Browse entries in the PDBbind-CN Database
HEADER 6BKE_COMPLEX COMPND 6BKE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 TRP GLU ILE ASP PRO LYS ASP LEU THR PHE LEU LYS GLU SEQRES 2 A 86 LEU GLY THR GLY GLN PHE GLY VAL VAL LYS TYR GLY LYS SEQRES 3 A 86 TRP ARG GLY GLN TYR ASP VAL ALA ILE LYS MET ILE LYS SEQRES 4 A 86 GLU GLY SER MET SER GLU ASP GLU PHE ILE GLU GLU ALA SEQRES 5 A 86 LYS VAL MET MET ASN LEU SER HIS GLU LYS LEU VAL GLN SEQRES 6 A 86 LEU TYR GLY VAL CYS THR LYS GLN ARG PRO ILE PHE ILE SEQRES 7 A 86 ILE THR GLU TYR MET ALA ASN GLY SEQRES 1 A 177 LEU LEU ASN TYR LEU ARG GLU MET ARG HIS ARG PHE GLN SEQRES 2 A 177 THR GLN GLN LEU LEU GLU MET CYS LYS ASP VAL CYS GLU SEQRES 3 A 177 ALA MET GLU TYR LEU GLU SER LYS GLN PHE LEU HIS ARG SEQRES 4 A 177 ASP LEU ALA ALA ARG ASN CYS LEU VAL ASN ASP GLN GLY SEQRES 5 A 177 VAL VAL LYS VAL SER ASP PHE GLY LEU SER ARG TYR VAL SEQRES 6 A 177 LEU ASP ASP GLU TYR THR SER SER VAL GLY SER LYS PHE SEQRES 7 A 177 PRO VAL ARG TRP SER PRO PRO GLU VAL LEU MET TYR SER SEQRES 8 A 177 LYS PHE SER SER LYS SER ASP ILE TRP ALA PHE GLY VAL SEQRES 9 A 177 LEU MET TRP GLU ILE TYR SER LEU GLY LYS MET PRO TYR SEQRES 10 A 177 GLU ARG PHE THR ASN SER GLU THR ALA GLU HIS ILE ALA SEQRES 11 A 177 GLN GLY LEU ARG LEU TYR ARG PRO HIS LEU ALA SER GLU SEQRES 12 A 177 LYS VAL TYR THR ILE MET TYR SER CYS TRP HIS GLU LYS SEQRES 13 A 177 ALA ASP GLU ARG PRO THR PHE LYS ILE LEU LEU SER ASN SEQRES 14 A 177 ILE LEU ASP VAL MET ASP GLU ASN HET DVJ A 412 67 ATOM 1 N TRP A 395 29.689 43.208 -0.413 1.00 43.95 N ATOM 2 CA TRP A 395 29.438 43.509 0.991 1.00 45.39 C ATOM 3 C TRP A 395 30.731 43.851 1.728 1.00 37.35 C ATOM 4 O TRP A 395 31.382 42.972 2.294 1.00 24.58 O ATOM 5 CB TRP A 395 28.788 42.311 1.686 1.00 54.57 C ATOM 6 CG TRP A 395 27.365 42.022 1.290 1.00 59.65 C ATOM 7 CD1 TRP A 395 26.414 42.920 0.898 1.00 66.51 C ATOM 8 CD2 TRP A 395 26.741 40.734 1.249 1.00 60.63 C ATOM 9 NE1 TRP A 395 25.236 42.268 0.619 1.00 70.83 N ATOM 10 CE2 TRP A 395 25.412 40.924 0.825 1.00 68.56 C ATOM 11 CE3 TRP A 395 27.178 39.437 1.535 1.00 60.81 C ATOM 12 CZ2 TRP A 395 24.517 39.867 0.681 1.00 69.20 C ATOM 13 CZ3 TRP A 395 26.293 38.390 1.383 1.00 64.09 C ATOM 14 CH2 TRP A 395 24.977 38.610 0.963 1.00 64.97 C ATOM 15 HE1 TRP A 395 24.355 42.721 0.303 1.00 0.00 H ATOM 16 HN3 TRP A 395 30.334 42.395 -0.482 1.00 0.00 H ATOM 17 HN2 TRP A 395 30.122 44.035 -0.872 1.00 0.00 H ATOM 18 HN1 TRP A 395 28.790 42.980 -0.884 1.00 0.00 H ATOM 19 N GLU A 396 31.102 45.128 1.724 1.00 32.27 N ATOM 20 CA GLU A 396 32.256 45.594 2.489 1.00 35.69 C ATOM 21 C GLU A 396 31.814 45.907 3.916 1.00 34.39 C ATOM 22 O GLU A 396 30.987 46.793 4.133 1.00 27.34 O ATOM 23 CB GLU A 396 32.853 46.851 1.853 1.00 31.52 C ATOM 24 CG GLU A 396 34.147 47.337 2.505 1.00 34.01 C ATOM 25 CD GLU A 396 35.378 46.586 2.028 1.00 32.17 C ATOM 26 OE1 GLU A 396 35.346 46.001 0.926 1.00 33.29 O ATOM 27 OE2 GLU A 396 36.388 46.586 2.762 1.00 26.12 O ATOM 28 H GLU A 396 30.557 45.812 1.162 1.00 0.00 H ATOM 29 N ILE A 397 32.357 45.179 4.886 1.00 32.76 N ATOM 30 CA ILE A 397 32.014 45.394 6.289 1.00 27.94 C ATOM 31 C ILE A 397 32.859 46.508 6.886 1.00 19.75 C ATOM 32 O ILE A 397 34.034 46.656 6.551 1.00 19.88 O ATOM 33 CB ILE A 397 32.207 44.102 7.106 1.00 22.01 C ATOM 34 CG1 ILE A 397 31.063 43.141 6.806 1.00 30.24 C ATOM 35 CG2 ILE A 397 32.251 44.387 8.619 1.00 19.82 C ATOM 36 CD1 ILE A 397 31.319 41.715 7.247 1.00 33.53 C ATOM 37 H ILE A 397 33.043 44.438 4.640 1.00 0.00 H ATOM 38 N ASP A 398 32.253 47.283 7.779 1.00 19.23 N ATOM 39 CA ASP A 398 32.974 48.316 8.501 1.00 19.48 C ATOM 40 C ASP A 398 33.640 47.678 9.729 1.00 15.27 C ATOM 41 O ASP A 398 32.945 47.243 10.644 1.00 15.14 O ATOM 42 CB ASP A 398 32.015 49.436 8.909 1.00 23.77 C ATOM 43 CG ASP A 398 32.711 50.567 9.643 1.00 28.05 C ATOM 44 OD1 ASP A 398 33.959 50.563 9.710 1.00 40.08 O ATOM 45 OD2 ASP A 398 32.009 51.469 10.145 1.00 26.58 O ATOM 46 H ASP A 398 31.239 47.147 7.965 1.00 0.00 H ATOM 47 N PRO A 399 34.987 47.606 9.747 1.00 21.60 N ATOM 48 CA PRO A 399 35.716 46.926 10.833 1.00 20.53 C ATOM 49 C PRO A 399 35.399 47.460 12.227 1.00 21.38 C ATOM 50 O PRO A 399 35.709 46.799 13.219 1.00 25.68 O ATOM 51 CB PRO A 399 37.193 47.164 10.483 1.00 19.83 C ATOM 52 CG PRO A 399 37.197 48.250 9.441 1.00 17.20 C ATOM 53 CD PRO A 399 35.902 48.135 8.721 1.00 22.20 C ATOM 54 N LYS A 400 34.787 48.636 12.295 1.00 17.81 N ATOM 55 CA LYS A 400 34.345 49.202 13.561 1.00 21.78 C ATOM 56 C LYS A 400 33.144 48.433 14.104 1.00 21.79 C ATOM 57 O LYS A 400 32.869 48.458 15.306 1.00 23.07 O ATOM 58 CB LYS A 400 33.992 50.676 13.367 1.00 31.01 C ATOM 59 CG LYS A 400 35.188 51.514 12.972 1.00 35.81 C ATOM 60 CD LYS A 400 34.778 52.794 12.277 1.00 44.61 C ATOM 61 CE LYS A 400 34.379 53.874 13.270 1.00 53.32 C ATOM 62 NZ LYS A 400 34.016 55.148 12.592 1.00 54.26 N ATOM 63 HZ1 LYS A 400 34.831 55.493 12.046 1.00 0.00 H ATOM 64 HZ2 LYS A 400 33.213 54.982 11.952 1.00 0.00 H ATOM 65 HZ3 LYS A 400 33.751 55.856 13.306 1.00 0.00 H ATOM 66 H LYS A 400 34.618 49.169 11.418 1.00 0.00 H ATOM 67 N ASP A 401 32.432 47.749 13.213 1.00 15.20 N ATOM 68 CA ASP A 401 31.275 46.957 13.607 1.00 15.00 C ATOM 69 C ASP A 401 31.698 45.580 14.117 1.00 21.59 C ATOM 70 O ASP A 401 30.861 44.791 14.554 1.00 20.51 O ATOM 71 CB ASP A 401 30.306 46.810 12.431 1.00 13.63 C ATOM 72 CG ASP A 401 29.556 48.093 12.122 1.00 20.34 C ATOM 73 OD1 ASP A 401 29.405 48.942 13.028 1.00 22.65 O ATOM 74 OD2 ASP A 401 29.107 48.251 10.967 1.00 22.00 O ATOM 75 H ASP A 401 32.708 47.780 12.211 1.00 0.00 H ATOM 76 N LEU A 402 32.999 45.300 14.073 1.00 20.40 N ATOM 77 CA LEU A 402 33.524 44.011 14.518 1.00 17.98 C ATOM 78 C LEU A 402 34.143 44.097 15.906 1.00 16.73 C ATOM 79 O LEU A 402 34.872 45.041 16.213 1.00 28.13 O ATOM 80 CB LEU A 402 34.586 43.500 13.549 1.00 15.53 C ATOM 81 CG LEU A 402 34.140 43.262 12.112 1.00 19.03 C ATOM 82 CD1 LEU A 402 35.354 42.903 11.279 1.00 21.96 C ATOM 83 CD2 LEU A 402 33.081 42.162 12.046 1.00 13.77 C ATOM 84 H LEU A 402 33.659 46.018 13.712 1.00 0.00 H ATOM 85 N THR A 403 33.853 43.097 16.734 1.00 16.69 N ATOM 86 CA THR A 403 34.472 42.967 18.047 1.00 14.63 C ATOM 87 C THR A 403 35.116 41.592 18.183 1.00 15.71 C ATOM 88 O THR A 403 34.432 40.577 18.123 1.00 24.10 O ATOM 89 CB THR A 403 33.436 43.139 19.170 1.00 22.93 C ATOM 90 OG1 THR A 403 32.890 44.463 19.124 1.00 28.10 O ATOM 91 CG2 THR A 403 34.073 42.900 20.538 1.00 27.12 C ATOM 92 HG1 THR A 403 32.453 44.608 18.248 1.00 0.00 H ATOM 93 H THR A 403 33.160 42.382 16.434 1.00 0.00 H ATOM 94 N PHE A 404 36.437 41.568 18.346 1.00 18.98 N ATOM 95 CA PHE A 404 37.172 40.321 18.540 1.00 22.68 C ATOM 96 C PHE A 404 37.000 39.817 19.969 1.00 23.96 C ATOM 97 O PHE A 404 36.999 40.604 20.915 1.00 25.78 O ATOM 98 CB PHE A 404 38.663 40.529 18.259 1.00 26.88 C ATOM 99 CG PHE A 404 38.988 40.851 16.819 1.00 24.75 C ATOM 100 CD1 PHE A 404 38.029 40.772 15.823 1.00 28.26 C ATOM 101 CD2 PHE A 404 40.273 41.224 16.467 1.00 23.63 C ATOM 102 CE1 PHE A 404 38.347 41.070 14.511 1.00 31.36 C ATOM 103 CE2 PHE A 404 40.594 41.521 15.156 1.00 24.90 C ATOM 104 CZ PHE A 404 39.630 41.443 14.178 1.00 29.80 C ATOM 105 H PHE A 404 36.962 42.466 18.335 1.00 0.00 H ATOM 106 N LEU A 405 36.862 38.503 20.119 1.00 16.61 N ATOM 107 CA LEU A 405 36.625 37.899 21.427 1.00 18.30 C ATOM 108 C LEU A 405 37.561 36.735 21.741 1.00 14.01 C ATOM 109 O LEU A 405 38.092 36.660 22.850 1.00 17.42 O ATOM 110 CB LEU A 405 35.172 37.433 21.525 1.00 21.11 C ATOM 111 CG LEU A 405 34.113 38.540 21.542 1.00 20.77 C ATOM 112 CD1 LEU A 405 32.718 37.934 21.621 1.00 22.36 C ATOM 113 CD2 LEU A 405 34.336 39.517 22.698 1.00 19.62 C ATOM 114 H LEU A 405 36.925 37.889 19.282 1.00 0.00 H ATOM 115 N LYS A 406 37.755 35.827 20.786 1.00 17.12 N ATOM 116 CA LYS A 406 38.544 34.622 21.039 1.00 19.05 C ATOM 117 C LYS A 406 39.311 34.134 19.816 1.00 21.07 C ATOM 118 O LYS A 406 38.861 34.278 18.681 1.00 17.37 O ATOM 119 CB LYS A 406 37.640 33.489 21.533 1.00 28.96 C ATOM 120 CG LYS A 406 36.854 33.785 22.805 1.00 44.82 C ATOM 121 CD LYS A 406 37.761 33.881 24.022 1.00 54.51 C ATOM 122 CE LYS A 406 37.052 34.520 25.202 1.00 58.18 C ATOM 123 NZ LYS A 406 38.014 34.899 26.273 1.00 61.19 N ATOM 124 HZ1 LYS A 406 38.512 34.049 26.607 1.00 0.00 H ATOM 125 HZ2 LYS A 406 38.703 35.579 25.893 1.00 0.00 H ATOM 126 HZ3 LYS A 406 37.497 35.333 27.064 1.00 0.00 H ATOM 127 H LYS A 406 37.339 35.977 19.845 1.00 0.00 H ATOM 128 N GLU A 407 40.476 33.547 20.072 1.00 15.16 N ATOM 129 CA GLU A 407 41.257 32.886 19.039 1.00 26.90 C ATOM 130 C GLU A 407 40.653 31.512 18.762 1.00 24.30 C ATOM 131 O GLU A 407 40.416 30.733 19.687 1.00 26.85 O ATOM 132 CB GLU A 407 42.705 32.727 19.501 1.00 34.13 C ATOM 133 CG GLU A 407 43.405 34.032 19.867 1.00 44.06 C ATOM 134 CD GLU A 407 43.995 34.761 18.672 1.00 46.95 C ATOM 135 OE1 GLU A 407 43.842 34.280 17.531 1.00 43.36 O ATOM 136 OE2 GLU A 407 44.618 35.823 18.880 1.00 54.59 O ATOM 137 H GLU A 407 40.842 33.561 21.046 1.00 0.00 H ATOM 138 N LEU A 408 40.405 31.221 17.489 1.00 14.00 N ATOM 139 CA LEU A 408 39.789 29.959 17.087 1.00 22.27 C ATOM 140 C LEU A 408 40.794 29.014 16.459 1.00 27.33 C ATOM 141 O LEU A 408 40.495 27.840 16.237 1.00 32.25 O ATOM 142 CB LEU A 408 38.676 30.214 16.080 1.00 20.71 C ATOM 143 CG LEU A 408 37.379 30.805 16.614 1.00 19.17 C ATOM 144 CD1 LEU A 408 36.515 31.161 15.420 1.00 15.91 C ATOM 145 CD2 LEU A 408 36.672 29.822 17.546 1.00 16.10 C ATOM 146 H LEU A 408 40.658 31.914 16.756 1.00 0.00 H ATOM 147 N GLY A 409 41.975 29.532 16.149 1.00 30.63 N ATOM 148 CA GLY A 409 43.018 28.714 15.568 1.00 25.17 C ATOM 149 C GLY A 409 43.634 29.324 14.332 1.00 23.30 C ATOM 150 O GLY A 409 43.583 30.537 14.120 1.00 19.57 O ATOM 151 H GLY A 409 42.154 30.541 16.326 1.00 0.00 H ATOM 152 N THR A 410 44.205 28.457 13.505 1.00 18.60 N ATOM 153 CA THR A 410 45.014 28.879 12.377 1.00 16.42 C ATOM 154 C THR A 410 44.690 28.043 11.150 1.00 22.93 C ATOM 155 O THR A 410 44.504 26.829 11.244 1.00 29.35 O ATOM 156 CB THR A 410 46.510 28.731 12.709 1.00 35.64 C ATOM 157 OG1 THR A 410 46.812 29.492 13.885 1.00 38.63 O ATOM 158 CG2 THR A 410 47.381 29.205 11.552 1.00 47.23 C ATOM 159 HG1 THR A 410 47.774 29.398 14.100 1.00 0.00 H ATOM 160 H THR A 410 44.068 27.440 13.671 1.00 0.00 H ATOM 161 N GLY A 411 44.621 28.704 9.999 1.00 19.38 N ATOM 162 CA GLY A 411 44.420 28.022 8.737 1.00 18.14 C ATOM 163 C GLY A 411 45.441 28.449 7.706 1.00 22.34 C ATOM 164 O GLY A 411 46.480 29.023 8.037 1.00 31.64 O ATOM 165 H GLY A 411 44.714 29.740 10.005 1.00 0.00 H ATOM 166 N GLN A 412 45.126 28.172 6.448 1.00 16.66 N ATOM 167 CA GLN A 412 46.048 28.380 5.342 1.00 20.16 C ATOM 168 C GLN A 412 46.338 29.864 5.119 1.00 28.33 C ATOM 169 O GLN A 412 47.354 30.221 4.519 1.00 35.09 O ATOM 170 CB GLN A 412 45.447 27.756 4.083 1.00 29.26 C ATOM 171 CG GLN A 412 46.399 27.622 2.906 1.00 39.60 C ATOM 172 CD GLN A 412 47.582 26.719 3.204 1.00 42.94 C ATOM 173 OE1 GLN A 412 47.448 25.712 3.901 1.00 35.79 O ATOM 174 NE2 GLN A 412 48.748 27.075 2.679 1.00 45.79 N ATOM 175 HE22 GLN A 412 48.815 27.934 2.096 1.00 0.00 H ATOM 176 HE21 GLN A 412 49.594 26.495 2.850 1.00 0.00 H ATOM 177 H GLN A 412 44.180 27.790 6.244 1.00 0.00 H ATOM 178 N PHE A 413 45.440 30.717 5.608 1.00 22.30 N ATOM 179 CA PHE A 413 45.588 32.166 5.499 1.00 21.07 C ATOM 180 C PHE A 413 45.994 32.796 6.823 1.00 20.98 C ATOM 181 O PHE A 413 46.096 34.019 6.930 1.00 19.42 O ATOM 182 CB PHE A 413 44.276 32.793 5.025 1.00 22.98 C ATOM 183 CG PHE A 413 43.932 32.481 3.592 1.00 24.77 C ATOM 184 CD1 PHE A 413 44.919 32.409 2.627 1.00 23.44 C ATOM 185 CD2 PHE A 413 42.623 32.253 3.214 1.00 23.57 C ATOM 186 CE1 PHE A 413 44.608 32.122 1.319 1.00 19.51 C ATOM 187 CE2 PHE A 413 42.309 31.964 1.900 1.00 23.27 C ATOM 188 CZ PHE A 413 43.304 31.899 0.954 1.00 18.80 C ATOM 189 H PHE A 413 44.599 30.336 6.087 1.00 0.00 H ATOM 190 N GLY A 414 46.216 31.964 7.834 1.00 16.98 N ATOM 191 CA GLY A 414 46.706 32.448 9.109 1.00 13.33 C ATOM 192 C GLY A 414 45.661 32.409 10.203 1.00 18.42 C ATOM 193 O GLY A 414 44.868 31.472 10.298 1.00 22.91 O ATOM 194 H GLY A 414 46.035 30.948 7.709 1.00 0.00 H ATOM 195 N VAL A 415 45.655 33.453 11.023 1.00 18.32 N ATOM 196 CA VAL A 415 44.864 33.471 12.245 1.00 17.24 C ATOM 197 C VAL A 415 43.374 33.603 11.965 1.00 25.76 C ATOM 198 O VAL A 415 42.955 34.364 11.092 1.00 25.82 O ATOM 199 CB VAL A 415 45.304 34.625 13.160 1.00 21.01 C ATOM 200 CG1 VAL A 415 44.440 34.683 14.424 1.00 27.31 C ATOM 201 CG2 VAL A 415 46.773 34.467 13.521 1.00 23.82 C ATOM 202 H VAL A 415 46.233 34.284 10.785 1.00 0.00 H ATOM 203 N VAL A 416 42.582 32.855 12.725 1.00 21.61 N ATOM 204 CA VAL A 416 41.133 32.966 12.673 1.00 16.87 C ATOM 205 C VAL A 416 40.618 33.282 14.068 1.00 20.85 C ATOM 206 O VAL A 416 41.020 32.649 15.044 1.00 20.82 O ATOM 207 CB VAL A 416 40.486 31.673 12.175 1.00 14.79 C ATOM 208 CG1 VAL A 416 38.978 31.858 12.046 1.00 10.18 C ATOM 209 CG2 VAL A 416 41.096 31.276 10.840 1.00 13.99 C ATOM 210 H VAL A 416 43.012 32.169 13.378 1.00 0.00 H ATOM 211 N LYS A 417 39.729 34.265 14.153 1.00 22.18 N ATOM 212 CA LYS A 417 39.190 34.707 15.431 1.00 21.16 C ATOM 213 C LYS A 417 37.677 34.611 15.461 1.00 13.94 C ATOM 214 O LYS A 417 37.016 34.766 14.435 1.00 9.99 O ATOM 215 CB LYS A 417 39.582 36.157 15.691 1.00 19.54 C ATOM 216 CG LYS A 417 40.947 36.334 16.302 1.00 25.28 C ATOM 217 CD LYS A 417 41.239 37.807 16.514 1.00 33.17 C ATOM 218 CE LYS A 417 42.519 38.016 17.294 1.00 32.37 C ATOM 219 NZ LYS A 417 43.708 37.494 16.564 1.00 24.14 N ATOM 220 HZ1 LYS A 417 43.591 36.474 16.398 1.00 0.00 H ATOM 221 HZ2 LYS A 417 43.798 37.987 15.653 1.00 0.00 H ATOM 222 HZ3 LYS A 417 44.562 37.658 17.134 1.00 0.00 H ATOM 223 H LYS A 417 39.409 34.733 13.281 1.00 0.00 H ATOM 224 N TYR A 418 37.138 34.370 16.651 1.00 20.76 N ATOM 225 CA TYR A 418 35.708 34.475 16.878 1.00 19.92 C ATOM 226 C TYR A 418 35.401 35.870 17.403 1.00 14.13 C ATOM 227 O TYR A 418 36.132 36.401 18.240 1.00 21.03 O ATOM 228 CB TYR A 418 35.244 33.439 17.897 1.00 17.14 C ATOM 229 CG TYR A 418 34.020 33.868 18.683 1.00 18.91 C ATOM 230 CD1 TYR A 418 32.765 33.898 18.094 1.00 20.47 C ATOM 231 CD2 TYR A 418 34.120 34.244 20.015 1.00 24.47 C ATOM 232 CE1 TYR A 418 31.645 34.291 18.807 1.00 17.33 C ATOM 233 CE2 TYR A 418 33.004 34.638 20.734 1.00 22.37 C ATOM 234 CZ TYR A 418 31.768 34.659 20.125 1.00 23.85 C ATOM 235 OH TYR A 418 30.652 35.050 20.837 1.00 23.78 O ATOM 236 HH TYR A 418 30.527 34.445 21.611 1.00 0.00 H ATOM 237 H TYR A 418 37.757 34.099 17.441 1.00 0.00 H ATOM 238 N GLY A 419 34.319 36.465 16.922 1.00 14.87 N ATOM 239 CA GLY A 419 33.920 37.773 17.393 1.00 18.80 C ATOM 240 C GLY A 419 32.467 38.032 17.087 1.00 18.33 C ATOM 241 O GLY A 419 31.731 37.115 16.723 1.00 17.38 O ATOM 242 H GLY A 419 33.749 35.985 16.196 1.00 0.00 H ATOM 243 N LYS A 420 32.050 39.282 17.239 1.00 16.78 N ATOM 244 CA LYS A 420 30.676 39.657 16.960 1.00 13.84 C ATOM 245 C LYS A 420 30.599 40.797 15.975 1.00 17.68 C ATOM 246 O LYS A 420 31.478 41.657 15.932 1.00 23.57 O ATOM 247 CB LYS A 420 29.961 40.056 18.244 1.00 14.99 C ATOM 248 CG LYS A 420 29.481 38.872 19.026 1.00 21.33 C ATOM 249 CD LYS A 420 28.850 39.287 20.332 1.00 26.01 C ATOM 250 CE LYS A 420 28.479 38.069 21.152 1.00 35.20 C ATOM 251 NZ LYS A 420 27.447 37.240 20.466 1.00 39.38 N ATOM 252 HZ1 LYS A 420 26.590 37.810 20.316 1.00 0.00 H ATOM 253 HZ2 LYS A 420 27.816 36.919 19.548 1.00 0.00 H ATOM 254 HZ3 LYS A 420 27.218 36.415 21.057 1.00 0.00 H ATOM 255 H LYS A 420 32.721 40.007 17.564 1.00 0.00 H ATOM 256 N TRP A 421 29.536 40.788 15.182 1.00 18.87 N ATOM 257 CA TRP A 421 29.245 41.885 14.283 1.00 17.95 C ATOM 258 C TRP A 421 28.065 42.689 14.836 1.00 13.84 C ATOM 259 O TRP A 421 26.984 42.141 15.065 1.00 13.09 O ATOM 260 CB TRP A 421 28.943 41.350 12.886 1.00 28.24 C ATOM 261 CG TRP A 421 28.668 42.432 11.902 1.00 25.43 C ATOM 262 CD1 TRP A 421 29.572 43.291 11.356 1.00 20.15 C ATOM 263 CD2 TRP A 421 27.398 42.781 11.349 1.00 29.87 C ATOM 264 NE1 TRP A 421 28.945 44.154 10.494 1.00 23.72 N ATOM 265 CE2 TRP A 421 27.607 43.861 10.471 1.00 26.04 C ATOM 266 CE3 TRP A 421 26.103 42.284 11.509 1.00 35.45 C ATOM 267 CZ2 TRP A 421 26.571 44.455 9.759 1.00 29.28 C ATOM 268 CZ3 TRP A 421 25.078 42.873 10.799 1.00 33.21 C ATOM 269 CH2 TRP A 421 25.317 43.946 9.936 1.00 31.44 C ATOM 270 HE1 TRP A 421 29.409 44.907 9.947 1.00 0.00 H ATOM 271 H TRP A 421 28.894 39.970 15.207 1.00 0.00 H ATOM 272 N ARG A 422 28.287 43.985 15.048 1.00 18.66 N ATOM 273 CA ARG A 422 27.296 44.874 15.657 1.00 19.57 C ATOM 274 C ARG A 422 26.730 44.322 16.967 1.00 24.68 C ATOM 275 O ARG A 422 25.530 44.418 17.237 1.00 19.91 O ATOM 276 CB ARG A 422 26.181 45.207 14.660 1.00 21.96 C ATOM 277 CG ARG A 422 26.684 46.030 13.489 1.00 20.98 C ATOM 278 CD ARG A 422 25.564 46.578 12.637 1.00 21.96 C ATOM 279 NE ARG A 422 26.084 47.336 11.502 1.00 24.50 N ATOM 280 CZ ARG A 422 25.350 47.731 10.468 1.00 30.76 C ATOM 281 NH1 ARG A 422 24.059 47.435 10.417 1.00 31.67 N ATOM 282 NH2 ARG A 422 25.909 48.417 9.483 1.00 24.29 N ATOM 283 HE ARG A 422 27.094 47.582 11.504 1.00 0.00 H ATOM 284 HH12 ARG A 422 23.486 47.745 9.606 1.00 0.00 H ATOM 285 HH11 ARG A 422 23.619 46.893 11.188 1.00 0.00 H ATOM 286 HH22 ARG A 422 25.334 48.726 8.673 1.00 0.00 H ATOM 287 HH21 ARG A 422 26.923 48.646 9.519 1.00 0.00 H ATOM 288 H ARG A 422 29.206 44.384 14.768 1.00 0.00 H ATOM 289 N GLY A 423 27.616 43.747 17.775 1.00 21.84 N ATOM 290 CA GLY A 423 27.294 43.349 19.134 1.00 22.40 C ATOM 291 C GLY A 423 26.241 42.268 19.289 1.00 29.23 C ATOM 292 O GLY A 423 25.718 42.084 20.390 1.00 41.37 O ATOM 293 H GLY A 423 28.578 43.575 17.419 1.00 0.00 H ATOM 294 N GLN A 424 25.930 41.547 18.212 1.00 29.19 N ATOM 295 CA GLN A 424 24.864 40.543 18.264 1.00 35.77 C ATOM 296 C GLN A 424 25.143 39.257 17.478 1.00 28.06 C ATOM 297 O GLN A 424 24.849 38.166 17.965 1.00 35.88 O ATOM 298 CB GLN A 424 23.538 41.150 17.793 1.00 40.78 C ATOM 299 CG GLN A 424 22.380 40.164 17.809 1.00 53.03 C ATOM 300 CD GLN A 424 21.069 40.798 17.406 1.00 63.03 C ATOM 301 OE1 GLN A 424 20.840 41.982 17.647 1.00 58.92 O ATOM 302 NE2 GLN A 424 20.199 40.013 16.783 1.00 71.64 N ATOM 303 HE22 GLN A 424 20.436 39.017 16.600 1.00 0.00 H ATOM 304 HE21 GLN A 424 19.281 40.394 16.478 1.00 0.00 H ATOM 305 H GLN A 424 26.450 41.699 17.324 1.00 0.00 H ATOM 306 N TYR A 425 25.686 39.377 16.268 1.00 18.52 N ATOM 307 CA TYR A 425 25.867 38.209 15.403 1.00 16.85 C ATOM 308 C TYR A 425 27.226 37.557 15.597 1.00 21.00 C ATOM 309 O TYR A 425 28.260 38.190 15.399 1.00 20.07 O ATOM 310 CB TYR A 425 25.700 38.591 13.933 1.00 17.19 C ATOM 311 CG TYR A 425 24.304 39.057 13.589 1.00 26.22 C ATOM 312 CD1 TYR A 425 23.949 40.388 13.713 1.00 30.20 C ATOM 313 CD2 TYR A 425 23.340 38.163 13.150 1.00 21.53 C ATOM 314 CE1 TYR A 425 22.674 40.817 13.407 1.00 30.00 C ATOM 315 CE2 TYR A 425 22.061 38.584 12.841 1.00 29.99 C ATOM 316 CZ TYR A 425 21.731 39.912 12.971 1.00 30.63 C ATOM 317 OH TYR A 425 20.455 40.333 12.660 1.00 33.73 O ATOM 318 HH TYR A 425 20.386 41.309 12.808 1.00 0.00 H ATOM 319 H TYR A 425 25.986 40.314 15.932 1.00 0.00 H ATOM 320 N ASP A 426 27.215 36.284 15.970 1.00 23.67 N ATOM 321 CA ASP A 426 28.445 35.531 16.149 1.00 22.17 C ATOM 322 C ASP A 426 29.111 35.284 14.802 1.00 21.13 C ATOM 323 O ASP A 426 28.510 34.683 13.910 1.00 23.92 O ATOM 324 CB ASP A 426 28.139 34.202 16.829 1.00 23.73 C ATOM 325 CG ASP A 426 27.743 34.370 18.281 1.00 23.96 C ATOM 326 OD1 ASP A 426 28.124 35.390 18.894 1.00 16.47 O ATOM 327 OD2 ASP A 426 27.051 33.478 18.812 1.00 26.06 O ATOM 328 H ASP A 426 26.303 35.813 16.139 1.00 0.00 H ATOM 329 N VAL A 427 30.349 35.751 14.656 1.00 16.10 N ATOM 330 CA VAL A 427 31.080 35.585 13.406 1.00 14.55 C ATOM 331 C VAL A 427 32.479 35.033 13.605 1.00 23.21 C ATOM 332 O VAL A 427 33.055 35.124 14.690 1.00 17.41 O ATOM 333 CB VAL A 427 31.224 36.918 12.652 1.00 17.91 C ATOM 334 CG1 VAL A 427 29.865 37.423 12.221 1.00 19.18 C ATOM 335 CG2 VAL A 427 31.957 37.954 13.513 1.00 17.51 C ATOM 336 H VAL A 427 30.804 36.245 15.450 1.00 0.00 H ATOM 337 N ALA A 428 33.015 34.472 12.529 1.00 19.98 N ATOM 338 CA ALA A 428 34.407 34.069 12.470 1.00 14.95 C ATOM 339 C ALA A 428 35.110 35.052 11.549 1.00 19.93 C ATOM 340 O ALA A 428 34.551 35.459 10.531 1.00 18.19 O ATOM 341 CB ALA A 428 34.524 32.665 11.931 1.00 13.85 C ATOM 342 H ALA A 428 32.414 34.315 11.695 1.00 0.00 H ATOM 343 N ILE A 429 36.331 35.436 11.904 1.00 14.00 N ATOM 344 CA ILE A 429 37.073 36.422 11.131 1.00 14.60 C ATOM 345 C ILE A 429 38.441 35.874 10.758 1.00 19.65 C ATOM 346 O ILE A 429 39.288 35.634 11.620 1.00 14.71 O ATOM 347 CB ILE A 429 37.238 37.736 11.915 1.00 14.62 C ATOM 348 CG1 ILE A 429 35.867 38.301 12.287 1.00 16.31 C ATOM 349 CG2 ILE A 429 37.998 38.773 11.093 1.00 17.53 C ATOM 350 CD1 ILE A 429 35.643 38.430 13.782 1.00 17.77 C ATOM 351 H ILE A 429 36.767 35.023 12.753 1.00 0.00 H ATOM 352 N LYS A 430 38.645 35.668 9.463 1.00 15.33 N ATOM 353 CA LYS A 430 39.941 35.258 8.955 1.00 14.65 C ATOM 354 C LYS A 430 40.791 36.492 8.705 1.00 20.24 C ATOM 355 O LYS A 430 40.446 37.335 7.880 1.00 19.71 O ATOM 356 CB LYS A 430 39.782 34.471 7.657 1.00 14.79 C ATOM 357 CG LYS A 430 39.288 33.054 7.851 1.00 15.90 C ATOM 358 CD LYS A 430 39.396 32.245 6.571 1.00 14.88 C ATOM 359 CE LYS A 430 38.316 32.626 5.560 1.00 15.19 C ATOM 360 NZ LYS A 430 36.946 32.225 6.000 1.00 17.89 N ATOM 361 HZ1 LYS A 430 36.913 31.194 6.129 1.00 0.00 H ATOM 362 HZ2 LYS A 430 36.721 32.695 6.900 1.00 0.00 H ATOM 363 HZ3 LYS A 430 36.254 32.508 5.277 1.00 0.00 H ATOM 364 H LYS A 430 37.858 35.804 8.797 1.00 0.00 H ATOM 365 N MET A 431 41.897 36.599 9.427 1.00 15.82 N ATOM 366 CA MET A 431 42.831 37.691 9.227 1.00 15.94 C ATOM 367 C MET A 431 43.929 37.205 8.293 1.00 24.94 C ATOM 368 O MET A 431 44.775 36.396 8.671 1.00 26.13 O ATOM 369 CB MET A 431 43.390 38.141 10.571 1.00 16.49 C ATOM 370 CG MET A 431 42.296 38.553 11.539 1.00 25.00 C ATOM 371 SD MET A 431 42.912 38.961 13.175 1.00 48.06 S ATOM 372 CE MET A 431 43.707 40.521 12.833 1.00 46.83 C ATOM 373 H MET A 431 42.100 35.884 10.154 1.00 0.00 H ATOM 374 N ILE A 432 43.892 37.696 7.061 1.00 22.90 N ATOM 375 CA ILE A 432 44.733 37.162 5.998 1.00 20.03 C ATOM 376 C ILE A 432 46.185 37.597 6.148 1.00 20.28 C ATOM 377 O ILE A 432 46.527 38.767 5.970 1.00 21.85 O ATOM 378 CB ILE A 432 44.210 37.580 4.614 1.00 23.40 C ATOM 379 CG1 ILE A 432 42.722 37.233 4.496 1.00 22.89 C ATOM 380 CG2 ILE A 432 45.017 36.903 3.507 1.00 24.83 C ATOM 381 CD1 ILE A 432 42.399 35.740 4.749 1.00 16.37 C ATOM 382 H ILE A 432 43.246 38.483 6.849 1.00 0.00 H ATOM 383 N LYS A 433 47.030 36.631 6.485 1.00 26.41 N ATOM 384 CA LYS A 433 48.468 36.835 6.573 1.00 28.86 C ATOM 385 C LYS A 433 49.021 37.343 5.243 1.00 28.67 C ATOM 386 O LYS A 433 48.689 36.812 4.183 1.00 20.22 O ATOM 387 CB LYS A 433 49.128 35.508 6.944 1.00 25.94 C ATOM 388 CG LYS A 433 50.579 35.361 6.540 1.00 36.31 C ATOM 389 CD LYS A 433 51.063 33.978 6.902 1.00 47.12 C ATOM 390 CE LYS A 433 52.439 33.711 6.344 1.00 58.40 C ATOM 391 NZ LYS A 433 52.870 32.316 6.617 1.00 61.96 N ATOM 392 HZ1 LYS A 433 52.892 32.156 7.644 1.00 0.00 H ATOM 393 HZ2 LYS A 433 52.199 31.655 6.176 1.00 0.00 H ATOM 394 HZ3 LYS A 433 53.820 32.164 6.221 1.00 0.00 H ATOM 395 H LYS A 433 46.648 35.687 6.695 1.00 0.00 H ATOM 396 N GLU A 434 49.869 38.365 5.301 1.00 22.83 N ATOM 397 CA GLU A 434 50.503 38.901 4.101 1.00 29.70 C ATOM 398 C GLU A 434 51.357 37.833 3.421 1.00 29.96 C ATOM 399 O GLU A 434 52.170 37.174 4.070 1.00 37.94 O ATOM 400 CB GLU A 434 51.366 40.118 4.455 1.00 44.25 C ATOM 401 CG GLU A 434 50.602 41.229 5.158 1.00 60.48 C ATOM 402 CD GLU A 434 49.371 41.667 4.391 1.00 68.09 C ATOM 403 OE1 GLU A 434 49.410 41.653 3.142 1.00 61.41 O ATOM 404 OE2 GLU A 434 48.360 42.012 5.037 1.00 76.81 O ATOM 405 H GLU A 434 50.086 38.793 6.224 1.00 0.00 H ATOM 406 N GLY A 435 51.169 37.667 2.114 1.00 34.96 N ATOM 407 CA GLY A 435 51.937 36.702 1.346 1.00 34.35 C ATOM 408 C GLY A 435 51.258 35.353 1.219 1.00 37.28 C ATOM 409 O GLY A 435 51.721 34.495 0.465 1.00 42.08 O ATOM 410 H GLY A 435 50.452 38.244 1.629 1.00 0.00 H ATOM 411 N SER A 436 50.155 35.169 1.939 1.00 20.58 N ATOM 412 CA SER A 436 49.479 33.878 1.977 1.00 22.10 C ATOM 413 C SER A 436 48.382 33.800 0.926 1.00 19.56 C ATOM 414 O SER A 436 47.936 32.708 0.573 1.00 23.97 O ATOM 415 CB SER A 436 48.873 33.630 3.358 1.00 31.14 C ATOM 416 OG SER A 436 47.532 34.073 3.410 1.00 30.69 O ATOM 417 HG SER A 436 47.499 35.044 3.218 1.00 0.00 H ATOM 418 H SER A 436 49.766 35.963 2.487 1.00 0.00 H ATOM 419 N MET A 437 47.952 34.958 0.430 1.00 19.85 N ATOM 420 CA MET A 437 46.843 35.022 -0.515 1.00 19.91 C ATOM 421 C MET A 437 47.158 35.880 -1.730 1.00 20.96 C ATOM 422 O MET A 437 47.881 36.873 -1.635 1.00 26.15 O ATOM 423 CB MET A 437 45.594 35.579 0.176 1.00 19.24 C ATOM 424 CG MET A 437 44.447 35.907 -0.771 1.00 26.99 C ATOM 425 SD MET A 437 43.055 36.673 0.065 1.00 31.72 S ATOM 426 CE MET A 437 42.370 35.259 0.898 1.00 17.98 C ATOM 427 H MET A 437 48.419 35.840 0.724 1.00 0.00 H ATOM 428 N SER A 438 46.589 35.494 -2.868 1.00 21.36 N ATOM 429 CA SER A 438 46.582 36.340 -4.051 1.00 30.54 C ATOM 430 C SER A 438 45.428 37.332 -3.891 1.00 30.80 C ATOM 431 O SER A 438 44.326 37.114 -4.397 1.00 25.61 O ATOM 432 CB SER A 438 46.402 35.490 -5.309 1.00 30.09 C ATOM 433 OG SER A 438 46.396 36.292 -6.474 1.00 38.95 O ATOM 434 HG SER A 438 46.278 35.715 -7.270 1.00 0.00 H ATOM 435 H SER A 438 46.135 34.559 -2.914 1.00 0.00 H ATOM 436 N GLU A 439 45.693 38.408 -3.155 1.00 35.92 N ATOM 437 CA GLU A 439 44.662 39.343 -2.709 1.00 40.06 C ATOM 438 C GLU A 439 43.914 40.039 -3.844 1.00 44.13 C ATOM 439 O GLU A 439 42.681 40.076 -3.846 1.00 46.32 O ATOM 440 CB GLU A 439 45.302 40.384 -1.792 1.00 40.61 C ATOM 441 CG GLU A 439 45.855 39.783 -0.509 1.00 41.19 C ATOM 442 CD GLU A 439 46.465 40.811 0.418 1.00 47.51 C ATOM 443 OE1 GLU A 439 46.529 41.998 0.040 1.00 54.18 O ATOM 444 OE2 GLU A 439 46.886 40.424 1.527 1.00 46.25 O ATOM 445 H GLU A 439 46.680 38.593 -2.884 1.00 0.00 H ATOM 446 N ASP A 440 44.658 40.602 -4.790 1.00 44.09 N ATOM 447 CA ASP A 440 44.059 41.285 -5.931 1.00 48.60 C ATOM 448 C ASP A 440 43.099 40.349 -6.657 1.00 43.13 C ATOM 449 O ASP A 440 41.977 40.727 -7.001 1.00 37.68 O ATOM 450 CB ASP A 440 45.149 41.762 -6.893 1.00 51.01 C ATOM 451 H ASP A 440 45.694 40.554 -4.715 1.00 0.00 H ATOM 452 N GLU A 441 43.547 39.116 -6.861 1.00 41.87 N ATOM 453 CA GLU A 441 42.765 38.103 -7.563 1.00 41.72 C ATOM 454 C GLU A 441 41.501 37.721 -6.795 1.00 44.85 C ATOM 455 O GLU A 441 40.490 37.346 -7.393 1.00 44.97 O ATOM 456 CB GLU A 441 43.626 36.859 -7.784 1.00 45.30 C ATOM 457 CG GLU A 441 42.937 35.736 -8.537 1.00 55.88 C ATOM 458 CD GLU A 441 43.917 34.723 -9.102 1.00 66.75 C ATOM 459 OE1 GLU A 441 45.143 34.943 -8.990 1.00 69.11 O ATOM 460 OE2 GLU A 441 43.463 33.700 -9.657 1.00 69.92 O ATOM 461 H GLU A 441 44.491 38.862 -6.507 1.00 0.00 H ATOM 462 N PHE A 442 41.565 37.822 -5.470 1.00 38.96 N ATOM 463 CA PHE A 442 40.445 37.447 -4.608 1.00 31.12 C ATOM 464 C PHE A 442 39.368 38.521 -4.596 1.00 29.72 C ATOM 465 O PHE A 442 38.174 38.228 -4.701 1.00 26.40 O ATOM 466 CB PHE A 442 40.928 37.209 -3.177 1.00 33.68 C ATOM 467 CG PHE A 442 39.812 37.076 -2.174 1.00 31.51 C ATOM 468 CD1 PHE A 442 39.051 35.921 -2.112 1.00 32.46 C ATOM 469 CD2 PHE A 442 39.522 38.105 -1.295 1.00 28.68 C ATOM 470 CE1 PHE A 442 38.024 35.798 -1.195 1.00 33.75 C ATOM 471 CE2 PHE A 442 38.494 37.984 -0.375 1.00 26.83 C ATOM 472 CZ PHE A 442 37.746 36.829 -0.326 1.00 28.72 C ATOM 473 H PHE A 442 42.439 38.179 -5.034 1.00 0.00 H ATOM 474 N ILE A 443 39.801 39.766 -4.450 1.00 31.23 N ATOM 475 CA ILE A 443 38.891 40.902 -4.408 1.00 42.24 C ATOM 476 C ILE A 443 38.246 41.065 -5.773 1.00 52.03 C ATOM 477 O ILE A 443 37.077 41.438 -5.886 1.00 58.08 O ATOM 478 CB ILE A 443 39.644 42.186 -4.011 1.00 40.91 C ATOM 479 CG1 ILE A 443 40.233 42.006 -2.610 1.00 40.36 C ATOM 480 CG2 ILE A 443 38.719 43.413 -4.056 1.00 38.07 C ATOM 481 CD1 ILE A 443 41.243 43.054 -2.211 1.00 42.12 C ATOM 482 H ILE A 443 40.823 39.936 -4.363 1.00 0.00 H ATOM 483 N GLU A 444 39.024 40.777 -6.809 1.00 52.99 N ATOM 484 CA GLU A 444 38.543 40.831 -8.184 1.00 57.70 C ATOM 485 C GLU A 444 37.341 39.906 -8.417 1.00 53.94 C ATOM 486 O GLU A 444 36.419 40.266 -9.149 1.00 49.62 O ATOM 487 CB GLU A 444 39.695 40.485 -9.138 1.00 61.49 C ATOM 488 CG GLU A 444 39.374 40.599 -10.623 1.00 63.32 C ATOM 489 CD GLU A 444 38.845 41.967 -11.016 1.00 60.28 C ATOM 490 OE1 GLU A 444 38.133 42.056 -12.038 1.00 59.01 O ATOM 491 OE2 GLU A 444 39.144 42.951 -10.309 1.00 54.33 O ATOM 492 H GLU A 444 40.012 40.503 -6.634 1.00 0.00 H ATOM 493 N GLU A 445 37.346 38.731 -7.787 1.00 45.83 N ATOM 494 CA GLU A 445 36.271 37.748 -7.966 1.00 48.36 C ATOM 495 C GLU A 445 35.388 37.552 -6.726 1.00 52.27 C ATOM 496 O GLU A 445 34.821 36.476 -6.533 1.00 57.39 O ATOM 497 CB GLU A 445 36.869 36.397 -8.367 1.00 47.23 C ATOM 498 H GLU A 445 38.136 38.504 -7.149 1.00 0.00 H ATOM 499 N ALA A 446 35.258 38.583 -5.896 1.00 47.45 N ATOM 500 CA ALA A 446 34.518 38.462 -4.636 1.00 48.58 C ATOM 501 C ALA A 446 32.997 38.525 -4.803 1.00 53.45 C ATOM 502 O ALA A 446 32.256 38.035 -3.949 1.00 54.76 O ATOM 503 CB ALA A 446 34.975 39.538 -3.652 1.00 45.66 C ATOM 504 H ALA A 446 35.691 39.495 -6.146 1.00 0.00 H ATOM 505 N LYS A 447 32.538 39.126 -5.897 1.00 51.65 N ATOM 506 CA LYS A 447 31.113 39.380 -6.097 1.00 48.45 C ATOM 507 C LYS A 447 30.299 38.089 -6.177 1.00 49.62 C ATOM 508 O LYS A 447 29.168 38.023 -5.691 1.00 50.50 O ATOM 509 CB LYS A 447 30.899 40.197 -7.372 1.00 40.32 C ATOM 510 H LYS A 447 33.212 39.424 -6.631 1.00 0.00 H ATOM 511 N VAL A 448 30.879 37.063 -6.792 1.00 49.53 N ATOM 512 CA VAL A 448 30.171 35.803 -7.016 1.00 53.58 C ATOM 513 C VAL A 448 30.009 35.013 -5.718 1.00 51.83 C ATOM 514 O VAL A 448 28.951 34.436 -5.469 1.00 58.45 O ATOM 515 CB VAL A 448 30.870 34.929 -8.099 1.00 53.17 C ATOM 516 CG1 VAL A 448 32.331 34.656 -7.736 1.00 54.28 C ATOM 517 CG2 VAL A 448 30.104 33.619 -8.331 1.00 54.10 C ATOM 518 H VAL A 448 31.861 37.159 -7.122 1.00 0.00 H ATOM 519 N MET A 449 31.055 34.989 -4.896 1.00 40.17 N ATOM 520 CA MET A 449 30.977 34.373 -3.575 1.00 41.65 C ATOM 521 C MET A 449 29.883 35.030 -2.747 1.00 49.85 C ATOM 522 O MET A 449 29.223 34.381 -1.935 1.00 58.36 O ATOM 523 CB MET A 449 32.312 34.508 -2.844 1.00 37.58 C ATOM 524 CG MET A 449 33.343 33.493 -3.270 1.00 32.08 C ATOM 525 SD MET A 449 34.807 33.496 -2.228 1.00 43.21 S ATOM 526 CE MET A 449 35.725 32.151 -2.964 1.00 28.01 C ATOM 527 H MET A 449 31.951 35.420 -5.202 1.00 0.00 H ATOM 528 N MET A 450 29.706 36.328 -2.962 1.00 43.33 N ATOM 529 CA MET A 450 28.718 37.108 -2.235 1.00 48.47 C ATOM 530 C MET A 450 27.300 36.703 -2.633 1.00 44.21 C ATOM 531 O MET A 450 26.356 36.872 -1.859 1.00 52.26 O ATOM 532 CB MET A 450 28.940 38.590 -2.528 1.00 59.17 C ATOM 533 CG MET A 450 28.167 39.528 -1.635 1.00 64.65 C ATOM 534 SD MET A 450 28.489 41.268 -1.992 1.00108.55 S ATOM 535 CE MET A 450 28.040 41.374 -3.723 1.00 48.01 C ATOM 536 H MET A 450 30.295 36.803 -3.675 1.00 0.00 H ATOM 537 N ASN A 451 27.159 36.165 -3.841 1.00 29.39 N ATOM 538 CA ASN A 451 25.856 35.771 -4.366 1.00 28.03 C ATOM 539 C ASN A 451 25.485 34.333 -4.002 1.00 29.86 C ATOM 540 O ASN A 451 24.367 33.889 -4.270 1.00 29.68 O ATOM 541 CB ASN A 451 25.837 35.937 -5.886 1.00 27.85 C ATOM 542 H ASN A 451 28.004 36.021 -4.430 1.00 0.00 H ATOM 543 N LEU A 452 26.419 33.612 -3.388 1.00 24.80 N ATOM 544 CA LEU A 452 26.178 32.226 -2.991 1.00 23.28 C ATOM 545 C LEU A 452 25.543 32.191 -1.605 1.00 25.83 C ATOM 546 O LEU A 452 26.153 32.631 -0.631 1.00 29.77 O ATOM 547 CB LEU A 452 27.481 31.424 -2.982 1.00 23.26 C ATOM 548 CG LEU A 452 28.206 31.282 -4.321 1.00 20.86 C ATOM 549 CD1 LEU A 452 29.531 30.565 -4.121 1.00 17.71 C ATOM 550 CD2 LEU A 452 27.344 30.539 -5.341 1.00 22.00 C ATOM 551 H LEU A 452 27.343 34.045 -3.186 1.00 0.00 H ATOM 552 N SER A 453 24.321 31.671 -1.519 1.00 29.30 N ATOM 553 CA SER A 453 23.587 31.650 -0.258 1.00 26.87 C ATOM 554 C SER A 453 22.784 30.362 -0.120 1.00 27.61 C ATOM 555 O SER A 453 21.972 30.029 -0.982 1.00 31.09 O ATOM 556 CB SER A 453 22.660 32.862 -0.169 1.00 34.93 C ATOM 557 OG SER A 453 21.941 32.864 1.050 1.00 44.21 O ATOM 558 HG SER A 453 22.578 32.895 1.807 1.00 0.00 H ATOM 559 H SER A 453 23.879 31.270 -2.371 1.00 0.00 H ATOM 560 N HIS A 454 23.015 29.640 0.971 1.00 18.70 N ATOM 561 CA HIS A 454 22.330 28.377 1.206 1.00 15.03 C ATOM 562 C HIS A 454 22.479 27.987 2.673 1.00 17.87 C ATOM 563 O HIS A 454 23.511 28.255 3.290 1.00 18.74 O ATOM 564 CB HIS A 454 22.899 27.287 0.293 1.00 14.55 C ATOM 565 CG HIS A 454 22.052 26.055 0.219 1.00 21.59 C ATOM 566 ND1 HIS A 454 22.228 24.982 1.064 1.00 18.63 N ATOM 567 CD2 HIS A 454 21.028 25.722 -0.602 1.00 24.22 C ATOM 568 CE1 HIS A 454 21.346 24.043 0.774 1.00 23.42 C ATOM 569 NE2 HIS A 454 20.605 24.467 -0.235 1.00 21.37 N ATOM 570 H HIS A 454 23.701 29.985 1.673 1.00 0.00 H ATOM 571 N GLU A 455 21.445 27.365 3.230 1.00 16.01 N ATOM 572 CA GLU A 455 21.433 27.017 4.647 1.00 17.16 C ATOM 573 C GLU A 455 22.601 26.114 5.029 1.00 13.90 C ATOM 574 O GLU A 455 23.152 26.231 6.122 1.00 20.81 O ATOM 575 CB GLU A 455 20.130 26.312 5.007 1.00 22.91 C ATOM 576 CG GLU A 455 19.951 26.099 6.492 1.00 33.80 C ATOM 577 CD GLU A 455 19.037 24.942 6.794 1.00 50.53 C ATOM 578 OE1 GLU A 455 18.186 24.613 5.938 1.00 59.69 O ATOM 579 OE2 GLU A 455 19.182 24.354 7.883 1.00 47.70 O ATOM 580 H GLU A 455 20.624 27.120 2.641 1.00 0.00 H ATOM 581 N LYS A 456 22.957 25.203 4.131 1.00 13.50 N ATOM 582 CA LYS A 456 24.027 24.242 4.382 1.00 12.80 C ATOM 583 C LYS A 456 25.366 24.742 3.848 1.00 13.68 C ATOM 584 O LYS A 456 26.352 24.006 3.848 1.00 11.95 O ATOM 585 CB LYS A 456 23.676 22.881 3.777 1.00 14.82 C ATOM 586 CG LYS A 456 22.295 22.370 4.183 1.00 17.86 C ATOM 587 CD LYS A 456 22.168 22.161 5.696 1.00 13.16 C ATOM 588 CE LYS A 456 20.761 21.723 6.092 1.00 13.78 C ATOM 589 NZ LYS A 456 20.528 20.271 5.849 1.00 20.74 N ATOM 590 HZ1 LYS A 456 20.656 20.065 4.838 1.00 0.00 H ATOM 591 HZ2 LYS A 456 21.207 19.714 6.406 1.00 0.00 H ATOM 592 HZ3 LYS A 456 19.559 20.024 6.134 1.00 0.00 H ATOM 593 H LYS A 456 22.457 25.173 3.219 1.00 0.00 H ATOM 594 N LEU A 457 25.389 25.991 3.384 1.00 12.78 N ATOM 595 CA LEU A 457 26.638 26.689 3.097 1.00 16.57 C ATOM 596 C LEU A 457 26.924 27.672 4.221 1.00 13.63 C ATOM 597 O LEU A 457 26.035 28.411 4.647 1.00 14.78 O ATOM 598 CB LEU A 457 26.555 27.484 1.795 1.00 12.99 C ATOM 599 CG LEU A 457 26.759 26.791 0.450 1.00 24.03 C ATOM 600 CD1 LEU A 457 26.702 27.855 -0.634 1.00 23.31 C ATOM 601 CD2 LEU A 457 28.085 26.036 0.394 1.00 23.62 C ATOM 602 H LEU A 457 24.488 26.484 3.221 1.00 0.00 H ATOM 603 N VAL A 458 28.164 27.692 4.695 1.00 12.35 N ATOM 604 CA VAL A 458 28.581 28.717 5.640 1.00 18.28 C ATOM 605 C VAL A 458 28.422 30.087 4.991 1.00 16.31 C ATOM 606 O VAL A 458 28.958 30.349 3.912 1.00 14.96 O ATOM 607 CB VAL A 458 30.030 28.515 6.095 1.00 12.99 C ATOM 608 CG1 VAL A 458 30.489 29.686 6.971 1.00 12.46 C ATOM 609 CG2 VAL A 458 30.144 27.207 6.850 1.00 11.79 C ATOM 610 H VAL A 458 28.844 26.968 4.388 1.00 0.00 H ATOM 611 N GLN A 459 27.679 30.957 5.663 1.00 14.00 N ATOM 612 CA GLN A 459 27.313 32.249 5.103 1.00 14.18 C ATOM 613 C GLN A 459 28.455 33.256 5.178 1.00 16.18 C ATOM 614 O GLN A 459 29.052 33.460 6.236 1.00 18.75 O ATOM 615 CB GLN A 459 26.094 32.810 5.834 1.00 15.42 C ATOM 616 CG GLN A 459 25.566 34.105 5.240 1.00 15.62 C ATOM 617 CD GLN A 459 25.097 33.931 3.806 1.00 18.75 C ATOM 618 OE1 GLN A 459 24.299 33.043 3.509 1.00 21.59 O ATOM 619 NE2 GLN A 459 25.599 34.770 2.908 1.00 18.93 N ATOM 620 HE22 GLN A 459 26.271 35.507 3.203 1.00 0.00 H ATOM 621 HE21 GLN A 459 25.320 34.691 1.909 1.00 0.00 H ATOM 622 H GLN A 459 27.349 30.708 6.617 1.00 0.00 H ATOM 623 N LEU A 460 28.750 33.882 4.044 1.00 21.10 N ATOM 624 CA LEU A 460 29.671 35.009 3.995 1.00 26.59 C ATOM 625 C LEU A 460 28.939 36.284 4.407 1.00 23.23 C ATOM 626 O LEU A 460 27.930 36.650 3.803 1.00 29.14 O ATOM 627 CB LEU A 460 30.227 35.160 2.578 1.00 23.98 C ATOM 628 CG LEU A 460 31.115 36.368 2.274 1.00 24.72 C ATOM 629 CD1 LEU A 460 32.423 36.296 3.055 1.00 16.81 C ATOM 630 CD2 LEU A 460 31.378 36.446 0.775 1.00 31.24 C ATOM 631 H LEU A 460 28.308 33.556 3.161 1.00 0.00 H ATOM 632 N TYR A 461 29.443 36.950 5.441 1.00 15.70 N ATOM 633 CA TYR A 461 28.903 38.238 5.861 1.00 19.38 C ATOM 634 C TYR A 461 29.486 39.337 4.987 1.00 24.80 C ATOM 635 O TYR A 461 28.773 40.239 4.545 1.00 25.68 O ATOM 636 CB TYR A 461 29.256 38.509 7.323 1.00 25.90 C ATOM 637 CG TYR A 461 28.328 37.865 8.330 1.00 30.64 C ATOM 638 CD1 TYR A 461 28.300 36.489 8.502 1.00 21.67 C ATOM 639 CD2 TYR A 461 27.496 38.639 9.128 1.00 43.36 C ATOM 640 CE1 TYR A 461 27.457 35.900 9.427 1.00 25.75 C ATOM 641 CE2 TYR A 461 26.651 38.060 10.056 1.00 47.33 C ATOM 642 CZ TYR A 461 26.636 36.692 10.203 1.00 40.55 C ATOM 643 OH TYR A 461 25.793 36.117 11.129 1.00 37.61 O ATOM 644 HH TYR A 461 25.904 35.133 11.109 1.00 0.00 H ATOM 645 H TYR A 461 30.244 36.542 5.964 1.00 0.00 H ATOM 646 N GLY A 462 30.790 39.254 4.741 1.00 16.61 N ATOM 647 CA GLY A 462 31.473 40.245 3.931 1.00 23.25 C ATOM 648 C GLY A 462 32.979 40.247 4.126 1.00 21.18 C ATOM 649 O GLY A 462 33.545 39.284 4.645 1.00 20.29 O ATOM 650 H GLY A 462 31.333 38.461 5.138 1.00 0.00 H ATOM 651 N VAL A 463 33.624 41.338 3.714 1.00 18.28 N ATOM 652 CA VAL A 463 35.078 41.456 3.785 1.00 18.97 C ATOM 653 C VAL A 463 35.520 42.866 4.177 1.00 22.38 C ATOM 654 O VAL A 463 34.754 43.821 4.047 1.00 19.86 O ATOM 655 CB VAL A 463 35.729 41.113 2.428 1.00 22.15 C ATOM 656 CG1 VAL A 463 35.457 39.664 2.056 1.00 16.51 C ATOM 657 CG2 VAL A 463 35.223 42.054 1.328 1.00 20.51 C ATOM 658 H VAL A 463 33.074 42.132 3.329 1.00 0.00 H ATOM 659 N CYS A 464 36.756 42.985 4.656 1.00 18.01 N ATOM 660 CA CYS A 464 37.369 44.285 4.917 1.00 19.63 C ATOM 661 C CYS A 464 38.657 44.393 4.097 1.00 24.18 C ATOM 662 O CYS A 464 39.627 43.685 4.367 1.00 23.75 O ATOM 663 CB CYS A 464 37.673 44.448 6.408 1.00 25.60 C ATOM 664 SG CYS A 464 36.356 43.886 7.521 1.00 26.39 S ATOM 665 H CYS A 464 37.304 42.123 4.851 1.00 0.00 H ATOM 666 N THR A 465 38.659 45.272 3.098 1.00 24.80 N ATOM 667 CA THR A 465 39.756 45.339 2.131 1.00 31.17 C ATOM 668 C THR A 465 40.450 46.701 2.091 1.00 28.16 C ATOM 669 O THR A 465 41.401 46.889 1.331 1.00 38.78 O ATOM 670 CB THR A 465 39.253 45.021 0.713 1.00 35.65 C ATOM 671 OG1 THR A 465 38.212 45.939 0.362 1.00 20.70 O ATOM 672 CG2 THR A 465 38.706 43.604 0.642 1.00 25.79 C ATOM 673 HG1 THR A 465 37.465 45.851 1.006 1.00 0.00 H ATOM 674 H THR A 465 37.859 45.930 3.002 1.00 0.00 H ATOM 675 N LYS A 466 39.986 47.641 2.911 1.00 24.74 N ATOM 676 CA LYS A 466 40.549 48.991 2.926 1.00 25.98 C ATOM 677 C LYS A 466 41.709 49.091 3.897 1.00 30.07 C ATOM 678 O LYS A 466 42.167 50.182 4.235 1.00 33.73 O ATOM 679 CB LYS A 466 39.472 50.006 3.301 1.00 23.57 C ATOM 680 CG LYS A 466 38.264 49.959 2.390 1.00 25.74 C ATOM 681 CD LYS A 466 38.652 50.156 0.921 1.00 36.40 C ATOM 682 CE LYS A 466 37.483 49.910 0.001 1.00 41.92 C ATOM 683 NZ LYS A 466 36.488 51.008 0.092 1.00 40.45 N ATOM 684 HZ1 LYS A 466 36.135 51.074 1.068 1.00 0.00 H ATOM 685 HZ2 LYS A 466 36.939 51.906 -0.176 1.00 0.00 H ATOM 686 HZ3 LYS A 466 35.696 50.810 -0.552 1.00 0.00 H ATOM 687 H LYS A 466 39.204 47.410 3.557 1.00 0.00 H ATOM 688 N GLN A 467 42.184 47.934 4.332 1.00 37.23 N ATOM 689 CA GLN A 467 43.197 47.861 5.360 1.00 36.73 C ATOM 690 C GLN A 467 43.915 46.537 5.209 1.00 29.54 C ATOM 691 O GLN A 467 43.410 45.623 4.555 1.00 27.90 O ATOM 692 CB GLN A 467 42.570 47.967 6.760 1.00 45.24 C ATOM 693 CG GLN A 467 41.047 47.783 6.840 1.00 53.94 C ATOM 694 CD GLN A 467 40.625 46.382 7.260 1.00 53.91 C ATOM 695 OE1 GLN A 467 39.660 46.217 8.006 1.00 68.45 O ATOM 696 NE2 GLN A 467 41.338 45.369 6.781 1.00 34.87 N ATOM 697 HE22 GLN A 467 42.146 45.553 6.153 1.00 0.00 H ATOM 698 HE21 GLN A 467 41.088 44.392 7.034 1.00 0.00 H ATOM 699 H GLN A 467 41.817 47.052 3.922 1.00 0.00 H ATOM 700 N ARG A 468 45.094 46.438 5.807 1.00 22.09 N ATOM 701 CA ARG A 468 45.806 45.174 5.870 1.00 32.64 C ATOM 702 C ARG A 468 46.107 44.845 7.329 1.00 33.03 C ATOM 703 O ARG A 468 46.486 45.729 8.093 1.00 30.08 O ATOM 704 CB ARG A 468 47.089 45.237 5.040 1.00 32.83 C ATOM 705 CG ARG A 468 46.834 45.344 3.548 1.00 40.84 C ATOM 706 CD ARG A 468 46.297 44.036 2.993 1.00 46.97 C ATOM 707 NE ARG A 468 46.101 44.095 1.548 1.00 49.44 N ATOM 708 CZ ARG A 468 45.063 44.676 0.956 1.00 49.23 C ATOM 709 NH1 ARG A 468 44.116 45.261 1.678 1.00 49.19 N ATOM 710 NH2 ARG A 468 44.975 44.677 -0.366 1.00 39.90 N ATOM 711 HE ARG A 468 46.821 43.653 0.942 1.00 0.00 H ATOM 712 HH12 ARG A 468 43.307 45.713 1.206 1.00 0.00 H ATOM 713 HH11 ARG A 468 44.183 45.267 2.716 1.00 0.00 H ATOM 714 HH22 ARG A 468 44.164 45.131 -0.833 1.00 0.00 H ATOM 715 HH21 ARG A 468 45.717 44.224 -0.937 1.00 0.00 H ATOM 716 H ARG A 468 45.518 47.283 6.240 1.00 0.00 H ATOM 717 N PRO A 469 45.932 43.574 7.725 1.00 27.95 N ATOM 718 CA PRO A 469 45.475 42.453 6.893 1.00 27.09 C ATOM 719 C PRO A 469 43.994 42.504 6.518 1.00 30.28 C ATOM 720 O PRO A 469 43.170 43.051 7.254 1.00 34.46 O ATOM 721 CB PRO A 469 45.730 41.234 7.782 1.00 28.54 C ATOM 722 CG PRO A 469 45.684 41.777 9.183 1.00 27.74 C ATOM 723 CD PRO A 469 46.331 43.123 9.069 1.00 29.76 C ATOM 724 N ILE A 470 43.677 41.927 5.363 1.00 25.74 N ATOM 725 CA ILE A 470 42.301 41.764 4.918 1.00 29.81 C ATOM 726 C ILE A 470 41.529 40.888 5.890 1.00 17.03 C ATOM 727 O ILE A 470 42.086 39.964 6.484 1.00 22.74 O ATOM 728 CB ILE A 470 42.259 41.110 3.524 1.00 34.68 C ATOM 729 CG1 ILE A 470 42.755 42.106 2.475 1.00 37.85 C ATOM 730 CG2 ILE A 470 40.842 40.626 3.175 1.00 42.59 C ATOM 731 CD1 ILE A 470 42.936 41.518 1.085 1.00 39.66 C ATOM 732 H ILE A 470 44.443 41.578 4.753 1.00 0.00 H ATOM 733 N PHE A 471 40.241 41.177 6.037 1.00 17.03 N ATOM 734 CA PHE A 471 39.347 40.338 6.817 1.00 23.30 C ATOM 735 C PHE A 471 38.334 39.656 5.920 1.00 19.66 C ATOM 736 O PHE A 471 37.789 40.266 5.001 1.00 16.42 O ATOM 737 CB PHE A 471 38.583 41.172 7.839 1.00 24.76 C ATOM 738 CG PHE A 471 39.451 41.816 8.884 1.00 21.21 C ATOM 739 CD1 PHE A 471 40.750 41.388 9.102 1.00 17.23 C ATOM 740 CD2 PHE A 471 38.959 42.852 9.654 1.00 19.83 C ATOM 741 CE1 PHE A 471 41.535 41.985 10.065 1.00 19.07 C ATOM 742 CE2 PHE A 471 39.744 43.451 10.616 1.00 24.58 C ATOM 743 CZ PHE A 471 41.033 43.016 10.822 1.00 20.27 C ATOM 744 H PHE A 471 39.861 42.030 5.580 1.00 0.00 H ATOM 745 N ILE A 472 38.087 38.385 6.199 1.00 20.22 N ATOM 746 CA ILE A 472 36.948 37.684 5.641 1.00 18.48 C ATOM 747 C ILE A 472 36.079 37.274 6.815 1.00 19.77 C ATOM 748 O ILE A 472 36.554 36.617 7.741 1.00 14.56 O ATOM 749 CB ILE A 472 37.379 36.451 4.852 1.00 14.54 C ATOM 750 CG1 ILE A 472 38.237 36.884 3.661 1.00 18.65 C ATOM 751 CG2 ILE A 472 36.152 35.669 4.386 1.00 23.92 C ATOM 752 CD1 ILE A 472 38.873 35.738 2.908 1.00 15.94 C ATOM 753 H ILE A 472 38.730 37.875 6.838 1.00 0.00 H ATOM 754 N ILE A 473 34.810 37.669 6.781 1.00 15.11 N ATOM 755 CA ILE A 473 33.926 37.476 7.923 1.00 15.14 C ATOM 756 C ILE A 473 32.824 36.489 7.583 1.00 17.34 C ATOM 757 O ILE A 473 32.150 36.621 6.560 1.00 16.52 O ATOM 758 CB ILE A 473 33.329 38.806 8.399 1.00 19.94 C ATOM 759 CG1 ILE A 473 34.451 39.738 8.859 1.00 21.27 C ATOM 760 CG2 ILE A 473 32.361 38.577 9.553 1.00 23.18 C ATOM 761 CD1 ILE A 473 34.999 40.646 7.773 1.00 24.60 C ATOM 762 H ILE A 473 34.441 38.125 5.922 1.00 0.00 H ATOM 763 N THR A 474 32.643 35.505 8.459 1.00 14.43 N ATOM 764 CA THR A 474 31.773 34.377 8.166 1.00 14.05 C ATOM 765 C THR A 474 30.911 33.936 9.336 1.00 17.89 C ATOM 766 O THR A 474 31.206 34.210 10.499 1.00 16.56 O ATOM 767 CB THR A 474 32.598 33.160 7.731 1.00 14.22 C ATOM 768 OG1 THR A 474 33.721 33.014 8.607 1.00 15.74 O ATOM 769 CG2 THR A 474 33.089 33.330 6.307 1.00 13.35 C ATOM 770 HG1 THR A 474 34.281 33.829 8.562 1.00 0.00 H ATOM 771 H THR A 474 33.135 35.543 9.375 1.00 0.00 H ATOM 772 N GLU A 475 29.841 33.237 8.984 1.00 16.74 N ATOM 773 CA GLU A 475 28.958 32.580 9.931 1.00 14.18 C ATOM 774 C GLU A 475 29.734 31.700 10.909 1.00 19.17 C ATOM 775 O GLU A 475 30.437 30.772 10.505 1.00 17.30 O ATOM 776 CB GLU A 475 27.965 31.731 9.146 1.00 14.54 C ATOM 777 CG GLU A 475 27.027 30.890 9.970 1.00 14.54 C ATOM 778 CD GLU A 475 26.051 30.124 9.100 1.00 14.43 C ATOM 779 OE1 GLU A 475 25.165 29.442 9.653 1.00 19.33 O ATOM 780 OE2 GLU A 475 26.169 30.209 7.858 1.00 17.10 O ATOM 781 H GLU A 475 29.621 33.154 7.971 1.00 0.00 H ATOM 782 N TYR A 476 29.596 32.001 12.197 1.00 20.40 N ATOM 783 CA TYR A 476 30.260 31.240 13.249 1.00 15.35 C ATOM 784 C TYR A 476 29.559 29.908 13.487 1.00 18.35 C ATOM 785 O TYR A 476 28.331 29.820 13.432 1.00 18.01 O ATOM 786 CB TYR A 476 30.285 32.040 14.548 1.00 14.83 C ATOM 787 CG TYR A 476 30.938 31.297 15.693 1.00 14.85 C ATOM 788 CD1 TYR A 476 32.301 31.057 15.699 1.00 23.41 C ATOM 789 CD2 TYR A 476 30.190 30.834 16.764 1.00 15.32 C ATOM 790 CE1 TYR A 476 32.902 30.376 16.740 1.00 14.63 C ATOM 791 CE2 TYR A 476 30.785 30.154 17.812 1.00 22.26 C ATOM 792 CZ TYR A 476 32.140 29.927 17.795 1.00 17.83 C ATOM 793 OH TYR A 476 32.736 29.247 18.838 1.00 24.41 O ATOM 794 HH TYR A 476 32.341 28.342 18.909 1.00 0.00 H ATOM 795 H TYR A 476 28.994 32.806 12.463 1.00 0.00 H ATOM 796 N MET A 477 30.354 28.878 13.762 1.00 13.51 N ATOM 797 CA MET A 477 29.853 27.523 13.933 1.00 13.31 C ATOM 798 C MET A 477 30.507 26.938 15.183 1.00 13.47 C ATOM 799 O MET A 477 31.692 26.602 15.189 1.00 13.18 O ATOM 800 CB MET A 477 30.159 26.705 12.677 1.00 12.65 C ATOM 801 CG MET A 477 29.619 27.351 11.403 1.00 19.50 C ATOM 802 SD MET A 477 27.836 27.194 11.265 1.00 13.86 S ATOM 803 CE MET A 477 27.723 25.530 10.637 1.00 14.55 C ATOM 804 H MET A 477 31.375 29.048 13.859 1.00 0.00 H ATOM 805 N ALA A 478 29.709 26.835 16.242 1.00 18.44 N ATOM 806 CA ALA A 478 30.200 26.628 17.604 1.00 20.22 C ATOM 807 C ALA A 478 30.989 25.336 17.817 1.00 19.40 C ATOM 808 O ALA A 478 31.944 25.313 18.597 1.00 22.85 O ATOM 809 CB ALA A 478 29.029 26.688 18.572 1.00 19.35 C ATOM 810 H ALA A 478 28.682 26.905 16.094 1.00 0.00 H ATOM 811 N ASN A 479 30.590 24.268 17.137 1.00 18.55 N ATOM 812 CA ASN A 479 31.222 22.967 17.326 1.00 18.62 C ATOM 813 C ASN A 479 32.411 22.765 16.392 1.00 14.06 C ATOM 814 O ASN A 479 33.012 21.689 16.355 1.00 16.50 O ATOM 815 CB ASN A 479 30.193 21.846 17.158 1.00 13.49 C ATOM 816 CG ASN A 479 29.439 21.545 18.446 1.00 14.26 C ATOM 817 OD1 ASN A 479 30.039 21.398 19.510 1.00 22.68 O ATOM 818 ND2 ASN A 479 28.119 21.452 18.353 1.00 14.87 N ATOM 819 HD22 ASN A 479 27.652 21.583 17.433 1.00 0.00 H ATOM 820 HD21 ASN A 479 27.551 21.248 19.200 1.00 0.00 H ATOM 821 H ASN A 479 29.810 24.361 16.455 1.00 0.00 H ATOM 822 N GLY A 480 32.750 23.807 15.639 1.00 14.97 N ATOM 823 CA GLY A 480 33.959 23.797 14.841 1.00 12.29 C ATOM 824 C GLY A 480 33.883 22.826 13.682 1.00 11.77 C ATOM 825 O GLY A 480 32.794 22.492 13.210 1.00 17.95 O ATOM 826 H GLY A 480 32.135 24.646 15.623 1.00 0.00 H TER 827 GLY A 480 ATOM 828 N LEU A 482 34.174 19.524 11.175 1.00 20.01 N ATOM 829 CA LEU A 482 33.496 18.238 11.229 1.00 19.00 C ATOM 830 C LEU A 482 34.404 17.087 11.638 1.00 10.87 C ATOM 831 O LEU A 482 33.976 16.174 12.346 1.00 11.72 O ATOM 832 CB LEU A 482 32.910 17.956 9.850 1.00 16.45 C ATOM 833 CG LEU A 482 32.143 16.658 9.632 1.00 17.38 C ATOM 834 CD1 LEU A 482 30.974 16.557 10.601 1.00 10.79 C ATOM 835 CD2 LEU A 482 31.673 16.617 8.186 1.00 10.32 C ATOM 836 HN3 LEU A 482 34.948 19.477 10.482 1.00 0.00 H ATOM 837 HN2 LEU A 482 34.560 19.751 12.114 1.00 0.00 H ATOM 838 HN1 LEU A 482 33.497 20.260 10.890 1.00 0.00 H ATOM 839 N LEU A 483 35.651 17.124 11.182 1.00 10.81 N ATOM 840 CA LEU A 483 36.581 16.028 11.432 1.00 10.99 C ATOM 841 C LEU A 483 36.777 15.799 12.930 1.00 11.42 C ATOM 842 O LEU A 483 36.639 14.678 13.413 1.00 22.33 O ATOM 843 CB LEU A 483 37.924 16.296 10.747 1.00 11.00 C ATOM 844 CG LEU A 483 38.992 15.207 10.886 1.00 16.75 C ATOM 845 CD1 LEU A 483 38.479 13.859 10.376 1.00 22.37 C ATOM 846 CD2 LEU A 483 40.251 15.621 10.134 1.00 14.26 C ATOM 847 H LEU A 483 35.970 17.950 10.636 1.00 0.00 H ATOM 848 N ASN A 484 37.080 16.864 13.664 1.00 12.54 N ATOM 849 CA ASN A 484 37.289 16.762 15.105 1.00 12.15 C ATOM 850 C ASN A 484 35.989 16.480 15.852 1.00 13.08 C ATOM 851 O ASN A 484 35.990 15.798 16.877 1.00 14.77 O ATOM 852 CB ASN A 484 37.940 18.043 15.632 1.00 20.58 C ATOM 853 CG ASN A 484 39.429 18.107 15.331 1.00 29.22 C ATOM 854 OD1 ASN A 484 40.138 17.107 15.442 1.00 35.93 O ATOM 855 ND2 ASN A 484 39.908 19.283 14.945 1.00 33.65 N ATOM 856 HD22 ASN A 484 39.273 20.102 14.865 1.00 0.00 H ATOM 857 HD21 ASN A 484 40.919 19.385 14.723 1.00 0.00 H ATOM 858 H ASN A 484 37.170 17.791 13.202 1.00 0.00 H ATOM 859 N TYR A 485 34.889 17.016 15.333 1.00 14.62 N ATOM 860 CA TYR A 485 33.560 16.764 15.882 1.00 13.14 C ATOM 861 C TYR A 485 33.240 15.273 15.834 1.00 13.45 C ATOM 862 O TYR A 485 32.717 14.702 16.793 1.00 12.86 O ATOM 863 CB TYR A 485 32.520 17.542 15.076 1.00 12.03 C ATOM 864 CG TYR A 485 31.121 17.503 15.654 1.00 12.40 C ATOM 865 CD1 TYR A 485 30.804 18.204 16.806 1.00 12.97 C ATOM 866 CD2 TYR A 485 30.113 16.777 15.038 1.00 12.29 C ATOM 867 CE1 TYR A 485 29.526 18.174 17.334 1.00 13.84 C ATOM 868 CE2 TYR A 485 28.832 16.743 15.558 1.00 20.16 C ATOM 869 CZ TYR A 485 28.542 17.441 16.706 1.00 17.96 C ATOM 870 OH TYR A 485 27.264 17.406 17.224 1.00 24.37 O ATOM 871 HH TYR A 485 27.227 17.957 18.045 1.00 0.00 H ATOM 872 H TYR A 485 34.978 17.638 14.505 1.00 0.00 H ATOM 873 N LEU A 486 33.552 14.653 14.702 1.00 17.22 N ATOM 874 CA LEU A 486 33.378 13.218 14.524 1.00 16.43 C ATOM 875 C LEU A 486 34.213 12.441 15.530 1.00 19.16 C ATOM 876 O LEU A 486 33.725 11.521 16.192 1.00 12.92 O ATOM 877 CB LEU A 486 33.801 12.824 13.110 1.00 20.07 C ATOM 878 CG LEU A 486 32.834 13.228 12.000 1.00 16.46 C ATOM 879 CD1 LEU A 486 33.529 13.169 10.645 1.00 10.86 C ATOM 880 CD2 LEU A 486 31.607 12.325 12.023 1.00 11.35 C ATOM 881 H LEU A 486 33.935 15.213 13.913 1.00 0.00 H ATOM 882 N ARG A 487 35.482 12.815 15.627 1.00 13.34 N ATOM 883 CA ARG A 487 36.425 12.137 16.501 1.00 14.57 C ATOM 884 C ARG A 487 36.064 12.315 17.975 1.00 13.75 C ATOM 885 O ARG A 487 36.275 11.410 18.784 1.00 14.35 O ATOM 886 CB ARG A 487 37.837 12.663 16.224 1.00 14.16 C ATOM 887 CG ARG A 487 38.334 12.331 14.824 1.00 14.65 C ATOM 888 CD ARG A 487 39.742 12.844 14.560 1.00 25.71 C ATOM 889 NE ARG A 487 40.735 12.152 15.376 1.00 24.13 N ATOM 890 CZ ARG A 487 41.186 10.926 15.129 1.00 28.16 C ATOM 891 NH1 ARG A 487 40.733 10.246 14.086 1.00 23.36 N ATOM 892 NH2 ARG A 487 42.088 10.377 15.926 1.00 21.59 N ATOM 893 HE ARG A 487 41.115 12.651 16.206 1.00 0.00 H ATOM 894 HH12 ARG A 487 41.088 9.287 13.896 1.00 0.00 H ATOM 895 HH11 ARG A 487 40.022 10.671 13.457 1.00 0.00 H ATOM 896 HH22 ARG A 487 42.439 9.418 15.731 1.00 0.00 H ATOM 897 HH21 ARG A 487 42.446 10.905 16.748 1.00 0.00 H ATOM 898 H ARG A 487 35.813 13.620 15.059 1.00 0.00 H ATOM 899 N GLU A 488 35.510 13.476 18.316 1.00 13.73 N ATOM 900 CA GLU A 488 35.208 13.806 19.708 1.00 14.44 C ATOM 901 C GLU A 488 33.886 13.210 20.201 1.00 28.59 C ATOM 902 O GLU A 488 33.713 12.989 21.400 1.00 27.72 O ATOM 903 CB GLU A 488 35.179 15.327 19.887 1.00 26.43 C ATOM 904 H GLU A 488 35.286 14.167 17.572 1.00 0.00 H ATOM 905 N MET A 489 32.969 12.947 19.274 1.00 21.58 N ATOM 906 CA MET A 489 31.623 12.483 19.606 1.00 14.64 C ATOM 907 C MET A 489 31.386 11.130 18.955 1.00 15.66 C ATOM 908 O MET A 489 30.251 10.723 18.703 1.00 23.01 O ATOM 909 CB MET A 489 30.599 13.495 19.100 1.00 23.32 C ATOM 910 CG MET A 489 30.957 14.932 19.439 1.00 32.94 C ATOM 911 SD MET A 489 31.079 15.191 21.214 1.00 47.40 S ATOM 912 CE MET A 489 29.348 15.243 21.633 1.00 51.37 C ATOM 913 H MET A 489 33.220 13.077 18.273 1.00 0.00 H ATOM 914 N ARG A 490 32.494 10.446 18.705 1.00 14.55 N ATOM 915 CA ARG A 490 32.539 9.204 17.948 1.00 21.77 C ATOM 916 C ARG A 490 31.568 8.128 18.435 1.00 29.81 C ATOM 917 O ARG A 490 30.929 7.448 17.630 1.00 21.98 O ATOM 918 CB ARG A 490 33.973 8.681 18.026 1.00 20.90 C ATOM 919 CG ARG A 490 34.264 7.429 17.242 1.00 26.35 C ATOM 920 CD ARG A 490 35.758 7.169 17.200 1.00 20.18 C ATOM 921 NE ARG A 490 36.407 7.815 16.059 1.00 22.98 N ATOM 922 CZ ARG A 490 37.647 7.545 15.663 1.00 30.29 C ATOM 923 NH1 ARG A 490 38.171 8.170 14.618 1.00 30.45 N ATOM 924 NH2 ARG A 490 38.365 6.641 16.313 1.00 23.36 N ATOM 925 HE ARG A 490 35.867 8.527 15.527 1.00 0.00 H ATOM 926 HH12 ARG A 490 39.142 7.953 14.315 1.00 0.00 H ATOM 927 HH11 ARG A 490 37.611 8.878 14.101 1.00 0.00 H ATOM 928 HH22 ARG A 490 39.335 6.428 16.005 1.00 0.00 H ATOM 929 HH21 ARG A 490 37.958 6.144 17.131 1.00 0.00 H ATOM 930 H ARG A 490 33.390 10.822 19.074 1.00 0.00 H ATOM 931 N HIS A 491 31.461 7.980 19.750 1.00 29.06 N ATOM 932 CA HIS A 491 30.677 6.901 20.342 1.00 31.25 C ATOM 933 C HIS A 491 29.224 7.297 20.594 1.00 29.01 C ATOM 934 O HIS A 491 28.446 6.510 21.137 1.00 29.64 O ATOM 935 CB HIS A 491 31.351 6.457 21.639 1.00 29.66 C ATOM 936 CG HIS A 491 32.825 6.247 21.493 1.00 32.57 C ATOM 937 ND1 HIS A 491 33.751 7.186 21.890 1.00 25.49 N ATOM 938 CD2 HIS A 491 33.532 5.223 20.959 1.00 32.56 C ATOM 939 CE1 HIS A 491 34.966 6.742 21.626 1.00 31.54 C ATOM 940 NE2 HIS A 491 34.862 5.553 21.061 1.00 27.54 N ATOM 941 H HIS A 491 31.950 8.652 20.376 1.00 0.00 H ATOM 942 N ARG A 492 28.862 8.510 20.183 1.00 19.70 N ATOM 943 CA ARG A 492 27.507 9.020 20.373 1.00 26.35 C ATOM 944 C ARG A 492 26.667 8.974 19.099 1.00 27.91 C ATOM 945 O ARG A 492 25.451 9.164 19.150 1.00 27.71 O ATOM 946 CB ARG A 492 27.552 10.467 20.862 1.00 24.03 C ATOM 947 CG ARG A 492 28.071 10.640 22.269 1.00 26.80 C ATOM 948 CD ARG A 492 27.681 12.004 22.799 1.00 40.15 C ATOM 949 NE ARG A 492 26.237 12.110 23.006 1.00 54.86 N ATOM 950 CZ ARG A 492 25.553 13.251 23.002 1.00 57.94 C ATOM 951 NH1 ARG A 492 26.170 14.407 22.796 1.00 53.95 N ATOM 952 NH2 ARG A 492 24.242 13.238 23.199 1.00 57.41 N ATOM 953 HE ARG A 492 25.707 11.230 23.168 1.00 0.00 H ATOM 954 HH12 ARG A 492 25.626 15.294 22.795 1.00 0.00 H ATOM 955 HH11 ARG A 492 27.197 14.427 22.636 1.00 0.00 H ATOM 956 HH22 ARG A 492 23.707 14.130 23.196 1.00 0.00 H ATOM 957 HH21 ARG A 492 23.749 12.336 23.357 1.00 0.00 H ATOM 958 H ARG A 492 29.566 9.113 19.712 1.00 0.00 H ATOM 959 N PHE A 493 27.305 8.734 17.958 1.00 27.64 N ATOM 960 CA PHE A 493 26.604 8.831 16.683 1.00 21.89 C ATOM 961 C PHE A 493 25.767 7.610 16.355 1.00 15.45 C ATOM 962 O PHE A 493 26.231 6.474 16.435 1.00 23.91 O ATOM 963 CB PHE A 493 27.579 9.070 15.530 1.00 20.74 C ATOM 964 CG PHE A 493 28.197 10.439 15.532 1.00 18.96 C ATOM 965 CD1 PHE A 493 27.417 11.567 15.362 1.00 20.88 C ATOM 966 CD2 PHE A 493 29.558 10.595 15.696 1.00 18.79 C ATOM 967 CE1 PHE A 493 27.985 12.824 15.366 1.00 19.16 C ATOM 968 CE2 PHE A 493 30.127 11.849 15.698 1.00 19.70 C ATOM 969 CZ PHE A 493 29.341 12.964 15.532 1.00 12.80 C ATOM 970 H PHE A 493 28.312 8.475 17.975 1.00 0.00 H ATOM 971 N GLN A 494 24.523 7.873 15.979 1.00 19.49 N ATOM 972 CA GLN A 494 23.669 6.869 15.381 1.00 25.92 C ATOM 973 C GLN A 494 23.839 6.938 13.871 1.00 22.59 C ATOM 974 O GLN A 494 24.232 7.969 13.327 1.00 16.61 O ATOM 975 CB GLN A 494 22.219 7.123 15.769 1.00 32.78 C ATOM 976 CG GLN A 494 21.943 6.894 17.239 1.00 43.01 C ATOM 977 CD GLN A 494 20.560 7.351 17.645 1.00 58.06 C ATOM 978 OE1 GLN A 494 19.758 6.570 18.158 1.00 70.44 O ATOM 979 NE2 GLN A 494 20.274 8.627 17.422 1.00 61.50 N ATOM 980 HE22 GLN A 494 20.983 9.250 16.986 1.00 0.00 H ATOM 981 HE21 GLN A 494 19.341 9.004 17.683 1.00 0.00 H ATOM 982 H GLN A 494 24.148 8.833 16.118 1.00 0.00 H ATOM 983 N THR A 495 23.549 5.832 13.199 1.00 19.80 N ATOM 984 CA THR A 495 23.705 5.738 11.754 1.00 17.67 C ATOM 985 C THR A 495 22.858 6.760 10.995 1.00 21.70 C ATOM 986 O THR A 495 23.294 7.293 9.971 1.00 21.22 O ATOM 987 CB THR A 495 23.355 4.326 11.278 1.00 23.70 C ATOM 988 OG1 THR A 495 22.149 3.895 11.918 1.00 37.02 O ATOM 989 CG2 THR A 495 24.482 3.363 11.632 1.00 17.46 C ATOM 990 HG1 THR A 495 22.281 3.891 12.899 1.00 0.00 H ATOM 991 H THR A 495 23.198 5.004 13.721 1.00 0.00 H ATOM 992 N GLN A 496 21.656 7.032 11.493 1.00 17.07 N ATOM 993 CA GLN A 496 20.777 8.015 10.867 1.00 21.42 C ATOM 994 C GLN A 496 21.424 9.397 10.850 1.00 21.76 C ATOM 995 O GLN A 496 21.239 10.172 9.908 1.00 16.57 O ATOM 996 CB GLN A 496 19.437 8.078 11.605 1.00 25.39 C ATOM 997 H GLN A 496 21.335 6.534 12.347 1.00 0.00 H ATOM 998 N GLN A 497 22.193 9.698 11.892 1.00 18.85 N ATOM 999 CA GLN A 497 22.853 10.993 12.014 1.00 14.84 C ATOM 1000 C GLN A 497 23.964 11.143 10.984 1.00 11.50 C ATOM 1001 O GLN A 497 24.120 12.202 10.379 1.00 13.28 O ATOM 1002 CB GLN A 497 23.424 11.159 13.423 1.00 16.28 C ATOM 1003 CG GLN A 497 22.361 11.331 14.490 1.00 23.17 C ATOM 1004 CD GLN A 497 22.932 11.324 15.895 1.00 25.75 C ATOM 1005 OE1 GLN A 497 23.443 10.307 16.364 1.00 29.16 O ATOM 1006 NE2 GLN A 497 22.852 12.461 16.572 1.00 26.60 N ATOM 1007 HE22 GLN A 497 22.412 13.296 16.136 1.00 0.00 H ATOM 1008 HE21 GLN A 497 23.230 12.518 17.539 1.00 0.00 H ATOM 1009 H GLN A 497 22.328 8.990 12.642 1.00 0.00 H ATOM 1010 N LEU A 498 24.734 10.077 10.796 1.00 17.31 N ATOM 1011 CA LEU A 498 25.815 10.066 9.820 1.00 11.06 C ATOM 1012 C LEU A 498 25.291 10.390 8.423 1.00 14.99 C ATOM 1013 O LEU A 498 25.932 11.110 7.655 1.00 13.81 O ATOM 1014 CB LEU A 498 26.488 8.694 9.805 1.00 12.47 C ATOM 1015 CG LEU A 498 27.047 8.226 11.151 1.00 12.09 C ATOM 1016 CD1 LEU A 498 27.647 6.833 11.028 1.00 11.49 C ATOM 1017 CD2 LEU A 498 28.084 9.215 11.690 1.00 13.22 C ATOM 1018 H LEU A 498 24.559 9.223 11.364 1.00 0.00 H ATOM 1019 N LEU A 499 24.120 9.852 8.103 1.00 18.96 N ATOM 1020 CA LEU A 499 23.512 10.038 6.788 1.00 17.91 C ATOM 1021 C LEU A 499 22.982 11.461 6.610 1.00 11.64 C ATOM 1022 O LEU A 499 23.074 12.030 5.522 1.00 21.72 O ATOM 1023 CB LEU A 499 22.378 9.027 6.604 1.00 12.33 C ATOM 1024 CG LEU A 499 21.736 8.894 5.221 1.00 18.19 C ATOM 1025 CD1 LEU A 499 22.773 8.517 4.165 1.00 16.93 C ATOM 1026 CD2 LEU A 499 20.624 7.853 5.281 1.00 16.99 C ATOM 1027 H LEU A 499 23.619 9.279 8.812 1.00 0.00 H ATOM 1028 N GLU A 500 22.428 12.027 7.679 1.00 12.40 N ATOM 1029 CA GLU A 500 21.910 13.396 7.652 1.00 11.77 C ATOM 1030 C GLU A 500 23.048 14.382 7.412 1.00 12.90 C ATOM 1031 O GLU A 500 22.863 15.419 6.778 1.00 18.51 O ATOM 1032 CB GLU A 500 21.210 13.720 8.976 1.00 12.02 C ATOM 1033 CG GLU A 500 20.521 15.087 9.028 1.00 22.64 C ATOM 1034 CD GLU A 500 19.206 15.128 8.272 1.00 32.27 C ATOM 1035 OE1 GLU A 500 18.670 16.240 8.078 1.00 41.05 O ATOM 1036 OE2 GLU A 500 18.702 14.057 7.876 1.00 35.18 O ATOM 1037 H GLU A 500 22.361 11.480 8.561 1.00 0.00 H ATOM 1038 N MET A 501 24.224 14.051 7.938 1.00 13.27 N ATOM 1039 CA MET A 501 25.423 14.858 7.738 1.00 10.56 C ATOM 1040 C MET A 501 25.844 14.852 6.283 1.00 12.25 C ATOM 1041 O MET A 501 26.183 15.891 5.716 1.00 13.50 O ATOM 1042 CB MET A 501 26.568 14.295 8.570 1.00 10.54 C ATOM 1043 CG MET A 501 26.404 14.526 10.038 1.00 10.36 C ATOM 1044 SD MET A 501 27.723 13.772 10.993 1.00 22.64 S ATOM 1045 CE MET A 501 27.760 14.871 12.391 1.00 10.28 C ATOM 1046 H MET A 501 24.291 13.186 8.512 1.00 0.00 H ATOM 1047 N CYS A 502 25.847 13.661 5.698 1.00 16.45 N ATOM 1048 CA CYS A 502 26.149 13.500 4.284 1.00 16.38 C ATOM 1049 C CYS A 502 25.159 14.322 3.476 1.00 12.97 C ATOM 1050 O CYS A 502 25.526 15.008 2.520 1.00 20.81 O ATOM 1051 CB CYS A 502 26.016 12.028 3.896 1.00 23.67 C ATOM 1052 SG CYS A 502 27.409 10.981 4.390 1.00 20.12 S ATOM 1053 H CYS A 502 25.627 12.818 6.267 1.00 0.00 H ATOM 1054 N LYS A 503 23.897 14.243 3.882 1.00 11.20 N ATOM 1055 CA LYS A 503 22.813 14.951 3.218 1.00 13.52 C ATOM 1056 C LYS A 503 22.994 16.467 3.286 1.00 18.02 C ATOM 1057 O LYS A 503 22.796 17.159 2.287 1.00 17.33 O ATOM 1058 CB LYS A 503 21.481 14.552 3.853 1.00 12.07 C ATOM 1059 CG LYS A 503 20.277 15.274 3.293 1.00 15.85 C ATOM 1060 CD LYS A 503 19.024 14.841 4.012 1.00 26.05 C ATOM 1061 CE LYS A 503 17.833 15.677 3.602 1.00 33.80 C ATOM 1062 NZ LYS A 503 16.580 15.192 4.233 1.00 32.17 N ATOM 1063 HZ1 LYS A 503 16.406 14.208 3.944 1.00 0.00 H ATOM 1064 HZ2 LYS A 503 16.674 15.239 5.268 1.00 0.00 H ATOM 1065 HZ3 LYS A 503 15.786 15.790 3.928 1.00 0.00 H ATOM 1066 H LYS A 503 23.675 13.651 4.708 1.00 0.00 H ATOM 1067 N ASP A 504 23.355 16.978 4.461 1.00 15.10 N ATOM 1068 CA ASP A 504 23.602 18.407 4.636 1.00 13.55 C ATOM 1069 C ASP A 504 24.620 18.890 3.621 1.00 11.05 C ATOM 1070 O ASP A 504 24.406 19.875 2.912 1.00 14.72 O ATOM 1071 CB ASP A 504 24.153 18.689 6.034 1.00 16.35 C ATOM 1072 CG ASP A 504 23.131 18.463 7.127 1.00 15.05 C ATOM 1073 OD1 ASP A 504 21.922 18.419 6.822 1.00 17.72 O ATOM 1074 OD2 ASP A 504 23.539 18.339 8.299 1.00 14.28 O ATOM 1075 H ASP A 504 23.464 16.342 5.277 1.00 0.00 H ATOM 1076 N VAL A 505 25.737 18.175 3.568 1.00 11.54 N ATOM 1077 CA VAL A 505 26.843 18.523 2.691 1.00 11.89 C ATOM 1078 C VAL A 505 26.427 18.429 1.228 1.00 10.91 C ATOM 1079 O VAL A 505 26.738 19.312 0.430 1.00 19.39 O ATOM 1080 CB VAL A 505 28.048 17.595 2.960 1.00 16.53 C ATOM 1081 CG1 VAL A 505 29.104 17.699 1.852 1.00 10.24 C ATOM 1082 CG2 VAL A 505 28.659 17.919 4.321 1.00 12.71 C ATOM 1083 H VAL A 505 25.824 17.336 4.176 1.00 0.00 H ATOM 1084 N CYS A 506 25.717 17.360 0.882 1.00 12.50 N ATOM 1085 CA CYS A 506 25.324 17.117 -0.504 1.00 13.43 C ATOM 1086 C CYS A 506 24.361 18.190 -1.005 1.00 11.93 C ATOM 1087 O CYS A 506 24.409 18.580 -2.173 1.00 20.62 O ATOM 1088 CB CYS A 506 24.678 15.733 -0.644 1.00 15.39 C ATOM 1089 SG CYS A 506 24.447 15.173 -2.355 1.00 22.25 S ATOM 1090 H CYS A 506 25.434 16.680 1.616 1.00 0.00 H ATOM 1091 N GLU A 507 23.485 18.661 -0.123 1.00 12.04 N ATOM 1092 CA GLU A 507 22.547 19.722 -0.471 1.00 17.75 C ATOM 1093 C GLU A 507 23.300 20.990 -0.872 1.00 18.37 C ATOM 1094 O GLU A 507 22.951 21.655 -1.850 1.00 13.85 O ATOM 1095 CB GLU A 507 21.608 20.004 0.705 1.00 19.55 C ATOM 1096 CG GLU A 507 20.545 18.936 0.900 1.00 18.37 C ATOM 1097 CD GLU A 507 19.697 19.160 2.138 1.00 28.65 C ATOM 1098 OE1 GLU A 507 18.643 18.500 2.261 1.00 31.72 O ATOM 1099 OE2 GLU A 507 20.081 19.990 2.986 1.00 29.76 O ATOM 1100 H GLU A 507 23.468 18.263 0.838 1.00 0.00 H ATOM 1101 N ALA A 508 24.339 21.307 -0.107 1.00 15.38 N ATOM 1102 CA ALA A 508 25.173 22.477 -0.361 1.00 21.52 C ATOM 1103 C ALA A 508 25.907 22.353 -1.693 1.00 17.71 C ATOM 1104 O ALA A 508 26.000 23.314 -2.457 1.00 15.86 O ATOM 1105 CB ALA A 508 26.177 22.647 0.769 1.00 14.56 C ATOM 1106 H ALA A 508 24.567 20.698 0.704 1.00 0.00 H ATOM 1107 N MET A 509 26.438 21.165 -1.956 1.00 11.98 N ATOM 1108 CA MET A 509 27.216 20.917 -3.163 1.00 15.99 C ATOM 1109 C MET A 509 26.337 20.898 -4.422 1.00 16.01 C ATOM 1110 O MET A 509 26.780 21.297 -5.499 1.00 16.64 O ATOM 1111 CB MET A 509 27.997 19.611 -3.004 1.00 17.98 C ATOM 1112 CG MET A 509 29.057 19.675 -1.904 1.00 11.23 C ATOM 1113 SD MET A 509 30.292 20.964 -2.157 1.00 13.96 S ATOM 1114 CE MET A 509 30.954 20.493 -3.755 1.00 11.65 C ATOM 1115 H MET A 509 26.294 20.388 -1.280 1.00 0.00 H ATOM 1116 N GLU A 510 25.099 20.433 -4.277 1.00 15.20 N ATOM 1117 CA GLU A 510 24.121 20.481 -5.361 1.00 19.38 C ATOM 1118 C GLU A 510 23.886 21.927 -5.775 1.00 17.48 C ATOM 1119 O GLU A 510 23.820 22.247 -6.963 1.00 20.33 O ATOM 1120 CB GLU A 510 22.796 19.870 -4.903 1.00 18.15 C ATOM 1121 CG GLU A 510 21.708 19.857 -5.970 1.00 18.67 C ATOM 1122 CD GLU A 510 20.361 19.421 -5.427 1.00 23.68 C ATOM 1123 OE1 GLU A 510 19.577 18.819 -6.190 1.00 28.70 O ATOM 1124 OE2 GLU A 510 20.079 19.687 -4.239 1.00 31.51 O ATOM 1125 H GLU A 510 24.819 20.023 -3.363 1.00 0.00 H ATOM 1126 N TYR A 511 23.741 22.791 -4.777 1.00 15.02 N ATOM 1127 CA TYR A 511 23.523 24.208 -5.007 1.00 21.17 C ATOM 1128 C TYR A 511 24.730 24.848 -5.689 1.00 19.41 C ATOM 1129 O TYR A 511 24.578 25.656 -6.604 1.00 30.81 O ATOM 1130 CB TYR A 511 23.246 24.893 -3.671 1.00 24.17 C ATOM 1131 CG TYR A 511 23.309 26.400 -3.726 1.00 31.89 C ATOM 1132 CD1 TYR A 511 22.208 27.146 -4.116 1.00 31.11 C ATOM 1133 CD2 TYR A 511 24.468 27.077 -3.385 1.00 25.22 C ATOM 1134 CE1 TYR A 511 22.260 28.523 -4.166 1.00 26.36 C ATOM 1135 CE2 TYR A 511 24.529 28.456 -3.433 1.00 22.82 C ATOM 1136 CZ TYR A 511 23.420 29.174 -3.826 1.00 21.20 C ATOM 1137 OH TYR A 511 23.460 30.551 -3.879 1.00 21.92 O ATOM 1138 HH TYR A 511 22.581 30.894 -4.180 1.00 0.00 H ATOM 1139 H TYR A 511 23.785 22.441 -3.799 1.00 0.00 H ATOM 1140 N LEU A 512 25.926 24.484 -5.238 1.00 21.28 N ATOM 1141 CA LEU A 512 27.160 24.984 -5.837 1.00 20.86 C ATOM 1142 C LEU A 512 27.293 24.481 -7.266 1.00 18.32 C ATOM 1143 O LEU A 512 27.709 25.214 -8.166 1.00 22.48 O ATOM 1144 CB LEU A 512 28.370 24.521 -5.026 1.00 20.53 C ATOM 1145 CG LEU A 512 28.610 25.196 -3.676 1.00 20.01 C ATOM 1146 CD1 LEU A 512 29.902 24.667 -3.076 1.00 16.56 C ATOM 1147 CD2 LEU A 512 28.657 26.721 -3.793 1.00 16.08 C ATOM 1148 H LEU A 512 25.985 23.825 -4.436 1.00 0.00 H ATOM 1149 N GLU A 513 26.953 23.212 -7.453 1.00 19.78 N ATOM 1150 CA GLU A 513 26.948 22.586 -8.767 1.00 18.35 C ATOM 1151 C GLU A 513 26.010 23.341 -9.704 1.00 25.74 C ATOM 1152 O GLU A 513 26.317 23.537 -10.882 1.00 23.73 O ATOM 1153 CB GLU A 513 26.504 21.130 -8.616 1.00 16.31 C ATOM 1154 CG GLU A 513 26.377 20.339 -9.897 1.00 28.52 C ATOM 1155 CD GLU A 513 26.082 18.876 -9.623 1.00 31.17 C ATOM 1156 OE1 GLU A 513 24.897 18.532 -9.433 1.00 35.37 O ATOM 1157 OE2 GLU A 513 27.038 18.073 -9.582 1.00 21.93 O ATOM 1158 H GLU A 513 26.679 22.642 -6.627 1.00 0.00 H ATOM 1159 N SER A 514 24.872 23.771 -9.167 1.00 21.78 N ATOM 1160 CA SER A 514 23.868 24.488 -9.946 1.00 24.72 C ATOM 1161 C SER A 514 24.356 25.873 -10.362 1.00 21.67 C ATOM 1162 O SER A 514 23.873 26.439 -11.344 1.00 26.15 O ATOM 1163 CB SER A 514 22.576 24.622 -9.138 1.00 27.85 C ATOM 1164 OG SER A 514 22.627 25.743 -8.277 1.00 28.98 O ATOM 1165 HG SER A 514 23.385 25.641 -7.648 1.00 0.00 H ATOM 1166 H SER A 514 24.692 23.590 -8.159 1.00 0.00 H ATOM 1167 N LYS A 515 25.314 26.409 -9.612 1.00 22.94 N ATOM 1168 CA LYS A 515 25.868 27.732 -9.887 1.00 25.06 C ATOM 1169 C LYS A 515 27.225 27.603 -10.571 1.00 22.96 C ATOM 1170 O LYS A 515 27.953 28.588 -10.708 1.00 27.81 O ATOM 1171 CB LYS A 515 25.999 28.531 -8.586 1.00 25.02 C ATOM 1172 CG LYS A 515 24.699 28.642 -7.809 1.00 23.71 C ATOM 1173 CD LYS A 515 23.702 29.558 -8.490 1.00 25.74 C ATOM 1174 CE LYS A 515 22.404 29.613 -7.709 1.00 38.49 C ATOM 1175 NZ LYS A 515 21.439 30.586 -8.282 1.00 43.94 N ATOM 1176 HZ1 LYS A 515 21.860 31.537 -8.273 1.00 0.00 H ATOM 1177 HZ2 LYS A 515 21.214 30.314 -9.260 1.00 0.00 H ATOM 1178 HZ3 LYS A 515 20.569 30.586 -7.712 1.00 0.00 H ATOM 1179 H LYS A 515 25.681 25.868 -8.803 1.00 0.00 H ATOM 1180 N GLN A 516 27.544 26.385 -11.007 1.00 20.06 N ATOM 1181 CA GLN A 516 28.804 26.098 -11.686 1.00 23.78 C ATOM 1182 C GLN A 516 29.984 26.637 -10.887 1.00 21.53 C ATOM 1183 O GLN A 516 30.932 27.195 -11.445 1.00 20.35 O ATOM 1184 CB GLN A 516 28.783 26.677 -13.101 1.00 28.80 C ATOM 1185 CG GLN A 516 27.583 26.193 -13.898 1.00 38.52 C ATOM 1186 CD GLN A 516 27.575 26.666 -15.336 1.00 53.52 C ATOM 1187 OE1 GLN A 516 27.815 25.885 -16.256 1.00 55.37 O ATOM 1188 NE2 GLN A 516 27.275 27.943 -15.540 1.00 58.55 N ATOM 1189 HE22 GLN A 516 27.079 28.567 -14.731 1.00 0.00 H ATOM 1190 HE21 GLN A 516 27.236 28.320 -16.509 1.00 0.00 H ATOM 1191 H GLN A 516 26.869 25.608 -10.858 1.00 0.00 H ATOM 1192 N PHE A 517 29.903 26.464 -9.571 1.00 18.90 N ATOM 1193 CA PHE A 517 30.946 26.909 -8.659 1.00 20.38 C ATOM 1194 C PHE A 517 31.627 25.705 -8.018 1.00 22.11 C ATOM 1195 O PHE A 517 30.954 24.802 -7.516 1.00 22.98 O ATOM 1196 CB PHE A 517 30.358 27.802 -7.569 1.00 22.82 C ATOM 1197 CG PHE A 517 31.394 28.583 -6.809 1.00 20.79 C ATOM 1198 CD1 PHE A 517 32.065 28.019 -5.739 1.00 14.84 C ATOM 1199 CD2 PHE A 517 31.707 29.877 -7.179 1.00 26.50 C ATOM 1200 CE1 PHE A 517 33.020 28.738 -5.050 1.00 17.45 C ATOM 1201 CE2 PHE A 517 32.661 30.596 -6.492 1.00 24.41 C ATOM 1202 CZ PHE A 517 33.319 30.026 -5.427 1.00 21.99 C ATOM 1203 H PHE A 517 29.063 25.993 -9.179 1.00 0.00 H ATOM 1204 N LEU A 518 32.958 25.700 -8.026 1.00 22.19 N ATOM 1205 CA LEU A 518 33.728 24.575 -7.506 1.00 21.82 C ATOM 1206 C LEU A 518 34.339 24.887 -6.148 1.00 15.38 C ATOM 1207 O LEU A 518 34.831 25.991 -5.907 1.00 22.42 O ATOM 1208 CB LEU A 518 34.853 24.196 -8.463 1.00 25.65 C ATOM 1209 CG LEU A 518 34.516 23.938 -9.928 1.00 28.97 C ATOM 1210 CD1 LEU A 518 35.798 23.534 -10.629 1.00 23.65 C ATOM 1211 CD2 LEU A 518 33.437 22.868 -10.095 1.00 19.55 C ATOM 1212 H LEU A 518 33.464 26.522 -8.414 1.00 0.00 H ATOM 1213 N HIS A 519 34.323 23.888 -5.275 1.00 12.83 N ATOM 1214 CA HIS A 519 34.937 23.988 -3.957 1.00 15.74 C ATOM 1215 C HIS A 519 36.453 23.829 -4.048 1.00 15.73 C ATOM 1216 O HIS A 519 37.192 24.721 -3.633 1.00 15.69 O ATOM 1217 CB HIS A 519 34.364 22.906 -3.050 1.00 11.85 C ATOM 1218 CG HIS A 519 34.650 23.117 -1.596 1.00 11.52 C ATOM 1219 ND1 HIS A 519 35.926 23.155 -1.087 1.00 19.15 N ATOM 1220 CD2 HIS A 519 33.815 23.277 -0.544 1.00 12.53 C ATOM 1221 CE1 HIS A 519 35.870 23.341 0.223 1.00 14.82 C ATOM 1222 NE2 HIS A 519 34.602 23.420 0.575 1.00 13.86 N ATOM 1223 H HIS A 519 33.854 22.999 -5.542 1.00 0.00 H ATOM 1224 N ARG A 520 36.885 22.675 -4.569 1.00 12.41 N ATOM 1225 CA ARG A 520 38.295 22.357 -4.863 1.00 18.79 C ATOM 1226 C ARG A 520 39.096 21.792 -3.689 1.00 17.23 C ATOM 1227 O ARG A 520 40.228 21.347 -3.871 1.00 25.55 O ATOM 1228 CB ARG A 520 39.043 23.565 -5.435 1.00 22.57 C ATOM 1229 CG ARG A 520 38.410 24.166 -6.670 1.00 28.60 C ATOM 1230 CD ARG A 520 39.018 25.517 -6.993 1.00 32.77 C ATOM 1231 NE ARG A 520 38.359 26.147 -8.135 1.00 42.47 N ATOM 1232 CZ ARG A 520 38.753 26.024 -9.400 1.00 48.65 C ATOM 1233 NH1 ARG A 520 39.814 25.291 -9.711 1.00 49.21 N ATOM 1234 NH2 ARG A 520 38.080 26.639 -10.362 1.00 43.39 N ATOM 1235 HE ARG A 520 37.522 26.734 -7.945 1.00 0.00 H ATOM 1236 HH12 ARG A 520 40.112 25.203 -10.703 1.00 0.00 H ATOM 1237 HH11 ARG A 520 40.348 24.805 -8.962 1.00 0.00 H ATOM 1238 HH22 ARG A 520 38.385 26.545 -11.352 1.00 0.00 H ATOM 1239 HH21 ARG A 520 37.247 27.215 -10.127 1.00 0.00 H ATOM 1240 H ARG A 520 36.173 21.947 -4.783 1.00 0.00 H ATOM 1241 N ASP A 521 38.514 21.813 -2.498 1.00 11.80 N ATOM 1242 CA ASP A 521 39.163 21.263 -1.315 1.00 14.92 C ATOM 1243 C ASP A 521 38.088 20.805 -0.333 1.00 17.52 C ATOM 1244 O ASP A 521 38.118 21.138 0.852 1.00 10.87 O ATOM 1245 CB ASP A 521 40.102 22.291 -0.672 1.00 15.04 C ATOM 1246 CG ASP A 521 40.988 21.686 0.405 1.00 19.57 C ATOM 1247 OD1 ASP A 521 40.971 20.449 0.576 1.00 22.04 O ATOM 1248 OD2 ASP A 521 41.711 22.453 1.076 1.00 15.92 O ATOM 1249 H ASP A 521 37.568 22.234 -2.405 1.00 0.00 H ATOM 1250 N LEU A 522 37.126 20.044 -0.848 1.00 15.10 N ATOM 1251 CA LEU A 522 36.060 19.494 -0.022 1.00 19.00 C ATOM 1252 C LEU A 522 36.606 18.358 0.840 1.00 20.90 C ATOM 1253 O LEU A 522 37.285 17.457 0.346 1.00 10.26 O ATOM 1254 CB LEU A 522 34.911 18.980 -0.887 1.00 21.33 C ATOM 1255 CG LEU A 522 33.700 18.441 -0.120 1.00 10.29 C ATOM 1256 CD1 LEU A 522 33.070 19.515 0.768 1.00 10.27 C ATOM 1257 CD2 LEU A 522 32.680 17.892 -1.104 1.00 12.35 C ATOM 1258 H LEU A 522 37.135 19.836 -1.867 1.00 0.00 H ATOM 1259 N ALA A 523 36.286 18.406 2.127 1.00 11.02 N ATOM 1260 CA ALA A 523 36.827 17.485 3.112 1.00 10.79 C ATOM 1261 C ALA A 523 36.191 17.877 4.434 1.00 11.13 C ATOM 1262 O ALA A 523 35.695 18.994 4.578 1.00 17.06 O ATOM 1263 CB ALA A 523 38.346 17.601 3.185 1.00 10.03 C ATOM 1264 H ALA A 523 35.617 19.136 2.445 1.00 0.00 H ATOM 1265 N ALA A 524 36.197 16.962 5.395 1.00 11.94 N ATOM 1266 CA ALA A 524 35.559 17.206 6.683 1.00 14.10 C ATOM 1267 C ALA A 524 36.158 18.417 7.394 1.00 13.18 C ATOM 1268 O ALA A 524 35.446 19.163 8.070 1.00 24.85 O ATOM 1269 CB ALA A 524 35.672 15.970 7.556 1.00 17.53 C ATOM 1270 H ALA A 524 36.667 16.050 5.226 1.00 0.00 H ATOM 1271 N ARG A 525 37.462 18.616 7.231 1.00 16.23 N ATOM 1272 CA ARG A 525 38.150 19.732 7.871 1.00 11.94 C ATOM 1273 C ARG A 525 37.630 21.069 7.362 1.00 10.23 C ATOM 1274 O ARG A 525 37.771 22.093 8.034 1.00 13.58 O ATOM 1275 CB ARG A 525 39.654 19.644 7.618 1.00 11.87 C ATOM 1276 CG ARG A 525 40.001 19.613 6.150 1.00 13.88 C ATOM 1277 CD ARG A 525 41.488 19.657 5.885 1.00 17.85 C ATOM 1278 NE ARG A 525 41.729 19.621 4.447 1.00 10.91 N ATOM 1279 CZ ARG A 525 41.810 18.504 3.733 1.00 25.92 C ATOM 1280 NH1 ARG A 525 42.015 18.567 2.428 1.00 22.93 N ATOM 1281 NH2 ARG A 525 41.687 17.323 4.317 1.00 18.27 N ATOM 1282 HE ARG A 525 41.845 20.527 3.949 1.00 0.00 H ATOM 1283 HH12 ARG A 525 42.078 17.692 1.869 1.00 0.00 H ATOM 1284 HH11 ARG A 525 42.113 19.491 1.961 1.00 0.00 H ATOM 1285 HH22 ARG A 525 41.752 16.453 3.750 1.00 0.00 H ATOM 1286 HH21 ARG A 525 41.526 17.264 5.343 1.00 0.00 H ATOM 1287 H ARG A 525 38.005 17.961 6.633 1.00 0.00 H ATOM 1288 N ASN A 526 37.031 21.051 6.174 1.00 11.52 N ATOM 1289 CA ASN A 526 36.463 22.254 5.579 1.00 14.42 C ATOM 1290 C ASN A 526 34.937 22.177 5.540 1.00 12.47 C ATOM 1291 O ASN A 526 34.286 22.757 4.670 1.00 17.19 O ATOM 1292 CB ASN A 526 37.070 22.500 4.194 1.00 13.92 C ATOM 1293 CG ASN A 526 38.576 22.734 4.256 1.00 12.04 C ATOM 1294 OD1 ASN A 526 39.073 23.382 5.176 1.00 13.10 O ATOM 1295 ND2 ASN A 526 39.305 22.201 3.285 1.00 13.67 N ATOM 1296 HD22 ASN A 526 38.844 21.660 2.526 1.00 0.00 H ATOM 1297 HD21 ASN A 526 40.338 22.324 3.283 1.00 0.00 H ATOM 1298 H ASN A 526 36.966 20.152 5.655 1.00 0.00 H ATOM 1299 N CYS A 527 34.388 21.434 6.497 1.00 11.84 N ATOM 1300 CA CYS A 527 32.983 21.529 6.861 1.00 11.88 C ATOM 1301 C CYS A 527 32.931 21.944 8.323 1.00 15.16 C ATOM 1302 O CYS A 527 33.791 21.550 9.106 1.00 12.42 O ATOM 1303 CB CYS A 527 32.271 20.188 6.676 1.00 10.09 C ATOM 1304 SG CYS A 527 31.799 19.819 4.975 1.00 17.43 S ATOM 1305 H CYS A 527 34.989 20.756 7.007 1.00 0.00 H ATOM 1306 N LEU A 528 31.928 22.736 8.689 1.00 12.11 N ATOM 1307 CA LEU A 528 31.775 23.195 10.064 1.00 10.33 C ATOM 1308 C LEU A 528 30.441 22.724 10.621 1.00 10.31 C ATOM 1309 O LEU A 528 29.514 22.424 9.867 1.00 10.30 O ATOM 1310 CB LEU A 528 31.854 24.718 10.133 1.00 10.68 C ATOM 1311 CG LEU A 528 33.195 25.349 9.763 1.00 10.85 C ATOM 1312 CD1 LEU A 528 33.019 26.851 9.695 1.00 11.29 C ATOM 1313 CD2 LEU A 528 34.283 24.982 10.769 1.00 10.86 C ATOM 1314 H LEU A 528 31.234 23.036 7.975 1.00 0.00 H ATOM 1315 N VAL A 529 30.347 22.677 11.945 1.00 10.41 N ATOM 1316 CA VAL A 529 29.164 22.163 12.617 1.00 10.70 C ATOM 1317 C VAL A 529 28.677 23.172 13.647 1.00 10.83 C ATOM 1318 O VAL A 529 29.471 23.694 14.430 1.00 10.96 O ATOM 1319 CB VAL A 529 29.477 20.840 13.325 1.00 10.36 C ATOM 1320 CG1 VAL A 529 28.196 20.214 13.861 1.00 10.51 C ATOM 1321 CG2 VAL A 529 30.185 19.889 12.367 1.00 10.08 C ATOM 1322 H VAL A 529 31.144 23.018 12.519 1.00 0.00 H ATOM 1323 N ASN A 530 27.374 23.443 13.654 1.00 12.11 N ATOM 1324 CA ASN A 530 26.815 24.416 14.587 1.00 18.39 C ATOM 1325 C ASN A 530 26.311 23.767 15.877 1.00 14.68 C ATOM 1326 O ASN A 530 26.551 22.581 16.122 1.00 16.07 O ATOM 1327 CB ASN A 530 25.720 25.256 13.915 1.00 20.24 C ATOM 1328 CG ASN A 530 24.472 24.452 13.567 1.00 17.53 C ATOM 1329 OD1 ASN A 530 24.280 23.328 14.031 1.00 24.17 O ATOM 1330 ND2 ASN A 530 23.608 25.036 12.747 1.00 16.47 N ATOM 1331 HD22 ASN A 530 23.805 25.987 12.375 1.00 0.00 H ATOM 1332 HD21 ASN A 530 22.733 24.543 12.476 1.00 0.00 H ATOM 1333 H ASN A 530 26.745 22.954 12.985 1.00 0.00 H ATOM 1334 N ASP A 531 25.605 24.546 16.689 1.00 16.68 N ATOM 1335 CA ASP A 531 25.251 24.129 18.040 1.00 20.72 C ATOM 1336 C ASP A 531 24.110 23.113 18.049 1.00 16.79 C ATOM 1337 O ASP A 531 23.839 22.488 19.077 1.00 14.54 O ATOM 1338 CB ASP A 531 24.880 25.357 18.873 1.00 26.37 C ATOM 1339 CG ASP A 531 23.673 26.084 18.324 1.00 34.56 C ATOM 1340 OD1 ASP A 531 23.369 25.901 17.126 1.00 41.13 O ATOM 1341 OD2 ASP A 531 23.030 26.842 19.082 1.00 40.21 O ATOM 1342 H ASP A 531 25.296 25.480 16.351 1.00 0.00 H ATOM 1343 N GLN A 532 23.448 22.951 16.904 1.00 12.30 N ATOM 1344 CA GLN A 532 22.351 21.992 16.769 1.00 19.30 C ATOM 1345 C GLN A 532 22.739 20.779 15.931 1.00 17.82 C ATOM 1346 O GLN A 532 21.898 19.933 15.621 1.00 17.61 O ATOM 1347 CB GLN A 532 21.125 22.675 16.163 1.00 16.35 C ATOM 1348 CG GLN A 532 20.553 23.767 17.041 1.00 18.98 C ATOM 1349 CD GLN A 532 19.236 24.299 16.524 1.00 26.43 C ATOM 1350 OE1 GLN A 532 19.186 24.958 15.486 1.00 35.61 O ATOM 1351 NE2 GLN A 532 18.158 24.015 17.242 1.00 22.25 N ATOM 1352 HE22 GLN A 532 18.247 23.454 18.114 1.00 0.00 H ATOM 1353 HE21 GLN A 532 17.224 24.353 16.934 1.00 0.00 H ATOM 1354 H GLN A 532 23.720 23.524 16.080 1.00 0.00 H ATOM 1355 N GLY A 533 24.012 20.704 15.557 1.00 15.75 N ATOM 1356 CA GLY A 533 24.535 19.534 14.880 1.00 11.69 C ATOM 1357 C GLY A 533 24.406 19.592 13.371 1.00 12.97 C ATOM 1358 O GLY A 533 24.654 18.593 12.694 1.00 18.23 O ATOM 1359 H GLY A 533 24.648 21.503 15.755 1.00 0.00 H ATOM 1360 N VAL A 534 24.017 20.746 12.836 1.00 15.06 N ATOM 1361 CA VAL A 534 23.913 20.898 11.389 1.00 14.02 C ATOM 1362 C VAL A 534 25.285 21.143 10.769 1.00 12.40 C ATOM 1363 O VAL A 534 26.013 22.052 11.170 1.00 12.61 O ATOM 1364 CB VAL A 534 22.962 22.041 10.985 1.00 11.91 C ATOM 1365 CG1 VAL A 534 22.869 22.144 9.456 1.00 11.57 C ATOM 1366 CG2 VAL A 534 21.589 21.803 11.583 1.00 12.57 C ATOM 1367 H VAL A 534 23.785 21.548 13.456 1.00 0.00 H ATOM 1368 N VAL A 535 25.623 20.329 9.776 1.00 10.63 N ATOM 1369 CA VAL A 535 26.892 20.444 9.072 1.00 14.11 C ATOM 1370 C VAL A 535 26.749 21.430 7.914 1.00 16.00 C ATOM 1371 O VAL A 535 25.726 21.439 7.230 1.00 12.54 O ATOM 1372 CB VAL A 535 27.325 19.076 8.525 1.00 16.30 C ATOM 1373 CG1 VAL A 535 28.660 19.178 7.785 1.00 12.42 C ATOM 1374 CG2 VAL A 535 27.410 18.072 9.665 1.00 11.07 C ATOM 1375 H VAL A 535 24.957 19.583 9.491 1.00 0.00 H ATOM 1376 N LYS A 536 27.769 22.257 7.695 1.00 10.47 N ATOM 1377 CA LYS A 536 27.756 23.212 6.590 1.00 10.69 C ATOM 1378 C LYS A 536 29.110 23.280 5.894 1.00 15.45 C ATOM 1379 O LYS A 536 30.156 23.230 6.541 1.00 14.25 O ATOM 1380 CB LYS A 536 27.364 24.603 7.084 1.00 11.04 C ATOM 1381 CG LYS A 536 25.978 24.662 7.676 1.00 11.27 C ATOM 1382 CD LYS A 536 25.561 26.082 7.989 1.00 15.40 C ATOM 1383 CE LYS A 536 24.290 26.104 8.820 1.00 13.10 C ATOM 1384 NZ LYS A 536 23.574 27.404 8.724 1.00 19.02 N ATOM 1385 HZ1 LYS A 536 24.195 28.166 9.064 1.00 0.00 H ATOM 1386 HZ2 LYS A 536 23.314 27.583 7.733 1.00 0.00 H ATOM 1387 HZ3 LYS A 536 22.714 27.369 9.308 1.00 0.00 H ATOM 1388 H LYS A 536 28.595 22.222 8.326 1.00 0.00 H ATOM 1389 N VAL A 537 29.078 23.411 4.574 1.00 13.89 N ATOM 1390 CA VAL A 537 30.295 23.429 3.775 1.00 10.69 C ATOM 1391 C VAL A 537 30.990 24.786 3.861 1.00 14.53 C ATOM 1392 O VAL A 537 30.352 25.834 3.739 1.00 16.06 O ATOM 1393 CB VAL A 537 29.981 23.070 2.320 1.00 16.49 C ATOM 1394 CG1 VAL A 537 31.193 23.292 1.417 1.00 17.18 C ATOM 1395 CG2 VAL A 537 29.516 21.628 2.254 1.00 10.61 C ATOM 1396 H VAL A 537 28.158 23.503 4.097 1.00 0.00 H ATOM 1397 N SER A 538 32.307 24.752 4.057 1.00 13.55 N ATOM 1398 CA SER A 538 33.090 25.951 4.345 1.00 13.56 C ATOM 1399 C SER A 538 34.269 26.125 3.387 1.00 12.55 C ATOM 1400 O SER A 538 34.781 25.150 2.835 1.00 16.70 O ATOM 1401 CB SER A 538 33.622 25.872 5.777 1.00 11.09 C ATOM 1402 OG SER A 538 34.013 27.144 6.256 1.00 23.33 O ATOM 1403 HG SER A 538 33.233 27.754 6.244 1.00 0.00 H ATOM 1404 H SER A 538 32.797 23.836 4.003 1.00 0.00 H ATOM 1405 N ASP A 539 34.693 27.373 3.202 1.00 14.01 N ATOM 1406 CA ASP A 539 35.925 27.685 2.477 1.00 12.94 C ATOM 1407 C ASP A 539 35.892 27.194 1.029 1.00 15.08 C ATOM 1408 O ASP A 539 36.917 26.815 0.458 1.00 18.70 O ATOM 1409 CB ASP A 539 37.130 27.091 3.209 1.00 17.50 C ATOM 1410 CG ASP A 539 37.081 27.335 4.706 1.00 22.00 C ATOM 1411 OD1 ASP A 539 37.366 28.471 5.138 1.00 25.04 O ATOM 1412 OD2 ASP A 539 36.757 26.387 5.450 1.00 27.91 O ATOM 1413 H ASP A 539 34.127 28.156 3.587 1.00 0.00 H ATOM 1414 N PHE A 540 34.701 27.211 0.445 1.00 14.48 N ATOM 1415 CA PHE A 540 34.505 26.832 -0.953 1.00 15.06 C ATOM 1416 C PHE A 540 35.102 27.870 -1.908 1.00 15.04 C ATOM 1417 O PHE A 540 34.675 29.026 -1.929 1.00 18.29 O ATOM 1418 CB PHE A 540 33.005 26.618 -1.263 1.00 12.48 C ATOM 1419 CG PHE A 540 32.079 27.629 -0.602 1.00 12.69 C ATOM 1420 CD1 PHE A 540 31.636 27.437 0.700 1.00 12.33 C ATOM 1421 CD2 PHE A 540 31.646 28.758 -1.280 1.00 17.44 C ATOM 1422 CE1 PHE A 540 30.799 28.351 1.310 1.00 12.57 C ATOM 1423 CE2 PHE A 540 30.804 29.673 -0.667 1.00 16.07 C ATOM 1424 CZ PHE A 540 30.382 29.466 0.627 1.00 13.50 C ATOM 1425 H PHE A 540 33.875 27.505 1.004 1.00 0.00 H ATOM 1426 N GLY A 541 36.101 27.452 -2.685 1.00 18.01 N ATOM 1427 CA GLY A 541 36.674 28.283 -3.734 1.00 21.70 C ATOM 1428 C GLY A 541 37.946 29.024 -3.356 1.00 22.84 C ATOM 1429 O GLY A 541 38.595 29.618 -4.220 1.00 22.01 O ATOM 1430 H GLY A 541 36.485 26.497 -2.536 1.00 0.00 H ATOM 1431 N LEU A 542 38.311 28.989 -2.078 1.00 15.51 N ATOM 1432 CA LEU A 542 39.454 29.765 -1.587 1.00 16.68 C ATOM 1433 C LEU A 542 40.807 29.181 -1.977 1.00 14.76 C ATOM 1434 O LEU A 542 41.816 29.888 -1.954 1.00 24.72 O ATOM 1435 CB LEU A 542 39.406 29.885 -0.066 1.00 14.41 C ATOM 1436 CG LEU A 542 38.226 30.644 0.534 1.00 22.59 C ATOM 1437 CD1 LEU A 542 38.314 30.554 2.044 1.00 24.56 C ATOM 1438 CD2 LEU A 542 38.203 32.102 0.077 1.00 27.91 C ATOM 1439 H LEU A 542 37.774 28.398 -1.412 1.00 0.00 H ATOM 1440 N SER A 543 40.831 27.895 -2.308 1.00 17.17 N ATOM 1441 CA SER A 543 42.070 27.219 -2.672 1.00 29.30 C ATOM 1442 C SER A 543 42.741 27.922 -3.843 1.00 21.23 C ATOM 1443 O SER A 543 43.969 27.957 -3.941 1.00 21.51 O ATOM 1444 CB SER A 543 41.774 25.779 -3.067 1.00 27.95 C ATOM 1445 OG SER A 543 41.080 25.747 -4.298 1.00 33.12 O ATOM 1446 HG SER A 543 40.893 24.807 -4.546 1.00 0.00 H ATOM 1447 H SER A 543 39.942 27.356 -2.307 1.00 0.00 H ATOM 1448 N ARG A 544 41.920 28.479 -4.727 1.00 20.56 N ATOM 1449 CA ARG A 544 42.405 29.175 -5.911 1.00 27.23 C ATOM 1450 C ARG A 544 43.308 30.352 -5.547 1.00 33.35 C ATOM 1451 O ARG A 544 44.135 30.784 -6.355 1.00 37.87 O ATOM 1452 CB ARG A 544 41.218 29.677 -6.740 1.00 25.80 C ATOM 1453 H ARG A 544 40.894 28.416 -4.568 1.00 0.00 H ATOM 1454 N TYR A 545 43.158 30.852 -4.324 1.00 25.94 N ATOM 1455 CA TYR A 545 43.815 32.085 -3.903 1.00 23.50 C ATOM 1456 C TYR A 545 44.994 31.827 -2.976 1.00 25.70 C ATOM 1457 O TYR A 545 45.640 32.766 -2.517 1.00 26.34 O ATOM 1458 CB TYR A 545 42.797 32.993 -3.210 1.00 27.02 C ATOM 1459 CG TYR A 545 41.602 33.295 -4.085 1.00 32.27 C ATOM 1460 CD1 TYR A 545 41.737 34.059 -5.232 1.00 38.87 C ATOM 1461 CD2 TYR A 545 40.344 32.802 -3.775 1.00 38.33 C ATOM 1462 CE1 TYR A 545 40.650 34.326 -6.044 1.00 44.03 C ATOM 1463 CE2 TYR A 545 39.251 33.069 -4.580 1.00 37.79 C ATOM 1464 CZ TYR A 545 39.410 33.831 -5.713 1.00 41.93 C ATOM 1465 OH TYR A 545 38.328 34.104 -6.521 1.00 43.88 O ATOM 1466 HH TYR A 545 38.621 34.660 -7.286 1.00 0.00 H ATOM 1467 H TYR A 545 42.553 30.348 -3.645 1.00 0.00 H ATOM 1468 N VAL A 546 45.286 30.558 -2.713 1.00 22.29 N ATOM 1469 CA VAL A 546 46.377 30.219 -1.808 1.00 20.73 C ATOM 1470 C VAL A 546 47.733 30.391 -2.483 1.00 27.59 C ATOM 1471 O VAL A 546 47.951 29.915 -3.599 1.00 27.57 O ATOM 1472 CB VAL A 546 46.252 28.776 -1.276 1.00 23.13 C ATOM 1473 CG1 VAL A 546 47.491 28.386 -0.458 1.00 21.70 C ATOM 1474 CG2 VAL A 546 44.996 28.645 -0.432 1.00 21.61 C ATOM 1475 H VAL A 546 44.731 29.799 -3.157 1.00 0.00 H ATOM 1476 N LEU A 547 48.636 31.079 -1.791 1.00 33.12 N ATOM 1477 CA LEU A 547 50.024 31.194 -2.219 1.00 33.50 C ATOM 1478 C LEU A 547 50.894 30.339 -1.310 1.00 37.34 C ATOM 1479 O LEU A 547 51.421 30.817 -0.307 1.00 41.52 O ATOM 1480 CB LEU A 547 50.500 32.642 -2.155 1.00 31.58 C ATOM 1481 CG LEU A 547 49.798 33.644 -3.068 1.00 30.34 C ATOM 1482 CD1 LEU A 547 50.408 35.015 -2.838 1.00 28.48 C ATOM 1483 CD2 LEU A 547 49.901 33.237 -4.541 1.00 28.75 C ATOM 1484 H LEU A 547 48.341 31.552 -0.913 1.00 0.00 H ATOM 1485 N ASP A 548 51.023 29.065 -1.656 1.00 29.53 N ATOM 1486 CA ASP A 548 51.883 28.153 -0.923 1.00 23.14 C ATOM 1487 C ASP A 548 52.107 26.948 -1.814 1.00 28.69 C ATOM 1488 O ASP A 548 51.198 26.149 -2.039 1.00 28.58 O ATOM 1489 CB ASP A 548 51.244 27.736 0.403 1.00 29.47 C ATOM 1490 CG ASP A 548 52.195 26.959 1.295 1.00 35.18 C ATOM 1491 OD1 ASP A 548 53.259 26.517 0.812 1.00 37.02 O ATOM 1492 OD2 ASP A 548 51.872 26.785 2.487 1.00 38.33 O ATOM 1493 H ASP A 548 50.493 28.709 -2.477 1.00 0.00 H ATOM 1494 N ASP A 549 53.320 26.839 -2.339 1.00 26.21 N ATOM 1495 CA ASP A 549 53.652 25.796 -3.294 1.00 31.52 C ATOM 1496 C ASP A 549 53.382 24.403 -2.735 1.00 27.42 C ATOM 1497 O ASP A 549 53.041 23.484 -3.479 1.00 34.93 O ATOM 1498 CB ASP A 549 55.115 25.937 -3.713 1.00 41.03 C ATOM 1499 CG ASP A 549 55.367 27.190 -4.536 1.00 48.85 C ATOM 1500 OD1 ASP A 549 54.389 27.780 -5.048 1.00 58.79 O ATOM 1501 OD2 ASP A 549 56.543 27.587 -4.676 1.00 45.03 O ATOM 1502 H ASP A 549 54.055 27.520 -2.059 1.00 0.00 H ATOM 1503 N GLU A 550 53.513 24.259 -1.421 1.00 29.07 N ATOM 1504 CA GLU A 550 53.251 22.988 -0.755 1.00 32.33 C ATOM 1505 C GLU A 550 51.770 22.614 -0.805 1.00 23.32 C ATOM 1506 O GLU A 550 51.413 21.446 -0.633 1.00 26.51 O ATOM 1507 CB GLU A 550 53.722 23.054 0.699 1.00 35.50 C ATOM 1508 CG GLU A 550 55.232 23.171 0.851 1.00 40.33 C ATOM 1509 CD GLU A 550 55.964 21.904 0.443 1.00 46.11 C ATOM 1510 OE1 GLU A 550 55.304 20.865 0.244 1.00 45.64 O ATOM 1511 OE2 GLU A 550 57.206 21.950 0.322 1.00 53.81 O ATOM 1512 H GLU A 550 53.811 25.076 -0.851 1.00 0.00 H ATOM 1513 N TYR A 551 50.916 23.606 -1.044 1.00 18.33 N ATOM 1514 CA TYR A 551 49.472 23.384 -1.112 1.00 17.06 C ATOM 1515 C TYR A 551 48.968 23.366 -2.552 1.00 23.50 C ATOM 1516 O TYR A 551 48.043 22.625 -2.885 1.00 19.97 O ATOM 1517 CB TYR A 551 48.724 24.469 -0.330 1.00 17.55 C ATOM 1518 CG TYR A 551 47.212 24.398 -0.483 1.00 20.32 C ATOM 1519 CD1 TYR A 551 46.438 23.632 0.379 1.00 19.01 C ATOM 1520 CD2 TYR A 551 46.561 25.091 -1.493 1.00 23.64 C ATOM 1521 CE1 TYR A 551 45.063 23.561 0.238 1.00 20.96 C ATOM 1522 CE2 TYR A 551 45.185 25.024 -1.640 1.00 23.54 C ATOM 1523 CZ TYR A 551 44.441 24.257 -0.770 1.00 26.91 C ATOM 1524 OH TYR A 551 43.070 24.183 -0.905 1.00 28.89 O ATOM 1525 HH TYR A 551 42.702 23.593 -0.201 1.00 0.00 H ATOM 1526 H TYR A 551 51.286 24.567 -1.187 1.00 0.00 H ATOM 1527 N THR A 552 49.573 24.189 -3.402 1.00 19.41 N ATOM 1528 CA THR A 552 49.118 24.342 -4.780 1.00 21.27 C ATOM 1529 C THR A 552 49.648 23.230 -5.677 1.00 27.88 C ATOM 1530 O THR A 552 49.011 22.869 -6.666 1.00 32.09 O ATOM 1531 CB THR A 552 49.569 25.692 -5.360 1.00 20.19 C ATOM 1532 OG1 THR A 552 50.999 25.763 -5.340 1.00 27.62 O ATOM 1533 CG2 THR A 552 48.987 26.848 -4.551 1.00 24.46 C ATOM 1534 HG1 THR A 552 51.319 25.679 -4.407 1.00 0.00 H ATOM 1535 H THR A 552 50.393 24.739 -3.076 1.00 0.00 H ATOM 1536 N SER A 553 50.816 22.694 -5.334 1.00 28.34 N ATOM 1537 CA SER A 553 51.415 21.615 -6.111 1.00 25.73 C ATOM 1538 C SER A 553 50.869 20.259 -5.689 1.00 22.39 C ATOM 1539 O SER A 553 50.750 19.969 -4.501 1.00 21.44 O ATOM 1540 CB SER A 553 52.936 21.611 -5.964 1.00 28.40 C ATOM 1541 OG SER A 553 53.487 20.460 -6.577 1.00 31.80 O ATOM 1542 HG SER A 553 54.472 20.472 -6.474 1.00 0.00 H ATOM 1543 H SER A 553 51.313 23.052 -4.493 1.00 0.00 H ATOM 1544 N SER A 554 50.550 19.434 -6.679 1.00 21.35 N ATOM 1545 CA SER A 554 50.030 18.092 -6.449 1.00 25.27 C ATOM 1546 C SER A 554 51.034 17.178 -5.740 1.00 28.74 C ATOM 1547 O SER A 554 50.647 16.162 -5.158 1.00 20.36 O ATOM 1548 CB SER A 554 49.615 17.477 -7.784 1.00 36.01 C ATOM 1549 OG SER A 554 50.666 17.565 -8.727 1.00 43.81 O ATOM 1550 HG SER A 554 50.899 18.516 -8.872 1.00 0.00 H ATOM 1551 H SER A 554 50.676 19.759 -7.659 1.00 0.00 H ATOM 1552 N VAL A 555 52.313 17.540 -5.796 1.00 24.02 N ATOM 1553 CA VAL A 555 53.358 16.804 -5.088 1.00 25.53 C ATOM 1554 C VAL A 555 53.781 17.553 -3.825 1.00 29.91 C ATOM 1555 O VAL A 555 54.774 17.204 -3.184 1.00 33.19 O ATOM 1556 CB VAL A 555 54.586 16.537 -5.994 1.00 27.46 C ATOM 1557 CG1 VAL A 555 54.206 15.593 -7.129 1.00 20.41 C ATOM 1558 CG2 VAL A 555 55.164 17.841 -6.546 1.00 25.86 C ATOM 1559 H VAL A 555 52.577 18.372 -6.361 1.00 0.00 H ATOM 1560 N GLY A 556 53.010 18.576 -3.466 1.00 20.75 N ATOM 1561 CA GLY A 556 53.251 19.327 -2.249 1.00 27.22 C ATOM 1562 C GLY A 556 52.750 18.597 -1.017 1.00 22.55 C ATOM 1563 O GLY A 556 51.908 17.702 -1.110 1.00 22.28 O ATOM 1564 H GLY A 556 52.211 18.845 -4.076 1.00 0.00 H ATOM 1565 N SER A 557 53.264 18.995 0.142 1.00 25.30 N ATOM 1566 CA SER A 557 52.975 18.319 1.402 1.00 27.21 C ATOM 1567 C SER A 557 51.572 18.615 1.931 1.00 22.35 C ATOM 1568 O SER A 557 51.040 17.858 2.745 1.00 32.92 O ATOM 1569 CB SER A 557 54.010 18.732 2.449 1.00 35.83 C ATOM 1570 OG SER A 557 53.941 20.122 2.697 1.00 38.69 O ATOM 1571 HG SER A 557 54.120 20.615 1.857 1.00 0.00 H ATOM 1572 H SER A 557 53.897 19.820 0.151 1.00 0.00 H ATOM 1573 N LYS A 558 50.978 19.712 1.468 1.00 20.66 N ATOM 1574 CA LYS A 558 49.687 20.172 1.983 1.00 16.03 C ATOM 1575 C LYS A 558 48.550 19.949 0.996 1.00 18.24 C ATOM 1576 O LYS A 558 47.389 20.221 1.302 1.00 20.72 O ATOM 1577 CB LYS A 558 49.753 21.660 2.306 1.00 20.88 C ATOM 1578 CG LYS A 558 50.746 22.020 3.373 1.00 26.82 C ATOM 1579 CD LYS A 558 50.666 23.500 3.649 1.00 34.79 C ATOM 1580 CE LYS A 558 51.802 23.995 4.515 1.00 37.60 C ATOM 1581 NZ LYS A 558 51.729 25.471 4.651 1.00 35.67 N ATOM 1582 HZ1 LYS A 558 51.799 25.908 3.710 1.00 0.00 H ATOM 1583 HZ2 LYS A 558 50.823 25.733 5.090 1.00 0.00 H ATOM 1584 HZ3 LYS A 558 52.514 25.802 5.248 1.00 0.00 H ATOM 1585 H LYS A 558 51.445 20.259 0.717 1.00 0.00 H ATOM 1586 N PHE A 559 48.890 19.475 -0.195 1.00 22.43 N ATOM 1587 CA PHE A 559 47.893 19.234 -1.225 1.00 23.49 C ATOM 1588 C PHE A 559 46.915 18.140 -0.776 1.00 17.27 C ATOM 1589 O PHE A 559 47.333 17.150 -0.178 1.00 24.50 O ATOM 1590 CB PHE A 559 48.588 18.829 -2.523 1.00 20.75 C ATOM 1591 CG PHE A 559 47.691 18.867 -3.732 1.00 21.47 C ATOM 1592 CD1 PHE A 559 46.973 17.751 -4.113 1.00 18.75 C ATOM 1593 CD2 PHE A 559 47.565 20.021 -4.485 1.00 23.02 C ATOM 1594 CE1 PHE A 559 46.148 17.785 -5.219 1.00 14.96 C ATOM 1595 CE2 PHE A 559 46.740 20.058 -5.592 1.00 20.88 C ATOM 1596 CZ PHE A 559 46.032 18.939 -5.958 1.00 20.08 C ATOM 1597 H PHE A 559 49.890 19.272 -0.396 1.00 0.00 H ATOM 1598 N PRO A 560 45.607 18.317 -1.053 1.00 21.11 N ATOM 1599 CA PRO A 560 44.614 17.307 -0.658 1.00 14.40 C ATOM 1600 C PRO A 560 44.577 16.106 -1.608 1.00 13.51 C ATOM 1601 O PRO A 560 43.598 15.885 -2.324 1.00 15.20 O ATOM 1602 CB PRO A 560 43.297 18.088 -0.687 1.00 17.17 C ATOM 1603 CG PRO A 560 43.508 19.130 -1.741 1.00 19.61 C ATOM 1604 CD PRO A 560 44.968 19.512 -1.638 1.00 19.79 C ATOM 1605 N VAL A 561 45.659 15.336 -1.594 1.00 16.96 N ATOM 1606 CA VAL A 561 45.808 14.152 -2.434 1.00 13.69 C ATOM 1607 C VAL A 561 44.730 13.108 -2.154 1.00 11.96 C ATOM 1608 O VAL A 561 44.172 12.511 -3.077 1.00 11.98 O ATOM 1609 CB VAL A 561 47.200 13.526 -2.200 1.00 13.80 C ATOM 1610 CG1 VAL A 561 47.349 12.174 -2.906 1.00 15.00 C ATOM 1611 CG2 VAL A 561 48.285 14.499 -2.653 1.00 14.62 C ATOM 1612 H VAL A 561 46.438 15.589 -0.953 1.00 0.00 H ATOM 1613 N ARG A 562 44.447 12.890 -0.876 1.00 11.64 N ATOM 1614 CA ARG A 562 43.532 11.834 -0.455 1.00 12.74 C ATOM 1615 C ARG A 562 42.080 12.155 -0.785 1.00 11.26 C ATOM 1616 O ARG A 562 41.209 11.291 -0.672 1.00 14.94 O ATOM 1617 CB ARG A 562 43.697 11.593 1.046 1.00 11.16 C ATOM 1618 CG ARG A 562 45.078 11.084 1.409 1.00 11.56 C ATOM 1619 CD ARG A 562 45.470 11.390 2.840 1.00 11.57 C ATOM 1620 NE ARG A 562 46.923 11.351 2.986 1.00 14.34 N ATOM 1621 CZ ARG A 562 47.623 10.265 3.292 1.00 18.07 C ATOM 1622 NH1 ARG A 562 48.939 10.339 3.387 1.00 23.58 N ATOM 1623 NH2 ARG A 562 47.013 9.110 3.506 1.00 15.21 N ATOM 1624 HE ARG A 562 47.447 12.238 2.840 1.00 0.00 H ATOM 1625 HH12 ARG A 562 49.492 9.491 3.626 1.00 0.00 H ATOM 1626 HH11 ARG A 562 49.422 11.245 3.222 1.00 0.00 H ATOM 1627 HH22 ARG A 562 47.569 8.265 3.745 1.00 0.00 H ATOM 1628 HH21 ARG A 562 45.977 9.048 3.435 1.00 0.00 H ATOM 1629 H ARG A 562 44.891 13.490 -0.152 1.00 0.00 H ATOM 1630 N TRP A 563 41.826 13.394 -1.193 1.00 11.67 N ATOM 1631 CA TRP A 563 40.487 13.819 -1.588 1.00 13.27 C ATOM 1632 C TRP A 563 40.416 14.129 -3.076 1.00 15.97 C ATOM 1633 O TRP A 563 39.427 14.689 -3.552 1.00 13.17 O ATOM 1634 CB TRP A 563 40.079 15.049 -0.780 1.00 10.65 C ATOM 1635 CG TRP A 563 39.827 14.726 0.658 1.00 14.29 C ATOM 1636 CD1 TRP A 563 38.624 14.456 1.239 1.00 11.22 C ATOM 1637 CD2 TRP A 563 40.806 14.609 1.694 1.00 10.40 C ATOM 1638 NE1 TRP A 563 38.792 14.188 2.575 1.00 9.95 N ATOM 1639 CE2 TRP A 563 40.125 14.276 2.880 1.00 10.14 C ATOM 1640 CE3 TRP A 563 42.194 14.758 1.736 1.00 14.75 C ATOM 1641 CZ2 TRP A 563 40.781 14.090 4.092 1.00 11.36 C ATOM 1642 CZ3 TRP A 563 42.840 14.576 2.940 1.00 15.72 C ATOM 1643 CH2 TRP A 563 42.136 14.241 4.098 1.00 13.06 C ATOM 1644 HE1 TRP A 563 38.032 13.956 3.246 1.00 0.00 H ATOM 1645 H TRP A 563 42.605 14.082 -1.232 1.00 0.00 H ATOM 1646 N SER A 564 41.457 13.751 -3.811 1.00 11.51 N ATOM 1647 CA SER A 564 41.573 14.124 -5.216 1.00 15.63 C ATOM 1648 C SER A 564 41.461 12.922 -6.161 1.00 16.77 C ATOM 1649 O SER A 564 42.003 11.855 -5.876 1.00 18.27 O ATOM 1650 CB SER A 564 42.904 14.839 -5.453 1.00 14.32 C ATOM 1651 OG SER A 564 42.848 16.189 -5.021 1.00 13.77 O ATOM 1652 HG SER A 564 42.643 16.216 -4.053 1.00 0.00 H ATOM 1653 H SER A 564 42.206 13.176 -3.374 1.00 0.00 H ATOM 1654 N PRO A 565 40.747 13.091 -7.288 1.00 12.39 N ATOM 1655 CA PRO A 565 40.672 12.020 -8.287 1.00 12.72 C ATOM 1656 C PRO A 565 41.932 11.986 -9.155 1.00 17.03 C ATOM 1657 O PRO A 565 42.749 12.906 -9.069 1.00 17.21 O ATOM 1658 CB PRO A 565 39.462 12.419 -9.129 1.00 17.03 C ATOM 1659 CG PRO A 565 39.456 13.922 -9.070 1.00 12.89 C ATOM 1660 CD PRO A 565 39.976 14.282 -7.697 1.00 12.47 C ATOM 1661 N PRO A 566 42.089 10.941 -9.987 1.00 25.24 N ATOM 1662 CA PRO A 566 43.281 10.783 -10.834 1.00 18.18 C ATOM 1663 C PRO A 566 43.527 11.969 -11.770 1.00 18.93 C ATOM 1664 O PRO A 566 44.677 12.379 -11.938 1.00 18.59 O ATOM 1665 CB PRO A 566 42.972 9.525 -11.656 1.00 19.77 C ATOM 1666 CG PRO A 566 41.957 8.765 -10.843 1.00 21.62 C ATOM 1667 CD PRO A 566 41.155 9.807 -10.118 1.00 19.37 C ATOM 1668 N GLU A 567 42.466 12.511 -12.364 1.00 17.60 N ATOM 1669 CA GLU A 567 42.616 13.573 -13.357 1.00 19.13 C ATOM 1670 C GLU A 567 43.171 14.855 -12.735 1.00 16.08 C ATOM 1671 O GLU A 567 43.770 15.680 -13.428 1.00 25.73 O ATOM 1672 CB GLU A 567 41.289 13.854 -14.083 1.00 15.46 C ATOM 1673 CG GLU A 567 40.172 14.437 -13.220 1.00 18.96 C ATOM 1674 CD GLU A 567 39.292 13.377 -12.584 1.00 21.32 C ATOM 1675 OE1 GLU A 567 39.677 12.190 -12.584 1.00 18.55 O ATOM 1676 OE2 GLU A 567 38.204 13.737 -12.087 1.00 21.18 O ATOM 1677 H GLU A 567 41.514 12.173 -12.117 1.00 0.00 H ATOM 1678 N VAL A 568 42.975 15.015 -11.429 1.00 14.82 N ATOM 1679 CA VAL A 568 43.511 16.163 -10.702 1.00 18.32 C ATOM 1680 C VAL A 568 44.987 15.943 -10.390 1.00 19.70 C ATOM 1681 O VAL A 568 45.812 16.845 -10.551 1.00 28.02 O ATOM 1682 CB VAL A 568 42.730 16.406 -9.388 1.00 13.86 C ATOM 1683 CG1 VAL A 568 43.531 17.273 -8.396 1.00 13.81 C ATOM 1684 CG2 VAL A 568 41.384 17.049 -9.693 1.00 15.78 C ATOM 1685 H VAL A 568 42.424 14.302 -10.910 1.00 0.00 H ATOM 1686 N LEU A 569 45.308 14.736 -9.937 1.00 17.30 N ATOM 1687 CA LEU A 569 46.673 14.384 -9.572 1.00 19.66 C ATOM 1688 C LEU A 569 47.568 14.316 -10.805 1.00 17.76 C ATOM 1689 O LEU A 569 48.777 14.550 -10.722 1.00 18.98 O ATOM 1690 CB LEU A 569 46.691 13.034 -8.855 1.00 26.35 C ATOM 1691 CG LEU A 569 45.996 12.962 -7.494 1.00 25.70 C ATOM 1692 CD1 LEU A 569 45.945 11.514 -7.035 1.00 26.13 C ATOM 1693 CD2 LEU A 569 46.694 13.837 -6.449 1.00 20.01 C ATOM 1694 H LEU A 569 44.560 14.020 -9.840 1.00 0.00 H ATOM 1695 N MET A 570 46.967 13.991 -11.946 1.00 20.82 N ATOM 1696 CA MET A 570 47.704 13.839 -13.197 1.00 22.00 C ATOM 1697 C MET A 570 47.717 15.110 -14.040 1.00 21.48 C ATOM 1698 O MET A 570 48.777 15.552 -14.484 1.00 26.81 O ATOM 1699 CB MET A 570 47.086 12.713 -14.031 1.00 21.45 C ATOM 1700 CG MET A 570 47.323 11.317 -13.489 1.00 28.22 C ATOM 1701 SD MET A 570 46.699 10.046 -14.605 1.00 37.45 S ATOM 1702 CE MET A 570 46.960 8.578 -13.624 1.00 30.01 C ATOM 1703 H MET A 570 45.938 13.840 -11.947 1.00 0.00 H ATOM 1704 N TYR A 571 46.536 15.682 -14.263 1.00 27.64 N ATOM 1705 CA TYR A 571 46.357 16.747 -15.246 1.00 28.56 C ATOM 1706 C TYR A 571 45.835 18.043 -14.630 1.00 26.55 C ATOM 1707 O TYR A 571 45.641 19.031 -15.339 1.00 28.89 O ATOM 1708 CB TYR A 571 45.383 16.280 -16.333 1.00 31.51 C ATOM 1709 CG TYR A 571 45.635 14.863 -16.811 1.00 31.60 C ATOM 1710 CD1 TYR A 571 46.818 14.525 -17.450 1.00 35.69 C ATOM 1711 CD2 TYR A 571 44.692 13.864 -16.616 1.00 26.79 C ATOM 1712 CE1 TYR A 571 47.055 13.234 -17.879 1.00 40.68 C ATOM 1713 CE2 TYR A 571 44.920 12.572 -17.044 1.00 36.73 C ATOM 1714 CZ TYR A 571 46.100 12.261 -17.675 1.00 45.15 C ATOM 1715 OH TYR A 571 46.323 10.969 -18.096 1.00 47.40 O ATOM 1716 HH TYR A 571 47.212 10.913 -18.528 1.00 0.00 H ATOM 1717 H TYR A 571 45.711 15.359 -13.718 1.00 0.00 H ATOM 1718 N SER A 572 45.621 18.028 -13.317 1.00 24.63 N ATOM 1719 CA SER A 572 45.057 19.170 -12.602 1.00 25.37 C ATOM 1720 C SER A 572 43.762 19.651 -13.259 1.00 26.93 C ATOM 1721 O SER A 572 43.526 20.853 -13.387 1.00 27.35 O ATOM 1722 CB SER A 572 46.078 20.308 -12.518 1.00 27.65 C ATOM 1723 OG SER A 572 47.196 19.933 -11.732 1.00 28.87 O ATOM 1724 HG SER A 572 47.839 20.685 -11.694 1.00 0.00 H ATOM 1725 H SER A 572 45.864 17.171 -12.780 1.00 0.00 H ATOM 1726 N LYS A 573 42.937 18.699 -13.685 1.00 29.36 N ATOM 1727 CA LYS A 573 41.636 19.001 -14.279 1.00 27.59 C ATOM 1728 C LYS A 573 40.547 19.025 -13.215 1.00 26.55 C ATOM 1729 O LYS A 573 39.956 17.994 -12.890 1.00 29.34 O ATOM 1730 CB LYS A 573 41.271 17.955 -15.327 1.00 32.54 C ATOM 1731 CG LYS A 573 41.888 18.201 -16.677 1.00 42.16 C ATOM 1732 CD LYS A 573 41.708 17.008 -17.588 1.00 46.69 C ATOM 1733 CE LYS A 573 42.316 17.276 -18.942 1.00 57.67 C ATOM 1734 NZ LYS A 573 42.394 16.041 -19.768 1.00 58.95 N ATOM 1735 HZ1 LYS A 573 42.982 15.335 -19.280 1.00 0.00 H ATOM 1736 HZ2 LYS A 573 41.437 15.659 -19.909 1.00 0.00 H ATOM 1737 HZ3 LYS A 573 42.818 16.268 -20.690 1.00 0.00 H ATOM 1738 H LYS A 573 43.228 17.705 -13.592 1.00 0.00 H ATOM 1739 N PHE A 574 40.284 20.206 -12.673 1.00 26.70 N ATOM 1740 CA PHE A 574 39.218 20.372 -11.697 1.00 19.21 C ATOM 1741 C PHE A 574 37.865 20.519 -12.370 1.00 21.62 C ATOM 1742 O PHE A 574 37.723 21.213 -13.376 1.00 26.39 O ATOM 1743 CB PHE A 574 39.501 21.581 -10.816 1.00 29.07 C ATOM 1744 CG PHE A 574 40.628 21.359 -9.863 1.00 33.14 C ATOM 1745 CD1 PHE A 574 41.929 21.629 -10.236 1.00 35.42 C ATOM 1746 CD2 PHE A 574 40.390 20.843 -8.605 1.00 35.85 C ATOM 1747 CE1 PHE A 574 42.971 21.408 -9.362 1.00 34.36 C ATOM 1748 CE2 PHE A 574 41.426 20.619 -7.730 1.00 37.24 C ATOM 1749 CZ PHE A 574 42.719 20.902 -8.107 1.00 34.87 C ATOM 1750 H PHE A 574 40.852 21.032 -12.952 1.00 0.00 H ATOM 1751 N SER A 575 36.870 19.851 -11.803 1.00 19.73 N ATOM 1752 CA SER A 575 35.516 19.935 -12.307 1.00 26.81 C ATOM 1753 C SER A 575 34.561 19.573 -11.190 1.00 26.52 C ATOM 1754 O SER A 575 34.979 19.257 -10.076 1.00 27.84 O ATOM 1755 CB SER A 575 35.324 18.971 -13.478 1.00 24.24 C ATOM 1756 OG SER A 575 35.129 17.648 -13.016 1.00 26.23 O ATOM 1757 HG SER A 575 35.920 17.362 -12.494 1.00 0.00 H ATOM 1758 H SER A 575 37.067 19.252 -10.976 1.00 0.00 H ATOM 1759 N SER A 576 33.275 19.632 -11.501 1.00 15.10 N ATOM 1760 CA SER A 576 32.241 19.141 -10.611 1.00 22.59 C ATOM 1761 C SER A 576 32.568 17.731 -10.136 1.00 18.70 C ATOM 1762 O SER A 576 32.331 17.380 -8.981 1.00 18.74 O ATOM 1763 CB SER A 576 30.920 19.112 -11.366 1.00 31.13 C ATOM 1764 OG SER A 576 31.050 18.300 -12.519 1.00 41.47 O ATOM 1765 HG SER A 576 30.189 18.283 -13.008 1.00 0.00 H ATOM 1766 H SER A 576 32.997 20.044 -12.414 1.00 0.00 H ATOM 1767 N LYS A 577 33.127 16.930 -11.038 1.00 13.80 N ATOM 1768 CA LYS A 577 33.360 15.514 -10.777 1.00 20.18 C ATOM 1769 C LYS A 577 34.524 15.286 -9.821 1.00 13.03 C ATOM 1770 O LYS A 577 34.621 14.228 -9.201 1.00 18.52 O ATOM 1771 CB LYS A 577 33.605 14.780 -12.095 1.00 18.99 C ATOM 1772 CG LYS A 577 32.495 14.984 -13.118 1.00 14.72 C ATOM 1773 CD LYS A 577 31.132 14.610 -12.552 1.00 14.57 C ATOM 1774 CE LYS A 577 30.103 14.409 -13.644 1.00 17.70 C ATOM 1775 NZ LYS A 577 28.749 14.183 -13.071 1.00 21.61 N ATOM 1776 HZ1 LYS A 577 28.766 13.335 -12.469 1.00 0.00 H ATOM 1777 HZ2 LYS A 577 28.473 15.008 -12.501 1.00 0.00 H ATOM 1778 HZ3 LYS A 577 28.065 14.049 -13.843 1.00 0.00 H ATOM 1779 H LYS A 577 33.407 17.325 -11.958 1.00 0.00 H ATOM 1780 N SER A 578 35.406 16.274 -9.707 1.00 17.73 N ATOM 1781 CA SER A 578 36.467 16.217 -8.711 1.00 13.66 C ATOM 1782 C SER A 578 35.899 16.534 -7.333 1.00 12.14 C ATOM 1783 O SER A 578 36.350 15.982 -6.327 1.00 13.70 O ATOM 1784 CB SER A 578 37.596 17.185 -9.058 1.00 16.87 C ATOM 1785 OG SER A 578 37.108 18.502 -9.212 1.00 22.07 O ATOM 1786 HG SER A 578 36.686 18.797 -8.367 1.00 0.00 H ATOM 1787 H SER A 578 35.337 17.098 -10.337 1.00 0.00 H ATOM 1788 N ASP A 579 34.911 17.423 -7.286 1.00 12.44 N ATOM 1789 CA ASP A 579 34.191 17.688 -6.045 1.00 11.80 C ATOM 1790 C ASP A 579 33.380 16.460 -5.639 1.00 17.30 C ATOM 1791 O ASP A 579 33.216 16.176 -4.452 1.00 19.24 O ATOM 1792 CB ASP A 579 33.261 18.895 -6.201 1.00 13.98 C ATOM 1793 CG ASP A 579 33.977 20.221 -6.018 1.00 16.20 C ATOM 1794 OD1 ASP A 579 35.174 20.227 -5.659 1.00 17.15 O ATOM 1795 OD2 ASP A 579 33.331 21.268 -6.224 1.00 15.60 O ATOM 1796 H ASP A 579 34.647 17.939 -8.150 1.00 0.00 H ATOM 1797 N ILE A 580 32.876 15.737 -6.636 1.00 23.17 N ATOM 1798 CA ILE A 580 32.101 14.520 -6.400 1.00 11.80 C ATOM 1799 C ILE A 580 32.971 13.470 -5.724 1.00 11.94 C ATOM 1800 O ILE A 580 32.569 12.867 -4.727 1.00 11.22 O ATOM 1801 CB ILE A 580 31.546 13.944 -7.726 1.00 12.33 C ATOM 1802 CG1 ILE A 580 30.414 14.831 -8.254 1.00 12.71 C ATOM 1803 CG2 ILE A 580 31.049 12.499 -7.547 1.00 12.35 C ATOM 1804 CD1 ILE A 580 29.098 14.738 -7.458 1.00 12.62 C ATOM 1805 H ILE A 580 33.039 16.048 -7.615 1.00 0.00 H ATOM 1806 N TRP A 581 34.161 13.255 -6.279 1.00 13.38 N ATOM 1807 CA TRP A 581 35.110 12.283 -5.747 1.00 11.43 C ATOM 1808 C TRP A 581 35.424 12.596 -4.293 1.00 10.99 C ATOM 1809 O TRP A 581 35.445 11.708 -3.436 1.00 20.29 O ATOM 1810 CB TRP A 581 36.402 12.324 -6.564 1.00 19.15 C ATOM 1811 CG TRP A 581 37.484 11.395 -6.063 1.00 11.62 C ATOM 1812 CD1 TRP A 581 38.222 11.525 -4.921 1.00 11.33 C ATOM 1813 CD2 TRP A 581 37.950 10.202 -6.700 1.00 12.33 C ATOM 1814 NE1 TRP A 581 39.109 10.485 -4.805 1.00 11.44 N ATOM 1815 CE2 TRP A 581 38.963 9.657 -5.887 1.00 20.12 C ATOM 1816 CE3 TRP A 581 37.609 9.538 -7.880 1.00 12.35 C ATOM 1817 CZ2 TRP A 581 39.634 8.483 -6.214 1.00 17.73 C ATOM 1818 CZ3 TRP A 581 38.273 8.376 -8.200 1.00 15.08 C ATOM 1819 CH2 TRP A 581 39.272 7.860 -7.373 1.00 12.48 C ATOM 1820 HE1 TRP A 581 39.782 10.348 -4.024 1.00 0.00 H ATOM 1821 H TRP A 581 34.425 13.801 -7.124 1.00 0.00 H ATOM 1822 N ALA A 582 35.679 13.873 -4.035 1.00 13.16 N ATOM 1823 CA ALA A 582 36.035 14.353 -2.708 1.00 12.73 C ATOM 1824 C ALA A 582 34.905 14.095 -1.721 1.00 13.25 C ATOM 1825 O ALA A 582 35.139 13.734 -0.566 1.00 12.55 O ATOM 1826 CB ALA A 582 36.343 15.837 -2.774 1.00 14.23 C ATOM 1827 H ALA A 582 35.622 14.559 -4.814 1.00 0.00 H ATOM 1828 N PHE A 583 33.677 14.295 -2.186 1.00 15.02 N ATOM 1829 CA PHE A 583 32.497 14.096 -1.357 1.00 15.63 C ATOM 1830 C PHE A 583 32.378 12.645 -0.897 1.00 10.29 C ATOM 1831 O PHE A 583 31.952 12.377 0.226 1.00 10.13 O ATOM 1832 CB PHE A 583 31.242 14.504 -2.127 1.00 10.63 C ATOM 1833 CG PHE A 583 29.959 14.169 -1.417 1.00 15.97 C ATOM 1834 CD1 PHE A 583 29.503 14.951 -0.371 1.00 11.73 C ATOM 1835 CD2 PHE A 583 29.208 13.073 -1.799 1.00 16.23 C ATOM 1836 CE1 PHE A 583 28.327 14.640 0.280 1.00 13.83 C ATOM 1837 CE2 PHE A 583 28.033 12.762 -1.150 1.00 13.53 C ATOM 1838 CZ PHE A 583 27.591 13.547 -0.112 1.00 10.93 C ATOM 1839 H PHE A 583 33.555 14.603 -3.172 1.00 0.00 H ATOM 1840 N GLY A 584 32.748 11.711 -1.767 1.00 10.50 N ATOM 1841 CA GLY A 584 32.746 10.305 -1.410 1.00 10.55 C ATOM 1842 C GLY A 584 33.725 10.022 -0.291 1.00 15.15 C ATOM 1843 O GLY A 584 33.417 9.281 0.645 1.00 10.86 O ATOM 1844 H GLY A 584 33.045 11.994 -2.723 1.00 0.00 H ATOM 1845 N VAL A 585 34.911 10.616 -0.384 1.00 10.23 N ATOM 1846 CA VAL A 585 35.918 10.480 0.661 1.00 10.09 C ATOM 1847 C VAL A 585 35.391 11.093 1.953 1.00 9.86 C ATOM 1848 O VAL A 585 35.632 10.571 3.040 1.00 15.42 O ATOM 1849 CB VAL A 585 37.247 11.162 0.261 1.00 15.97 C ATOM 1850 CG1 VAL A 585 38.312 10.976 1.346 1.00 10.37 C ATOM 1851 CG2 VAL A 585 37.749 10.599 -1.060 1.00 13.22 C ATOM 1852 H VAL A 585 35.125 11.192 -1.223 1.00 0.00 H ATOM 1853 N LEU A 586 34.663 12.199 1.828 1.00 11.85 N ATOM 1854 CA LEU A 586 34.033 12.844 2.978 1.00 15.53 C ATOM 1855 C LEU A 586 32.999 11.929 3.635 1.00 9.67 C ATOM 1856 O LEU A 586 32.932 11.846 4.863 1.00 15.24 O ATOM 1857 CB LEU A 586 33.381 14.168 2.553 1.00 15.50 C ATOM 1858 CG LEU A 586 32.667 15.030 3.602 1.00 15.81 C ATOM 1859 CD1 LEU A 586 32.701 16.491 3.172 1.00 17.84 C ATOM 1860 CD2 LEU A 586 31.219 14.583 3.810 1.00 23.12 C ATOM 1861 H LEU A 586 34.538 12.617 0.884 1.00 0.00 H ATOM 1862 N MET A 587 32.185 11.255 2.823 1.00 9.86 N ATOM 1863 CA MET A 587 31.217 10.291 3.342 1.00 10.02 C ATOM 1864 C MET A 587 31.950 9.224 4.133 1.00 10.05 C ATOM 1865 O MET A 587 31.465 8.742 5.158 1.00 10.24 O ATOM 1866 CB MET A 587 30.449 9.622 2.200 1.00 14.69 C ATOM 1867 CG MET A 587 29.474 10.531 1.479 1.00 19.53 C ATOM 1868 SD MET A 587 28.450 9.662 0.274 1.00 16.21 S ATOM 1869 CE MET A 587 27.422 8.658 1.339 1.00 19.30 C ATOM 1870 H MET A 587 32.240 11.419 1.797 1.00 0.00 H ATOM 1871 N TRP A 588 33.126 8.859 3.639 1.00 12.78 N ATOM 1872 CA TRP A 588 33.947 7.850 4.282 1.00 16.60 C ATOM 1873 C TRP A 588 34.512 8.363 5.608 1.00 18.93 C ATOM 1874 O TRP A 588 34.583 7.615 6.584 1.00 16.49 O ATOM 1875 CB TRP A 588 35.077 7.425 3.345 1.00 14.57 C ATOM 1876 CG TRP A 588 35.892 6.297 3.879 1.00 15.56 C ATOM 1877 CD1 TRP A 588 35.701 4.965 3.661 1.00 10.82 C ATOM 1878 CD2 TRP A 588 37.032 6.403 4.732 1.00 14.55 C ATOM 1879 NE1 TRP A 588 36.655 4.234 4.324 1.00 11.77 N ATOM 1880 CE2 TRP A 588 37.485 5.097 4.992 1.00 10.82 C ATOM 1881 CE3 TRP A 588 37.715 7.478 5.304 1.00 10.29 C ATOM 1882 CZ2 TRP A 588 38.586 4.836 5.796 1.00 14.64 C ATOM 1883 CZ3 TRP A 588 38.805 7.217 6.097 1.00 10.46 C ATOM 1884 CH2 TRP A 588 39.230 5.910 6.338 1.00 11.48 C ATOM 1885 HE1 TRP A 588 36.735 3.197 4.320 1.00 0.00 H ATOM 1886 H TRP A 588 33.469 9.309 2.766 1.00 0.00 H ATOM 1887 N GLU A 589 34.917 9.630 5.642 1.00 17.53 N ATOM 1888 CA GLU A 589 35.359 10.260 6.885 1.00 9.73 C ATOM 1889 C GLU A 589 34.248 10.210 7.928 1.00 9.76 C ATOM 1890 O GLU A 589 34.495 9.953 9.109 1.00 12.22 O ATOM 1891 CB GLU A 589 35.753 11.719 6.638 1.00 9.86 C ATOM 1892 CG GLU A 589 36.984 11.908 5.775 1.00 9.65 C ATOM 1893 CD GLU A 589 37.378 13.366 5.636 1.00 14.88 C ATOM 1894 OE1 GLU A 589 38.275 13.813 6.379 1.00 18.19 O ATOM 1895 OE2 GLU A 589 36.790 14.064 4.785 1.00 15.55 O ATOM 1896 H GLU A 589 34.919 10.186 4.763 1.00 0.00 H ATOM 1897 N ILE A 590 33.024 10.471 7.483 1.00 9.74 N ATOM 1898 CA ILE A 590 31.866 10.506 8.370 1.00 9.84 C ATOM 1899 C ILE A 590 31.571 9.128 8.956 1.00 15.48 C ATOM 1900 O ILE A 590 31.453 8.974 10.174 1.00 11.07 O ATOM 1901 CB ILE A 590 30.624 11.043 7.618 1.00 12.60 C ATOM 1902 CG1 ILE A 590 30.747 12.557 7.447 1.00 11.64 C ATOM 1903 CG2 ILE A 590 29.321 10.713 8.363 1.00 10.12 C ATOM 1904 CD1 ILE A 590 29.774 13.150 6.437 1.00 9.75 C ATOM 1905 H ILE A 590 32.887 10.657 6.469 1.00 0.00 H ATOM 1906 N TYR A 591 31.450 8.129 8.088 1.00 13.24 N ATOM 1907 CA TYR A 591 31.067 6.787 8.517 1.00 17.37 C ATOM 1908 C TYR A 591 32.189 6.032 9.223 1.00 10.81 C ATOM 1909 O TYR A 591 31.934 5.050 9.922 1.00 15.34 O ATOM 1910 CB TYR A 591 30.544 5.989 7.322 1.00 14.67 C ATOM 1911 CG TYR A 591 29.084 6.283 7.029 1.00 14.82 C ATOM 1912 CD1 TYR A 591 28.071 5.586 7.673 1.00 11.49 C ATOM 1913 CD2 TYR A 591 28.718 7.276 6.136 1.00 19.55 C ATOM 1914 CE1 TYR A 591 26.739 5.859 7.424 1.00 11.73 C ATOM 1915 CE2 TYR A 591 27.383 7.553 5.880 1.00 12.58 C ATOM 1916 CZ TYR A 591 26.397 6.841 6.528 1.00 11.53 C ATOM 1917 OH TYR A 591 25.065 7.107 6.284 1.00 21.78 O ATOM 1918 HH TYR A 591 24.503 6.504 6.833 1.00 0.00 H ATOM 1919 H TYR A 591 31.632 8.307 7.080 1.00 0.00 H ATOM 1920 N SER A 592 33.422 6.497 9.048 1.00 12.53 N ATOM 1921 CA SER A 592 34.559 5.939 9.769 1.00 13.02 C ATOM 1922 C SER A 592 34.763 6.700 11.078 1.00 15.91 C ATOM 1923 O SER A 592 35.650 6.371 11.868 1.00 18.69 O ATOM 1924 CB SER A 592 35.824 6.018 8.917 1.00 13.37 C ATOM 1925 OG SER A 592 36.364 7.324 8.939 1.00 19.03 O ATOM 1926 HG SER A 592 35.697 7.962 8.580 1.00 0.00 H ATOM 1927 H SER A 592 33.579 7.278 8.380 1.00 0.00 H ATOM 1928 N LEU A 593 33.934 7.717 11.296 1.00 12.46 N ATOM 1929 CA LEU A 593 33.997 8.540 12.502 1.00 14.61 C ATOM 1930 C LEU A 593 35.343 9.251 12.669 1.00 12.44 C ATOM 1931 O LEU A 593 35.909 9.282 13.764 1.00 16.99 O ATOM 1932 CB LEU A 593 33.677 7.702 13.741 1.00 8.93 C ATOM 1933 CG LEU A 593 32.404 6.853 13.644 1.00 9.16 C ATOM 1934 CD1 LEU A 593 32.249 5.938 14.852 1.00 12.95 C ATOM 1935 CD2 LEU A 593 31.179 7.755 13.496 1.00 10.55 C ATOM 1936 H LEU A 593 33.212 7.935 10.580 1.00 0.00 H ATOM 1937 N GLY A 594 35.853 9.810 11.575 1.00 18.47 N ATOM 1938 CA GLY A 594 36.959 10.751 11.638 1.00 20.79 C ATOM 1939 C GLY A 594 38.332 10.167 11.369 1.00 16.67 C ATOM 1940 O GLY A 594 39.341 10.781 11.716 1.00 18.08 O ATOM 1941 H GLY A 594 35.449 9.567 10.648 1.00 0.00 H ATOM 1942 N LYS A 595 38.383 8.992 10.748 1.00 15.90 N ATOM 1943 CA LYS A 595 39.666 8.383 10.409 1.00 18.51 C ATOM 1944 C LYS A 595 40.313 9.073 9.217 1.00 15.01 C ATOM 1945 O LYS A 595 39.633 9.710 8.411 1.00 16.73 O ATOM 1946 CB LYS A 595 39.505 6.893 10.112 1.00 13.18 C ATOM 1947 CG LYS A 595 39.171 6.085 11.334 1.00 13.11 C ATOM 1948 CD LYS A 595 39.369 4.602 11.097 1.00 27.24 C ATOM 1949 CE LYS A 595 39.031 3.803 12.339 1.00 38.58 C ATOM 1950 NZ LYS A 595 39.123 2.339 12.104 1.00 47.65 N ATOM 1951 HZ1 LYS A 595 38.458 2.067 11.352 1.00 0.00 H ATOM 1952 HZ2 LYS A 595 40.092 2.096 11.815 1.00 0.00 H ATOM 1953 HZ3 LYS A 595 38.884 1.833 12.980 1.00 0.00 H ATOM 1954 H LYS A 595 37.500 8.502 10.501 1.00 0.00 H ATOM 1955 N MET A 596 41.630 8.936 9.104 1.00 11.50 N ATOM 1956 CA MET A 596 42.353 9.511 7.980 1.00 18.95 C ATOM 1957 C MET A 596 42.321 8.550 6.791 1.00 20.25 C ATOM 1958 O MET A 596 42.627 7.370 6.949 1.00 20.16 O ATOM 1959 CB MET A 596 43.804 9.789 8.357 1.00 21.15 C ATOM 1960 CG MET A 596 44.591 10.415 7.231 1.00 21.18 C ATOM 1961 SD MET A 596 46.152 11.097 7.805 1.00 43.45 S ATOM 1962 CE MET A 596 46.984 9.608 8.322 1.00 22.28 C ATOM 1963 H MET A 596 42.153 8.408 9.832 1.00 0.00 H ATOM 1964 N PRO A 597 41.959 9.045 5.595 1.00 17.01 N ATOM 1965 CA PRO A 597 41.946 8.152 4.426 1.00 23.15 C ATOM 1966 C PRO A 597 43.333 7.615 4.061 1.00 22.11 C ATOM 1967 O PRO A 597 44.306 8.373 4.082 1.00 13.63 O ATOM 1968 CB PRO A 597 41.410 9.046 3.298 1.00 21.97 C ATOM 1969 CG PRO A 597 40.729 10.195 3.980 1.00 20.97 C ATOM 1970 CD PRO A 597 41.451 10.391 5.275 1.00 17.00 C ATOM 1971 N TYR A 598 43.409 6.329 3.720 1.00 14.61 N ATOM 1972 CA TYR A 598 44.664 5.697 3.326 1.00 11.73 C ATOM 1973 C TYR A 598 45.713 5.909 4.411 1.00 15.76 C ATOM 1974 O TYR A 598 46.834 6.333 4.138 1.00 22.31 O ATOM 1975 CB TYR A 598 45.152 6.261 1.984 1.00 17.86 C ATOM 1976 CG TYR A 598 44.031 6.497 0.987 1.00 20.11 C ATOM 1977 CD1 TYR A 598 43.609 5.489 0.131 1.00 21.15 C ATOM 1978 CD2 TYR A 598 43.384 7.720 0.914 1.00 20.02 C ATOM 1979 CE1 TYR A 598 42.581 5.697 -0.772 1.00 11.57 C ATOM 1980 CE2 TYR A 598 42.352 7.935 0.013 1.00 20.40 C ATOM 1981 CZ TYR A 598 41.954 6.919 -0.828 1.00 15.75 C ATOM 1982 OH TYR A 598 40.927 7.132 -1.727 1.00 20.24 O ATOM 1983 HH TYR A 598 41.174 7.869 -2.340 1.00 0.00 H ATOM 1984 H TYR A 598 42.542 5.755 3.735 1.00 0.00 H ATOM 1985 N GLU A 599 45.336 5.631 5.653 1.00 17.31 N ATOM 1986 CA GLU A 599 46.264 5.771 6.766 1.00 12.81 C ATOM 1987 C GLU A 599 47.465 4.836 6.587 1.00 16.66 C ATOM 1988 O GLU A 599 47.315 3.712 6.109 1.00 14.11 O ATOM 1989 CB GLU A 599 45.556 5.483 8.086 1.00 22.60 C ATOM 1990 CG GLU A 599 46.360 5.882 9.304 1.00 33.40 C ATOM 1991 CD GLU A 599 45.607 5.653 10.599 1.00 47.94 C ATOM 1992 OE1 GLU A 599 44.368 5.503 10.552 1.00 51.79 O ATOM 1993 OE2 GLU A 599 46.258 5.613 11.664 1.00 56.14 O ATOM 1994 H GLU A 599 44.364 5.309 5.834 1.00 0.00 H ATOM 1995 N ARG A 600 48.647 5.321 6.962 1.00 17.32 N ATOM 1996 CA ARG A 600 49.920 4.614 6.769 1.00 26.01 C ATOM 1997 C ARG A 600 50.364 4.584 5.295 1.00 24.45 C ATOM 1998 O ARG A 600 51.460 4.112 4.996 1.00 21.07 O ATOM 1999 CB ARG A 600 49.898 3.195 7.369 1.00 38.20 C ATOM 2000 CG ARG A 600 49.385 3.109 8.811 1.00 46.41 C ATOM 2001 CD ARG A 600 50.291 3.828 9.814 1.00 54.85 C ATOM 2002 NE ARG A 600 49.613 4.051 11.093 1.00 67.00 N ATOM 2003 CZ ARG A 600 49.732 3.278 12.171 1.00 75.25 C ATOM 2004 NH1 ARG A 600 49.059 3.585 13.273 1.00 79.77 N ATOM 2005 NH2 ARG A 600 50.516 2.207 12.162 1.00 72.62 N ATOM 2006 HE ARG A 600 48.989 4.879 11.165 1.00 0.00 H ATOM 2007 HH12 ARG A 600 49.146 2.987 14.119 1.00 0.00 H ATOM 2008 HH11 ARG A 600 48.444 4.424 13.290 1.00 0.00 H ATOM 2009 HH22 ARG A 600 50.597 1.615 13.013 1.00 0.00 H ATOM 2010 HH21 ARG A 600 51.049 1.960 11.304 1.00 0.00 H ATOM 2011 H ARG A 600 48.670 6.255 7.418 1.00 0.00 H ATOM 2012 N PHE A 601 49.525 5.086 4.384 1.00 24.92 N ATOM 2013 CA PHE A 601 49.971 5.376 3.019 1.00 13.52 C ATOM 2014 C PHE A 601 50.488 6.800 2.955 1.00 21.49 C ATOM 2015 O PHE A 601 49.909 7.711 3.549 1.00 27.34 O ATOM 2016 CB PHE A 601 48.842 5.275 1.988 1.00 11.97 C ATOM 2017 CG PHE A 601 48.352 3.883 1.732 1.00 18.70 C ATOM 2018 CD1 PHE A 601 47.575 3.222 2.661 1.00 18.40 C ATOM 2019 CD2 PHE A 601 48.641 3.249 0.537 1.00 21.25 C ATOM 2020 CE1 PHE A 601 47.115 1.947 2.413 1.00 18.71 C ATOM 2021 CE2 PHE A 601 48.183 1.975 0.286 1.00 27.46 C ATOM 2022 CZ PHE A 601 47.419 1.322 1.224 1.00 25.05 C ATOM 2023 H PHE A 601 48.537 5.274 4.649 1.00 0.00 H ATOM 2024 N THR A 602 51.569 6.994 2.215 1.00 20.94 N ATOM 2025 CA THR A 602 51.996 8.331 1.848 1.00 23.10 C ATOM 2026 C THR A 602 51.057 8.869 0.774 1.00 26.09 C ATOM 2027 O THR A 602 50.230 8.132 0.232 1.00 28.51 O ATOM 2028 CB THR A 602 53.419 8.324 1.296 1.00 22.20 C ATOM 2029 OG1 THR A 602 53.452 7.553 0.089 1.00 29.88 O ATOM 2030 CG2 THR A 602 54.380 7.726 2.313 1.00 25.00 C ATOM 2031 HG1 THR A 602 53.166 6.625 0.283 1.00 0.00 H ATOM 2032 H THR A 602 52.121 6.174 1.892 1.00 0.00 H ATOM 2033 N ASN A 603 51.190 10.154 0.470 1.00 26.71 N ATOM 2034 CA ASN A 603 50.412 10.778 -0.591 1.00 28.36 C ATOM 2035 C ASN A 603 50.717 10.152 -1.945 1.00 18.12 C ATOM 2036 O ASN A 603 49.815 9.907 -2.748 1.00 19.42 O ATOM 2037 CB ASN A 603 50.714 12.276 -0.640 1.00 26.76 C ATOM 2038 CG ASN A 603 50.016 13.055 0.464 1.00 29.19 C ATOM 2039 OD1 ASN A 603 49.145 12.531 1.158 1.00 37.14 O ATOM 2040 ND2 ASN A 603 50.389 14.318 0.623 1.00 33.14 N ATOM 2041 HD22 ASN A 603 51.130 14.722 0.015 1.00 0.00 H ATOM 2042 HD21 ASN A 603 49.941 14.904 1.356 1.00 0.00 H ATOM 2043 H ASN A 603 51.869 10.732 1.005 1.00 0.00 H ATOM 2044 N SER A 604 51.995 9.893 -2.190 1.00 14.15 N ATOM 2045 CA SER A 604 52.426 9.318 -3.456 1.00 18.86 C ATOM 2046 C SER A 604 51.915 7.890 -3.591 1.00 20.83 C ATOM 2047 O SER A 604 51.426 7.492 -4.650 1.00 28.18 O ATOM 2048 CB SER A 604 53.950 9.345 -3.553 1.00 26.54 C ATOM 2049 OG SER A 604 54.536 8.690 -2.445 1.00 34.58 O ATOM 2050 HG SER A 604 54.261 9.146 -1.610 1.00 0.00 H ATOM 2051 H SER A 604 52.705 10.106 -1.461 1.00 0.00 H ATOM 2052 N GLU A 605 52.033 7.122 -2.512 1.00 19.79 N ATOM 2053 CA GLU A 605 51.511 5.761 -2.472 1.00 13.17 C ATOM 2054 C GLU A 605 50.002 5.753 -2.691 1.00 14.51 C ATOM 2055 O GLU A 605 49.460 4.853 -3.336 1.00 18.51 O ATOM 2056 CB GLU A 605 51.854 5.112 -1.131 1.00 18.36 C ATOM 2057 CG GLU A 605 53.301 4.671 -1.036 1.00 25.64 C ATOM 2058 CD GLU A 605 53.709 4.265 0.366 1.00 23.96 C ATOM 2059 OE1 GLU A 605 54.781 3.640 0.510 1.00 30.62 O ATOM 2060 OE2 GLU A 605 52.969 4.573 1.323 1.00 25.70 O ATOM 2061 H GLU A 605 52.512 7.503 -1.671 1.00 0.00 H ATOM 2062 N THR A 606 49.331 6.765 -2.151 1.00 12.36 N ATOM 2063 CA THR A 606 47.888 6.898 -2.299 1.00 13.73 C ATOM 2064 C THR A 606 47.533 7.198 -3.755 1.00 19.22 C ATOM 2065 O THR A 606 46.594 6.619 -4.306 1.00 25.28 O ATOM 2066 CB THR A 606 47.341 8.009 -1.371 1.00 16.91 C ATOM 2067 OG1 THR A 606 47.377 7.554 -0.013 1.00 17.76 O ATOM 2068 CG2 THR A 606 45.898 8.401 -1.737 1.00 11.89 C ATOM 2069 HG1 THR A 606 48.311 7.342 0.238 1.00 0.00 H ATOM 2070 H THR A 606 49.851 7.483 -1.607 1.00 0.00 H ATOM 2071 N ALA A 607 48.290 8.104 -4.371 1.00 15.09 N ATOM 2072 CA ALA A 607 48.101 8.451 -5.780 1.00 17.43 C ATOM 2073 C ALA A 607 48.319 7.233 -6.667 1.00 16.19 C ATOM 2074 O ALA A 607 47.583 7.005 -7.629 1.00 20.85 O ATOM 2075 CB ALA A 607 49.069 9.559 -6.183 1.00 17.12 C ATOM 2076 H ALA A 607 49.041 8.581 -3.832 1.00 0.00 H ATOM 2077 N GLU A 608 49.352 6.466 -6.337 1.00 22.51 N ATOM 2078 CA GLU A 608 49.712 5.265 -7.078 1.00 26.24 C ATOM 2079 C GLU A 608 48.587 4.242 -7.037 1.00 29.82 C ATOM 2080 O GLU A 608 48.243 3.638 -8.053 1.00 34.31 O ATOM 2081 CB GLU A 608 50.972 4.658 -6.459 1.00 32.26 C ATOM 2082 CG GLU A 608 51.654 3.573 -7.284 1.00 50.27 C ATOM 2083 CD GLU A 608 53.019 3.199 -6.727 1.00 60.89 C ATOM 2084 OE1 GLU A 608 53.566 2.152 -7.131 1.00 70.00 O ATOM 2085 OE2 GLU A 608 53.549 3.956 -5.886 1.00 54.29 O ATOM 2086 H GLU A 608 49.928 6.735 -5.514 1.00 0.00 H ATOM 2087 N HIS A 609 48.017 4.049 -5.854 1.00 28.86 N ATOM 2088 CA HIS A 609 47.060 2.971 -5.649 1.00 35.02 C ATOM 2089 C HIS A 609 45.656 3.269 -6.169 1.00 21.11 C ATOM 2090 O HIS A 609 44.976 2.365 -6.659 1.00 29.29 O ATOM 2091 CB HIS A 609 47.026 2.577 -4.175 1.00 44.96 C ATOM 2092 CG HIS A 609 48.180 1.716 -3.771 1.00 49.69 C ATOM 2093 ND1 HIS A 609 49.443 2.221 -3.552 1.00 50.17 N ATOM 2094 CD2 HIS A 609 48.270 0.379 -3.578 1.00 51.83 C ATOM 2095 CE1 HIS A 609 50.260 1.234 -3.229 1.00 53.97 C ATOM 2096 NE2 HIS A 609 49.573 0.106 -3.239 1.00 59.42 N ATOM 2097 H HIS A 609 48.258 4.678 -5.061 1.00 0.00 H ATOM 2098 N ILE A 610 45.218 4.519 -6.073 1.00 16.64 N ATOM 2099 CA ILE A 610 43.912 4.881 -6.615 1.00 29.78 C ATOM 2100 C ILE A 610 43.955 4.915 -8.143 1.00 23.02 C ATOM 2101 O ILE A 610 42.953 4.639 -8.806 1.00 26.03 O ATOM 2102 CB ILE A 610 43.395 6.226 -6.058 1.00 31.57 C ATOM 2103 CG1 ILE A 610 44.340 7.376 -6.406 1.00 34.26 C ATOM 2104 CG2 ILE A 610 43.207 6.140 -4.547 1.00 25.59 C ATOM 2105 CD1 ILE A 610 43.645 8.497 -7.156 1.00 34.72 C ATOM 2106 H ILE A 610 45.807 5.241 -5.611 1.00 0.00 H ATOM 2107 N ALA A 611 45.120 5.242 -8.698 1.00 19.40 N ATOM 2108 CA ALA A 611 45.324 5.181 -10.142 1.00 23.94 C ATOM 2109 C ALA A 611 45.194 3.736 -10.611 1.00 30.54 C ATOM 2110 O ALA A 611 44.669 3.467 -11.692 1.00 36.40 O ATOM 2111 CB ALA A 611 46.697 5.744 -10.521 1.00 21.90 C ATOM 2112 H ALA A 611 45.904 5.549 -8.088 1.00 0.00 H ATOM 2113 N GLN A 612 45.672 2.812 -9.782 1.00 24.00 N ATOM 2114 CA GLN A 612 45.621 1.386 -10.089 1.00 25.27 C ATOM 2115 C GLN A 612 44.287 0.756 -9.683 1.00 31.14 C ATOM 2116 O GLN A 612 44.112 -0.458 -9.791 1.00 30.48 O ATOM 2117 CB GLN A 612 46.781 0.659 -9.404 1.00 28.32 C ATOM 2118 CG GLN A 612 48.153 1.056 -9.940 1.00 33.39 C ATOM 2119 CD GLN A 612 48.389 0.577 -11.363 1.00 43.42 C ATOM 2120 OE1 GLN A 612 48.012 -0.537 -11.725 1.00 50.65 O ATOM 2121 NE2 GLN A 612 49.014 1.420 -12.178 1.00 43.68 N ATOM 2122 HE22 GLN A 612 49.316 2.353 -11.830 1.00 0.00 H ATOM 2123 HE21 GLN A 612 49.202 1.147 -13.164 1.00 0.00 H ATOM 2124 H GLN A 612 46.097 3.117 -8.883 1.00 0.00 H ATOM 2125 N GLY A 613 43.358 1.582 -9.208 1.00 28.88 N ATOM 2126 CA GLY A 613 41.994 1.141 -8.976 1.00 29.35 C ATOM 2127 C GLY A 613 41.634 0.865 -7.526 1.00 26.40 C ATOM 2128 O GLY A 613 40.493 0.498 -7.241 1.00 38.22 O ATOM 2129 H GLY A 613 43.615 2.568 -8.998 1.00 0.00 H ATOM 2130 N LEU A 614 42.581 1.040 -6.606 1.00 16.60 N ATOM 2131 CA LEU A 614 42.297 0.798 -5.190 1.00 19.98 C ATOM 2132 C LEU A 614 41.381 1.888 -4.645 1.00 20.92 C ATOM 2133 O LEU A 614 41.533 3.065 -4.974 1.00 16.79 O ATOM 2134 CB LEU A 614 43.580 0.729 -4.348 1.00 25.84 C ATOM 2135 CG LEU A 614 43.404 0.701 -2.820 1.00 30.03 C ATOM 2136 CD1 LEU A 614 43.272 -0.724 -2.313 1.00 32.56 C ATOM 2137 CD2 LEU A 614 44.549 1.409 -2.124 1.00 18.15 C ATOM 2138 H LEU A 614 43.530 1.351 -6.896 1.00 0.00 H ATOM 2139 N ARG A 615 40.449 1.485 -3.788 1.00 21.11 N ATOM 2140 CA ARG A 615 39.474 2.400 -3.213 1.00 20.64 C ATOM 2141 C ARG A 615 39.346 2.162 -1.717 1.00 27.28 C ATOM 2142 O ARG A 615 39.717 1.104 -1.209 1.00 27.29 O ATOM 2143 CB ARG A 615 38.117 2.213 -3.892 1.00 23.05 C ATOM 2144 CG ARG A 615 38.164 2.427 -5.388 1.00 24.98 C ATOM 2145 CD ARG A 615 38.434 3.885 -5.714 1.00 23.54 C ATOM 2146 NE ARG A 615 38.311 4.166 -7.144 1.00 20.79 N ATOM 2147 CZ ARG A 615 39.333 4.308 -7.984 1.00 20.06 C ATOM 2148 NH1 ARG A 615 40.588 4.200 -7.565 1.00 22.25 N ATOM 2149 NH2 ARG A 615 39.092 4.563 -9.259 1.00 20.82 N ATOM 2150 HE ARG A 615 37.352 4.262 -7.534 1.00 0.00 H ATOM 2151 HH12 ARG A 615 41.373 4.314 -8.238 1.00 0.00 H ATOM 2152 HH11 ARG A 615 40.787 4.001 -6.564 1.00 0.00 H ATOM 2153 HH22 ARG A 615 39.883 4.676 -9.925 1.00 0.00 H ATOM 2154 HH21 ARG A 615 38.112 4.650 -9.596 1.00 0.00 H ATOM 2155 H ARG A 615 40.415 0.481 -3.519 1.00 0.00 H ATOM 2156 N LEU A 616 38.812 3.158 -1.020 1.00 24.49 N ATOM 2157 CA LEU A 616 38.646 3.088 0.423 1.00 22.19 C ATOM 2158 C LEU A 616 37.665 1.987 0.812 1.00 22.39 C ATOM 2159 O LEU A 616 36.589 1.862 0.223 1.00 19.73 O ATOM 2160 CB LEU A 616 38.156 4.433 0.946 1.00 15.18 C ATOM 2161 CG LEU A 616 39.208 5.539 0.887 1.00 15.96 C ATOM 2162 CD1 LEU A 616 38.534 6.898 0.869 1.00 17.01 C ATOM 2163 CD2 LEU A 616 40.163 5.420 2.069 1.00 17.60 C ATOM 2164 H LEU A 616 38.503 4.015 -1.522 1.00 0.00 H ATOM 2165 N TYR A 617 38.048 1.190 1.806 1.00 20.09 N ATOM 2166 CA TYR A 617 37.221 0.088 2.279 1.00 19.76 C ATOM 2167 C TYR A 617 35.923 0.605 2.880 1.00 14.68 C ATOM 2168 O TYR A 617 35.824 1.778 3.242 1.00 17.22 O ATOM 2169 CB TYR A 617 37.976 -0.732 3.328 1.00 14.90 C ATOM 2170 CG TYR A 617 38.344 0.038 4.595 1.00 18.33 C ATOM 2171 CD1 TYR A 617 37.444 0.168 5.652 1.00 16.70 C ATOM 2172 CD2 TYR A 617 39.594 0.624 4.740 1.00 22.92 C ATOM 2173 CE1 TYR A 617 37.781 0.866 6.807 1.00 16.73 C ATOM 2174 CE2 TYR A 617 39.935 1.323 5.893 1.00 22.94 C ATOM 2175 CZ TYR A 617 39.024 1.439 6.922 1.00 21.96 C ATOM 2176 OH TYR A 617 39.355 2.130 8.071 1.00 18.35 O ATOM 2177 HH TYR A 617 38.589 2.112 8.698 1.00 0.00 H ATOM 2178 H TYR A 617 38.968 1.359 2.260 1.00 0.00 H ATOM 2179 N ARG A 618 34.933 -0.274 2.999 1.00 19.96 N ATOM 2180 CA ARG A 618 33.660 0.103 3.598 1.00 14.73 C ATOM 2181 C ARG A 618 33.789 0.171 5.120 1.00 19.05 C ATOM 2182 O ARG A 618 34.115 -0.830 5.756 1.00 22.48 O ATOM 2183 CB ARG A 618 32.571 -0.905 3.231 1.00 16.51 C ATOM 2184 CG ARG A 618 31.218 -0.585 3.848 1.00 11.05 C ATOM 2185 CD ARG A 618 30.219 -1.683 3.568 1.00 13.80 C ATOM 2186 NE ARG A 618 30.697 -2.964 4.078 1.00 28.30 N ATOM 2187 CZ ARG A 618 30.666 -3.318 5.359 1.00 33.65 C ATOM 2188 NH1 ARG A 618 30.166 -2.494 6.271 1.00 19.75 N ATOM 2189 NH2 ARG A 618 31.135 -4.500 5.730 1.00 31.48 N ATOM 2190 HE ARG A 618 31.087 -3.644 3.395 1.00 0.00 H ATOM 2191 HH12 ARG A 618 30.145 -2.777 7.272 1.00 0.00 H ATOM 2192 HH11 ARG A 618 29.795 -1.565 5.985 1.00 0.00 H ATOM 2193 HH22 ARG A 618 31.111 -4.778 6.732 1.00 0.00 H ATOM 2194 HH21 ARG A 618 31.527 -5.150 5.019 1.00 0.00 H ATOM 2195 H ARG A 618 35.070 -1.247 2.659 1.00 0.00 H ATOM 2196 N PRO A 619 33.531 1.348 5.714 1.00 14.04 N ATOM 2197 CA PRO A 619 33.533 1.456 7.177 1.00 12.11 C ATOM 2198 C PRO A 619 32.427 0.614 7.808 1.00 13.86 C ATOM 2199 O PRO A 619 31.360 0.451 7.214 1.00 18.94 O ATOM 2200 CB PRO A 619 33.278 2.948 7.426 1.00 16.91 C ATOM 2201 CG PRO A 619 33.633 3.628 6.135 1.00 16.20 C ATOM 2202 CD PRO A 619 33.285 2.648 5.068 1.00 18.40 C ATOM 2203 N HIS A 620 32.696 0.092 9.000 1.00 16.01 N ATOM 2204 CA HIS A 620 31.784 -0.803 9.708 1.00 18.32 C ATOM 2205 C HIS A 620 30.341 -0.316 9.792 1.00 19.98 C ATOM 2206 O HIS A 620 29.406 -1.119 9.738 1.00 19.28 O ATOM 2207 CB HIS A 620 32.313 -1.028 11.121 1.00 24.86 C ATOM 2208 CG HIS A 620 33.355 -2.098 11.207 1.00 32.04 C ATOM 2209 ND1 HIS A 620 34.670 -1.885 10.864 1.00 41.48 N ATOM 2210 CD2 HIS A 620 33.267 -3.393 11.592 1.00 39.49 C ATOM 2211 CE1 HIS A 620 35.354 -3.004 11.039 1.00 35.59 C ATOM 2212 NE2 HIS A 620 34.526 -3.932 11.478 1.00 38.66 N ATOM 2213 H HIS A 620 33.601 0.333 9.452 1.00 0.00 H ATOM 2214 N LEU A 621 30.162 0.993 9.926 1.00 18.57 N ATOM 2215 CA LEU A 621 28.842 1.563 10.173 1.00 16.87 C ATOM 2216 C LEU A 621 28.114 1.908 8.881 1.00 15.75 C ATOM 2217 O LEU A 621 26.965 2.352 8.907 1.00 14.84 O ATOM 2218 CB LEU A 621 28.966 2.810 11.048 1.00 15.69 C ATOM 2219 CG LEU A 621 29.469 2.535 12.467 1.00 18.72 C ATOM 2220 CD1 LEU A 621 29.831 3.834 13.170 1.00 16.77 C ATOM 2221 CD2 LEU A 621 28.424 1.755 13.270 1.00 17.11 C ATOM 2222 H LEU A 621 30.983 1.627 9.853 1.00 0.00 H ATOM 2223 N ALA A 622 28.785 1.699 7.753 1.00 20.10 N ATOM 2224 CA ALA A 622 28.184 1.965 6.454 1.00 14.30 C ATOM 2225 C ALA A 622 27.500 0.716 5.913 1.00 16.57 C ATOM 2226 O ALA A 622 28.119 -0.337 5.775 1.00 18.73 O ATOM 2227 CB ALA A 622 29.234 2.466 5.471 1.00 9.58 C ATOM 2228 H ALA A 622 29.759 1.338 7.799 1.00 0.00 H ATOM 2229 N SER A 623 26.209 0.843 5.627 1.00 18.90 N ATOM 2230 CA SER A 623 25.464 -0.195 4.934 1.00 23.33 C ATOM 2231 C SER A 623 25.999 -0.332 3.514 1.00 21.63 C ATOM 2232 O SER A 623 26.781 0.500 3.055 1.00 22.82 O ATOM 2233 CB SER A 623 23.989 0.186 4.884 1.00 16.91 C ATOM 2234 OG SER A 623 23.823 1.362 4.117 1.00 24.79 O ATOM 2235 HG SER A 623 22.863 1.603 4.089 1.00 0.00 H ATOM 2236 H SER A 623 25.715 1.714 5.908 1.00 0.00 H ATOM 2237 N GLU A 624 25.568 -1.378 2.820 1.00 19.69 N ATOM 2238 CA GLU A 624 25.978 -1.613 1.441 1.00 24.25 C ATOM 2239 C GLU A 624 25.387 -0.561 0.513 1.00 16.66 C ATOM 2240 O GLU A 624 26.006 -0.172 -0.479 1.00 19.69 O ATOM 2241 CB GLU A 624 25.530 -3.007 1.011 1.00 37.96 C ATOM 2242 CG GLU A 624 26.225 -4.113 1.778 1.00 52.51 C ATOM 2243 CD GLU A 624 27.705 -4.177 1.482 1.00 63.34 C ATOM 2244 OE1 GLU A 624 28.451 -4.747 2.307 1.00 66.04 O ATOM 2245 OE2 GLU A 624 28.119 -3.655 0.427 1.00 64.72 O ATOM 2246 H GLU A 624 24.918 -2.051 3.274 1.00 0.00 H ATOM 2247 N LYS A 625 24.185 -0.106 0.845 1.00 17.32 N ATOM 2248 CA LYS A 625 23.515 0.932 0.074 1.00 26.20 C ATOM 2249 C LYS A 625 24.277 2.248 0.170 1.00 23.08 C ATOM 2250 O LYS A 625 24.445 2.958 -0.821 1.00 25.40 O ATOM 2251 CB LYS A 625 22.082 1.105 0.577 1.00 24.66 C ATOM 2252 CG LYS A 625 21.167 -0.010 0.117 1.00 31.10 C ATOM 2253 CD LYS A 625 19.790 0.041 0.760 1.00 47.32 C ATOM 2254 CE LYS A 625 18.947 -1.150 0.319 1.00 61.80 C ATOM 2255 NZ LYS A 625 18.996 -1.371 -1.156 1.00 64.91 N ATOM 2256 HZ1 LYS A 625 18.637 -0.526 -1.644 1.00 0.00 H ATOM 2257 HZ2 LYS A 625 19.979 -1.549 -1.446 1.00 0.00 H ATOM 2258 HZ3 LYS A 625 18.407 -2.192 -1.402 1.00 0.00 H ATOM 2259 H LYS A 625 23.708 -0.502 1.680 1.00 0.00 H ATOM 2260 N VAL A 626 24.745 2.559 1.373 1.00 19.01 N ATOM 2261 CA VAL A 626 25.490 3.786 1.623 1.00 14.94 C ATOM 2262 C VAL A 626 26.847 3.744 0.928 1.00 15.94 C ATOM 2263 O VAL A 626 27.267 4.720 0.305 1.00 14.53 O ATOM 2264 CB VAL A 626 25.674 3.999 3.144 1.00 15.50 C ATOM 2265 CG1 VAL A 626 26.800 5.000 3.455 1.00 13.36 C ATOM 2266 CG2 VAL A 626 24.359 4.458 3.760 1.00 16.75 C ATOM 2267 H VAL A 626 24.574 1.905 2.163 1.00 0.00 H ATOM 2268 N TYR A 627 27.525 2.609 1.043 1.00 14.54 N ATOM 2269 CA TYR A 627 28.839 2.430 0.436 1.00 12.12 C ATOM 2270 C TYR A 627 28.762 2.503 -1.087 1.00 11.22 C ATOM 2271 O TYR A 627 29.669 3.028 -1.733 1.00 18.28 O ATOM 2272 CB TYR A 627 29.432 1.091 0.875 1.00 10.78 C ATOM 2273 CG TYR A 627 30.843 0.828 0.381 1.00 12.37 C ATOM 2274 CD1 TYR A 627 31.902 1.641 0.764 1.00 14.48 C ATOM 2275 CD2 TYR A 627 31.119 -0.243 -0.455 1.00 20.39 C ATOM 2276 CE1 TYR A 627 33.191 1.398 0.320 1.00 14.59 C ATOM 2277 CE2 TYR A 627 32.407 -0.491 -0.903 1.00 17.30 C ATOM 2278 CZ TYR A 627 33.440 0.335 -0.512 1.00 19.03 C ATOM 2279 OH TYR A 627 34.728 0.099 -0.951 1.00 22.86 O ATOM 2280 HH TYR A 627 35.335 0.785 -0.574 1.00 0.00 H ATOM 2281 H TYR A 627 27.107 1.824 1.582 1.00 0.00 H ATOM 2282 N THR A 628 27.678 1.982 -1.654 1.00 9.91 N ATOM 2283 CA THR A 628 27.461 2.033 -3.097 1.00 13.19 C ATOM 2284 C THR A 628 27.376 3.485 -3.564 1.00 14.20 C ATOM 2285 O THR A 628 27.864 3.831 -4.642 1.00 13.46 O ATOM 2286 CB THR A 628 26.173 1.275 -3.492 1.00 20.53 C ATOM 2287 OG1 THR A 628 26.345 -0.121 -3.225 1.00 22.78 O ATOM 2288 CG2 THR A 628 25.828 1.467 -4.980 1.00 22.75 C ATOM 2289 HG1 THR A 628 26.524 -0.252 -2.260 1.00 0.00 H ATOM 2290 H THR A 628 26.964 1.525 -1.052 1.00 0.00 H ATOM 2291 N ILE A 629 26.746 4.329 -2.751 1.00 14.46 N ATOM 2292 CA ILE A 629 26.660 5.760 -3.040 1.00 18.67 C ATOM 2293 C ILE A 629 28.044 6.415 -3.075 1.00 12.95 C ATOM 2294 O ILE A 629 28.385 7.094 -4.046 1.00 20.61 O ATOM 2295 CB ILE A 629 25.752 6.494 -2.018 1.00 10.95 C ATOM 2296 CG1 ILE A 629 24.308 6.012 -2.177 1.00 14.25 C ATOM 2297 CG2 ILE A 629 25.827 8.023 -2.200 1.00 11.13 C ATOM 2298 CD1 ILE A 629 23.327 6.572 -1.148 1.00 12.61 C ATOM 2299 H ILE A 629 26.302 3.961 -1.886 1.00 0.00 H ATOM 2300 N MET A 630 28.833 6.225 -2.019 1.00 16.34 N ATOM 2301 CA MET A 630 30.155 6.845 -1.948 1.00 19.05 C ATOM 2302 C MET A 630 31.104 6.255 -2.986 1.00 13.98 C ATOM 2303 O MET A 630 31.967 6.954 -3.516 1.00 17.55 O ATOM 2304 CB MET A 630 30.756 6.712 -0.540 1.00 19.89 C ATOM 2305 CG MET A 630 31.316 5.335 -0.180 1.00 23.55 C ATOM 2306 SD MET A 630 32.223 5.326 1.383 1.00 22.72 S ATOM 2307 CE MET A 630 30.921 5.639 2.565 1.00 10.76 C ATOM 2308 H MET A 630 28.504 5.627 -1.234 1.00 0.00 H ATOM 2309 N TYR A 631 30.942 4.967 -3.271 1.00 19.71 N ATOM 2310 CA TYR A 631 31.802 4.281 -4.235 1.00 11.71 C ATOM 2311 C TYR A 631 31.560 4.788 -5.654 1.00 13.95 C ATOM 2312 O TYR A 631 32.464 4.771 -6.491 1.00 21.22 O ATOM 2313 CB TYR A 631 31.571 2.768 -4.182 1.00 15.38 C ATOM 2314 CG TYR A 631 32.736 1.940 -4.692 1.00 17.18 C ATOM 2315 CD1 TYR A 631 32.825 1.564 -6.026 1.00 21.36 C ATOM 2316 CD2 TYR A 631 33.745 1.528 -3.835 1.00 22.05 C ATOM 2317 CE1 TYR A 631 33.888 0.807 -6.489 1.00 27.49 C ATOM 2318 CE2 TYR A 631 34.811 0.772 -4.292 1.00 28.02 C ATOM 2319 CZ TYR A 631 34.877 0.413 -5.620 1.00 27.44 C ATOM 2320 OH TYR A 631 35.936 -0.342 -6.078 1.00 38.65 O ATOM 2321 HH TYR A 631 35.958 -1.206 -5.595 1.00 0.00 H ATOM 2322 H TYR A 631 30.185 4.434 -2.797 1.00 0.00 H ATOM 2323 N SER A 632 30.337 5.241 -5.917 1.00 18.49 N ATOM 2324 CA SER A 632 29.961 5.732 -7.239 1.00 15.72 C ATOM 2325 C SER A 632 30.670 7.044 -7.548 1.00 18.96 C ATOM 2326 O SER A 632 30.731 7.474 -8.698 1.00 19.21 O ATOM 2327 CB SER A 632 28.447 5.936 -7.316 1.00 13.26 C ATOM 2328 OG SER A 632 28.067 7.163 -6.724 1.00 17.96 O ATOM 2329 HG SER A 632 28.339 7.167 -5.772 1.00 0.00 H ATOM 2330 H SER A 632 29.627 5.245 -5.157 1.00 0.00 H ATOM 2331 N CYS A 633 31.200 7.678 -6.510 1.00 26.18 N ATOM 2332 CA CYS A 633 31.895 8.946 -6.658 1.00 22.85 C ATOM 2333 C CYS A 633 33.339 8.718 -7.086 1.00 13.63 C ATOM 2334 O CYS A 633 34.052 9.665 -7.413 1.00 12.88 O ATOM 2335 CB CYS A 633 31.864 9.716 -5.331 1.00 14.92 C ATOM 2336 SG CYS A 633 30.206 10.103 -4.706 1.00 15.41 S ATOM 2337 H CYS A 633 31.116 7.256 -5.563 1.00 0.00 H ATOM 2338 N TRP A 634 33.762 7.457 -7.090 1.00 14.37 N ATOM 2339 CA TRP A 634 35.172 7.126 -7.280 1.00 13.67 C ATOM 2340 C TRP A 634 35.468 6.417 -8.592 1.00 15.76 C ATOM 2341 O TRP A 634 36.504 5.769 -8.729 1.00 17.64 O ATOM 2342 CB TRP A 634 35.669 6.271 -6.120 1.00 10.50 C ATOM 2343 CG TRP A 634 35.533 6.950 -4.801 1.00 14.92 C ATOM 2344 CD1 TRP A 634 35.508 8.292 -4.566 1.00 8.07 C ATOM 2345 CD2 TRP A 634 35.382 6.318 -3.533 1.00 13.98 C ATOM 2346 NE1 TRP A 634 35.359 8.535 -3.225 1.00 14.77 N ATOM 2347 CE2 TRP A 634 35.278 7.336 -2.567 1.00 13.37 C ATOM 2348 CE3 TRP A 634 35.329 4.987 -3.117 1.00 15.26 C ATOM 2349 CZ2 TRP A 634 35.121 7.066 -1.215 1.00 18.97 C ATOM 2350 CZ3 TRP A 634 35.174 4.722 -1.779 1.00 17.25 C ATOM 2351 CH2 TRP A 634 35.070 5.754 -0.842 1.00 14.11 C ATOM 2352 HE1 TRP A 634 35.315 9.474 -2.781 1.00 0.00 H ATOM 2353 H TRP A 634 33.073 6.689 -6.955 1.00 0.00 H ATOM 2354 N HIS A 635 34.557 6.531 -9.552 1.00 16.04 N ATOM 2355 CA HIS A 635 34.816 6.030 -10.894 1.00 15.57 C ATOM 2356 C HIS A 635 36.091 6.668 -11.427 1.00 16.23 C ATOM 2357 O HIS A 635 36.321 7.864 -11.241 1.00 16.47 O ATOM 2358 CB HIS A 635 33.651 6.344 -11.834 1.00 16.61 C ATOM 2359 CG HIS A 635 32.467 5.446 -11.654 1.00 18.91 C ATOM 2360 ND1 HIS A 635 32.462 4.130 -12.058 1.00 21.62 N ATOM 2361 CD2 HIS A 635 31.245 5.683 -11.122 1.00 19.65 C ATOM 2362 CE1 HIS A 635 31.289 3.589 -11.775 1.00 22.53 C ATOM 2363 NE2 HIS A 635 30.533 4.511 -11.208 1.00 21.26 N ATOM 2364 H HIS A 635 33.645 6.985 -9.342 1.00 0.00 H ATOM 2365 N GLU A 636 36.922 5.860 -12.075 1.00 17.17 N ATOM 2366 CA GLU A 636 38.161 6.343 -12.668 1.00 17.15 C ATOM 2367 C GLU A 636 37.825 7.423 -13.680 1.00 20.70 C ATOM 2368 O GLU A 636 38.492 8.457 -13.756 1.00 26.11 O ATOM 2369 CB GLU A 636 38.872 5.194 -13.373 1.00 24.00 C ATOM 2370 CG GLU A 636 40.143 5.571 -14.108 1.00 27.15 C ATOM 2371 CD GLU A 636 40.644 4.434 -14.971 1.00 36.08 C ATOM 2372 OE1 GLU A 636 40.372 3.265 -14.624 1.00 39.37 O ATOM 2373 OE2 GLU A 636 41.295 4.703 -16.002 1.00 42.15 O ATOM 2374 H GLU A 636 36.681 4.852 -12.162 1.00 0.00 H ATOM 2375 N LYS A 637 36.770 7.165 -14.447 1.00 17.19 N ATOM 2376 CA LYS A 637 36.310 8.084 -15.473 1.00 21.61 C ATOM 2377 C LYS A 637 35.272 9.035 -14.896 1.00 20.73 C ATOM 2378 O LYS A 637 34.216 8.616 -14.420 1.00 20.18 O ATOM 2379 CB LYS A 637 35.741 7.302 -16.654 1.00 28.48 C ATOM 2380 CG LYS A 637 36.771 6.411 -17.327 1.00 38.74 C ATOM 2381 CD LYS A 637 37.865 7.239 -17.986 1.00 50.27 C ATOM 2382 CE LYS A 637 38.777 6.385 -18.853 1.00 55.14 C ATOM 2383 NZ LYS A 637 39.413 5.262 -18.104 1.00 59.05 N ATOM 2384 HZ1 LYS A 637 39.986 5.646 -17.326 1.00 0.00 H ATOM 2385 HZ2 LYS A 637 38.673 4.642 -17.717 1.00 0.00 H ATOM 2386 HZ3 LYS A 637 40.022 4.718 -18.748 1.00 0.00 H ATOM 2387 H LYS A 637 36.255 6.272 -14.307 1.00 0.00 H ATOM 2388 N ALA A 638 35.597 10.322 -14.943 1.00 20.32 N ATOM 2389 CA ALA A 638 34.792 11.362 -14.316 1.00 20.74 C ATOM 2390 C ALA A 638 33.362 11.408 -14.847 1.00 11.61 C ATOM 2391 O ALA A 638 32.432 11.724 -14.105 1.00 17.37 O ATOM 2392 CB ALA A 638 35.465 12.716 -14.508 1.00 17.86 C ATOM 2393 H ALA A 638 36.463 10.599 -15.449 1.00 0.00 H ATOM 2394 N ASP A 639 33.183 11.100 -16.126 1.00 13.33 N ATOM 2395 CA ASP A 639 31.870 11.221 -16.746 1.00 12.40 C ATOM 2396 C ASP A 639 30.954 10.063 -16.356 1.00 20.63 C ATOM 2397 O ASP A 639 29.760 10.080 -16.663 1.00 23.74 O ATOM 2398 CB ASP A 639 32.001 11.312 -18.265 1.00 14.50 C ATOM 2399 CG ASP A 639 32.530 10.039 -18.881 1.00 19.71 C ATOM 2400 OD1 ASP A 639 33.345 9.355 -18.228 1.00 29.76 O ATOM 2401 OD2 ASP A 639 32.131 9.718 -20.022 1.00 33.82 O ATOM 2402 H ASP A 639 33.990 10.768 -16.692 1.00 0.00 H ATOM 2403 N GLU A 640 31.512 9.066 -15.673 1.00 19.99 N ATOM 2404 CA GLU A 640 30.717 7.968 -15.132 1.00 15.29 C ATOM 2405 C GLU A 640 30.308 8.278 -13.695 1.00 19.54 C ATOM 2406 O GLU A 640 29.501 7.563 -13.101 1.00 18.95 O ATOM 2407 CB GLU A 640 31.496 6.651 -15.190 1.00 15.30 C ATOM 2408 CG GLU A 640 31.711 6.135 -16.595 1.00 21.12 C ATOM 2409 CD GLU A 640 32.404 4.788 -16.623 1.00 42.67 C ATOM 2410 OE1 GLU A 640 32.708 4.248 -15.538 1.00 45.03 O ATOM 2411 OE2 GLU A 640 32.642 4.266 -17.733 1.00 54.98 O ATOM 2412 H GLU A 640 32.541 9.070 -15.521 1.00 0.00 H ATOM 2413 N ARG A 641 30.867 9.348 -13.137 1.00 10.51 N ATOM 2414 CA ARG A 641 30.500 9.766 -11.792 1.00 11.30 C ATOM 2415 C ARG A 641 29.166 10.493 -11.797 1.00 27.84 C ATOM 2416 O ARG A 641 28.840 11.197 -12.753 1.00 23.90 O ATOM 2417 CB ARG A 641 31.554 10.686 -11.195 1.00 10.87 C ATOM 2418 CG ARG A 641 32.855 10.006 -10.951 1.00 12.07 C ATOM 2419 CD ARG A 641 33.904 10.976 -10.491 1.00 12.33 C ATOM 2420 NE ARG A 641 35.222 10.472 -10.852 1.00 13.14 N ATOM 2421 CZ ARG A 641 36.290 11.228 -11.070 1.00 13.44 C ATOM 2422 NH1 ARG A 641 37.431 10.651 -11.406 1.00 12.49 N ATOM 2423 NH2 ARG A 641 36.222 12.548 -10.952 1.00 12.34 N ATOM 2424 HE ARG A 641 35.334 9.442 -10.946 1.00 0.00 H ATOM 2425 HH12 ARG A 641 38.276 11.232 -11.580 1.00 0.00 H ATOM 2426 HH11 ARG A 641 37.484 9.616 -11.497 1.00 0.00 H ATOM 2427 HH22 ARG A 641 37.066 13.130 -11.126 1.00 0.00 H ATOM 2428 HH21 ARG A 641 35.324 13.001 -10.686 1.00 0.00 H ATOM 2429 H ARG A 641 31.575 9.893 -13.669 1.00 0.00 H ATOM 2430 N PRO A 642 28.397 10.346 -10.712 1.00 26.19 N ATOM 2431 CA PRO A 642 27.101 11.021 -10.646 1.00 21.77 C ATOM 2432 C PRO A 642 27.211 12.513 -10.380 1.00 22.18 C ATOM 2433 O PRO A 642 28.293 13.050 -10.129 1.00 25.65 O ATOM 2434 CB PRO A 642 26.422 10.352 -9.454 1.00 16.66 C ATOM 2435 CG PRO A 642 27.562 9.916 -8.574 1.00 12.35 C ATOM 2436 CD PRO A 642 28.653 9.514 -9.523 1.00 18.12 C ATOM 2437 N THR A 643 26.061 13.168 -10.443 1.00 17.88 N ATOM 2438 CA THR A 643 25.912 14.553 -10.047 1.00 17.28 C ATOM 2439 C THR A 643 25.464 14.565 -8.595 1.00 13.95 C ATOM 2440 O THR A 643 25.040 13.539 -8.063 1.00 13.35 O ATOM 2441 CB THR A 643 24.832 15.221 -10.887 1.00 20.20 C ATOM 2442 OG1 THR A 643 23.588 14.548 -10.660 1.00 16.36 O ATOM 2443 CG2 THR A 643 25.189 15.139 -12.363 1.00 20.10 C ATOM 2444 HG1 THR A 643 22.879 14.976 -11.203 1.00 0.00 H ATOM 2445 H THR A 643 25.223 12.662 -10.795 1.00 0.00 H ATOM 2446 N PHE A 644 25.548 15.723 -7.955 1.00 21.15 N ATOM 2447 CA PHE A 644 25.103 15.860 -6.575 1.00 19.50 C ATOM 2448 C PHE A 644 23.589 15.752 -6.452 1.00 22.50 C ATOM 2449 O PHE A 644 23.067 15.378 -5.399 1.00 22.86 O ATOM 2450 CB PHE A 644 25.586 17.190 -6.010 1.00 16.57 C ATOM 2451 CG PHE A 644 27.040 17.183 -5.630 1.00 12.56 C ATOM 2452 CD1 PHE A 644 27.479 16.430 -4.558 1.00 12.38 C ATOM 2453 CD2 PHE A 644 27.970 17.914 -6.347 1.00 17.27 C ATOM 2454 CE1 PHE A 644 28.810 16.410 -4.205 1.00 13.11 C ATOM 2455 CE2 PHE A 644 29.306 17.897 -5.992 1.00 15.11 C ATOM 2456 CZ PHE A 644 29.725 17.143 -4.920 1.00 12.38 C ATOM 2457 H PHE A 644 25.940 16.550 -8.448 1.00 0.00 H ATOM 2458 N LYS A 645 22.888 16.078 -7.533 1.00 23.65 N ATOM 2459 CA LYS A 645 21.437 15.969 -7.564 1.00 26.43 C ATOM 2460 C LYS A 645 21.044 14.499 -7.443 1.00 15.88 C ATOM 2461 O LYS A 645 20.108 14.150 -6.721 1.00 22.08 O ATOM 2462 CB LYS A 645 20.894 16.561 -8.867 1.00 32.05 C ATOM 2463 CG LYS A 645 19.376 16.579 -8.981 1.00 44.01 C ATOM 2464 CD LYS A 645 18.931 17.107 -10.342 1.00 55.67 C ATOM 2465 CE LYS A 645 19.148 18.613 -10.489 1.00 61.85 C ATOM 2466 NZ LYS A 645 18.853 19.074 -11.875 1.00 68.34 N ATOM 2467 HZ1 LYS A 645 19.481 18.583 -12.543 1.00 0.00 H ATOM 2468 HZ2 LYS A 645 17.862 18.859 -12.107 1.00 0.00 H ATOM 2469 HZ3 LYS A 645 19.011 20.100 -11.939 1.00 0.00 H ATOM 2470 H LYS A 645 23.389 16.420 -8.378 1.00 0.00 H ATOM 2471 N ILE A 646 21.775 13.642 -8.151 1.00 18.14 N ATOM 2472 CA ILE A 646 21.548 12.198 -8.108 1.00 22.91 C ATOM 2473 C ILE A 646 21.944 11.616 -6.754 1.00 22.19 C ATOM 2474 O ILE A 646 21.222 10.791 -6.190 1.00 15.61 O ATOM 2475 CB ILE A 646 22.332 11.480 -9.234 1.00 20.58 C ATOM 2476 CG1 ILE A 646 21.675 11.773 -10.582 1.00 24.59 C ATOM 2477 CG2 ILE A 646 22.386 9.956 -9.009 1.00 16.32 C ATOM 2478 CD1 ILE A 646 22.543 11.433 -11.781 1.00 19.66 C ATOM 2479 H ILE A 646 22.535 14.012 -8.757 1.00 0.00 H ATOM 2480 N LEU A 647 23.097 12.038 -6.242 1.00 16.72 N ATOM 2481 CA LEU A 647 23.580 11.564 -4.948 1.00 13.62 C ATOM 2482 C LEU A 647 22.569 11.883 -3.855 1.00 14.47 C ATOM 2483 O LEU A 647 22.298 11.056 -2.983 1.00 16.34 O ATOM 2484 CB LEU A 647 24.927 12.208 -4.613 1.00 12.88 C ATOM 2485 CG LEU A 647 26.126 11.682 -5.407 1.00 16.61 C ATOM 2486 CD1 LEU A 647 27.333 12.602 -5.251 1.00 17.91 C ATOM 2487 CD2 LEU A 647 26.480 10.265 -4.960 1.00 19.80 C ATOM 2488 H LEU A 647 23.669 12.723 -6.777 1.00 0.00 H ATOM 2489 N LEU A 648 22.011 13.087 -3.910 1.00 15.02 N ATOM 2490 CA LEU A 648 21.004 13.517 -2.948 1.00 18.01 C ATOM 2491 C LEU A 648 19.755 12.640 -3.031 1.00 16.82 C ATOM 2492 O LEU A 648 19.177 12.274 -2.006 1.00 19.90 O ATOM 2493 CB LEU A 648 20.640 14.981 -3.200 1.00 18.54 C ATOM 2494 CG LEU A 648 19.708 15.664 -2.198 1.00 20.37 C ATOM 2495 CD1 LEU A 648 20.290 15.637 -0.786 1.00 16.92 C ATOM 2496 CD2 LEU A 648 19.449 17.095 -2.644 1.00 17.92 C ATOM 2497 H LEU A 648 22.302 13.743 -4.663 1.00 0.00 H ATOM 2498 N SER A 649 19.339 12.308 -4.251 1.00 24.02 N ATOM 2499 CA SER A 649 18.207 11.410 -4.453 1.00 18.50 C ATOM 2500 C SER A 649 18.508 10.041 -3.851 1.00 20.97 C ATOM 2501 O SER A 649 17.650 9.439 -3.203 1.00 25.92 O ATOM 2502 CB SER A 649 17.886 11.262 -5.943 1.00 23.43 C ATOM 2503 OG SER A 649 16.770 10.413 -6.139 1.00 43.44 O ATOM 2504 HG SER A 649 16.583 10.334 -7.108 1.00 0.00 H ATOM 2505 H SER A 649 19.832 12.698 -5.079 1.00 0.00 H ATOM 2506 N ASN A 650 19.727 9.555 -4.071 1.00 21.23 N ATOM 2507 CA ASN A 650 20.160 8.284 -3.500 1.00 25.14 C ATOM 2508 C ASN A 650 20.064 8.313 -1.983 1.00 17.57 C ATOM 2509 O ASN A 650 19.526 7.393 -1.364 1.00 19.73 O ATOM 2510 CB ASN A 650 21.608 7.971 -3.898 1.00 23.72 C ATOM 2511 CG ASN A 650 21.808 7.896 -5.401 1.00 21.91 C ATOM 2512 OD1 ASN A 650 22.862 8.275 -5.916 1.00 30.23 O ATOM 2513 ND2 ASN A 650 20.798 7.409 -6.114 1.00 17.74 N ATOM 2514 HD22 ASN A 650 19.926 7.101 -5.638 1.00 0.00 H ATOM 2515 HD21 ASN A 650 20.879 7.336 -7.148 1.00 0.00 H ATOM 2516 H ASN A 650 20.388 10.095 -4.665 1.00 0.00 H ATOM 2517 N ILE A 651 20.589 9.380 -1.392 1.00 16.49 N ATOM 2518 CA ILE A 651 20.600 9.528 0.055 1.00 16.91 C ATOM 2519 C ILE A 651 19.171 9.571 0.595 1.00 18.27 C ATOM 2520 O ILE A 651 18.861 8.927 1.600 1.00 19.08 O ATOM 2521 CB ILE A 651 21.391 10.790 0.473 1.00 22.91 C ATOM 2522 CG1 ILE A 651 22.880 10.575 0.190 1.00 15.49 C ATOM 2523 CG2 ILE A 651 21.191 11.112 1.962 1.00 17.23 C ATOM 2524 CD1 ILE A 651 23.724 11.843 0.262 1.00 14.96 C ATOM 2525 H ILE A 651 21.004 10.131 -1.980 1.00 0.00 H ATOM 2526 N LEU A 652 18.305 10.322 -0.078 1.00 27.55 N ATOM 2527 CA LEU A 652 16.901 10.411 0.313 1.00 31.43 C ATOM 2528 C LEU A 652 16.195 9.063 0.209 1.00 30.35 C ATOM 2529 O LEU A 652 15.345 8.736 1.038 1.00 32.80 O ATOM 2530 CB LEU A 652 16.176 11.447 -0.550 1.00 35.00 C ATOM 2531 CG LEU A 652 16.531 12.903 -0.237 1.00 37.25 C ATOM 2532 CD1 LEU A 652 15.997 13.847 -1.306 1.00 33.55 C ATOM 2533 CD2 LEU A 652 16.006 13.304 1.138 1.00 37.05 C ATOM 2534 H LEU A 652 18.636 10.860 -0.904 1.00 0.00 H ATOM 2535 N ASP A 653 16.541 8.283 -0.810 1.00 23.48 N ATOM 2536 CA ASP A 653 15.938 6.969 -0.995 1.00 22.21 C ATOM 2537 C ASP A 653 16.326 6.024 0.137 1.00 30.50 C ATOM 2538 O ASP A 653 15.513 5.217 0.585 1.00 33.67 O ATOM 2539 CB ASP A 653 16.358 6.373 -2.339 1.00 21.90 C ATOM 2540 CG ASP A 653 15.661 7.031 -3.516 1.00 32.78 C ATOM 2541 OD1 ASP A 653 14.653 7.738 -3.305 1.00 36.30 O ATOM 2542 OD2 ASP A 653 16.119 6.834 -4.661 1.00 31.72 O ATOM 2543 H ASP A 653 17.255 8.617 -1.488 1.00 0.00 H ATOM 2544 N VAL A 654 17.567 6.126 0.599 1.00 26.50 N ATOM 2545 CA VAL A 654 18.037 5.293 1.702 1.00 21.97 C ATOM 2546 C VAL A 654 17.322 5.687 2.989 1.00 31.36 C ATOM 2547 O VAL A 654 16.929 4.827 3.778 1.00 34.59 O ATOM 2548 CB VAL A 654 19.568 5.406 1.880 1.00 23.02 C ATOM 2549 CG1 VAL A 654 20.029 4.779 3.204 1.00 26.72 C ATOM 2550 CG2 VAL A 654 20.275 4.747 0.702 1.00 22.39 C ATOM 2551 H VAL A 654 18.217 6.813 0.166 1.00 0.00 H ATOM 2552 N MET A 655 17.162 6.991 3.193 1.00 26.06 N ATOM 2553 CA MET A 655 16.389 7.507 4.316 1.00 28.81 C ATOM 2554 C MET A 655 14.979 6.942 4.316 1.00 30.85 C ATOM 2555 O MET A 655 14.523 6.383 5.315 1.00 41.25 O ATOM 2556 CB MET A 655 16.309 9.029 4.237 1.00 33.87 C ATOM 2557 CG MET A 655 17.571 9.711 4.676 1.00 37.60 C ATOM 2558 SD MET A 655 17.393 11.484 4.890 1.00 39.88 S ATOM 2559 CE MET A 655 18.999 11.841 5.579 1.00 32.99 C ATOM 2560 H MET A 655 17.601 7.663 2.532 1.00 0.00 H ATOM 2561 N ASP A 656 14.296 7.108 3.188 1.00 29.29 N ATOM 2562 CA ASP A 656 12.917 6.667 3.034 1.00 35.57 C ATOM 2563 C ASP A 656 12.752 5.184 3.351 1.00 31.21 C ATOM 2564 O ASP A 656 11.744 4.777 3.931 1.00 42.97 O ATOM 2565 CB ASP A 656 12.443 6.943 1.606 1.00 44.78 C ATOM 2566 CG ASP A 656 12.318 8.425 1.305 1.00 54.57 C ATOM 2567 OD1 ASP A 656 12.440 9.245 2.239 1.00 49.62 O ATOM 2568 OD2 ASP A 656 12.092 8.769 0.127 1.00 65.39 O ATOM 2569 H ASP A 656 14.765 7.571 2.384 1.00 0.00 H ATOM 2570 N GLU A 657 13.742 4.380 2.976 1.00 34.34 N ATOM 2571 CA GLU A 657 13.681 2.944 3.218 1.00 35.43 C ATOM 2572 C GLU A 657 13.807 2.657 4.710 1.00 38.04 C ATOM 2573 O GLU A 657 13.238 1.689 5.218 1.00 45.09 O ATOM 2574 CB GLU A 657 14.783 2.221 2.444 1.00 42.15 C ATOM 2575 CG GLU A 657 14.570 2.201 0.943 1.00 49.76 C ATOM 2576 CD GLU A 657 15.789 1.704 0.196 1.00 54.57 C ATOM 2577 OE1 GLU A 657 16.630 1.029 0.824 1.00 58.22 O ATOM 2578 OE2 GLU A 657 15.912 1.993 -1.015 1.00 51.09 O ATOM 2579 H GLU A 657 14.575 4.783 2.501 1.00 0.00 H ATOM 2580 N ASN A 658 14.553 3.510 5.407 1.00 32.47 N ATOM 2581 CA ASN A 658 14.711 3.397 6.851 1.00 32.99 C ATOM 2582 C ASN A 658 13.576 4.098 7.589 1.00 31.23 C ATOM 2583 O ASN A 658 12.601 3.464 7.989 1.00 51.87 O ATOM 2584 CB ASN A 658 16.054 3.990 7.287 1.00 37.63 C ATOM 2585 CG ASN A 658 17.233 3.367 6.558 1.00 40.06 C ATOM 2586 OD1 ASN A 658 17.120 2.285 5.985 1.00 41.25 O ATOM 2587 ND2 ASN A 658 18.374 4.047 6.582 1.00 39.16 N ATOM 2588 HD22 ASN A 658 18.425 4.959 7.079 1.00 0.00 H ATOM 2589 HD21 ASN A 658 19.216 3.667 6.104 1.00 0.00 H ATOM 2590 H ASN A 658 15.038 4.281 4.906 1.00 0.00 H TER 2591 ASN A 658 HETATM 2592 O HOH 1 38.249 7.697 20.297 1.00 42.25 O HETATM 2593 O HOH 2 42.757 21.604 2.882 1.00 22.12 O HETATM 2594 O HOH 3 39.755 10.171 -14.618 1.00 23.01 O HETATM 2595 O HOH 4 37.392 19.405 -7.019 1.00 20.91 O HETATM 2596 O HOH 5 29.837 32.877 -0.142 1.00 26.96 O HETATM 2597 O HOH 6 35.645 4.137 12.887 1.00 21.98 O HETATM 2598 O HOH 7 35.952 33.903 8.057 1.00 11.96 O HETATM 2599 O HOH 8 43.773 32.024 16.421 1.00 25.55 O HETATM 2600 O HOH 9 28.564 2.333 -6.552 1.00 24.04 O HETATM 2601 O HOH 10 36.019 22.930 18.699 1.00 36.57 O HETATM 2602 O HOH 11 36.948 -2.074 -4.525 1.00 27.72 O HETATM 2603 O HOH 12 36.234 27.578 -7.328 1.00 26.74 O HETATM 2604 O HOH 13 35.779 -2.063 -1.805 1.00 28.07 O HETATM 2605 O HOH 14 30.166 35.442 23.326 1.00 36.06 O HETATM 2606 O HOH 15 19.669 29.001 -1.491 1.00 33.91 O HETATM 2607 O HOH 16 32.501 2.715 10.969 1.00 20.08 O HETATM 2608 O HOH 17 31.845 27.411 20.423 1.00 26.82 O HETATM 2609 O HOH 18 47.027 36.085 9.900 1.00 30.34 O HETATM 2610 O HOH 19 33.939 29.471 7.378 1.00 13.42 O HETATM 2611 O HOH 20 42.832 7.531 11.550 1.00 21.31 O HETATM 2612 O HOH 21 25.037 7.468 -7.107 1.00 21.15 O HETATM 2613 O HOH 22 37.722 16.614 -12.974 1.00 24.27 O HETATM 2614 O HOH 23 45.936 40.750 3.967 1.00 15.26 O HETATM 2615 O HOH 24 35.872 47.976 5.193 1.00 25.80 O HETATM 2616 O HOH 25 31.425 31.232 3.569 1.00 16.36 O HETATM 2617 O HOH 26 23.017 20.748 -9.151 1.00 27.47 O HETATM 2618 O HOH 27 48.832 16.617 1.977 1.00 33.91 O HETATM 2619 O HOH 28 46.558 8.945 -9.110 1.00 41.29 O HETATM 2620 O HOH 29 43.184 10.264 -4.072 1.00 14.72 O HETATM 2621 O HOH 30 37.149 0.353 -8.330 1.00 31.82 O HETATM 2622 O HOH 31 43.230 30.799 7.519 1.00 26.93 O HETATM 2623 O HOH 32 41.028 9.580 -2.751 1.00 11.42 O HETATM 2624 O HOH 33 26.398 33.900 12.464 1.00 29.10 O HETATM 2625 O HOH 34 20.228 21.832 -2.664 1.00 32.38 O HETATM 2626 O HOH 35 27.041 14.058 -15.114 1.00 29.03 O HETATM 2627 O HOH 36 40.131 12.471 7.750 1.00 11.18 O HETATM 2628 O HOH 37 39.227 16.310 6.415 1.00 6.98 O HETATM 2629 O HOH 38 21.702 15.008 -12.497 1.00 24.97 O HETATM 2630 O HOH 39 50.352 13.961 -8.643 1.00 31.81 O HETATM 2631 O HOH 40 32.568 20.581 19.869 1.00 13.63 O HETATM 2632 O HOH 41 41.856 18.684 -4.837 1.00 30.80 O HETATM 2633 O HOH 42 25.370 16.355 14.025 1.00 19.86 O HETATM 2634 O HOH 43 24.116 29.372 6.310 1.00 12.75 O HETATM 2635 O HOH 44 17.941 15.635 -6.072 1.00 32.24 O HETATM 2636 O HOH 45 18.986 9.835 8.439 1.00 22.93 O HETATM 2637 O HOH 46 50.132 44.261 2.975 1.00 42.03 O HETATM 2638 O HOH 47 38.627 25.714 -1.551 1.00 16.57 O HETATM 2639 O HOH 48 39.917 18.138 -0.420 1.00 13.81 O HETATM 2640 O HOH 49 29.598 46.614 8.838 1.00 30.29 O HETATM 2641 O HOH 50 25.255 30.589 2.749 1.00 32.28 O HETATM 2642 O HOH 51 35.573 31.969 3.641 1.00 24.52 O HETATM 2643 O HOH 52 35.444 10.035 21.022 1.00 26.39 O HETATM 2644 O HOH 53 36.807 19.331 -3.619 1.00 12.49 O HETATM 2645 O HOH 54 24.280 28.161 11.941 1.00 18.69 O HETATM 2646 O HOH 55 54.140 34.992 -0.787 1.00 29.19 O HETATM 2647 O HOH 56 41.752 23.510 5.894 1.00 33.24 O HETATM 2648 O HOH 57 23.422 16.986 10.785 1.00 26.76 O HETATM 2649 O HOH 58 48.040 37.883 1.498 1.00 26.50 O HETATM 2650 O HOH 59 24.615 2.780 7.460 1.00 21.11 O HETATM 2651 O HOH 60 33.064 30.461 9.542 1.00 9.62 O HETATM 2652 O HOH 61 41.318 4.735 -11.078 1.00 7.86 O HETATM 2653 O HOH 62 41.915 11.897 11.597 1.00 28.48 O HETATM 2654 O HOH 63 35.401 4.449 -14.765 1.00 20.88 O HETATM 2655 O HOH 64 36.954 30.016 -6.473 1.00 28.40 O HETATM 2656 O HOH 65 26.274 21.898 20.445 1.00 51.30 O HETATM 2657 O HOH 66 38.333 25.023 7.363 1.00 29.18 O HETATM 2658 O HOH 67 39.993 -1.579 -0.323 1.00 22.86 O HETATM 2659 O HOH 68 50.297 20.559 -9.277 1.00 32.31 O HETATM 2660 O HOH 69 38.488 5.488 -2.621 1.00 17.23 O HETATM 2661 O HOH 70 46.888 39.089 -6.726 1.00 38.37 O HETATM 2662 O HOH 71 45.340 22.722 -3.812 1.00 41.55 O HETATM 2663 O HOH 72 34.978 30.069 20.428 1.00 38.73 O HETATM 2664 O HOH 73 30.597 21.678 -6.993 1.00 26.79 O HETATM 2665 O HOH 74 24.668 34.964 16.204 1.00 33.75 O HETATM 2666 O HOH 75 41.490 33.567 22.769 1.00 29.58 O HETATM 2667 O HOH 76 28.498 16.791 -11.862 1.00 24.74 O HETATM 2668 O HOH 77 33.376 3.339 -8.828 1.00 32.46 O HETATM 2669 O HOH 78 27.782 32.298 1.739 1.00 23.57 O HETATM 2670 O HOH 79 43.221 33.631 8.302 1.00 22.84 O HETATM 2671 O HOH 80 25.652 28.957 14.150 1.00 19.97 O HETATM 2672 O HOH 81 28.819 31.134 -9.609 1.00 31.59 O HETATM 2673 O HOH 82 30.552 44.039 17.429 1.00 20.25 O HETATM 2674 O HOH 83 38.644 24.275 9.766 1.00 37.45 O HETATM 2675 O HOH 84 23.223 5.122 7.378 1.00 29.20 O HETATM 2676 O HOH 85 52.234 1.704 14.497 1.00 42.72 O HETATM 2677 O HOH 86 37.276 24.085 14.249 1.00 14.07 O HETATM 2678 O HOH 87 49.464 8.061 7.724 1.00 26.72 O HETATM 2679 O HOH 88 37.624 44.141 19.256 1.00 32.91 O HETATM 2680 O HOH 89 43.121 21.374 -4.545 1.00 34.77 O HETATM 2681 O HOH 90 20.061 5.463 13.455 1.00 30.54 O HETATM 2682 O HOH 91 34.386 27.537 -9.892 1.00 21.12 O HETATM 2683 O HOH 92 33.941 30.208 0.726 1.00 32.08 O HETATM 2684 O HOH 93 38.726 17.434 -5.197 1.00 29.72 O HETATM 2685 O HOH 94 41.990 16.298 7.138 1.00 10.20 O HETATM 2686 O HOH 95 28.433 45.881 -1.048 1.00 45.34 O HETATM 2687 O HOH 96 35.524 -3.076 1.982 1.00 12.68 O HETATM 2688 O HOH 97 33.381 29.821 4.440 1.00 15.32 O HETATM 2689 O HOH 98 37.574 22.042 16.412 1.00 28.44 O HETATM 2690 O HOH 99 42.362 3.552 4.394 1.00 20.69 O HETATM 2691 O HOH 100 54.173 11.401 -0.681 1.00 21.89 O HETATM 2692 O HOH 101 22.762 3.541 15.077 1.00 26.91 O HETATM 2693 O HOH 102 45.994 14.280 1.377 1.00 10.72 O HETATM 2694 O HOH 103 26.919 33.601 -7.632 1.00 41.33 O HETATM 2695 O HOH 104 50.392 39.533 8.116 1.00 36.65 O HETATM 2696 O HOH 105 53.501 0.044 -9.398 1.00 35.18 O HETATM 2697 O HOH 106 32.416 21.279 -13.990 1.00 30.94 O HETATM 2698 O HOH 107 43.427 6.098 -12.801 1.00 40.66 O HETATM 2699 O HOH 108 21.643 23.367 21.107 1.00 43.71 O HETATM 2700 O HOH 109 33.248 -5.269 3.565 1.00 30.25 O HETATM 2701 O HOH 110 44.147 50.843 6.575 1.00 45.38 O HETATM 2702 O HOH 111 38.220 11.150 -16.561 1.00 25.12 O HETATM 2703 O HOH 112 38.184 47.905 5.539 1.00 21.47 O HETATM 2704 O HOH 113 23.079 31.577 10.837 1.00 30.24 O HETATM 2705 O HOH 114 35.126 2.381 -12.599 1.00 27.98 O HETATM 2706 O HOH 115 26.580 27.606 16.167 1.00 14.81 O HETATM 2707 O HOH 116 40.250 18.186 -3.196 1.00 24.80 O HETATM 2708 O HOH 117 18.589 26.934 1.722 1.00 24.10 O HETATM 2709 O HOH 118 22.900 14.778 12.043 1.00 26.08 O HETATM 2710 O HOH 119 34.677 18.852 18.158 1.00 10.26 O HETATM 2711 O HOH 120 28.926 13.479 -16.392 1.00 10.33 O HETATM 2712 O HOH 121 35.981 2.396 -8.960 1.00 34.63 O HETATM 2713 O HOH 122 41.428 13.323 -17.926 1.00 43.93 O HETATM 2714 O HOH 123 50.010 30.459 7.031 1.00 37.45 O HETATM 2715 O HOH 124 27.964 31.121 21.182 1.00 38.78 O HETATM 2716 O HOH 125 19.451 19.618 13.161 1.00 20.04 O HETATM 2717 O HOH 126 33.647 14.476 -16.950 1.00 36.28 O HETATM 2718 O HOH 127 39.326 24.558 12.085 1.00 41.53 O HETATM 2719 O HOH 128 41.488 1.849 2.134 1.00 22.11 O HETATM 2720 O HOH 129 45.515 17.311 2.834 1.00 30.76 O HETATM 2721 O HOH 130 22.212 -2.493 2.789 1.00 12.35 O HETATM 2722 O HOH 131 19.189 30.610 -5.511 1.00 36.17 O HETATM 2723 O HOH 132 21.718 6.481 -9.455 1.00 28.60 O HETATM 2724 O HOH 133 26.899 -3.421 7.818 1.00 22.30 O HETATM 2725 O HOH 134 24.158 4.747 -6.098 1.00 36.38 O HETATM 2726 O HOH 135 32.786 2.406 13.732 1.00 36.33 O HETATM 2727 O HOH 136 30.120 22.751 -11.876 1.00 42.93 O HETATM 2728 O HOH 137 15.977 14.504 -4.433 1.00 32.28 O HETATM 2729 O HOH 138 30.077 21.321 -9.495 1.00 29.40 O HETATM 2730 O HOH 139 44.367 7.293 -17.393 1.00 28.03 O HETATM 2731 O HOH 140 22.164 1.240 8.540 1.00 28.02 O HETATM 2732 O HOH 141 43.012 0.215 1.883 1.00 34.89 O HETATM 2733 O HOH 142 42.662 13.539 7.861 1.00 15.22 O HETATM 2734 O HOH 143 22.749 33.245 13.260 1.00 36.68 O HETATM 2735 O HOH 144 19.007 14.176 -11.965 1.00 40.80 O HETATM 2736 O HOH 145 38.957 13.904 -17.046 1.00 35.97 O HETATM 2737 O HOH 146 32.427 32.415 1.196 1.00 15.62 O HETATM 2738 O HOH 147 42.883 17.933 9.129 1.00 20.14 O HETATM 2739 O HOH 148 23.184 -3.354 6.961 1.00 41.11 O HETATM 2740 C4 DVJ A 149 37.862 25.488 17.609 1.00 0.10 C HETATM 2741 C3 DVJ A 149 37.808 25.782 19.113 1.00 -0.00 C HETATM 2742 N2 DVJ A 149 36.602 25.180 19.703 1.00 0.25 N HETATM 2743 C1 DVJ A 149 36.664 25.237 21.172 1.00 -0.04 C HETATM 2744 H8 DVJ A 149 35.756 24.783 21.595 1.00 0.08 H HETATM 2745 H9 DVJ A 149 36.735 26.286 21.496 1.00 0.08 H HETATM 2746 H10 DVJ A 149 37.548 24.684 21.523 1.00 0.08 H HETATM 2747 C40 DVJ A 149 35.359 25.812 19.211 1.00 0.03 C HETATM 2748 C6 DVJ A 149 35.494 26.178 17.752 1.00 0.11 C HETATM 2749 C7 DVJ A 149 34.563 26.696 16.937 1.00 -0.02 C HETATM 2750 C8 DVJ A 149 35.139 26.880 15.667 1.00 0.09 C HETATM 2751 N9 DVJ A 149 36.387 26.471 15.731 1.00 -0.23 N HETATM 2752 N5 DVJ A 149 36.629 26.028 17.032 1.00 -0.21 N HETATM 2753 N10 DVJ A 149 34.443 27.396 14.564 1.00 -0.27 N HETATM 2754 C11 DVJ A 149 35.012 27.960 13.420 1.00 0.14 C HETATM 2755 C12 DVJ A 149 36.292 27.698 13.005 1.00 -0.02 C HETATM 2756 C13 DVJ A 149 36.793 28.309 11.829 1.00 0.05 C HETATM 2757 N14 DVJ A 149 36.030 29.125 11.139 1.00 -0.19 N HETATM 2758 N15 DVJ A 149 34.720 29.404 11.539 1.00 -0.17 N HETATM 2759 C17 DVJ A 149 34.213 28.839 12.650 1.00 0.26 C HETATM 2760 O18 DVJ A 149 33.067 29.087 12.995 1.00 -0.40 O HETATM 2761 H12 DVJ A 149 34.157 30.027 10.996 1.00 0.27 H HETATM 2762 C19 DVJ A 149 38.183 28.023 11.373 1.00 -0.02 C HETATM 2763 C20 DVJ A 149 39.213 27.927 12.309 1.00 -0.08 C HETATM 2764 C21 DVJ A 149 40.504 27.654 11.897 1.00 -0.08 C HETATM 2765 C22 DVJ A 149 40.791 27.474 10.556 1.00 -0.05 C HETATM 2766 C23 DVJ A 149 39.774 27.562 9.616 1.00 0.07 C HETATM 2767 C24 DVJ A 149 38.476 27.830 10.021 1.00 -0.01 C HETATM 2768 C25 DVJ A 149 37.411 27.927 8.962 1.00 0.00 C HETATM 2769 C26 DVJ A 149 37.475 29.341 8.375 1.00 0.05 C HETATM 2770 O27 DVJ A 149 36.590 29.442 7.256 1.00 -0.39 O HETATM 2771 H20 DVJ A 149 36.634 30.320 6.897 1.00 0.21 H HETATM 2772 H18 DVJ A 149 38.503 29.554 8.048 1.00 0.06 H HETATM 2773 H19 DVJ A 149 37.176 30.069 9.143 1.00 0.06 H HETATM 2774 H16 DVJ A 149 36.421 27.749 9.407 1.00 0.04 H HETATM 2775 H17 DVJ A 149 37.597 27.184 8.173 1.00 0.04 H HETATM 2776 N28 DVJ A 149 40.036 27.379 8.253 1.00 -0.24 N HETATM 2777 C29 DVJ A 149 40.689 28.302 7.519 1.00 0.24 C HETATM 2778 O30 DVJ A 149 41.077 29.334 8.035 1.00 -0.38 O HETATM 2779 C31 DVJ A 149 40.930 28.047 6.090 1.00 0.11 C HETATM 2780 C32 DVJ A 149 40.530 26.950 5.440 1.00 -0.04 C HETATM 2781 C33 DVJ A 149 40.861 26.892 4.076 1.00 -0.01 C HETATM 2782 C34 DVJ A 149 40.576 25.873 3.134 1.00 -0.06 C HETATM 2783 C35 DVJ A 149 40.981 25.994 1.841 1.00 -0.07 C HETATM 2784 C36 DVJ A 149 41.682 27.118 1.419 1.00 -0.07 C HETATM 2785 C37 DVJ A 149 41.974 28.124 2.309 1.00 -0.05 C HETATM 2786 C38 DVJ A 149 41.567 28.022 3.646 1.00 0.04 C HETATM 2787 S39 DVJ A 149 41.785 29.123 5.001 1.00 -0.02 S HETATM 2788 H26 DVJ A 149 42.521 28.999 1.976 1.00 0.06 H HETATM 2789 H25 DVJ A 149 41.999 27.201 0.386 1.00 0.06 H HETATM 2790 H24 DVJ A 149 40.755 25.206 1.132 1.00 0.06 H HETATM 2791 H23 DVJ A 149 40.031 24.990 3.446 1.00 0.06 H HETATM 2792 H22 DVJ A 149 39.982 26.151 5.937 1.00 0.05 H HETATM 2793 H21 DVJ A 149 39.729 26.537 7.810 1.00 0.22 H HETATM 2794 H15 DVJ A 149 41.807 27.265 10.240 1.00 0.05 H HETATM 2795 H14 DVJ A 149 41.298 27.580 12.631 1.00 0.05 H HETATM 2796 H13 DVJ A 149 39.000 28.067 13.363 1.00 0.05 H HETATM 2797 H4 DVJ A 149 36.923 27.021 13.579 1.00 0.05 H HETATM 2798 H11 DVJ A 149 33.414 27.355 14.601 1.00 0.21 H HETATM 2799 H3 DVJ A 149 33.536 26.934 17.212 1.00 0.02 H HETATM 2800 H27 DVJ A 149 34.523 25.108 19.332 1.00 0.10 H HETATM 2801 H28 DVJ A 149 35.160 26.722 19.796 1.00 0.10 H HETATM 2802 H5 DVJ A 149 36.580 24.210 19.430 1.00 0.20 H HETATM 2803 H6 DVJ A 149 37.785 26.870 19.270 1.00 0.08 H HETATM 2804 H7 DVJ A 149 38.700 25.360 19.599 1.00 0.08 H HETATM 2805 H1 DVJ A 149 37.918 24.403 17.436 1.00 0.07 H HETATM 2806 H2 DVJ A 149 38.738 25.977 17.158 1.00 0.07 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 828 829 836 837 838 CONECT 836 828 CONECT 837 828 CONECT 838 828 CONECT 2740 2741 2752 2805 2806 CONECT 2741 2740 2742 2803 2804 CONECT 2742 2741 2743 2747 2802 CONECT 2743 2742 2744 2745 2746 CONECT 2744 2743 CONECT 2745 2743 CONECT 2746 2743 CONECT 2747 2742 2748 2800 2801 CONECT 2748 2747 2749 2752 CONECT 2749 2748 2750 2799 CONECT 2750 2749 2751 2753 CONECT 2751 2750 2752 CONECT 2752 2740 2748 2751 CONECT 2753 2750 2754 2798 CONECT 2754 2753 2755 2759 CONECT 2755 2754 2756 2797 CONECT 2756 2755 2757 2762 CONECT 2757 2756 2758 CONECT 2758 2757 2759 2761 CONECT 2759 2754 2758 2760 CONECT 2760 2759 CONECT 2761 2758 CONECT 2762 2756 2763 2767 CONECT 2763 2762 2764 2796 CONECT 2764 2763 2765 2795 CONECT 2765 2764 2766 2794 CONECT 2766 2765 2767 2776 CONECT 2767 2762 2766 2768 CONECT 2768 2767 2769 2774 2775 CONECT 2769 2768 2770 2772 2773 CONECT 2770 2769 2771 CONECT 2771 2770 CONECT 2772 2769 CONECT 2773 2769 CONECT 2774 2768 CONECT 2775 2768 CONECT 2776 2766 2777 2793 CONECT 2777 2776 2778 2779 CONECT 2778 2777 CONECT 2779 2777 2780 2787 CONECT 2780 2779 2781 2792 CONECT 2781 2780 2782 2786 CONECT 2782 2781 2783 2791 CONECT 2783 2782 2784 2790 CONECT 2784 2783 2785 2789 CONECT 2785 2784 2786 2788 CONECT 2786 2781 2785 2787 CONECT 2787 2779 2786 CONECT 2788 2785 CONECT 2789 2784 CONECT 2790 2783 CONECT 2791 2782 CONECT 2792 2780 CONECT 2793 2776 CONECT 2794 2765 CONECT 2795 2764 CONECT 2796 2763 CONECT 2797 2755 CONECT 2798 2753 CONECT 2799 2749 CONECT 2800 2747 CONECT 2801 2747 CONECT 2802 2742 CONECT 2803 2741 CONECT 2804 2741 CONECT 2805 2740 CONECT 2806 2740 MASTER 0 0 0 0 0 0 0 0 2804 2 75 21 END
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3piy
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274aa, >3PIZ_1|Chain... at 100%
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274aa, >3PJ1_1|Chain... at 100%
3pj2
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RCSB PDB
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271aa, >4OTF_1|Chain... at 97%
4rfy
RCSB PDB
PDBbind
283aa, >4RFY_1|Chain... at 95%
4rfz
RCSB PDB
PDBbind
283aa, >4RFZ_1|Chain... at 95%
4rg0
RCSB PDB
PDBbind
283aa, >4RG0_1|Chain... at 95%
4rx5
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270aa, >4ZLY_1|Chain... at 100%
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RCSB PDB
PDBbind
270aa, >4ZLZ_1|Chain... at 100%
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283aa, >5BQ0_1|Chain... at 96%
5fbn
RCSB PDB
PDBbind
271aa, >5FBN_1|Chains... at 100%
5fbo
RCSB PDB
PDBbind
271aa, >5FBO_1|Chain... at 100%
5j87
RCSB PDB
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5jrs
RCSB PDB
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RCSB PDB
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267aa, >5T18_1|Chain... at 99%
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5vgo
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271aa, >5VGO_1|Chain... at 97%
5xyz
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6di0
RCSB PDB
PDBbind
271aa, >6DI0_1|Chain... at 100%
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6e4f
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6nfi
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268aa, >6NFI_1|Chain... at 100%
6nfh
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6hrp
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287aa, >6BKW_1|Chain... at 92%
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287aa, >6BIK_1|Chain... at 92%
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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
6bke
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase BTK
Ligand Name
DVJ
EC.Number
E.C.2.7.10.2
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=4.5nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Comput. Aided Mol. Des. Vol. 33: pp. 307-330
Ligand Properties
Formula
C
2
8
H
2
8
N
7
O
3
S
Molecular Weight
542.632
Exact Mass
542.197
No. of atoms
67
No. of bonds
72
Polar Surface Area
157.61
LOGP Value
3.00 (
Computed with XLOGP3
)
4.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 6
Canonical SMILES
OCCc1c(cccc1c1n[nH]c(=O)c(c1)Nc1nn2c(c1)C[N@@H+](CC2)C)NC(=O)c1cc2c(s1)cccc2
InChI String
InChI=1S/C28H27N7O3S/c1-34-10-11-35-18(16-34)14-26(33-35)29-23-15-22(31-32-27(23)37)19-6-4-7-21(20(19)9-12-36)30-28(38)25-13-17-5-2-3-8-24(17)39-25/h2-8,13-15,36H,9-12,16H2,1H3,(H,30,38)(H,32,37)(H,29,31,33)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q06187
Entrez Gene ID
NCBI Entrez Gene ID:
695
ASD
Information of known allosteric effects of PDB entries
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