Browse entries in the PDBbind-CN Database
HEADER 4RX8_COMPLEX COMPND 4RX8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 42 TYR LEU ASP ARG LYS LEU LEU THR LEU GLU ASP LYS GLU SEQRES 2 A 42 LEU GLY SER GLY ASN PHE GLY THR VAL LYS LYS GLY TYR SEQRES 3 A 42 TYR GLN MET LYS LYS VAL VAL LYS THR VAL ALA VAL LYS SEQRES 4 A 42 ILE LEU LYS SEQRES 1 A 120 PRO ALA LEU LYS ASP GLU LEU LEU ALA GLU ALA ASN VAL SEQRES 2 A 120 MET GLN GLN LEU ASP ASN PRO TYR ILE VAL ARG MET ILE SEQRES 3 A 120 GLY ILE CYS GLU ALA GLU SER TRP MET LEU VAL MET GLU SEQRES 4 A 120 MET ALA GLU LEU GLY PRO LEU ASN LYS TYR LEU GLN GLN SEQRES 5 A 120 ASN ARG HIS VAL THR ASP LYS ASN ILE ILE GLU LEU VAL SEQRES 6 A 120 HIS GLN VAL SER MET GLY MET LYS TYR LEU GLU GLU SER SEQRES 7 A 120 ASN PHE VAL HIS ARG ASP LEU ALA ALA ARG ASN VAL LEU SEQRES 8 A 120 LEU VAL THR GLN HIS TYR ALA LYS ILE SER ASP PHE GLY SEQRES 9 A 120 LEU SER LYS ALA LEU ARG ALA ASP GLU ASN TYR TYR LYS SEQRES 10 A 120 ALA GLN THR SEQRES 1 A 107 GLY LYS TRP PRO VAL LYS TRP TYR ALA PRO GLU CYS ILE SEQRES 2 A 107 ASN TYR TYR LYS PHE SER SER LYS SER ASP VAL TRP SER SEQRES 3 A 107 PHE GLY VAL LEU MET TRP GLU ALA PHE SER TYR GLY GLN SEQRES 4 A 107 LYS PRO TYR ARG GLY MET LYS GLY SER GLU VAL THR ALA SEQRES 5 A 107 MET LEU GLU LYS GLY GLU ARG MET GLY CYS PRO ALA GLY SEQRES 6 A 107 CYS PRO ARG GLU MET TYR ASP LEU MET ASN LEU CYS TRP SEQRES 7 A 107 THR TYR ASP VAL GLU ASN ARG PRO GLY PHE ALA ALA VAL SEQRES 8 A 107 GLU LEU ARG LEU ARG ASN TYR TYR TYR ASP VAL VAL ASN SEQRES 9 A 107 HIS HIS HIS HET UNN A 497 50 ATOM 1 N TYR A 364 21.910 -2.519 9.106 1.00 30.68 N ATOM 2 CA TYR A 364 21.430 -3.118 7.859 1.00 29.55 C ATOM 3 C TYR A 364 21.065 -4.570 8.040 1.00 30.13 C ATOM 4 O TYR A 364 21.927 -5.400 8.335 1.00 30.82 O ATOM 5 CB TYR A 364 22.449 -2.930 6.726 1.00 31.38 C ATOM 6 CG TYR A 364 22.349 -1.556 6.105 1.00 34.51 C ATOM 7 CD1 TYR A 364 21.337 -1.251 5.200 1.00 36.60 C ATOM 8 CD2 TYR A 364 23.221 -0.537 6.477 1.00 36.79 C ATOM 9 CE1 TYR A 364 21.213 0.027 4.655 1.00 40.01 C ATOM 10 CE2 TYR A 364 23.115 0.743 5.929 1.00 38.47 C ATOM 11 CZ TYR A 364 22.103 1.023 5.024 1.00 48.11 C ATOM 12 OH TYR A 364 21.982 2.285 4.489 1.00 51.17 O ATOM 13 HH TYR A 364 21.212 2.306 3.867 1.00 0.00 H ATOM 14 HN3 TYR A 364 22.755 -3.031 9.432 1.00 0.00 H ATOM 15 HN2 TYR A 364 21.165 -2.582 9.829 1.00 0.00 H ATOM 16 HN1 TYR A 364 22.150 -1.521 8.940 1.00 0.00 H ATOM 17 N LEU A 365 19.780 -4.878 7.855 1.00 21.84 N ATOM 18 CA LEU A 365 19.237 -6.215 8.063 1.00 21.28 C ATOM 19 C LEU A 365 19.289 -7.112 6.845 1.00 26.28 C ATOM 20 O LEU A 365 19.341 -6.620 5.715 1.00 26.61 O ATOM 21 CB LEU A 365 17.796 -6.114 8.599 1.00 19.87 C ATOM 22 CG LEU A 365 17.601 -5.262 9.852 1.00 21.46 C ATOM 23 CD1 LEU A 365 16.134 -5.235 10.250 1.00 19.85 C ATOM 24 CD2 LEU A 365 18.444 -5.784 11.038 1.00 20.97 C ATOM 25 H LEU A 365 19.132 -4.125 7.546 1.00 0.00 H ATOM 26 N ASP A 366 19.239 -8.427 7.089 1.00 21.68 N ATOM 27 CA ASP A 366 19.269 -9.473 6.074 1.00 22.37 C ATOM 28 C ASP A 366 17.830 -9.837 5.684 1.00 25.02 C ATOM 29 O ASP A 366 17.095 -10.364 6.517 1.00 23.46 O ATOM 30 CB ASP A 366 20.045 -10.697 6.618 1.00 25.23 C ATOM 31 CG ASP A 366 20.266 -11.827 5.628 1.00 33.64 C ATOM 32 OD1 ASP A 366 19.657 -11.790 4.536 1.00 33.46 O ATOM 33 OD2 ASP A 366 20.999 -12.786 5.972 1.00 36.36 O ATOM 34 H ASP A 366 19.173 -8.727 8.083 1.00 0.00 H ATOM 35 N ARG A 367 17.425 -9.554 4.417 1.00 23.47 N ATOM 36 CA ARG A 367 16.063 -9.856 3.938 1.00 23.88 C ATOM 37 C ARG A 367 15.676 -11.334 4.114 1.00 27.07 C ATOM 38 O ARG A 367 14.499 -11.615 4.376 1.00 26.39 O ATOM 39 CB ARG A 367 15.853 -9.405 2.469 1.00 25.08 C ATOM 40 CG ARG A 367 14.435 -9.620 1.893 1.00 29.05 C ATOM 41 CD ARG A 367 13.376 -8.789 2.595 1.00 32.03 C ATOM 42 NE ARG A 367 12.058 -8.869 1.955 1.00 29.41 N ATOM 43 CZ ARG A 367 11.115 -9.747 2.274 1.00 41.70 C ATOM 44 NH1 ARG A 367 11.335 -10.658 3.215 1.00 35.02 N ATOM 45 NH2 ARG A 367 9.943 -9.723 1.655 1.00 32.98 N ATOM 46 HE ARG A 367 11.848 -8.189 1.197 1.00 0.00 H ATOM 47 HH12 ARG A 367 10.592 -11.343 3.460 1.00 0.00 H ATOM 48 HH11 ARG A 367 12.251 -10.687 3.707 1.00 0.00 H ATOM 49 HH22 ARG A 367 9.207 -10.413 1.908 1.00 0.00 H ATOM 50 HH21 ARG A 367 9.760 -9.014 0.916 1.00 0.00 H ATOM 51 H ARG A 367 18.100 -9.109 3.763 1.00 0.00 H ATOM 52 N LYS A 368 16.646 -12.271 4.001 1.00 24.90 N ATOM 53 CA LYS A 368 16.357 -13.702 4.167 1.00 26.62 C ATOM 54 C LYS A 368 15.891 -14.052 5.594 1.00 30.11 C ATOM 55 O LYS A 368 15.242 -15.088 5.793 1.00 31.54 O ATOM 56 CB LYS A 368 17.529 -14.586 3.710 1.00 32.59 C ATOM 57 CG LYS A 368 18.608 -14.861 4.755 1.00 52.25 C ATOM 58 H LYS A 368 17.619 -11.971 3.792 1.00 0.00 H ATOM 59 N LEU A 369 16.228 -13.185 6.574 1.00 25.11 N ATOM 60 CA LEU A 369 15.861 -13.385 7.978 1.00 23.22 C ATOM 61 C LEU A 369 14.547 -12.707 8.354 1.00 24.72 C ATOM 62 O LEU A 369 14.096 -12.841 9.499 1.00 22.86 O ATOM 63 CB LEU A 369 16.990 -12.935 8.909 1.00 22.38 C ATOM 64 CG LEU A 369 18.341 -13.692 8.779 1.00 26.98 C ATOM 65 CD1 LEU A 369 19.361 -13.119 9.757 1.00 27.35 C ATOM 66 CD2 LEU A 369 18.178 -15.204 9.009 1.00 28.20 C ATOM 67 H LEU A 369 16.773 -12.337 6.320 1.00 0.00 H ATOM 68 N LEU A 370 13.933 -11.999 7.394 1.00 21.99 N ATOM 69 CA LEU A 370 12.663 -11.289 7.583 1.00 21.28 C ATOM 70 C LEU A 370 11.538 -12.013 6.823 1.00 26.13 C ATOM 71 O LEU A 370 11.682 -12.311 5.636 1.00 27.72 O ATOM 72 CB LEU A 370 12.806 -9.839 7.095 1.00 20.32 C ATOM 73 CG LEU A 370 11.562 -8.944 7.118 1.00 24.42 C ATOM 74 CD1 LEU A 370 11.118 -8.641 8.558 1.00 23.56 C ATOM 75 CD2 LEU A 370 11.834 -7.641 6.399 1.00 23.84 C ATOM 76 H LEU A 370 14.385 -11.950 6.459 1.00 0.00 H ATOM 77 N THR A 371 10.428 -12.301 7.516 1.00 22.39 N ATOM 78 CA THR A 371 9.241 -12.930 6.937 1.00 23.85 C ATOM 79 C THR A 371 8.081 -11.955 7.141 1.00 28.91 C ATOM 80 O THR A 371 7.694 -11.720 8.289 1.00 29.16 O ATOM 81 CB THR A 371 8.948 -14.280 7.608 1.00 33.10 C ATOM 82 OG1 THR A 371 10.100 -15.120 7.524 1.00 32.67 O ATOM 83 CG2 THR A 371 7.749 -14.989 6.997 1.00 36.31 C ATOM 84 HG1 THR A 371 10.860 -14.683 7.984 1.00 0.00 H ATOM 85 H THR A 371 10.409 -12.063 8.528 1.00 0.00 H ATOM 86 N LEU A 372 7.536 -11.395 6.048 1.00 25.75 N ATOM 87 CA LEU A 372 6.422 -10.449 6.131 1.00 24.67 C ATOM 88 C LEU A 372 5.075 -11.105 5.913 1.00 30.62 C ATOM 89 O LEU A 372 4.946 -11.986 5.062 1.00 30.19 O ATOM 90 CB LEU A 372 6.569 -9.309 5.108 1.00 24.75 C ATOM 91 CG LEU A 372 7.708 -8.315 5.284 1.00 28.82 C ATOM 92 CD1 LEU A 372 7.797 -7.413 4.071 1.00 29.83 C ATOM 93 CD2 LEU A 372 7.525 -7.479 6.540 1.00 28.91 C ATOM 94 H LEU A 372 7.918 -11.642 5.113 1.00 0.00 H ATOM 95 N GLU A 373 4.060 -10.629 6.654 1.00 27.68 N ATOM 96 CA GLU A 373 2.672 -11.038 6.494 1.00 29.68 C ATOM 97 C GLU A 373 2.076 -10.020 5.510 1.00 36.03 C ATOM 98 O GLU A 373 2.430 -8.840 5.573 1.00 35.80 O ATOM 99 CB GLU A 373 1.945 -11.054 7.853 1.00 30.91 C ATOM 100 CG GLU A 373 2.218 -12.353 8.606 1.00 44.78 C ATOM 101 CD GLU A 373 1.532 -12.603 9.939 1.00 71.80 C ATOM 102 OE1 GLU A 373 0.752 -11.740 10.399 1.00 62.61 O ATOM 103 OE2 GLU A 373 1.781 -13.680 10.527 1.00 72.57 O ATOM 104 H GLU A 373 4.280 -9.925 7.387 1.00 0.00 H ATOM 105 N ASP A 374 1.241 -10.478 4.570 1.00 34.30 N ATOM 106 CA ASP A 374 0.671 -9.638 3.510 1.00 35.08 C ATOM 107 C ASP A 374 -0.282 -8.532 3.969 1.00 37.56 C ATOM 108 O ASP A 374 -0.336 -7.484 3.323 1.00 37.18 O ATOM 109 CB ASP A 374 -0.027 -10.507 2.452 1.00 38.38 C ATOM 110 H ASP A 374 0.982 -11.485 4.592 1.00 0.00 H ATOM 111 N LYS A 375 -1.043 -8.768 5.048 1.00 33.61 N ATOM 112 CA LYS A 375 -2.050 -7.833 5.556 1.00 32.33 C ATOM 113 C LYS A 375 -1.508 -6.458 5.959 1.00 34.02 C ATOM 114 O LYS A 375 -0.534 -6.372 6.699 1.00 33.09 O ATOM 115 CB LYS A 375 -2.834 -8.457 6.721 1.00 34.62 C ATOM 116 H LYS A 375 -0.910 -9.667 5.553 1.00 0.00 H ATOM 117 N GLU A 376 -2.154 -5.381 5.501 1.00 29.27 N ATOM 118 CA GLU A 376 -1.728 -4.051 5.901 1.00 28.11 C ATOM 119 C GLU A 376 -2.316 -3.757 7.278 1.00 29.83 C ATOM 120 O GLU A 376 -3.526 -3.893 7.468 1.00 30.75 O ATOM 121 CB GLU A 376 -2.179 -2.979 4.892 1.00 30.23 C ATOM 122 H GLU A 376 -2.963 -5.495 4.857 1.00 0.00 H ATOM 123 N LEU A 377 -1.464 -3.393 8.247 1.00 21.51 N ATOM 124 CA LEU A 377 -1.949 -3.032 9.581 1.00 20.08 C ATOM 125 C LEU A 377 -2.452 -1.601 9.572 1.00 22.83 C ATOM 126 O LEU A 377 -3.343 -1.242 10.343 1.00 21.69 O ATOM 127 CB LEU A 377 -0.827 -3.142 10.619 1.00 19.84 C ATOM 128 CG LEU A 377 -0.215 -4.517 10.881 1.00 26.05 C ATOM 129 CD1 LEU A 377 0.767 -4.435 12.016 1.00 25.03 C ATOM 130 CD2 LEU A 377 -1.277 -5.580 11.189 1.00 30.30 C ATOM 131 H LEU A 377 -0.443 -3.367 8.048 1.00 0.00 H ATOM 132 N GLY A 378 -1.798 -0.773 8.763 1.00 20.43 N ATOM 133 CA GLY A 378 -2.092 0.640 8.645 1.00 20.59 C ATOM 134 C GLY A 378 -1.313 1.248 7.507 1.00 24.31 C ATOM 135 O GLY A 378 -0.558 0.547 6.826 1.00 24.08 O ATOM 136 H GLY A 378 -1.030 -1.163 8.181 1.00 0.00 H ATOM 137 N SER A 379 -1.524 2.550 7.275 1.00 21.34 N ATOM 138 CA SER A 379 -0.871 3.264 6.195 1.00 22.33 C ATOM 139 C SER A 379 -0.756 4.751 6.473 1.00 26.94 C ATOM 140 O SER A 379 -1.457 5.294 7.324 1.00 25.66 O ATOM 141 CB SER A 379 -1.624 3.053 4.879 1.00 26.64 C ATOM 142 OG SER A 379 -2.929 3.593 4.992 1.00 33.12 O ATOM 143 HG SER A 379 -3.416 3.457 4.141 1.00 0.00 H ATOM 144 H SER A 379 -2.181 3.068 7.893 1.00 0.00 H ATOM 145 N GLY A 380 0.127 5.386 5.722 1.00 25.91 N ATOM 146 CA GLY A 380 0.373 6.824 5.766 1.00 26.67 C ATOM 147 C GLY A 380 0.822 7.270 4.395 1.00 32.68 C ATOM 148 O GLY A 380 0.743 6.481 3.446 1.00 32.71 O ATOM 149 H GLY A 380 0.686 4.821 5.052 1.00 0.00 H ATOM 150 N ASN A 381 1.326 8.516 4.266 1.00 31.36 N ATOM 151 CA ASN A 381 1.805 9.008 2.963 1.00 32.09 C ATOM 152 C ASN A 381 3.008 8.188 2.454 1.00 33.94 C ATOM 153 O ASN A 381 3.144 7.974 1.251 1.00 35.03 O ATOM 154 CB ASN A 381 2.175 10.494 3.043 1.00 36.50 C ATOM 155 H ASN A 381 1.377 9.137 5.099 1.00 0.00 H ATOM 156 N PHE A 382 3.849 7.716 3.388 1.00 28.05 N ATOM 157 CA PHE A 382 5.058 6.927 3.149 1.00 25.80 C ATOM 158 C PHE A 382 4.814 5.574 2.484 1.00 27.44 C ATOM 159 O PHE A 382 5.668 5.105 1.744 1.00 27.36 O ATOM 160 CB PHE A 382 5.830 6.717 4.466 1.00 25.54 C ATOM 161 CG PHE A 382 5.109 5.839 5.471 1.00 24.89 C ATOM 162 CD1 PHE A 382 5.272 4.452 5.459 1.00 26.21 C ATOM 163 CD2 PHE A 382 4.267 6.396 6.426 1.00 24.81 C ATOM 164 CE1 PHE A 382 4.545 3.639 6.334 1.00 25.64 C ATOM 165 CE2 PHE A 382 3.582 5.583 7.341 1.00 26.54 C ATOM 166 CZ PHE A 382 3.731 4.212 7.291 1.00 24.42 C ATOM 167 H PHE A 382 3.619 7.932 4.379 1.00 0.00 H ATOM 168 N GLY A 383 3.690 4.940 2.803 1.00 23.38 N ATOM 169 CA GLY A 383 3.391 3.586 2.353 1.00 23.19 C ATOM 170 C GLY A 383 2.579 2.833 3.388 1.00 26.13 C ATOM 171 O GLY A 383 1.596 3.366 3.913 1.00 24.96 O ATOM 172 H GLY A 383 2.994 5.431 3.399 1.00 0.00 H ATOM 173 N THR A 384 2.983 1.584 3.715 1.00 21.11 N ATOM 174 CA THR A 384 2.182 0.764 4.620 1.00 19.18 C ATOM 175 C THR A 384 2.961 0.236 5.820 1.00 19.13 C ATOM 176 O THR A 384 4.191 0.259 5.808 1.00 17.44 O ATOM 177 CB THR A 384 1.561 -0.423 3.853 1.00 29.00 C ATOM 178 OG1 THR A 384 2.607 -1.274 3.384 1.00 25.28 O ATOM 179 CG2 THR A 384 0.681 0.011 2.674 1.00 32.31 C ATOM 180 HG1 THR A 384 3.202 -0.762 2.781 1.00 0.00 H ATOM 181 H THR A 384 3.868 1.206 3.320 1.00 0.00 H ATOM 182 N VAL A 385 2.240 -0.222 6.851 1.00 14.88 N ATOM 183 CA VAL A 385 2.856 -0.902 8.015 1.00 13.62 C ATOM 184 C VAL A 385 2.395 -2.357 7.941 1.00 17.77 C ATOM 185 O VAL A 385 1.195 -2.612 7.821 1.00 17.04 O ATOM 186 CB VAL A 385 2.456 -0.282 9.379 1.00 16.88 C ATOM 187 CG1 VAL A 385 3.077 -1.059 10.551 1.00 16.86 C ATOM 188 CG2 VAL A 385 2.862 1.186 9.447 1.00 15.67 C ATOM 189 H VAL A 385 1.208 -0.096 6.834 1.00 0.00 H ATOM 190 N LYS A 386 3.335 -3.313 8.005 1.00 14.40 N ATOM 191 CA LYS A 386 2.993 -4.731 7.976 1.00 14.07 C ATOM 192 C LYS A 386 3.652 -5.456 9.138 1.00 16.83 C ATOM 193 O LYS A 386 4.669 -5.004 9.667 1.00 16.11 O ATOM 194 CB LYS A 386 3.395 -5.379 6.626 1.00 17.20 C ATOM 195 CG LYS A 386 2.576 -4.812 5.466 1.00 19.56 C ATOM 196 CD LYS A 386 2.674 -5.655 4.201 1.00 29.25 C ATOM 197 CE LYS A 386 1.932 -4.980 3.072 1.00 38.38 C ATOM 198 NZ LYS A 386 1.794 -5.881 1.888 1.00 44.32 N ATOM 199 HZ1 LYS A 386 2.739 -6.150 1.546 1.00 0.00 H ATOM 200 HZ2 LYS A 386 1.268 -6.735 2.163 1.00 0.00 H ATOM 201 HZ3 LYS A 386 1.280 -5.383 1.133 1.00 0.00 H ATOM 202 H LYS A 386 4.335 -3.035 8.077 1.00 0.00 H ATOM 203 N LYS A 387 3.073 -6.565 9.540 1.00 14.08 N ATOM 204 CA LYS A 387 3.654 -7.391 10.587 1.00 14.05 C ATOM 205 C LYS A 387 4.661 -8.325 9.945 1.00 18.51 C ATOM 206 O LYS A 387 4.456 -8.823 8.826 1.00 18.12 O ATOM 207 CB LYS A 387 2.547 -8.233 11.267 1.00 17.03 C ATOM 208 CG LYS A 387 3.061 -9.128 12.381 1.00 18.36 C ATOM 209 CD LYS A 387 1.884 -9.763 13.111 1.00 19.34 C ATOM 210 CE LYS A 387 2.308 -10.558 14.314 1.00 25.39 C ATOM 211 NZ LYS A 387 1.131 -10.899 15.173 1.00 25.26 N ATOM 212 HZ1 LYS A 387 0.673 -10.023 15.496 1.00 0.00 H ATOM 213 HZ2 LYS A 387 0.453 -11.463 14.622 1.00 0.00 H ATOM 214 HZ3 LYS A 387 1.452 -11.448 15.996 1.00 0.00 H ATOM 215 H LYS A 387 2.178 -6.859 9.099 1.00 0.00 H ATOM 216 N GLY A 388 5.721 -8.615 10.681 1.00 14.46 N ATOM 217 CA GLY A 388 6.681 -9.601 10.220 1.00 15.67 C ATOM 218 C GLY A 388 7.395 -10.288 11.363 1.00 18.18 C ATOM 219 O GLY A 388 7.100 -10.045 12.537 1.00 14.66 O ATOM 220 H GLY A 388 5.867 -8.135 11.592 1.00 0.00 H ATOM 221 N TYR A 389 8.362 -11.138 11.014 1.00 18.22 N ATOM 222 CA TYR A 389 9.156 -11.841 12.006 1.00 19.33 C ATOM 223 C TYR A 389 10.598 -11.716 11.582 1.00 23.86 C ATOM 224 O TYR A 389 10.897 -11.876 10.397 1.00 26.35 O ATOM 225 CB TYR A 389 8.781 -13.339 12.051 1.00 23.24 C ATOM 226 CG TYR A 389 7.308 -13.586 12.265 1.00 26.24 C ATOM 227 CD1 TYR A 389 6.439 -13.708 11.183 1.00 29.99 C ATOM 228 CD2 TYR A 389 6.769 -13.647 13.548 1.00 27.09 C ATOM 229 CE1 TYR A 389 5.071 -13.885 11.372 1.00 33.74 C ATOM 230 CE2 TYR A 389 5.400 -13.815 13.749 1.00 27.94 C ATOM 231 CZ TYR A 389 4.558 -13.954 12.657 1.00 40.89 C ATOM 232 OH TYR A 389 3.211 -14.163 12.830 1.00 45.27 O ATOM 233 HH TYR A 389 2.773 -14.237 11.945 1.00 0.00 H ATOM 234 H TYR A 389 8.552 -11.302 10.005 1.00 0.00 H ATOM 235 N TYR A 390 11.484 -11.416 12.527 1.00 19.09 N ATOM 236 CA TYR A 390 12.915 -11.318 12.239 1.00 19.32 C ATOM 237 C TYR A 390 13.684 -12.318 13.094 1.00 22.77 C ATOM 238 O TYR A 390 13.518 -12.346 14.319 1.00 21.03 O ATOM 239 CB TYR A 390 13.448 -9.887 12.421 1.00 19.41 C ATOM 240 CG TYR A 390 14.806 -9.699 11.759 1.00 21.11 C ATOM 241 CD1 TYR A 390 15.977 -9.719 12.509 1.00 23.26 C ATOM 242 CD2 TYR A 390 14.918 -9.560 10.378 1.00 21.49 C ATOM 243 CE1 TYR A 390 17.227 -9.562 11.910 1.00 24.10 C ATOM 244 CE2 TYR A 390 16.166 -9.445 9.762 1.00 21.83 C ATOM 245 CZ TYR A 390 17.317 -9.436 10.536 1.00 27.26 C ATOM 246 OH TYR A 390 18.552 -9.293 9.954 1.00 26.52 O ATOM 247 HH TYR A 390 19.250 -9.309 10.656 1.00 0.00 H ATOM 248 H TYR A 390 11.151 -11.246 13.497 1.00 0.00 H ATOM 249 N GLN A 391 14.514 -13.148 12.444 1.00 22.11 N ATOM 250 CA GLN A 391 15.317 -14.172 13.122 1.00 23.64 C ATOM 251 C GLN A 391 16.507 -13.460 13.805 1.00 33.11 C ATOM 252 O GLN A 391 17.419 -12.975 13.117 1.00 32.72 O ATOM 253 CB GLN A 391 15.805 -15.221 12.096 1.00 25.61 C ATOM 254 CG GLN A 391 16.699 -16.355 12.658 1.00 32.17 C ATOM 255 CD GLN A 391 16.069 -17.090 13.821 1.00 43.53 C ATOM 256 OE1 GLN A 391 15.087 -17.821 13.673 1.00 36.61 O ATOM 257 NE2 GLN A 391 16.591 -16.858 15.012 1.00 31.97 N ATOM 258 HE22 GLN A 391 17.420 -16.237 15.104 1.00 0.00 H ATOM 259 HE21 GLN A 391 16.173 -17.297 15.857 1.00 0.00 H ATOM 260 H GLN A 391 14.592 -13.061 11.411 1.00 0.00 H ATOM 261 N MET A 392 16.489 -13.375 15.149 1.00 31.91 N ATOM 262 CA MET A 392 17.593 -12.747 15.893 1.00 32.89 C ATOM 263 C MET A 392 18.698 -13.809 16.090 1.00 38.37 C ATOM 264 O MET A 392 18.620 -14.881 15.480 1.00 36.90 O ATOM 265 CB MET A 392 17.118 -12.141 17.240 1.00 34.77 C ATOM 266 CG MET A 392 15.990 -11.132 17.125 1.00 38.36 C ATOM 267 SD MET A 392 16.405 -9.584 16.254 1.00 42.98 S ATOM 268 CE MET A 392 16.486 -8.443 17.609 1.00 39.48 C ATOM 269 H MET A 392 15.678 -13.761 15.672 1.00 0.00 H ATOM 270 N LYS A 393 19.719 -13.537 16.938 1.00 38.19 N ATOM 271 CA LYS A 393 20.796 -14.515 17.190 1.00 39.93 C ATOM 272 C LYS A 393 20.261 -15.899 17.596 1.00 43.01 C ATOM 273 O LYS A 393 20.838 -16.913 17.202 1.00 43.68 O ATOM 274 CB LYS A 393 21.795 -13.985 18.232 1.00 43.48 C ATOM 275 H LYS A 393 19.745 -12.617 17.423 1.00 0.00 H ATOM 276 N LYS A 394 19.122 -15.937 18.340 1.00 37.37 N ATOM 277 CA LYS A 394 18.500 -17.175 18.788 1.00 36.52 C ATOM 278 C LYS A 394 16.956 -17.108 18.716 1.00 35.44 C ATOM 279 O LYS A 394 16.315 -17.926 18.063 1.00 34.12 O ATOM 280 CB LYS A 394 18.947 -17.457 20.229 1.00 38.99 C ATOM 281 CG LYS A 394 18.510 -18.796 20.774 1.00 37.23 C ATOM 282 CD LYS A 394 19.105 -18.962 22.137 1.00 32.08 C ATOM 283 CE LYS A 394 18.715 -20.269 22.712 1.00 26.63 C ATOM 284 NZ LYS A 394 19.692 -20.738 23.740 1.00 27.80 N ATOM 285 HZ1 LYS A 394 20.630 -20.840 23.303 1.00 0.00 H ATOM 286 HZ2 LYS A 394 19.741 -20.043 24.512 1.00 0.00 H ATOM 287 HZ3 LYS A 394 19.382 -21.656 24.118 1.00 0.00 H ATOM 288 H LYS A 394 18.673 -15.036 18.602 1.00 0.00 H ATOM 289 N VAL A 395 16.373 -16.149 19.404 1.00 30.63 N ATOM 290 CA VAL A 395 14.910 -16.027 19.413 1.00 28.61 C ATOM 291 C VAL A 395 14.427 -15.424 18.096 1.00 28.37 C ATOM 292 O VAL A 395 15.236 -14.875 17.342 1.00 28.46 O ATOM 293 CB VAL A 395 14.424 -15.216 20.635 1.00 31.21 C ATOM 294 CG1 VAL A 395 14.885 -15.868 21.935 1.00 31.78 C ATOM 295 CG2 VAL A 395 14.860 -13.743 20.557 1.00 30.21 C ATOM 296 H VAL A 395 16.952 -15.474 19.944 1.00 0.00 H ATOM 297 N VAL A 396 13.131 -15.581 17.794 1.00 21.01 N ATOM 298 CA VAL A 396 12.496 -14.895 16.667 1.00 19.49 C ATOM 299 C VAL A 396 11.794 -13.684 17.294 1.00 19.37 C ATOM 300 O VAL A 396 11.202 -13.791 18.362 1.00 18.14 O ATOM 301 CB VAL A 396 11.546 -15.843 15.890 1.00 25.30 C ATOM 302 CG1 VAL A 396 10.407 -15.099 15.202 1.00 26.04 C ATOM 303 CG2 VAL A 396 12.329 -16.682 14.886 1.00 26.95 C ATOM 304 H VAL A 396 12.554 -16.215 18.383 1.00 0.00 H ATOM 305 N LYS A 397 11.923 -12.515 16.656 1.00 15.76 N ATOM 306 CA LYS A 397 11.311 -11.295 17.154 1.00 14.72 C ATOM 307 C LYS A 397 10.211 -10.833 16.211 1.00 16.24 C ATOM 308 O LYS A 397 10.417 -10.724 15.002 1.00 15.43 O ATOM 309 CB LYS A 397 12.369 -10.183 17.354 1.00 17.42 C ATOM 310 CG LYS A 397 11.823 -9.033 18.222 1.00 22.49 C ATOM 311 CD LYS A 397 12.882 -8.039 18.661 1.00 29.02 C ATOM 312 CE LYS A 397 12.262 -6.814 19.284 1.00 27.31 C ATOM 313 NZ LYS A 397 11.788 -7.049 20.677 1.00 26.72 N ATOM 314 HZ1 LYS A 397 11.071 -7.802 20.675 1.00 0.00 H ATOM 315 HZ2 LYS A 397 12.592 -7.335 21.272 1.00 0.00 H ATOM 316 HZ3 LYS A 397 11.372 -6.173 21.053 1.00 0.00 H ATOM 317 H LYS A 397 12.478 -12.479 15.777 1.00 0.00 H ATOM 318 N THR A 398 9.035 -10.578 16.780 1.00 13.68 N ATOM 319 CA THR A 398 7.897 -10.060 16.032 1.00 11.38 C ATOM 320 C THR A 398 8.186 -8.576 15.780 1.00 15.48 C ATOM 321 O THR A 398 8.573 -7.847 16.697 1.00 15.43 O ATOM 322 CB THR A 398 6.617 -10.192 16.844 1.00 15.25 C ATOM 323 OG1 THR A 398 6.486 -11.564 17.266 1.00 17.19 O ATOM 324 CG2 THR A 398 5.399 -9.799 16.042 1.00 18.70 C ATOM 325 HG1 THR A 398 5.657 -11.667 17.797 1.00 0.00 H ATOM 326 H THR A 398 8.924 -10.756 17.799 1.00 0.00 H ATOM 327 N VAL A 399 7.999 -8.137 14.537 1.00 11.31 N ATOM 328 CA VAL A 399 8.303 -6.757 14.195 1.00 9.74 C ATOM 329 C VAL A 399 7.153 -6.092 13.471 1.00 13.29 C ATOM 330 O VAL A 399 6.286 -6.771 12.922 1.00 12.21 O ATOM 331 CB VAL A 399 9.596 -6.720 13.319 1.00 12.87 C ATOM 332 CG1 VAL A 399 10.830 -7.139 14.131 1.00 13.74 C ATOM 333 CG2 VAL A 399 9.462 -7.550 12.035 1.00 13.27 C ATOM 334 H VAL A 399 7.634 -8.783 13.808 1.00 0.00 H ATOM 335 N ALA A 400 7.187 -4.766 13.431 1.00 10.40 N ATOM 336 CA ALA A 400 6.266 -3.965 12.641 1.00 10.23 C ATOM 337 C ALA A 400 7.171 -3.309 11.619 1.00 13.38 C ATOM 338 O ALA A 400 8.211 -2.767 11.985 1.00 12.47 O ATOM 339 CB ALA A 400 5.596 -2.905 13.496 1.00 10.27 C ATOM 340 H ALA A 400 7.910 -4.274 13.994 1.00 0.00 H ATOM 341 N VAL A 401 6.800 -3.373 10.337 1.00 10.55 N ATOM 342 CA VAL A 401 7.683 -2.876 9.290 1.00 9.99 C ATOM 343 C VAL A 401 7.002 -1.781 8.460 1.00 13.51 C ATOM 344 O VAL A 401 5.916 -2.008 7.921 1.00 13.62 O ATOM 345 CB VAL A 401 8.118 -4.068 8.391 1.00 12.91 C ATOM 346 CG1 VAL A 401 9.111 -3.616 7.311 1.00 12.24 C ATOM 347 CG2 VAL A 401 8.713 -5.216 9.231 1.00 13.14 C ATOM 348 H VAL A 401 5.876 -3.780 10.085 1.00 0.00 H ATOM 349 N LYS A 402 7.649 -0.615 8.359 1.00 10.11 N ATOM 350 CA LYS A 402 7.184 0.479 7.515 1.00 10.99 C ATOM 351 C LYS A 402 7.770 0.196 6.145 1.00 15.00 C ATOM 352 O LYS A 402 8.993 0.034 5.994 1.00 15.18 O ATOM 353 CB LYS A 402 7.650 1.843 8.050 1.00 11.71 C ATOM 354 CG LYS A 402 6.719 2.355 9.119 1.00 15.06 C ATOM 355 CD LYS A 402 7.059 3.814 9.433 1.00 19.87 C ATOM 356 CE LYS A 402 6.187 4.329 10.543 1.00 20.33 C ATOM 357 NZ LYS A 402 6.543 5.741 10.829 1.00 21.07 N ATOM 358 HZ1 LYS A 402 7.541 5.794 11.116 1.00 0.00 H ATOM 359 HZ2 LYS A 402 6.395 6.314 9.974 1.00 0.00 H ATOM 360 HZ3 LYS A 402 5.941 6.100 11.597 1.00 0.00 H ATOM 361 H LYS A 402 8.523 -0.483 8.907 1.00 0.00 H ATOM 362 N ILE A 403 6.895 0.039 5.141 1.00 14.63 N ATOM 363 CA ILE A 403 7.332 -0.279 3.785 1.00 15.59 C ATOM 364 C ILE A 403 7.001 0.893 2.884 1.00 22.14 C ATOM 365 O ILE A 403 5.841 1.289 2.807 1.00 22.36 O ATOM 366 CB ILE A 403 6.664 -1.592 3.283 1.00 20.40 C ATOM 367 CG1 ILE A 403 6.903 -2.751 4.302 1.00 20.12 C ATOM 368 CG2 ILE A 403 7.175 -1.965 1.865 1.00 22.72 C ATOM 369 CD1 ILE A 403 6.003 -3.936 4.167 1.00 26.42 C ATOM 370 H ILE A 403 5.879 0.147 5.333 1.00 0.00 H ATOM 371 N LEU A 404 8.014 1.433 2.201 1.00 20.37 N ATOM 372 CA LEU A 404 7.818 2.594 1.335 1.00 22.49 C ATOM 373 C LEU A 404 7.006 2.276 0.098 1.00 27.21 C ATOM 374 O LEU A 404 7.202 1.222 -0.500 1.00 27.84 O ATOM 375 CB LEU A 404 9.149 3.221 0.940 1.00 23.61 C ATOM 376 CG LEU A 404 9.897 3.996 2.006 1.00 30.43 C ATOM 377 CD1 LEU A 404 11.034 4.762 1.370 1.00 34.64 C ATOM 378 CD2 LEU A 404 8.970 4.972 2.797 1.00 30.88 C ATOM 379 H LEU A 404 8.964 1.018 2.287 1.00 0.00 H ATOM 380 N LYS A 405 6.082 3.192 -0.279 1.00 25.76 N ATOM 381 CA LYS A 405 5.214 3.059 -1.466 1.00 38.34 C ATOM 382 C LYS A 405 5.995 2.852 -2.767 1.00 79.58 C ATOM 383 O LYS A 405 7.079 3.404 -2.935 1.00 45.52 O ATOM 384 CB LYS A 405 4.286 4.275 -1.609 1.00 40.54 C ATOM 385 H LYS A 405 5.977 4.045 0.306 1.00 0.00 H TER 386 LYS A 405 ATOM 387 N PRO A 411 12.451 9.267 -4.417 1.00 46.82 N ATOM 388 CA PRO A 411 13.460 10.247 -3.995 1.00 46.03 C ATOM 389 C PRO A 411 13.202 10.796 -2.585 1.00 46.32 C ATOM 390 O PRO A 411 13.895 10.393 -1.640 1.00 44.17 O ATOM 391 CB PRO A 411 13.399 11.324 -5.096 1.00 49.15 C ATOM 392 CG PRO A 411 12.072 11.107 -5.807 1.00 54.40 C ATOM 393 CD PRO A 411 11.393 9.890 -5.232 1.00 49.32 C ATOM 394 HN2 PRO A 411 12.019 8.842 -3.572 1.00 0.00 H ATOM 395 HN1 PRO A 411 12.916 8.525 -4.978 1.00 0.00 H ATOM 396 N ALA A 412 12.181 11.676 -2.439 1.00 40.97 N ATOM 397 CA ALA A 412 11.791 12.321 -1.187 1.00 39.17 C ATOM 398 C ALA A 412 11.398 11.330 -0.093 1.00 40.20 C ATOM 399 O ALA A 412 11.921 11.447 1.013 1.00 37.99 O ATOM 400 CB ALA A 412 10.674 13.324 -1.430 1.00 40.03 C ATOM 401 H ALA A 412 11.629 11.912 -3.289 1.00 0.00 H ATOM 402 N LEU A 413 10.533 10.331 -0.404 1.00 35.74 N ATOM 403 CA LEU A 413 10.113 9.314 0.571 1.00 34.11 C ATOM 404 C LEU A 413 11.271 8.474 1.099 1.00 34.09 C ATOM 405 O LEU A 413 11.310 8.203 2.296 1.00 32.28 O ATOM 406 CB LEU A 413 8.984 8.409 0.032 1.00 35.03 C ATOM 407 CG LEU A 413 7.579 9.025 -0.083 1.00 40.17 C ATOM 408 CD1 LEU A 413 6.603 8.025 -0.672 1.00 41.03 C ATOM 409 CD2 LEU A 413 7.059 9.529 1.271 1.00 41.10 C ATOM 410 H LEU A 413 10.152 10.283 -1.371 1.00 0.00 H ATOM 411 N LYS A 414 12.226 8.091 0.221 1.00 29.89 N ATOM 412 CA LYS A 414 13.401 7.292 0.591 1.00 28.95 C ATOM 413 C LYS A 414 14.306 8.069 1.541 1.00 29.87 C ATOM 414 O LYS A 414 14.683 7.557 2.595 1.00 27.34 O ATOM 415 CB LYS A 414 14.161 6.831 -0.664 1.00 31.47 C ATOM 416 CG LYS A 414 15.511 6.182 -0.382 1.00 43.42 C ATOM 417 CD LYS A 414 16.370 6.100 -1.638 1.00 56.78 C ATOM 418 CE LYS A 414 17.805 5.744 -1.329 1.00 70.70 C ATOM 419 NZ LYS A 414 18.598 6.935 -0.925 1.00 82.49 N ATOM 420 HZ1 LYS A 414 18.594 7.631 -1.698 1.00 0.00 H ATOM 421 HZ2 LYS A 414 18.177 7.358 -0.074 1.00 0.00 H ATOM 422 HZ3 LYS A 414 19.576 6.646 -0.722 1.00 0.00 H ATOM 423 H LYS A 414 12.122 8.379 -0.773 1.00 0.00 H ATOM 424 N ASP A 415 14.630 9.324 1.179 1.00 26.17 N ATOM 425 CA ASP A 415 15.469 10.170 2.016 1.00 24.93 C ATOM 426 C ASP A 415 14.809 10.395 3.369 1.00 24.79 C ATOM 427 O ASP A 415 15.500 10.390 4.384 1.00 23.93 O ATOM 428 CB ASP A 415 15.713 11.516 1.321 1.00 27.27 C ATOM 429 CG ASP A 415 16.590 11.430 0.086 1.00 39.27 C ATOM 430 OD1 ASP A 415 17.437 10.509 0.019 1.00 40.45 O ATOM 431 OD2 ASP A 415 16.473 12.324 -0.785 1.00 44.76 O ATOM 432 H ASP A 415 14.272 9.699 0.278 1.00 0.00 H ATOM 433 N GLU A 416 13.475 10.561 3.383 1.00 21.29 N ATOM 434 CA GLU A 416 12.692 10.778 4.592 1.00 19.75 C ATOM 435 C GLU A 416 12.686 9.531 5.486 1.00 22.11 C ATOM 436 O GLU A 416 12.809 9.658 6.707 1.00 19.16 O ATOM 437 CB GLU A 416 11.269 11.219 4.231 1.00 21.84 C ATOM 438 CG GLU A 416 11.196 12.704 3.892 1.00 31.56 C ATOM 439 CD GLU A 416 10.065 13.185 3.002 1.00 54.83 C ATOM 440 OE1 GLU A 416 9.064 12.452 2.832 1.00 46.21 O ATOM 441 OE2 GLU A 416 10.174 14.325 2.492 1.00 53.32 O ATOM 442 H GLU A 416 12.971 10.533 2.474 1.00 0.00 H ATOM 443 N LEU A 417 12.618 8.331 4.878 1.00 20.74 N ATOM 444 CA LEU A 417 12.647 7.105 5.694 1.00 19.42 C ATOM 445 C LEU A 417 14.032 6.890 6.306 1.00 20.18 C ATOM 446 O LEU A 417 14.145 6.511 7.481 1.00 17.97 O ATOM 447 CB LEU A 417 12.192 5.873 4.888 1.00 20.59 C ATOM 448 CG LEU A 417 11.857 4.639 5.748 1.00 25.85 C ATOM 449 CD1 LEU A 417 10.504 4.787 6.441 1.00 26.74 C ATOM 450 CD2 LEU A 417 11.900 3.394 4.926 1.00 28.35 C ATOM 451 H LEU A 417 12.546 8.271 3.842 1.00 0.00 H ATOM 452 N LEU A 418 15.099 7.151 5.514 1.00 17.90 N ATOM 453 CA LEU A 418 16.478 7.038 5.992 1.00 18.97 C ATOM 454 C LEU A 418 16.753 8.048 7.107 1.00 21.12 C ATOM 455 O LEU A 418 17.431 7.703 8.068 1.00 21.48 O ATOM 456 CB LEU A 418 17.502 7.159 4.846 1.00 20.13 C ATOM 457 CG LEU A 418 17.482 5.999 3.833 1.00 26.65 C ATOM 458 CD1 LEU A 418 18.384 6.309 2.644 1.00 27.48 C ATOM 459 CD2 LEU A 418 17.903 4.681 4.470 1.00 29.38 C ATOM 460 H LEU A 418 14.933 7.443 4.530 1.00 0.00 H ATOM 461 N ALA A 419 16.213 9.275 6.998 1.00 19.76 N ATOM 462 CA ALA A 419 16.380 10.285 8.062 1.00 18.51 C ATOM 463 C ALA A 419 15.632 9.838 9.334 1.00 20.08 C ATOM 464 O ALA A 419 16.171 9.974 10.425 1.00 19.59 O ATOM 465 CB ALA A 419 15.868 11.636 7.597 1.00 18.84 C ATOM 466 H ALA A 419 15.667 9.517 6.147 1.00 0.00 H ATOM 467 N GLU A 420 14.427 9.242 9.182 1.00 16.59 N ATOM 468 CA GLU A 420 13.632 8.716 10.309 1.00 14.68 C ATOM 469 C GLU A 420 14.436 7.611 10.996 1.00 18.29 C ATOM 470 O GLU A 420 14.563 7.579 12.230 1.00 16.90 O ATOM 471 CB GLU A 420 12.318 8.155 9.759 1.00 15.64 C ATOM 472 CG GLU A 420 11.381 7.587 10.819 1.00 17.61 C ATOM 473 CD GLU A 420 9.994 7.229 10.320 1.00 23.98 C ATOM 474 OE1 GLU A 420 9.656 7.586 9.171 1.00 22.73 O ATOM 475 OE2 GLU A 420 9.193 6.719 11.136 1.00 25.00 O ATOM 476 H GLU A 420 14.041 9.150 8.221 1.00 0.00 H ATOM 477 N ALA A 421 15.021 6.714 10.175 1.00 15.97 N ATOM 478 CA ALA A 421 15.863 5.632 10.672 1.00 16.11 C ATOM 479 C ALA A 421 17.070 6.207 11.420 1.00 20.50 C ATOM 480 O ALA A 421 17.377 5.736 12.510 1.00 21.20 O ATOM 481 CB ALA A 421 16.327 4.772 9.496 1.00 17.71 C ATOM 482 H ALA A 421 14.866 6.797 9.150 1.00 0.00 H ATOM 483 N ASN A 422 17.707 7.272 10.873 1.00 19.01 N ATOM 484 CA ASN A 422 18.846 7.928 11.509 1.00 19.63 C ATOM 485 C ASN A 422 18.480 8.501 12.895 1.00 22.21 C ATOM 486 O ASN A 422 19.297 8.428 13.816 1.00 24.99 O ATOM 487 CB ASN A 422 19.441 8.992 10.624 1.00 23.69 C ATOM 488 CG ASN A 422 20.715 9.556 11.200 1.00 57.59 C ATOM 489 OD1 ASN A 422 21.744 8.877 11.285 1.00 56.20 O ATOM 490 ND2 ASN A 422 20.641 10.777 11.698 1.00 52.15 N ATOM 491 HD22 ASN A 422 19.760 11.322 11.610 1.00 0.00 H ATOM 492 HD21 ASN A 422 21.464 11.193 12.179 1.00 0.00 H ATOM 493 H ASN A 422 17.369 7.638 9.960 1.00 0.00 H ATOM 494 N VAL A 423 17.259 9.047 13.045 1.00 15.63 N ATOM 495 CA VAL A 423 16.816 9.544 14.356 1.00 14.19 C ATOM 496 C VAL A 423 16.629 8.377 15.323 1.00 15.64 C ATOM 497 O VAL A 423 17.179 8.399 16.425 1.00 15.70 O ATOM 498 CB VAL A 423 15.520 10.394 14.256 1.00 15.86 C ATOM 499 CG1 VAL A 423 14.918 10.656 15.654 1.00 15.15 C ATOM 500 CG2 VAL A 423 15.778 11.700 13.491 1.00 16.45 C ATOM 501 H VAL A 423 16.623 9.118 12.226 1.00 0.00 H ATOM 502 N MET A 424 15.821 7.367 14.928 1.00 13.85 N ATOM 503 CA MET A 424 15.493 6.227 15.791 1.00 12.72 C ATOM 504 C MET A 424 16.718 5.452 16.295 1.00 17.32 C ATOM 505 O MET A 424 16.715 5.000 17.428 1.00 16.86 O ATOM 506 CB MET A 424 14.502 5.285 15.095 1.00 13.98 C ATOM 507 CG MET A 424 13.154 5.940 14.863 1.00 16.87 C ATOM 508 SD MET A 424 11.961 4.720 14.260 1.00 20.92 S ATOM 509 CE MET A 424 11.484 3.923 15.796 1.00 18.60 C ATOM 510 H MET A 424 15.415 7.400 13.971 1.00 0.00 H ATOM 511 N GLN A 425 17.752 5.338 15.463 1.00 17.09 N ATOM 512 CA GLN A 425 19.041 4.696 15.774 1.00 18.19 C ATOM 513 C GLN A 425 19.699 5.353 17.017 1.00 21.49 C ATOM 514 O GLN A 425 20.422 4.689 17.768 1.00 22.32 O ATOM 515 CB GLN A 425 19.963 4.907 14.549 1.00 20.99 C ATOM 516 CG GLN A 425 21.280 4.140 14.549 1.00 43.99 C ATOM 517 CD GLN A 425 22.191 4.663 13.456 1.00 61.42 C ATOM 518 OE1 GLN A 425 21.798 4.818 12.289 1.00 48.39 O ATOM 519 NE2 GLN A 425 23.428 4.967 13.814 1.00 61.35 N ATOM 520 HE22 GLN A 425 23.733 4.828 14.798 1.00 0.00 H ATOM 521 HE21 GLN A 425 24.095 5.345 13.111 1.00 0.00 H ATOM 522 H GLN A 425 17.639 5.738 14.509 1.00 0.00 H ATOM 523 N GLN A 426 19.451 6.663 17.222 1.00 18.43 N ATOM 524 CA GLN A 426 20.060 7.428 18.309 1.00 17.57 C ATOM 525 C GLN A 426 19.286 7.390 19.619 1.00 22.47 C ATOM 526 O GLN A 426 19.788 7.870 20.646 1.00 22.85 O ATOM 527 CB GLN A 426 20.260 8.870 17.849 1.00 18.35 C ATOM 528 CG GLN A 426 21.181 8.950 16.622 1.00 26.45 C ATOM 529 CD GLN A 426 21.489 10.366 16.315 1.00 41.42 C ATOM 530 OE1 GLN A 426 22.202 11.036 17.069 1.00 40.54 O ATOM 531 NE2 GLN A 426 20.920 10.863 15.230 1.00 36.12 N ATOM 532 HE22 GLN A 426 20.328 10.255 14.628 1.00 0.00 H ATOM 533 HE21 GLN A 426 21.064 11.862 14.978 1.00 0.00 H ATOM 534 H GLN A 426 18.797 7.151 16.577 1.00 0.00 H ATOM 535 N LEU A 427 18.064 6.850 19.587 1.00 16.91 N ATOM 536 CA LEU A 427 17.187 6.839 20.747 1.00 15.31 C ATOM 537 C LEU A 427 17.186 5.523 21.455 1.00 19.70 C ATOM 538 O LEU A 427 17.176 4.478 20.818 1.00 21.97 O ATOM 539 CB LEU A 427 15.755 7.218 20.323 1.00 13.73 C ATOM 540 CG LEU A 427 15.659 8.510 19.499 1.00 15.66 C ATOM 541 CD1 LEU A 427 14.217 8.785 19.067 1.00 15.09 C ATOM 542 CD2 LEU A 427 16.272 9.727 20.243 1.00 16.79 C ATOM 543 H LEU A 427 17.728 6.422 18.701 1.00 0.00 H ATOM 544 N ASP A 428 17.224 5.575 22.787 1.00 15.28 N ATOM 545 CA ASP A 428 17.245 4.384 23.614 1.00 15.78 C ATOM 546 C ASP A 428 16.504 4.688 24.912 1.00 18.57 C ATOM 547 O ASP A 428 17.071 5.250 25.841 1.00 18.83 O ATOM 548 CB ASP A 428 18.714 3.967 23.847 1.00 20.19 C ATOM 549 CG ASP A 428 18.924 2.829 24.820 1.00 31.81 C ATOM 550 OD1 ASP A 428 17.983 2.031 25.016 1.00 30.19 O ATOM 551 OD2 ASP A 428 20.048 2.718 25.366 1.00 40.64 O ATOM 552 H ASP A 428 17.239 6.506 23.251 1.00 0.00 H ATOM 553 N ASN A 429 15.199 4.376 24.944 1.00 14.40 N ATOM 554 CA ASN A 429 14.384 4.670 26.120 1.00 13.68 C ATOM 555 C ASN A 429 13.207 3.681 26.178 1.00 14.33 C ATOM 556 O ASN A 429 12.682 3.315 25.109 1.00 15.00 O ATOM 557 CB ASN A 429 13.884 6.128 26.032 1.00 13.87 C ATOM 558 CG ASN A 429 13.002 6.539 27.196 1.00 18.42 C ATOM 559 OD1 ASN A 429 11.790 6.369 27.147 1.00 14.67 O ATOM 560 ND2 ASN A 429 13.609 7.024 28.296 1.00 17.36 N ATOM 561 HD22 ASN A 429 14.640 7.157 28.305 1.00 0.00 H ATOM 562 HD21 ASN A 429 13.046 7.266 29.136 1.00 0.00 H ATOM 563 H ASN A 429 14.761 3.918 24.119 1.00 0.00 H ATOM 564 N PRO A 430 12.753 3.247 27.385 1.00 13.94 N ATOM 565 CA PRO A 430 11.652 2.258 27.442 1.00 12.78 C ATOM 566 C PRO A 430 10.334 2.743 26.856 1.00 15.19 C ATOM 567 O PRO A 430 9.484 1.919 26.511 1.00 15.69 O ATOM 568 CB PRO A 430 11.465 1.993 28.947 1.00 16.39 C ATOM 569 CG PRO A 430 12.752 2.416 29.582 1.00 22.60 C ATOM 570 CD PRO A 430 13.269 3.556 28.739 1.00 18.01 C ATOM 571 N TYR A 431 10.168 4.071 26.716 1.00 11.10 N ATOM 572 CA TYR A 431 8.909 4.644 26.231 1.00 9.95 C ATOM 573 C TYR A 431 8.983 5.164 24.786 1.00 12.34 C ATOM 574 O TYR A 431 8.122 5.929 24.344 1.00 11.41 O ATOM 575 CB TYR A 431 8.397 5.711 27.211 1.00 11.33 C ATOM 576 CG TYR A 431 8.301 5.140 28.607 1.00 11.39 C ATOM 577 CD1 TYR A 431 7.373 4.145 28.909 1.00 11.98 C ATOM 578 CD2 TYR A 431 9.244 5.467 29.576 1.00 13.18 C ATOM 579 CE1 TYR A 431 7.336 3.548 30.175 1.00 14.33 C ATOM 580 CE2 TYR A 431 9.220 4.875 30.836 1.00 14.98 C ATOM 581 CZ TYR A 431 8.266 3.916 31.132 1.00 20.19 C ATOM 582 OH TYR A 431 8.244 3.342 32.389 1.00 22.16 O ATOM 583 HH TYR A 431 8.101 4.046 33.070 1.00 0.00 H ATOM 584 H TYR A 431 10.954 4.708 26.958 1.00 0.00 H ATOM 585 N ILE A 432 10.009 4.702 24.038 1.00 9.16 N ATOM 586 CA ILE A 432 10.181 5.004 22.633 1.00 8.92 C ATOM 587 C ILE A 432 10.322 3.705 21.864 1.00 11.59 C ATOM 588 O ILE A 432 11.128 2.851 22.264 1.00 12.93 O ATOM 589 CB ILE A 432 11.393 5.937 22.392 1.00 12.27 C ATOM 590 CG1 ILE A 432 11.150 7.287 23.123 1.00 13.38 C ATOM 591 CG2 ILE A 432 11.619 6.154 20.880 1.00 13.02 C ATOM 592 CD1 ILE A 432 12.231 8.204 23.005 1.00 18.23 C ATOM 593 H ILE A 432 10.716 4.094 24.499 1.00 0.00 H ATOM 594 N VAL A 433 9.614 3.591 20.744 1.00 9.21 N ATOM 595 CA VAL A 433 9.687 2.361 19.922 1.00 8.76 C ATOM 596 C VAL A 433 11.115 2.174 19.426 1.00 13.64 C ATOM 597 O VAL A 433 11.726 3.115 18.921 1.00 13.65 O ATOM 598 CB VAL A 433 8.703 2.427 18.736 1.00 11.77 C ATOM 599 CG1 VAL A 433 8.998 1.329 17.687 1.00 11.81 C ATOM 600 CG2 VAL A 433 7.259 2.322 19.236 1.00 11.95 C ATOM 601 H VAL A 433 9.001 4.375 20.442 1.00 0.00 H ATOM 602 N ARG A 434 11.628 0.937 19.565 1.00 12.40 N ATOM 603 CA ARG A 434 12.982 0.594 19.153 1.00 11.67 C ATOM 604 C ARG A 434 13.011 0.210 17.673 1.00 15.03 C ATOM 605 O ARG A 434 12.173 -0.580 17.230 1.00 13.96 O ATOM 606 CB ARG A 434 13.497 -0.570 20.020 1.00 15.68 C ATOM 607 CG ARG A 434 14.901 -1.039 19.639 1.00 29.30 C ATOM 608 H ARG A 434 11.032 0.195 19.984 1.00 0.00 H ATOM 609 N MET A 435 13.979 0.752 16.924 1.00 13.35 N ATOM 610 CA MET A 435 14.210 0.357 15.538 1.00 13.18 C ATOM 611 C MET A 435 15.170 -0.857 15.557 1.00 18.01 C ATOM 612 O MET A 435 16.220 -0.802 16.205 1.00 18.79 O ATOM 613 CB MET A 435 14.884 1.489 14.748 1.00 15.44 C ATOM 614 CG MET A 435 15.279 1.039 13.364 1.00 20.27 C ATOM 615 SD MET A 435 15.928 2.385 12.380 1.00 25.87 S ATOM 616 CE MET A 435 17.564 2.400 12.937 1.00 23.99 C ATOM 617 H MET A 435 14.589 1.481 17.345 1.00 0.00 H ATOM 618 N ILE A 436 14.804 -1.948 14.879 1.00 13.55 N ATOM 619 CA ILE A 436 15.685 -3.118 14.732 1.00 13.38 C ATOM 620 C ILE A 436 16.746 -2.807 13.641 1.00 17.35 C ATOM 621 O ILE A 436 17.929 -3.123 13.816 1.00 19.10 O ATOM 622 CB ILE A 436 14.858 -4.383 14.394 1.00 15.56 C ATOM 623 CG1 ILE A 436 13.684 -4.618 15.418 1.00 17.10 C ATOM 624 CG2 ILE A 436 15.751 -5.667 14.276 1.00 16.83 C ATOM 625 CD1 ILE A 436 14.102 -4.711 16.871 1.00 24.26 C ATOM 626 H ILE A 436 13.862 -1.972 14.439 1.00 0.00 H ATOM 627 N GLY A 437 16.318 -2.195 12.544 1.00 15.26 N ATOM 628 CA GLY A 437 17.215 -1.836 11.452 1.00 14.09 C ATOM 629 C GLY A 437 16.446 -1.511 10.203 1.00 17.56 C ATOM 630 O GLY A 437 15.221 -1.368 10.239 1.00 17.25 O ATOM 631 H GLY A 437 15.308 -1.963 12.460 1.00 0.00 H ATOM 632 N ILE A 438 17.176 -1.361 9.098 1.00 14.88 N ATOM 633 CA ILE A 438 16.569 -1.062 7.817 1.00 14.76 C ATOM 634 C ILE A 438 16.949 -2.149 6.832 1.00 18.63 C ATOM 635 O ILE A 438 17.951 -2.857 7.017 1.00 18.67 O ATOM 636 CB ILE A 438 16.985 0.342 7.305 1.00 18.37 C ATOM 637 CG1 ILE A 438 18.528 0.472 7.248 1.00 19.99 C ATOM 638 CG2 ILE A 438 16.365 1.404 8.197 1.00 18.91 C ATOM 639 CD1 ILE A 438 19.029 1.909 6.768 1.00 22.73 C ATOM 640 H ILE A 438 18.209 -1.461 9.157 1.00 0.00 H ATOM 641 N CYS A 439 16.144 -2.296 5.774 1.00 18.13 N ATOM 642 CA CYS A 439 16.417 -3.307 4.760 1.00 21.23 C ATOM 643 C CYS A 439 16.034 -2.756 3.390 1.00 23.36 C ATOM 644 O CYS A 439 14.968 -2.153 3.271 1.00 22.25 O ATOM 645 CB CYS A 439 15.657 -4.596 5.085 1.00 23.14 C ATOM 646 SG CYS A 439 16.130 -6.016 4.058 1.00 29.45 S ATOM 647 H CYS A 439 15.312 -1.680 5.673 1.00 0.00 H ATOM 648 N GLU A 440 16.906 -2.928 2.375 1.00 19.83 N ATOM 649 CA GLU A 440 16.610 -2.507 1.004 1.00 20.31 C ATOM 650 C GLU A 440 16.351 -3.766 0.187 1.00 27.51 C ATOM 651 O GLU A 440 17.283 -4.507 -0.146 1.00 28.52 O ATOM 652 CB GLU A 440 17.719 -1.647 0.357 1.00 22.52 C ATOM 653 CG GLU A 440 17.272 -1.061 -0.988 1.00 29.52 C ATOM 654 CD GLU A 440 18.281 -0.282 -1.817 1.00 51.02 C ATOM 655 OE1 GLU A 440 17.890 0.227 -2.894 1.00 43.16 O ATOM 656 OE2 GLU A 440 19.465 -0.207 -1.417 1.00 39.66 O ATOM 657 H GLU A 440 17.823 -3.377 2.574 1.00 0.00 H ATOM 658 N ALA A 441 15.084 -4.025 -0.110 1.00 25.47 N ATOM 659 CA ALA A 441 14.731 -5.197 -0.900 1.00 27.30 C ATOM 660 C ALA A 441 13.706 -4.803 -1.964 1.00 33.68 C ATOM 661 O ALA A 441 14.030 -3.925 -2.764 1.00 33.02 O ATOM 662 CB ALA A 441 14.230 -6.317 -0.005 1.00 28.44 C ATOM 663 H ALA A 441 14.336 -3.385 0.224 1.00 0.00 H ATOM 664 N GLU A 442 12.483 -5.400 -1.980 1.00 33.60 N ATOM 665 CA GLU A 442 11.439 -5.052 -2.967 1.00 35.33 C ATOM 666 C GLU A 442 11.185 -3.552 -2.900 1.00 36.90 C ATOM 667 O GLU A 442 10.901 -2.936 -3.922 1.00 37.18 O ATOM 668 CB GLU A 442 10.114 -5.803 -2.742 1.00 37.51 C ATOM 669 CG GLU A 442 10.214 -7.289 -2.469 1.00 47.84 C ATOM 670 CD GLU A 442 10.251 -7.580 -0.985 1.00 60.96 C ATOM 671 OE1 GLU A 442 9.169 -7.677 -0.362 1.00 63.93 O ATOM 672 OE2 GLU A 442 11.370 -7.630 -0.431 1.00 34.89 O ATOM 673 H GLU A 442 12.275 -6.130 -1.269 1.00 0.00 H ATOM 674 N SER A 443 11.305 -2.973 -1.679 1.00 30.03 N ATOM 675 CA SER A 443 11.223 -1.543 -1.366 1.00 28.33 C ATOM 676 C SER A 443 12.097 -1.282 -0.111 1.00 27.18 C ATOM 677 O SER A 443 12.582 -2.250 0.479 1.00 24.67 O ATOM 678 CB SER A 443 9.780 -1.142 -1.065 1.00 33.08 C ATOM 679 OG SER A 443 9.691 0.273 -1.026 1.00 43.71 O ATOM 680 HG SER A 443 8.757 0.539 -0.831 1.00 0.00 H ATOM 681 H SER A 443 11.474 -3.614 -0.877 1.00 0.00 H ATOM 682 N TRP A 444 12.322 0.001 0.279 1.00 24.24 N ATOM 683 CA TRP A 444 13.073 0.320 1.510 1.00 23.42 C ATOM 684 C TRP A 444 12.138 0.018 2.674 1.00 22.97 C ATOM 685 O TRP A 444 10.950 0.326 2.602 1.00 20.61 O ATOM 686 CB TRP A 444 13.522 1.798 1.577 1.00 23.56 C ATOM 687 CG TRP A 444 14.880 2.047 0.983 1.00 26.17 C ATOM 688 CD1 TRP A 444 15.153 2.572 -0.243 1.00 30.38 C ATOM 689 CD2 TRP A 444 16.149 1.766 1.593 1.00 25.98 C ATOM 690 NE1 TRP A 444 16.511 2.598 -0.456 1.00 30.84 N ATOM 691 CE2 TRP A 444 17.149 2.138 0.667 1.00 31.37 C ATOM 692 CE3 TRP A 444 16.537 1.230 2.830 1.00 26.92 C ATOM 693 CZ2 TRP A 444 18.516 1.983 0.936 1.00 30.95 C ATOM 694 CZ3 TRP A 444 17.891 1.064 3.092 1.00 28.84 C ATOM 695 CH2 TRP A 444 18.864 1.459 2.162 1.00 29.95 C ATOM 696 HE1 TRP A 444 16.979 2.916 -1.329 1.00 0.00 H ATOM 697 H TRP A 444 11.955 0.779 -0.306 1.00 0.00 H ATOM 698 N MET A 445 12.666 -0.609 3.732 1.00 16.64 N ATOM 699 CA MET A 445 11.850 -0.980 4.870 1.00 14.91 C ATOM 700 C MET A 445 12.514 -0.560 6.169 1.00 17.16 C ATOM 701 O MET A 445 13.723 -0.721 6.320 1.00 17.21 O ATOM 702 CB MET A 445 11.649 -2.501 4.912 1.00 17.52 C ATOM 703 CG MET A 445 10.958 -3.089 3.679 1.00 21.40 C ATOM 704 SD MET A 445 10.954 -4.886 3.819 1.00 26.36 S ATOM 705 CE MET A 445 12.477 -5.220 3.135 1.00 26.00 C ATOM 706 H MET A 445 13.681 -0.834 3.737 1.00 0.00 H ATOM 707 N LEU A 446 11.709 -0.052 7.101 1.00 11.64 N ATOM 708 CA LEU A 446 12.184 0.334 8.426 1.00 11.06 C ATOM 709 C LEU A 446 11.513 -0.656 9.385 1.00 13.79 C ATOM 710 O LEU A 446 10.302 -0.663 9.515 1.00 11.69 O ATOM 711 CB LEU A 446 11.792 1.792 8.741 1.00 11.74 C ATOM 712 CG LEU A 446 12.478 2.429 9.933 1.00 15.30 C ATOM 713 CD1 LEU A 446 12.479 3.935 9.801 1.00 13.54 C ATOM 714 CD2 LEU A 446 11.817 2.046 11.225 1.00 16.38 C ATOM 715 H LEU A 446 10.702 0.075 6.875 1.00 0.00 H ATOM 716 N VAL A 447 12.324 -1.518 10.009 1.00 10.71 N ATOM 717 CA VAL A 447 11.851 -2.590 10.884 1.00 10.69 C ATOM 718 C VAL A 447 11.935 -2.178 12.321 1.00 12.49 C ATOM 719 O VAL A 447 13.008 -1.804 12.789 1.00 12.75 O ATOM 720 CB VAL A 447 12.705 -3.861 10.612 1.00 12.72 C ATOM 721 CG1 VAL A 447 12.251 -5.037 11.492 1.00 12.86 C ATOM 722 CG2 VAL A 447 12.658 -4.249 9.124 1.00 12.49 C ATOM 723 H VAL A 447 13.349 -1.420 9.863 1.00 0.00 H ATOM 724 N MET A 448 10.818 -2.280 13.034 1.00 11.10 N ATOM 725 CA MET A 448 10.709 -1.867 14.432 1.00 10.04 C ATOM 726 C MET A 448 10.216 -2.987 15.292 1.00 11.30 C ATOM 727 O MET A 448 9.549 -3.889 14.794 1.00 11.48 O ATOM 728 CB MET A 448 9.654 -0.754 14.539 1.00 11.44 C ATOM 729 CG MET A 448 10.084 0.515 13.850 1.00 14.03 C ATOM 730 SD MET A 448 8.684 1.664 13.731 1.00 17.69 S ATOM 731 CE MET A 448 7.703 0.860 12.392 1.00 17.36 C ATOM 732 H MET A 448 9.975 -2.676 12.572 1.00 0.00 H ATOM 733 N GLU A 449 10.413 -2.884 16.619 1.00 11.07 N ATOM 734 CA GLU A 449 9.767 -3.855 17.496 1.00 12.34 C ATOM 735 C GLU A 449 8.249 -3.638 17.340 1.00 14.98 C ATOM 736 O GLU A 449 7.791 -2.501 17.091 1.00 14.46 O ATOM 737 CB GLU A 449 10.168 -3.626 18.967 1.00 13.99 C ATOM 738 CG GLU A 449 9.743 -2.292 19.533 1.00 24.20 C ATOM 739 CD GLU A 449 10.221 -2.050 20.949 1.00 38.26 C ATOM 740 OE1 GLU A 449 10.669 -3.003 21.629 1.00 48.59 O ATOM 741 OE2 GLU A 449 10.243 -0.866 21.333 1.00 17.72 O ATOM 742 H GLU A 449 11.012 -2.130 17.011 1.00 0.00 H ATOM 743 N MET A 450 7.486 -4.714 17.419 1.00 11.75 N ATOM 744 CA MET A 450 6.032 -4.622 17.249 1.00 10.18 C ATOM 745 C MET A 450 5.347 -4.155 18.539 1.00 14.03 C ATOM 746 O MET A 450 5.606 -4.720 19.605 1.00 15.43 O ATOM 747 CB MET A 450 5.501 -6.018 16.822 1.00 13.11 C ATOM 748 CG MET A 450 4.009 -6.176 16.962 1.00 15.48 C ATOM 749 SD MET A 450 3.062 -5.088 15.879 1.00 16.93 S ATOM 750 CE MET A 450 3.299 -5.885 14.333 1.00 16.66 C ATOM 751 H MET A 450 7.923 -5.639 17.604 1.00 0.00 H ATOM 752 N ALA A 451 4.431 -3.187 18.434 1.00 10.54 N ATOM 753 CA ALA A 451 3.592 -2.787 19.577 1.00 10.60 C ATOM 754 C ALA A 451 2.253 -3.433 19.241 1.00 13.03 C ATOM 755 O ALA A 451 1.491 -2.952 18.390 1.00 12.08 O ATOM 756 CB ALA A 451 3.471 -1.275 19.611 1.00 11.27 C ATOM 757 H ALA A 451 4.307 -2.704 17.521 1.00 0.00 H ATOM 758 N GLU A 452 2.007 -4.620 19.829 1.00 11.96 N ATOM 759 CA GLU A 452 0.886 -5.479 19.463 1.00 13.69 C ATOM 760 C GLU A 452 -0.496 -4.869 19.514 1.00 14.88 C ATOM 761 O GLU A 452 -1.355 -5.299 18.718 1.00 15.78 O ATOM 762 CB GLU A 452 0.886 -6.748 20.308 1.00 14.75 C ATOM 763 CG GLU A 452 2.131 -7.598 20.066 1.00 16.44 C ATOM 764 CD GLU A 452 2.124 -8.492 18.839 1.00 22.14 C ATOM 765 OE1 GLU A 452 3.099 -9.249 18.652 1.00 22.76 O ATOM 766 OE2 GLU A 452 1.156 -8.424 18.056 1.00 22.67 O ATOM 767 H GLU A 452 2.649 -4.940 20.582 1.00 0.00 H ATOM 768 N LEU A 453 -0.743 -3.917 20.448 1.00 11.63 N ATOM 769 CA LEU A 453 -2.099 -3.367 20.580 1.00 12.92 C ATOM 770 C LEU A 453 -2.374 -2.173 19.652 1.00 15.70 C ATOM 771 O LEU A 453 -3.523 -1.762 19.532 1.00 15.07 O ATOM 772 CB LEU A 453 -2.447 -3.039 22.041 1.00 14.19 C ATOM 773 CG LEU A 453 -2.955 -4.200 22.889 1.00 21.02 C ATOM 774 CD1 LEU A 453 -1.992 -5.335 22.942 1.00 22.55 C ATOM 775 CD2 LEU A 453 -3.247 -3.748 24.283 1.00 22.32 C ATOM 776 H LEU A 453 0.022 -3.579 21.066 1.00 0.00 H ATOM 777 N GLY A 454 -1.348 -1.703 18.938 1.00 12.45 N ATOM 778 CA GLY A 454 -1.530 -0.667 17.932 1.00 11.94 C ATOM 779 C GLY A 454 -1.696 0.747 18.455 1.00 12.24 C ATOM 780 O GLY A 454 -1.458 1.017 19.635 1.00 10.36 O ATOM 781 H GLY A 454 -0.396 -2.087 19.105 1.00 0.00 H ATOM 782 N PRO A 455 -2.090 1.665 17.551 1.00 10.59 N ATOM 783 CA PRO A 455 -2.215 3.099 17.930 1.00 9.99 C ATOM 784 C PRO A 455 -3.211 3.354 19.049 1.00 12.71 C ATOM 785 O PRO A 455 -4.281 2.726 19.106 1.00 12.69 O ATOM 786 CB PRO A 455 -2.659 3.776 16.626 1.00 11.08 C ATOM 787 CG PRO A 455 -2.151 2.852 15.533 1.00 14.56 C ATOM 788 CD PRO A 455 -2.331 1.466 16.104 1.00 12.31 C ATOM 789 N LEU A 456 -2.848 4.298 19.932 1.00 9.24 N ATOM 790 CA LEU A 456 -3.636 4.604 21.121 1.00 9.35 C ATOM 791 C LEU A 456 -5.040 5.154 20.784 1.00 13.59 C ATOM 792 O LEU A 456 -6.010 4.816 21.471 1.00 12.26 O ATOM 793 CB LEU A 456 -2.837 5.644 21.968 1.00 8.65 C ATOM 794 CG LEU A 456 -3.567 6.165 23.224 1.00 11.51 C ATOM 795 CD1 LEU A 456 -3.723 5.063 24.282 1.00 13.47 C ATOM 796 CD2 LEU A 456 -2.824 7.391 23.807 1.00 11.10 C ATOM 797 H LEU A 456 -1.972 4.831 19.762 1.00 0.00 H ATOM 798 N ASN A 457 -5.155 5.996 19.741 1.00 10.96 N ATOM 799 CA ASN A 457 -6.474 6.584 19.409 1.00 10.99 C ATOM 800 C ASN A 457 -7.457 5.494 18.996 1.00 14.69 C ATOM 801 O ASN A 457 -8.549 5.439 19.551 1.00 14.87 O ATOM 802 CB ASN A 457 -6.373 7.677 18.352 1.00 12.01 C ATOM 803 CG ASN A 457 -5.833 7.259 17.017 1.00 17.62 C ATOM 804 OD1 ASN A 457 -4.994 6.360 16.894 1.00 14.70 O ATOM 805 ND2 ASN A 457 -6.284 7.936 15.975 1.00 17.78 N ATOM 806 HD22 ASN A 457 -6.990 8.687 16.109 1.00 0.00 H ATOM 807 HD21 ASN A 457 -5.933 7.717 15.021 1.00 0.00 H ATOM 808 H ASN A 457 -4.320 6.234 19.169 1.00 0.00 H ATOM 809 N LYS A 458 -7.018 4.572 18.114 1.00 11.73 N ATOM 810 CA LYS A 458 -7.849 3.457 17.656 1.00 11.74 C ATOM 811 C LYS A 458 -8.189 2.530 18.829 1.00 15.36 C ATOM 812 O LYS A 458 -9.346 2.098 18.966 1.00 16.66 O ATOM 813 CB LYS A 458 -7.126 2.686 16.540 1.00 15.63 C ATOM 814 CG LYS A 458 -6.784 3.505 15.294 1.00 26.13 C ATOM 815 CD LYS A 458 -8.010 3.985 14.518 1.00 39.06 C ATOM 816 H LYS A 458 -6.050 4.657 17.744 1.00 0.00 H ATOM 817 N TYR A 459 -7.193 2.252 19.703 1.00 12.26 N ATOM 818 CA TYR A 459 -7.413 1.388 20.857 1.00 12.22 C ATOM 819 C TYR A 459 -8.507 1.952 21.774 1.00 14.50 C ATOM 820 O TYR A 459 -9.414 1.213 22.180 1.00 15.06 O ATOM 821 CB TYR A 459 -6.115 1.171 21.672 1.00 11.89 C ATOM 822 CG TYR A 459 -6.304 0.136 22.761 1.00 14.45 C ATOM 823 CD1 TYR A 459 -6.157 -1.218 22.490 1.00 18.20 C ATOM 824 CD2 TYR A 459 -6.667 0.510 24.055 1.00 15.92 C ATOM 825 CE1 TYR A 459 -6.393 -2.181 23.465 1.00 20.61 C ATOM 826 CE2 TYR A 459 -6.869 -0.448 25.055 1.00 16.85 C ATOM 827 CZ TYR A 459 -6.711 -1.792 24.754 1.00 24.83 C ATOM 828 OH TYR A 459 -6.903 -2.768 25.704 1.00 29.04 O ATOM 829 HH TYR A 459 -6.744 -3.657 25.299 1.00 0.00 H ATOM 830 H TYR A 459 -6.251 2.664 19.548 1.00 0.00 H ATOM 831 N LEU A 460 -8.424 3.251 22.105 1.00 11.73 N ATOM 832 CA LEU A 460 -9.414 3.828 23.017 1.00 11.53 C ATOM 833 C LEU A 460 -10.788 3.946 22.375 1.00 16.91 C ATOM 834 O LEU A 460 -11.779 3.826 23.094 1.00 17.85 O ATOM 835 CB LEU A 460 -8.928 5.185 23.539 1.00 10.62 C ATOM 836 CG LEU A 460 -7.669 5.155 24.429 1.00 12.98 C ATOM 837 CD1 LEU A 460 -7.166 6.593 24.677 1.00 13.11 C ATOM 838 CD2 LEU A 460 -7.929 4.436 25.786 1.00 14.62 C ATOM 839 H LEU A 460 -7.662 3.843 21.716 1.00 0.00 H ATOM 840 N GLN A 461 -10.862 4.163 21.042 1.00 13.55 N ATOM 841 CA GLN A 461 -12.164 4.204 20.343 1.00 15.01 C ATOM 842 C GLN A 461 -12.881 2.858 20.527 1.00 19.70 C ATOM 843 O GLN A 461 -14.110 2.821 20.665 1.00 20.24 O ATOM 844 CB GLN A 461 -11.966 4.424 18.835 1.00 15.97 C ATOM 845 CG GLN A 461 -11.594 5.862 18.459 1.00 19.95 C ATOM 846 CD GLN A 461 -10.988 5.937 17.066 1.00 31.42 C ATOM 847 OE1 GLN A 461 -11.068 4.989 16.259 1.00 27.31 O ATOM 848 NE2 GLN A 461 -10.392 7.080 16.740 1.00 24.91 N ATOM 849 HE22 GLN A 461 -10.339 7.855 17.432 1.00 0.00 H ATOM 850 HE21 GLN A 461 -9.979 7.199 15.793 1.00 0.00 H ATOM 851 H GLN A 461 -9.986 4.304 20.499 1.00 0.00 H ATOM 852 N GLN A 462 -12.102 1.759 20.512 1.00 16.49 N ATOM 853 CA GLN A 462 -12.598 0.373 20.615 1.00 17.11 C ATOM 854 C GLN A 462 -12.746 -0.154 22.052 1.00 22.01 C ATOM 855 O GLN A 462 -13.327 -1.227 22.246 1.00 23.35 O ATOM 856 CB GLN A 462 -11.641 -0.553 19.824 1.00 19.53 C ATOM 857 CG GLN A 462 -11.654 -0.321 18.305 1.00 29.18 C ATOM 858 CD GLN A 462 -12.998 -0.643 17.675 1.00 60.16 C ATOM 859 OE1 GLN A 462 -13.626 -1.672 17.960 1.00 56.28 O ATOM 860 NE2 GLN A 462 -13.487 0.254 16.828 1.00 56.68 N ATOM 861 HE22 GLN A 462 -12.941 1.110 16.605 1.00 0.00 H ATOM 862 HE21 GLN A 462 -14.417 0.101 16.388 1.00 0.00 H ATOM 863 H GLN A 462 -11.075 1.898 20.421 1.00 0.00 H ATOM 864 N ASN A 463 -12.193 0.552 23.049 1.00 18.02 N ATOM 865 CA ASN A 463 -12.171 0.110 24.438 1.00 18.25 C ATOM 866 C ASN A 463 -12.547 1.261 25.347 1.00 23.40 C ATOM 867 O ASN A 463 -11.696 1.860 26.028 1.00 21.41 O ATOM 868 CB ASN A 463 -10.787 -0.431 24.787 1.00 14.47 C ATOM 869 CG ASN A 463 -10.435 -1.692 24.046 1.00 24.82 C ATOM 870 OD1 ASN A 463 -10.831 -2.787 24.442 1.00 23.42 O ATOM 871 ND2 ASN A 463 -9.800 -1.563 22.889 1.00 16.12 N ATOM 872 HD22 ASN A 463 -9.475 -0.626 22.576 1.00 0.00 H ATOM 873 HD21 ASN A 463 -9.627 -2.399 22.295 1.00 0.00 H ATOM 874 H ASN A 463 -11.755 1.467 22.818 1.00 0.00 H ATOM 875 N ARG A 464 -13.835 1.601 25.333 1.00 22.13 N ATOM 876 CA ARG A 464 -14.348 2.750 26.108 1.00 23.48 C ATOM 877 C ARG A 464 -14.380 2.517 27.622 1.00 29.05 C ATOM 878 O ARG A 464 -14.638 3.458 28.367 1.00 30.94 O ATOM 879 CB ARG A 464 -15.736 3.183 25.584 1.00 25.80 C ATOM 880 CG ARG A 464 -15.768 3.504 24.085 1.00 32.22 C ATOM 881 CD ARG A 464 -15.089 4.821 23.745 1.00 41.56 C ATOM 882 H ARG A 464 -14.499 1.042 24.760 1.00 0.00 H ATOM 883 N HIS A 465 -14.129 1.290 28.070 1.00 27.86 N ATOM 884 CA HIS A 465 -14.116 0.936 29.492 1.00 28.86 C ATOM 885 C HIS A 465 -12.760 1.197 30.163 1.00 27.41 C ATOM 886 O HIS A 465 -12.639 1.026 31.376 1.00 27.10 O ATOM 887 CB HIS A 465 -14.584 -0.516 29.711 1.00 31.00 C ATOM 888 H HIS A 465 -13.932 0.542 27.374 1.00 0.00 H ATOM 889 N VAL A 466 -11.743 1.627 29.390 1.00 20.04 N ATOM 890 CA VAL A 466 -10.415 1.933 29.951 1.00 17.92 C ATOM 891 C VAL A 466 -10.609 3.045 30.984 1.00 18.33 C ATOM 892 O VAL A 466 -11.317 4.015 30.699 1.00 19.62 O ATOM 893 CB VAL A 466 -9.401 2.307 28.836 1.00 19.86 C ATOM 894 CG1 VAL A 466 -8.094 2.837 29.434 1.00 18.66 C ATOM 895 CG2 VAL A 466 -9.118 1.080 27.950 1.00 19.85 C ATOM 896 H VAL A 466 -11.900 1.746 28.369 1.00 0.00 H ATOM 897 N THR A 467 -10.077 2.861 32.198 1.00 15.48 N ATOM 898 CA THR A 467 -10.334 3.821 33.285 1.00 15.66 C ATOM 899 C THR A 467 -9.522 5.094 33.176 1.00 17.55 C ATOM 900 O THR A 467 -8.464 5.096 32.527 1.00 16.21 O ATOM 901 CB THR A 467 -10.037 3.217 34.657 1.00 19.11 C ATOM 902 OG1 THR A 467 -8.640 2.909 34.724 1.00 19.47 O ATOM 903 CG2 THR A 467 -10.901 1.974 34.970 1.00 19.97 C ATOM 904 HG1 THR A 467 -8.432 2.516 35.609 1.00 0.00 H ATOM 905 H THR A 467 -9.476 2.031 32.376 1.00 0.00 H ATOM 906 N ASP A 468 -9.965 6.148 33.926 1.00 16.49 N ATOM 907 CA ASP A 468 -9.190 7.404 33.977 1.00 16.54 C ATOM 908 C ASP A 468 -7.766 7.148 34.532 1.00 18.80 C ATOM 909 O ASP A 468 -6.782 7.669 33.981 1.00 16.64 O ATOM 910 CB ASP A 468 -9.929 8.481 34.801 1.00 19.22 C ATOM 911 CG ASP A 468 -10.469 8.075 36.172 1.00 30.75 C ATOM 912 OD1 ASP A 468 -10.154 6.950 36.638 1.00 30.29 O ATOM 913 OD2 ASP A 468 -11.230 8.874 36.769 1.00 37.67 O ATOM 914 H ASP A 468 -10.852 6.065 34.463 1.00 0.00 H ATOM 915 N LYS A 469 -7.650 6.275 35.549 1.00 17.12 N ATOM 916 CA LYS A 469 -6.358 5.918 36.135 1.00 15.56 C ATOM 917 C LYS A 469 -5.450 5.286 35.072 1.00 16.92 C ATOM 918 O LYS A 469 -4.284 5.668 34.944 1.00 15.34 O ATOM 919 CB LYS A 469 -6.545 4.970 37.322 1.00 17.94 C ATOM 920 CG LYS A 469 -5.231 4.511 37.972 1.00 22.92 C ATOM 921 CD LYS A 469 -5.510 3.438 39.040 1.00 29.63 C ATOM 922 CE LYS A 469 -4.258 2.860 39.654 1.00 45.18 C ATOM 923 NZ LYS A 469 -3.507 2.002 38.694 1.00 58.59 N ATOM 924 HZ1 LYS A 469 -4.112 1.213 38.389 1.00 0.00 H ATOM 925 HZ2 LYS A 469 -3.231 2.569 37.867 1.00 0.00 H ATOM 926 HZ3 LYS A 469 -2.656 1.627 39.159 1.00 0.00 H ATOM 927 H LYS A 469 -8.512 5.837 35.933 1.00 0.00 H ATOM 928 N ASN A 470 -6.015 4.373 34.248 1.00 13.63 N ATOM 929 CA ASN A 470 -5.245 3.731 33.171 1.00 12.35 C ATOM 930 C ASN A 470 -4.812 4.752 32.100 1.00 13.55 C ATOM 931 O ASN A 470 -3.701 4.657 31.562 1.00 12.83 O ATOM 932 CB ASN A 470 -6.098 2.631 32.551 1.00 13.61 C ATOM 933 CG ASN A 470 -5.347 1.636 31.693 1.00 21.42 C ATOM 934 OD1 ASN A 470 -4.198 1.838 31.232 1.00 19.05 O ATOM 935 ND2 ASN A 470 -6.021 0.547 31.421 1.00 14.79 N ATOM 936 HD22 ASN A 470 -6.972 0.411 31.820 1.00 0.00 H ATOM 937 HD21 ASN A 470 -5.606 -0.182 30.806 1.00 0.00 H ATOM 938 H ASN A 470 -7.015 4.120 34.379 1.00 0.00 H ATOM 939 N ILE A 471 -5.681 5.744 31.788 1.00 9.94 N ATOM 940 CA ILE A 471 -5.294 6.770 30.806 1.00 9.29 C ATOM 941 C ILE A 471 -4.148 7.622 31.366 1.00 10.88 C ATOM 942 O ILE A 471 -3.204 7.940 30.637 1.00 10.81 O ATOM 943 CB ILE A 471 -6.515 7.614 30.374 1.00 12.54 C ATOM 944 CG1 ILE A 471 -7.539 6.680 29.676 1.00 13.39 C ATOM 945 CG2 ILE A 471 -6.047 8.751 29.416 1.00 13.69 C ATOM 946 CD1 ILE A 471 -8.890 7.329 29.365 1.00 16.64 C ATOM 947 H ILE A 471 -6.617 5.780 32.240 1.00 0.00 H ATOM 948 N ILE A 472 -4.240 7.997 32.657 1.00 9.98 N ATOM 949 CA ILE A 472 -3.178 8.804 33.294 1.00 9.41 C ATOM 950 C ILE A 472 -1.867 8.026 33.220 1.00 12.28 C ATOM 951 O ILE A 472 -0.846 8.618 32.901 1.00 12.31 O ATOM 952 CB ILE A 472 -3.549 9.149 34.757 1.00 11.66 C ATOM 953 CG1 ILE A 472 -4.820 10.029 34.784 1.00 11.61 C ATOM 954 CG2 ILE A 472 -2.372 9.863 35.479 1.00 13.63 C ATOM 955 CD1 ILE A 472 -5.524 10.048 36.188 1.00 15.15 C ATOM 956 H ILE A 472 -5.071 7.714 33.214 1.00 0.00 H ATOM 957 N GLU A 473 -1.888 6.709 33.530 1.00 10.70 N ATOM 958 CA GLU A 473 -0.683 5.877 33.457 1.00 10.94 C ATOM 959 C GLU A 473 -0.031 5.978 32.066 1.00 12.20 C ATOM 960 O GLU A 473 1.166 6.220 31.946 1.00 12.16 O ATOM 961 CB GLU A 473 -1.089 4.425 33.721 1.00 12.62 C ATOM 962 CG GLU A 473 0.045 3.420 33.594 1.00 17.34 C ATOM 963 CD GLU A 473 -0.446 1.999 33.804 1.00 24.08 C ATOM 964 OE1 GLU A 473 -1.632 1.725 33.515 1.00 19.66 O ATOM 965 OE2 GLU A 473 0.348 1.164 34.283 1.00 23.27 O ATOM 966 H GLU A 473 -2.785 6.275 33.829 1.00 0.00 H ATOM 967 N LEU A 474 -0.838 5.806 31.012 1.00 11.21 N ATOM 968 CA LEU A 474 -0.329 5.824 29.637 1.00 9.09 C ATOM 969 C LEU A 474 0.206 7.202 29.233 1.00 11.37 C ATOM 970 O LEU A 474 1.280 7.279 28.630 1.00 11.03 O ATOM 971 CB LEU A 474 -1.437 5.363 28.671 1.00 9.14 C ATOM 972 CG LEU A 474 -1.903 3.905 28.854 1.00 11.96 C ATOM 973 CD1 LEU A 474 -3.113 3.614 27.960 1.00 13.32 C ATOM 974 CD2 LEU A 474 -0.765 2.908 28.525 1.00 13.12 C ATOM 975 H LEU A 474 -1.854 5.655 31.173 1.00 0.00 H ATOM 976 N VAL A 475 -0.524 8.274 29.495 1.00 8.95 N ATOM 977 CA VAL A 475 0.012 9.583 29.115 1.00 7.88 C ATOM 978 C VAL A 475 1.254 9.993 29.930 1.00 9.56 C ATOM 979 O VAL A 475 2.058 10.668 29.443 1.00 9.64 O ATOM 980 CB VAL A 475 -1.025 10.708 29.001 1.00 12.11 C ATOM 981 CG1 VAL A 475 -2.108 10.374 28.014 1.00 12.46 C ATOM 982 CG2 VAL A 475 -1.596 11.053 30.337 1.00 13.30 C ATOM 983 H VAL A 475 -1.452 8.190 29.957 1.00 0.00 H ATOM 984 N HIS A 476 1.319 9.538 31.180 1.00 8.85 N ATOM 985 CA HIS A 476 2.518 9.720 31.960 1.00 9.40 C ATOM 986 C HIS A 476 3.729 9.017 31.288 1.00 13.54 C ATOM 987 O HIS A 476 4.786 9.567 31.187 1.00 12.19 O ATOM 988 CB HIS A 476 2.346 9.219 33.408 1.00 11.21 C ATOM 989 CG HIS A 476 3.590 9.313 34.190 1.00 14.62 C ATOM 990 ND1 HIS A 476 4.122 8.256 34.872 1.00 17.88 N ATOM 991 CD2 HIS A 476 4.456 10.328 34.327 1.00 17.35 C ATOM 992 CE1 HIS A 476 5.255 8.633 35.425 1.00 18.21 C ATOM 993 NE2 HIS A 476 5.471 9.890 35.127 1.00 18.15 N ATOM 994 H HIS A 476 0.501 9.049 31.596 1.00 0.00 H ATOM 995 N GLN A 477 3.501 7.815 30.794 1.00 9.50 N ATOM 996 CA GLN A 477 4.563 7.109 30.086 1.00 9.67 C ATOM 997 C GLN A 477 5.003 7.939 28.868 1.00 10.35 C ATOM 998 O GLN A 477 6.120 8.089 28.666 1.00 10.91 O ATOM 999 CB GLN A 477 4.134 5.698 29.683 1.00 10.78 C ATOM 1000 CG GLN A 477 4.012 4.790 30.884 1.00 12.53 C ATOM 1001 CD GLN A 477 3.288 3.517 30.572 1.00 16.98 C ATOM 1002 OE1 GLN A 477 2.712 3.369 29.583 1.00 13.55 O ATOM 1003 NE2 GLN A 477 3.347 2.601 31.493 1.00 16.11 N ATOM 1004 HE22 GLN A 477 3.878 2.778 32.369 1.00 0.00 H ATOM 1005 HE21 GLN A 477 2.863 1.691 31.353 1.00 0.00 H ATOM 1006 H GLN A 477 2.567 7.372 30.909 1.00 0.00 H ATOM 1007 N VAL A 478 4.061 8.472 28.112 1.00 8.22 N ATOM 1008 CA VAL A 478 4.403 9.306 26.952 1.00 7.16 C ATOM 1009 C VAL A 478 5.252 10.511 27.448 1.00 9.86 C ATOM 1010 O VAL A 478 6.260 10.853 26.811 1.00 8.95 O ATOM 1011 CB VAL A 478 3.126 9.749 26.186 1.00 9.67 C ATOM 1012 CG1 VAL A 478 3.454 10.773 25.085 1.00 9.81 C ATOM 1013 CG2 VAL A 478 2.406 8.539 25.581 1.00 9.37 C ATOM 1014 H VAL A 478 3.061 8.299 28.341 1.00 0.00 H ATOM 1015 N SER A 479 4.873 11.122 28.601 1.00 8.94 N ATOM 1016 CA SER A 479 5.643 12.267 29.131 1.00 8.34 C ATOM 1017 C SER A 479 7.055 11.876 29.513 1.00 12.68 C ATOM 1018 O SER A 479 7.970 12.691 29.354 1.00 13.01 O ATOM 1019 CB SER A 479 4.933 12.954 30.296 1.00 11.24 C ATOM 1020 OG SER A 479 5.020 12.242 31.519 1.00 12.80 O ATOM 1021 HG SER A 479 4.609 11.348 31.409 1.00 0.00 H ATOM 1022 H SER A 479 4.035 10.782 29.114 1.00 0.00 H ATOM 1023 N MET A 480 7.251 10.629 29.987 1.00 10.30 N ATOM 1024 CA MET A 480 8.619 10.152 30.325 1.00 9.95 C ATOM 1025 C MET A 480 9.444 9.991 29.044 1.00 13.78 C ATOM 1026 O MET A 480 10.617 10.387 29.007 1.00 14.84 O ATOM 1027 CB MET A 480 8.577 8.846 31.130 1.00 12.22 C ATOM 1028 CG MET A 480 8.044 9.049 32.526 1.00 14.48 C ATOM 1029 SD MET A 480 8.211 7.574 33.559 1.00 18.86 S ATOM 1030 CE MET A 480 6.887 6.595 32.961 1.00 16.77 C ATOM 1031 H MET A 480 6.438 9.994 30.118 1.00 0.00 H ATOM 1032 N GLY A 481 8.835 9.441 28.000 1.00 10.74 N ATOM 1033 CA GLY A 481 9.514 9.326 26.710 1.00 9.01 C ATOM 1034 C GLY A 481 9.877 10.704 26.160 1.00 12.04 C ATOM 1035 O GLY A 481 10.977 10.921 25.622 1.00 11.92 O ATOM 1036 H GLY A 481 7.862 9.087 28.101 1.00 0.00 H ATOM 1037 N MET A 482 8.948 11.658 26.280 1.00 10.14 N ATOM 1038 CA MET A 482 9.176 13.024 25.770 1.00 8.83 C ATOM 1039 C MET A 482 10.220 13.774 26.583 1.00 11.90 C ATOM 1040 O MET A 482 10.999 14.537 26.001 1.00 11.31 O ATOM 1041 CB MET A 482 7.873 13.818 25.673 1.00 9.98 C ATOM 1042 CG MET A 482 6.933 13.313 24.550 1.00 10.23 C ATOM 1043 SD MET A 482 7.737 13.184 22.903 1.00 11.54 S ATOM 1044 CE MET A 482 8.233 14.896 22.618 1.00 9.36 C ATOM 1045 H MET A 482 8.045 11.432 26.743 1.00 0.00 H ATOM 1046 N LYS A 483 10.236 13.575 27.925 1.00 10.30 N ATOM 1047 CA LYS A 483 11.279 14.140 28.803 1.00 10.13 C ATOM 1048 C LYS A 483 12.669 13.680 28.273 1.00 14.58 C ATOM 1049 O LYS A 483 13.612 14.482 28.168 1.00 14.41 O ATOM 1050 CB LYS A 483 11.071 13.664 30.249 1.00 12.74 C ATOM 1051 CG LYS A 483 12.113 14.230 31.226 1.00 15.53 C ATOM 1052 CD LYS A 483 11.828 13.825 32.667 1.00 17.54 C ATOM 1053 CE LYS A 483 12.898 14.346 33.599 1.00 24.63 C ATOM 1054 NZ LYS A 483 12.657 13.889 34.993 1.00 35.40 N ATOM 1055 HZ1 LYS A 483 11.732 14.239 35.316 1.00 0.00 H ATOM 1056 HZ2 LYS A 483 12.665 12.849 35.022 1.00 0.00 H ATOM 1057 HZ3 LYS A 483 13.405 14.260 35.612 1.00 0.00 H ATOM 1058 H LYS A 483 9.482 13.000 28.353 1.00 0.00 H ATOM 1059 N TYR A 484 12.782 12.385 27.951 1.00 12.04 N ATOM 1060 CA TYR A 484 14.001 11.826 27.394 1.00 12.43 C ATOM 1061 C TYR A 484 14.318 12.450 26.034 1.00 12.88 C ATOM 1062 O TYR A 484 15.489 12.791 25.796 1.00 12.61 O ATOM 1063 CB TYR A 484 13.879 10.303 27.292 1.00 13.45 C ATOM 1064 CG TYR A 484 14.972 9.715 26.430 1.00 14.29 C ATOM 1065 CD1 TYR A 484 16.221 9.418 26.962 1.00 18.09 C ATOM 1066 CD2 TYR A 484 14.765 9.485 25.077 1.00 12.80 C ATOM 1067 CE1 TYR A 484 17.246 8.910 26.157 1.00 18.50 C ATOM 1068 CE2 TYR A 484 15.775 8.971 24.265 1.00 13.81 C ATOM 1069 CZ TYR A 484 17.006 8.673 24.815 1.00 17.78 C ATOM 1070 OH TYR A 484 17.979 8.142 24.005 1.00 20.32 O ATOM 1071 HH TYR A 484 18.799 7.983 24.537 1.00 0.00 H ATOM 1072 H TYR A 484 11.967 11.757 28.105 1.00 0.00 H ATOM 1073 N LEU A 485 13.302 12.616 25.141 1.00 10.52 N ATOM 1074 CA LEU A 485 13.569 13.213 23.835 1.00 10.35 C ATOM 1075 C LEU A 485 14.088 14.651 23.987 1.00 14.57 C ATOM 1076 O LEU A 485 15.033 15.045 23.290 1.00 14.94 O ATOM 1077 CB LEU A 485 12.305 13.169 22.976 1.00 9.96 C ATOM 1078 CG LEU A 485 12.515 13.188 21.479 1.00 12.19 C ATOM 1079 CD1 LEU A 485 13.212 11.910 20.989 1.00 12.66 C ATOM 1080 CD2 LEU A 485 11.182 13.345 20.757 1.00 12.25 C ATOM 1081 H LEU A 485 12.337 12.318 25.389 1.00 0.00 H ATOM 1082 N GLU A 486 13.478 15.417 24.914 1.00 11.07 N ATOM 1083 CA GLU A 486 13.839 16.804 25.199 1.00 10.81 C ATOM 1084 C GLU A 486 15.281 16.848 25.686 1.00 15.76 C ATOM 1085 O GLU A 486 16.079 17.668 25.200 1.00 15.36 O ATOM 1086 CB GLU A 486 12.908 17.341 26.292 1.00 12.35 C ATOM 1087 CG GLU A 486 13.253 18.738 26.770 1.00 16.28 C ATOM 1088 CD GLU A 486 12.180 19.217 27.722 1.00 27.74 C ATOM 1089 OE1 GLU A 486 12.252 18.864 28.921 1.00 29.87 O ATOM 1090 OE2 GLU A 486 11.189 19.803 27.236 1.00 20.90 O ATOM 1091 H GLU A 486 12.701 14.994 25.461 1.00 0.00 H ATOM 1092 N GLU A 487 15.629 15.952 26.635 1.00 14.54 N ATOM 1093 CA GLU A 487 16.996 15.887 27.185 1.00 15.97 C ATOM 1094 C GLU A 487 18.000 15.559 26.055 1.00 18.41 C ATOM 1095 O GLU A 487 19.159 15.998 26.101 1.00 19.03 O ATOM 1096 CB GLU A 487 17.083 14.784 28.236 1.00 18.13 C ATOM 1097 CG GLU A 487 16.445 15.130 29.570 1.00 23.20 C ATOM 1098 CD GLU A 487 16.174 13.940 30.472 1.00 37.32 C ATOM 1099 OE1 GLU A 487 16.338 12.792 30.003 1.00 31.47 O ATOM 1100 OE2 GLU A 487 15.786 14.152 31.643 1.00 36.70 O ATOM 1101 H GLU A 487 14.911 15.288 26.989 1.00 0.00 H ATOM 1102 N SER A 488 17.543 14.765 25.066 1.00 14.49 N ATOM 1103 CA SER A 488 18.315 14.310 23.902 1.00 14.09 C ATOM 1104 C SER A 488 18.381 15.371 22.798 1.00 15.84 C ATOM 1105 O SER A 488 19.136 15.216 21.823 1.00 15.55 O ATOM 1106 CB SER A 488 17.773 12.982 23.368 1.00 17.08 C ATOM 1107 OG SER A 488 17.832 11.968 24.369 1.00 17.76 O ATOM 1108 HG SER A 488 17.288 12.244 25.149 1.00 0.00 H ATOM 1109 H SER A 488 16.555 14.446 25.133 1.00 0.00 H ATOM 1110 N ASN A 489 17.624 16.472 22.958 1.00 14.42 N ATOM 1111 CA ASN A 489 17.605 17.571 21.996 1.00 12.92 C ATOM 1112 C ASN A 489 17.117 17.137 20.614 1.00 14.04 C ATOM 1113 O ASN A 489 17.639 17.583 19.588 1.00 13.64 O ATOM 1114 CB ASN A 489 18.954 18.329 21.950 1.00 16.33 C ATOM 1115 CG ASN A 489 19.202 19.102 23.227 1.00 27.28 C ATOM 1116 OD1 ASN A 489 20.240 18.977 23.871 1.00 29.54 O ATOM 1117 ND2 ASN A 489 18.202 19.817 23.684 1.00 31.75 N ATOM 1118 HD22 ASN A 489 17.331 19.911 23.124 1.00 0.00 H ATOM 1119 HD21 ASN A 489 18.280 20.290 24.607 1.00 0.00 H ATOM 1120 H ASN A 489 17.025 16.544 23.805 1.00 0.00 H ATOM 1121 N PHE A 490 16.051 16.297 20.605 1.00 10.55 N ATOM 1122 CA PHE A 490 15.294 15.962 19.419 1.00 9.69 C ATOM 1123 C PHE A 490 13.917 16.565 19.573 1.00 13.09 C ATOM 1124 O PHE A 490 13.346 16.547 20.673 1.00 14.26 O ATOM 1125 CB PHE A 490 15.135 14.451 19.249 1.00 10.43 C ATOM 1126 CG PHE A 490 16.387 13.781 18.752 1.00 11.39 C ATOM 1127 CD1 PHE A 490 17.351 13.337 19.640 1.00 15.91 C ATOM 1128 CD2 PHE A 490 16.614 13.623 17.389 1.00 14.32 C ATOM 1129 CE1 PHE A 490 18.530 12.738 19.175 1.00 16.93 C ATOM 1130 CE2 PHE A 490 17.793 13.029 16.928 1.00 16.26 C ATOM 1131 CZ PHE A 490 18.741 12.606 17.824 1.00 14.91 C ATOM 1132 H PHE A 490 15.761 15.868 21.507 1.00 0.00 H ATOM 1133 N VAL A 491 13.381 17.090 18.473 1.00 9.26 N ATOM 1134 CA VAL A 491 11.978 17.554 18.409 1.00 8.96 C ATOM 1135 C VAL A 491 11.180 16.519 17.611 1.00 10.05 C ATOM 1136 O VAL A 491 11.650 16.071 16.551 1.00 10.59 O ATOM 1137 CB VAL A 491 11.794 18.995 17.865 1.00 12.02 C ATOM 1138 CG1 VAL A 491 12.382 20.015 18.837 1.00 12.79 C ATOM 1139 CG2 VAL A 491 12.425 19.194 16.475 1.00 12.65 C ATOM 1140 H VAL A 491 13.974 17.178 17.623 1.00 0.00 H ATOM 1141 N HIS A 492 10.022 16.073 18.137 1.00 7.22 N ATOM 1142 CA HIS A 492 9.244 15.019 17.484 1.00 7.16 C ATOM 1143 C HIS A 492 8.477 15.546 16.272 1.00 10.08 C ATOM 1144 O HIS A 492 8.540 14.950 15.172 1.00 9.05 O ATOM 1145 CB HIS A 492 8.272 14.385 18.501 1.00 6.66 C ATOM 1146 CG HIS A 492 7.599 13.171 17.969 1.00 8.14 C ATOM 1147 ND1 HIS A 492 6.554 13.269 17.081 1.00 9.58 N ATOM 1148 CD2 HIS A 492 7.869 11.864 18.185 1.00 8.32 C ATOM 1149 CE1 HIS A 492 6.196 12.019 16.790 1.00 8.70 C ATOM 1150 NE2 HIS A 492 6.951 11.142 17.435 1.00 8.31 N ATOM 1151 H HIS A 492 9.674 16.486 19.026 1.00 0.00 H ATOM 1152 N ARG A 493 7.728 16.667 16.473 1.00 7.72 N ATOM 1153 CA ARG A 493 6.962 17.367 15.417 1.00 7.77 C ATOM 1154 C ARG A 493 5.756 16.590 14.879 1.00 10.34 C ATOM 1155 O ARG A 493 5.115 17.045 13.927 1.00 9.89 O ATOM 1156 CB ARG A 493 7.864 17.843 14.260 1.00 9.44 C ATOM 1157 CG ARG A 493 8.942 18.817 14.718 1.00 12.08 C ATOM 1158 CD ARG A 493 9.759 19.333 13.534 1.00 12.78 C ATOM 1159 NE ARG A 493 8.939 20.119 12.606 1.00 17.64 N ATOM 1160 CZ ARG A 493 8.867 19.914 11.291 1.00 26.61 C ATOM 1161 NH1 ARG A 493 9.515 18.898 10.731 1.00 19.33 N ATOM 1162 NH2 ARG A 493 8.153 20.729 10.525 1.00 18.77 N ATOM 1163 HE ARG A 493 8.371 20.894 13.004 1.00 0.00 H ATOM 1164 HH12 ARG A 493 9.454 18.745 9.704 1.00 0.00 H ATOM 1165 HH11 ARG A 493 10.083 18.256 11.320 1.00 0.00 H ATOM 1166 HH22 ARG A 493 8.100 20.565 9.499 1.00 0.00 H ATOM 1167 HH21 ARG A 493 7.647 21.532 10.950 1.00 0.00 H ATOM 1168 H ARG A 493 7.692 17.058 17.436 1.00 0.00 H ATOM 1169 N ASP A 494 5.380 15.480 15.504 1.00 8.28 N ATOM 1170 CA ASP A 494 4.129 14.809 15.090 1.00 8.82 C ATOM 1171 C ASP A 494 3.559 14.056 16.286 1.00 10.16 C ATOM 1172 O ASP A 494 3.122 12.915 16.183 1.00 9.38 O ATOM 1173 CB ASP A 494 4.352 13.888 13.860 1.00 10.96 C ATOM 1174 CG ASP A 494 3.077 13.575 13.070 1.00 15.82 C ATOM 1175 OD1 ASP A 494 2.001 14.083 13.443 1.00 15.25 O ATOM 1176 OD2 ASP A 494 3.169 12.843 12.075 1.00 15.76 O ATOM 1177 H ASP A 494 5.958 15.088 16.275 1.00 0.00 H ATOM 1178 N LEU A 495 3.561 14.700 17.451 1.00 8.54 N ATOM 1179 CA LEU A 495 3.139 14.016 18.665 1.00 7.04 C ATOM 1180 C LEU A 495 1.645 14.055 18.791 1.00 11.22 C ATOM 1181 O LEU A 495 1.077 15.066 19.166 1.00 15.04 O ATOM 1182 CB LEU A 495 3.831 14.644 19.884 1.00 7.85 C ATOM 1183 CG LEU A 495 3.545 14.010 21.210 1.00 10.61 C ATOM 1184 CD1 LEU A 495 4.013 12.542 21.236 1.00 9.59 C ATOM 1185 CD2 LEU A 495 4.258 14.788 22.314 1.00 13.95 C ATOM 1186 H LEU A 495 3.865 15.694 17.494 1.00 0.00 H ATOM 1187 N ALA A 496 1.004 12.938 18.507 1.00 7.94 N ATOM 1188 CA ALA A 496 -0.449 12.813 18.472 1.00 6.72 C ATOM 1189 C ALA A 496 -0.809 11.415 18.932 1.00 9.11 C ATOM 1190 O ALA A 496 0.031 10.521 18.844 1.00 8.41 O ATOM 1191 CB ALA A 496 -0.942 12.997 17.044 1.00 8.47 C ATOM 1192 H ALA A 496 1.571 12.092 18.294 1.00 0.00 H ATOM 1193 N ALA A 497 -2.049 11.196 19.385 1.00 6.68 N ATOM 1194 CA ALA A 497 -2.428 9.857 19.845 1.00 6.88 C ATOM 1195 C ALA A 497 -2.235 8.742 18.797 1.00 9.37 C ATOM 1196 O ALA A 497 -1.991 7.595 19.189 1.00 11.08 O ATOM 1197 CB ALA A 497 -3.863 9.869 20.376 1.00 8.42 C ATOM 1198 H ALA A 497 -2.741 11.972 19.411 1.00 0.00 H ATOM 1199 N ARG A 498 -2.333 9.055 17.474 1.00 6.77 N ATOM 1200 CA ARG A 498 -2.133 8.045 16.427 1.00 8.10 C ATOM 1201 C ARG A 498 -0.699 7.549 16.411 1.00 10.47 C ATOM 1202 O ARG A 498 -0.430 6.524 15.790 1.00 9.99 O ATOM 1203 CB ARG A 498 -2.497 8.603 15.036 1.00 9.08 C ATOM 1204 CG ARG A 498 -1.719 9.871 14.652 1.00 11.75 C ATOM 1205 CD ARG A 498 -2.000 10.407 13.236 1.00 16.28 C ATOM 1206 NE ARG A 498 -1.245 11.648 13.029 1.00 14.11 N ATOM 1207 CZ ARG A 498 -1.625 12.832 13.502 1.00 20.73 C ATOM 1208 NH1 ARG A 498 -2.792 12.964 14.127 1.00 18.60 N ATOM 1209 NH2 ARG A 498 -0.856 13.897 13.333 1.00 17.02 N ATOM 1210 HE ARG A 498 -0.362 11.599 12.481 1.00 0.00 H ATOM 1211 HH12 ARG A 498 -3.083 13.892 14.494 1.00 0.00 H ATOM 1212 HH11 ARG A 498 -3.413 12.139 14.248 1.00 0.00 H ATOM 1213 HH22 ARG A 498 -1.158 14.820 13.705 1.00 0.00 H ATOM 1214 HH21 ARG A 498 0.049 13.810 12.829 1.00 0.00 H ATOM 1215 H ARG A 498 -2.555 10.033 17.199 1.00 0.00 H ATOM 1216 N ASN A 499 0.221 8.329 17.037 1.00 7.63 N ATOM 1217 CA ASN A 499 1.648 8.033 17.060 1.00 7.35 C ATOM 1218 C ASN A 499 2.141 7.555 18.417 1.00 10.74 C ATOM 1219 O ASN A 499 3.350 7.467 18.642 1.00 11.18 O ATOM 1220 CB ASN A 499 2.424 9.241 16.541 1.00 6.11 C ATOM 1221 CG ASN A 499 2.111 9.513 15.087 1.00 8.29 C ATOM 1222 OD1 ASN A 499 1.642 8.628 14.353 1.00 10.70 O ATOM 1223 ND2 ASN A 499 2.302 10.763 14.636 1.00 9.42 N ATOM 1224 HD22 ASN A 499 2.696 11.489 15.268 1.00 0.00 H ATOM 1225 HD21 ASN A 499 2.056 11.005 13.655 1.00 0.00 H ATOM 1226 H ASN A 499 -0.111 9.184 17.527 1.00 0.00 H ATOM 1227 N VAL A 500 1.204 7.142 19.290 1.00 7.28 N ATOM 1228 CA VAL A 500 1.514 6.492 20.541 1.00 6.75 C ATOM 1229 C VAL A 500 1.049 5.061 20.316 1.00 10.00 C ATOM 1230 O VAL A 500 -0.086 4.853 19.898 1.00 10.25 O ATOM 1231 CB VAL A 500 0.783 7.129 21.731 1.00 9.86 C ATOM 1232 CG1 VAL A 500 1.066 6.317 23.005 1.00 10.48 C ATOM 1233 CG2 VAL A 500 1.253 8.572 21.903 1.00 10.09 C ATOM 1234 H VAL A 500 0.204 7.299 19.051 1.00 0.00 H ATOM 1235 N LEU A 501 1.955 4.100 20.492 1.00 7.90 N ATOM 1236 CA LEU A 501 1.669 2.710 20.168 1.00 8.74 C ATOM 1237 C LEU A 501 1.638 1.911 21.452 1.00 11.65 C ATOM 1238 O LEU A 501 2.507 2.105 22.314 1.00 12.12 O ATOM 1239 CB LEU A 501 2.814 2.231 19.213 1.00 9.05 C ATOM 1240 CG LEU A 501 2.607 2.482 17.681 1.00 13.21 C ATOM 1241 CD1 LEU A 501 1.485 1.576 17.121 1.00 14.97 C ATOM 1242 CD2 LEU A 501 2.214 3.912 17.341 1.00 14.45 C ATOM 1243 H LEU A 501 2.891 4.350 20.871 1.00 0.00 H ATOM 1244 N LEU A 502 0.669 0.983 21.581 1.00 10.50 N ATOM 1245 CA LEU A 502 0.530 0.235 22.812 1.00 11.32 C ATOM 1246 C LEU A 502 1.178 -1.149 22.732 1.00 13.29 C ATOM 1247 O LEU A 502 0.829 -1.933 21.862 1.00 14.70 O ATOM 1248 CB LEU A 502 -0.955 0.062 23.174 1.00 12.06 C ATOM 1249 CG LEU A 502 -1.712 1.366 23.500 1.00 15.49 C ATOM 1250 CD1 LEU A 502 -3.158 1.065 23.874 1.00 16.03 C ATOM 1251 CD2 LEU A 502 -1.070 2.079 24.664 1.00 15.78 C ATOM 1252 H LEU A 502 0.017 0.803 20.791 1.00 0.00 H ATOM 1253 N VAL A 503 2.104 -1.421 23.652 1.00 10.14 N ATOM 1254 CA VAL A 503 2.743 -2.746 23.807 1.00 11.14 C ATOM 1255 C VAL A 503 1.707 -3.624 24.549 1.00 16.07 C ATOM 1256 O VAL A 503 1.495 -4.795 24.195 1.00 15.03 O ATOM 1257 CB VAL A 503 4.080 -2.610 24.578 1.00 15.65 C ATOM 1258 CG1 VAL A 503 4.665 -3.982 24.936 1.00 15.47 C ATOM 1259 CG2 VAL A 503 5.087 -1.823 23.744 1.00 16.26 C ATOM 1260 H VAL A 503 2.393 -0.658 24.297 1.00 0.00 H ATOM 1261 N THR A 504 1.089 -3.062 25.618 1.00 12.03 N ATOM 1262 CA THR A 504 0.001 -3.690 26.365 1.00 11.13 C ATOM 1263 C THR A 504 -0.962 -2.548 26.728 1.00 13.58 C ATOM 1264 O THR A 504 -0.664 -1.365 26.477 1.00 12.52 O ATOM 1265 CB THR A 504 0.465 -4.373 27.678 1.00 18.38 C ATOM 1266 OG1 THR A 504 0.839 -3.381 28.631 1.00 15.27 O ATOM 1267 CG2 THR A 504 1.587 -5.370 27.480 1.00 18.07 C ATOM 1268 HG1 THR A 504 1.134 -3.822 29.467 1.00 0.00 H ATOM 1269 H THR A 504 1.411 -2.122 25.926 1.00 0.00 H ATOM 1270 N GLN A 505 -2.083 -2.892 27.368 1.00 14.02 N ATOM 1271 CA GLN A 505 -3.050 -1.874 27.786 1.00 14.29 C ATOM 1272 C GLN A 505 -2.423 -0.944 28.858 1.00 15.78 C ATOM 1273 O GLN A 505 -2.993 0.111 29.135 1.00 14.64 O ATOM 1274 CB GLN A 505 -4.288 -2.590 28.366 1.00 17.39 C ATOM 1275 CG GLN A 505 -5.511 -1.714 28.586 1.00 25.72 C ATOM 1276 CD GLN A 505 -6.579 -2.460 29.349 1.00 32.59 C ATOM 1277 OE1 GLN A 505 -6.814 -3.665 29.151 1.00 27.37 O ATOM 1278 NE2 GLN A 505 -7.198 -1.794 30.304 1.00 22.91 N ATOM 1279 HE22 GLN A 505 -6.989 -0.787 30.455 1.00 0.00 H ATOM 1280 HE21 GLN A 505 -7.896 -2.276 30.906 1.00 0.00 H ATOM 1281 H GLN A 505 -2.271 -3.894 27.572 1.00 0.00 H ATOM 1282 N HIS A 506 -1.270 -1.339 29.443 1.00 14.48 N ATOM 1283 CA HIS A 506 -0.564 -0.577 30.480 1.00 13.63 C ATOM 1284 C HIS A 506 0.874 -0.161 30.094 1.00 14.68 C ATOM 1285 O HIS A 506 1.697 0.095 30.984 1.00 15.64 O ATOM 1286 CB HIS A 506 -0.537 -1.372 31.794 1.00 15.59 C ATOM 1287 CG HIS A 506 -1.900 -1.691 32.311 1.00 18.67 C ATOM 1288 ND1 HIS A 506 -2.652 -0.742 32.958 1.00 19.98 N ATOM 1289 CD2 HIS A 506 -2.614 -2.837 32.221 1.00 20.92 C ATOM 1290 CE1 HIS A 506 -3.802 -1.334 33.252 1.00 20.61 C ATOM 1291 NE2 HIS A 506 -3.820 -2.596 32.835 1.00 21.09 N ATOM 1292 H HIS A 506 -0.856 -2.243 29.138 1.00 0.00 H ATOM 1293 N TYR A 507 1.192 -0.134 28.785 1.00 11.36 N ATOM 1294 CA TYR A 507 2.540 0.204 28.352 1.00 10.99 C ATOM 1295 C TYR A 507 2.496 0.863 26.995 1.00 13.31 C ATOM 1296 O TYR A 507 2.278 0.199 25.977 1.00 12.75 O ATOM 1297 CB TYR A 507 3.398 -1.082 28.320 1.00 12.60 C ATOM 1298 CG TYR A 507 4.889 -0.913 28.057 1.00 13.22 C ATOM 1299 CD1 TYR A 507 5.476 0.351 27.990 1.00 13.46 C ATOM 1300 CD2 TYR A 507 5.721 -2.022 27.958 1.00 14.51 C ATOM 1301 CE1 TYR A 507 6.847 0.507 27.783 1.00 15.20 C ATOM 1302 CE2 TYR A 507 7.092 -1.882 27.750 1.00 15.84 C ATOM 1303 CZ TYR A 507 7.656 -0.618 27.677 1.00 18.92 C ATOM 1304 OH TYR A 507 9.014 -0.509 27.483 1.00 18.92 O ATOM 1305 HH TYR A 507 9.266 0.448 27.453 1.00 0.00 H ATOM 1306 H TYR A 507 0.465 -0.357 28.075 1.00 0.00 H ATOM 1307 N ALA A 508 2.721 2.187 26.984 1.00 10.99 N ATOM 1308 CA ALA A 508 2.712 2.975 25.767 1.00 10.27 C ATOM 1309 C ALA A 508 4.126 3.337 25.353 1.00 12.07 C ATOM 1310 O ALA A 508 4.995 3.529 26.202 1.00 12.51 O ATOM 1311 CB ALA A 508 1.909 4.258 26.006 1.00 11.21 C ATOM 1312 H ALA A 508 2.910 2.667 27.887 1.00 0.00 H ATOM 1313 N LYS A 509 4.335 3.445 24.041 1.00 9.79 N ATOM 1314 CA LYS A 509 5.607 3.882 23.436 1.00 8.63 C ATOM 1315 C LYS A 509 5.352 4.875 22.328 1.00 11.56 C ATOM 1316 O LYS A 509 4.354 4.774 21.623 1.00 12.69 O ATOM 1317 CB LYS A 509 6.369 2.677 22.841 1.00 10.23 C ATOM 1318 CG LYS A 509 6.929 1.749 23.925 1.00 10.78 C ATOM 1319 CD LYS A 509 7.813 0.706 23.261 1.00 18.41 C ATOM 1320 CE LYS A 509 8.300 -0.240 24.314 1.00 22.65 C ATOM 1321 NZ LYS A 509 9.614 -0.818 24.003 1.00 29.23 N ATOM 1322 HZ1 LYS A 509 9.557 -1.343 23.107 1.00 0.00 H ATOM 1323 HZ2 LYS A 509 10.315 -0.055 23.915 1.00 0.00 H ATOM 1324 HZ3 LYS A 509 9.897 -1.464 24.768 1.00 0.00 H ATOM 1325 H LYS A 509 3.550 3.205 23.402 1.00 0.00 H ATOM 1326 N ILE A 510 6.259 5.840 22.149 1.00 7.69 N ATOM 1327 CA ILE A 510 6.112 6.841 21.079 1.00 7.15 C ATOM 1328 C ILE A 510 6.781 6.323 19.811 1.00 10.63 C ATOM 1329 O ILE A 510 7.879 5.751 19.877 1.00 10.21 O ATOM 1330 CB ILE A 510 6.847 8.128 21.524 1.00 9.67 C ATOM 1331 CG1 ILE A 510 6.250 8.668 22.856 1.00 9.97 C ATOM 1332 CG2 ILE A 510 6.792 9.223 20.428 1.00 11.28 C ATOM 1333 CD1 ILE A 510 7.212 9.635 23.620 1.00 14.77 C ATOM 1334 H ILE A 510 7.086 5.885 22.778 1.00 0.00 H ATOM 1335 N SER A 511 6.105 6.492 18.671 1.00 8.48 N ATOM 1336 CA SER A 511 6.639 6.073 17.372 1.00 8.02 C ATOM 1337 C SER A 511 6.577 7.242 16.390 1.00 10.36 C ATOM 1338 O SER A 511 6.269 8.385 16.779 1.00 9.85 O ATOM 1339 CB SER A 511 5.830 4.888 16.829 1.00 12.56 C ATOM 1340 OG SER A 511 6.577 4.204 15.834 1.00 15.68 O ATOM 1341 HG SER A 511 6.047 3.442 15.490 1.00 0.00 H ATOM 1342 H SER A 511 5.166 6.937 18.707 1.00 0.00 H ATOM 1343 N ASP A 512 6.838 6.952 15.103 1.00 8.90 N ATOM 1344 CA ASP A 512 6.627 7.868 13.977 1.00 8.54 C ATOM 1345 C ASP A 512 7.461 9.124 14.038 1.00 11.27 C ATOM 1346 O ASP A 512 6.963 10.219 14.317 1.00 10.31 O ATOM 1347 CB ASP A 512 5.133 8.176 13.887 1.00 9.34 C ATOM 1348 CG ASP A 512 4.344 6.890 13.682 1.00 14.55 C ATOM 1349 OD1 ASP A 512 4.434 6.319 12.585 1.00 14.77 O ATOM 1350 OD2 ASP A 512 3.686 6.428 14.653 1.00 12.20 O ATOM 1351 H ASP A 512 7.218 6.008 14.890 1.00 0.00 H ATOM 1352 N PHE A 513 8.734 8.929 13.720 1.00 9.39 N ATOM 1353 CA PHE A 513 9.747 9.991 13.773 1.00 8.91 C ATOM 1354 C PHE A 513 10.059 10.586 12.387 1.00 10.39 C ATOM 1355 O PHE A 513 11.093 11.229 12.235 1.00 11.35 O ATOM 1356 CB PHE A 513 11.013 9.405 14.439 1.00 9.41 C ATOM 1357 CG PHE A 513 10.840 9.192 15.934 1.00 9.98 C ATOM 1358 CD1 PHE A 513 11.149 10.208 16.837 1.00 11.91 C ATOM 1359 CD2 PHE A 513 10.364 7.985 16.436 1.00 12.37 C ATOM 1360 CE1 PHE A 513 10.955 10.036 18.211 1.00 12.47 C ATOM 1361 CE2 PHE A 513 10.158 7.818 17.825 1.00 12.35 C ATOM 1362 CZ PHE A 513 10.459 8.848 18.694 1.00 12.21 C ATOM 1363 H PHE A 513 9.029 7.978 13.419 1.00 0.00 H ATOM 1364 N GLY A 514 9.132 10.454 11.428 1.00 10.92 N ATOM 1365 CA GLY A 514 9.319 10.963 10.064 1.00 10.97 C ATOM 1366 C GLY A 514 9.460 12.479 9.963 1.00 14.86 C ATOM 1367 O GLY A 514 10.087 12.975 9.018 1.00 16.38 O ATOM 1368 H GLY A 514 8.241 9.970 11.660 1.00 0.00 H ATOM 1369 N LEU A 515 8.907 13.231 10.934 1.00 10.01 N ATOM 1370 CA LEU A 515 9.059 14.707 10.883 1.00 9.36 C ATOM 1371 C LEU A 515 10.091 15.181 11.944 1.00 12.01 C ATOM 1372 O LEU A 515 10.317 16.389 12.102 1.00 11.01 O ATOM 1373 CB LEU A 515 7.706 15.418 11.111 1.00 10.36 C ATOM 1374 CG LEU A 515 6.627 15.213 10.000 1.00 16.23 C ATOM 1375 CD1 LEU A 515 5.293 15.841 10.404 1.00 17.24 C ATOM 1376 CD2 LEU A 515 7.065 15.848 8.675 1.00 23.15 C ATOM 1377 H LEU A 515 8.380 12.783 11.710 1.00 0.00 H ATOM 1378 N SER A 516 10.704 14.249 12.666 1.00 9.94 N ATOM 1379 CA SER A 516 11.580 14.602 13.770 1.00 9.22 C ATOM 1380 C SER A 516 12.883 15.201 13.340 1.00 12.79 C ATOM 1381 O SER A 516 13.383 14.891 12.250 1.00 12.61 O ATOM 1382 CB SER A 516 11.803 13.407 14.687 1.00 10.94 C ATOM 1383 OG SER A 516 10.543 12.875 15.077 1.00 9.97 O ATOM 1384 HG SER A 516 10.027 13.570 15.556 1.00 0.00 H ATOM 1385 H SER A 516 10.554 13.246 12.436 1.00 0.00 H ATOM 1386 N LYS A 517 13.446 16.048 14.203 1.00 10.48 N ATOM 1387 CA LYS A 517 14.721 16.694 13.875 1.00 10.24 C ATOM 1388 C LYS A 517 15.654 16.715 15.059 1.00 12.83 C ATOM 1389 O LYS A 517 15.210 16.947 16.190 1.00 12.41 O ATOM 1390 CB LYS A 517 14.507 18.157 13.454 1.00 12.11 C ATOM 1391 CG LYS A 517 13.541 18.351 12.288 1.00 13.95 C ATOM 1392 CD LYS A 517 14.173 17.963 10.940 1.00 16.73 C ATOM 1393 CE LYS A 517 13.135 18.011 9.855 1.00 27.82 C ATOM 1394 NZ LYS A 517 13.684 17.517 8.564 1.00 39.64 N ATOM 1395 HZ1 LYS A 517 14.489 18.112 8.281 1.00 0.00 H ATOM 1396 HZ2 LYS A 517 14.001 16.533 8.677 1.00 0.00 H ATOM 1397 HZ3 LYS A 517 12.944 17.562 7.834 1.00 0.00 H ATOM 1398 H LYS A 517 12.980 16.251 15.110 1.00 0.00 H ATOM 1399 N ALA A 518 16.957 16.518 14.783 1.00 10.03 N ATOM 1400 CA ALA A 518 18.007 16.635 15.794 1.00 10.41 C ATOM 1401 C ALA A 518 18.363 18.127 15.833 1.00 12.65 C ATOM 1402 O ALA A 518 18.801 18.688 14.826 1.00 13.65 O ATOM 1403 CB ALA A 518 19.245 15.824 15.358 1.00 11.76 C ATOM 1404 H ALA A 518 17.228 16.272 13.810 1.00 0.00 H ATOM 1405 N LEU A 519 18.136 18.782 16.974 1.00 11.96 N ATOM 1406 CA LEU A 519 18.478 20.209 17.093 1.00 12.21 C ATOM 1407 C LEU A 519 19.976 20.450 16.958 1.00 13.74 C ATOM 1408 O LEU A 519 20.798 19.616 17.365 1.00 13.37 O ATOM 1409 CB LEU A 519 18.007 20.744 18.445 1.00 12.74 C ATOM 1410 CG LEU A 519 16.505 20.675 18.654 1.00 15.82 C ATOM 1411 CD1 LEU A 519 16.156 21.000 20.087 1.00 17.99 C ATOM 1412 CD2 LEU A 519 15.797 21.587 17.698 1.00 17.77 C ATOM 1413 H LEU A 519 17.715 18.282 17.783 1.00 0.00 H ATOM 1414 N ARG A 520 20.351 21.576 16.353 1.00 12.57 N ATOM 1415 CA ARG A 520 21.753 21.959 16.227 1.00 13.36 C ATOM 1416 C ARG A 520 22.323 22.197 17.615 1.00 15.51 C ATOM 1417 O ARG A 520 21.584 22.623 18.505 1.00 14.88 O ATOM 1418 CB ARG A 520 21.879 23.290 15.461 1.00 17.24 C ATOM 1419 CG ARG A 520 21.683 23.177 13.965 1.00 25.54 C ATOM 1420 CD ARG A 520 21.466 24.560 13.373 1.00 28.28 C ATOM 1421 NE ARG A 520 22.550 25.489 13.736 1.00 26.56 N ATOM 1422 CZ ARG A 520 23.353 26.074 12.861 1.00 38.89 C ATOM 1423 NH1 ARG A 520 24.289 26.922 13.273 1.00 29.51 N ATOM 1424 NH2 ARG A 520 23.229 25.819 11.566 1.00 34.40 N ATOM 1425 HE ARG A 520 22.694 25.699 14.744 1.00 0.00 H ATOM 1426 HH12 ARG A 520 24.917 27.379 12.582 1.00 0.00 H ATOM 1427 HH11 ARG A 520 24.393 27.129 14.287 1.00 0.00 H ATOM 1428 HH22 ARG A 520 23.862 26.281 10.882 1.00 0.00 H ATOM 1429 HH21 ARG A 520 22.499 25.157 11.234 1.00 0.00 H ATOM 1430 H ARG A 520 19.621 22.202 15.958 1.00 0.00 H ATOM 1431 N ALA A 521 23.640 22.053 17.782 1.00 14.00 N ATOM 1432 CA ALA A 521 24.250 22.260 19.096 1.00 14.92 C ATOM 1433 C ALA A 521 24.078 23.661 19.654 1.00 20.25 C ATOM 1434 O ALA A 521 24.175 23.855 20.877 1.00 20.22 O ATOM 1435 CB ALA A 521 25.724 21.891 19.062 1.00 16.13 C ATOM 1436 H ALA A 521 24.237 21.792 16.972 1.00 0.00 H ATOM 1437 N ASP A 522 23.841 24.642 18.755 1.00 16.56 N ATOM 1438 CA ASP A 522 23.774 26.051 19.161 1.00 17.44 C ATOM 1439 C ASP A 522 22.359 26.626 19.200 1.00 22.21 C ATOM 1440 O ASP A 522 22.201 27.822 19.484 1.00 24.16 O ATOM 1441 CB ASP A 522 24.644 26.892 18.234 1.00 20.05 C ATOM 1442 CG ASP A 522 24.214 26.938 16.772 1.00 24.29 C ATOM 1443 OD1 ASP A 522 24.741 27.793 16.031 1.00 25.66 O ATOM 1444 OD2 ASP A 522 23.424 26.064 16.350 1.00 24.75 O ATOM 1445 H ASP A 522 23.703 24.393 17.755 1.00 0.00 H ATOM 1446 N GLU A 523 21.342 25.806 18.908 1.00 18.42 N ATOM 1447 CA GLU A 523 19.954 26.271 18.906 1.00 18.39 C ATOM 1448 C GLU A 523 19.022 25.363 19.671 1.00 18.82 C ATOM 1449 O GLU A 523 19.237 24.149 19.710 1.00 15.23 O ATOM 1450 CB GLU A 523 19.442 26.445 17.467 1.00 19.95 C ATOM 1451 CG GLU A 523 20.084 27.590 16.692 1.00 30.92 C ATOM 1452 CD GLU A 523 19.905 29.025 17.168 1.00 51.80 C ATOM 1453 OE1 GLU A 523 18.906 29.323 17.861 1.00 47.40 O ATOM 1454 OE2 GLU A 523 20.748 29.871 16.793 1.00 43.03 O ATOM 1455 H GLU A 523 21.543 24.812 18.676 1.00 0.00 H ATOM 1456 N ASN A 524 17.932 25.946 20.241 1.00 18.29 N ATOM 1457 CA ASN A 524 16.935 25.161 20.953 1.00 19.31 C ATOM 1458 C ASN A 524 15.670 24.982 20.120 1.00 20.90 C ATOM 1459 O ASN A 524 14.660 24.516 20.633 1.00 21.37 O ATOM 1460 CB ASN A 524 16.659 25.726 22.365 1.00 27.64 C ATOM 1461 CG ASN A 524 15.713 26.887 22.422 1.00 49.68 C ATOM 1462 OD1 ASN A 524 15.476 27.577 21.428 1.00 44.52 O ATOM 1463 ND2 ASN A 524 15.151 27.124 23.602 1.00 45.89 N ATOM 1464 HD22 ASN A 524 15.377 26.518 24.417 1.00 0.00 H ATOM 1465 HD21 ASN A 524 14.485 27.915 23.711 1.00 0.00 H ATOM 1466 H ASN A 524 17.809 26.976 20.166 1.00 0.00 H ATOM 1467 N TYR A 525 15.723 25.340 18.831 1.00 14.91 N ATOM 1468 CA TYR A 525 14.585 25.115 17.938 1.00 13.78 C ATOM 1469 C TYR A 525 15.046 24.799 16.521 1.00 16.36 C ATOM 1470 O TYR A 525 16.181 25.144 16.132 1.00 18.05 O ATOM 1471 CB TYR A 525 13.623 26.327 17.934 1.00 14.88 C ATOM 1472 CG TYR A 525 14.253 27.547 17.297 1.00 20.29 C ATOM 1473 CD1 TYR A 525 14.147 27.776 15.925 1.00 22.86 C ATOM 1474 CD2 TYR A 525 15.050 28.411 18.042 1.00 22.80 C ATOM 1475 CE1 TYR A 525 14.775 28.868 15.321 1.00 26.55 C ATOM 1476 CE2 TYR A 525 15.672 29.512 17.451 1.00 25.72 C ATOM 1477 CZ TYR A 525 15.545 29.725 16.088 1.00 34.15 C ATOM 1478 OH TYR A 525 16.149 30.809 15.498 1.00 38.82 O ATOM 1479 HH TYR A 525 15.955 30.805 14.527 1.00 0.00 H ATOM 1480 H TYR A 525 16.586 25.785 18.458 1.00 0.00 H ATOM 1481 N TYR A 526 14.139 24.160 15.754 1.00 13.27 N ATOM 1482 CA TYR A 526 14.293 23.859 14.337 1.00 12.70 C ATOM 1483 C TYR A 526 13.406 24.836 13.562 1.00 16.08 C ATOM 1484 O TYR A 526 12.231 25.009 13.900 1.00 16.14 O ATOM 1485 CB TYR A 526 13.861 22.416 14.044 1.00 12.93 C ATOM 1486 CG TYR A 526 13.657 22.136 12.576 1.00 14.87 C ATOM 1487 CD1 TYR A 526 12.378 22.028 12.038 1.00 16.46 C ATOM 1488 CD2 TYR A 526 14.742 21.912 11.732 1.00 17.62 C ATOM 1489 CE1 TYR A 526 12.187 21.771 10.675 1.00 19.12 C ATOM 1490 CE2 TYR A 526 14.565 21.688 10.367 1.00 19.65 C ATOM 1491 CZ TYR A 526 13.284 21.610 9.844 1.00 26.39 C ATOM 1492 OH TYR A 526 13.121 21.357 8.500 1.00 27.11 O ATOM 1493 HH TYR A 526 12.155 21.332 8.285 1.00 0.00 H ATOM 1494 H TYR A 526 13.256 23.857 16.212 1.00 0.00 H ATOM 1495 N LYS A 527 13.971 25.480 12.518 1.00 15.73 N ATOM 1496 CA LYS A 527 13.225 26.431 11.705 1.00 15.64 C ATOM 1497 C LYS A 527 12.885 25.734 10.387 1.00 21.62 C ATOM 1498 O LYS A 527 13.797 25.372 9.625 1.00 21.95 O ATOM 1499 CB LYS A 527 14.105 27.689 11.471 1.00 20.09 C ATOM 1500 CG LYS A 527 13.551 28.693 10.456 1.00 27.85 C ATOM 1501 CD LYS A 527 12.234 29.346 10.883 1.00 34.45 C ATOM 1502 CE LYS A 527 11.905 30.543 10.008 1.00 42.86 C ATOM 1503 NZ LYS A 527 11.643 30.160 8.590 1.00 50.91 N ATOM 1504 HZ1 LYS A 527 12.487 29.697 8.196 1.00 0.00 H ATOM 1505 HZ2 LYS A 527 10.837 29.504 8.553 1.00 0.00 H ATOM 1506 HZ3 LYS A 527 11.424 31.013 8.037 1.00 0.00 H ATOM 1507 H LYS A 527 14.968 25.292 12.288 1.00 0.00 H ATOM 1508 N ALA A 528 11.593 25.515 10.125 1.00 18.44 N ATOM 1509 CA ALA A 528 11.191 24.891 8.862 1.00 20.06 C ATOM 1510 C ALA A 528 11.271 25.960 7.769 1.00 29.50 C ATOM 1511 O ALA A 528 11.052 27.144 8.041 1.00 27.73 O ATOM 1512 CB ALA A 528 9.787 24.325 8.955 1.00 20.43 C ATOM 1513 H ALA A 528 10.870 25.789 10.821 1.00 0.00 H ATOM 1514 N GLN A 529 11.671 25.553 6.558 1.00 34.22 N ATOM 1515 CA GLN A 529 11.803 26.493 5.445 1.00 37.94 C ATOM 1516 C GLN A 529 10.568 26.377 4.552 1.00 47.45 C ATOM 1517 O GLN A 529 9.997 27.395 4.161 1.00 49.77 O ATOM 1518 CB GLN A 529 13.104 26.259 4.641 1.00 39.81 C ATOM 1519 CG GLN A 529 14.400 26.095 5.466 1.00 55.80 C ATOM 1520 CD GLN A 529 14.806 27.269 6.341 1.00 78.64 C ATOM 1521 OE1 GLN A 529 14.517 28.443 6.062 1.00 76.61 O ATOM 1522 NE2 GLN A 529 15.537 26.973 7.409 1.00 68.42 N ATOM 1523 HE22 GLN A 529 15.767 25.982 7.623 1.00 0.00 H ATOM 1524 HE21 GLN A 529 15.880 27.732 8.031 1.00 0.00 H ATOM 1525 H GLN A 529 11.892 24.548 6.405 1.00 0.00 H ATOM 1526 N THR A 530 10.155 25.128 4.255 1.00 44.68 N ATOM 1527 CA THR A 530 8.986 24.787 3.444 1.00 74.21 C ATOM 1528 C THR A 530 7.762 24.546 4.332 1.00 98.39 C ATOM 1529 O THR A 530 7.865 24.558 5.560 1.00 56.17 O ATOM 1530 CB THR A 530 9.289 23.557 2.587 1.00 82.08 C ATOM 1531 H THR A 530 10.716 24.339 4.635 1.00 0.00 H TER 1532 THR A 530 ATOM 1533 N GLY A 532 4.868 22.652 5.240 1.00 43.57 N ATOM 1534 CA GLY A 532 4.374 21.699 4.252 1.00 43.67 C ATOM 1535 C GLY A 532 3.053 21.078 4.658 1.00 46.70 C ATOM 1536 O GLY A 532 2.177 21.779 5.177 1.00 48.18 O ATOM 1537 HN3 GLY A 532 5.007 22.166 6.149 1.00 0.00 H ATOM 1538 HN2 GLY A 532 4.175 23.418 5.357 1.00 0.00 H ATOM 1539 HN1 GLY A 532 5.773 23.048 4.915 1.00 0.00 H ATOM 1540 N LYS A 533 2.891 19.762 4.413 1.00 40.04 N ATOM 1541 CA LYS A 533 1.677 19.027 4.791 1.00 37.90 C ATOM 1542 C LYS A 533 1.830 18.764 6.292 1.00 33.73 C ATOM 1543 O LYS A 533 2.550 17.849 6.696 1.00 33.31 O ATOM 1544 CB LYS A 533 1.562 17.720 3.989 1.00 41.37 C ATOM 1545 H LYS A 533 3.658 19.246 3.936 1.00 0.00 H ATOM 1546 N TRP A 534 1.245 19.646 7.114 1.00 26.02 N ATOM 1547 CA TRP A 534 1.433 19.590 8.569 1.00 21.82 C ATOM 1548 C TRP A 534 0.207 19.189 9.391 1.00 21.32 C ATOM 1549 O TRP A 534 -0.908 19.594 9.040 1.00 21.66 O ATOM 1550 CB TRP A 534 1.884 20.970 9.068 1.00 20.05 C ATOM 1551 CG TRP A 534 3.312 21.358 8.783 1.00 20.87 C ATOM 1552 CD1 TRP A 534 4.315 20.558 8.314 1.00 24.01 C ATOM 1553 CD2 TRP A 534 3.912 22.628 9.075 1.00 20.24 C ATOM 1554 NE1 TRP A 534 5.489 21.279 8.221 1.00 23.58 N ATOM 1555 CE2 TRP A 534 5.271 22.549 8.692 1.00 24.73 C ATOM 1556 CE3 TRP A 534 3.421 23.843 9.586 1.00 21.37 C ATOM 1557 CZ2 TRP A 534 6.145 23.634 8.815 1.00 23.88 C ATOM 1558 CZ3 TRP A 534 4.295 24.915 9.727 1.00 22.78 C ATOM 1559 CH2 TRP A 534 5.642 24.797 9.363 1.00 23.12 C ATOM 1560 HE1 TRP A 534 6.392 20.918 7.853 1.00 0.00 H ATOM 1561 H TRP A 534 0.641 20.390 6.710 1.00 0.00 H ATOM 1562 N PRO A 535 0.428 18.516 10.554 1.00 16.55 N ATOM 1563 CA PRO A 535 -0.707 18.175 11.450 1.00 15.64 C ATOM 1564 C PRO A 535 -1.061 19.408 12.314 1.00 16.24 C ATOM 1565 O PRO A 535 -0.801 19.431 13.512 1.00 13.66 O ATOM 1566 CB PRO A 535 -0.152 17.010 12.271 1.00 17.39 C ATOM 1567 CG PRO A 535 1.341 17.266 12.342 1.00 21.13 C ATOM 1568 CD PRO A 535 1.714 17.977 11.067 1.00 17.37 C ATOM 1569 N VAL A 536 -1.627 20.449 11.677 1.00 13.90 N ATOM 1570 CA VAL A 536 -1.899 21.781 12.221 1.00 14.93 C ATOM 1571 C VAL A 536 -2.667 21.792 13.557 1.00 13.64 C ATOM 1572 O VAL A 536 -2.370 22.630 14.418 1.00 12.17 O ATOM 1573 CB VAL A 536 -2.605 22.629 11.143 1.00 22.12 C ATOM 1574 CG1 VAL A 536 -3.272 23.866 11.728 1.00 23.95 C ATOM 1575 CG2 VAL A 536 -1.600 23.012 10.052 1.00 22.50 C ATOM 1576 H VAL A 536 -1.902 20.290 10.687 1.00 0.00 H ATOM 1577 N LYS A 537 -3.621 20.870 13.732 1.00 10.42 N ATOM 1578 CA LYS A 537 -4.398 20.848 14.986 1.00 9.35 C ATOM 1579 C LYS A 537 -3.556 20.473 16.196 1.00 11.53 C ATOM 1580 O LYS A 537 -4.033 20.613 17.321 1.00 11.06 O ATOM 1581 CB LYS A 537 -5.624 19.916 14.866 1.00 9.72 C ATOM 1582 CG LYS A 537 -6.697 20.536 13.957 1.00 13.33 C ATOM 1583 CD LYS A 537 -7.873 19.607 13.727 1.00 12.80 C ATOM 1584 CE LYS A 537 -8.827 20.433 12.879 1.00 18.59 C ATOM 1585 NZ LYS A 537 -9.980 19.626 12.387 1.00 29.65 N ATOM 1586 HZ1 LYS A 537 -9.628 18.838 11.806 1.00 0.00 H ATOM 1587 HZ2 LYS A 537 -10.510 19.250 13.199 1.00 0.00 H ATOM 1588 HZ3 LYS A 537 -10.604 20.229 11.814 1.00 0.00 H ATOM 1589 H LYS A 537 -3.814 20.171 12.986 1.00 0.00 H ATOM 1590 N TRP A 538 -2.335 19.916 15.973 1.00 8.30 N ATOM 1591 CA TRP A 538 -1.473 19.556 17.090 1.00 8.14 C ATOM 1592 C TRP A 538 -0.339 20.578 17.273 1.00 9.87 C ATOM 1593 O TRP A 538 0.450 20.449 18.218 1.00 9.94 O ATOM 1594 CB TRP A 538 -0.832 18.181 16.799 1.00 6.71 C ATOM 1595 CG TRP A 538 -1.815 17.066 17.028 1.00 6.91 C ATOM 1596 CD1 TRP A 538 -1.952 16.331 18.169 1.00 9.47 C ATOM 1597 CD2 TRP A 538 -2.845 16.620 16.134 1.00 7.71 C ATOM 1598 NE1 TRP A 538 -2.995 15.441 18.041 1.00 8.91 N ATOM 1599 CE2 TRP A 538 -3.560 15.592 16.800 1.00 10.11 C ATOM 1600 CE3 TRP A 538 -3.225 16.967 14.824 1.00 10.30 C ATOM 1601 CZ2 TRP A 538 -4.663 14.950 16.224 1.00 10.15 C ATOM 1602 CZ3 TRP A 538 -4.305 16.307 14.236 1.00 11.52 C ATOM 1603 CH2 TRP A 538 -5.022 15.328 14.939 1.00 11.34 C ATOM 1604 HE1 TRP A 538 -3.304 14.764 18.767 1.00 0.00 H ATOM 1605 H TRP A 538 -2.015 19.746 14.998 1.00 0.00 H ATOM 1606 N TYR A 539 -0.256 21.576 16.386 1.00 9.21 N ATOM 1607 CA TYR A 539 0.858 22.527 16.397 1.00 9.97 C ATOM 1608 C TYR A 539 0.628 23.783 17.215 1.00 13.46 C ATOM 1609 O TYR A 539 -0.478 24.363 17.221 1.00 13.68 O ATOM 1610 CB TYR A 539 1.254 22.880 14.962 1.00 11.27 C ATOM 1611 CG TYR A 539 2.107 21.843 14.260 1.00 11.43 C ATOM 1612 CD1 TYR A 539 2.585 22.068 12.978 1.00 13.03 C ATOM 1613 CD2 TYR A 539 2.534 20.691 14.921 1.00 12.32 C ATOM 1614 CE1 TYR A 539 3.400 21.150 12.340 1.00 11.93 C ATOM 1615 CE2 TYR A 539 3.375 19.762 14.294 1.00 13.14 C ATOM 1616 CZ TYR A 539 3.826 20.012 13.009 1.00 15.59 C ATOM 1617 OH TYR A 539 4.668 19.126 12.376 1.00 14.21 O ATOM 1618 HH TYR A 539 4.222 18.245 12.300 1.00 0.00 H ATOM 1619 H TYR A 539 -1.003 21.679 15.669 1.00 0.00 H ATOM 1620 N ALA A 540 1.702 24.222 17.901 1.00 10.07 N ATOM 1621 CA ALA A 540 1.633 25.423 18.719 1.00 10.96 C ATOM 1622 C ALA A 540 1.587 26.672 17.850 1.00 13.60 C ATOM 1623 O ALA A 540 2.024 26.671 16.683 1.00 12.45 O ATOM 1624 CB ALA A 540 2.832 25.485 19.673 1.00 12.39 C ATOM 1625 H ALA A 540 2.596 23.693 17.845 1.00 0.00 H ATOM 1626 N PRO A 541 1.156 27.799 18.433 1.00 11.84 N ATOM 1627 CA PRO A 541 1.096 29.037 17.644 1.00 13.16 C ATOM 1628 C PRO A 541 2.433 29.464 17.001 1.00 17.98 C ATOM 1629 O PRO A 541 2.425 29.954 15.870 1.00 18.64 O ATOM 1630 CB PRO A 541 0.587 30.073 18.654 1.00 15.62 C ATOM 1631 CG PRO A 541 -0.212 29.259 19.636 1.00 17.49 C ATOM 1632 CD PRO A 541 0.585 27.984 19.780 1.00 14.47 C ATOM 1633 N GLU A 542 3.581 29.272 17.695 1.00 13.13 N ATOM 1634 CA GLU A 542 4.892 29.677 17.128 1.00 14.69 C ATOM 1635 C GLU A 542 5.270 28.793 15.925 1.00 15.40 C ATOM 1636 O GLU A 542 6.077 29.213 15.084 1.00 14.35 O ATOM 1637 CB GLU A 542 6.014 29.710 18.193 1.00 16.61 C ATOM 1638 CG GLU A 542 6.454 28.359 18.734 1.00 17.60 C ATOM 1639 CD GLU A 542 5.576 27.740 19.805 1.00 17.81 C ATOM 1640 OE1 GLU A 542 4.536 28.345 20.165 1.00 13.86 O ATOM 1641 OE2 GLU A 542 5.940 26.646 20.293 1.00 13.75 O ATOM 1642 H GLU A 542 3.543 28.835 18.638 1.00 0.00 H ATOM 1643 N CYS A 543 4.682 27.574 15.840 1.00 13.66 N ATOM 1644 CA CYS A 543 4.963 26.680 14.701 1.00 12.55 C ATOM 1645 C CYS A 543 4.259 27.253 13.498 1.00 16.86 C ATOM 1646 O CYS A 543 4.839 27.345 12.423 1.00 16.33 O ATOM 1647 CB CYS A 543 4.465 25.271 14.987 1.00 12.67 C ATOM 1648 SG CYS A 543 5.136 24.564 16.504 1.00 16.22 S ATOM 1649 H CYS A 543 4.026 27.266 16.586 1.00 0.00 H ATOM 1650 N ILE A 544 2.993 27.626 13.688 1.00 16.51 N ATOM 1651 CA ILE A 544 2.162 28.173 12.622 1.00 18.02 C ATOM 1652 C ILE A 544 2.641 29.547 12.214 1.00 21.29 C ATOM 1653 O ILE A 544 2.737 29.806 11.020 1.00 24.33 O ATOM 1654 CB ILE A 544 0.662 28.177 13.068 1.00 21.28 C ATOM 1655 CG1 ILE A 544 0.155 26.746 13.392 1.00 21.04 C ATOM 1656 CG2 ILE A 544 -0.258 28.881 12.046 1.00 24.53 C ATOM 1657 CD1 ILE A 544 0.378 25.661 12.261 1.00 24.51 C ATOM 1658 H ILE A 544 2.581 27.522 14.637 1.00 0.00 H ATOM 1659 N ASN A 545 2.934 30.436 13.195 1.00 17.85 N ATOM 1660 CA ASN A 545 3.299 31.844 12.953 1.00 18.24 C ATOM 1661 C ASN A 545 4.750 32.117 12.597 1.00 22.56 C ATOM 1662 O ASN A 545 5.032 33.079 11.868 1.00 25.98 O ATOM 1663 CB ASN A 545 2.919 32.711 14.160 1.00 20.79 C ATOM 1664 CG ASN A 545 1.434 32.770 14.408 1.00 31.31 C ATOM 1665 OD1 ASN A 545 0.617 32.517 13.516 1.00 29.83 O ATOM 1666 ND2 ASN A 545 1.050 33.008 15.649 1.00 26.21 N ATOM 1667 HD22 ASN A 545 1.758 33.218 16.381 1.00 0.00 H ATOM 1668 HD21 ASN A 545 0.040 32.985 15.894 1.00 0.00 H ATOM 1669 H ASN A 545 2.899 30.104 14.180 1.00 0.00 H ATOM 1670 N TYR A 546 5.685 31.339 13.153 1.00 17.03 N ATOM 1671 CA TYR A 546 7.102 31.595 12.935 1.00 16.84 C ATOM 1672 C TYR A 546 7.868 30.385 12.339 1.00 18.22 C ATOM 1673 O TYR A 546 9.074 30.525 12.083 1.00 17.73 O ATOM 1674 CB TYR A 546 7.763 32.055 14.254 1.00 17.57 C ATOM 1675 CG TYR A 546 7.195 33.330 14.848 1.00 19.95 C ATOM 1676 CD1 TYR A 546 6.260 33.287 15.881 1.00 21.46 C ATOM 1677 CD2 TYR A 546 7.619 34.577 14.402 1.00 23.05 C ATOM 1678 CE1 TYR A 546 5.738 34.458 16.433 1.00 25.34 C ATOM 1679 CE2 TYR A 546 7.098 35.753 14.941 1.00 25.81 C ATOM 1680 CZ TYR A 546 6.165 35.688 15.960 1.00 29.23 C ATOM 1681 OH TYR A 546 5.668 36.856 16.502 1.00 27.00 O ATOM 1682 HH TYR A 546 5.016 36.637 17.214 1.00 0.00 H ATOM 1683 H TYR A 546 5.396 30.538 13.751 1.00 0.00 H ATOM 1684 N TYR A 547 7.183 29.207 12.165 1.00 14.46 N ATOM 1685 CA TYR A 547 7.804 27.961 11.664 1.00 14.09 C ATOM 1686 C TYR A 547 8.932 27.492 12.595 1.00 16.32 C ATOM 1687 O TYR A 547 9.851 26.820 12.142 1.00 15.45 O ATOM 1688 CB TYR A 547 8.324 28.113 10.209 1.00 18.52 C ATOM 1689 CG TYR A 547 7.291 28.159 9.097 1.00 24.68 C ATOM 1690 CD1 TYR A 547 5.964 28.492 9.359 1.00 26.68 C ATOM 1691 CD2 TYR A 547 7.659 27.945 7.771 1.00 29.25 C ATOM 1692 CE1 TYR A 547 5.023 28.584 8.333 1.00 29.27 C ATOM 1693 CE2 TYR A 547 6.730 28.044 6.735 1.00 32.21 C ATOM 1694 CZ TYR A 547 5.411 28.358 7.021 1.00 43.95 C ATOM 1695 OH TYR A 547 4.495 28.455 6.002 1.00 51.35 O ATOM 1696 HH TYR A 547 3.608 28.684 6.378 1.00 0.00 H ATOM 1697 H TYR A 547 6.170 29.190 12.399 1.00 0.00 H ATOM 1698 N LYS A 548 8.805 27.754 13.905 1.00 13.76 N ATOM 1699 CA LYS A 548 9.835 27.389 14.883 1.00 13.16 C ATOM 1700 C LYS A 548 9.330 26.225 15.714 1.00 14.84 C ATOM 1701 O LYS A 548 8.267 26.309 16.338 1.00 15.13 O ATOM 1702 CB LYS A 548 10.189 28.587 15.784 1.00 15.03 C ATOM 1703 CG LYS A 548 11.053 29.618 15.049 1.00 22.40 C ATOM 1704 CD LYS A 548 11.219 30.896 15.875 1.00 28.93 C ATOM 1705 CE LYS A 548 12.127 30.737 17.078 1.00 41.94 C ATOM 1706 NZ LYS A 548 12.463 32.051 17.700 1.00 52.35 N ATOM 1707 HZ1 LYS A 548 12.949 32.650 17.002 1.00 0.00 H ATOM 1708 HZ2 LYS A 548 11.588 32.520 18.011 1.00 0.00 H ATOM 1709 HZ3 LYS A 548 13.085 31.897 18.519 1.00 0.00 H ATOM 1710 H LYS A 548 7.945 28.233 14.239 1.00 0.00 H ATOM 1711 N PHE A 549 10.105 25.137 15.720 1.00 11.80 N ATOM 1712 CA PHE A 549 9.749 23.907 16.425 1.00 10.64 C ATOM 1713 C PHE A 549 10.771 23.604 17.520 1.00 14.41 C ATOM 1714 O PHE A 549 11.943 23.415 17.238 1.00 15.33 O ATOM 1715 CB PHE A 549 9.653 22.753 15.416 1.00 12.00 C ATOM 1716 CG PHE A 549 8.541 22.946 14.410 1.00 11.25 C ATOM 1717 CD1 PHE A 549 7.303 22.324 14.587 1.00 12.50 C ATOM 1718 CD2 PHE A 549 8.753 23.687 13.248 1.00 13.49 C ATOM 1719 CE1 PHE A 549 6.302 22.455 13.632 1.00 13.44 C ATOM 1720 CE2 PHE A 549 7.730 23.849 12.306 1.00 14.41 C ATOM 1721 CZ PHE A 549 6.510 23.230 12.507 1.00 12.63 C ATOM 1722 H PHE A 549 11.004 25.166 15.198 1.00 0.00 H ATOM 1723 N SER A 550 10.318 23.527 18.757 1.00 13.10 N ATOM 1724 CA SER A 550 11.175 23.250 19.915 1.00 12.50 C ATOM 1725 C SER A 550 10.545 22.151 20.767 1.00 11.66 C ATOM 1726 O SER A 550 9.417 21.699 20.492 1.00 10.01 O ATOM 1727 CB SER A 550 11.294 24.512 20.757 1.00 13.17 C ATOM 1728 OG SER A 550 9.996 24.889 21.217 1.00 14.94 O ATOM 1729 HG SER A 550 9.408 25.061 20.439 1.00 0.00 H ATOM 1730 H SER A 550 9.301 23.670 18.919 1.00 0.00 H ATOM 1731 N SER A 551 11.227 21.761 21.854 1.00 10.82 N ATOM 1732 CA SER A 551 10.605 20.779 22.748 1.00 9.79 C ATOM 1733 C SER A 551 9.339 21.380 23.386 1.00 11.80 C ATOM 1734 O SER A 551 8.359 20.653 23.570 1.00 10.52 O ATOM 1735 CB SER A 551 11.578 20.267 23.805 1.00 13.30 C ATOM 1736 OG SER A 551 12.543 19.434 23.173 1.00 14.01 O ATOM 1737 HG SER A 551 12.085 18.671 22.739 1.00 0.00 H ATOM 1738 H SER A 551 12.172 22.145 22.057 1.00 0.00 H ATOM 1739 N LYS A 552 9.309 22.716 23.578 1.00 10.76 N ATOM 1740 CA LYS A 552 8.097 23.376 24.085 1.00 10.65 C ATOM 1741 C LYS A 552 6.928 23.299 23.082 1.00 11.76 C ATOM 1742 O LYS A 552 5.778 23.197 23.519 1.00 11.30 O ATOM 1743 CB LYS A 552 8.368 24.805 24.552 1.00 14.27 C ATOM 1744 CG LYS A 552 9.206 24.783 25.823 1.00 19.52 C ATOM 1745 CD LYS A 552 9.307 26.109 26.482 1.00 26.70 C ATOM 1746 CE LYS A 552 9.896 25.930 27.854 1.00 21.59 C ATOM 1747 NZ LYS A 552 9.862 27.199 28.584 1.00 29.01 N ATOM 1748 HZ1 LYS A 552 10.414 27.911 28.065 1.00 0.00 H ATOM 1749 HZ2 LYS A 552 8.877 27.520 28.673 1.00 0.00 H ATOM 1750 HZ3 LYS A 552 10.271 27.064 29.531 1.00 0.00 H ATOM 1751 H LYS A 552 10.153 23.285 23.365 1.00 0.00 H ATOM 1752 N SER A 553 7.221 23.302 21.775 1.00 8.97 N ATOM 1753 CA SER A 553 6.186 23.108 20.753 1.00 9.20 C ATOM 1754 C SER A 553 5.627 21.675 20.913 1.00 11.58 C ATOM 1755 O SER A 553 4.411 21.475 20.837 1.00 11.03 O ATOM 1756 CB SER A 553 6.770 23.278 19.359 1.00 12.57 C ATOM 1757 OG SER A 553 7.515 24.484 19.286 1.00 10.06 O ATOM 1758 HG SER A 553 6.921 25.250 19.486 1.00 0.00 H ATOM 1759 H SER A 553 8.207 23.445 21.477 1.00 0.00 H ATOM 1760 N ASP A 554 6.509 20.675 21.175 1.00 8.07 N ATOM 1761 CA ASP A 554 6.043 19.292 21.393 1.00 7.30 C ATOM 1762 C ASP A 554 5.181 19.237 22.670 1.00 9.38 C ATOM 1763 O ASP A 554 4.231 18.431 22.704 1.00 8.45 O ATOM 1764 CB ASP A 554 7.175 18.283 21.527 1.00 9.10 C ATOM 1765 CG ASP A 554 7.917 17.912 20.256 1.00 12.61 C ATOM 1766 OD1 ASP A 554 7.286 17.932 19.164 1.00 10.87 O ATOM 1767 OD2 ASP A 554 9.060 17.416 20.372 1.00 12.03 O ATOM 1768 H ASP A 554 7.526 20.887 21.223 1.00 0.00 H ATOM 1769 N VAL A 555 5.462 20.103 23.688 1.00 7.82 N ATOM 1770 CA VAL A 555 4.596 20.159 24.908 1.00 8.09 C ATOM 1771 C VAL A 555 3.163 20.549 24.493 1.00 10.74 C ATOM 1772 O VAL A 555 2.193 19.970 25.012 1.00 8.91 O ATOM 1773 CB VAL A 555 5.176 21.123 25.987 1.00 11.20 C ATOM 1774 CG1 VAL A 555 4.147 21.424 27.103 1.00 11.07 C ATOM 1775 CG2 VAL A 555 6.441 20.526 26.609 1.00 11.78 C ATOM 1776 H VAL A 555 6.288 20.731 23.615 1.00 0.00 H ATOM 1777 N TRP A 556 3.029 21.556 23.609 1.00 9.01 N ATOM 1778 CA TRP A 556 1.680 21.957 23.162 1.00 8.37 C ATOM 1779 C TRP A 556 0.988 20.746 22.546 1.00 9.82 C ATOM 1780 O TRP A 556 -0.166 20.441 22.891 1.00 8.56 O ATOM 1781 CB TRP A 556 1.790 23.071 22.118 1.00 8.45 C ATOM 1782 CG TRP A 556 0.455 23.511 21.607 1.00 8.73 C ATOM 1783 CD1 TRP A 556 -0.361 22.833 20.745 1.00 11.27 C ATOM 1784 CD2 TRP A 556 -0.237 24.722 21.946 1.00 9.02 C ATOM 1785 NE1 TRP A 556 -1.533 23.529 20.555 1.00 9.84 N ATOM 1786 CE2 TRP A 556 -1.480 24.696 21.270 1.00 11.88 C ATOM 1787 CE3 TRP A 556 0.098 25.854 22.713 1.00 10.58 C ATOM 1788 CZ2 TRP A 556 -2.427 25.722 21.401 1.00 12.53 C ATOM 1789 CZ3 TRP A 556 -0.837 26.879 22.829 1.00 12.46 C ATOM 1790 CH2 TRP A 556 -2.059 26.827 22.146 1.00 13.56 C ATOM 1791 HE1 TRP A 556 -2.330 23.219 19.964 1.00 0.00 H ATOM 1792 H TRP A 556 3.870 22.048 23.244 1.00 0.00 H ATOM 1793 N SER A 557 1.716 20.011 21.649 1.00 7.17 N ATOM 1794 CA SER A 557 1.165 18.815 21.004 1.00 6.29 C ATOM 1795 C SER A 557 0.726 17.781 22.034 1.00 8.43 C ATOM 1796 O SER A 557 -0.319 17.132 21.869 1.00 8.28 O ATOM 1797 CB SER A 557 2.202 18.205 20.073 1.00 8.36 C ATOM 1798 OG SER A 557 1.556 17.567 18.989 1.00 12.68 O ATOM 1799 HG SER A 557 0.964 16.852 19.334 1.00 0.00 H ATOM 1800 H SER A 557 2.686 20.309 21.419 1.00 0.00 H ATOM 1801 N PHE A 558 1.540 17.610 23.103 1.00 6.35 N ATOM 1802 CA PHE A 558 1.264 16.683 24.186 1.00 6.94 C ATOM 1803 C PHE A 558 -0.069 17.047 24.883 1.00 9.14 C ATOM 1804 O PHE A 558 -0.852 16.144 25.233 1.00 8.34 O ATOM 1805 CB PHE A 558 2.426 16.689 25.199 1.00 8.79 C ATOM 1806 CG PHE A 558 2.204 15.711 26.331 1.00 9.36 C ATOM 1807 CD1 PHE A 558 2.295 14.332 26.116 1.00 10.93 C ATOM 1808 CD2 PHE A 558 1.845 16.158 27.598 1.00 10.16 C ATOM 1809 CE1 PHE A 558 2.035 13.419 27.160 1.00 12.24 C ATOM 1810 CE2 PHE A 558 1.602 15.244 28.640 1.00 11.23 C ATOM 1811 CZ PHE A 558 1.733 13.879 28.413 1.00 9.70 C ATOM 1812 H PHE A 558 2.412 18.175 23.151 1.00 0.00 H ATOM 1813 N GLY A 559 -0.366 18.343 24.993 1.00 8.50 N ATOM 1814 CA GLY A 559 -1.662 18.775 25.543 1.00 8.20 C ATOM 1815 C GLY A 559 -2.823 18.296 24.681 1.00 8.43 C ATOM 1816 O GLY A 559 -3.818 17.771 25.193 1.00 9.25 O ATOM 1817 H GLY A 559 0.326 19.057 24.687 1.00 0.00 H ATOM 1818 N VAL A 560 -2.669 18.406 23.335 1.00 6.48 N ATOM 1819 CA VAL A 560 -3.699 17.901 22.413 1.00 6.21 C ATOM 1820 C VAL A 560 -3.796 16.369 22.542 1.00 8.00 C ATOM 1821 O VAL A 560 -4.915 15.848 22.612 1.00 7.68 O ATOM 1822 CB VAL A 560 -3.425 18.316 20.944 1.00 7.45 C ATOM 1823 CG1 VAL A 560 -4.560 17.863 20.039 1.00 9.20 C ATOM 1824 CG2 VAL A 560 -3.272 19.839 20.829 1.00 7.45 C ATOM 1825 H VAL A 560 -1.812 18.853 22.952 1.00 0.00 H ATOM 1826 N LEU A 561 -2.646 15.662 22.612 1.00 6.10 N ATOM 1827 CA LEU A 561 -2.624 14.192 22.794 1.00 5.85 C ATOM 1828 C LEU A 561 -3.396 13.806 24.088 1.00 8.37 C ATOM 1829 O LEU A 561 -4.200 12.868 24.073 1.00 7.99 O ATOM 1830 CB LEU A 561 -1.145 13.764 22.857 1.00 6.64 C ATOM 1831 CG LEU A 561 -0.828 12.285 22.935 1.00 10.39 C ATOM 1832 CD1 LEU A 561 0.634 12.060 22.479 1.00 11.55 C ATOM 1833 CD2 LEU A 561 -0.995 11.779 24.361 1.00 12.70 C ATOM 1834 H LEU A 561 -1.742 16.170 22.535 1.00 0.00 H ATOM 1835 N MET A 562 -3.142 14.518 25.194 1.00 7.76 N ATOM 1836 CA MET A 562 -3.883 14.273 26.436 1.00 8.59 C ATOM 1837 C MET A 562 -5.390 14.430 26.213 1.00 9.76 C ATOM 1838 O MET A 562 -6.164 13.577 26.635 1.00 9.58 O ATOM 1839 CB MET A 562 -3.430 15.196 27.551 1.00 11.49 C ATOM 1840 CG MET A 562 -2.066 14.829 28.109 1.00 12.46 C ATOM 1841 SD MET A 562 -1.769 16.152 29.409 1.00 14.93 S ATOM 1842 CE MET A 562 -2.912 15.615 30.728 1.00 10.73 C ATOM 1843 H MET A 562 -2.409 15.255 25.172 1.00 0.00 H ATOM 1844 N TRP A 563 -5.801 15.522 25.554 1.00 7.42 N ATOM 1845 CA TRP A 563 -7.214 15.721 25.258 1.00 8.08 C ATOM 1846 C TRP A 563 -7.765 14.542 24.435 1.00 8.62 C ATOM 1847 O TRP A 563 -8.809 13.974 24.778 1.00 8.44 O ATOM 1848 CB TRP A 563 -7.406 17.053 24.519 1.00 8.02 C ATOM 1849 CG TRP A 563 -8.853 17.380 24.297 1.00 9.14 C ATOM 1850 CD1 TRP A 563 -9.669 18.124 25.110 1.00 12.11 C ATOM 1851 CD2 TRP A 563 -9.693 16.837 23.273 1.00 10.25 C ATOM 1852 NE1 TRP A 563 -10.954 18.129 24.609 1.00 12.04 N ATOM 1853 CE2 TRP A 563 -10.999 17.342 23.489 1.00 13.71 C ATOM 1854 CE3 TRP A 563 -9.461 16.013 22.155 1.00 12.14 C ATOM 1855 CZ2 TRP A 563 -12.082 16.997 22.667 1.00 14.98 C ATOM 1856 CZ3 TRP A 563 -10.534 15.684 21.336 1.00 14.26 C ATOM 1857 CH2 TRP A 563 -11.819 16.194 21.581 1.00 15.37 C ATOM 1858 HE1 TRP A 563 -11.759 18.647 25.016 1.00 0.00 H ATOM 1859 H TRP A 563 -5.106 16.234 25.251 1.00 0.00 H ATOM 1860 N GLU A 564 -7.026 14.087 23.393 1.00 7.02 N ATOM 1861 CA GLU A 564 -7.472 12.923 22.592 1.00 7.46 C ATOM 1862 C GLU A 564 -7.630 11.675 23.452 1.00 9.81 C ATOM 1863 O GLU A 564 -8.635 10.960 23.343 1.00 9.16 O ATOM 1864 CB GLU A 564 -6.453 12.556 21.515 1.00 8.36 C ATOM 1865 CG GLU A 564 -6.230 13.610 20.439 1.00 8.18 C ATOM 1866 CD GLU A 564 -5.200 13.096 19.444 1.00 14.57 C ATOM 1867 OE1 GLU A 564 -3.980 13.248 19.695 1.00 9.70 O ATOM 1868 OE2 GLU A 564 -5.618 12.427 18.469 1.00 13.26 O ATOM 1869 H GLU A 564 -6.133 14.562 23.152 1.00 0.00 H ATOM 1870 N ALA A 565 -6.649 11.415 24.317 1.00 8.33 N ATOM 1871 CA ALA A 565 -6.682 10.232 25.195 1.00 9.38 C ATOM 1872 C ALA A 565 -7.884 10.245 26.142 1.00 11.01 C ATOM 1873 O ALA A 565 -8.567 9.220 26.273 1.00 10.65 O ATOM 1874 CB ALA A 565 -5.381 10.153 26.006 1.00 10.75 C ATOM 1875 H ALA A 565 -5.839 12.065 24.373 1.00 0.00 H ATOM 1876 N PHE A 566 -8.146 11.375 26.809 1.00 8.98 N ATOM 1877 CA PHE A 566 -9.283 11.454 27.746 1.00 9.28 C ATOM 1878 C PHE A 566 -10.614 11.537 26.996 1.00 12.87 C ATOM 1879 O PHE A 566 -11.686 11.329 27.602 1.00 15.16 O ATOM 1880 CB PHE A 566 -9.083 12.581 28.771 1.00 11.62 C ATOM 1881 CG PHE A 566 -8.045 12.241 29.831 1.00 12.99 C ATOM 1882 CD1 PHE A 566 -8.362 11.394 30.898 1.00 16.26 C ATOM 1883 CD2 PHE A 566 -6.752 12.733 29.742 1.00 15.59 C ATOM 1884 CE1 PHE A 566 -7.405 11.076 31.866 1.00 16.36 C ATOM 1885 CE2 PHE A 566 -5.789 12.408 30.710 1.00 17.97 C ATOM 1886 CZ PHE A 566 -6.131 11.595 31.777 1.00 17.42 C ATOM 1887 H PHE A 566 -7.540 12.208 26.665 1.00 0.00 H ATOM 1888 N SER A 567 -10.555 11.812 25.673 1.00 9.98 N ATOM 1889 CA SER A 567 -11.736 11.797 24.810 1.00 10.72 C ATOM 1890 C SER A 567 -11.886 10.451 24.083 1.00 14.25 C ATOM 1891 O SER A 567 -12.663 10.346 23.127 1.00 15.25 O ATOM 1892 CB SER A 567 -11.685 12.934 23.800 1.00 10.91 C ATOM 1893 OG SER A 567 -11.613 14.169 24.491 1.00 12.33 O ATOM 1894 HG SER A 567 -10.797 14.185 25.051 1.00 0.00 H ATOM 1895 H SER A 567 -9.633 12.044 25.252 1.00 0.00 H ATOM 1896 N TYR A 568 -11.113 9.434 24.510 1.00 11.62 N ATOM 1897 CA TYR A 568 -11.188 8.085 23.944 1.00 11.54 C ATOM 1898 C TYR A 568 -10.985 8.070 22.431 1.00 16.74 C ATOM 1899 O TYR A 568 -11.643 7.363 21.667 1.00 16.52 O ATOM 1900 CB TYR A 568 -12.473 7.362 24.385 1.00 13.93 C ATOM 1901 CG TYR A 568 -12.464 7.079 25.865 1.00 15.02 C ATOM 1902 CD1 TYR A 568 -11.957 5.878 26.363 1.00 16.80 C ATOM 1903 CD2 TYR A 568 -12.867 8.045 26.779 1.00 15.83 C ATOM 1904 CE1 TYR A 568 -11.882 5.638 27.733 1.00 17.29 C ATOM 1905 CE2 TYR A 568 -12.772 7.825 28.152 1.00 17.73 C ATOM 1906 CZ TYR A 568 -12.307 6.606 28.622 1.00 21.21 C ATOM 1907 OH TYR A 568 -12.223 6.379 29.969 1.00 22.74 O ATOM 1908 HH TYR A 568 -11.874 5.466 30.128 1.00 0.00 H ATOM 1909 H TYR A 568 -10.433 9.615 25.276 1.00 0.00 H ATOM 1910 N GLY A 569 -9.993 8.829 22.015 1.00 12.83 N ATOM 1911 CA GLY A 569 -9.606 8.827 20.618 1.00 13.75 C ATOM 1912 C GLY A 569 -10.436 9.645 19.663 1.00 17.94 C ATOM 1913 O GLY A 569 -10.317 9.456 18.450 1.00 19.96 O ATOM 1914 H GLY A 569 -9.485 9.433 22.692 1.00 0.00 H ATOM 1915 N GLN A 570 -11.241 10.592 20.174 1.00 15.01 N ATOM 1916 CA GLN A 570 -11.977 11.511 19.312 1.00 15.63 C ATOM 1917 C GLN A 570 -10.975 12.475 18.656 1.00 16.57 C ATOM 1918 O GLN A 570 -9.898 12.745 19.216 1.00 15.03 O ATOM 1919 CB GLN A 570 -12.968 12.349 20.130 1.00 17.32 C ATOM 1920 CG GLN A 570 -14.247 11.589 20.500 1.00 34.22 C ATOM 1921 CD GLN A 570 -15.223 11.416 19.355 1.00 59.59 C ATOM 1922 OE1 GLN A 570 -15.329 12.251 18.442 1.00 55.04 O ATOM 1923 NE2 GLN A 570 -15.982 10.331 19.399 1.00 53.61 N ATOM 1924 HE22 GLN A 570 -15.870 9.649 20.176 1.00 0.00 H ATOM 1925 HE21 GLN A 570 -16.690 10.161 18.656 1.00 0.00 H ATOM 1926 H GLN A 570 -11.342 10.672 21.206 1.00 0.00 H ATOM 1927 N LYS A 571 -11.344 13.007 17.492 1.00 14.26 N ATOM 1928 CA LYS A 571 -10.462 13.966 16.807 1.00 14.95 C ATOM 1929 C LYS A 571 -10.552 15.319 17.525 1.00 14.85 C ATOM 1930 O LYS A 571 -11.648 15.729 17.919 1.00 15.12 O ATOM 1931 CB LYS A 571 -10.894 14.132 15.339 1.00 20.52 C ATOM 1932 CG LYS A 571 -10.670 12.878 14.497 1.00 36.92 C ATOM 1933 H LYS A 571 -12.256 12.745 17.067 1.00 0.00 H ATOM 1934 N PRO A 572 -9.436 16.062 17.643 1.00 11.40 N ATOM 1935 CA PRO A 572 -9.521 17.373 18.309 1.00 10.67 C ATOM 1936 C PRO A 572 -10.134 18.427 17.388 1.00 12.94 C ATOM 1937 O PRO A 572 -10.085 18.277 16.165 1.00 12.94 O ATOM 1938 CB PRO A 572 -8.065 17.701 18.617 1.00 12.27 C ATOM 1939 CG PRO A 572 -7.283 17.001 17.556 1.00 14.35 C ATOM 1940 CD PRO A 572 -8.051 15.745 17.226 1.00 11.32 C ATOM 1941 N TYR A 573 -10.714 19.487 17.967 1.00 9.79 N ATOM 1942 CA TYR A 573 -11.291 20.588 17.203 1.00 8.02 C ATOM 1943 C TYR A 573 -12.260 20.078 16.125 1.00 11.56 C ATOM 1944 O TYR A 573 -12.177 20.458 14.951 1.00 12.58 O ATOM 1945 CB TYR A 573 -10.208 21.488 16.581 1.00 9.29 C ATOM 1946 CG TYR A 573 -9.163 21.987 17.560 1.00 9.15 C ATOM 1947 CD1 TYR A 573 -7.918 21.373 17.647 1.00 10.69 C ATOM 1948 CD2 TYR A 573 -9.438 23.040 18.429 1.00 10.75 C ATOM 1949 CE1 TYR A 573 -6.948 21.826 18.543 1.00 9.78 C ATOM 1950 CE2 TYR A 573 -8.473 23.503 19.337 1.00 9.85 C ATOM 1951 CZ TYR A 573 -7.230 22.890 19.384 1.00 11.48 C ATOM 1952 OH TYR A 573 -6.253 23.322 20.258 1.00 11.19 O ATOM 1953 HH TYR A 573 -6.584 23.241 21.187 1.00 0.00 H ATOM 1954 H TYR A 573 -10.755 19.527 19.005 1.00 0.00 H ATOM 1955 N ARG A 574 -13.202 19.232 16.550 1.00 10.95 N ATOM 1956 CA ARG A 574 -14.180 18.639 15.655 1.00 11.90 C ATOM 1957 C ARG A 574 -14.872 19.693 14.797 1.00 15.04 C ATOM 1958 O ARG A 574 -15.362 20.701 15.321 1.00 12.56 O ATOM 1959 CB ARG A 574 -15.230 17.882 16.518 1.00 15.14 C ATOM 1960 CG ARG A 574 -16.468 17.409 15.810 1.00 27.24 C ATOM 1961 CD ARG A 574 -17.089 16.317 16.628 1.00 20.82 C ATOM 1962 NE ARG A 574 -17.987 16.835 17.649 1.00 16.87 N ATOM 1963 CZ ARG A 574 -18.518 16.092 18.615 1.00 26.09 C ATOM 1964 NH1 ARG A 574 -19.368 16.628 19.475 1.00 21.43 N ATOM 1965 NH2 ARG A 574 -18.198 14.805 18.728 1.00 18.72 N ATOM 1966 HE ARG A 574 -18.228 17.846 17.621 1.00 0.00 H ATOM 1967 HH12 ARG A 574 -19.782 16.044 20.230 1.00 0.00 H ATOM 1968 HH11 ARG A 574 -19.623 17.633 19.397 1.00 0.00 H ATOM 1969 HH22 ARG A 574 -18.617 14.230 19.486 1.00 0.00 H ATOM 1970 HH21 ARG A 574 -17.529 14.375 18.058 1.00 0.00 H ATOM 1971 H ARG A 574 -13.237 18.989 17.561 1.00 0.00 H ATOM 1972 N GLY A 575 -14.923 19.416 13.488 1.00 16.02 N ATOM 1973 CA GLY A 575 -15.632 20.204 12.486 1.00 17.42 C ATOM 1974 C GLY A 575 -15.014 21.535 12.126 1.00 21.39 C ATOM 1975 O GLY A 575 -15.653 22.356 11.448 1.00 24.19 O ATOM 1976 H GLY A 575 -14.416 18.570 13.159 1.00 0.00 H ATOM 1977 N MET A 576 -13.765 21.751 12.564 1.00 15.75 N ATOM 1978 CA MET A 576 -13.072 23.017 12.316 1.00 14.35 C ATOM 1979 C MET A 576 -11.956 22.866 11.299 1.00 19.21 C ATOM 1980 O MET A 576 -11.276 21.837 11.273 1.00 19.99 O ATOM 1981 CB MET A 576 -12.505 23.589 13.631 1.00 14.51 C ATOM 1982 CG MET A 576 -13.573 23.892 14.678 1.00 16.10 C ATOM 1983 SD MET A 576 -12.880 24.460 16.258 1.00 17.70 S ATOM 1984 CE MET A 576 -12.157 26.133 15.756 1.00 17.08 C ATOM 1985 H MET A 576 -13.276 21.001 13.093 1.00 0.00 H ATOM 1986 N LYS A 577 -11.776 23.893 10.463 1.00 19.19 N ATOM 1987 CA LYS A 577 -10.661 23.931 9.509 1.00 19.56 C ATOM 1988 C LYS A 577 -9.448 24.400 10.315 1.00 21.71 C ATOM 1989 O LYS A 577 -9.623 25.079 11.335 1.00 19.23 O ATOM 1990 CB LYS A 577 -10.952 24.946 8.380 1.00 23.45 C ATOM 1991 CG LYS A 577 -11.976 24.447 7.359 1.00 34.84 C ATOM 1992 CD LYS A 577 -12.128 25.390 6.163 1.00 47.26 C ATOM 1993 CE LYS A 577 -13.199 26.431 6.368 1.00 60.38 C ATOM 1994 NZ LYS A 577 -13.349 27.304 5.175 1.00 74.42 N ATOM 1995 HZ1 LYS A 577 -12.449 27.791 4.988 1.00 0.00 H ATOM 1996 HZ2 LYS A 577 -13.608 26.723 4.352 1.00 0.00 H ATOM 1997 HZ3 LYS A 577 -14.094 28.007 5.353 1.00 0.00 H ATOM 1998 H LYS A 577 -12.445 24.688 10.489 1.00 0.00 H ATOM 1999 N GLY A 578 -8.246 24.092 9.836 1.00 20.58 N ATOM 2000 CA GLY A 578 -7.012 24.533 10.487 1.00 19.12 C ATOM 2001 C GLY A 578 -6.989 26.031 10.752 1.00 21.13 C ATOM 2002 O GLY A 578 -6.586 26.455 11.838 1.00 18.98 O ATOM 2003 H GLY A 578 -8.181 23.519 8.971 1.00 0.00 H ATOM 2004 N SER A 579 -7.445 26.858 9.776 1.00 18.92 N ATOM 2005 CA SER A 579 -7.482 28.319 9.928 1.00 18.84 C ATOM 2006 C SER A 579 -8.424 28.769 11.051 1.00 22.11 C ATOM 2007 O SER A 579 -8.134 29.741 11.763 1.00 21.35 O ATOM 2008 CB SER A 579 -7.870 28.988 8.610 1.00 24.27 C ATOM 2009 OG SER A 579 -9.135 28.531 8.159 1.00 29.51 O ATOM 2010 HG SER A 579 -9.361 28.979 7.306 1.00 0.00 H ATOM 2011 H SER A 579 -7.782 26.440 8.885 1.00 0.00 H ATOM 2012 N GLU A 580 -9.533 28.021 11.246 1.00 18.38 N ATOM 2013 CA GLU A 580 -10.513 28.313 12.302 1.00 17.62 C ATOM 2014 C GLU A 580 -9.914 27.957 13.669 1.00 17.90 C ATOM 2015 O GLU A 580 -10.173 28.665 14.639 1.00 19.76 O ATOM 2016 CB GLU A 580 -11.814 27.546 12.066 1.00 19.02 C ATOM 2017 CG GLU A 580 -12.567 28.023 10.827 1.00 25.56 C ATOM 2018 CD GLU A 580 -13.771 27.189 10.423 1.00 37.12 C ATOM 2019 OE1 GLU A 580 -13.714 25.941 10.517 1.00 27.51 O ATOM 2020 OE2 GLU A 580 -14.754 27.791 9.941 1.00 35.68 O ATOM 2021 H GLU A 580 -9.700 27.205 10.623 1.00 0.00 H ATOM 2022 N VAL A 581 -9.080 26.905 13.726 1.00 14.88 N ATOM 2023 CA VAL A 581 -8.397 26.510 14.952 1.00 12.79 C ATOM 2024 C VAL A 581 -7.404 27.615 15.332 1.00 15.35 C ATOM 2025 O VAL A 581 -7.407 28.075 16.468 1.00 14.89 O ATOM 2026 CB VAL A 581 -7.705 25.146 14.812 1.00 14.04 C ATOM 2027 CG1 VAL A 581 -6.878 24.824 16.058 1.00 13.94 C ATOM 2028 CG2 VAL A 581 -8.733 24.044 14.556 1.00 14.30 C ATOM 2029 H VAL A 581 -8.915 26.351 12.862 1.00 0.00 H ATOM 2030 N THR A 582 -6.587 28.078 14.374 1.00 14.05 N ATOM 2031 CA THR A 582 -5.642 29.166 14.636 1.00 14.86 C ATOM 2032 C THR A 582 -6.381 30.405 15.167 1.00 19.13 C ATOM 2033 O THR A 582 -5.937 31.005 16.154 1.00 17.75 O ATOM 2034 CB THR A 582 -4.857 29.458 13.334 1.00 21.11 C ATOM 2035 OG1 THR A 582 -4.200 28.243 12.958 1.00 21.97 O ATOM 2036 CG2 THR A 582 -3.826 30.570 13.504 1.00 28.47 C ATOM 2037 HG1 THR A 582 -3.685 28.391 12.125 1.00 0.00 H ATOM 2038 H THR A 582 -6.625 27.655 13.425 1.00 0.00 H ATOM 2039 N ALA A 583 -7.552 30.730 14.572 1.00 17.63 N ATOM 2040 CA ALA A 583 -8.353 31.889 14.978 1.00 19.21 C ATOM 2041 C ALA A 583 -8.890 31.721 16.410 1.00 23.09 C ATOM 2042 O ALA A 583 -8.816 32.659 17.205 1.00 24.34 O ATOM 2043 CB ALA A 583 -9.514 32.088 14.004 1.00 21.75 C ATOM 2044 H ALA A 583 -7.898 30.133 13.794 1.00 0.00 H ATOM 2045 N MET A 584 -9.364 30.501 16.745 1.00 17.56 N ATOM 2046 CA MET A 584 -9.884 30.170 18.070 1.00 16.12 C ATOM 2047 C MET A 584 -8.788 30.349 19.119 1.00 17.87 C ATOM 2048 O MET A 584 -9.038 30.963 20.152 1.00 18.07 O ATOM 2049 CB MET A 584 -10.420 28.728 18.072 1.00 17.49 C ATOM 2050 CG MET A 584 -10.912 28.231 19.421 1.00 19.93 C ATOM 2051 SD MET A 584 -11.324 26.470 19.289 1.00 22.15 S ATOM 2052 CE MET A 584 -11.704 26.066 21.004 1.00 21.21 C ATOM 2053 H MET A 584 -9.359 29.756 16.019 1.00 0.00 H ATOM 2054 N LEU A 585 -7.584 29.792 18.863 1.00 16.06 N ATOM 2055 CA LEU A 585 -6.479 29.852 19.820 1.00 15.03 C ATOM 2056 C LEU A 585 -6.001 31.273 20.038 1.00 19.45 C ATOM 2057 O LEU A 585 -5.663 31.633 21.162 1.00 18.01 O ATOM 2058 CB LEU A 585 -5.306 28.945 19.371 1.00 13.52 C ATOM 2059 CG LEU A 585 -5.658 27.472 19.264 1.00 15.69 C ATOM 2060 CD1 LEU A 585 -4.512 26.724 18.566 1.00 15.63 C ATOM 2061 CD2 LEU A 585 -5.953 26.865 20.659 1.00 15.30 C ATOM 2062 H LEU A 585 -7.438 29.305 17.956 1.00 0.00 H ATOM 2063 N GLU A 586 -5.980 32.086 18.964 1.00 19.58 N ATOM 2064 CA GLU A 586 -5.550 33.475 19.035 1.00 20.51 C ATOM 2065 C GLU A 586 -6.524 34.308 19.896 1.00 25.85 C ATOM 2066 O GLU A 586 -6.090 35.273 20.525 1.00 28.69 O ATOM 2067 CB GLU A 586 -5.430 34.040 17.623 1.00 22.26 C ATOM 2068 CG GLU A 586 -4.813 35.422 17.564 1.00 26.72 C ATOM 2069 CD GLU A 586 -4.484 35.817 16.144 1.00 37.31 C ATOM 2070 OE1 GLU A 586 -3.699 35.085 15.496 1.00 32.31 O ATOM 2071 OE2 GLU A 586 -4.967 36.882 15.697 1.00 34.93 O ATOM 2072 H GLU A 586 -6.284 31.705 18.045 1.00 0.00 H ATOM 2073 N LYS A 587 -7.816 33.922 19.936 1.00 22.02 N ATOM 2074 CA LYS A 587 -8.859 34.542 20.772 1.00 22.75 C ATOM 2075 C LYS A 587 -8.726 34.060 22.245 1.00 25.81 C ATOM 2076 O LYS A 587 -9.559 34.430 23.072 1.00 24.95 O ATOM 2077 CB LYS A 587 -10.266 34.151 20.254 1.00 24.90 C ATOM 2078 CG LYS A 587 -10.752 34.979 19.068 1.00 40.80 C ATOM 2079 CD LYS A 587 -11.744 34.225 18.177 1.00 50.63 C ATOM 2080 CE LYS A 587 -13.121 34.044 18.774 1.00 58.20 C ATOM 2081 NZ LYS A 587 -14.001 33.246 17.881 1.00 69.70 N ATOM 2082 HZ1 LYS A 587 -14.099 33.733 16.967 1.00 0.00 H ATOM 2083 HZ2 LYS A 587 -13.580 32.307 17.731 1.00 0.00 H ATOM 2084 HZ3 LYS A 587 -14.937 33.142 18.322 1.00 0.00 H ATOM 2085 H LYS A 587 -8.098 33.125 19.330 1.00 0.00 H ATOM 2086 N GLY A 588 -7.725 33.219 22.549 1.00 20.43 N ATOM 2087 CA GLY A 588 -7.504 32.687 23.894 1.00 19.39 C ATOM 2088 C GLY A 588 -8.423 31.537 24.286 1.00 20.01 C ATOM 2089 O GLY A 588 -8.380 31.071 25.432 1.00 19.48 O ATOM 2090 H GLY A 588 -7.074 32.931 21.791 1.00 0.00 H ATOM 2091 N GLU A 589 -9.228 31.034 23.325 1.00 16.13 N ATOM 2092 CA GLU A 589 -10.160 29.937 23.527 1.00 15.05 C ATOM 2093 C GLU A 589 -9.444 28.588 23.433 1.00 16.09 C ATOM 2094 O GLU A 589 -8.509 28.436 22.640 1.00 14.48 O ATOM 2095 CB GLU A 589 -11.318 29.967 22.519 1.00 17.13 C ATOM 2096 CG GLU A 589 -12.304 31.113 22.708 1.00 24.68 C ATOM 2097 CD GLU A 589 -13.398 31.218 21.660 1.00 46.00 C ATOM 2098 OE1 GLU A 589 -13.677 30.217 20.957 1.00 36.99 O ATOM 2099 OE2 GLU A 589 -14.006 32.308 21.568 1.00 50.30 O ATOM 2100 H GLU A 589 -9.178 31.460 22.378 1.00 0.00 H ATOM 2101 N ARG A 590 -9.913 27.645 24.230 1.00 14.11 N ATOM 2102 CA ARG A 590 -9.348 26.301 24.249 1.00 12.49 C ATOM 2103 C ARG A 590 -10.452 25.225 24.283 1.00 14.95 C ATOM 2104 O ARG A 590 -11.505 25.467 24.772 1.00 14.76 O ATOM 2105 CB ARG A 590 -8.444 26.105 25.446 1.00 13.34 C ATOM 2106 CG ARG A 590 -7.304 27.132 25.560 1.00 13.17 C ATOM 2107 CD ARG A 590 -6.242 26.958 24.489 1.00 10.20 C ATOM 2108 NE ARG A 590 -5.048 27.765 24.721 1.00 14.10 N ATOM 2109 CZ ARG A 590 -4.843 28.934 24.151 1.00 18.32 C ATOM 2110 NH1 ARG A 590 -5.737 29.449 23.361 1.00 12.56 N ATOM 2111 NH2 ARG A 590 -3.732 29.579 24.397 1.00 17.97 N ATOM 2112 HE ARG A 590 -4.322 27.398 25.369 1.00 0.00 H ATOM 2113 HH12 ARG A 590 -5.567 30.373 22.915 1.00 0.00 H ATOM 2114 HH11 ARG A 590 -6.623 28.937 23.175 1.00 0.00 H ATOM 2115 HH22 ARG A 590 -3.558 30.503 23.953 1.00 0.00 H ATOM 2116 HH21 ARG A 590 -3.023 29.168 25.037 1.00 0.00 H ATOM 2117 H ARG A 590 -10.708 27.868 24.862 1.00 0.00 H ATOM 2118 N MET A 591 -10.122 24.013 23.848 1.00 11.66 N ATOM 2119 CA MET A 591 -11.093 22.942 23.903 1.00 10.72 C ATOM 2120 C MET A 591 -11.540 22.727 25.356 1.00 16.72 C ATOM 2121 O MET A 591 -10.820 22.893 26.275 1.00 15.76 O ATOM 2122 CB MET A 591 -10.522 21.629 23.356 1.00 12.01 C ATOM 2123 CG MET A 591 -10.280 21.685 21.887 1.00 14.23 C ATOM 2124 SD MET A 591 -9.693 20.026 21.305 1.00 16.01 S ATOM 2125 CE MET A 591 -8.049 19.930 21.888 1.00 12.07 C ATOM 2126 H MET A 591 -9.170 23.835 23.470 1.00 0.00 H ATOM 2127 N GLY A 592 -12.787 22.319 25.470 1.00 16.48 N ATOM 2128 CA GLY A 592 -13.390 22.059 26.752 1.00 17.10 C ATOM 2129 C GLY A 592 -12.893 20.785 27.397 1.00 18.62 C ATOM 2130 O GLY A 592 -12.179 20.038 26.813 1.00 17.80 O ATOM 2131 H GLY A 592 -13.353 22.180 24.609 1.00 0.00 H ATOM 2132 N CYS A 593 -13.265 20.580 28.647 1.00 15.58 N ATOM 2133 CA CYS A 593 -12.820 19.408 29.397 1.00 14.82 C ATOM 2134 C CYS A 593 -13.564 18.144 28.913 1.00 17.51 C ATOM 2135 O CYS A 593 -14.807 18.143 28.949 1.00 17.73 O ATOM 2136 CB CYS A 593 -13.056 19.634 30.893 1.00 15.76 C ATOM 2137 SG CYS A 593 -12.449 18.281 31.930 1.00 18.92 S ATOM 2138 H CYS A 593 -13.891 21.270 29.109 1.00 0.00 H ATOM 2139 N PRO A 594 -12.852 17.032 28.542 1.00 13.59 N ATOM 2140 CA PRO A 594 -13.582 15.826 28.105 1.00 13.27 C ATOM 2141 C PRO A 594 -14.438 15.257 29.233 1.00 17.79 C ATOM 2142 O PRO A 594 -14.068 15.381 30.396 1.00 16.87 O ATOM 2143 CB PRO A 594 -12.448 14.836 27.749 1.00 13.76 C ATOM 2144 CG PRO A 594 -11.283 15.752 27.339 1.00 16.45 C ATOM 2145 CD PRO A 594 -11.390 16.875 28.371 1.00 14.37 C ATOM 2146 N ALA A 595 -15.551 14.589 28.892 1.00 17.17 N ATOM 2147 CA ALA A 595 -16.394 13.917 29.908 1.00 18.10 C ATOM 2148 C ALA A 595 -15.555 12.955 30.743 1.00 19.21 C ATOM 2149 O ALA A 595 -14.784 12.165 30.205 1.00 18.57 O ATOM 2150 CB ALA A 595 -17.534 13.164 29.232 1.00 19.68 C ATOM 2151 H ALA A 595 -15.828 14.542 27.891 1.00 0.00 H ATOM 2152 N GLY A 596 -15.680 13.050 32.063 1.00 19.74 N ATOM 2153 CA GLY A 596 -14.971 12.160 32.981 1.00 20.05 C ATOM 2154 C GLY A 596 -13.504 12.441 33.196 1.00 24.31 C ATOM 2155 O GLY A 596 -12.831 11.711 33.936 1.00 24.72 O ATOM 2156 H GLY A 596 -16.304 13.783 32.456 1.00 0.00 H ATOM 2157 N CYS A 597 -12.976 13.484 32.532 1.00 19.02 N ATOM 2158 CA CYS A 597 -11.571 13.805 32.669 1.00 17.00 C ATOM 2159 C CYS A 597 -11.347 14.530 34.013 1.00 19.59 C ATOM 2160 O CYS A 597 -12.026 15.534 34.288 1.00 18.70 O ATOM 2161 CB CYS A 597 -11.092 14.644 31.489 1.00 15.93 C ATOM 2162 SG CYS A 597 -9.373 15.182 31.632 1.00 18.44 S ATOM 2163 H CYS A 597 -13.581 14.064 31.916 1.00 0.00 H ATOM 2164 N PRO A 598 -10.384 14.049 34.839 1.00 18.36 N ATOM 2165 CA PRO A 598 -10.101 14.729 36.120 1.00 19.30 C ATOM 2166 C PRO A 598 -9.694 16.180 35.930 1.00 22.60 C ATOM 2167 O PRO A 598 -8.939 16.495 34.990 1.00 19.55 O ATOM 2168 CB PRO A 598 -8.933 13.925 36.699 1.00 21.57 C ATOM 2169 CG PRO A 598 -9.011 12.589 36.034 1.00 25.11 C ATOM 2170 CD PRO A 598 -9.534 12.859 34.660 1.00 19.38 C ATOM 2171 N ARG A 599 -10.188 17.067 36.823 1.00 20.53 N ATOM 2172 CA ARG A 599 -9.898 18.509 36.774 1.00 20.43 C ATOM 2173 C ARG A 599 -8.381 18.770 36.674 1.00 22.77 C ATOM 2174 O ARG A 599 -7.946 19.620 35.882 1.00 20.57 O ATOM 2175 CB ARG A 599 -10.504 19.217 38.010 1.00 22.76 C ATOM 2176 CG ARG A 599 -10.390 20.735 37.958 1.00 35.08 C ATOM 2177 H ARG A 599 -10.804 16.712 37.582 1.00 0.00 H ATOM 2178 N GLU A 600 -7.579 17.977 37.415 1.00 19.70 N ATOM 2179 CA GLU A 600 -6.121 18.132 37.460 1.00 18.81 C ATOM 2180 C GLU A 600 -5.494 17.872 36.093 1.00 18.98 C ATOM 2181 O GLU A 600 -4.519 18.533 35.720 1.00 19.10 O ATOM 2182 CB GLU A 600 -5.503 17.209 38.516 1.00 20.90 C ATOM 2183 CG GLU A 600 -5.904 17.580 39.941 1.00 28.00 C ATOM 2184 CD GLU A 600 -7.216 17.032 40.487 1.00 47.47 C ATOM 2185 OE1 GLU A 600 -8.022 16.455 39.716 1.00 25.65 O ATOM 2186 OE2 GLU A 600 -7.441 17.198 41.706 1.00 45.54 O ATOM 2187 H GLU A 600 -8.015 17.221 37.980 1.00 0.00 H ATOM 2188 N MET A 601 -6.089 16.954 35.336 1.00 15.81 N ATOM 2189 CA MET A 601 -5.574 16.639 34.002 1.00 13.48 C ATOM 2190 C MET A 601 -5.975 17.704 32.969 1.00 15.97 C ATOM 2191 O MET A 601 -5.176 18.061 32.078 1.00 14.49 O ATOM 2192 CB MET A 601 -5.942 15.223 33.583 1.00 15.18 C ATOM 2193 CG MET A 601 -5.388 14.167 34.524 1.00 17.16 C ATOM 2194 SD MET A 601 -3.599 13.964 34.330 1.00 18.44 S ATOM 2195 CE MET A 601 -2.923 15.147 35.490 1.00 18.65 C ATOM 2196 H MET A 601 -6.928 16.455 35.695 1.00 0.00 H ATOM 2197 N TYR A 602 -7.168 18.274 33.131 1.00 14.60 N ATOM 2198 CA TYR A 602 -7.586 19.362 32.266 1.00 14.49 C ATOM 2199 C TYR A 602 -6.746 20.602 32.556 1.00 16.92 C ATOM 2200 O TYR A 602 -6.332 21.301 31.634 1.00 14.88 O ATOM 2201 CB TYR A 602 -9.065 19.655 32.444 1.00 15.74 C ATOM 2202 CG TYR A 602 -9.565 20.682 31.466 1.00 14.86 C ATOM 2203 CD1 TYR A 602 -9.426 20.493 30.095 1.00 15.39 C ATOM 2204 CD2 TYR A 602 -10.230 21.824 31.906 1.00 16.59 C ATOM 2205 CE1 TYR A 602 -9.856 21.457 29.186 1.00 15.51 C ATOM 2206 CE2 TYR A 602 -10.740 22.752 31.004 1.00 18.28 C ATOM 2207 CZ TYR A 602 -10.546 22.566 29.645 1.00 24.21 C ATOM 2208 OH TYR A 602 -11.058 23.457 28.748 1.00 21.29 O ATOM 2209 HH TYR A 602 -10.825 23.170 27.830 1.00 0.00 H ATOM 2210 H TYR A 602 -7.804 17.937 33.882 1.00 0.00 H ATOM 2211 N ASP A 603 -6.425 20.832 33.844 1.00 13.75 N ATOM 2212 CA ASP A 603 -5.532 21.925 34.232 1.00 14.03 C ATOM 2213 C ASP A 603 -4.181 21.774 33.511 1.00 16.14 C ATOM 2214 O ASP A 603 -3.655 22.753 32.983 1.00 16.89 O ATOM 2215 CB ASP A 603 -5.337 21.911 35.755 1.00 16.36 C ATOM 2216 CG ASP A 603 -6.577 22.350 36.526 1.00 26.12 C ATOM 2217 OD1 ASP A 603 -7.551 22.824 35.881 1.00 26.33 O ATOM 2218 OD2 ASP A 603 -6.579 22.217 37.756 1.00 32.14 O ATOM 2219 H ASP A 603 -6.822 20.217 34.582 1.00 0.00 H ATOM 2220 N LEU A 604 -3.632 20.540 33.481 1.00 12.99 N ATOM 2221 CA LEU A 604 -2.344 20.267 32.829 1.00 12.87 C ATOM 2222 C LEU A 604 -2.432 20.495 31.319 1.00 13.69 C ATOM 2223 O LEU A 604 -1.531 21.117 30.746 1.00 13.33 O ATOM 2224 CB LEU A 604 -1.858 18.855 33.170 1.00 13.19 C ATOM 2225 CG LEU A 604 -0.471 18.482 32.633 1.00 17.00 C ATOM 2226 CD1 LEU A 604 0.625 19.466 33.123 1.00 18.15 C ATOM 2227 CD2 LEU A 604 -0.135 17.049 32.985 1.00 18.00 C ATOM 2228 H LEU A 604 -4.140 19.755 33.936 1.00 0.00 H ATOM 2229 N MET A 605 -3.535 20.062 30.675 1.00 11.76 N ATOM 2230 CA MET A 605 -3.719 20.337 29.235 1.00 10.37 C ATOM 2231 C MET A 605 -3.649 21.841 29.000 1.00 13.74 C ATOM 2232 O MET A 605 -2.949 22.280 28.089 1.00 13.26 O ATOM 2233 CB MET A 605 -5.114 19.866 28.752 1.00 12.43 C ATOM 2234 CG MET A 605 -5.258 18.421 28.679 1.00 14.37 C ATOM 2235 SD MET A 605 -6.990 18.029 28.281 1.00 15.41 S ATOM 2236 CE MET A 605 -7.088 16.485 29.028 1.00 14.32 C ATOM 2237 H MET A 605 -4.262 19.531 31.196 1.00 0.00 H ATOM 2238 N ASN A 606 -4.369 22.649 29.835 1.00 11.48 N ATOM 2239 CA ASN A 606 -4.362 24.099 29.666 1.00 12.44 C ATOM 2240 C ASN A 606 -2.978 24.708 29.827 1.00 16.10 C ATOM 2241 O ASN A 606 -2.639 25.657 29.110 1.00 17.16 O ATOM 2242 CB ASN A 606 -5.391 24.770 30.578 1.00 14.33 C ATOM 2243 CG ASN A 606 -6.716 24.833 29.892 1.00 27.00 C ATOM 2244 OD1 ASN A 606 -6.842 25.469 28.845 1.00 16.21 O ATOM 2245 ND2 ASN A 606 -7.687 24.047 30.362 1.00 22.55 N ATOM 2246 HD22 ASN A 606 -7.548 23.523 31.250 1.00 0.00 H ATOM 2247 HD21 ASN A 606 -8.582 23.958 29.840 1.00 0.00 H ATOM 2248 H ASN A 606 -4.930 22.225 30.601 1.00 0.00 H ATOM 2249 N LEU A 607 -2.173 24.166 30.752 1.00 14.01 N ATOM 2250 CA LEU A 607 -0.792 24.653 30.935 1.00 15.50 C ATOM 2251 C LEU A 607 0.055 24.316 29.687 1.00 16.27 C ATOM 2252 O LEU A 607 0.867 25.135 29.245 1.00 14.81 O ATOM 2253 CB LEU A 607 -0.184 24.029 32.201 1.00 17.53 C ATOM 2254 CG LEU A 607 1.182 24.538 32.667 1.00 23.96 C ATOM 2255 CD1 LEU A 607 1.133 26.001 33.107 1.00 26.63 C ATOM 2256 CD2 LEU A 607 1.719 23.672 33.780 1.00 26.94 C ATOM 2257 H LEU A 607 -2.527 23.391 31.349 1.00 0.00 H ATOM 2258 N CYS A 608 -0.148 23.120 29.085 1.00 12.18 N ATOM 2259 CA CYS A 608 0.578 22.789 27.845 1.00 11.09 C ATOM 2260 C CYS A 608 0.187 23.758 26.752 1.00 13.17 C ATOM 2261 O CYS A 608 1.003 24.044 25.868 1.00 13.39 O ATOM 2262 CB CYS A 608 0.272 21.359 27.412 1.00 10.79 C ATOM 2263 SG CYS A 608 0.914 20.095 28.533 1.00 13.49 S ATOM 2264 H CYS A 608 -0.815 22.436 29.497 1.00 0.00 H ATOM 2265 N TRP A 609 -1.080 24.241 26.788 1.00 11.02 N ATOM 2266 CA TRP A 609 -1.599 25.172 25.797 1.00 10.37 C ATOM 2267 C TRP A 609 -1.352 26.617 26.173 1.00 15.06 C ATOM 2268 O TRP A 609 -2.175 27.479 25.872 1.00 13.82 O ATOM 2269 CB TRP A 609 -3.078 24.942 25.486 1.00 9.26 C ATOM 2270 CG TRP A 609 -3.427 23.546 25.045 1.00 8.69 C ATOM 2271 CD1 TRP A 609 -2.678 22.697 24.276 1.00 11.26 C ATOM 2272 CD2 TRP A 609 -4.675 22.884 25.281 1.00 8.73 C ATOM 2273 NE1 TRP A 609 -3.376 21.530 24.044 1.00 10.03 N ATOM 2274 CE2 TRP A 609 -4.584 21.596 24.702 1.00 10.65 C ATOM 2275 CE3 TRP A 609 -5.840 23.230 25.987 1.00 10.25 C ATOM 2276 CZ2 TRP A 609 -5.652 20.673 24.756 1.00 9.83 C ATOM 2277 CZ3 TRP A 609 -6.878 22.305 26.074 1.00 11.36 C ATOM 2278 CH2 TRP A 609 -6.794 21.064 25.428 1.00 11.34 C ATOM 2279 HE1 TRP A 609 -3.044 20.731 23.467 1.00 0.00 H ATOM 2280 H TRP A 609 -1.708 23.933 27.557 1.00 0.00 H ATOM 2281 N THR A 610 -0.199 26.895 26.761 1.00 11.70 N ATOM 2282 CA THR A 610 0.199 28.276 27.070 1.00 11.58 C ATOM 2283 C THR A 610 0.651 28.886 25.737 1.00 16.59 C ATOM 2284 O THR A 610 1.537 28.343 25.060 1.00 14.52 O ATOM 2285 CB THR A 610 1.326 28.263 28.100 1.00 13.96 C ATOM 2286 OG1 THR A 610 0.797 27.798 29.326 1.00 16.20 O ATOM 2287 CG2 THR A 610 1.963 29.655 28.317 1.00 14.56 C ATOM 2288 HG1 THR A 610 0.437 26.884 29.203 1.00 0.00 H ATOM 2289 H THR A 610 0.442 26.116 27.011 1.00 0.00 H ATOM 2290 N TYR A 611 0.004 30.004 25.348 1.00 15.47 N ATOM 2291 CA TYR A 611 0.277 30.654 24.073 1.00 15.49 C ATOM 2292 C TYR A 611 1.722 31.038 23.874 1.00 20.06 C ATOM 2293 O TYR A 611 2.283 30.741 22.816 1.00 19.70 O ATOM 2294 CB TYR A 611 -0.620 31.897 23.892 1.00 16.62 C ATOM 2295 CG TYR A 611 -0.556 32.460 22.492 1.00 16.37 C ATOM 2296 CD1 TYR A 611 -1.505 32.112 21.538 1.00 17.04 C ATOM 2297 CD2 TYR A 611 0.427 33.377 22.133 1.00 19.33 C ATOM 2298 CE1 TYR A 611 -1.447 32.625 20.242 1.00 18.78 C ATOM 2299 CE2 TYR A 611 0.501 33.889 20.842 1.00 20.88 C ATOM 2300 CZ TYR A 611 -0.451 33.527 19.906 1.00 22.18 C ATOM 2301 OH TYR A 611 -0.362 34.055 18.641 1.00 24.19 O ATOM 2302 HH TYR A 611 -1.105 33.708 18.087 1.00 0.00 H ATOM 2303 H TYR A 611 -0.713 30.415 25.979 1.00 0.00 H ATOM 2304 N ASP A 612 2.290 31.776 24.837 1.00 19.19 N ATOM 2305 CA ASP A 612 3.661 32.252 24.726 1.00 19.95 C ATOM 2306 C ASP A 612 4.607 31.109 25.034 1.00 22.38 C ATOM 2307 O ASP A 612 4.642 30.602 26.159 1.00 21.58 O ATOM 2308 CB ASP A 612 3.879 33.432 25.672 1.00 22.16 C ATOM 2309 CG ASP A 612 5.221 34.119 25.465 1.00 33.28 C ATOM 2310 OD1 ASP A 612 6.010 33.655 24.593 1.00 33.01 O ATOM 2311 OD2 ASP A 612 5.509 35.071 26.200 1.00 30.66 O ATOM 2312 H ASP A 612 1.738 32.015 25.685 1.00 0.00 H ATOM 2313 N VAL A 613 5.353 30.673 24.001 1.00 20.04 N ATOM 2314 CA VAL A 613 6.323 29.579 24.142 1.00 19.81 C ATOM 2315 C VAL A 613 7.284 29.799 25.339 1.00 22.48 C ATOM 2316 O VAL A 613 7.628 28.846 26.021 1.00 22.42 O ATOM 2317 CB VAL A 613 7.067 29.332 22.789 1.00 22.78 C ATOM 2318 CG1 VAL A 613 8.016 30.475 22.446 1.00 23.88 C ATOM 2319 CG2 VAL A 613 7.809 27.995 22.787 1.00 22.10 C ATOM 2320 H VAL A 613 5.238 31.126 23.072 1.00 0.00 H ATOM 2321 N GLU A 614 7.671 31.064 25.632 1.00 23.28 N ATOM 2322 CA GLU A 614 8.595 31.320 26.727 1.00 24.65 C ATOM 2323 C GLU A 614 8.052 30.963 28.122 1.00 28.96 C ATOM 2324 O GLU A 614 8.824 30.502 28.961 1.00 30.53 O ATOM 2325 CB GLU A 614 9.126 32.771 26.690 1.00 27.65 C ATOM 2326 CG GLU A 614 9.814 33.153 25.380 1.00 39.57 C ATOM 2327 CD GLU A 614 10.899 32.233 24.835 1.00 65.02 C ATOM 2328 OE1 GLU A 614 11.717 31.712 25.630 1.00 63.11 O ATOM 2329 OE2 GLU A 614 10.937 32.048 23.597 1.00 60.07 O ATOM 2330 H GLU A 614 7.305 31.859 25.070 1.00 0.00 H ATOM 2331 N ASN A 615 6.728 31.076 28.339 1.00 22.62 N ATOM 2332 CA ASN A 615 6.097 30.773 29.631 1.00 22.66 C ATOM 2333 C ASN A 615 5.438 29.372 29.696 1.00 23.54 C ATOM 2334 O ASN A 615 4.869 28.988 30.720 1.00 24.20 O ATOM 2335 CB ASN A 615 5.094 31.860 29.947 1.00 23.12 C ATOM 2336 CG ASN A 615 5.801 33.176 30.160 1.00 43.70 C ATOM 2337 OD1 ASN A 615 6.746 33.265 30.947 1.00 37.08 O ATOM 2338 ND2 ASN A 615 5.462 34.177 29.361 1.00 34.25 N ATOM 2339 HD22 ASN A 615 4.660 34.072 28.708 1.00 0.00 H ATOM 2340 HD21 ASN A 615 5.998 35.068 29.387 1.00 0.00 H ATOM 2341 H ASN A 615 6.123 31.393 27.555 1.00 0.00 H ATOM 2342 N ARG A 616 5.543 28.615 28.613 1.00 17.31 N ATOM 2343 CA ARG A 616 4.997 27.264 28.542 1.00 15.26 C ATOM 2344 C ARG A 616 5.976 26.310 29.253 1.00 18.38 C ATOM 2345 O ARG A 616 7.195 26.480 29.114 1.00 19.85 O ATOM 2346 CB ARG A 616 4.851 26.870 27.068 1.00 13.70 C ATOM 2347 CG ARG A 616 4.063 25.569 26.861 1.00 11.96 C ATOM 2348 CD ARG A 616 3.973 25.186 25.390 1.00 12.50 C ATOM 2349 NE ARG A 616 3.432 26.293 24.605 1.00 12.32 N ATOM 2350 CZ ARG A 616 3.869 26.643 23.395 1.00 13.16 C ATOM 2351 NH1 ARG A 616 4.775 25.896 22.764 1.00 10.69 N ATOM 2352 NH2 ARG A 616 3.374 27.724 22.787 1.00 14.33 N ATOM 2353 HE ARG A 616 2.653 26.845 25.018 1.00 0.00 H ATOM 2354 HH12 ARG A 616 5.112 26.174 21.820 1.00 0.00 H ATOM 2355 HH11 ARG A 616 5.145 25.035 23.215 1.00 0.00 H ATOM 2356 HH22 ARG A 616 3.718 27.993 21.843 1.00 0.00 H ATOM 2357 HH21 ARG A 616 2.644 28.297 23.257 1.00 0.00 H ATOM 2358 H ARG A 616 6.034 28.999 27.781 1.00 0.00 H ATOM 2359 N PRO A 617 5.507 25.319 30.029 1.00 16.11 N ATOM 2360 CA PRO A 617 6.450 24.408 30.692 1.00 16.61 C ATOM 2361 C PRO A 617 7.158 23.484 29.706 1.00 17.90 C ATOM 2362 O PRO A 617 6.621 23.190 28.625 1.00 14.89 O ATOM 2363 CB PRO A 617 5.535 23.542 31.561 1.00 18.39 C ATOM 2364 CG PRO A 617 4.223 23.541 30.825 1.00 20.74 C ATOM 2365 CD PRO A 617 4.109 24.954 30.357 1.00 17.60 C ATOM 2366 N GLY A 618 8.318 22.992 30.127 1.00 15.64 N ATOM 2367 CA GLY A 618 9.033 21.961 29.384 1.00 14.30 C ATOM 2368 C GLY A 618 8.566 20.596 29.859 1.00 15.44 C ATOM 2369 O GLY A 618 7.771 20.499 30.807 1.00 15.57 O ATOM 2370 H GLY A 618 8.728 23.353 31.012 1.00 0.00 H ATOM 2371 N PHE A 619 9.099 19.509 29.259 1.00 12.04 N ATOM 2372 CA PHE A 619 8.673 18.155 29.647 1.00 11.54 C ATOM 2373 C PHE A 619 9.128 17.726 31.045 1.00 15.43 C ATOM 2374 O PHE A 619 8.438 16.917 31.663 1.00 15.29 O ATOM 2375 CB PHE A 619 9.066 17.121 28.606 1.00 12.22 C ATOM 2376 CG PHE A 619 8.112 17.083 27.423 1.00 10.76 C ATOM 2377 CD1 PHE A 619 8.503 17.560 26.183 1.00 10.18 C ATOM 2378 CD2 PHE A 619 6.812 16.590 27.567 1.00 10.75 C ATOM 2379 CE1 PHE A 619 7.616 17.515 25.080 1.00 10.94 C ATOM 2380 CE2 PHE A 619 5.920 16.569 26.475 1.00 11.67 C ATOM 2381 CZ PHE A 619 6.335 17.023 25.237 1.00 10.17 C ATOM 2382 H PHE A 619 9.817 19.630 28.516 1.00 0.00 H ATOM 2383 N ALA A 620 10.236 18.257 31.573 1.00 15.24 N ATOM 2384 CA ALA A 620 10.570 17.863 32.949 1.00 16.32 C ATOM 2385 C ALA A 620 9.439 18.332 33.912 1.00 20.54 C ATOM 2386 O ALA A 620 9.002 17.560 34.776 1.00 20.11 O ATOM 2387 CB ALA A 620 11.914 18.452 33.367 1.00 18.40 C ATOM 2388 H ALA A 620 10.833 18.917 31.035 1.00 0.00 H ATOM 2389 N ALA A 621 8.938 19.571 33.738 1.00 18.72 N ATOM 2390 CA ALA A 621 7.859 20.081 34.585 1.00 19.37 C ATOM 2391 C ALA A 621 6.556 19.289 34.345 1.00 19.95 C ATOM 2392 O ALA A 621 5.864 18.939 35.303 1.00 19.57 O ATOM 2393 CB ALA A 621 7.647 21.567 34.337 1.00 20.73 C ATOM 2394 H ALA A 621 9.326 20.177 32.987 1.00 0.00 H ATOM 2395 N VAL A 622 6.230 18.993 33.075 1.00 14.94 N ATOM 2396 CA VAL A 622 5.019 18.229 32.747 1.00 14.42 C ATOM 2397 C VAL A 622 5.056 16.820 33.323 1.00 16.26 C ATOM 2398 O VAL A 622 4.083 16.398 33.949 1.00 16.76 O ATOM 2399 CB VAL A 622 4.781 18.237 31.215 1.00 16.74 C ATOM 2400 CG1 VAL A 622 3.678 17.257 30.794 1.00 16.34 C ATOM 2401 CG2 VAL A 622 4.470 19.648 30.736 1.00 16.50 C ATOM 2402 H VAL A 622 6.851 19.313 32.305 1.00 0.00 H ATOM 2403 N GLU A 623 6.149 16.081 33.084 1.00 14.28 N ATOM 2404 CA GLU A 623 6.300 14.715 33.586 1.00 13.77 C ATOM 2405 C GLU A 623 6.190 14.709 35.107 1.00 17.43 C ATOM 2406 O GLU A 623 5.522 13.831 35.643 1.00 18.59 O ATOM 2407 CB GLU A 623 7.644 14.096 33.128 1.00 14.90 C ATOM 2408 CG GLU A 623 7.837 12.639 33.522 1.00 19.23 C ATOM 2409 CD GLU A 623 8.269 12.373 34.952 1.00 30.66 C ATOM 2410 OE1 GLU A 623 8.933 13.253 35.548 1.00 23.65 O ATOM 2411 OE2 GLU A 623 7.894 11.308 35.498 1.00 19.65 O ATOM 2412 H GLU A 623 6.919 16.495 32.520 1.00 0.00 H ATOM 2413 N LEU A 624 6.830 15.672 35.799 1.00 16.70 N ATOM 2414 CA LEU A 624 6.745 15.698 37.275 1.00 18.74 C ATOM 2415 C LEU A 624 5.296 15.891 37.769 1.00 22.74 C ATOM 2416 O LEU A 624 4.862 15.218 38.716 1.00 22.93 O ATOM 2417 CB LEU A 624 7.681 16.763 37.860 1.00 20.00 C ATOM 2418 CG LEU A 624 7.738 16.845 39.405 1.00 26.70 C ATOM 2419 CD1 LEU A 624 8.274 15.549 40.023 1.00 26.74 C ATOM 2420 CD2 LEU A 624 8.556 18.043 39.867 1.00 30.82 C ATOM 2421 H LEU A 624 7.383 16.395 35.296 1.00 0.00 H ATOM 2422 N ARG A 625 4.537 16.775 37.103 1.00 20.47 N ATOM 2423 CA ARG A 625 3.135 17.012 37.491 1.00 21.33 C ATOM 2424 C ARG A 625 2.298 15.745 37.294 1.00 22.26 C ATOM 2425 O ARG A 625 1.498 15.384 38.173 1.00 20.81 O ATOM 2426 CB ARG A 625 2.528 18.177 36.694 1.00 22.61 C ATOM 2427 CG ARG A 625 1.330 18.806 37.399 1.00 41.40 C ATOM 2428 CD ARG A 625 1.144 20.264 37.048 1.00 55.79 C ATOM 2429 NE ARG A 625 -0.205 20.713 37.390 1.00 68.48 N ATOM 2430 CZ ARG A 625 -0.675 21.936 37.171 1.00 85.93 C ATOM 2431 NH1 ARG A 625 0.098 22.864 36.624 1.00 76.75 N ATOM 2432 NH2 ARG A 625 -1.920 22.245 37.510 1.00 73.65 N ATOM 2433 HE ARG A 625 -0.843 20.024 37.837 1.00 0.00 H ATOM 2434 HH12 ARG A 625 -0.276 23.819 36.455 1.00 0.00 H ATOM 2435 HH11 ARG A 625 1.079 22.636 36.364 1.00 0.00 H ATOM 2436 HH22 ARG A 625 -2.283 23.204 37.337 1.00 0.00 H ATOM 2437 HH21 ARG A 625 -2.532 21.528 37.949 1.00 0.00 H ATOM 2438 H ARG A 625 4.944 17.300 36.302 1.00 0.00 H ATOM 2439 N LEU A 626 2.494 15.073 36.153 1.00 18.10 N ATOM 2440 CA LEU A 626 1.793 13.843 35.811 1.00 17.19 C ATOM 2441 C LEU A 626 2.163 12.720 36.762 1.00 21.95 C ATOM 2442 O LEU A 626 1.291 11.977 37.209 1.00 21.90 O ATOM 2443 CB LEU A 626 2.093 13.403 34.358 1.00 16.36 C ATOM 2444 CG LEU A 626 1.031 13.727 33.355 1.00 19.37 C ATOM 2445 CD1 LEU A 626 1.508 13.462 31.948 1.00 17.85 C ATOM 2446 CD2 LEU A 626 -0.303 13.039 33.678 1.00 21.01 C ATOM 2447 H LEU A 626 3.185 15.450 35.473 1.00 0.00 H ATOM 2448 N ARG A 627 3.462 12.598 37.073 1.00 17.31 N ATOM 2449 CA ARG A 627 3.975 11.563 37.968 1.00 17.33 C ATOM 2450 C ARG A 627 3.311 11.693 39.344 1.00 22.26 C ATOM 2451 O ARG A 627 2.782 10.712 39.869 1.00 22.51 O ATOM 2452 CB ARG A 627 5.493 11.722 38.105 1.00 19.72 C ATOM 2453 CG ARG A 627 6.207 10.534 38.759 1.00 25.50 C ATOM 2454 CD ARG A 627 7.495 10.969 39.449 1.00 26.55 C ATOM 2455 NE ARG A 627 8.420 11.624 38.520 1.00 30.03 N ATOM 2456 CZ ARG A 627 9.522 12.276 38.878 1.00 45.20 C ATOM 2457 NH1 ARG A 627 9.872 12.353 40.156 1.00 35.20 N ATOM 2458 NH2 ARG A 627 10.289 12.848 37.958 1.00 27.27 N ATOM 2459 HE ARG A 627 8.198 11.575 37.505 1.00 0.00 H ATOM 2460 HH12 ARG A 627 10.735 12.865 40.429 1.00 0.00 H ATOM 2461 HH11 ARG A 627 9.283 11.902 40.885 1.00 0.00 H ATOM 2462 HH22 ARG A 627 11.150 13.357 38.242 1.00 0.00 H ATOM 2463 HH21 ARG A 627 10.029 12.787 36.953 1.00 0.00 H ATOM 2464 H ARG A 627 4.136 13.272 36.657 1.00 0.00 H ATOM 2465 N ASN A 628 3.321 12.908 39.908 1.00 20.87 N ATOM 2466 CA ASN A 628 2.745 13.183 41.227 1.00 21.35 C ATOM 2467 C ASN A 628 1.250 12.927 41.282 1.00 24.53 C ATOM 2468 O ASN A 628 0.763 12.355 42.263 1.00 24.95 O ATOM 2469 CB ASN A 628 3.080 14.598 41.682 1.00 22.57 C ATOM 2470 CG ASN A 628 4.536 14.776 42.052 1.00 34.88 C ATOM 2471 OD1 ASN A 628 5.239 13.819 42.379 1.00 27.30 O ATOM 2472 ND2 ASN A 628 5.013 16.013 42.052 1.00 30.11 N ATOM 2473 HD22 ASN A 628 4.401 16.806 41.772 1.00 0.00 H ATOM 2474 HD21 ASN A 628 5.999 16.190 42.332 1.00 0.00 H ATOM 2475 H ASN A 628 3.758 13.693 39.385 1.00 0.00 H ATOM 2476 N TYR A 629 0.522 13.314 40.222 1.00 18.83 N ATOM 2477 CA TYR A 629 -0.922 13.073 40.194 1.00 18.30 C ATOM 2478 C TYR A 629 -1.191 11.577 40.065 1.00 20.04 C ATOM 2479 O TYR A 629 -2.095 11.069 40.743 1.00 21.45 O ATOM 2480 CB TYR A 629 -1.642 13.851 39.055 1.00 19.57 C ATOM 2481 CG TYR A 629 -3.150 13.743 39.176 1.00 20.94 C ATOM 2482 CD1 TYR A 629 -3.815 14.223 40.302 1.00 24.26 C ATOM 2483 CD2 TYR A 629 -3.908 13.114 38.190 1.00 21.90 C ATOM 2484 CE1 TYR A 629 -5.193 14.078 40.447 1.00 26.91 C ATOM 2485 CE2 TYR A 629 -5.295 12.977 38.320 1.00 23.43 C ATOM 2486 CZ TYR A 629 -5.929 13.452 39.455 1.00 30.62 C ATOM 2487 OH TYR A 629 -7.288 13.301 39.623 1.00 33.00 O ATOM 2488 HH TYR A 629 -7.559 13.700 40.488 1.00 0.00 H ATOM 2489 H TYR A 629 0.985 13.786 39.419 1.00 0.00 H ATOM 2490 N TYR A 630 -0.422 10.871 39.225 1.00 15.98 N ATOM 2491 CA TYR A 630 -0.588 9.428 39.062 1.00 15.11 C ATOM 2492 C TYR A 630 -0.400 8.712 40.416 1.00 21.06 C ATOM 2493 O TYR A 630 -1.235 7.887 40.787 1.00 21.85 O ATOM 2494 CB TYR A 630 0.350 8.849 37.983 1.00 16.01 C ATOM 2495 CG TYR A 630 0.159 7.361 37.776 1.00 19.55 C ATOM 2496 CD1 TYR A 630 -1.078 6.840 37.395 1.00 20.74 C ATOM 2497 CD2 TYR A 630 1.204 6.469 37.990 1.00 22.10 C ATOM 2498 CE1 TYR A 630 -1.265 5.467 37.231 1.00 20.19 C ATOM 2499 CE2 TYR A 630 1.026 5.092 37.836 1.00 23.55 C ATOM 2500 CZ TYR A 630 -0.209 4.599 37.452 1.00 27.18 C ATOM 2501 OH TYR A 630 -0.384 3.246 37.295 1.00 28.56 O ATOM 2502 HH TYR A 630 -1.318 3.065 37.020 1.00 0.00 H ATOM 2503 H TYR A 630 0.311 11.362 38.675 1.00 0.00 H ATOM 2504 N TYR A 631 0.644 9.090 41.198 1.00 20.98 N ATOM 2505 CA TYR A 631 0.834 8.481 42.529 1.00 22.88 C ATOM 2506 C TYR A 631 -0.336 8.756 43.478 1.00 29.13 C ATOM 2507 O TYR A 631 -0.710 7.866 44.262 1.00 28.90 O ATOM 2508 CB TYR A 631 2.161 8.919 43.175 1.00 25.50 C ATOM 2509 CG TYR A 631 3.404 8.547 42.398 1.00 28.28 C ATOM 2510 CD1 TYR A 631 3.407 7.470 41.515 1.00 28.70 C ATOM 2511 CD2 TYR A 631 4.597 9.239 42.583 1.00 30.89 C ATOM 2512 CE1 TYR A 631 4.537 7.154 40.764 1.00 29.64 C ATOM 2513 CE2 TYR A 631 5.749 8.893 41.883 1.00 31.75 C ATOM 2514 CZ TYR A 631 5.716 7.846 40.978 1.00 37.65 C ATOM 2515 OH TYR A 631 6.850 7.523 40.269 1.00 37.38 O ATOM 2516 HH TYR A 631 6.657 6.758 39.671 1.00 0.00 H ATOM 2517 H TYR A 631 1.312 9.811 40.858 1.00 0.00 H ATOM 2518 N ASP A 632 -0.952 9.968 43.374 1.00 26.21 N ATOM 2519 CA ASP A 632 -2.120 10.365 44.172 1.00 26.68 C ATOM 2520 C ASP A 632 -3.310 9.457 43.854 1.00 30.04 C ATOM 2521 O ASP A 632 -4.005 9.012 44.769 1.00 30.13 O ATOM 2522 CB ASP A 632 -2.501 11.830 43.896 1.00 28.40 C ATOM 2523 CG ASP A 632 -1.563 12.877 44.467 1.00 46.17 C ATOM 2524 OD1 ASP A 632 -0.671 12.509 45.258 1.00 48.88 O ATOM 2525 OD2 ASP A 632 -1.745 14.075 44.148 1.00 53.35 O ATOM 2526 H ASP A 632 -0.572 10.652 42.689 1.00 0.00 H ATOM 2527 N VAL A 633 -3.532 9.178 42.555 1.00 25.85 N ATOM 2528 CA VAL A 633 -4.615 8.302 42.098 1.00 26.19 C ATOM 2529 C VAL A 633 -4.335 6.850 42.515 1.00 30.63 C ATOM 2530 O VAL A 633 -5.250 6.167 42.973 1.00 32.15 O ATOM 2531 CB VAL A 633 -4.879 8.444 40.570 1.00 29.63 C ATOM 2532 CG1 VAL A 633 -5.979 7.488 40.110 1.00 30.05 C ATOM 2533 CG2 VAL A 633 -5.249 9.879 40.221 1.00 28.78 C ATOM 2534 H VAL A 633 -2.905 9.604 41.843 1.00 0.00 H ATOM 2535 N VAL A 634 -3.070 6.401 42.415 1.00 26.21 N ATOM 2536 CA VAL A 634 -2.658 5.047 42.833 1.00 26.70 C ATOM 2537 C VAL A 634 -2.981 4.893 44.335 1.00 34.78 C ATOM 2538 O VAL A 634 -3.504 3.844 44.741 1.00 35.13 O ATOM 2539 CB VAL A 634 -1.178 4.740 42.449 1.00 29.77 C ATOM 2540 CG1 VAL A 634 -0.619 3.518 43.189 1.00 31.23 C ATOM 2541 CG2 VAL A 634 -1.040 4.542 40.942 1.00 27.88 C ATOM 2542 H VAL A 634 -2.348 7.039 42.024 1.00 0.00 H ATOM 2543 N ASN A 635 -2.767 5.982 45.123 1.00 32.68 N ATOM 2544 CA ASN A 635 -3.099 6.053 46.559 1.00 35.64 C ATOM 2545 C ASN A 635 -4.608 5.993 46.799 1.00 44.54 C ATOM 2546 O ASN A 635 -5.040 5.311 47.731 1.00 46.84 O ATOM 2547 CB ASN A 635 -2.521 7.325 47.209 1.00 35.49 C ATOM 2548 CG ASN A 635 -2.580 7.331 48.725 1.00 54.52 C ATOM 2549 OD1 ASN A 635 -2.726 6.294 49.377 1.00 50.80 O ATOM 2550 ND2 ASN A 635 -2.441 8.501 49.326 1.00 46.41 N ATOM 2551 HD22 ASN A 635 -2.319 9.365 48.760 1.00 0.00 H ATOM 2552 HD21 ASN A 635 -2.454 8.557 50.364 1.00 0.00 H ATOM 2553 H ASN A 635 -2.340 6.822 44.683 1.00 0.00 H ATOM 2554 N HIS A 636 -5.406 6.719 45.984 1.00 43.10 N ATOM 2555 CA HIS A 636 -6.872 6.740 46.096 1.00 44.16 C ATOM 2556 C HIS A 636 -7.467 5.359 45.786 1.00 49.68 C ATOM 2557 O HIS A 636 -8.424 4.948 46.444 1.00 50.94 O ATOM 2558 CB HIS A 636 -7.487 7.815 45.188 1.00 43.91 C ATOM 2559 H HIS A 636 -4.960 7.292 45.240 1.00 0.00 H ATOM 2560 N HIS A 637 -6.869 4.637 44.817 1.00 45.14 N ATOM 2561 CA HIS A 637 -7.286 3.294 44.408 1.00 45.23 C ATOM 2562 C HIS A 637 -7.124 2.252 45.527 1.00 50.13 C ATOM 2563 O HIS A 637 -8.098 1.569 45.843 1.00 51.20 O ATOM 2564 CB HIS A 637 -6.553 2.857 43.128 1.00 44.95 C ATOM 2565 H HIS A 637 -6.057 5.063 44.327 1.00 0.00 H ATOM 2566 N HIS A 638 -5.912 2.145 46.133 1.00 46.19 N ATOM 2567 CA HIS A 638 -5.598 1.194 47.215 1.00 52.11 C ATOM 2568 C HIS A 638 -6.494 1.366 48.442 1.00 88.73 C ATOM 2569 O HIS A 638 -6.751 2.491 48.861 1.00 58.54 O ATOM 2570 CB HIS A 638 -4.124 1.294 47.641 1.00 52.54 C ATOM 2571 CG HIS A 638 -3.139 0.847 46.605 1.00 54.32 C ATOM 2572 ND1 HIS A 638 -3.226 -0.401 46.011 1.00 55.57 N ATOM 2573 CD2 HIS A 638 -2.033 1.474 46.143 1.00 54.91 C ATOM 2574 CE1 HIS A 638 -2.201 -0.472 45.177 1.00 53.93 C ATOM 2575 NE2 HIS A 638 -1.457 0.634 45.222 1.00 53.82 N ATOM 2576 H HIS A 638 -5.153 2.779 45.811 1.00 0.00 H TER 2577 HIS A 638 HETATM 2578 O HOH 1 11.197 17.279 22.177 1.00 12.11 O HETATM 2579 O HOH 2 3.511 21.933 18.189 1.00 15.24 O HETATM 2580 O HOH 3 7.671 12.759 13.476 1.00 11.29 O HETATM 2581 O HOH 4 6.588 9.237 11.052 1.00 15.61 O HETATM 2582 O HOH 5 -4.668 26.974 27.872 1.00 15.10 O HETATM 2583 O HOH 6 -3.860 22.960 18.809 1.00 11.00 O HETATM 2584 O HOH 7 14.099 3.251 22.464 1.00 15.80 O HETATM 2585 O HOH 8 21.515 19.665 20.119 1.00 16.96 O HETATM 2586 O HOH 9 -5.024 0.172 18.235 1.00 13.89 O HETATM 2587 O HOH 10 -15.034 22.383 29.892 1.00 21.58 O HETATM 2588 O HOH 11 -4.046 11.243 16.685 1.00 11.40 O HETATM 2589 O HOH 12 -7.361 23.664 22.911 1.00 12.17 O HETATM 2590 O HOH 13 17.966 28.843 20.300 1.00 29.51 O HETATM 2591 O HOH 14 21.358 19.057 13.669 1.00 20.63 O HETATM 2592 O HOH 15 -14.467 11.416 27.548 1.00 18.87 O HETATM 2593 O HOH 16 18.353 23.221 15.265 1.00 17.00 O HETATM 2594 O HOH 17 -14.122 15.278 24.547 1.00 19.74 O HETATM 2595 O HOH 18 2.038 -11.584 17.751 1.00 14.74 O HETATM 2596 O HOH 19 4.211 -13.033 16.957 1.00 19.99 O HETATM 2597 O HOH 20 12.360 7.345 30.944 1.00 24.31 O HETATM 2598 O HOH 21 2.772 1.369 35.332 1.00 27.58 O HETATM 2599 O HOH 22 16.595 6.323 28.416 1.00 24.37 O HETATM 2600 O HOH 23 -4.556 18.955 11.676 1.00 18.03 O HETATM 2601 O HOH 24 19.866 -11.834 13.393 1.00 33.44 O HETATM 2602 O HOH 25 -13.320 17.802 19.002 1.00 23.34 O HETATM 2603 O HOH 26 15.454 15.272 8.237 1.00 23.00 O HETATM 2604 O HOH 27 2.909 5.821 34.305 1.00 20.87 O HETATM 2605 O HOH 28 -5.432 11.191 14.247 1.00 20.26 O HETATM 2606 O HOH 29 -5.695 -3.601 19.542 1.00 27.50 O HETATM 2607 O HOH 30 3.988 31.035 20.870 1.00 16.85 O HETATM 2608 O HOH 31 -3.100 24.355 16.525 1.00 17.15 O HETATM 2609 O HOH 32 16.011 2.468 18.213 1.00 20.99 O HETATM 2610 O HOH 33 15.899 14.186 10.713 1.00 24.83 O HETATM 2611 O HOH 34 0.592 16.974 40.302 1.00 30.17 O HETATM 2612 O HOH 35 -3.540 3.678 9.106 1.00 29.63 O HETATM 2613 O HOH 36 -4.236 32.412 23.897 1.00 19.77 O HETATM 2614 O HOH 37 0.935 32.761 27.254 1.00 19.72 O HETATM 2615 O HOH 38 13.893 22.749 22.497 1.00 17.34 O HETATM 2616 O HOH 39 10.471 15.487 35.678 1.00 22.30 O HETATM 2617 O HOH 40 9.210 26.714 19.183 1.00 29.69 O HETATM 2618 O HOH 41 25.184 22.345 22.934 1.00 20.84 O HETATM 2619 O HOH 42 13.462 14.102 6.463 1.00 23.30 O HETATM 2620 O HOH 43 5.541 11.823 11.392 1.00 17.16 O HETATM 2621 O HOH 44 12.217 10.210 31.224 1.00 20.71 O HETATM 2622 O HOH 45 12.158 23.905 24.244 1.00 16.57 O HETATM 2623 O HOH 46 -12.877 5.869 34.650 1.00 28.56 O HETATM 2624 O HOH 47 8.602 -12.183 3.549 1.00 29.98 O HETATM 2625 O HOH 48 17.659 15.948 12.009 1.00 21.63 O HETATM 2626 O HOH 49 10.613 21.738 32.587 1.00 24.18 O HETATM 2627 O HOH 50 16.866 25.080 12.061 1.00 24.31 O HETATM 2628 O HOH 51 -2.923 -5.603 27.928 1.00 19.51 O HETATM 2629 O HOH 52 -7.799 11.001 18.664 1.00 20.51 O HETATM 2630 O HOH 53 -18.781 13.488 21.364 1.00 24.69 O HETATM 2631 O HOH 54 3.281 -5.602 22.223 1.00 21.09 O HETATM 2632 O HOH 55 19.107 -6.129 0.979 1.00 29.12 O HETATM 2633 O HOH 56 -15.796 13.922 26.131 1.00 30.78 O HETATM 2634 O HOH 57 22.251 16.695 12.688 1.00 32.78 O HETATM 2635 O HOH 58 -7.343 25.844 6.996 1.00 31.43 O HETATM 2636 O HOH 59 13.794 -16.329 7.752 1.00 35.50 O HETATM 2637 O HOH 60 5.688 11.880 8.539 1.00 30.18 O HETATM 2638 O HOH 61 -13.612 11.880 16.135 1.00 32.77 O HETATM 2639 O HOH 62 -15.731 0.053 23.823 1.00 28.75 O HETATM 2640 O HOH 63 8.961 -6.784 19.161 1.00 21.41 O HETATM 2641 O HOH 64 17.412 1.681 20.689 1.00 39.65 O HETATM 2642 O HOH 65 17.745 12.193 10.542 1.00 26.36 O HETATM 2643 O HOH 66 -11.961 11.080 30.454 1.00 18.82 O HETATM 2644 O HOH 67 12.386 12.064 7.922 1.00 22.01 O HETATM 2645 O HOH 68 25.458 19.820 22.147 1.00 22.68 O HETATM 2646 O HOH 69 12.357 14.835 9.517 1.00 27.90 O HETATM 2647 O HOH 70 -12.135 16.130 38.780 1.00 28.21 O HETATM 2648 O HOH 71 -3.674 25.281 34.134 1.00 27.80 O HETATM 2649 O HOH 72 -11.673 8.674 31.724 1.00 24.79 O HETATM 2650 O HOH 73 20.671 -9.986 11.515 1.00 33.56 O HETATM 2651 O HOH 74 12.041 22.500 26.776 1.00 24.98 O HETATM 2652 O HOH 75 -8.549 0.294 32.523 1.00 18.86 O HETATM 2653 O HOH 76 3.827 32.685 18.462 1.00 25.99 O HETATM 2654 O HOH 77 26.175 29.827 17.293 1.00 27.52 O HETATM 2655 O HOH 78 -3.193 30.951 17.128 1.00 19.54 O HETATM 2656 O HOH 79 2.103 34.633 17.794 1.00 30.06 O HETATM 2657 O HOH 80 9.469 24.279 32.511 1.00 24.90 O HETATM 2658 O HOH 81 13.468 12.198 10.583 1.00 33.66 O HETATM 2659 O HOH 82 -0.181 -1.161 35.572 1.00 30.37 O HETATM 2660 O HOH 83 19.681 12.099 26.549 1.00 26.58 O HETATM 2661 O HOH 84 6.791 8.032 8.620 1.00 34.41 O HETATM 2662 O HOH 85 -8.252 9.957 16.187 1.00 22.52 O HETATM 2663 O HOH 86 -3.259 26.800 15.129 1.00 33.94 O HETATM 2664 O HOH 87 -15.150 16.112 20.026 1.00 29.08 O HETATM 2665 O HOH 88 6.024 20.391 37.648 1.00 29.57 O HETATM 2666 O HOH 89 11.501 25.759 31.092 1.00 41.12 O HETATM 2667 O HOH 90 8.179 24.972 34.808 1.00 41.62 O HETATM 2668 O HOH 91 -16.383 18.246 21.027 1.00 27.69 O HETATM 2669 O HOH 92 8.490 21.494 38.125 1.00 38.35 O HETATM 2670 O HOH 93 0.943 -7.751 8.299 1.00 30.51 O HETATM 2671 O HOH 94 -5.015 -3.935 16.048 1.00 33.05 O HETATM 2672 O HOH 95 -5.070 -5.123 13.328 1.00 51.59 O HETATM 2673 O HOH 96 -0.585 21.644 6.436 1.00 42.91 O HETATM 2674 O HOH 97 -1.843 33.257 16.643 1.00 23.53 O HETATM 2675 O HOH 98 5.876 20.345 17.201 1.00 26.98 O HETATM 2676 O HOH 99 8.481 20.392 17.997 1.00 19.60 O HETATM 2677 O HOH 100 4.750 17.584 17.963 1.00 13.74 O HETATM 2678 O HOH 101 11.801 16.731 37.718 1.00 46.29 O HETATM 2679 O HOH 102 10.596 20.272 36.902 1.00 36.27 O HETATM 2680 O HOH 103 4.866 19.816 40.036 1.00 38.53 O HETATM 2681 O HOH 104 12.279 20.827 30.707 1.00 29.61 O HETATM 2682 O HOH 105 20.240 17.886 27.728 1.00 43.33 O HETATM 2683 O HOH 106 14.833 10.918 31.032 1.00 33.95 O HETATM 2684 O HOH 107 20.328 7.609 25.282 1.00 29.70 O HETATM 2685 O HOH 108 11.897 0.805 23.904 1.00 26.91 O HETATM 2686 O HOH 109 14.262 4.084 19.859 1.00 19.43 O HETATM 2687 O HOH 110 -2.110 -6.021 30.519 1.00 33.67 O HETATM 2688 O HOH 111 2.436 -4.055 30.684 1.00 28.45 O HETATM 2689 O HOH 112 -7.597 37.278 16.805 1.00 40.70 O HETATM 2690 O HOH 113 -15.449 24.033 9.300 1.00 33.43 O HETATM 2691 O HOH 114 -10.480 17.311 13.722 1.00 26.36 O HETATM 2692 O HOH 115 -12.486 2.707 15.907 1.00 40.90 O HETATM 2693 O HOH 116 -3.876 -5.587 17.867 1.00 31.32 O HETATM 2694 O HOH 117 -5.352 -0.989 15.793 1.00 34.76 O HETATM 2695 O HOH 118 17.495 20.521 13.258 1.00 30.89 O HETATM 2696 O HOH 119 -0.555 -9.462 9.886 1.00 34.58 O HETATM 2697 O HOH 120 -4.926 -2.961 11.690 1.00 33.74 O HETATM 2698 O HOH 121 19.367 12.573 8.464 1.00 36.54 O HETATM 2699 O HOH 122 17.870 14.847 7.028 1.00 39.65 O HETATM 2700 O HOH 123 17.932 18.878 10.787 1.00 37.24 O HETATM 2701 O HOH 124 27.403 29.972 14.884 1.00 47.84 O HETATM 2702 O HOH 125 -8.416 15.675 12.790 1.00 37.36 O HETATM 2703 O HOH 126 -2.639 19.408 37.536 1.00 36.99 O HETATM 2704 O HOH 127 14.829 13.797 4.125 1.00 33.77 O HETATM 2705 O HOH 128 -16.578 17.843 30.985 1.00 31.76 O HETATM 2706 O HOH 129 -18.867 16.728 30.024 1.00 41.01 O HETATM 2707 O HOH 130 13.491 -18.045 11.462 1.00 40.12 O HETATM 2708 O HOH 131 11.972 -14.781 9.421 1.00 26.08 O HETATM 2709 O HOH 132 9.972 4.269 34.231 1.00 37.02 O HETATM 2710 O HOH 133 11.280 10.036 33.874 1.00 38.11 O HETATM 2711 O HOH 134 3.059 18.230 41.306 1.00 33.88 O HETATM 2712 O HOH 135 0.007 -12.978 13.695 1.00 34.50 O HETATM 2713 O HOH 136 14.955 16.660 32.169 1.00 37.58 O HETATM 2714 O HOH 137 -6.627 -5.406 25.080 1.00 41.73 O HETATM 2715 O HOH 138 -13.817 8.271 33.512 1.00 39.92 O HETATM 2716 O HOH 139 17.261 -20.343 17.319 1.00 46.86 O HETATM 2717 O HOH 140 17.545 13.653 4.373 1.00 37.19 O HETATM 2718 O HOH 141 0.826 15.739 15.335 1.00 28.79 O HETATM 2719 O HOH 142 -9.143 35.197 16.053 1.00 30.83 O HETATM 2720 O HOH 143 -6.794 32.017 10.793 1.00 33.82 O HETATM 2721 O HOH 144 1.642 14.236 9.886 1.00 31.21 O HETATM 2722 O HOH 145 14.674 20.803 32.022 1.00 45.15 O HETATM 2723 O HOH 146 1.975 12.295 44.808 1.00 37.44 O HETATM 2724 O HOH 147 -9.069 -3.735 20.871 1.00 34.68 O HETATM 2725 O HOH 148 12.632 -14.062 3.691 1.00 36.80 O HETATM 2726 O HOH 149 1.348 29.056 8.796 1.00 37.62 O HETATM 2727 O HOH 150 -3.278 1.967 35.841 1.00 35.21 O HETATM 2728 O HOH 151 -5.397 0.317 35.837 1.00 40.71 O HETATM 2729 O HOH 152 -5.805 8.760 13.085 1.00 38.40 O HETATM 2730 O HOH 153 20.220 15.376 11.465 1.00 35.67 O HETATM 2731 O HOH 154 3.440 -0.945 32.928 1.00 39.03 O HETATM 2732 O HOH 155 -7.899 1.070 36.513 1.00 34.22 O HETATM 2733 O HOH 156 10.547 32.830 12.057 1.00 33.73 O HETATM 2734 O HOH 157 -3.920 -6.599 32.632 1.00 39.60 O HETATM 2735 O HOH 158 -14.287 7.304 21.011 1.00 32.72 O HETATM 2736 O HOH 159 17.291 19.740 27.017 1.00 36.81 O HETATM 2737 O HOH 160 6.943 -6.578 20.998 1.00 40.87 O HETATM 2738 O HOH 161 18.360 22.832 12.241 1.00 35.84 O HETATM 2739 O HOH 162 -3.541 28.570 10.344 1.00 32.79 O HETATM 2740 O HOH 163 4.193 3.491 34.503 1.00 29.05 O HETATM 2741 O HOH 164 12.515 5.338 32.764 1.00 49.26 O HETATM 2742 O HOH 165 18.163 11.000 4.439 1.00 27.67 O HETATM 2743 O HOH 166 18.067 -2.057 17.767 1.00 38.95 O HETATM 2744 O HOH 167 23.511 29.966 20.553 1.00 39.94 O HETATM 2745 O HOH 168 20.445 20.105 11.350 1.00 46.80 O HETATM 2746 O HOH 169 -8.144 22.405 7.420 1.00 38.51 O HETATM 2747 O HOH 170 -15.856 5.127 19.693 1.00 48.31 O HETATM 2748 O HOH 171 -6.587 17.150 11.417 1.00 27.64 O HETATM 2749 O HOH 172 16.038 1.918 27.162 1.00 34.07 O HETATM 2750 O HOH 173 -8.432 18.384 9.823 1.00 44.65 O HETATM 2751 O HOH 174 1.418 10.076 7.004 1.00 43.63 O HETATM 2752 O HOH 175 10.243 29.191 19.424 1.00 39.40 O HETATM 2753 O HOH 176 -18.774 10.821 21.813 1.00 52.86 O HETATM 2754 O HOH 177 9.210 31.640 18.788 1.00 41.34 O HETATM 2755 O HOH 178 13.768 16.856 29.739 1.00 32.65 O HETATM 2756 O HOH 179 -3.696 2.977 11.744 1.00 38.41 O HETATM 2757 O HOH 180 19.244 -8.314 2.580 1.00 33.74 O HETATM 2758 O HOH 181 -15.296 14.373 22.075 1.00 47.67 O HETATM 2759 O HOH 182 8.155 -4.685 22.556 1.00 47.14 O HETATM 2760 O HOH 183 -4.625 -7.323 24.806 1.00 40.86 O HETATM 2761 O HOH 184 15.172 20.090 23.461 1.00 23.40 O HETATM 2762 O HOH 185 15.095 22.028 26.513 1.00 39.79 O HETATM 2763 O HOH 186 9.210 5.823 13.513 1.00 29.25 O HETATM 2764 O HOH 187 1.956 -14.154 15.176 1.00 40.42 O HETATM 2765 O HOH 188 12.521 -20.217 10.106 1.00 48.28 O HETATM 2766 O HOH 189 16.948 19.246 8.276 1.00 46.44 O HETATM 2767 O HOH 190 -11.555 4.664 38.081 1.00 59.52 O HETATM 2768 O HOH 191 8.080 11.770 6.928 1.00 42.59 O HETATM 2769 O HOH 192 15.640 -18.011 8.795 1.00 50.00 O HETATM 2770 O HOH 193 -13.047 16.575 12.871 1.00 36.49 O HETATM 2771 O HOH 194 -4.373 5.465 13.891 1.00 30.96 O HETATM 2772 O HOH 195 -4.656 34.750 22.600 1.00 39.42 O HETATM 2773 O HOH 196 11.664 28.476 26.438 1.00 41.38 O HETATM 2774 O HOH 197 -17.797 13.346 15.696 1.00 54.57 O HETATM 2775 O HOH 198 3.999 -0.163 0.933 1.00 39.02 O HETATM 2776 O HOH 199 -0.428 15.947 42.677 1.00 47.67 O HETATM 2777 O HOH 200 22.082 17.075 23.356 1.00 42.13 O HETATM 2778 O HOH 201 20.363 -18.463 16.306 1.00 65.54 O HETATM 2779 O HOH 202 22.725 -12.423 8.020 1.00 41.35 O HETATM 2780 O HOH 203 9.595 8.937 6.814 1.00 40.62 O HETATM 2781 O HOH 204 9.949 9.366 36.160 1.00 36.85 O HETATM 2782 O HOH 205 6.939 13.480 0.772 1.00 45.79 O HETATM 2783 O HOH 206 21.238 6.566 22.720 1.00 39.63 O HETATM 2784 O HOH 207 17.888 26.221 14.294 1.00 37.71 O HETATM 2785 O HOH 208 18.206 -13.620 20.728 1.00 32.05 O HETATM 2786 O HOH 209 0.415 -5.713 31.743 1.00 49.62 O HETATM 2787 O HOH 210 -17.799 21.635 9.971 1.00 37.21 O HETATM 2788 O HOH 211 14.284 0.216 26.005 1.00 42.53 O HETATM 2789 O HOH 212 -16.055 1.004 21.300 1.00 40.24 O HETATM 2790 O HOH 213 7.940 19.865 7.773 1.00 39.38 O HETATM 2791 O HOH 214 17.984 21.802 8.266 1.00 55.50 O HETATM 2792 O HOH 215 20.416 28.893 21.665 1.00 40.00 O HETATM 2793 O HOH 216 -14.214 14.873 17.776 1.00 35.71 O HETATM 2794 O HOH 217 -5.848 -4.528 32.861 1.00 44.52 O HETATM 2795 O HOH 218 -12.980 13.320 38.257 1.00 50.36 O HETATM 2796 O HOH 219 15.801 1.081 23.381 1.00 39.47 O HETATM 2797 O HOH 220 -12.461 19.555 20.532 1.00 30.49 O HETATM 2798 O HOH 221 21.114 9.707 26.859 1.00 37.59 O HETATM 2799 O HOH 222 18.739 11.935 29.103 1.00 32.22 O HETATM 2800 O HOH 223 21.587 13.903 25.500 1.00 30.14 O HETATM 2801 O HOH 224 -7.433 12.604 15.311 1.00 42.10 O HETATM 2802 O HOH 225 8.885 8.301 4.245 1.00 37.12 O HETATM 2803 O HOH 226 -7.411 -2.955 9.963 1.00 59.13 O HETATM 2804 O HOH 227 17.833 22.373 22.804 1.00 42.45 O HETATM 2805 C1 UNN A 228 0.404 4.576 10.266 1.00 -0.05 C HETATM 2806 C2 UNN A 228 -0.606 5.166 11.246 1.00 -0.05 C HETATM 2807 C3 UNN A 228 -0.578 4.463 12.586 1.00 -0.01 C HETATM 2808 C4 UNN A 228 0.806 4.447 13.210 1.00 -0.00 C HETATM 2809 C5 UNN A 228 1.767 3.777 12.200 1.00 0.09 C HETATM 2810 C6 UNN A 228 1.778 4.575 10.896 1.00 -0.02 C HETATM 2811 H13 UNN A 228 2.080 5.611 11.108 1.00 0.03 H HETATM 2812 H14 UNN A 228 2.496 4.119 10.198 1.00 0.03 H HETATM 2813 N7 UNN A 228 3.075 3.696 12.739 1.00 -0.28 N HETATM 2814 C17 UNN A 228 3.490 2.672 13.459 1.00 0.16 C HETATM 2815 N16 UNN A 228 4.651 2.678 14.091 1.00 -0.26 N HETATM 2816 N15 UNN A 228 5.055 1.661 14.830 1.00 -0.21 N HETATM 2817 C14 UNN A 228 4.270 0.571 14.943 1.00 0.22 C HETATM 2818 C19 UNN A 228 3.061 0.546 14.294 1.00 0.21 C HETATM 2819 N13 UNN A 228 2.217 -0.493 14.430 1.00 -0.23 N HETATM 2820 C9 UNN A 228 0.917 -0.556 14.072 1.00 0.10 C HETATM 2821 C22 UNN A 228 0.118 -1.567 14.671 1.00 0.10 C HETATM 2822 C23 UNN A 228 -1.209 -1.765 14.379 1.00 -0.03 C HETATM 2823 C12 UNN A 228 -1.866 -0.965 13.460 1.00 -0.09 C HETATM 2824 C11 UNN A 228 -1.094 0.041 12.848 1.00 -0.09 C HETATM 2825 C10 UNN A 228 0.271 0.217 13.125 1.00 -0.05 C HETATM 2826 H19 UNN A 228 0.829 0.974 12.586 1.00 0.05 H HETATM 2827 H7 UNN A 228 -1.572 0.705 12.136 1.00 0.05 H HETATM 2828 H8 UNN A 228 -2.915 -1.105 13.225 1.00 0.04 H HETATM 2829 C24 UNN A 228 -1.573 -2.937 15.271 1.00 -0.07 C HETATM 2830 C25 UNN A 228 -0.473 -3.220 15.946 1.00 0.02 C HETATM 2831 N26 UNN A 228 0.496 -2.430 15.586 1.00 -0.28 N HETATM 2832 H21 UNN A 228 1.449 -2.476 15.974 1.00 0.23 H HETATM 2833 H10 UNN A 228 -0.389 -4.004 16.698 1.00 0.09 H HETATM 2834 H9 UNN A 228 -2.537 -3.439 15.340 1.00 0.03 H HETATM 2835 H20 UNN A 228 2.610 -1.343 14.859 1.00 0.23 H HETATM 2836 N18 UNN A 228 2.702 1.604 13.583 1.00 -0.22 N HETATM 2837 C20 UNN A 228 4.763 -0.562 15.787 1.00 0.25 C HETATM 2838 O21 UNN A 228 4.055 -1.447 16.068 1.00 -0.37 O HETATM 2839 N27 UNN A 228 6.002 -0.485 16.174 1.00 -0.29 N HETATM 2840 H22 UNN A 228 6.395 -1.209 16.741 1.00 0.18 H HETATM 2841 H23 UNN A 228 6.562 0.298 15.905 1.00 0.18 H HETATM 2842 H15 UNN A 228 3.730 4.471 12.561 1.00 0.19 H HETATM 2843 H12 UNN A 228 1.408 2.758 11.991 1.00 0.06 H HETATM 2844 N8 UNN A 228 1.205 5.829 13.536 1.00 0.22 N HETATM 2845 H16 UNN A 228 0.551 6.221 14.195 1.00 0.20 H HETATM 2846 H17 UNN A 228 1.209 6.385 12.695 1.00 0.20 H HETATM 2847 H18 UNN A 228 2.128 5.826 13.941 1.00 0.20 H HETATM 2848 H11 UNN A 228 0.789 3.855 14.137 1.00 0.09 H HETATM 2849 H5 UNN A 228 -0.913 3.425 12.446 1.00 0.03 H HETATM 2850 H6 UNN A 228 -1.266 4.981 13.270 1.00 0.03 H HETATM 2851 H3 UNN A 228 -1.614 5.070 10.817 1.00 0.03 H HETATM 2852 H4 UNN A 228 -0.372 6.230 11.399 1.00 0.03 H HETATM 2853 H1 UNN A 228 0.422 5.183 9.349 1.00 0.03 H HETATM 2854 H2 UNN A 228 0.114 3.544 10.018 1.00 0.03 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 387 388 393 394 395 CONECT 394 387 CONECT 395 387 CONECT 1533 1534 1537 1538 1539 CONECT 1537 1533 CONECT 1538 1533 CONECT 1539 1533 CONECT 2805 2806 2810 2853 2854 CONECT 2806 2805 2807 2851 2852 CONECT 2807 2806 2808 2849 2850 CONECT 2808 2807 2809 2844 2848 CONECT 2809 2808 2810 2813 2843 CONECT 2810 2805 2809 2811 2812 CONECT 2811 2810 CONECT 2812 2810 CONECT 2813 2809 2814 2842 CONECT 2814 2813 2815 2836 CONECT 2815 2814 2816 CONECT 2816 2815 2817 CONECT 2817 2816 2818 2837 CONECT 2818 2817 2819 2836 CONECT 2819 2818 2820 2835 CONECT 2820 2819 2821 2825 CONECT 2821 2820 2822 2831 CONECT 2822 2821 2823 2829 CONECT 2823 2822 2824 2828 CONECT 2824 2823 2825 2827 CONECT 2825 2820 2824 2826 CONECT 2826 2825 CONECT 2827 2824 CONECT 2828 2823 CONECT 2829 2822 2830 2834 CONECT 2830 2829 2831 2833 CONECT 2831 2821 2830 2832 CONECT 2832 2831 CONECT 2833 2830 CONECT 2834 2829 CONECT 2835 2819 CONECT 2836 2814 2818 CONECT 2837 2817 2838 2839 CONECT 2838 2837 CONECT 2839 2837 2840 2841 CONECT 2840 2839 CONECT 2841 2839 CONECT 2842 2813 CONECT 2843 2809 CONECT 2844 2808 2845 2846 2847 CONECT 2845 2844 CONECT 2846 2844 CONECT 2847 2844 CONECT 2848 2808 CONECT 2849 2807 CONECT 2850 2807 CONECT 2851 2806 CONECT 2852 2806 CONECT 2853 2805 CONECT 2854 2805 MASTER 0 0 0 0 0 0 0 0 2851 3 61 23 END
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Related entries of code: 4rx8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1xbb
RCSB PDB
PDBbind
291aa, >1XBB_1|Chain... at 96%
1xbc
RCSB PDB
PDBbind
291aa, >1XBC_1|Chain... at 96%
3emg
RCSB PDB
PDBbind
291aa, >3EMG_1|Chain... at 98%
3fqe
RCSB PDB
PDBbind
291aa, >3FQE_1|Chain... at 96%
3fqh
RCSB PDB
PDBbind
291aa, >3FQH_1|Chains... at 96%
3fqs
RCSB PDB
PDBbind
291aa, >3FQS_1|Chain... at 96%
3srv
RCSB PDB
PDBbind
277aa, >3SRV_2|Chain... at 99%
3vf8
RCSB PDB
PDBbind
299aa, >3VF8_1|Chain... at 97%
3vf9
RCSB PDB
PDBbind
299aa, >3VF9_1|Chain... at 97%
4dfl
RCSB PDB
PDBbind
274aa, >4DFL_1|Chain... at 99%
4dfn
RCSB PDB
PDBbind
274aa, >4DFN_1|Chain... at 99%
4f4p
RCSB PDB
PDBbind
273aa, >4F4P_1|Chain... at 99%
4fl1
RCSB PDB
PDBbind
291aa, >4FL1_1|Chain... at 96%
4fl2
RCSB PDB
PDBbind
636aa, >4FL2_1|Chain... *
4fl3
RCSB PDB
PDBbind
635aa, >4FL3_1|Chain... at 99%
4fyo
RCSB PDB
PDBbind
291aa, >4FYO_1|Chain... at 96%
4fz6
RCSB PDB
PDBbind
291aa, >4FZ6_1|Chain... at 96%
4i0r
RCSB PDB
PDBbind
291aa, >4I0R_1|Chain... at 96%
4i0s
RCSB PDB
PDBbind
291aa, >4I0S_1|Chain... at 96%
4i0t
RCSB PDB
PDBbind
291aa, >4I0T_1|Chain... at 96%
4puz
RCSB PDB
PDBbind
291aa, >4PUZ_1|Chains... at 96%
4pv0
RCSB PDB
PDBbind
275aa, >4PV0_1|Chain... at 99%
4px6
RCSB PDB
PDBbind
291aa, >4PX6_1|Chain... at 95%
4rss
RCSB PDB
PDBbind
290aa, >4RSS_1|Chain... at 96%
4rx7
RCSB PDB
PDBbind
289aa, >4RX7_1|Chain... at 96%
4rx9
RCSB PDB
PDBbind
290aa, >4RX9_1|Chain... at 96%
4wnm
RCSB PDB
PDBbind
299aa, >4WNM_1|Chain... at 97%
4xg3
RCSB PDB
PDBbind
290aa, >4XG3_1|Chains... at 96%
4xg4
RCSB PDB
PDBbind
290aa, >4XG4_1|Chain... at 96%
4xg6
RCSB PDB
PDBbind
290aa, >4XG6_1|Chain... at 96%
4xg7
RCSB PDB
PDBbind
290aa, >4XG7_1|Chain... at 96%
4xg8
RCSB PDB
PDBbind
290aa, >4XG8_1|Chains... at 96%
4xg9
RCSB PDB
PDBbind
290aa, >4XG9_1|Chains... at 96%
5c26
RCSB PDB
PDBbind
299aa, >5C26_1|Chain... at 97%
5cxh
RCSB PDB
PDBbind
289aa, >5CXH_1|Chain... at 96%
5cxz
RCSB PDB
PDBbind
289aa, >5CXZ_1|Chain... at 96%
5cy3
RCSB PDB
PDBbind
291aa, >5CY3_1|Chain... at 95%
5ghv
RCSB PDB
PDBbind
290aa, >5GHV_1|Chains... at 96%
5lma
RCSB PDB
PDBbind
277aa, >5LMA_1|Chain... at 99%
5lmb
RCSB PDB
PDBbind
277aa, >5LMB_1|Chains... at 99%
5t68
RCSB PDB
PDBbind
291aa, >5T68_1|Chains... at 96%
5tiu
RCSB PDB
PDBbind
291aa, >5TIU_1|Chain... at 96%
5tr6
RCSB PDB
PDBbind
289aa, >5TR6_1|Chain... at 96%
5tt7
RCSB PDB
PDBbind
289aa, >5TT7_1|Chain... at 96%
5y5t
RCSB PDB
PDBbind
293aa, >5Y5T_1|Chain... at 95%
5y5u
RCSB PDB
PDBbind
293aa, >5Y5U_1|Chains... at 95%
6hm6
RCSB PDB
PDBbind
276aa, >6HM6_1|Chain... at 100%
6hm7
RCSB PDB
PDBbind
276aa, >6HM7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4rx8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase SYK Catalytic Domain
Ligand Name
3YX
EC.Number
E.C.2.7.10.2
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
IC50=35nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 1950-1963
Ligand Properties
Formula
C
1
8
H
2
3
N
8
O
Molecular Weight
367.428
Exact Mass
367.199
No. of atoms
50
No. of bonds
53
Polar Surface Area
149.25
LOGP Value
1.67 (
Computed with XLOGP3
)
2.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
NC(=O)c1nnc(nc1Nc1cccc2c1[nH]cc2)N[C@@H]1CCCC[C@@H]1[NH3+]
InChI String
InChI=1S/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/p+1/t11-,12+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P43405
Entrez Gene ID
NCBI Entrez Gene ID:
6850
ASD
Information of known allosteric effects of PDB entries
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