM 2161 N ASP B 601 60.726 33.728 30.154 1.00 24.90 N ATOM 2162 CA ASP B 601 59.886 32.673 30.732 1.00 26.05 C ATOM 2163 C ASP B 601 58.451 32.626 30.181 1.00 24.57 C ATOM 2164 O ASP B 601 57.655 31.756 30.546 1.00 26.03 O ATOM 2165 CB ASP B 601 59.866 32.797 32.259 1.00 26.89 C ATOM 2166 CG ASP B 601 61.259 32.618 32.879 1.00 26.60 C ATOM 2167 OD1 ASP B 601 61.946 31.636 32.530 1.00 24.41 O ATOM 2168 OD2 ASP B 601 61.665 33.457 33.719 1.00 27.74 O ATOM 2169 H ASP B 601 60.693 34.690 30.548 1.00 0.00 H ATOM 2170 N ARG B 602 58.132 33.562 29.291 1.00 24.15 N ATOM 2171 CA ARG B 602 56.812 33.620 28.671 1.00 25.58 C ATOM 2172 C ARG B 602 56.980 32.869 27.366 1.00 24.38 C ATOM 2173 O ARG B 602 58.069 32.865 26.782 1.00 21.90 O ATOM 2174 CB ARG B 602 56.418 35.074 28.383 1.00 24.93 C ATOM 2175 CG ARG B 602 56.659 35.995 29.549 1.00 24.32 C ATOM 2176 CD ARG B 602 56.287 37.407 29.280 1.00 25.34 C ATOM 2177 NE ARG B 602 56.558 38.239 30.442 1.00 24.56 N ATOM 2178 CZ ARG B 602 57.042 39.471 30.350 1.00 25.13 C ATOM 2179 NH1 ARG B 602 57.293 39.975 29.147 1.00 24.20 N ATOM 2180 NH2 ARG B 602 57.274 40.197 31.448 1.00 24.39 N ATOM 2181 HE ARG B 602 56.364 37.851 31.387 1.00 0.00 H ATOM 2182 HH12 ARG B 602 57.673 40.939 29.056 1.00 0.00 H ATOM 2183 HH11 ARG B 602 57.110 39.406 28.296 1.00 0.00 H ATOM 2184 HH22 ARG B 602 57.654 41.162 31.363 1.00 0.00 H ATOM 2185 HH21 ARG B 602 57.075 39.797 32.387 1.00 0.00 H ATOM 2186 H ARG B 602 58.844 34.273 29.029 1.00 0.00 H ATOM 2187 N PRO B 603 55.914 32.207 26.885 1.00 23.59 N ATOM 2188 CA PRO B 603 56.029 31.463 25.617 1.00 26.01 C ATOM 2189 C PRO B 603 55.950 32.379 24.401 1.00 25.11 C ATOM 2190 O PRO B 603 55.539 33.522 24.527 1.00 25.09 O ATOM 2191 CB PRO B 603 54.856 30.485 25.694 1.00 25.46 C ATOM 2192 CG PRO B 603 53.804 31.294 26.420 1.00 25.51 C ATOM 2193 CD PRO B 603 54.603 31.973 27.530 1.00 25.49 C ATOM 2194 N ALA B 604 56.343 31.880 23.232 1.00 24.80 N ATOM 2195 CA ALA B 604 56.290 32.667 22.001 1.00 24.86 C ATOM 2196 C ALA B 604 54.878 32.530 21.441 1.00 25.88 C ATOM 2197 O ALA B 604 54.244 31.523 21.643 1.00 27.31 O ATOM 2198 CB ALA B 604 57.325 32.147 20.991 1.00 23.92 C ATOM 2199 H ALA B 604 56.698 30.903 23.193 1.00 0.00 H ATOM 2200 N PHE B 605 54.377 33.553 20.757 1.00 23.86 N ATOM 2201 CA PHE B 605 53.031 33.479 20.197 1.00 26.25 C ATOM 2202 C PHE B 605 52.898 32.223 19.365 1.00 25.68 C ATOM 2203 O PHE B 605 51.825 31.681 19.251 1.00 24.43 O ATOM 2204 CB PHE B 605 52.713 34.678 19.312 1.00 25.24 C ATOM 2205 CG PHE B 605 52.354 35.911 20.066 1.00 26.07 C ATOM 2206 CD1 PHE B 605 53.254 36.969 20.162 1.00 24.34 C ATOM 2207 CD2 PHE B 605 51.103 36.028 20.669 1.00 24.76 C ATOM 2208 CE1 PHE B 605 52.911 38.143 20.852 1.00 25.10 C ATOM 2209 CE2 PHE B 605 50.756 37.190 21.356 1.00 23.82 C ATOM 2210 CZ PHE B 605 51.667 38.252 21.445 1.00 24.31 C ATOM 2211 H PHE B 605 54.947 34.412 20.620 1.00 0.00 H ATOM 2212 N SER B 606 54.014 31.790 18.777 1.00 23.79 N ATOM 2213 CA SER B 606 54.096 30.581 17.955 1.00 25.66 C ATOM 2214 C SER B 606 53.806 29.366 18.837 1.00 25.22 C ATOM 2215 O SER B 606 53.249 28.371 18.363 1.00 23.86 O ATOM 2216 CB SER B 606 55.502 30.443 17.361 1.00 25.49 C ATOM 2217 OG SER B 606 56.437 30.139 18.379 1.00 24.79 O ATOM 2218 HG SER B 606 57.340 30.053 17.981 1.00 0.00 H ATOM 2219 H SER B 606 54.882 32.347 18.911 1.00 0.00 H ATOM 2220 N ARG B 607 54.208 29.447 20.110 1.00 26.85 N ATOM 2221 CA ARG B 607 53.971 28.369 21.072 1.00 23.99 C ATOM 2222 C ARG B 607 52.554 28.456 21.632 1.00 24.27 C ATOM 2223 O ARG B 607 51.883 27.461 21.765 1.00 23.94 O ATOM 2224 CB ARG B 607 54.988 28.419 22.224 1.00 24.87 C ATOM 2225 CG ARG B 607 54.891 27.203 23.077 1.00 24.31 C ATOM 2226 CD ARG B 607 55.162 26.015 22.174 1.00 26.80 C ATOM 2227 NE ARG B 607 55.101 24.730 22.858 1.00 29.85 N ATOM 2228 CZ ARG B 607 54.570 23.631 22.328 1.00 28.29 C ATOM 2229 NH1 ARG B 607 54.043 23.677 21.111 1.00 26.86 N ATOM 2230 NH2 ARG B 607 54.590 22.485 23.008 1.00 27.75 N ATOM 2231 HE ARG B 607 55.496 24.668 23.818 1.00 0.00 H ATOM 2232 HH12 ARG B 607 53.627 22.821 20.692 1.00 0.00 H ATOM 2233 HH11 ARG B 607 54.046 24.569 20.576 1.00 0.00 H ATOM 2234 HH22 ARG B 607 54.175 21.627 22.593 1.00 0.00 H ATOM 2235 HH21 ARG B 607 55.021 22.449 23.954 1.00 0.00 H ATOM 2236 H ARG B 607 54.705 30.304 20.427 1.00 0.00 H ATOM 2237 N LEU B 608 52.123 29.667 21.967 1.00 24.80 N ATOM 2238 CA LEU B 608 50.771 29.892 22.461 1.00 25.68 C ATOM 2239 C LEU B 608 49.789 29.317 21.446 1.00 24.42 C ATOM 2240 O LEU B 608 48.843 28.639 21.790 1.00 24.57 O ATOM 2241 CB LEU B 608 50.521 31.396 22.622 1.00 24.97 C ATOM 2242 CG LEU B 608 51.109 31.989 23.898 1.00 24.91 C ATOM 2243 CD1 LEU B 608 50.959 33.508 23.925 1.00 24.94 C ATOM 2244 CD2 LEU B 608 50.413 31.326 25.071 1.00 24.44 C ATOM 2245 H LEU B 608 52.769 30.477 21.874 1.00 0.00 H ATOM 2246 N LEU B 609 50.059 29.602 20.183 1.00 23.17 N ATOM 2247 CA LEU B 609 49.219 29.132 19.101 1.00 23.83 C ATOM 2248 C LEU B 609 48.829 27.654 19.240 1.00 25.46 C ATOM 2249 O LEU B 609 47.658 27.300 19.098 1.00 28.83 O ATOM 2250 CB LEU B 609 49.940 29.380 17.780 1.00 25.47 C ATOM 2251 CG LEU B 609 49.068 29.633 16.552 1.00 25.64 C ATOM 2252 CD1 LEU B 609 47.932 30.587 16.887 1.00 24.69 C ATOM 2253 CD2 LEU B 609 49.960 30.213 15.461 1.00 23.65 C ATOM 2254 H LEU B 609 50.896 30.178 19.961 1.00 0.00 H ATOM 2255 N ARG B 610 49.822 26.799 19.499 1.00 23.87 N ATOM 2256 CA ARG B 610 49.620 25.346 19.643 1.00 25.62 C ATOM 2257 C ARG B 610 48.959 25.015 20.982 1.00 25.34 C ATOM 2258 O ARG B 610 48.117 24.116 21.052 1.00 24.28 O ATOM 2259 CB ARG B 610 50.956 24.614 19.547 1.00 25.13 C ATOM 2260 CG ARG B 610 51.949 25.268 18.623 1.00 24.96 C ATOM 2261 CD ARG B 610 53.265 24.499 18.575 1.00 26.49 C ATOM 2262 NE ARG B 610 54.229 25.137 17.688 1.00 26.58 N ATOM 2263 CZ ARG B 610 55.436 25.546 18.063 1.00 26.16 C ATOM 2264 NH1 ARG B 610 55.833 25.382 19.323 1.00 26.33 N ATOM 2265 NH2 ARG B 610 56.240 26.126 17.178 1.00 27.93 N ATOM 2266 HE ARG B 610 53.954 25.282 16.696 1.00 0.00 H ATOM 2267 HH12 ARG B 610 56.778 25.702 19.616 1.00 0.00 H ATOM 2268 HH11 ARG B 610 55.198 24.934 20.014 1.00 0.00 H ATOM 2269 HH22 ARG B 610 57.186 26.448 17.467 1.00 0.00 H ATOM 2270 HH21 ARG B 610 55.923 26.258 16.196 1.00 0.00 H ATOM 2271 H ARG B 610 50.785 27.177 19.604 1.00 0.00 H ATOM 2272 N GLN B 611 49.345 25.735 22.033 1.00 26.88 N ATOM 2273 CA GLN B 611 48.766 25.549 23.358 1.00 25.17 C ATOM 2274 C GLN B 611 47.294 25.985 23.383 1.00 23.98 C ATOM 2275 O GLN B 611 46.491 25.452 24.139 1.00 25.20 O ATOM 2276 CB GLN B 611 49.537 26.375 24.384 1.00 25.73 C ATOM 2277 CG GLN B 611 50.947 25.964 24.595 1.00 25.56 C ATOM 2278 CD GLN B 611 51.650 26.832 25.621 1.00 24.07 C ATOM 2279 OE1 GLN B 611 52.821 26.599 25.968 1.00 22.51 O ATOM 2280 NE2 GLN B 611 50.944 27.842 26.118 1.00 24.86 N ATOM 2281 HE22 GLN B 611 49.967 28.000 25.799 1.00 0.00 H ATOM 2282 HE21 GLN B 611 51.369 28.474 26.826 1.00 0.00 H ATOM 2283 H GLN B 611 50.085 26.455 21.905 1.00 0.00 H ATOM 2284 N LEU B 612 46.951 26.974 22.563 1.00 25.31 N ATOM 2285 CA LEU B 612 45.571 27.441 22.468 1.00 24.47 C ATOM 2286 C LEU B 612 44.766 26.441 21.637 1.00 25.29 C ATOM 2287 O LEU B 612 43.624 26.153 21.935 1.00 24.80 O ATOM 2288 CB LEU B 612 45.505 28.840 21.826 1.00 25.02 C ATOM 2289 CG LEU B 612 45.975 29.967 22.743 1.00 23.53 C ATOM 2290 CD1 LEU B 612 45.730 31.319 22.083 1.00 25.98 C ATOM 2291 CD2 LEU B 612 45.230 29.863 24.068 1.00 25.90 C ATOM 2292 H LEU B 612 47.682 27.425 21.976 1.00 0.00 H ATOM 2293 N ALA B 613 45.394 25.916 20.586 1.00 23.64 N ATOM 2294 CA ALA B 613 44.761 24.916 19.727 1.00 26.15 C ATOM 2295 C ALA B 613 44.549 23.643 20.537 1.00 26.31 C ATOM 2296 O ALA B 613 43.451 23.057 20.517 1.00 25.19 O ATOM 2297 CB ALA B 613 45.650 24.624 18.488 1.00 25.05 C ATOM 2298 H ALA B 613 46.363 26.226 20.370 1.00 0.00 H ATOM 2299 N GLU B 614 45.604 23.222 21.238 1.00 26.77 N ATOM 2300 CA GLU B 614 45.557 22.014 22.066 1.00 27.37 C ATOM 2301 C GLU B 614 44.348 22.057 22.993 1.00 25.28 C ATOM 2302 O GLU B 614 43.637 21.100 23.126 1.00 22.96 O ATOM 2303 CB GLU B 614 46.836 21.880 22.897 1.00 26.23 C ATOM 2304 CG GLU B 614 47.080 20.441 23.388 1.00 28.93 C ATOM 2305 CD GLU B 614 48.354 20.284 24.224 1.00 30.26 C ATOM 2306 OE1 GLU B 614 48.674 19.135 24.618 1.00 29.11 O ATOM 2307 OE2 GLU B 614 49.035 21.307 24.481 1.00 27.19 O ATOM 2308 H GLU B 614 46.488 23.769 21.195 1.00 0.00 H ATOM 2309 N ILE B 615 44.134 23.206 23.623 1.00 27.23 N ATOM 2310 CA ILE B 615 43.013 23.411 24.540 1.00 27.28 C ATOM 2311 C ILE B 615 41.662 23.444 23.810 1.00 27.03 C ATOM 2312 O ILE B 615 40.609 23.098 24.360 1.00 26.89 O ATOM 2313 CB ILE B 615 43.210 24.741 25.348 1.00 27.91 C ATOM 2314 CG1 ILE B 615 44.377 24.583 26.325 1.00 28.61 C ATOM 2315 CG2 ILE B 615 41.932 25.134 26.108 1.00 27.31 C ATOM 2316 CD1 ILE B 615 44.404 25.648 27.403 1.00 26.93 C ATOM 2317 H ILE B 615 44.792 23.994 23.457 1.00 0.00 H ATOM 2318 N ALA B 616 41.710 23.848 22.551 1.00 28.19 N ATOM 2319 CA ALA B 616 40.507 23.944 21.742 1.00 30.45 C ATOM 2320 C ALA B 616 39.735 22.638 21.540 1.00 29.63 C ATOM 2321 O ALA B 616 38.549 22.678 21.310 1.00 33.20 O ATOM 2322 CB ALA B 616 40.842 24.576 20.381 1.00 29.81 C ATOM 2323 H ALA B 616 42.627 24.102 22.132 1.00 0.00 H TER 2324 ALA B 616 HETATM 2325 O HOH 1 30.375 23.793 17.260 1.00 26.96 O HETATM 2326 O HOH 2 29.427 15.945 27.189 1.00 29.43 O HETATM 2327 O HOH 3 34.267 24.849 12.170 1.00 25.94 O HETATM 2328 O HOH 4 43.038 10.168 26.230 1.00 30.00 O HETATM 2329 O HOH 5 31.754 24.771 15.269 1.00 52.07 O HETATM 2330 O HOH 6 32.192 16.184 32.158 1.00 29.22 O HETATM 2331 O HOH 7 31.607 17.528 20.442 1.00 34.87 O HETATM 2332 O HOH 8 29.774 19.877 16.854 1.00 28.22 O HETATM 2333 O HOH 9 26.924 18.050 28.020 1.00 23.53 O HETATM 2334 O HOH 10 21.244 23.634 25.366 1.00 23.00 O HETATM 2335 O HOH 11 21.621 20.246 25.635 1.00 24.63 O HETATM 2336 O HOH 12 38.421 16.572 19.723 1.00 29.95 O HETATM 2337 O HOH 13 42.455 14.728 23.757 1.00 26.94 O HETATM 2338 O HOH 14 40.750 13.420 22.287 1.00 26.36 O HETATM 2339 O HOH 15 34.262 14.021 25.915 1.00 25.91 O HETATM 2340 O HOH 16 29.162 25.028 8.350 1.00 27.49 O HETATM 2341 O HOH 17 45.808 12.287 28.323 1.00 26.99 O HETATM 2342 O HOH 18 29.784 19.384 19.847 1.00 24.97 O HETATM 2343 O HOH 19 42.411 10.939 21.157 1.00 26.74 O HETATM 2344 O HOH 20 30.255 18.921 24.865 1.00 27.68 O HETATM 2345 O HOH 21 33.563 16.349 29.815 1.00 25.85 O HETATM 2346 O HOH 22 36.605 21.026 12.866 1.00 25.95 O HETATM 2347 O HOH 23 44.147 17.800 14.033 1.00 27.58 O HETATM 2348 O HOH 24 43.509 12.692 22.557 1.00 27.99 O HETATM 2349 O HOH 25 39.252 13.694 26.748 1.00 26.21 O HETATM 2350 O HOH 26 19.756 25.124 20.569 1.00 28.03 O HETATM 2351 O HOH 27 20.660 23.117 21.883 1.00 29.03 O HETATM 2352 O HOH 28 33.093 25.718 17.679 1.00 32.56 O HETATM 2353 O HOH 29 26.137 22.850 18.055 1.00 26.26 O HETATM 2354 O HOH 30 22.990 17.650 22.027 1.00 27.04 O HETATM 2355 O HOH 31 32.051 23.751 6.773 1.00 26.69 O HETATM 2356 O HOH 32 36.597 19.496 23.887 1.00 33.02 O HETATM 2357 O HOH 33 45.783 12.763 17.104 1.00 32.65 O HETATM 2358 O HOH 34 48.049 11.035 19.641 1.00 32.55 O HETATM 2359 O HOH 35 28.255 19.865 28.457 1.00 32.10 O HETATM 2360 O HOH 36 23.879 18.347 25.920 1.00 33.67 O HETATM 2361 O HOH 37 36.996 18.076 28.454 1.00 29.77 O HETATM 2362 O HOH 38 36.446 12.718 26.705 1.00 27.75 O HETATM 2363 O HOH 39 24.936 17.237 20.529 1.00 27.02 O HETATM 2364 O HOH 40 26.526 27.950 13.217 1.00 29.49 O HETATM 2365 O HOH 41 33.097 21.183 24.846 1.00 20.88 O HETATM 2366 O HOH 42 22.960 20.945 23.179 1.00 20.88 O HETATM 2367 O HOH 43 29.395 52.373 27.800 1.00 40.26 O HETATM 2368 O HOH 44 37.860 53.404 27.743 1.00 25.77 O HETATM 2369 O HOH 45 26.421 36.984 19.844 1.00 25.33 O HETATM 2370 O HOH 46 19.863 47.623 24.371 1.00 26.93 O HETATM 2371 O HOH 47 19.131 47.423 19.051 1.00 25.50 O HETATM 2372 O HOH 48 29.795 42.163 30.537 1.00 25.88 O HETATM 2373 O HOH 49 31.360 46.386 33.254 1.00 24.67 O HETATM 2374 O HOH 50 25.613 35.393 28.085 1.00 30.07 O HETATM 2375 O HOH 51 29.704 30.880 33.561 1.00 25.14 O HETATM 2376 O HOH 52 33.357 32.243 16.310 1.00 50.47 O HETATM 2377 O HOH 53 37.678 32.568 9.806 1.00 30.40 O HETATM 2378 O HOH 54 53.334 31.553 12.640 1.00 27.45 O HETATM 2379 O HOH 55 56.927 30.072 11.298 1.00 28.48 O HETATM 2380 O HOH 56 62.226 38.116 10.353 1.00 32.70 O HETATM 2381 O HOH 57 57.768 49.180 17.568 1.00 24.66 O HETATM 2382 O HOH 58 59.598 53.517 23.696 1.00 25.58 O HETATM 2383 O HOH 59 35.724 44.319 5.971 1.00 25.89 O HETATM 2384 O HOH 60 23.728 43.707 11.671 1.00 28.20 O HETATM 2385 O HOH 61 24.736 45.146 7.214 1.00 28.41 O HETATM 2386 O HOH 62 22.925 47.908 10.810 1.00 27.48 O HETATM 2387 O HOH 63 26.428 31.167 13.766 1.00 29.27 O HETATM 2388 O HOH 64 43.153 40.515 6.727 1.00 26.39 O HETATM 2389 O HOH 65 59.009 52.390 11.066 1.00 61.83 O HETATM 2390 O HOH 66 55.150 55.044 20.421 1.00 25.10 O HETATM 2391 O HOH 67 58.705 59.012 17.909 1.00 25.27 O HETATM 2392 O HOH 68 54.589 63.076 25.077 1.00 34.77 O HETATM 2393 O HOH 69 50.204 63.979 22.445 1.00 40.27 O HETATM 2394 O HOH 70 57.415 63.415 31.435 1.00 27.03 O HETATM 2395 O HOH 71 45.901 52.256 31.360 1.00 37.67 O HETATM 2396 O HOH 72 40.395 43.601 37.972 1.00 27.98 O HETATM 2397 O HOH 73 37.386 52.413 39.249 1.00 27.39 O HETATM 2398 O HOH 74 32.796 54.092 35.817 1.00 49.53 O HETATM 2399 O HOH 75 40.841 50.301 30.263 1.00 25.18 O HETATM 2400 O HOH 76 52.751 58.863 35.788 1.00 50.06 O HETATM 2401 O HOH 77 49.567 57.878 39.714 1.00 26.24 O HETATM 2402 O HOH 78 47.512 33.968 39.712 1.00 25.31 O HETATM 2403 O HOH 79 41.236 33.371 40.491 1.00 25.26 O HETATM 2404 O HOH 80 42.407 37.541 42.661 1.00 25.88 O HETATM 2405 O HOH 81 45.050 35.771 41.298 1.00 25.86 O HETATM 2406 O HOH 82 43.129 27.006 38.056 1.00 32.51 O HETATM 2407 O HOH 83 32.560 27.868 30.703 1.00 37.51 O HETATM 2408 O HOH 84 37.862 25.833 26.514 1.00 31.45 O HETATM 2409 O HOH 85 38.187 21.317 26.712 1.00 22.67 O HETATM 2410 O HOH 86 43.703 19.403 33.471 1.00 40.08 O HETATM 2411 O HOH 87 42.191 19.410 25.669 1.00 45.21 O HETATM 2412 O HOH 88 47.963 29.215 35.983 1.00 41.92 O HETATM 2413 O HOH 89 51.151 25.999 35.542 1.00 62.35 O HETATM 2414 O HOH 90 51.254 30.383 37.310 1.00 34.12 O HETATM 2415 O HOH 91 53.980 24.487 33.314 1.00 27.27 O HETATM 2416 O HOH 92 55.394 27.575 28.191 1.00 34.10 O HETATM 2417 O HOH 93 56.135 35.478 37.481 1.00 24.25 O HETATM 2418 O HOH 94 65.252 26.189 29.130 1.00 27.07 O HETATM 2419 O HOH 95 64.932 33.639 25.629 1.00 25.16 O HETATM 2420 O HOH 96 61.178 31.643 23.088 1.00 25.78 O HETATM 2421 O HOH 97 58.697 29.690 23.987 1.00 47.56 O HETATM 2422 O HOH 98 61.382 33.603 21.265 1.00 26.56 O HETATM 2423 O HOH 99 57.355 21.357 22.855 1.00 49.60 O HETATM 2424 O HOH 100 47.379 23.368 25.584 1.00 26.14 O HETATM 2425 O HOH 101 65.058 51.626 27.597 1.00 23.34 O HETATM 2426 O HOH 102 53.417 54.391 -2.346 1.00 26.71 O HETATM 2427 O HOH 103 55.113 45.248 23.931 1.00 28.76 O HETATM 2428 O HOH 104 28.427 56.206 21.154 1.00 26.92 O HETATM 2429 O HOH 105 39.092 48.722 26.839 1.00 24.54 O HETATM 2430 O HOH 106 32.860 22.373 19.224 1.00 32.03 O HETATM 2431 O HOH 107 41.445 62.264 23.318 1.00 28.42 O HETATM 2432 O HOH 108 40.007 63.965 22.489 1.00 24.97 O HETATM 2433 O HOH 109 48.825 48.422 45.661 1.00 27.34 O HETATM 2434 O HOH 110 22.036 33.755 19.025 1.00 27.97 O HETATM 2435 O HOH 111 25.904 29.654 25.955 1.00 43.81 O HETATM 2436 O HOH 112 27.840 34.721 20.089 1.00 27.22 O HETATM 2437 O HOH 113 22.206 42.799 14.068 1.00 39.96 O HETATM 2438 O HOH 114 28.878 39.785 30.062 1.00 27.08 O HETATM 2439 O HOH 115 38.644 25.102 17.035 1.00 27.95 O HETATM 2440 O HOH 116 38.615 34.767 8.372 1.00 36.55 O HETATM 2441 O HOH 117 25.887 40.936 10.323 1.00 25.77 O HETATM 2442 O HOH 118 27.637 43.817 16.623 1.00 25.85 O HETATM 2443 O HOH 119 31.175 47.155 18.845 1.00 26.93 O HETATM 2444 O HOH 120 26.531 48.875 10.513 1.00 24.77 O HETATM 2445 O HOH 121 23.093 33.265 8.788 1.00 32.52 O HETATM 2446 O HOH 122 22.473 30.716 11.826 1.00 23.98 O HETATM 2447 O HOH 123 22.763 32.849 3.904 1.00 25.67 O HETATM 2448 O HOH 124 41.057 65.407 -4.193 1.00 29.26 O HETATM 2449 O HOH 125 40.800 53.931 36.984 1.00 44.88 O HETATM 2450 O HOH 126 32.628 51.845 38.186 1.00 31.25 O HETATM 2451 O HOH 127 52.338 60.888 39.539 1.00 27.71 O HETATM 2452 O HOH 128 62.496 51.468 37.230 1.00 52.65 O HETATM 2453 O HOH 129 33.773 24.440 27.298 1.00 37.93 O HETATM 2454 O HOH 130 28.890 56.144 16.779 1.00 24.31 O HETATM 2455 O HOH 131 60.161 36.299 5.181 1.00 24.26 O HETATM 2456 O HOH 132 37.784 20.197 16.397 1.00 27.14 O HETATM 2457 O HOH 133 38.419 63.801 1.551 1.00 26.45 O HETATM 2458 O HOH 134 30.837 47.461 31.294 1.00 26.36 O HETATM 2459 O HOH 135 34.902 33.412 13.285 1.00 37.39 O HETATM 2460 O HOH 136 54.593 50.022 16.722 1.00 54.71 O HETATM 2461 O HOH 137 64.903 39.482 24.069 1.00 25.51 O HETATM 2462 O HOH 138 41.052 19.029 29.790 1.00 25.59 O HETATM 2463 O HOH 139 52.183 62.228 27.695 1.00 53.33 O HETATM 2464 O HOH 140 53.676 34.011 37.419 1.00 28.28 O HETATM 2465 O HOH 141 33.543 60.189 -3.555 1.00 26.08 O HETATM 2466 O HOH 142 29.549 61.860 12.760 1.00 27.68 O HETATM 2467 O HOH 143 25.185 56.230 9.130 1.00 27.54 O HETATM 2468 O HOH 144 29.013 58.834 16.544 1.00 26.87 O HETATM 2469 O HOH 145 31.845 47.521 1.570 1.00 26.63 O HETATM 2470 O HOH 146 54.590 67.975 16.065 1.00 26.91 O HETATM 2471 O HOH 147 57.040 64.060 3.632 1.00 27.13 O HETATM 2472 O HOH 148 53.825 62.087 1.233 1.00 28.41 O HETATM 2473 O HOH 149 25.026 44.211 14.267 1.00 44.07 O HETATM 2474 O HOH 150 36.875 44.387 26.415 1.00 29.18 O HETATM 2475 O HOH 151 28.786 50.914 22.675 1.00 26.22 O HETATM 2476 O HOH 152 24.249 30.672 31.717 1.00 26.12 O HETATM 2477 O HOH 153 32.047 25.158 25.166 1.00 27.79 O HETATM 2478 O HOH 154 53.152 37.804 4.336 1.00 27.10 O HETATM 2479 O HOH 155 60.771 45.989 12.024 1.00 26.15 O HETATM 2480 O HOH 156 58.693 33.177 14.870 1.00 27.57 O HETATM 2481 O HOH 157 60.605 30.310 18.644 1.00 25.63 O HETATM 2482 O HOH 158 58.927 32.724 17.579 1.00 26.67 O HETATM 2483 O HOH 159 57.364 47.921 13.861 1.00 36.39 O HETATM 2484 O HOH 160 62.725 48.036 13.338 1.00 26.74 O HETATM 2485 O HOH 161 58.846 50.929 16.142 1.00 26.31 O HETATM 2486 O HOH 162 32.998 43.153 8.432 1.00 24.79 O HETATM 2487 O HOH 163 61.370 48.328 20.922 1.00 26.64 O HETATM 2488 O HOH 164 31.594 38.730 33.149 1.00 25.48 O HETATM 2489 O HOH 165 59.428 43.726 43.419 1.00 28.07 O HETATM 2490 O HOH 166 46.681 30.641 39.255 1.00 27.81 O HETATM 2491 O HOH 167 42.334 21.018 35.631 1.00 32.22 O HETATM 2492 O HOH 168 47.897 20.463 34.456 1.00 28.33 O HETATM 2493 O HOH 169 59.618 34.771 35.622 1.00 25.70 O HETATM 2494 O HOH 170 64.362 37.020 30.457 1.00 31.56 O HETATM 2495 O HOH 171 62.927 35.197 25.366 1.00 32.73 O HETATM 2496 O HOH 172 52.183 21.134 27.717 1.00 24.22 O HETATM 2497 O HOH 173 39.821 19.407 25.117 1.00 31.53 O HETATM 2498 O HOH 174 45.014 65.449 -4.862 1.00 22.61 O HETATM 2499 O HOH 175 63.138 49.197 4.424 1.00 29.02 O HETATM 2500 O HOH 176 47.442 75.507 -5.302 1.00 24.55 O HETATM 2501 O HOH 177 37.572 43.940 2.986 1.00 25.57 O HETATM 2502 O HOH 178 35.305 40.229 8.523 1.00 27.33 O HETATM 2503 O HOH 179 41.378 47.125 25.477 1.00 25.80 O HETATM 2504 O HOH 180 49.000 43.899 32.860 1.00 27.53 O HETATM 2505 O HOH 181 50.553 45.759 33.947 1.00 39.09 O HETATM 2506 O HOH 182 55.121 40.621 18.166 1.00 25.85 O HETATM 2507 O HOH 183 51.139 46.228 46.783 1.00 28.84 O HETATM 2508 O HOH 184 60.959 45.933 41.533 1.00 28.07 O HETATM 2509 O HOH 185 37.096 30.426 37.224 1.00 26.70 O HETATM 2510 O HOH 186 40.171 16.688 32.489 1.00 32.52 O HETATM 2511 O HOH 187 53.131 25.965 29.236 1.00 44.42 O HETATM 2512 O HOH 188 45.207 27.060 36.366 1.00 28.94 O HETATM 2513 O HOH 189 57.828 32.210 36.679 1.00 26.30 O HETATM 2514 O HOH 190 57.921 27.707 19.116 1.00 25.98 O HETATM 2515 O HOH 191 52.448 17.897 21.431 1.00 25.55 O HETATM 2516 O HOH 192 51.722 60.433 -9.329 1.00 32.60 O HETATM 2517 O HOH 193 49.592 64.234 -9.387 1.00 25.86 O HETATM 2518 O HOH 194 47.237 49.386 -0.372 1.00 24.94 O HETATM 2519 O HOH 195 31.139 63.733 0.818 1.00 28.37 O HETATM 2520 O HOH 196 31.219 56.300 22.726 1.00 27.19 O HETATM 2521 O HOH 197 40.778 53.923 25.287 1.00 28.64 O HETATM 2522 O HOH 198 35.173 56.263 27.232 1.00 24.40 O HETATM 2523 O HOH 199 38.333 61.937 28.936 1.00 23.68 O HETATM 2524 O HOH 200 51.695 59.710 14.994 1.00 26.20 O HETATM 2525 O HOH 201 35.162 47.205 4.121 1.00 32.00 O HETATM 2526 O HOH 202 58.351 59.563 23.248 1.00 35.50 O HETATM 2527 O HOH 203 58.654 66.698 15.576 1.00 26.61 O HETATM 2528 O HOH 204 57.439 72.079 16.137 1.00 26.42 O HETATM 2529 O HOH 205 58.412 60.196 5.049 1.00 23.37 O HETATM 2530 O HOH 206 50.751 35.410 5.333 1.00 28.45 O HETATM 2531 O HOH 207 56.274 60.186 -3.012 1.00 39.06 O HETATM 2532 O HOH 208 56.083 60.713 -9.609 1.00 28.00 O HETATM 2533 O HOH 209 19.407 44.782 16.654 1.00 27.18 O HETATM 2534 O HOH 210 57.152 41.863 5.557 1.00 26.52 O HETATM 2535 O HOH 211 53.779 52.474 22.912 1.00 28.04 O HETATM 2536 O HOH 212 44.041 54.096 34.218 1.00 31.49 O HETATM 2537 O HOH 213 47.871 40.239 35.578 1.00 24.94 O HETATM 2538 O HOH 214 53.505 44.868 27.264 1.00 26.20 O HETATM 2539 O HOH 215 29.194 39.011 34.423 1.00 26.58 O HETATM 2540 O HOH 216 50.495 58.319 36.351 1.00 27.53 O HETATM 2541 O HOH 217 49.241 24.973 29.089 1.00 33.59 O HETATM 2542 O HOH 218 62.487 38.634 25.033 1.00 26.41 O HETATM 2543 O HOH 219 27.298 55.690 26.554 1.00 45.08 O HETATM 2544 O HOH 220 25.593 58.308 21.143 1.00 37.77 O HETATM 2545 O HOH 221 53.797 57.433 19.333 1.00 28.11 O HETATM 2546 O HOH 222 63.464 29.796 22.593 1.00 27.30 O HETATM 2547 O HOH 223 45.572 63.941 -9.258 1.00 28.80 O HETATM 2548 O HOH 224 33.740 56.591 21.193 1.00 26.78 O HETATM 2549 O HOH 225 33.063 49.437 18.745 1.00 26.93 O HETATM 2550 O HOH 226 40.373 53.459 21.142 1.00 26.71 O HETATM 2551 O HOH 227 48.399 65.462 18.073 1.00 27.05 O HETATM 2552 O HOH 228 56.400 73.031 12.932 1.00 28.95 O HETATM 2553 O HOH 229 52.997 70.311 13.434 1.00 27.28 O HETATM 2554 O HOH 230 58.740 68.346 11.247 1.00 25.58 O HETATM 2555 O HOH 231 34.529 31.204 12.318 1.00 27.21 O HETATM 2556 O HOH 232 52.338 70.742 10.125 1.00 27.27 O HETATM 2557 O HOH 233 61.017 61.653 8.158 1.00 28.46 O HETATM 2558 O HOH 234 61.608 58.700 9.980 1.00 27.65 O HETATM 2559 O HOH 235 64.178 57.279 11.388 1.00 27.76 O HETATM 2560 O HOH 236 55.960 57.419 15.197 1.00 26.35 O HETATM 2561 O HOH 237 47.282 61.203 -1.084 1.00 25.18 O HETATM 2562 O HOH 238 52.663 64.499 -0.201 1.00 28.65 O HETATM 2563 O HOH 239 50.791 55.763 -0.248 1.00 26.73 O HETATM 2564 O HOH 240 51.317 66.855 -4.092 1.00 29.81 O HETATM 2565 O HOH 241 33.443 43.786 4.902 1.00 26.91 O HETATM 2566 O HOH 242 59.936 70.620 12.278 1.00 27.83 O HETATM 2567 O HOH 243 29.165 48.818 21.319 1.00 25.26 O HETATM 2568 O HOH 244 27.486 52.856 20.696 1.00 26.44 O HETATM 2569 O HOH 245 33.597 51.214 29.548 1.00 27.17 O HETATM 2570 O HOH 246 21.463 43.430 23.615 1.00 29.28 O HETATM 2571 O HOH 247 24.954 28.932 23.560 1.00 27.00 O HETATM 2572 O HOH 248 22.472 31.503 25.511 1.00 27.17 O HETATM 2573 O HOH 249 23.718 27.521 25.325 1.00 27.30 O HETATM 2574 O HOH 250 35.180 24.846 29.741 1.00 28.68 O HETATM 2575 O HOH 251 55.500 37.193 9.206 1.00 28.33 O HETATM 2576 O HOH 252 45.100 52.565 22.207 1.00 27.44 O HETATM 2577 O HOH 253 24.766 38.190 8.541 1.00 26.53 O HETATM 2578 O HOH 254 25.552 35.830 8.369 1.00 25.13 O HETATM 2579 O HOH 255 33.519 37.745 5.295 1.00 27.44 O HETATM 2580 O HOH 256 48.879 57.714 29.572 1.00 28.48 O HETATM 2581 O HOH 257 45.423 58.858 33.197 1.00 27.11 O HETATM 2582 O HOH 258 66.407 51.038 29.535 1.00 27.65 O HETATM 2583 O HOH 259 64.837 50.396 24.747 1.00 26.86 O HETATM 2584 O HOH 260 62.982 48.789 22.857 1.00 26.85 O HETATM 2585 O HOH 261 63.245 46.861 21.045 1.00 27.83 O HETATM 2586 O HOH 262 32.548 46.680 37.537 1.00 24.86 O HETATM 2587 O HOH 263 53.364 54.842 37.840 1.00 25.40 O HETATM 2588 O HOH 264 49.716 72.269 12.101 1.00 33.22 O HETATM 2589 O HOH 265 34.157 21.457 32.507 1.00 26.33 O HETATM 2590 O HOH 266 61.308 29.133 32.110 1.00 27.74 O HETATM 2591 O HOH 267 40.008 21.340 28.149 1.00 26.10 O HETATM 2592 O HOH 268 47.085 51.850 12.659 1.00 25.50 O HETATM 2593 O HOH 269 39.425 55.726 27.983 1.00 28.39 O HETATM 2594 O HOH 270 42.470 52.669 21.567 1.00 27.37 O HETATM 2595 O HOH 271 23.804 57.614 18.714 1.00 29.40 O HETATM 2596 O HOH 272 29.690 47.461 0.409 1.00 27.94 O HETATM 2597 O HOH 273 46.224 62.912 -4.514 1.00 28.60 O HETATM 2598 O HOH 274 57.357 67.450 13.618 1.00 25.74 O HETATM 2599 O HOH 275 37.823 40.434 6.206 1.00 25.76 O HETATM 2600 O HOH 276 52.862 64.762 -4.372 1.00 26.29 O HETATM 2601 O HOH 277 55.778 64.621 -1.162 1.00 27.62 O HETATM 2602 O HOH 278 48.799 70.155 -7.148 1.00 25.39 O HETATM 2603 O HOH 279 51.427 66.163 2.886 1.00 27.36 O HETATM 2604 O HOH 280 41.002 65.500 4.224 1.00 26.75 O HETATM 2605 O HOH 281 54.436 61.637 -7.470 1.00 26.74 O HETATM 2606 O HOH 282 26.119 48.435 17.779 1.00 28.08 O HETATM 2607 O HOH 283 27.220 35.448 17.199 1.00 25.71 O HETATM 2608 O HOH 284 60.436 36.830 7.739 1.00 24.95 O HETATM 2609 O HOH 285 52.409 55.365 27.729 1.00 26.85 O HETATM 2610 O HOH 286 41.639 50.743 32.366 1.00 27.10 O HETATM 2611 O HOH 287 57.513 53.669 17.457 1.00 24.95 O HETATM 2612 O HOH 288 24.083 52.056 27.605 1.00 28.18 O HETATM 2613 O HOH 289 23.212 35.233 31.034 1.00 25.08 O HETATM 2614 O HOH 290 23.462 37.802 30.801 1.00 27.51 O HETATM 2615 O HOH 291 44.106 71.065 31.769 1.00 26.75 O HETATM 2616 O HOH 292 46.305 69.689 31.961 1.00 27.69 O HETATM 2617 O HOH 293 61.017 66.743 5.639 1.00 27.29 O HETATM 2618 O HOH 294 30.677 27.830 27.270 1.00 26.87 O HETATM 2619 O HOH 295 49.189 70.380 10.188 1.00 28.44 O HETATM 2620 O HOH 296 36.363 50.937 24.113 1.00 28.27 O HETATM 2621 O HOH 297 33.734 52.948 24.480 1.00 27.67 O HETATM 2622 O HOH 298 36.349 34.459 16.358 1.00 29.03 O HETATM 2623 O HOH 299 36.319 56.270 23.146 1.00 31.83 O HETATM 2624 O HOH 300 37.880 63.069 21.918 1.00 33.35 O HETATM 2625 O HOH 301 45.737 57.939 27.872 1.00 32.83 O HETATM 2626 O HOH 302 53.619 66.548 17.750 1.00 32.32 O HETATM 2627 O HOH 303 24.667 52.800 9.981 1.00 33.23 O HETATM 2628 O HOH 304 22.918 48.326 0.210 1.00 30.08 O HETATM 2629 O HOH 305 41.941 66.173 8.273 1.00 32.27 O HETATM 2630 O HOH 306 50.929 68.105 10.968 1.00 32.02 O HETATM 2631 O HOH 307 49.903 64.683 20.055 1.00 31.83 O HETATM 2632 O HOH 308 60.495 49.715 4.849 1.00 32.34 O HETATM 2633 O HOH 309 21.435 46.349 19.862 1.00 33.52 O HETATM 2634 O HOH 310 24.346 31.990 22.605 1.00 32.96 O HETATM 2635 O HOH 311 29.221 32.305 20.732 1.00 32.81 O HETATM 2636 O HOH 312 53.568 33.259 11.189 1.00 33.26 O HETATM 2637 O HOH 313 61.817 45.032 16.137 1.00 33.78 O HETATM 2638 O HOH 314 39.208 48.465 29.050 1.00 32.67 O HETATM 2639 O HOH 315 37.155 39.082 10.283 1.00 33.72 O HETATM 2640 O HOH 316 45.104 52.341 28.888 1.00 33.48 O HETATM 2641 O HOH 317 54.995 55.607 27.309 1.00 31.77 O HETATM 2642 O HOH 318 36.271 46.277 38.816 1.00 32.62 O HETATM 2643 O HOH 319 48.493 56.910 37.350 1.00 34.63 O HETATM 2644 O HOH 320 52.473 57.032 38.528 1.00 32.26 O HETATM 2645 O HOH 321 56.741 27.269 36.440 1.00 33.02 O HETATM 2646 O HOH 322 67.821 34.972 27.556 1.00 33.27 O HETATM 2647 O HOH 323 64.209 27.830 34.349 1.00 33.95 O HETATM 2648 O HOH 324 50.047 19.006 31.517 1.00 33.54 O HETATM 2649 O HOH 325 50.746 19.062 27.331 1.00 32.02 O HETATM 2650 O HOH 326 52.211 57.905 -7.258 1.00 31.73 O HETATM 2651 O HOH 327 55.677 57.941 -6.422 1.00 34.25 O HETATM 2652 O HOH 328 47.958 62.877 -8.339 1.00 32.76 O HETATM 2653 O HOH 329 48.290 55.713 -6.364 1.00 32.62 O HETATM 2654 O HOH 330 35.832 64.218 1.241 1.00 33.02 O HETATM 2655 O HOH 331 36.507 61.200 -6.855 1.00 32.44 O HETATM 2656 O HOH 332 37.387 65.807 -1.439 1.00 31.80 O HETATM 2657 O HOH 333 40.282 68.804 0.227 1.00 31.91 O HETATM 2658 O HOH 334 30.858 64.063 7.035 1.00 32.26 O HETATM 2659 O HOH 335 30.819 62.465 8.685 1.00 33.15 O HETATM 2660 O HOH 336 24.680 54.288 14.599 1.00 31.53 O HETATM 2661 O HOH 337 30.186 48.540 24.625 1.00 33.19 O HETATM 2662 O HOH 338 36.914 52.769 19.293 1.00 33.38 O HETATM 2663 O HOH 339 33.799 64.300 13.496 1.00 31.82 O HETATM 2664 O HOH 340 40.811 59.721 23.707 1.00 33.47 O HETATM 2665 O HOH 341 48.407 62.815 24.571 1.00 33.16 O HETATM 2666 O HOH 342 49.559 60.221 15.384 1.00 32.31 O HETATM 2667 O HOH 343 39.921 55.454 18.690 1.00 33.64 O HETATM 2668 O HOH 344 33.706 61.816 20.869 1.00 33.09 O HETATM 2669 O HOH 345 31.920 45.199 6.598 1.00 31.78 O HETATM 2670 O HOH 346 47.134 55.483 16.779 1.00 32.45 O HETATM 2671 O HOH 347 55.772 34.467 6.515 1.00 27.31 O HETATM 2672 O HOH 348 53.496 73.239 12.774 1.00 33.40 O HETATM 2673 O HOH 349 56.596 67.903 19.133 1.00 30.67 O HETATM 2674 O HOH 350 56.632 60.090 16.315 1.00 31.67 O HETATM 2675 O HOH 351 61.237 66.436 12.905 1.00 30.84 O HETATM 2676 O HOH 352 53.917 55.911 0.040 1.00 32.70 O HETATM 2677 O HOH 353 47.704 46.048 4.713 1.00 31.82 O HETATM 2678 O HOH 354 56.709 55.914 4.491 1.00 33.02 O HETATM 2679 O HOH 355 46.977 46.812 8.193 1.00 32.39 O HETATM 2680 O HOH 356 55.556 41.413 3.108 1.00 32.18 O HETATM 2681 O HOH 357 40.377 37.628 7.288 1.00 32.64 O HETATM 2682 O HOH 358 40.037 35.751 5.603 1.00 32.48 O HETATM 2683 O HOH 359 37.287 30.579 13.687 1.00 32.29 O HETATM 2684 O HOH 360 40.648 41.989 4.621 1.00 34.80 O HETATM 2685 O HOH 361 38.631 41.897 1.705 1.00 33.99 O HETATM 2686 O HOH 362 45.139 52.796 -3.725 1.00 33.67 O HETATM 2687 O HOH 363 50.046 72.433 2.130 1.00 31.15 O HETATM 2688 O HOH 364 53.011 75.546 0.608 1.00 32.46 O HETATM 2689 O HOH 365 52.341 69.350 5.263 1.00 32.17 O HETATM 2690 O HOH 366 28.554 38.671 11.903 1.00 34.10 O HETATM 2691 O HOH 367 24.706 40.621 12.684 1.00 31.48 O HETATM 2692 O HOH 368 31.720 43.242 30.754 1.00 32.78 O HETATM 2693 O HOH 369 31.590 49.390 26.350 1.00 32.94 O HETATM 2694 O HOH 370 25.548 39.686 27.904 1.00 31.45 O HETATM 2695 O HOH 371 31.308 53.325 22.324 1.00 31.27 O HETATM 2696 O HOH 372 22.821 38.761 28.586 1.00 33.48 O HETATM 2697 O HOH 373 23.542 47.834 20.731 1.00 32.38 O HETATM 2698 O HOH 374 29.901 36.083 18.321 1.00 32.57 O HETATM 2699 O HOH 375 28.171 34.660 27.923 1.00 31.86 O HETATM 2700 O HOH 376 19.169 35.437 18.219 1.00 32.39 O HETATM 2701 O HOH 377 23.785 36.242 16.251 1.00 32.22 O HETATM 2702 O HOH 378 22.396 26.801 23.249 1.00 32.72 O HETATM 2703 O HOH 379 29.763 25.822 26.006 1.00 33.15 O HETATM 2704 O HOH 380 36.663 28.212 26.482 1.00 33.59 O HETATM 2705 O HOH 381 28.944 27.395 21.003 1.00 31.95 O HETATM 2706 O HOH 382 36.981 24.435 19.815 1.00 31.69 O HETATM 2707 O HOH 383 38.062 26.603 20.647 1.00 31.69 O HETATM 2708 O HOH 384 61.386 55.388 33.111 1.00 25.20 O HETATM 2709 O HOH 385 35.374 32.734 17.731 1.00 32.50 O HETATM 2710 O HOH 386 38.726 27.086 18.197 1.00 32.37 O HETATM 2711 O HOH 387 32.516 35.955 17.402 1.00 33.02 O HETATM 2712 O HOH 388 55.266 28.883 13.825 1.00 30.63 O HETATM 2713 O HOH 389 53.175 31.820 9.367 1.00 33.05 O HETATM 2714 O HOH 390 55.936 37.320 6.616 1.00 32.89 O HETATM 2715 O HOH 391 59.612 39.543 16.959 1.00 32.61 O HETATM 2716 O HOH 392 60.709 29.990 21.029 1.00 32.54 O HETATM 2717 O HOH 393 64.035 39.157 20.533 1.00 30.77 O HETATM 2718 O HOH 394 55.014 51.882 18.961 1.00 33.34 O HETATM 2719 O HOH 395 50.616 51.060 19.061 1.00 32.62 O HETATM 2720 O HOH 396 50.804 44.927 23.404 1.00 32.44 O HETATM 2721 O HOH 397 42.704 53.560 27.077 1.00 32.94 O HETATM 2722 O HOH 398 29.418 35.616 10.058 1.00 32.16 O HETATM 2723 O HOH 399 31.069 32.391 13.609 1.00 31.38 O HETATM 2724 O HOH 400 42.250 58.328 30.083 1.00 32.55 O HETATM 2725 O HOH 401 41.157 60.443 29.803 1.00 31.86 O HETATM 2726 O HOH 402 62.909 52.917 35.398 1.00 32.36 O HETATM 2727 O HOH 403 63.630 42.376 31.550 1.00 31.01 O HETATM 2728 O HOH 404 65.319 50.089 22.322 1.00 34.66 O HETATM 2729 O HOH 405 66.142 47.240 23.520 1.00 32.81 O HETATM 2730 O HOH 406 64.095 42.583 24.134 1.00 32.25 O HETATM 2731 O HOH 407 53.209 58.470 41.567 1.00 31.13 O HETATM 2732 O HOH 408 60.019 54.100 31.486 1.00 32.16 O HETATM 2733 O HOH 409 56.631 56.495 28.754 1.00 33.09 O HETATM 2734 O HOH 410 65.806 54.657 21.687 1.00 33.43 O HETATM 2735 O HOH 411 68.367 53.952 23.172 1.00 32.37 O HETATM 2736 O HOH 412 64.306 50.474 19.229 1.00 33.75 O HETATM 2737 O HOH 413 66.788 49.882 18.811 1.00 32.49 O HETATM 2738 O HOH 414 52.968 45.715 23.514 1.00 30.75 O HETATM 2739 O HOH 415 62.768 42.028 26.635 1.00 32.83 O HETATM 2740 O HOH 416 58.770 36.131 21.366 1.00 33.10 O HETATM 2741 O HOH 417 33.542 27.748 33.261 1.00 32.15 O HETATM 2742 O HOH 418 38.472 50.870 30.031 1.00 33.16 O HETATM 2743 O HOH 419 32.033 49.860 33.910 1.00 31.20 O HETATM 2744 O HOH 420 34.836 51.108 36.214 1.00 32.00 O HETATM 2745 O HOH 421 29.364 49.479 33.098 1.00 32.19 O HETATM 2746 O HOH 422 46.430 47.103 41.045 1.00 33.48 O HETATM 2747 O HOH 423 39.044 54.241 43.315 1.00 30.74 O HETATM 2748 O HOH 424 42.705 54.562 40.473 1.00 31.38 O HETATM 2749 O HOH 425 55.313 55.900 36.589 1.00 31.59 O HETATM 2750 O HOH 426 47.935 61.416 32.968 1.00 31.39 O HETATM 2751 O HOH 427 50.382 51.223 45.002 1.00 31.92 O HETATM 2752 O HOH 428 53.492 52.645 47.241 1.00 32.44 O HETATM 2753 O HOH 429 51.123 56.011 46.349 1.00 32.76 O HETATM 2754 O HOH 430 53.458 54.339 49.558 1.00 32.19 O HETATM 2755 O HOH 431 56.422 39.046 46.547 1.00 32.10 O HETATM 2756 O HOH 432 47.057 37.249 42.591 1.00 32.28 O HETATM 2757 O HOH 433 42.706 35.351 41.656 1.00 32.30 O HETATM 2758 O HOH 434 35.910 32.607 38.555 1.00 33.32 O HETATM 2759 O HOH 435 35.574 24.631 37.270 1.00 31.44 O HETATM 2760 O HOH 436 40.253 22.691 32.783 1.00 33.55 O HETATM 2761 O HOH 437 44.530 19.270 25.912 1.00 31.78 O HETATM 2762 O HOH 438 50.052 27.985 36.352 1.00 30.92 O HETATM 2763 O HOH 439 52.434 29.931 35.430 1.00 32.92 O HETATM 2764 O HOH 440 49.391 22.179 35.038 1.00 32.56 O HETATM 2765 O HOH 441 50.035 30.592 40.332 1.00 31.64 O HETATM 2766 O HOH 442 55.190 30.342 40.825 1.00 31.32 O HETATM 2767 O HOH 443 66.056 38.007 28.093 1.00 31.64 O HETATM 2768 O HOH 444 56.184 25.315 25.405 1.00 31.03 O HETATM 2769 O HOH 445 56.097 20.601 19.690 1.00 32.63 O HETATM 2770 O HOH 446 51.174 22.060 23.200 1.00 32.27 O HETATM 2771 O HOH 447 46.006 16.888 24.526 1.00 32.75 O HETATM 2772 O HOH 448 46.954 14.945 22.897 1.00 31.85 O HETATM 2773 O HOH 449 55.778 54.461 24.893 1.00 25.56 O HETATM 2774 O HOH 450 61.404 40.357 20.498 1.00 23.44 O HETATM 2775 O HOH 451 60.816 41.604 33.584 1.00 25.04 O HETATM 2776 O HOH 452 49.646 21.618 29.231 1.00 22.94 O HETATM 2777 O HOH 453 30.931 21.380 18.405 1.00 26.24 O HETATM 2778 O HOH 454 31.804 53.531 32.221 1.00 33.58 O HETATM 2779 O HOH 455 30.036 55.255 33.127 1.00 33.35 O HETATM 2780 O HOH 456 24.685 50.487 30.353 1.00 32.78 O HETATM 2781 O HOH 457 21.048 53.748 27.210 1.00 33.23 O HETATM 2782 O HOH 458 21.909 50.894 29.911 1.00 32.13 O HETATM 2783 O HOH 459 23.079 53.467 31.231 1.00 32.70 O HETATM 2784 O HOH 460 27.786 40.496 28.149 1.00 32.00 O HETATM 2785 O HOH 461 31.326 27.454 34.152 1.00 32.05 O HETATM 2786 O HOH 462 37.349 37.455 6.849 1.00 31.70 O HETATM 2787 O HOH 463 22.794 49.195 12.944 1.00 32.84 O HETATM 2788 O HOH 464 24.699 33.129 12.891 1.00 32.71 O HETATM 2789 O HOH 465 42.107 21.715 37.929 1.00 32.98 O HETATM 2790 O HOH 466 42.519 23.476 40.149 1.00 31.61 O HETATM 2791 O HOH 467 31.720 21.232 32.653 1.00 33.28 O HETATM 2792 O HOH 468 44.047 21.687 42.518 1.00 32.94 O HETATM 2793 O HOH 469 66.370 35.144 22.128 1.00 31.86 O HETATM 2794 O HOH 470 62.881 28.559 25.225 1.00 33.27 O HETATM 2795 O HOH 471 54.537 25.897 15.214 1.00 31.90 O HETATM 2796 O HOH 472 56.168 21.543 15.101 1.00 31.56 O HETATM 2797 O HOH 473 46.711 21.372 27.157 1.00 32.11 O HETATM 2798 O HOH 474 41.471 64.206 -0.798 1.00 25.81 O HETATM 2799 O HOH 475 33.469 58.026 -1.739 1.00 25.92 O HETATM 2800 O HOH 476 25.809 58.279 23.679 1.00 32.48 O HETATM 2801 O HOH 477 50.787 65.136 13.823 1.00 25.78 O HETATM 2802 O HOH 478 52.813 51.804 15.328 1.00 26.46 O HETATM 2803 O HOH 479 50.241 52.899 15.693 1.00 26.20 O HETATM 2804 O HOH 480 26.504 45.937 15.325 1.00 27.47 O HETATM 2805 O HOH 481 58.688 46.850 15.592 1.00 28.23 O HETATM 2806 O HOH 482 51.131 49.256 16.841 1.00 27.56 O HETATM 2807 O HOH 483 34.026 29.645 38.212 1.00 28.85 O HETATM 2808 O HOH 484 28.944 33.165 32.809 1.00 28.73 O HETATM 2809 O HOH 485 52.119 28.917 28.357 1.00 27.91 O HETATM 2810 O HOH 486 50.244 27.337 29.113 1.00 26.04 O HETATM 2811 O HOH 487 55.325 29.887 30.011 1.00 25.60 O HETATM 2812 O HOH 488 59.542 30.801 37.926 1.00 25.53 O HETATM 2813 O HOH 489 59.001 26.560 21.426 1.00 25.11 O HETATM 2814 O HOH 490 27.132 60.881 13.289 1.00 28.63 O HETATM 2815 O HOH 491 26.298 27.673 27.536 1.00 32.69 O HETATM 2816 O HOH 492 34.949 26.811 30.902 1.00 32.97 O HETATM 2817 O HOH 493 25.324 59.205 10.187 1.00 28.60 O HETATM 2818 O HOH 494 43.427 57.490 22.313 1.00 29.55 O HETATM 2819 O HOH 495 46.845 59.309 21.978 1.00 27.94 O HETATM 2820 O HOH 496 27.358 49.500 4.453 1.00 26.51 O HETATM 2821 O HOH 497 51.905 73.195 11.010 1.00 29.00 O HETATM 2822 O HOH 498 54.924 67.318 11.718 1.00 26.99 O HETATM 2823 O HOH 499 48.099 62.278 15.194 1.00 25.28 O HETATM 2824 O HOH 500 55.924 64.825 17.296 1.00 24.44 O HETATM 2825 O HOH 501 60.790 51.629 8.402 1.00 27.92 O HETATM 2826 O HOH 502 59.878 56.942 5.161 1.00 26.86 O HETATM 2827 O HOH 503 35.979 50.187 29.516 1.00 26.77 O HETATM 2828 O HOH 504 21.460 35.514 27.597 1.00 26.47 O HETATM 2829 O HOH 505 25.380 31.730 26.631 1.00 26.53 O HETATM 2830 O HOH 506 54.575 54.744 14.369 1.00 33.75 O HETATM 2831 O HOH 507 55.392 33.059 15.152 1.00 26.31 O HETATM 2832 O HOH 508 63.219 34.439 14.418 1.00 25.53 O HETATM 2833 O HOH 509 57.878 43.317 7.819 1.00 25.40 O HETATM 2834 O HOH 510 47.690 51.683 18.252 1.00 25.61 O HETATM 2835 O HOH 511 54.986 53.360 34.838 1.00 23.69 O HETATM 2836 O HOH 512 64.169 54.234 26.647 1.00 28.08 O HETATM 2837 O HOH 513 61.694 57.129 23.792 1.00 27.39 O HETATM 2838 O HOH 514 26.629 38.409 33.768 1.00 26.95 O HETATM 2839 O HOH 515 37.219 44.373 36.490 1.00 28.73 O HETATM 2840 O HOH 516 50.252 53.382 44.546 1.00 24.45 O HETATM 2841 O HOH 517 54.638 51.654 42.266 1.00 25.19 O HETATM 2842 O HOH 518 33.902 35.418 32.637 1.00 27.12 O HETATM 2843 O HOH 519 32.979 23.395 33.368 1.00 22.05 O HETATM 2844 O HOH 520 32.899 23.474 37.500 1.00 26.33 O HETATM 2845 O HOH 521 28.952 25.489 39.476 1.00 26.25 O HETATM 2846 O HOH 522 36.046 27.102 36.442 1.00 27.00 O HETATM 2847 O HOH 523 37.732 27.968 28.779 1.00 24.14 O HETATM 2848 O HOH 524 40.861 22.672 30.519 1.00 29.73 O HETATM 2849 O HOH 525 46.826 24.243 29.187 1.00 27.24 O HETATM 2850 O HOH 526 50.890 24.329 32.442 1.00 25.07 O HETATM 2851 O HOH 527 51.719 34.674 36.047 1.00 27.45 O HETATM 2852 O HOH 528 64.738 37.968 26.112 1.00 27.98 O HETATM 2853 O HOH 529 60.969 33.515 25.089 1.00 25.32 O HETATM 2854 O HOH 530 53.215 22.684 25.180 1.00 28.37 O HETATM 2855 O HOH 531 41.599 22.756 18.078 1.00 28.41 O HETATM 2856 O HOH 532 44.278 18.701 23.454 1.00 28.09 O HETATM 2857 O HOH 533 48.082 18.800 27.606 1.00 28.63 O HETATM 2858 O HOH 534 42.664 14.263 18.695 1.00 25.00 O HETATM 2859 O HOH 535 45.466 14.443 20.282 1.00 27.26 O HETATM 2860 O HOH 536 51.851 54.540 -4.047 1.00 23.27 O HETATM 2861 O HOH 537 46.866 60.964 23.653 1.00 26.14 O HETATM 2862 O HOH 538 43.610 60.618 24.366 1.00 27.79 O HETATM 2863 O HOH 539 38.843 60.221 10.049 1.00 28.41 O HETATM 2864 O HOH 540 36.286 46.026 2.119 1.00 27.23 O HETATM 2865 O HOH 541 60.870 60.704 12.746 1.00 26.63 O HETATM 2866 O HOH 542 53.565 55.523 2.612 1.00 24.42 O HETATM 2867 O HOH 543 47.055 46.640 2.475 1.00 27.32 O HETATM 2868 O HOH 544 48.419 44.850 6.679 1.00 27.37 O HETATM 2869 O HOH 545 50.240 68.605 4.433 1.00 27.59 O HETATM 2870 O HOH 546 54.367 70.803 3.563 1.00 27.24 O HETATM 2871 O HOH 547 54.495 72.347 5.576 1.00 25.26 O HETATM 2872 O HOH 548 19.278 34.566 23.890 1.00 26.16 O HETATM 2873 O HOH 549 63.397 46.048 12.039 1.00 25.24 O HETATM 2874 O HOH 550 52.372 52.633 21.033 1.00 26.25 O HETATM 2875 O HOH 551 41.478 49.578 15.604 1.00 28.00 O HETATM 2876 O HOH 552 26.163 38.512 12.343 1.00 24.58 O HETATM 2877 O HOH 553 50.466 55.112 29.719 1.00 25.95 O HETATM 2878 O HOH 554 48.011 53.835 31.260 1.00 26.65 O HETATM 2879 O HOH 555 48.852 47.803 25.423 1.00 26.88 O HETATM 2880 O HOH 556 57.384 47.097 36.798 1.00 28.15 O HETATM 2881 O HOH 557 63.653 43.276 21.140 1.00 25.83 O HETATM 2882 O HOH 558 36.582 54.276 43.598 1.00 27.21 O HETATM 2883 O HOH 559 50.342 55.890 38.786 1.00 27.65 O HETATM 2884 O HOH 560 58.932 47.213 39.841 1.00 26.63 O HETATM 2885 O HOH 561 52.699 35.466 39.952 1.00 26.37 O HETATM 2886 O HOH 562 41.924 30.690 40.668 1.00 27.90 O HETATM 2887 O HOH 563 32.899 22.004 29.544 1.00 27.20 O HETATM 2888 O HOH 564 45.702 17.796 32.565 1.00 29.26 O HETATM 2889 O HOH 565 36.730 64.754 -8.280 1.00 29.50 O HETATM 2890 O HOH 566 42.601 68.514 0.010 1.00 29.50 O HETATM 2891 O HOH 567 27.781 60.579 18.569 1.00 29.50 O HETATM 2892 O HOH 568 40.026 53.145 16.803 1.00 29.50 O HETATM 2893 O HOH 569 22.415 46.071 -0.246 1.00 29.50 O HETATM 2894 O HOH 570 33.245 44.754 -0.290 1.00 29.50 O HETATM 2895 O HOH 571 41.497 66.166 14.554 1.00 29.50 O HETATM 2896 O HOH 572 48.739 70.135 20.469 1.00 29.50 O HETATM 2897 O HOH 573 53.661 72.204 8.424 1.00 29.50 O HETATM 2898 O HOH 574 56.833 70.326 17.882 1.00 29.50 O HETATM 2899 O HOH 575 59.857 62.369 16.056 1.00 29.50 O HETATM 2900 O HOH 576 59.148 70.235 4.974 1.00 29.51 O HETATM 2901 O HOH 577 60.201 56.108 13.707 1.00 29.50 O HETATM 2902 O HOH 578 62.257 55.374 2.273 1.00 29.50 O HETATM 2903 O HOH 579 57.484 45.437 9.329 1.00 29.50 O HETATM 2904 O HOH 580 47.031 42.986 5.940 1.00 29.50 O HETATM 2905 O HOH 581 47.103 69.858 -4.280 1.00 29.50 O HETATM 2906 O HOH 582 46.882 72.684 -2.454 1.00 29.50 O HETATM 2907 O HOH 583 46.182 75.319 -0.411 1.00 29.50 O HETATM 2908 O HOH 584 53.579 66.783 -0.922 1.00 29.50 O HETATM 2909 O HOH 585 36.446 42.042 5.302 1.00 29.50 O HETATM 2910 O HOH 586 28.732 44.109 5.781 1.00 29.50 O HETATM 2911 O HOH 587 27.832 45.426 18.355 1.00 29.50 O HETATM 2912 O HOH 588 62.227 40.408 17.066 1.00 29.50 O HETATM 2913 O HOH 589 52.272 52.076 17.687 1.00 29.50 O HETATM 2914 O HOH 590 56.735 55.818 18.811 1.00 29.50 O HETATM 2915 O HOH 591 62.370 55.455 28.488 1.00 29.50 O HETATM 2916 O HOH 592 53.557 51.859 27.447 1.00 29.48 O HETATM 2917 O HOH 593 58.091 57.557 30.271 1.00 29.50 O HETATM 2918 O HOH 594 60.611 59.299 32.913 1.00 29.50 O HETATM 2919 O HOH 595 63.040 57.359 33.895 1.00 29.50 O HETATM 2920 O HOH 596 57.893 57.628 24.852 1.00 29.50 O HETATM 2921 O HOH 597 32.237 49.379 30.401 1.00 29.50 O HETATM 2922 O HOH 598 38.767 51.867 35.601 1.00 29.50 O HETATM 2923 O HOH 599 42.084 55.198 32.860 1.00 29.50 O HETATM 2924 O HOH 600 56.002 56.854 40.766 1.00 29.50 O HETATM 2925 O HOH 601 48.554 55.836 43.464 1.00 29.50 O HETATM 2926 O HOH 602 45.282 44.942 41.590 1.00 29.50 O HETATM 2927 O HOH 603 30.468 34.629 39.145 1.00 29.50 O HETATM 2928 O HOH 604 29.470 28.440 32.264 1.00 29.51 O HETATM 2929 O HOH 605 35.587 24.011 40.038 1.00 29.50 O HETATM 2930 O HOH 606 62.420 31.018 26.576 1.00 27.55 O HETATM 2931 O HOH 607 66.118 31.671 28.646 1.00 29.50 O HETATM 2932 O HOH 608 61.739 26.764 28.906 1.00 29.50 O HETATM 2933 O HOH 609 59.509 25.530 24.862 1.00 29.50 O HETATM 2934 O HOH 610 61.186 36.007 21.792 1.00 29.50 O HETATM 2935 O HOH 611 58.332 28.906 16.434 1.00 29.50 O HETATM 2936 O HOH 612 49.728 56.182 12.587 1.00 28.24 O HETATM 2937 O HOH 613 47.918 54.139 12.281 1.00 28.82 O HETATM 2938 O HOH 614 47.281 53.673 25.456 1.00 25.24 O HETATM 2939 O HOH 615 35.266 52.757 22.208 1.00 26.20 O HETATM 2940 O HOH 616 37.991 57.284 21.575 1.00 25.88 O HETATM 2941 O HOH 617 38.087 60.874 23.042 1.00 26.88 O HETATM 2942 O HOH 618 26.595 43.581 33.148 1.00 29.50 O HETATM 2943 O HOH 619 23.649 45.778 34.597 1.00 29.50 O HETATM 2944 O HOH 620 22.042 45.741 30.934 1.00 29.50 O HETATM 2945 O HOH 621 24.357 50.766 32.682 1.00 29.50 O HETATM 2946 O HOH 622 39.344 53.359 32.338 1.00 29.50 O HETATM 2947 O HOH 623 25.315 29.166 20.755 1.00 29.50 O HETATM 2948 O HOH 624 19.243 46.305 28.021 1.00 29.50 O HETATM 2949 O HOH 625 24.887 42.336 30.085 1.00 29.52 O HETATM 2950 O HOH 626 18.701 48.523 29.703 1.00 29.49 O HETATM 2951 O HOH 627 33.267 46.582 31.327 1.00 29.49 O HETATM 2952 O HOH 628 59.264 50.194 13.614 1.00 29.50 O HETATM 2953 O HOH 629 26.482 44.100 12.271 1.00 29.58 O HETATM 2954 O HOH 630 41.085 65.339 -10.704 1.00 27.51 O HETATM 2955 O HOH 631 44.011 63.938 -3.884 1.00 20.88 O HETATM 2956 O HOH 632 27.288 50.449 15.284 1.00 20.88 O HETATM 2957 O HOH 633 28.736 53.632 15.123 1.00 20.88 O HETATM 2958 O HOH 634 33.567 55.400 23.436 1.00 20.88 O HETATM 2959 O HOH 635 44.780 55.420 20.157 1.00 20.88 O HETATM 2960 O HOH 636 36.884 57.053 25.305 1.00 20.88 O HETATM 2961 O HOH 637 49.830 60.594 26.202 1.00 20.88 O HETATM 2962 O HOH 638 27.590 46.639 -0.289 1.00 20.88 O HETATM 2963 O HOH 639 51.360 57.633 17.308 1.00 20.88 O HETATM 2964 O HOH 640 48.271 68.169 10.397 1.00 20.88 O HETATM 2965 O HOH 641 50.107 50.889 14.507 1.00 20.88 O HETATM 2966 O HOH 642 61.525 58.712 14.108 1.00 20.88 O HETATM 2967 O HOH 643 51.561 73.277 5.654 1.00 20.88 O HETATM 2968 O HOH 644 50.818 74.272 3.566 1.00 20.88 O HETATM 2969 O HOH 645 48.027 66.230 7.906 1.00 20.88 O HETATM 2970 O HOH 646 29.513 46.549 20.281 1.00 20.88 O HETATM 2971 O HOH 647 29.896 49.696 18.099 1.00 20.88 O HETATM 2972 O HOH 648 57.211 52.477 22.931 1.00 20.88 O HETATM 2973 O HOH 649 34.210 47.612 41.619 1.00 20.88 O HETATM 2974 O HOH 650 47.467 58.787 43.447 1.00 20.88 O HETATM 2975 O HOH 651 53.360 60.301 33.800 1.00 20.88 O HETATM 2976 O HOH 652 52.623 58.783 46.046 1.00 20.88 O HETATM 2977 O HOH 653 27.259 26.028 30.474 1.00 20.88 O HETATM 2978 O HOH 654 39.693 24.282 28.883 1.00 20.88 O HETATM 2979 O HOH 655 38.386 22.148 18.851 1.00 20.88 O HETATM 2980 O HOH 656 26.486 51.977 30.158 1.00 20.88 O HETATM 2981 O HOH 657 18.765 41.877 13.921 1.00 20.88 O HETATM 2982 O HOH 658 20.386 40.161 12.555 1.00 20.88 O HETATM 2983 O HOH 659 21.967 42.114 10.747 1.00 20.88 O HETATM 2984 O HOH 660 25.504 35.621 31.916 1.00 20.88 O HETATM 2985 O HOH 661 35.014 23.445 18.766 1.00 20.88 O HETATM 2986 O HOH 662 32.664 29.370 15.176 1.00 20.88 O HETATM 2987 O HOH 663 53.783 59.494 20.509 1.00 20.88 O HETATM 2988 C1 L A 7 34.362 50.805 14.603 1.00 0.04 C HETATM 2989 C2 L A 7 34.200 51.554 15.871 1.00 -0.04 C HETATM 2990 C3 L A 7 32.865 51.601 16.497 1.00 -0.06 C HETATM 2991 C4 L A 7 31.714 50.927 15.844 1.00 -0.06 C HETATM 2992 C5 L A 7 31.871 50.200 14.563 1.00 -0.06 C HETATM 2993 C6 L A 7 33.199 50.120 13.935 1.00 -0.04 C HETATM 2994 H6 L A 7 33.338 49.577 13.007 1.00 0.07 H HETATM 2995 H5 L A 7 31.015 49.731 14.092 1.00 0.06 H HETATM 2996 H4 L A 7 30.738 50.968 16.315 1.00 0.07 H HETATM 2997 H2 L A 7 32.724 52.128 17.434 1.00 0.06 H HETATM 2998 H1 L A 7 35.044 52.057 16.329 1.00 0.07 H HETATM 2999 C7 L A 7 35.776 50.816 14.064 1.00 0.20 C HETATM 3000 N2 L A 7 35.881 50.064 12.912 1.00 -0.23 N HETATM 3001 C11 L A 7 37.071 49.950 12.263 1.00 0.14 C HETATM 3002 C10 L A 7 38.256 50.521 12.710 1.00 0.05 C HETATM 3003 C9 L A 7 39.492 50.334 11.927 1.00 -0.00 C HETATM 3004 C8 L A 7 39.559 49.583 10.666 1.00 0.05 C HETATM 3005 N3 L A 7 38.317 48.999 10.260 1.00 -0.22 N HETATM 3006 C12 L A 7 37.094 49.177 10.995 1.00 0.29 C HETATM 3007 O1 L A 7 36.047 48.725 10.588 1.00 -0.35 O HETATM 3008 H3 L A 7 38.299 48.443 9.429 1.00 0.24 H HETATM 3009 H7 L A 7 40.477 49.479 10.089 1.00 0.11 H HETATM 3010 C16 L A 7 40.784 51.028 12.445 1.00 -0.03 C HETATM 3011 C15 L A 7 42.148 50.506 11.968 1.00 -0.04 C HETATM 3012 C14 L A 7 43.361 51.102 12.482 1.00 -0.00 C HETATM 3013 N1 L A 7 43.185 52.167 13.425 1.00 -0.31 N HETATM 3014 C13 L A 7 41.938 52.717 13.924 1.00 -0.00 C HETATM 3015 C17 L A 7 40.694 52.146 13.435 1.00 -0.04 C HETATM 3016 H13 L A 7 39.734 52.517 13.776 1.00 0.06 H HETATM 3017 H10 L A 7 41.934 53.530 14.641 1.00 0.08 H HETATM 3018 H11 L A 7 44.343 50.764 12.173 1.00 0.08 H HETATM 3019 H12 L A 7 42.201 49.696 11.250 1.00 0.06 H HETATM 3020 H8 L A 7 38.082 51.605 12.780 1.00 0.07 H HETATM 3021 H9 L A 7 38.448 50.115 13.714 1.00 0.07 H HETATM 3022 O2 L A 7 36.643 51.445 14.670 1.00 -0.37 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1345 1346 1351 1352 1353 CONECT 1352 1345 CONECT 1353 1345 CONECT 2988 2989 2993 2999 CONECT 2989 2988 2990 2998 CONECT 2990 2989 2991 2997 CONECT 2991 2990 2992 2996 CONECT 2992 2991 2993 2995 CONECT 2993 2988 2992 2994 CONECT 2994 2993 CONECT 2995 2992 CONECT 2996 2991 CONECT 2997 2990 CONECT 2998 2989 CONECT 2999 2988 3000 3022 CONECT 3000 2999 3001 CONECT 3001 3000 3002 3006 CONECT 3002 3001 3003 3020 3021 CONECT 3003 3002 3004 3010 CONECT 3004 3003 3005 3009 CONECT 3005 3004 3006 3008 CONECT 3006 3001 3005 3007 CONECT 3007 3006 CONECT 3008 3005 CONECT 3009 3004 CONECT 3010 3003 3011 3015 CONECT 3011 3010 3012 3019 CONECT 3012 3011 3013 3018 CONECT 3013 3012 3014 CONECT 3014 3013 3015 3017 CONECT 3015 3010 3014 3016 CONECT 3016 3015 CONECT 3017 3014 CONECT 3018 3012 CONECT 3019 3011 CONECT 3020 3002 CONECT 3021 3002 CONECT 3022 2999 MASTER 0 0 0 0 0 0 0 0 3020 2 42 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3qgw
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%
3qgy
RCSB PDB
PDBbind
286aa, >3QGY_1|Chains... at 100%
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
3qgw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Tyrosine-protein kinase ITK/TSK
Ligand Name
L7A
EC.Number
E.C.2.7.10.2
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=1.3uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Med.Chem. Vol. 54: pp. 2341-2350
Ligand Properties
Formula
C
1
7
H
1
3
N
3
O
2
Molecular Weight
291.304
Exact Mass
291.101
No. of atoms
35
No. of bonds
37
Polar Surface Area
71.42
LOGP Value
1.35 (
Computed with XLOGP3
)
2.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
O=C(c1ccccc1)/N=C/1\CC(=CNC1=O)c1ccncc1
InChI String
InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-9,11H,10H2,(H,19,22)/b20-15+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q08881
Entrez Gene ID
NCBI Entrez Gene ID:
3702
ASD
Information of known allosteric effects of PDB entries
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