Browse entries in the PDBbind-CN Database
HEADER 5TJX_COMPLEX COMPND 5TJX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 ILE VAL GLY GLY THR GLU SER SER TRP GLY GLU TRP PRO SEQRES 2 A 116 TRP GLN VAL SER LEU GLN VAL LYS LEU THR ALA GLN ARG SEQRES 3 A 116 HIS LEU CYS GLY GLY SER LEU ILE GLY HIS GLN TRP VAL SEQRES 4 A 116 LEU THR ALA ALA HIS CYS PHE ASP GLY LEU PRO LEU GLN SEQRES 5 A 116 ASP VAL TRP ARG ILE TYR SER GLY ILE LEU GLU LEU SER SEQRES 6 A 116 ASP ILE THR LYS ASP THR PRO PHE SER GLN ILE LYS GLU SEQRES 7 A 116 ILE ILE ILE HIS GLN ASN TYR LYS VAL SER GLU GLY ASN SEQRES 8 A 116 HIS ASP ILE ALA LEU ILE LYS LEU GLN ALA PRO LEU GLU SEQRES 9 A 116 TYR THR GLU PHE GLN LYS PRO ILE SER LEU PRO SER SEQRES 1 A 115 THR ILE TYR THR ASN CYS TRP VAL THR GLY TRP GLY PHE SEQRES 2 A 115 SER LYS GLU LYS GLY GLU ILE GLN ASN ILE LEU GLN LYS SEQRES 3 A 115 VAL ASN ILE PRO LEU VAL THR ASN GLU GLU CYS GLN LYS SEQRES 4 A 115 ARG TYR GLN ASP TYR LYS ILE THR GLN ARG MET VAL CYS SEQRES 5 A 115 ALA GLY TYR LYS GLU GLY GLY LYS ASP ALA CYS LYS GLY SEQRES 6 A 115 ASP SER GLY GLY PRO LEU VAL CYS LYS HIS ASN GLY MET SEQRES 7 A 115 TRP ARG LEU VAL GLY ILE THR SER TRP GLY GLU GLY CYS SEQRES 8 A 115 ALA ARG ARG GLU GLN PRO GLY VAL TYR THR LYS VAL ALA SEQRES 9 A 115 GLU TYR MET ASP TRP ILE LEU GLU LYS THR GLN HET GBT A 566 72 SSBOND 1 CYS A 419 CYS A 435 SSBOND 2 CYS A 548 CYS A 563 SSBOND 3 CYS A 517 CYS A 584 SSBOND 4 CYS A 574 CYS A 602 ATOM 1 N ILE A 391 -12.497 4.732 -3.822 1.00 10.41 N ATOM 2 CA ILE A 391 -11.305 5.598 -3.851 1.00 9.58 C ATOM 3 C ILE A 391 -10.271 5.108 -2.850 1.00 9.90 C ATOM 4 O ILE A 391 -10.580 4.973 -1.675 1.00 11.72 O ATOM 5 CB ILE A 391 -11.683 7.067 -3.547 1.00 9.01 C ATOM 6 CG1 ILE A 391 -12.730 7.583 -4.541 1.00 9.80 C ATOM 7 CG2 ILE A 391 -10.434 7.965 -3.539 1.00 11.22 C ATOM 8 CD1 ILE A 391 -12.233 7.767 -5.966 1.00 10.20 C ATOM 9 HN3 ILE A 391 -12.913 4.748 -2.869 1.00 0.00 H ATOM 10 HN2 ILE A 391 -12.223 3.759 -4.066 1.00 0.00 H ATOM 11 HN1 ILE A 391 -13.194 5.080 -4.511 1.00 0.00 H ATOM 12 N VAL A 392 -9.052 4.838 -3.325 1.00 10.71 N ATOM 13 CA VAL A 392 -7.921 4.477 -2.472 1.00 11.32 C ATOM 14 C VAL A 392 -7.134 5.741 -2.154 1.00 11.27 C ATOM 15 O VAL A 392 -6.814 6.527 -3.054 1.00 11.37 O ATOM 16 CB VAL A 392 -7.018 3.448 -3.173 1.00 11.89 C ATOM 17 CG1 VAL A 392 -5.915 2.980 -2.240 1.00 12.57 C ATOM 18 CG2 VAL A 392 -7.846 2.268 -3.692 1.00 15.67 C ATOM 19 H VAL A 392 -8.900 4.887 -4.353 1.00 0.00 H ATOM 20 N GLY A 393 -6.825 5.942 -0.877 1.00 11.84 N ATOM 21 CA GLY A 393 -5.962 7.047 -0.489 1.00 11.40 C ATOM 22 C GLY A 393 -6.639 8.394 -0.423 1.00 12.16 C ATOM 23 O GLY A 393 -5.949 9.419 -0.376 1.00 14.92 O ATOM 24 H GLY A 393 -7.204 5.304 -0.149 1.00 0.00 H ATOM 25 N GLY A 394 -7.972 8.428 -0.413 1.00 12.43 N ATOM 26 CA GLY A 394 -8.721 9.665 -0.358 1.00 12.06 C ATOM 27 C GLY A 394 -9.180 10.015 1.045 1.00 11.12 C ATOM 28 O GLY A 394 -8.791 9.399 2.039 1.00 13.47 O ATOM 29 H GLY A 394 -8.494 7.529 -0.446 1.00 0.00 H ATOM 30 N THR A 395 -10.017 11.052 1.119 1.00 10.87 N ATOM 31 CA THR A 395 -10.595 11.515 2.374 1.00 10.76 C ATOM 32 C THR A 395 -12.052 11.882 2.123 1.00 9.90 C ATOM 33 O THR A 395 -12.518 11.902 0.982 1.00 10.42 O ATOM 34 CB THR A 395 -9.828 12.713 2.956 1.00 13.70 C ATOM 35 OG1 THR A 395 -9.919 13.824 2.052 1.00 15.39 O ATOM 36 CG2 THR A 395 -8.357 12.365 3.184 1.00 16.92 C ATOM 37 HG1 THR A 395 -9.525 13.571 1.180 1.00 0.00 H ATOM 38 H THR A 395 -10.268 11.552 0.242 1.00 0.00 H ATOM 39 N GLU A 396 -12.764 12.173 3.210 1.00 12.49 N ATOM 40 CA GLU A 396 -14.198 12.425 3.130 1.00 12.25 C ATOM 41 C GLU A 396 -14.484 13.785 2.506 1.00 10.79 C ATOM 42 O GLU A 396 -13.833 14.782 2.828 1.00 12.77 O ATOM 43 CB GLU A 396 -14.820 12.362 4.526 1.00 16.20 C ATOM 44 CG GLU A 396 -14.752 10.981 5.159 1.00 21.33 C ATOM 45 CD GLU A 396 -15.197 10.974 6.610 1.00 34.62 C ATOM 46 OE1 GLU A 396 -15.516 12.055 7.146 1.00 38.72 O ATOM 47 OE2 GLU A 396 -15.220 9.880 7.215 1.00 38.48 O ATOM 48 H GLU A 396 -12.288 12.221 4.134 1.00 0.00 H ATOM 49 N SER A 397 -15.469 13.818 1.619 1.00 11.67 N ATOM 50 CA SER A 397 -15.940 15.048 0.998 1.00 11.00 C ATOM 51 C SER A 397 -16.994 15.723 1.874 1.00 12.17 C ATOM 52 O SER A 397 -17.486 15.154 2.849 1.00 14.03 O ATOM 53 CB SER A 397 -16.547 14.744 -0.373 1.00 12.08 C ATOM 54 OG SER A 397 -15.627 14.063 -1.212 1.00 11.39 O ATOM 55 HG SER A 397 -15.367 13.207 -0.788 1.00 0.00 H ATOM 56 H SER A 397 -15.927 12.923 1.354 1.00 0.00 H ATOM 57 N SER A 398 -17.345 16.955 1.503 1.00 12.90 N ATOM 58 CA SER A 398 -18.330 17.751 2.222 1.00 14.08 C ATOM 59 C SER A 398 -19.543 18.016 1.337 1.00 12.88 C ATOM 60 O SER A 398 -19.498 17.856 0.114 1.00 14.57 O ATOM 61 CB SER A 398 -17.724 19.082 2.698 1.00 15.66 C ATOM 62 OG SER A 398 -17.176 19.812 1.617 1.00 13.06 O ATOM 63 HG SER A 398 -17.888 20.007 0.957 1.00 0.00 H ATOM 64 H SER A 398 -16.894 17.366 0.661 1.00 0.00 H ATOM 65 N TRP A 399 -20.638 18.441 1.975 1.00 13.63 N ATOM 66 CA TRP A 399 -21.844 18.792 1.228 1.00 14.02 C ATOM 67 C TRP A 399 -21.533 19.872 0.198 1.00 14.09 C ATOM 68 O TRP A 399 -20.869 20.865 0.508 1.00 14.95 O ATOM 69 CB TRP A 399 -22.909 19.324 2.190 1.00 16.49 C ATOM 70 CG TRP A 399 -23.637 18.266 2.929 1.00 17.19 C ATOM 71 CD1 TRP A 399 -23.540 17.969 4.258 1.00 19.86 C ATOM 72 CD2 TRP A 399 -24.589 17.351 2.381 1.00 17.41 C ATOM 73 NE1 TRP A 399 -24.379 16.925 4.571 1.00 19.57 N ATOM 74 CE2 TRP A 399 -25.027 16.524 3.430 1.00 16.29 C ATOM 75 CE3 TRP A 399 -25.112 17.148 1.098 1.00 18.01 C ATOM 76 CZ2 TRP A 399 -25.978 15.513 3.238 1.00 17.53 C ATOM 77 CZ3 TRP A 399 -26.047 16.145 0.915 1.00 19.57 C ATOM 78 CH2 TRP A 399 -26.469 15.343 1.978 1.00 19.84 C ATOM 79 HE1 TRP A 399 -24.502 16.509 5.516 1.00 0.00 H ATOM 80 H TRP A 399 -20.632 18.523 3.012 1.00 0.00 H ATOM 81 N GLY A 400 -22.043 19.691 -1.024 1.00 15.86 N ATOM 82 CA GLY A 400 -21.871 20.673 -2.071 1.00 18.78 C ATOM 83 C GLY A 400 -20.503 20.708 -2.713 1.00 12.85 C ATOM 84 O GLY A 400 -20.289 21.518 -3.625 1.00 14.10 O ATOM 85 H GLY A 400 -22.577 18.822 -1.227 1.00 0.00 H ATOM 86 N GLU A 401 -19.559 19.876 -2.254 1.00 13.34 N ATOM 87 CA GLU A 401 -18.205 19.945 -2.795 1.00 12.38 C ATOM 88 C GLU A 401 -18.158 19.434 -4.230 1.00 9.66 C ATOM 89 O GLU A 401 -17.477 20.014 -5.081 1.00 11.68 O ATOM 90 CB GLU A 401 -17.226 19.183 -1.890 1.00 12.73 C ATOM 91 CG GLU A 401 -15.782 19.376 -2.306 1.00 10.98 C ATOM 92 CD GLU A 401 -14.768 18.735 -1.365 1.00 13.15 C ATOM 93 OE1 GLU A 401 -15.142 17.935 -0.490 1.00 12.80 O ATOM 94 OE2 GLU A 401 -13.564 19.066 -1.504 1.00 12.87 O ATOM 95 H GLU A 401 -19.790 19.183 -1.514 1.00 0.00 H ATOM 96 N TRP A 402 -18.886 18.362 -4.513 1.00 9.23 N ATOM 97 CA TRP A 402 -18.892 17.714 -5.825 1.00 8.76 C ATOM 98 C TRP A 402 -20.345 17.523 -6.240 1.00 8.46 C ATOM 99 O TRP A 402 -20.859 16.399 -6.271 1.00 9.12 O ATOM 100 CB TRP A 402 -18.155 16.373 -5.795 1.00 9.22 C ATOM 101 CG TRP A 402 -16.839 16.392 -5.046 1.00 9.11 C ATOM 102 CD1 TRP A 402 -16.577 15.770 -3.858 1.00 10.35 C ATOM 103 CD2 TRP A 402 -15.623 17.050 -5.434 1.00 10.09 C ATOM 104 NE1 TRP A 402 -15.271 16.003 -3.479 1.00 9.83 N ATOM 105 CE2 TRP A 402 -14.665 16.778 -4.433 1.00 9.42 C ATOM 106 CE3 TRP A 402 -15.250 17.844 -6.527 1.00 10.21 C ATOM 107 CZ2 TRP A 402 -13.364 17.281 -4.493 1.00 10.45 C ATOM 108 CZ3 TRP A 402 -13.953 18.334 -6.588 1.00 10.55 C ATOM 109 CH2 TRP A 402 -13.028 18.044 -5.579 1.00 10.85 C ATOM 110 HE1 TRP A 402 -14.820 15.649 -2.611 1.00 0.00 H ATOM 111 H TRP A 402 -19.484 17.961 -3.763 1.00 0.00 H ATOM 112 N PRO A 403 -21.043 18.615 -6.563 1.00 8.89 N ATOM 113 CA PRO A 403 -22.512 18.556 -6.660 1.00 9.50 C ATOM 114 C PRO A 403 -23.028 17.829 -7.890 1.00 9.27 C ATOM 115 O PRO A 403 -24.243 17.599 -7.978 1.00 9.07 O ATOM 116 CB PRO A 403 -22.923 20.035 -6.660 1.00 9.75 C ATOM 117 CG PRO A 403 -21.725 20.747 -7.237 1.00 10.54 C ATOM 118 CD PRO A 403 -20.535 19.992 -6.676 1.00 8.53 C ATOM 119 N TRP A 404 -22.158 17.460 -8.824 1.00 7.93 N ATOM 120 CA TRP A 404 -22.523 16.651 -9.978 1.00 8.22 C ATOM 121 C TRP A 404 -22.413 15.154 -9.717 1.00 7.87 C ATOM 122 O TRP A 404 -22.862 14.360 -10.548 1.00 8.92 O ATOM 123 CB TRP A 404 -21.595 16.997 -11.152 1.00 8.75 C ATOM 124 CG TRP A 404 -20.153 17.075 -10.711 1.00 7.92 C ATOM 125 CD1 TRP A 404 -19.278 16.030 -10.560 1.00 11.32 C ATOM 126 CD2 TRP A 404 -19.444 18.255 -10.330 1.00 9.39 C ATOM 127 NE1 TRP A 404 -18.069 16.498 -10.117 1.00 10.76 N ATOM 128 CE2 TRP A 404 -18.141 17.857 -9.967 1.00 11.01 C ATOM 129 CE3 TRP A 404 -19.780 19.614 -10.270 1.00 10.61 C ATOM 130 CZ2 TRP A 404 -17.175 18.770 -9.551 1.00 11.27 C ATOM 131 CZ3 TRP A 404 -18.813 20.520 -9.852 1.00 12.26 C ATOM 132 CH2 TRP A 404 -17.530 20.088 -9.493 1.00 12.31 C ATOM 133 HE1 TRP A 404 -17.230 15.914 -9.925 1.00 0.00 H ATOM 134 H TRP A 404 -21.168 17.764 -8.726 1.00 0.00 H ATOM 135 N GLN A 405 -21.800 14.734 -8.614 1.00 7.81 N ATOM 136 CA GLN A 405 -21.609 13.308 -8.375 1.00 8.30 C ATOM 137 C GLN A 405 -22.945 12.649 -8.064 1.00 8.59 C ATOM 138 O GLN A 405 -23.684 13.111 -7.188 1.00 9.42 O ATOM 139 CB GLN A 405 -20.670 13.110 -7.185 1.00 8.55 C ATOM 140 CG GLN A 405 -20.560 11.663 -6.689 1.00 8.61 C ATOM 141 CD GLN A 405 -19.588 10.834 -7.507 1.00 8.77 C ATOM 142 OE1 GLN A 405 -18.405 11.164 -7.597 1.00 10.28 O ATOM 143 NE2 GLN A 405 -20.078 9.764 -8.123 1.00 9.14 N ATOM 144 HE22 GLN A 405 -21.084 9.520 -8.021 1.00 0.00 H ATOM 145 HE21 GLN A 405 -19.456 9.170 -8.708 1.00 0.00 H ATOM 146 H GLN A 405 -21.455 15.426 -7.918 1.00 0.00 H ATOM 147 N VAL A 406 -23.255 11.557 -8.764 1.00 7.61 N ATOM 148 CA VAL A 406 -24.454 10.780 -8.473 1.00 7.87 C ATOM 149 C VAL A 406 -24.075 9.341 -8.150 1.00 8.15 C ATOM 150 O VAL A 406 -22.988 8.865 -8.491 1.00 8.29 O ATOM 151 CB VAL A 406 -25.507 10.844 -9.606 1.00 8.88 C ATOM 152 CG1 VAL A 406 -25.861 12.298 -9.930 1.00 10.46 C ATOM 153 CG2 VAL A 406 -25.028 10.123 -10.852 1.00 9.77 C ATOM 154 H VAL A 406 -22.627 11.253 -9.535 1.00 0.00 H ATOM 155 N SER A 407 -24.995 8.648 -7.475 1.00 9.09 N ATOM 156 CA SER A 407 -24.879 7.223 -7.176 1.00 8.98 C ATOM 157 C SER A 407 -25.917 6.468 -7.992 1.00 9.45 C ATOM 158 O SER A 407 -27.116 6.761 -7.894 1.00 10.41 O ATOM 159 CB SER A 407 -25.086 6.960 -5.680 1.00 9.75 C ATOM 160 OG SER A 407 -25.217 5.565 -5.415 1.00 9.53 O ATOM 161 HG SER A 407 -24.396 5.096 -5.708 1.00 0.00 H ATOM 162 H SER A 407 -25.842 9.151 -7.143 1.00 0.00 H ATOM 163 N LEU A 408 -25.459 5.517 -8.799 1.00 9.09 N ATOM 164 CA LEU A 408 -26.341 4.643 -9.568 1.00 10.39 C ATOM 165 C LEU A 408 -26.556 3.364 -8.771 1.00 9.66 C ATOM 166 O LEU A 408 -25.602 2.617 -8.517 1.00 11.00 O ATOM 167 CB LEU A 408 -25.731 4.323 -10.932 1.00 9.73 C ATOM 168 CG LEU A 408 -25.316 5.516 -11.793 1.00 18.00 C ATOM 169 CD1 LEU A 408 -24.848 5.032 -13.164 1.00 20.61 C ATOM 170 CD2 LEU A 408 -26.438 6.531 -11.923 1.00 22.12 C ATOM 171 H LEU A 408 -24.431 5.390 -8.887 1.00 0.00 H ATOM 172 N GLN A 409 -27.794 3.154 -8.326 1.00 10.05 N ATOM 173 CA GLN A 409 -28.168 1.996 -7.508 1.00 10.65 C ATOM 174 C GLN A 409 -29.170 1.058 -8.190 1.00 11.21 C ATOM 175 O GLN A 409 -29.855 1.436 -9.020 1.00 11.22 O ATOM 176 CB GLN A 409 -28.732 2.487 -6.172 1.00 10.97 C ATOM 177 CG GLN A 409 -27.856 3.586 -5.555 1.00 10.91 C ATOM 178 CD GLN A 409 -27.928 3.651 -4.077 1.00 13.95 C ATOM 179 OE1 GLN A 409 -28.791 3.114 -3.474 1.00 13.58 O ATOM 180 NE2 GLN A 409 -27.002 4.320 -3.505 1.00 14.62 N ATOM 181 HE22 GLN A 409 -26.262 4.776 -4.076 1.00 0.00 H ATOM 182 HE21 GLN A 409 -26.988 4.408 -2.469 1.00 0.00 H ATOM 183 H GLN A 409 -28.531 3.845 -8.571 1.00 0.00 H ATOM 184 N VAL A 410 -29.141 -0.185 -7.765 1.00 12.28 N ATOM 185 CA VAL A 410 -30.066 -1.173 -8.233 1.00 12.37 C ATOM 186 C VAL A 410 -30.888 -1.664 -7.046 1.00 14.44 C ATOM 187 O VAL A 410 -30.368 -2.018 -6.032 1.00 16.15 O ATOM 188 CB VAL A 410 -29.361 -2.344 -8.945 1.00 13.22 C ATOM 189 CG1 VAL A 410 -30.347 -3.489 -9.182 1.00 17.26 C ATOM 190 CG2 VAL A 410 -28.813 -1.899 -10.299 1.00 16.26 C ATOM 191 H VAL A 410 -28.422 -0.460 -7.065 1.00 0.00 H ATOM 192 N LYS A 411 -32.191 -1.585 -7.237 1.00 14.74 N ATOM 193 CA LYS A 411 -33.151 -2.059 -6.245 1.00 16.56 C ATOM 194 C LYS A 411 -33.791 -3.356 -6.707 1.00 18.75 C ATOM 195 O LYS A 411 -34.484 -3.370 -7.633 1.00 20.57 O ATOM 196 CB LYS A 411 -34.247 -1.041 -5.939 1.00 19.93 C ATOM 197 CG LYS A 411 -35.164 -1.473 -4.765 1.00 24.35 C ATOM 198 CD LYS A 411 -36.198 -0.428 -4.468 1.00 35.58 C ATOM 199 CE LYS A 411 -37.316 -0.925 -3.565 1.00 37.60 C ATOM 200 NZ LYS A 411 -36.732 -1.780 -2.541 1.00 34.75 N ATOM 201 HZ1 LYS A 411 -36.255 -2.585 -2.994 1.00 0.00 H ATOM 202 HZ2 LYS A 411 -36.042 -1.234 -1.987 1.00 0.00 H ATOM 203 HZ3 LYS A 411 -37.484 -2.130 -1.913 1.00 0.00 H ATOM 204 H LYS A 411 -32.546 -1.172 -8.123 1.00 0.00 H ATOM 205 N LEU A 412 -33.471 -4.407 -5.999 1.00 20.69 N ATOM 206 CA LEU A 412 -34.074 -5.726 -6.223 1.00 19.76 C ATOM 207 C LEU A 412 -34.589 -5.850 -4.806 1.00 26.29 C ATOM 208 O LEU A 412 -34.881 -4.856 -4.227 1.00 35.94 O ATOM 209 CB LEU A 412 -33.002 -6.752 -6.489 1.00 23.24 C ATOM 210 CG LEU A 412 -32.245 -6.489 -7.793 1.00 27.66 C ATOM 211 CD1 LEU A 412 -31.140 -7.483 -8.009 1.00 30.68 C ATOM 212 CD2 LEU A 412 -33.203 -6.523 -8.934 1.00 33.84 C ATOM 213 H LEU A 412 -32.760 -4.304 -5.247 1.00 0.00 H ATOM 214 N THR A 413 -34.687 -7.048 -4.257 1.00 32.41 N ATOM 215 CA THR A 413 -35.061 -7.151 -2.843 1.00 36.55 C ATOM 216 C THR A 413 -34.328 -6.127 -1.970 1.00 35.41 C ATOM 217 O THR A 413 -34.962 -5.308 -1.352 1.00 40.30 O ATOM 218 CB THR A 413 -35.084 -8.594 -2.328 1.00 43.73 C ATOM 219 OG1 THR A 413 -33.774 -9.145 -2.324 1.00 53.39 O ATOM 220 CG2 THR A 413 -35.904 -9.392 -3.172 1.00 39.32 C ATOM 221 HG1 THR A 413 -33.412 -9.139 -3.245 1.00 0.00 H ATOM 222 H THR A 413 -34.502 -7.904 -4.819 1.00 0.00 H ATOM 223 N ALA A 414 -33.010 -6.157 -1.994 1.00 26.57 N ATOM 224 CA ALA A 414 -32.191 -5.143 -1.358 1.00 23.44 C ATOM 225 C ALA A 414 -31.753 -4.117 -2.413 1.00 22.86 C ATOM 226 O ALA A 414 -31.859 -4.310 -3.568 1.00 22.13 O ATOM 227 CB ALA A 414 -30.979 -5.751 -0.717 1.00 28.43 C ATOM 228 H ALA A 414 -32.538 -6.940 -2.490 1.00 0.00 H ATOM 229 N GLN A 415 -31.245 -3.024 -1.929 1.00 18.26 N ATOM 230 CA GLN A 415 -30.780 -1.950 -2.789 1.00 17.38 C ATOM 231 C GLN A 415 -29.296 -1.728 -2.547 1.00 18.50 C ATOM 232 O GLN A 415 -28.839 -1.738 -1.400 1.00 21.54 O ATOM 233 CB GLN A 415 -31.550 -0.667 -2.471 1.00 18.90 C ATOM 234 CG GLN A 415 -31.239 0.499 -3.380 1.00 17.64 C ATOM 235 CD GLN A 415 -32.215 1.646 -3.190 1.00 17.55 C ATOM 236 OE1 GLN A 415 -33.418 1.431 -3.035 1.00 20.20 O ATOM 237 NE2 GLN A 415 -31.699 2.872 -3.190 1.00 14.88 N ATOM 238 HE22 GLN A 415 -30.676 3.006 -3.325 1.00 0.00 H ATOM 239 HE21 GLN A 415 -32.318 3.697 -3.055 1.00 0.00 H ATOM 240 H GLN A 415 -31.169 -2.915 -0.898 1.00 0.00 H ATOM 241 N ARG A 416 -28.537 -1.532 -3.622 1.00 14.17 N ATOM 242 CA ARG A 416 -27.097 -1.357 -3.480 1.00 15.58 C ATOM 243 C ARG A 416 -26.561 -0.373 -4.505 1.00 13.58 C ATOM 244 O ARG A 416 -27.053 -0.281 -5.632 1.00 14.56 O ATOM 245 CB ARG A 416 -26.331 -2.675 -3.619 1.00 20.53 C ATOM 246 CG ARG A 416 -26.557 -3.386 -4.926 1.00 28.83 C ATOM 247 CD ARG A 416 -26.267 -4.878 -4.782 1.00 41.37 C ATOM 248 NE ARG A 416 -24.852 -5.135 -4.541 1.00 52.02 N ATOM 249 CZ ARG A 416 -23.987 -5.477 -5.490 1.00 57.23 C ATOM 250 NH1 ARG A 416 -24.398 -5.608 -6.745 1.00 55.64 N ATOM 251 NH2 ARG A 416 -22.715 -5.693 -5.185 1.00 59.20 N ATOM 252 HE ARG A 416 -24.498 -5.045 -3.567 1.00 0.00 H ATOM 253 HH12 ARG A 416 -23.722 -5.876 -7.488 1.00 0.00 H ATOM 254 HH11 ARG A 416 -25.396 -5.443 -6.985 1.00 0.00 H ATOM 255 HH22 ARG A 416 -22.040 -5.961 -5.930 1.00 0.00 H ATOM 256 HH21 ARG A 416 -22.392 -5.595 -4.201 1.00 0.00 H ATOM 257 H ARG A 416 -28.972 -1.504 -4.566 1.00 0.00 H ATOM 258 N HIS A 417 -25.533 0.359 -4.085 1.00 12.47 N ATOM 259 CA HIS A 417 -24.765 1.201 -4.985 1.00 10.98 C ATOM 260 C HIS A 417 -23.903 0.340 -5.900 1.00 13.34 C ATOM 261 O HIS A 417 -23.171 -0.533 -5.426 1.00 14.95 O ATOM 262 CB HIS A 417 -23.851 2.094 -4.149 1.00 11.41 C ATOM 263 CG HIS A 417 -22.779 2.768 -4.946 1.00 10.84 C ATOM 264 ND1 HIS A 417 -22.918 4.038 -5.460 1.00 10.97 N ATOM 265 CD2 HIS A 417 -21.551 2.338 -5.323 1.00 12.62 C ATOM 266 CE1 HIS A 417 -21.819 4.364 -6.118 1.00 9.89 C ATOM 267 NE2 HIS A 417 -20.975 3.350 -6.047 1.00 10.69 N ATOM 268 H HIS A 417 -25.271 0.327 -3.079 1.00 0.00 H ATOM 269 N LEU A 418 -23.976 0.597 -7.208 1.00 11.07 N ATOM 270 CA LEU A 418 -23.146 -0.097 -8.189 1.00 12.04 C ATOM 271 C LEU A 418 -22.097 0.785 -8.840 1.00 13.74 C ATOM 272 O LEU A 418 -20.963 0.341 -9.027 1.00 16.93 O ATOM 273 CB LEU A 418 -24.009 -0.737 -9.286 1.00 16.45 C ATOM 274 CG LEU A 418 -24.770 -2.006 -8.900 1.00 21.57 C ATOM 275 CD1 LEU A 418 -25.284 -2.718 -10.144 1.00 23.38 C ATOM 276 CD2 LEU A 418 -23.891 -2.932 -8.075 1.00 33.49 C ATOM 277 H LEU A 418 -24.648 1.318 -7.540 1.00 0.00 H ATOM 278 N CYS A 419 -22.439 2.021 -9.191 1.00 9.99 N ATOM 279 CA CYS A 419 -21.535 2.852 -9.970 1.00 11.11 C ATOM 280 C CYS A 419 -21.753 4.313 -9.635 1.00 9.26 C ATOM 281 O CYS A 419 -22.788 4.710 -9.091 1.00 10.16 O ATOM 282 CB CYS A 419 -21.758 2.690 -11.477 1.00 11.77 C ATOM 283 SG CYS A 419 -20.952 1.269 -12.251 1.00 14.58 S ATOM 284 H CYS A 419 -23.365 2.398 -8.905 1.00 0.00 H ATOM 285 N GLY A 420 -20.764 5.123 -9.994 1.00 8.24 N ATOM 286 CA GLY A 420 -20.921 6.557 -9.996 1.00 8.28 C ATOM 287 C GLY A 420 -21.409 7.062 -11.335 1.00 7.71 C ATOM 288 O GLY A 420 -21.557 6.317 -12.303 1.00 9.20 O ATOM 289 H GLY A 420 -19.852 4.713 -10.281 1.00 0.00 H ATOM 290 N GLY A 421 -21.664 8.366 -11.364 1.00 7.92 N ATOM 291 CA GLY A 421 -22.025 9.075 -12.580 1.00 7.70 C ATOM 292 C GLY A 421 -21.875 10.558 -12.329 1.00 6.32 C ATOM 293 O GLY A 421 -21.651 11.001 -11.201 1.00 7.77 O ATOM 294 H GLY A 421 -21.602 8.904 -10.476 1.00 0.00 H ATOM 295 N SER A 422 -21.999 11.327 -13.415 1.00 7.91 N ATOM 296 CA SER A 422 -21.885 12.780 -13.368 1.00 8.07 C ATOM 297 C SER A 422 -23.128 13.406 -13.976 1.00 7.25 C ATOM 298 O SER A 422 -23.479 13.110 -15.125 1.00 8.64 O ATOM 299 CB SER A 422 -20.653 13.269 -14.133 1.00 9.35 C ATOM 300 OG SER A 422 -19.459 12.752 -13.545 1.00 11.18 O ATOM 301 HG SER A 422 -19.482 11.763 -13.571 1.00 0.00 H ATOM 302 H SER A 422 -22.184 10.871 -14.331 1.00 0.00 H ATOM 303 N LEU A 423 -23.791 14.273 -13.218 1.00 7.84 N ATOM 304 CA LEU A 423 -24.881 15.069 -13.771 1.00 8.28 C ATOM 305 C LEU A 423 -24.307 16.089 -14.751 1.00 9.15 C ATOM 306 O LEU A 423 -23.440 16.887 -14.377 1.00 9.45 O ATOM 307 CB LEU A 423 -25.613 15.775 -12.630 1.00 9.27 C ATOM 308 CG LEU A 423 -26.897 16.510 -13.019 1.00 9.62 C ATOM 309 CD1 LEU A 423 -27.960 15.507 -13.399 1.00 10.85 C ATOM 310 CD2 LEU A 423 -27.370 17.389 -11.874 1.00 13.04 C ATOM 311 H LEU A 423 -23.529 14.385 -12.218 1.00 0.00 H ATOM 312 N ILE A 424 -24.762 16.056 -16.007 1.00 8.22 N ATOM 313 CA ILE A 424 -24.308 17.010 -17.020 1.00 8.88 C ATOM 314 C ILE A 424 -25.403 17.951 -17.503 1.00 9.33 C ATOM 315 O ILE A 424 -25.104 18.893 -18.252 1.00 10.48 O ATOM 316 CB ILE A 424 -23.589 16.329 -18.208 1.00 9.41 C ATOM 317 CG1 ILE A 424 -24.533 15.376 -18.952 1.00 10.67 C ATOM 318 CG2 ILE A 424 -22.345 15.591 -17.703 1.00 10.83 C ATOM 319 CD1 ILE A 424 -24.047 15.004 -20.364 1.00 11.71 C ATOM 320 H ILE A 424 -25.459 15.331 -16.273 1.00 0.00 H ATOM 321 N GLY A 425 -26.648 17.732 -17.101 1.00 9.65 N ATOM 322 CA GLY A 425 -27.742 18.617 -17.450 1.00 10.34 C ATOM 323 C GLY A 425 -28.929 18.227 -16.603 1.00 11.56 C ATOM 324 O GLY A 425 -28.866 17.286 -15.807 1.00 12.59 O ATOM 325 H GLY A 425 -26.846 16.896 -16.515 1.00 0.00 H ATOM 326 N HIS A 426 -30.028 18.950 -16.794 1.00 11.31 N ATOM 327 CA HIS A 426 -31.210 18.696 -15.973 1.00 11.41 C ATOM 328 C HIS A 426 -31.658 17.246 -16.086 1.00 12.51 C ATOM 329 O HIS A 426 -32.132 16.658 -15.105 1.00 12.64 O ATOM 330 CB HIS A 426 -32.350 19.631 -16.365 1.00 12.21 C ATOM 331 CG HIS A 426 -32.127 21.057 -15.971 1.00 11.18 C ATOM 332 ND1 HIS A 426 -32.211 21.493 -14.664 1.00 12.88 N ATOM 333 CD2 HIS A 426 -31.846 22.152 -16.718 1.00 11.77 C ATOM 334 CE1 HIS A 426 -31.975 22.792 -14.623 1.00 13.75 C ATOM 335 NE2 HIS A 426 -31.756 23.217 -15.856 1.00 12.99 N ATOM 336 H HIS A 426 -30.047 19.692 -17.523 1.00 0.00 H ATOM 337 N GLN A 427 -31.534 16.656 -17.272 1.00 11.74 N ATOM 338 CA GLN A 427 -32.097 15.335 -17.526 1.00 12.44 C ATOM 339 C GLN A 427 -31.057 14.324 -18.004 1.00 12.32 C ATOM 340 O GLN A 427 -31.424 13.278 -18.544 1.00 12.75 O ATOM 341 CB GLN A 427 -33.268 15.436 -18.510 1.00 18.65 C ATOM 342 CG GLN A 427 -34.449 14.567 -18.151 1.00 27.23 C ATOM 343 CD GLN A 427 -35.689 14.887 -18.967 1.00 29.11 C ATOM 344 OE1 GLN A 427 -35.798 15.957 -19.568 1.00 33.11 O ATOM 345 NE2 GLN A 427 -36.631 13.952 -18.994 1.00 25.10 N ATOM 346 HE22 GLN A 427 -36.496 13.063 -18.471 1.00 0.00 H ATOM 347 HE21 GLN A 427 -37.504 14.108 -19.538 1.00 0.00 H ATOM 348 H GLN A 427 -31.025 17.147 -18.034 1.00 0.00 H ATOM 349 N TRP A 428 -29.763 14.601 -17.810 1.00 9.74 N ATOM 350 CA TRP A 428 -28.709 13.765 -18.378 1.00 9.78 C ATOM 351 C TRP A 428 -27.604 13.476 -17.370 1.00 9.41 C ATOM 352 O TRP A 428 -27.094 14.390 -16.702 1.00 10.47 O ATOM 353 CB TRP A 428 -28.105 14.432 -19.615 1.00 10.33 C ATOM 354 CG TRP A 428 -29.038 14.505 -20.773 1.00 10.60 C ATOM 355 CD1 TRP A 428 -29.746 15.593 -21.190 1.00 13.23 C ATOM 356 CD2 TRP A 428 -29.344 13.448 -21.692 1.00 12.46 C ATOM 357 NE1 TRP A 428 -30.480 15.279 -22.308 1.00 15.22 N ATOM 358 CE2 TRP A 428 -30.249 13.967 -22.640 1.00 13.93 C ATOM 359 CE3 TRP A 428 -28.937 12.112 -21.807 1.00 12.81 C ATOM 360 CZ2 TRP A 428 -30.762 13.196 -23.687 1.00 13.10 C ATOM 361 CZ3 TRP A 428 -29.443 11.349 -22.854 1.00 13.28 C ATOM 362 CH2 TRP A 428 -30.339 11.891 -23.777 1.00 14.30 C ATOM 363 HE1 TRP A 428 -31.109 15.930 -22.820 1.00 0.00 H ATOM 364 H TRP A 428 -29.501 15.431 -17.241 1.00 0.00 H ATOM 365 N VAL A 429 -27.211 12.199 -17.307 1.00 9.32 N ATOM 366 CA VAL A 429 -26.086 11.723 -16.510 1.00 7.72 C ATOM 367 C VAL A 429 -25.126 10.979 -17.429 1.00 9.39 C ATOM 368 O VAL A 429 -25.553 10.229 -18.313 1.00 10.35 O ATOM 369 CB VAL A 429 -26.591 10.790 -15.388 1.00 8.59 C ATOM 370 CG1 VAL A 429 -25.442 10.036 -14.749 1.00 9.70 C ATOM 371 CG2 VAL A 429 -27.360 11.587 -14.343 1.00 9.86 C ATOM 372 H VAL A 429 -27.743 11.499 -17.863 1.00 0.00 H ATOM 373 N LEU A 430 -23.829 11.196 -17.226 1.00 8.78 N ATOM 374 CA LEU A 430 -22.789 10.489 -17.962 1.00 10.27 C ATOM 375 C LEU A 430 -22.173 9.455 -17.028 1.00 9.95 C ATOM 376 O LEU A 430 -21.872 9.762 -15.867 1.00 11.40 O ATOM 377 CB LEU A 430 -21.732 11.489 -18.428 1.00 14.06 C ATOM 378 CG LEU A 430 -20.793 11.240 -19.602 1.00 18.28 C ATOM 379 CD1 LEU A 430 -21.517 10.710 -20.827 1.00 11.82 C ATOM 380 CD2 LEU A 430 -20.109 12.562 -19.936 1.00 14.65 C ATOM 381 H LEU A 430 -23.546 11.899 -16.513 1.00 0.00 H ATOM 382 N THR A 431 -21.981 8.239 -17.526 1.00 9.33 N ATOM 383 CA THR A 431 -21.405 7.170 -16.711 1.00 9.29 C ATOM 384 C THR A 431 -20.574 6.264 -17.621 1.00 8.05 C ATOM 385 O THR A 431 -20.316 6.586 -18.787 1.00 9.33 O ATOM 386 CB THR A 431 -22.502 6.441 -15.914 1.00 10.12 C ATOM 387 OG1 THR A 431 -21.904 5.554 -14.957 1.00 11.02 O ATOM 388 CG2 THR A 431 -23.426 5.639 -16.830 1.00 12.52 C ATOM 389 HG1 THR A 431 -21.339 6.076 -14.333 1.00 0.00 H ATOM 390 H THR A 431 -22.245 8.043 -18.513 1.00 0.00 H ATOM 391 N ALA A 432 -20.152 5.121 -17.083 1.00 8.86 N ATOM 392 CA ALA A 432 -19.386 4.136 -17.840 1.00 10.16 C ATOM 393 C ALA A 432 -20.301 3.061 -18.408 1.00 10.34 C ATOM 394 O ALA A 432 -21.177 2.541 -17.706 1.00 10.72 O ATOM 395 CB ALA A 432 -18.341 3.465 -16.953 1.00 10.87 C ATOM 396 H ALA A 432 -20.377 4.923 -16.087 1.00 0.00 H ATOM 397 N ALA A 433 -20.066 2.695 -19.670 1.00 10.22 N ATOM 398 CA ALA A 433 -20.858 1.636 -20.301 1.00 9.65 C ATOM 399 C ALA A 433 -20.813 0.333 -19.507 1.00 10.64 C ATOM 400 O ALA A 433 -21.808 -0.406 -19.459 1.00 11.13 O ATOM 401 CB ALA A 433 -20.361 1.407 -21.732 1.00 11.03 C ATOM 402 H ALA A 433 -19.313 3.166 -20.211 1.00 0.00 H ATOM 403 N HIS A 434 -19.663 0.007 -18.906 1.00 10.15 N ATOM 404 CA HIS A 434 -19.534 -1.308 -18.277 1.00 10.82 C ATOM 405 C HIS A 434 -20.407 -1.458 -17.038 1.00 11.60 C ATOM 406 O HIS A 434 -20.633 -2.589 -16.587 1.00 11.59 O ATOM 407 CB HIS A 434 -18.062 -1.663 -17.994 1.00 10.96 C ATOM 408 CG HIS A 434 -17.508 -1.062 -16.739 1.00 10.84 C ATOM 409 ND1 HIS A 434 -16.578 -0.040 -16.744 1.00 9.80 N ATOM 410 CD2 HIS A 434 -17.722 -1.367 -15.438 1.00 10.98 C ATOM 411 CE1 HIS A 434 -16.258 0.267 -15.499 1.00 10.38 C ATOM 412 NE2 HIS A 434 -16.941 -0.521 -14.688 1.00 10.94 N ATOM 413 H HIS A 434 -18.870 0.680 -18.886 1.00 0.00 H ATOM 414 N CYS A 435 -20.938 -0.358 -16.511 1.00 11.14 N ATOM 415 CA CYS A 435 -21.871 -0.436 -15.399 1.00 10.26 C ATOM 416 C CYS A 435 -23.120 -1.219 -15.761 1.00 12.14 C ATOM 417 O CYS A 435 -23.816 -1.705 -14.859 1.00 13.83 O ATOM 418 CB CYS A 435 -22.249 0.983 -14.986 1.00 10.69 C ATOM 419 SG CYS A 435 -20.843 1.848 -14.218 1.00 14.46 S ATOM 420 H CYS A 435 -20.682 0.572 -16.900 1.00 0.00 H ATOM 421 N PHE A 436 -23.413 -1.354 -17.055 1.00 10.36 N ATOM 422 CA PHE A 436 -24.600 -2.041 -17.551 1.00 10.42 C ATOM 423 C PHE A 436 -24.299 -3.433 -18.099 1.00 11.43 C ATOM 424 O PHE A 436 -25.133 -4.014 -18.804 1.00 13.86 O ATOM 425 CB PHE A 436 -25.291 -1.158 -18.590 1.00 12.42 C ATOM 426 CG PHE A 436 -25.665 0.191 -18.056 1.00 12.87 C ATOM 427 CD1 PHE A 436 -26.738 0.322 -17.187 1.00 14.44 C ATOM 428 CD2 PHE A 436 -24.930 1.318 -18.383 1.00 14.76 C ATOM 429 CE1 PHE A 436 -27.083 1.552 -16.668 1.00 15.87 C ATOM 430 CE2 PHE A 436 -25.271 2.546 -17.869 1.00 18.04 C ATOM 431 CZ PHE A 436 -26.351 2.669 -17.013 1.00 16.99 C ATOM 432 H PHE A 436 -22.757 -0.946 -17.751 1.00 0.00 H ATOM 433 N ASP A 437 -23.146 -4.008 -17.746 1.00 12.42 N ATOM 434 CA ASP A 437 -22.767 -5.327 -18.246 1.00 13.01 C ATOM 435 C ASP A 437 -23.683 -6.452 -17.764 1.00 12.68 C ATOM 436 O ASP A 437 -23.736 -7.505 -18.410 1.00 14.46 O ATOM 437 CB ASP A 437 -21.344 -5.680 -17.800 1.00 14.25 C ATOM 438 CG ASP A 437 -20.255 -4.954 -18.584 1.00 18.00 C ATOM 439 OD1 ASP A 437 -20.530 -4.320 -19.627 1.00 15.25 O ATOM 440 OD2 ASP A 437 -19.087 -5.058 -18.147 1.00 18.36 O ATOM 441 H ASP A 437 -22.504 -3.505 -17.101 1.00 0.00 H ATOM 442 N GLY A 438 -24.368 -6.275 -16.637 1.00 14.00 N ATOM 443 CA GLY A 438 -25.216 -7.311 -16.080 1.00 14.05 C ATOM 444 C GLY A 438 -26.514 -7.458 -16.854 1.00 14.96 C ATOM 445 O GLY A 438 -26.724 -6.836 -17.895 1.00 16.10 O ATOM 446 H GLY A 438 -24.293 -5.365 -16.140 1.00 0.00 H ATOM 447 N LEU A 439 -27.405 -8.290 -16.325 1.00 14.75 N ATOM 448 CA LEU A 439 -28.677 -8.493 -17.000 1.00 14.80 C ATOM 449 C LEU A 439 -29.374 -7.151 -17.206 1.00 15.48 C ATOM 450 O LEU A 439 -29.405 -6.316 -16.293 1.00 15.17 O ATOM 451 CB LEU A 439 -29.589 -9.397 -16.182 1.00 15.69 C ATOM 452 CG LEU A 439 -29.189 -10.858 -16.028 1.00 16.86 C ATOM 453 CD1 LEU A 439 -30.351 -11.618 -15.406 1.00 19.14 C ATOM 454 CD2 LEU A 439 -28.815 -11.479 -17.363 1.00 17.57 C ATOM 455 H LEU A 439 -27.195 -8.791 -15.438 1.00 0.00 H ATOM 456 N PRO A 440 -29.967 -6.920 -18.374 1.00 14.82 N ATOM 457 CA PRO A 440 -30.650 -5.630 -18.633 1.00 14.74 C ATOM 458 C PRO A 440 -32.046 -5.589 -18.022 1.00 15.69 C ATOM 459 O PRO A 440 -33.073 -5.550 -18.701 1.00 16.10 O ATOM 460 CB PRO A 440 -30.664 -5.573 -20.164 1.00 16.68 C ATOM 461 CG PRO A 440 -30.750 -7.015 -20.583 1.00 17.28 C ATOM 462 CD PRO A 440 -29.918 -7.782 -19.571 1.00 15.29 C ATOM 463 N LEU A 441 -32.089 -5.601 -16.691 1.00 16.53 N ATOM 464 CA LEU A 441 -33.357 -5.621 -15.978 1.00 16.78 C ATOM 465 C LEU A 441 -34.064 -4.282 -16.116 1.00 14.35 C ATOM 466 O LEU A 441 -33.429 -3.223 -16.115 1.00 18.51 O ATOM 467 CB LEU A 441 -33.118 -5.923 -14.500 1.00 16.22 C ATOM 468 CG LEU A 441 -32.411 -7.256 -14.227 1.00 16.93 C ATOM 469 CD1 LEU A 441 -32.156 -7.426 -12.731 1.00 24.33 C ATOM 470 CD2 LEU A 441 -33.211 -8.418 -14.775 1.00 19.85 C ATOM 471 H LEU A 441 -31.200 -5.596 -16.151 1.00 0.00 H ATOM 472 N GLN A 442 -35.386 -4.331 -16.213 1.00 16.83 N ATOM 473 CA GLN A 442 -36.197 -3.130 -16.367 1.00 18.24 C ATOM 474 C GLN A 442 -36.655 -2.606 -15.012 1.00 17.72 C ATOM 475 O GLN A 442 -37.013 -3.376 -14.121 1.00 19.67 O ATOM 476 CB GLN A 442 -37.421 -3.433 -17.233 1.00 19.10 C ATOM 477 CG GLN A 442 -37.077 -3.857 -18.654 1.00 23.27 C ATOM 478 CD GLN A 442 -36.249 -2.812 -19.372 1.00 28.71 C ATOM 479 OE1 GLN A 442 -36.690 -1.682 -19.560 1.00 29.14 O ATOM 480 NE2 GLN A 442 -35.037 -3.182 -19.763 1.00 35.18 N ATOM 481 HE22 GLN A 442 -34.705 -4.151 -19.582 1.00 0.00 H ATOM 482 HE21 GLN A 442 -34.418 -2.503 -20.251 1.00 0.00 H ATOM 483 H GLN A 442 -35.859 -5.257 -16.178 1.00 0.00 H ATOM 484 N ASP A 443 -36.628 -1.280 -14.867 1.00 18.35 N ATOM 485 CA ASP A 443 -37.208 -0.596 -13.705 1.00 21.06 C ATOM 486 C ASP A 443 -36.575 -1.041 -12.388 1.00 23.12 C ATOM 487 O ASP A 443 -37.266 -1.278 -11.392 1.00 24.91 O ATOM 488 CB ASP A 443 -38.731 -0.708 -13.665 1.00 31.82 C ATOM 489 CG ASP A 443 -39.405 0.138 -14.731 1.00 40.02 C ATOM 490 OD1 ASP A 443 -38.785 1.114 -15.210 1.00 35.11 O ATOM 491 OD2 ASP A 443 -40.561 -0.174 -15.084 1.00 47.91 O ATOM 492 H ASP A 443 -36.177 -0.707 -15.608 1.00 0.00 H ATOM 493 N VAL A 444 -35.251 -1.161 -12.389 1.00 15.89 N ATOM 494 CA VAL A 444 -34.503 -1.446 -11.173 1.00 16.50 C ATOM 495 C VAL A 444 -33.535 -0.341 -10.795 1.00 14.42 C ATOM 496 O VAL A 444 -33.094 -0.302 -9.638 1.00 15.04 O ATOM 497 CB VAL A 444 -33.763 -2.801 -11.234 1.00 16.54 C ATOM 498 CG1 VAL A 444 -34.720 -3.930 -11.539 1.00 17.80 C ATOM 499 CG2 VAL A 444 -32.645 -2.759 -12.268 1.00 18.18 C ATOM 500 H VAL A 444 -34.735 -1.048 -13.285 1.00 0.00 H ATOM 501 N TRP A 445 -33.162 0.546 -11.711 1.00 13.04 N ATOM 502 CA TRP A 445 -32.140 1.531 -11.399 1.00 11.28 C ATOM 503 C TRP A 445 -32.733 2.744 -10.700 1.00 13.99 C ATOM 504 O TRP A 445 -33.808 3.235 -11.062 1.00 12.67 O ATOM 505 CB TRP A 445 -31.425 1.998 -12.668 1.00 14.36 C ATOM 506 CG TRP A 445 -30.479 0.977 -13.248 1.00 15.27 C ATOM 507 CD1 TRP A 445 -30.763 0.062 -14.217 1.00 22.90 C ATOM 508 CD2 TRP A 445 -29.102 0.773 -12.891 1.00 15.97 C ATOM 509 NE1 TRP A 445 -29.646 -0.689 -14.499 1.00 20.21 N ATOM 510 CE2 TRP A 445 -28.617 -0.278 -13.696 1.00 17.94 C ATOM 511 CE3 TRP A 445 -28.230 1.389 -11.984 1.00 16.53 C ATOM 512 CZ2 TRP A 445 -27.301 -0.737 -13.615 1.00 16.42 C ATOM 513 CZ3 TRP A 445 -26.920 0.932 -11.907 1.00 17.86 C ATOM 514 CH2 TRP A 445 -26.473 -0.125 -12.717 1.00 18.31 C ATOM 515 HE1 TRP A 445 -29.592 -1.447 -15.209 1.00 0.00 H ATOM 516 H TRP A 445 -33.602 0.535 -12.653 1.00 0.00 H ATOM 517 N ARG A 446 -32.010 3.228 -9.698 1.00 13.32 N ATOM 518 CA ARG A 446 -32.355 4.449 -8.985 1.00 12.93 C ATOM 519 C ARG A 446 -31.115 5.318 -8.947 1.00 13.60 C ATOM 520 O ARG A 446 -30.036 4.845 -8.574 1.00 14.90 O ATOM 521 CB ARG A 446 -32.782 4.139 -7.557 1.00 13.87 C ATOM 522 CG ARG A 446 -34.045 3.329 -7.469 1.00 14.67 C ATOM 523 CD ARG A 446 -34.478 3.198 -6.032 1.00 18.90 C ATOM 524 NE ARG A 446 -35.810 2.617 -5.945 1.00 22.10 N ATOM 525 CZ ARG A 446 -36.628 2.796 -4.915 1.00 28.67 C ATOM 526 NH1 ARG A 446 -36.243 3.550 -3.892 1.00 34.52 N ATOM 527 NH2 ARG A 446 -37.828 2.233 -4.909 1.00 28.66 N ATOM 528 HE ARG A 446 -36.140 2.027 -6.736 1.00 0.00 H ATOM 529 HH12 ARG A 446 -36.880 3.693 -3.083 1.00 0.00 H ATOM 530 HH11 ARG A 446 -35.304 3.997 -3.900 1.00 0.00 H ATOM 531 HH22 ARG A 446 -38.465 2.376 -4.100 1.00 0.00 H ATOM 532 HH21 ARG A 446 -38.132 1.648 -5.713 1.00 0.00 H ATOM 533 H ARG A 446 -31.156 2.710 -9.408 1.00 0.00 H ATOM 534 N ILE A 447 -31.258 6.578 -9.334 1.00 10.46 N ATOM 535 CA ILE A 447 -30.129 7.497 -9.405 1.00 9.54 C ATOM 536 C ILE A 447 -30.289 8.547 -8.318 1.00 9.81 C ATOM 537 O ILE A 447 -31.293 9.273 -8.281 1.00 12.01 O ATOM 538 CB ILE A 447 -30.019 8.134 -10.794 1.00 12.30 C ATOM 539 CG1 ILE A 447 -29.763 7.032 -11.826 1.00 14.65 C ATOM 540 CG2 ILE A 447 -28.940 9.226 -10.806 1.00 12.88 C ATOM 541 CD1 ILE A 447 -29.610 7.526 -13.236 1.00 18.22 C ATOM 542 H ILE A 447 -32.205 6.921 -9.595 1.00 0.00 H ATOM 543 N TYR A 448 -29.299 8.636 -7.436 1.00 9.40 N ATOM 544 CA TYR A 448 -29.333 9.563 -6.309 1.00 9.36 C ATOM 545 C TYR A 448 -28.356 10.707 -6.530 1.00 8.95 C ATOM 546 O TYR A 448 -27.177 10.483 -6.826 1.00 10.49 O ATOM 547 CB TYR A 448 -29.026 8.847 -4.989 1.00 9.21 C ATOM 548 CG TYR A 448 -30.137 7.918 -4.572 1.00 8.48 C ATOM 549 CD1 TYR A 448 -30.183 6.617 -5.051 1.00 11.27 C ATOM 550 CD2 TYR A 448 -31.157 8.351 -3.735 1.00 9.87 C ATOM 551 CE1 TYR A 448 -31.214 5.763 -4.696 1.00 10.44 C ATOM 552 CE2 TYR A 448 -32.186 7.506 -3.366 1.00 10.81 C ATOM 553 CZ TYR A 448 -32.208 6.206 -3.850 1.00 10.42 C ATOM 554 OH TYR A 448 -33.224 5.353 -3.502 1.00 12.73 O ATOM 555 HH TYR A 448 -34.088 5.731 -3.802 1.00 0.00 H ATOM 556 H TYR A 448 -28.468 8.022 -7.553 1.00 0.00 H ATOM 557 N SER A 449 -28.857 11.927 -6.393 1.00 8.67 N ATOM 558 CA SER A 449 -28.083 13.146 -6.536 1.00 10.31 C ATOM 559 C SER A 449 -28.220 13.945 -5.250 1.00 8.94 C ATOM 560 O SER A 449 -29.147 13.735 -4.464 1.00 11.48 O ATOM 561 CB SER A 449 -28.585 13.980 -7.721 1.00 10.99 C ATOM 562 OG SER A 449 -29.975 14.208 -7.607 1.00 13.75 O ATOM 563 HG SER A 449 -30.451 13.340 -7.598 1.00 0.00 H ATOM 564 H SER A 449 -29.869 12.016 -6.169 1.00 0.00 H ATOM 565 N GLY A 450 -27.274 14.853 -5.027 1.00 9.97 N ATOM 566 CA GLY A 450 -27.331 15.659 -3.816 1.00 11.23 C ATOM 567 C GLY A 450 -27.205 14.842 -2.550 1.00 15.44 C ATOM 568 O GLY A 450 -27.866 15.146 -1.547 1.00 16.48 O ATOM 569 H GLY A 450 -26.502 14.986 -5.711 1.00 0.00 H ATOM 570 N ILE A 451 -26.376 13.800 -2.573 1.00 12.43 N ATOM 571 CA ILE A 451 -26.179 12.926 -1.422 1.00 14.23 C ATOM 572 C ILE A 451 -24.698 12.845 -1.079 1.00 12.58 C ATOM 573 O ILE A 451 -23.829 12.873 -1.956 1.00 14.60 O ATOM 574 CB ILE A 451 -26.737 11.501 -1.640 1.00 16.02 C ATOM 575 CG1 ILE A 451 -26.107 10.866 -2.875 1.00 18.66 C ATOM 576 CG2 ILE A 451 -28.280 11.493 -1.682 1.00 18.89 C ATOM 577 CD1 ILE A 451 -26.155 9.341 -2.861 1.00 26.47 C ATOM 578 H ILE A 451 -25.848 13.601 -3.447 1.00 0.00 H ATOM 579 N LEU A 452 -24.417 12.715 0.209 1.00 12.66 N ATOM 580 CA LEU A 452 -23.058 12.562 0.706 1.00 12.68 C ATOM 581 C LEU A 452 -22.783 11.178 1.268 1.00 12.22 C ATOM 582 O LEU A 452 -21.744 10.582 0.957 1.00 13.04 O ATOM 583 CB LEU A 452 -22.797 13.614 1.790 1.00 15.57 C ATOM 584 CG LEU A 452 -21.400 13.753 2.374 1.00 17.17 C ATOM 585 CD1 LEU A 452 -20.406 14.109 1.284 1.00 19.27 C ATOM 586 CD2 LEU A 452 -21.416 14.819 3.463 1.00 18.91 C ATOM 587 H LEU A 452 -25.200 12.723 0.893 1.00 0.00 H ATOM 588 N GLU A 453 -23.709 10.628 2.053 1.00 13.64 N ATOM 589 CA GLU A 453 -23.516 9.367 2.753 1.00 12.50 C ATOM 590 C GLU A 453 -24.570 8.377 2.290 1.00 15.45 C ATOM 591 O GLU A 453 -25.768 8.671 2.360 1.00 14.25 O ATOM 592 CB GLU A 453 -23.662 9.565 4.260 1.00 18.22 C ATOM 593 CG GLU A 453 -22.611 10.457 4.886 1.00 26.82 C ATOM 594 CD GLU A 453 -22.636 10.400 6.402 1.00 32.09 C ATOM 595 OE1 GLU A 453 -23.186 9.427 6.959 1.00 32.82 O ATOM 596 OE2 GLU A 453 -22.102 11.335 7.035 1.00 40.97 O ATOM 597 H GLU A 453 -24.615 11.125 2.171 1.00 0.00 H ATOM 598 N LEU A 454 -24.126 7.190 1.865 1.00 12.31 N ATOM 599 CA LEU A 454 -25.073 6.185 1.389 1.00 13.09 C ATOM 600 C LEU A 454 -26.045 5.757 2.481 1.00 16.41 C ATOM 601 O LEU A 454 -27.205 5.441 2.186 1.00 15.99 O ATOM 602 CB LEU A 454 -24.324 4.973 0.836 1.00 13.92 C ATOM 603 CG LEU A 454 -23.392 5.279 -0.333 1.00 14.38 C ATOM 604 CD1 LEU A 454 -22.690 3.999 -0.786 1.00 17.12 C ATOM 605 CD2 LEU A 454 -24.161 5.911 -1.480 1.00 16.10 C ATOM 606 H LEU A 454 -23.107 6.982 1.873 1.00 0.00 H ATOM 607 N SER A 455 -25.602 5.737 3.742 1.00 14.77 N ATOM 608 CA SER A 455 -26.472 5.334 4.840 1.00 16.97 C ATOM 609 C SER A 455 -27.624 6.308 5.066 1.00 15.61 C ATOM 610 O SER A 455 -28.593 5.950 5.750 1.00 20.74 O ATOM 611 CB SER A 455 -25.651 5.166 6.124 1.00 16.82 C ATOM 612 OG SER A 455 -25.070 6.398 6.519 1.00 20.14 O ATOM 613 HG SER A 455 -25.786 7.062 6.683 1.00 0.00 H ATOM 614 H SER A 455 -24.620 6.014 3.943 1.00 0.00 H ATOM 615 N ASP A 456 -27.542 7.535 4.539 1.00 16.30 N ATOM 616 CA ASP A 456 -28.660 8.463 4.671 1.00 18.52 C ATOM 617 C ASP A 456 -29.813 8.116 3.739 1.00 19.93 C ATOM 618 O ASP A 456 -30.909 8.658 3.911 1.00 20.92 O ATOM 619 CB ASP A 456 -28.247 9.907 4.362 1.00 21.62 C ATOM 620 CG ASP A 456 -27.319 10.503 5.404 1.00 31.86 C ATOM 621 OD1 ASP A 456 -27.191 9.932 6.507 1.00 31.73 O ATOM 622 OD2 ASP A 456 -26.724 11.564 5.108 1.00 38.65 O ATOM 623 H ASP A 456 -26.681 7.827 4.035 1.00 0.00 H ATOM 624 N ILE A 457 -29.599 7.249 2.750 1.00 14.47 N ATOM 625 CA ILE A 457 -30.661 6.934 1.796 1.00 14.84 C ATOM 626 C ILE A 457 -31.691 6.021 2.448 1.00 17.28 C ATOM 627 O ILE A 457 -31.362 4.928 2.924 1.00 19.66 O ATOM 628 CB ILE A 457 -30.089 6.290 0.531 1.00 14.84 C ATOM 629 CG1 ILE A 457 -29.173 7.275 -0.187 1.00 14.69 C ATOM 630 CG2 ILE A 457 -31.236 5.813 -0.368 1.00 17.53 C ATOM 631 CD1 ILE A 457 -28.397 6.666 -1.344 1.00 18.17 C ATOM 632 H ILE A 457 -28.669 6.793 2.656 1.00 0.00 H ATOM 633 N THR A 458 -32.950 6.454 2.453 1.00 14.36 N ATOM 634 CA THR A 458 -34.069 5.645 2.916 1.00 16.65 C ATOM 635 C THR A 458 -35.196 5.745 1.894 1.00 13.35 C ATOM 636 O THR A 458 -35.066 6.410 0.865 1.00 13.23 O ATOM 637 CB THR A 458 -34.563 6.118 4.287 1.00 21.92 C ATOM 638 OG1 THR A 458 -35.039 7.467 4.175 1.00 21.50 O ATOM 639 CG2 THR A 458 -33.436 6.079 5.298 1.00 21.84 C ATOM 640 HG1 THR A 458 -34.302 8.051 3.866 1.00 0.00 H ATOM 641 H THR A 458 -33.144 7.416 2.110 1.00 0.00 H ATOM 642 N LYS A 459 -36.328 5.097 2.196 1.00 15.79 N ATOM 643 CA LYS A 459 -37.428 5.092 1.235 1.00 16.85 C ATOM 644 C LYS A 459 -37.916 6.503 0.925 1.00 15.65 C ATOM 645 O LYS A 459 -38.421 6.756 -0.174 1.00 17.20 O ATOM 646 CB LYS A 459 -38.578 4.188 1.694 1.00 20.62 C ATOM 647 CG LYS A 459 -39.561 4.827 2.651 1.00 25.94 C ATOM 648 CD LYS A 459 -40.680 3.856 3.033 1.00 29.12 C ATOM 649 CE LYS A 459 -41.469 3.422 1.807 1.00 39.24 C ATOM 650 NZ LYS A 459 -42.661 2.602 2.166 1.00 50.98 N ATOM 651 HZ1 LYS A 459 -42.353 1.747 2.672 1.00 0.00 H ATOM 652 HZ2 LYS A 459 -43.292 3.159 2.777 1.00 0.00 H ATOM 653 HZ3 LYS A 459 -43.167 2.330 1.299 1.00 0.00 H ATOM 654 H LYS A 459 -36.423 4.602 3.106 1.00 0.00 H ATOM 655 N ASP A 460 -37.738 7.445 1.854 1.00 14.36 N ATOM 656 CA ASP A 460 -38.213 8.804 1.630 1.00 14.30 C ATOM 657 C ASP A 460 -37.225 9.679 0.867 1.00 13.19 C ATOM 658 O ASP A 460 -37.600 10.778 0.442 1.00 13.13 O ATOM 659 CB ASP A 460 -38.625 9.448 2.958 1.00 15.28 C ATOM 660 CG ASP A 460 -39.766 8.713 3.610 1.00 16.53 C ATOM 661 OD1 ASP A 460 -40.919 8.941 3.201 1.00 17.04 O ATOM 662 OD2 ASP A 460 -39.526 7.903 4.525 1.00 17.90 O ATOM 663 H ASP A 460 -37.257 7.207 2.745 1.00 0.00 H ATOM 664 N THR A 461 -36.001 9.214 0.660 1.00 12.44 N ATOM 665 CA THR A 461 -35.029 10.000 -0.088 1.00 11.48 C ATOM 666 C THR A 461 -35.442 10.070 -1.554 1.00 13.82 C ATOM 667 O THR A 461 -35.750 9.035 -2.154 1.00 13.84 O ATOM 668 CB THR A 461 -33.661 9.334 0.014 1.00 10.91 C ATOM 669 OG1 THR A 461 -33.349 9.134 1.396 1.00 11.97 O ATOM 670 CG2 THR A 461 -32.572 10.173 -0.674 1.00 10.66 C ATOM 671 HG1 THR A 461 -33.333 10.009 1.859 1.00 0.00 H ATOM 672 H THR A 461 -35.733 8.281 1.034 1.00 0.00 H ATOM 673 N PRO A 462 -35.472 11.250 -2.161 1.00 12.41 N ATOM 674 CA PRO A 462 -35.836 11.330 -3.580 1.00 13.11 C ATOM 675 C PRO A 462 -34.774 10.707 -4.466 1.00 11.74 C ATOM 676 O PRO A 462 -33.583 10.701 -4.142 1.00 12.05 O ATOM 677 CB PRO A 462 -35.940 12.837 -3.837 1.00 13.67 C ATOM 678 CG PRO A 462 -35.110 13.476 -2.765 1.00 15.28 C ATOM 679 CD PRO A 462 -35.223 12.573 -1.562 1.00 13.43 C ATOM 680 N PHE A 463 -35.220 10.182 -5.605 1.00 11.99 N ATOM 681 CA PHE A 463 -34.307 9.617 -6.589 1.00 11.56 C ATOM 682 C PHE A 463 -34.873 9.842 -7.983 1.00 11.45 C ATOM 683 O PHE A 463 -36.065 10.107 -8.155 1.00 14.55 O ATOM 684 CB PHE A 463 -34.034 8.123 -6.346 1.00 13.67 C ATOM 685 CG PHE A 463 -35.267 7.260 -6.385 1.00 15.16 C ATOM 686 CD1 PHE A 463 -36.017 7.050 -5.238 1.00 19.61 C ATOM 687 CD2 PHE A 463 -35.678 6.657 -7.567 1.00 14.85 C ATOM 688 CE1 PHE A 463 -37.149 6.259 -5.270 1.00 22.14 C ATOM 689 CE2 PHE A 463 -36.804 5.864 -7.603 1.00 16.51 C ATOM 690 CZ PHE A 463 -37.548 5.665 -6.458 1.00 19.13 C ATOM 691 H PHE A 463 -36.242 10.175 -5.796 1.00 0.00 H ATOM 692 N SER A 464 -33.993 9.736 -8.974 1.00 10.49 N ATOM 693 CA SER A 464 -34.351 9.801 -10.385 1.00 11.53 C ATOM 694 C SER A 464 -34.415 8.398 -10.972 1.00 11.57 C ATOM 695 O SER A 464 -33.795 7.458 -10.473 1.00 12.20 O ATOM 696 CB SER A 464 -33.332 10.633 -11.178 1.00 11.22 C ATOM 697 OG SER A 464 -33.271 11.973 -10.717 1.00 12.47 O ATOM 698 HG SER A 464 -33.004 11.981 -9.764 1.00 0.00 H ATOM 699 H SER A 464 -32.992 9.599 -8.728 1.00 0.00 H ATOM 700 N GLN A 465 -35.194 8.265 -12.033 1.00 12.74 N ATOM 701 CA GLN A 465 -35.332 7.007 -12.748 1.00 12.62 C ATOM 702 C GLN A 465 -34.844 7.168 -14.179 1.00 13.07 C ATOM 703 O GLN A 465 -34.711 8.283 -14.702 1.00 13.51 O ATOM 704 CB GLN A 465 -36.774 6.501 -12.730 1.00 13.17 C ATOM 705 CG GLN A 465 -37.231 6.111 -11.334 1.00 15.87 C ATOM 706 CD GLN A 465 -38.707 5.823 -11.266 1.00 19.84 C ATOM 707 OE1 GLN A 465 -39.453 6.505 -10.560 1.00 24.43 O ATOM 708 NE2 GLN A 465 -39.148 4.818 -12.007 1.00 18.02 N ATOM 709 HE22 GLN A 465 -38.483 4.269 -12.588 1.00 0.00 H ATOM 710 HE21 GLN A 465 -40.160 4.578 -12.008 1.00 0.00 H ATOM 711 H GLN A 465 -35.728 9.092 -12.368 1.00 0.00 H ATOM 712 N ILE A 466 -34.567 6.033 -14.802 1.00 12.61 N ATOM 713 CA ILE A 466 -34.015 5.998 -16.147 1.00 12.89 C ATOM 714 C ILE A 466 -35.153 6.021 -17.157 1.00 12.57 C ATOM 715 O ILE A 466 -36.073 5.192 -17.104 1.00 14.68 O ATOM 716 CB ILE A 466 -33.131 4.754 -16.338 1.00 15.49 C ATOM 717 CG1 ILE A 466 -31.910 4.830 -15.419 1.00 17.48 C ATOM 718 CG2 ILE A 466 -32.727 4.603 -17.802 1.00 18.79 C ATOM 719 CD1 ILE A 466 -30.910 3.693 -15.622 1.00 18.37 C ATOM 720 H ILE A 466 -34.751 5.134 -14.312 1.00 0.00 H ATOM 721 N LYS A 467 -35.100 6.989 -18.074 1.00 12.30 N ATOM 722 CA LYS A 467 -35.936 6.964 -19.266 1.00 12.30 C ATOM 723 C LYS A 467 -35.256 6.228 -20.414 1.00 12.52 C ATOM 724 O LYS A 467 -35.921 5.485 -21.148 1.00 16.36 O ATOM 725 CB LYS A 467 -36.279 8.394 -19.692 1.00 15.30 C ATOM 726 CG LYS A 467 -37.224 8.491 -20.879 1.00 19.18 C ATOM 727 CD LYS A 467 -37.619 9.937 -21.127 1.00 21.25 C ATOM 728 CE LYS A 467 -38.745 10.040 -22.143 1.00 26.82 C ATOM 729 NZ LYS A 467 -39.953 9.318 -21.671 1.00 38.83 N ATOM 730 HZ1 LYS A 467 -39.722 8.314 -21.528 1.00 0.00 H ATOM 731 HZ2 LYS A 467 -40.274 9.732 -20.773 1.00 0.00 H ATOM 732 HZ3 LYS A 467 -40.707 9.404 -22.382 1.00 0.00 H ATOM 733 H LYS A 467 -34.443 7.783 -17.933 1.00 0.00 H ATOM 734 N GLU A 468 -33.950 6.427 -20.584 1.00 13.02 N ATOM 735 CA GLU A 468 -33.208 5.811 -21.672 1.00 14.14 C ATOM 736 C GLU A 468 -31.753 5.642 -21.252 1.00 11.32 C ATOM 737 O GLU A 468 -31.187 6.500 -20.572 1.00 13.39 O ATOM 738 CB GLU A 468 -33.286 6.674 -22.938 1.00 16.93 C ATOM 739 CG GLU A 468 -32.687 6.017 -24.171 1.00 19.55 C ATOM 740 CD GLU A 468 -32.728 6.924 -25.390 1.00 25.56 C ATOM 741 OE1 GLU A 468 -33.147 8.094 -25.250 1.00 28.75 O ATOM 742 OE2 GLU A 468 -32.333 6.467 -26.483 1.00 26.13 O ATOM 743 H GLU A 468 -33.444 7.043 -19.916 1.00 0.00 H ATOM 744 N ILE A 469 -31.165 4.518 -21.644 1.00 14.24 N ATOM 745 CA ILE A 469 -29.737 4.265 -21.517 1.00 14.96 C ATOM 746 C ILE A 469 -29.175 4.237 -22.925 1.00 14.50 C ATOM 747 O ILE A 469 -29.715 3.544 -23.796 1.00 16.15 O ATOM 748 CB ILE A 469 -29.472 2.928 -20.805 1.00 15.49 C ATOM 749 CG1 ILE A 469 -29.974 2.971 -19.362 1.00 17.68 C ATOM 750 CG2 ILE A 469 -27.987 2.587 -20.836 1.00 17.79 C ATOM 751 CD1 ILE A 469 -30.082 1.588 -18.717 1.00 21.09 C ATOM 752 H ILE A 469 -31.759 3.776 -22.066 1.00 0.00 H ATOM 753 N ILE A 470 -28.112 4.998 -23.160 1.00 13.08 N ATOM 754 CA ILE A 470 -27.464 5.056 -24.466 1.00 13.44 C ATOM 755 C ILE A 470 -26.020 4.611 -24.262 1.00 11.83 C ATOM 756 O ILE A 470 -25.166 5.396 -23.832 1.00 13.52 O ATOM 757 CB ILE A 470 -27.538 6.453 -25.096 1.00 15.73 C ATOM 758 CG1 ILE A 470 -28.991 6.948 -25.155 1.00 16.93 C ATOM 759 CG2 ILE A 470 -26.929 6.445 -26.493 1.00 16.46 C ATOM 760 CD1 ILE A 470 -29.113 8.413 -25.584 1.00 17.71 C ATOM 761 H ILE A 470 -27.727 5.574 -22.384 1.00 0.00 H ATOM 762 N ILE A 471 -25.740 3.348 -24.552 1.00 14.88 N ATOM 763 CA ILE A 471 -24.391 2.803 -24.452 1.00 14.33 C ATOM 764 C ILE A 471 -23.685 3.052 -25.776 1.00 15.93 C ATOM 765 O ILE A 471 -24.257 2.831 -26.848 1.00 17.90 O ATOM 766 CB ILE A 471 -24.443 1.302 -24.116 1.00 15.85 C ATOM 767 CG1 ILE A 471 -25.028 1.071 -22.721 1.00 17.84 C ATOM 768 CG2 ILE A 471 -23.052 0.678 -24.241 1.00 17.43 C ATOM 769 CD1 ILE A 471 -25.418 -0.391 -22.444 1.00 20.04 C ATOM 770 H ILE A 471 -26.511 2.723 -24.862 1.00 0.00 H ATOM 771 N HIS A 472 -22.439 3.522 -25.720 1.00 15.46 N ATOM 772 CA HIS A 472 -21.724 3.785 -26.961 1.00 14.54 C ATOM 773 C HIS A 472 -21.743 2.557 -27.862 1.00 20.42 C ATOM 774 O HIS A 472 -21.516 1.431 -27.411 1.00 19.84 O ATOM 775 CB HIS A 472 -20.279 4.198 -26.693 1.00 14.99 C ATOM 776 CG HIS A 472 -19.620 4.821 -27.881 1.00 17.25 C ATOM 777 ND1 HIS A 472 -19.142 4.080 -28.942 1.00 22.10 N ATOM 778 CD2 HIS A 472 -19.387 6.119 -28.191 1.00 20.24 C ATOM 779 CE1 HIS A 472 -18.630 4.895 -29.846 1.00 20.93 C ATOM 780 NE2 HIS A 472 -18.765 6.137 -29.416 1.00 20.39 N ATOM 781 H HIS A 472 -21.983 3.699 -24.802 1.00 0.00 H ATOM 782 N GLN A 473 -22.009 2.789 -29.151 1.00 22.66 N ATOM 783 CA GLN A 473 -22.286 1.682 -30.062 1.00 27.76 C ATOM 784 C GLN A 473 -21.102 0.736 -30.209 1.00 27.67 C ATOM 785 O GLN A 473 -21.292 -0.437 -30.546 1.00 29.53 O ATOM 786 CB GLN A 473 -22.735 2.206 -31.429 1.00 37.45 C ATOM 787 CG GLN A 473 -21.854 3.299 -32.018 1.00 44.36 C ATOM 788 CD GLN A 473 -22.203 4.683 -31.494 1.00 48.82 C ATOM 789 OE1 GLN A 473 -22.894 4.823 -30.479 1.00 50.36 O ATOM 790 NE2 GLN A 473 -21.729 5.715 -32.188 1.00 44.58 N ATOM 791 HE22 GLN A 473 -21.151 5.549 -33.037 1.00 0.00 H ATOM 792 HE21 GLN A 473 -21.936 6.687 -31.882 1.00 0.00 H ATOM 793 H GLN A 473 -22.019 3.766 -29.508 1.00 0.00 H ATOM 794 N ASN A 474 -19.885 1.210 -29.969 1.00 22.97 N ATOM 795 CA ASN A 474 -18.702 0.388 -30.191 1.00 24.06 C ATOM 796 C ASN A 474 -18.145 -0.221 -28.912 1.00 21.84 C ATOM 797 O ASN A 474 -17.124 -0.909 -28.965 1.00 22.55 O ATOM 798 CB ASN A 474 -17.625 1.190 -30.927 1.00 25.80 C ATOM 799 CG ASN A 474 -18.072 1.630 -32.315 1.00 38.09 C ATOM 800 OD1 ASN A 474 -18.711 0.869 -33.043 1.00 43.08 O ATOM 801 ND2 ASN A 474 -17.743 2.863 -32.682 1.00 40.99 N ATOM 802 HD22 ASN A 474 -17.202 3.471 -32.035 1.00 0.00 H ATOM 803 HD21 ASN A 474 -18.026 3.220 -33.617 1.00 0.00 H ATOM 804 H ASN A 474 -19.774 2.182 -29.617 1.00 0.00 H ATOM 805 N TYR A 475 -18.794 -0.001 -27.772 1.00 17.52 N ATOM 806 CA TYR A 475 -18.358 -0.633 -26.535 1.00 16.02 C ATOM 807 C TYR A 475 -18.584 -2.145 -26.594 1.00 18.93 C ATOM 808 O TYR A 475 -19.631 -2.614 -27.054 1.00 22.24 O ATOM 809 CB TYR A 475 -19.113 -0.039 -25.339 1.00 16.51 C ATOM 810 CG TYR A 475 -18.896 -0.844 -24.088 1.00 15.29 C ATOM 811 CD1 TYR A 475 -17.718 -0.729 -23.359 1.00 14.40 C ATOM 812 CD2 TYR A 475 -19.842 -1.773 -23.665 1.00 17.90 C ATOM 813 CE1 TYR A 475 -17.502 -1.491 -22.224 1.00 15.39 C ATOM 814 CE2 TYR A 475 -19.635 -2.535 -22.531 1.00 14.89 C ATOM 815 CZ TYR A 475 -18.469 -2.403 -21.822 1.00 14.71 C ATOM 816 OH TYR A 475 -18.261 -3.164 -20.694 1.00 17.46 O ATOM 817 HH TYR A 475 -18.969 -2.969 -20.030 1.00 0.00 H ATOM 818 H TYR A 475 -19.621 0.629 -27.764 1.00 0.00 H ATOM 819 N LYS A 476 -17.586 -2.906 -26.123 1.00 16.90 N ATOM 820 CA LYS A 476 -17.649 -4.361 -26.001 1.00 17.01 C ATOM 821 C LYS A 476 -17.319 -4.788 -24.572 1.00 18.70 C ATOM 822 O LYS A 476 -16.388 -4.266 -23.958 1.00 18.37 O ATOM 823 CB LYS A 476 -16.648 -5.038 -26.947 1.00 21.08 C ATOM 824 CG LYS A 476 -16.980 -4.894 -28.414 1.00 28.58 C ATOM 825 CD LYS A 476 -15.984 -5.662 -29.274 1.00 35.68 C ATOM 826 CE LYS A 476 -16.476 -5.811 -30.705 1.00 48.53 C ATOM 827 NZ LYS A 476 -16.804 -4.497 -31.321 1.00 53.17 N ATOM 828 HZ1 LYS A 476 -17.551 -4.033 -30.767 1.00 0.00 H ATOM 829 HZ2 LYS A 476 -15.954 -3.898 -31.330 1.00 0.00 H ATOM 830 HZ3 LYS A 476 -17.135 -4.645 -32.296 1.00 0.00 H ATOM 831 H LYS A 476 -16.710 -2.430 -25.825 1.00 0.00 H ATOM 832 N VAL A 477 -18.073 -5.769 -24.059 1.00 19.67 N ATOM 833 CA VAL A 477 -17.910 -6.220 -22.678 1.00 19.05 C ATOM 834 C VAL A 477 -16.504 -6.769 -22.421 1.00 18.11 C ATOM 835 O VAL A 477 -15.938 -7.505 -23.237 1.00 24.16 O ATOM 836 CB VAL A 477 -18.995 -7.263 -22.357 1.00 20.51 C ATOM 837 CG1 VAL A 477 -18.723 -7.936 -21.019 1.00 20.88 C ATOM 838 CG2 VAL A 477 -20.374 -6.604 -22.372 1.00 20.07 C ATOM 839 H VAL A 477 -18.793 -6.221 -24.658 1.00 0.00 H ATOM 840 N SER A 478 -15.936 -6.409 -21.260 1.00 21.78 N ATOM 841 CA SER A 478 -14.608 -6.844 -20.809 1.00 23.08 C ATOM 842 C SER A 478 -13.467 -6.225 -21.608 1.00 23.79 C ATOM 843 O SER A 478 -12.337 -6.729 -21.578 1.00 23.08 O ATOM 844 CB SER A 478 -14.468 -8.369 -20.758 1.00 28.21 C ATOM 845 OG SER A 478 -15.337 -8.924 -19.788 1.00 39.33 O ATOM 846 HG SER A 478 -15.115 -8.554 -18.897 1.00 0.00 H ATOM 847 H SER A 478 -16.475 -5.776 -20.635 1.00 0.00 H ATOM 848 N GLU A 479 -13.743 -5.150 -22.337 1.00 24.75 N ATOM 849 CA GLU A 479 -12.736 -4.445 -23.111 1.00 22.45 C ATOM 850 C GLU A 479 -12.849 -2.961 -22.807 1.00 23.37 C ATOM 851 O GLU A 479 -13.886 -2.468 -22.352 1.00 21.67 O ATOM 852 CB GLU A 479 -12.859 -4.724 -24.622 1.00 19.81 C ATOM 853 CG GLU A 479 -12.689 -6.197 -24.974 1.00 28.26 C ATOM 854 CD GLU A 479 -12.672 -6.454 -26.470 1.00 27.43 C ATOM 855 OE1 GLU A 479 -12.687 -7.639 -26.867 1.00 32.60 O ATOM 856 OE2 GLU A 479 -12.638 -5.481 -27.253 1.00 25.17 O ATOM 857 H GLU A 479 -14.721 -4.798 -22.355 1.00 0.00 H ATOM 858 N GLY A 480 -11.754 -2.247 -23.047 1.00 21.81 N ATOM 859 CA GLY A 480 -11.665 -0.888 -22.562 1.00 21.61 C ATOM 860 C GLY A 480 -12.285 0.159 -23.455 1.00 18.50 C ATOM 861 O GLY A 480 -12.719 1.201 -22.966 1.00 19.65 O ATOM 862 H GLY A 480 -10.965 -2.664 -23.581 1.00 0.00 H ATOM 863 N ASN A 481 -12.346 -0.079 -24.757 1.00 15.44 N ATOM 864 CA ASN A 481 -12.680 1.015 -25.660 1.00 16.40 C ATOM 865 C ASN A 481 -14.108 1.510 -25.461 1.00 14.18 C ATOM 866 O ASN A 481 -15.047 0.727 -25.285 1.00 14.09 O ATOM 867 CB ASN A 481 -12.474 0.593 -27.107 1.00 15.57 C ATOM 868 CG ASN A 481 -11.033 0.270 -27.418 1.00 20.53 C ATOM 869 OD1 ASN A 481 -10.124 1.031 -27.089 1.00 21.01 O ATOM 870 ND2 ASN A 481 -10.814 -0.867 -28.069 1.00 26.15 N ATOM 871 HD22 ASN A 481 -11.613 -1.480 -28.327 1.00 0.00 H ATOM 872 HD21 ASN A 481 -9.843 -1.144 -28.320 1.00 0.00 H ATOM 873 H ASN A 481 -12.158 -1.032 -25.129 1.00 0.00 H ATOM 874 N HIS A 482 -14.270 2.829 -25.507 1.00 13.40 N ATOM 875 CA HIS A 482 -15.594 3.453 -25.551 1.00 13.49 C ATOM 876 C HIS A 482 -16.419 3.124 -24.313 1.00 11.76 C ATOM 877 O HIS A 482 -17.621 2.875 -24.400 1.00 12.48 O ATOM 878 CB HIS A 482 -16.352 3.092 -26.832 1.00 15.56 C ATOM 879 CG HIS A 482 -15.486 3.077 -28.047 1.00 15.91 C ATOM 880 ND1 HIS A 482 -14.777 4.182 -28.470 1.00 18.95 N ATOM 881 CD2 HIS A 482 -15.194 2.082 -28.916 1.00 17.69 C ATOM 882 CE1 HIS A 482 -14.096 3.869 -29.560 1.00 19.98 C ATOM 883 NE2 HIS A 482 -14.329 2.601 -29.849 1.00 22.02 N ATOM 884 H HIS A 482 -13.427 3.438 -25.512 1.00 0.00 H ATOM 885 N ASP A 483 -15.776 3.151 -23.146 1.00 11.66 N ATOM 886 CA ASP A 483 -16.456 2.851 -21.886 1.00 11.60 C ATOM 887 C ASP A 483 -17.204 4.100 -21.434 1.00 11.42 C ATOM 888 O ASP A 483 -16.770 4.853 -20.558 1.00 10.73 O ATOM 889 CB ASP A 483 -15.457 2.364 -20.846 1.00 10.75 C ATOM 890 CG ASP A 483 -16.124 1.683 -19.672 1.00 10.83 C ATOM 891 OD1 ASP A 483 -17.373 1.514 -19.684 1.00 10.40 O ATOM 892 OD2 ASP A 483 -15.391 1.299 -18.737 1.00 11.32 O ATOM 893 H ASP A 483 -14.764 3.392 -23.131 1.00 0.00 H ATOM 894 N ILE A 484 -18.355 4.322 -22.063 1.00 10.65 N ATOM 895 CA ILE A 484 -19.124 5.544 -21.846 1.00 11.04 C ATOM 896 C ILE A 484 -20.584 5.255 -22.163 1.00 9.58 C ATOM 897 O ILE A 484 -20.904 4.532 -23.114 1.00 11.77 O ATOM 898 CB ILE A 484 -18.566 6.716 -22.691 1.00 10.46 C ATOM 899 CG1 ILE A 484 -19.343 8.003 -22.407 1.00 11.17 C ATOM 900 CG2 ILE A 484 -18.578 6.387 -24.186 1.00 13.26 C ATOM 901 CD1 ILE A 484 -18.702 9.212 -23.057 1.00 14.79 C ATOM 902 H ILE A 484 -18.716 3.607 -22.726 1.00 0.00 H ATOM 903 N ALA A 485 -21.466 5.842 -21.357 1.00 9.21 N ATOM 904 CA ALA A 485 -22.900 5.705 -21.553 1.00 10.38 C ATOM 905 C ALA A 485 -23.588 6.966 -21.057 1.00 8.93 C ATOM 906 O ALA A 485 -23.156 7.573 -20.075 1.00 9.81 O ATOM 907 CB ALA A 485 -23.445 4.485 -20.794 1.00 12.56 C ATOM 908 H ALA A 485 -21.119 6.416 -20.563 1.00 0.00 H ATOM 909 N LEU A 486 -24.662 7.350 -21.745 1.00 10.62 N ATOM 910 CA LEU A 486 -25.533 8.427 -21.294 1.00 10.30 C ATOM 911 C LEU A 486 -26.800 7.839 -20.701 1.00 11.05 C ATOM 912 O LEU A 486 -27.318 6.827 -21.189 1.00 11.70 O ATOM 913 CB LEU A 486 -25.919 9.326 -22.469 1.00 12.06 C ATOM 914 CG LEU A 486 -24.875 10.363 -22.880 1.00 12.29 C ATOM 915 CD1 LEU A 486 -25.098 10.774 -24.325 1.00 15.00 C ATOM 916 CD2 LEU A 486 -24.934 11.567 -21.935 1.00 12.55 C ATOM 917 H LEU A 486 -24.887 6.863 -22.636 1.00 0.00 H ATOM 918 N ILE A 487 -27.307 8.486 -19.659 1.00 11.27 N ATOM 919 CA ILE A 487 -28.593 8.150 -19.058 1.00 10.32 C ATOM 920 C ILE A 487 -29.484 9.376 -19.169 1.00 9.87 C ATOM 921 O ILE A 487 -29.130 10.449 -18.662 1.00 11.33 O ATOM 922 CB ILE A 487 -28.443 7.753 -17.584 1.00 11.14 C ATOM 923 CG1 ILE A 487 -27.456 6.597 -17.429 1.00 13.29 C ATOM 924 CG2 ILE A 487 -29.803 7.382 -17.006 1.00 12.85 C ATOM 925 CD1 ILE A 487 -27.173 6.248 -15.968 1.00 16.01 C ATOM 926 H ILE A 487 -26.761 9.271 -19.251 1.00 0.00 H ATOM 927 N LYS A 488 -30.627 9.224 -19.829 1.00 10.69 N ATOM 928 CA LYS A 488 -31.655 10.256 -19.795 1.00 11.02 C ATOM 929 C LYS A 488 -32.611 9.933 -18.655 1.00 10.91 C ATOM 930 O LYS A 488 -33.121 8.809 -18.570 1.00 13.02 O ATOM 931 CB LYS A 488 -32.422 10.334 -21.113 1.00 14.46 C ATOM 932 CG LYS A 488 -33.323 11.555 -21.168 1.00 15.22 C ATOM 933 CD LYS A 488 -33.970 11.730 -22.526 1.00 15.93 C ATOM 934 CE LYS A 488 -34.660 13.082 -22.606 1.00 17.84 C ATOM 935 NZ LYS A 488 -35.265 13.295 -23.951 1.00 23.19 N ATOM 936 HZ1 LYS A 488 -34.519 13.257 -24.675 1.00 0.00 H ATOM 937 HZ2 LYS A 488 -35.967 12.550 -24.136 1.00 0.00 H ATOM 938 HZ3 LYS A 488 -35.729 14.225 -23.978 1.00 0.00 H ATOM 939 H LYS A 488 -30.790 8.356 -20.378 1.00 0.00 H ATOM 940 N LEU A 489 -32.818 10.904 -17.766 1.00 10.24 N ATOM 941 CA LEU A 489 -33.706 10.746 -16.621 1.00 10.82 C ATOM 942 C LEU A 489 -35.164 10.925 -17.039 1.00 11.79 C ATOM 943 O LEU A 489 -35.479 11.560 -18.050 1.00 13.60 O ATOM 944 CB LEU A 489 -33.374 11.778 -15.538 1.00 10.84 C ATOM 945 CG LEU A 489 -31.893 11.835 -15.163 1.00 10.40 C ATOM 946 CD1 LEU A 489 -31.657 12.888 -14.094 1.00 12.53 C ATOM 947 CD2 LEU A 489 -31.373 10.464 -14.704 1.00 11.66 C ATOM 948 H LEU A 489 -32.326 11.811 -17.894 1.00 0.00 H ATOM 949 N GLN A 490 -36.068 10.366 -16.228 1.00 11.94 N ATOM 950 CA GLN A 490 -37.498 10.475 -16.514 1.00 12.73 C ATOM 951 C GLN A 490 -38.047 11.873 -16.267 1.00 13.66 C ATOM 952 O GLN A 490 -39.093 12.215 -16.827 1.00 19.73 O ATOM 953 CB GLN A 490 -38.297 9.446 -15.706 1.00 15.86 C ATOM 954 CG GLN A 490 -38.084 8.022 -16.189 1.00 16.13 C ATOM 955 CD GLN A 490 -39.014 7.014 -15.549 1.00 20.63 C ATOM 956 OE1 GLN A 490 -39.959 7.372 -14.844 1.00 22.71 O ATOM 957 NE2 GLN A 490 -38.754 5.732 -15.806 1.00 20.69 N ATOM 958 HE22 GLN A 490 -37.945 5.476 -16.407 1.00 0.00 H ATOM 959 HE21 GLN A 490 -39.360 4.988 -15.405 1.00 0.00 H ATOM 960 H GLN A 490 -35.751 9.848 -15.384 1.00 0.00 H ATOM 961 N ALA A 491 -37.377 12.680 -15.448 1.00 14.10 N ATOM 962 CA ALA A 491 -37.826 14.026 -15.117 1.00 15.63 C ATOM 963 C ALA A 491 -36.606 14.919 -14.957 1.00 12.78 C ATOM 964 O ALA A 491 -35.559 14.448 -14.502 1.00 13.40 O ATOM 965 CB ALA A 491 -38.633 14.030 -13.809 1.00 16.12 C ATOM 966 H ALA A 491 -36.492 12.334 -15.025 1.00 0.00 H ATOM 967 N PRO A 492 -36.707 16.204 -15.307 1.00 14.74 N ATOM 968 CA PRO A 492 -35.564 17.105 -15.104 1.00 15.49 C ATOM 969 C PRO A 492 -35.333 17.388 -13.627 1.00 15.66 C ATOM 970 O PRO A 492 -36.271 17.639 -12.869 1.00 16.15 O ATOM 971 CB PRO A 492 -35.979 18.380 -15.847 1.00 15.28 C ATOM 972 CG PRO A 492 -37.467 18.358 -15.808 1.00 18.11 C ATOM 973 CD PRO A 492 -37.844 16.894 -15.935 1.00 16.66 C ATOM 974 N LEU A 493 -34.070 17.346 -13.227 1.00 12.37 N ATOM 975 CA LEU A 493 -33.675 17.715 -11.876 1.00 12.86 C ATOM 976 C LEU A 493 -33.412 19.208 -11.800 1.00 13.51 C ATOM 977 O LEU A 493 -32.822 19.797 -12.713 1.00 17.57 O ATOM 978 CB LEU A 493 -32.379 17.005 -11.483 1.00 14.86 C ATOM 979 CG LEU A 493 -32.451 15.520 -11.180 1.00 15.44 C ATOM 980 CD1 LEU A 493 -31.044 15.017 -10.983 1.00 15.65 C ATOM 981 CD2 LEU A 493 -33.271 15.296 -9.931 1.00 16.26 C ATOM 982 H LEU A 493 -33.338 17.040 -13.900 1.00 0.00 H ATOM 983 N GLU A 494 -33.851 19.823 -10.712 1.00 13.51 N ATOM 984 CA GLU A 494 -33.521 21.217 -10.461 1.00 13.77 C ATOM 985 C GLU A 494 -32.065 21.326 -10.024 1.00 12.74 C ATOM 986 O GLU A 494 -31.508 20.414 -9.404 1.00 14.90 O ATOM 987 CB GLU A 494 -34.422 21.781 -9.362 1.00 17.50 C ATOM 988 CG GLU A 494 -34.243 21.100 -8.013 1.00 22.31 C ATOM 989 CD GLU A 494 -35.270 21.531 -6.979 1.00 27.52 C ATOM 990 OE1 GLU A 494 -35.675 22.715 -6.981 1.00 24.40 O ATOM 991 OE2 GLU A 494 -35.669 20.674 -6.160 1.00 24.93 O ATOM 992 H GLU A 494 -34.438 19.303 -10.029 1.00 0.00 H ATOM 993 N TYR A 495 -31.442 22.444 -10.371 1.00 13.74 N ATOM 994 CA TYR A 495 -30.099 22.734 -9.896 1.00 13.65 C ATOM 995 C TYR A 495 -30.232 23.436 -8.552 1.00 15.60 C ATOM 996 O TYR A 495 -31.002 24.392 -8.415 1.00 18.25 O ATOM 997 CB TYR A 495 -29.353 23.641 -10.873 1.00 14.56 C ATOM 998 CG TYR A 495 -29.124 23.068 -12.258 1.00 13.81 C ATOM 999 CD1 TYR A 495 -29.222 21.703 -12.510 1.00 12.65 C ATOM 1000 CD2 TYR A 495 -28.801 23.908 -13.314 1.00 13.42 C ATOM 1001 CE1 TYR A 495 -29.006 21.194 -13.789 1.00 11.96 C ATOM 1002 CE2 TYR A 495 -28.574 23.414 -14.580 1.00 13.18 C ATOM 1003 CZ TYR A 495 -28.687 22.062 -14.811 1.00 12.22 C ATOM 1004 OH TYR A 495 -28.465 21.584 -16.085 1.00 14.85 O ATOM 1005 HH TYR A 495 -28.582 20.601 -16.093 1.00 0.00 H ATOM 1006 H TYR A 495 -31.922 23.125 -10.993 1.00 0.00 H ATOM 1007 N THR A 496 -29.501 22.951 -7.560 1.00 14.20 N ATOM 1008 CA THR A 496 -29.546 23.523 -6.226 1.00 15.57 C ATOM 1009 C THR A 496 -28.131 23.689 -5.702 1.00 15.68 C ATOM 1010 O THR A 496 -27.147 23.329 -6.349 1.00 18.61 O ATOM 1011 CB THR A 496 -30.310 22.614 -5.257 1.00 18.40 C ATOM 1012 OG1 THR A 496 -29.500 21.469 -4.959 1.00 14.82 O ATOM 1013 CG2 THR A 496 -31.624 22.149 -5.858 1.00 22.50 C ATOM 1014 HG1 THR A 496 -29.986 20.876 -4.333 1.00 0.00 H ATOM 1015 H THR A 496 -28.878 22.138 -7.741 1.00 0.00 H ATOM 1016 N GLU A 497 -28.072 24.203 -4.471 1.00 25.24 N ATOM 1017 CA GLU A 497 -26.840 24.283 -3.702 1.00 26.61 C ATOM 1018 C GLU A 497 -26.094 22.952 -3.660 1.00 21.20 C ATOM 1019 O GLU A 497 -24.862 22.927 -3.574 1.00 27.23 O ATOM 1020 CB GLU A 497 -27.236 24.724 -2.288 1.00 28.35 C ATOM 1021 CG GLU A 497 -26.106 25.048 -1.347 1.00 34.91 C ATOM 1022 CD GLU A 497 -26.589 25.749 -0.084 1.00 32.37 C ATOM 1023 OE1 GLU A 497 -25.739 26.065 0.773 1.00 33.22 O ATOM 1024 OE2 GLU A 497 -27.810 25.996 0.053 1.00 25.96 O ATOM 1025 H GLU A 497 -28.948 24.563 -4.042 1.00 0.00 H ATOM 1026 N PHE A 498 -26.815 21.835 -3.747 1.00 14.16 N ATOM 1027 CA PHE A 498 -26.251 20.519 -3.488 1.00 12.72 C ATOM 1028 C PHE A 498 -26.207 19.616 -4.704 1.00 11.78 C ATOM 1029 O PHE A 498 -25.600 18.540 -4.631 1.00 13.06 O ATOM 1030 CB PHE A 498 -27.061 19.820 -2.389 1.00 12.58 C ATOM 1031 CG PHE A 498 -27.112 20.596 -1.115 1.00 13.75 C ATOM 1032 CD1 PHE A 498 -26.042 20.566 -0.248 1.00 19.54 C ATOM 1033 CD2 PHE A 498 -28.197 21.396 -0.808 1.00 15.26 C ATOM 1034 CE1 PHE A 498 -26.064 21.290 0.926 1.00 17.74 C ATOM 1035 CE2 PHE A 498 -28.234 22.130 0.366 1.00 16.12 C ATOM 1036 CZ PHE A 498 -27.153 22.078 1.234 1.00 16.62 C ATOM 1037 H PHE A 498 -27.819 21.906 -4.010 1.00 0.00 H ATOM 1038 N GLN A 499 -26.834 20.011 -5.809 1.00 11.20 N ATOM 1039 CA GLN A 499 -26.831 19.201 -7.020 1.00 12.14 C ATOM 1040 C GLN A 499 -26.837 20.136 -8.219 1.00 11.03 C ATOM 1041 O GLN A 499 -27.741 20.966 -8.367 1.00 12.28 O ATOM 1042 CB GLN A 499 -28.002 18.209 -7.055 1.00 19.16 C ATOM 1043 CG GLN A 499 -29.357 18.822 -7.110 1.00 19.60 C ATOM 1044 CD GLN A 499 -30.474 17.788 -7.114 1.00 16.39 C ATOM 1045 OE1 GLN A 499 -30.342 16.685 -6.571 1.00 17.98 O ATOM 1046 NE2 GLN A 499 -31.588 18.149 -7.724 1.00 13.71 N ATOM 1047 HE22 GLN A 499 -31.657 19.087 -8.168 1.00 0.00 H ATOM 1048 HE21 GLN A 499 -32.396 17.496 -7.760 1.00 0.00 H ATOM 1049 H GLN A 499 -27.339 20.920 -5.808 1.00 0.00 H ATOM 1050 N LYS A 500 -25.792 20.039 -9.032 1.00 9.72 N ATOM 1051 CA LYS A 500 -25.528 20.970 -10.120 1.00 11.77 C ATOM 1052 C LYS A 500 -24.732 20.210 -11.157 1.00 11.08 C ATOM 1053 O LYS A 500 -23.993 19.288 -10.801 1.00 10.70 O ATOM 1054 CB LYS A 500 -24.622 22.132 -9.670 1.00 19.14 C ATOM 1055 CG LYS A 500 -25.007 22.892 -8.425 1.00 20.75 C ATOM 1056 CD LYS A 500 -24.015 24.039 -8.226 1.00 18.23 C ATOM 1057 CE LYS A 500 -24.125 24.654 -6.848 1.00 29.35 C ATOM 1058 NZ LYS A 500 -23.037 25.643 -6.639 1.00 37.39 N ATOM 1059 HZ1 LYS A 500 -22.116 25.168 -6.728 1.00 0.00 H ATOM 1060 HZ2 LYS A 500 -23.111 26.394 -7.354 1.00 0.00 H ATOM 1061 HZ3 LYS A 500 -23.125 26.057 -5.689 1.00 0.00 H ATOM 1062 H LYS A 500 -25.125 19.255 -8.884 1.00 0.00 H ATOM 1063 N PRO A 501 -24.790 20.616 -12.419 1.00 11.00 N ATOM 1064 CA PRO A 501 -24.028 19.913 -13.454 1.00 10.08 C ATOM 1065 C PRO A 501 -22.553 20.289 -13.459 1.00 9.49 C ATOM 1066 O PRO A 501 -22.149 21.379 -13.046 1.00 12.09 O ATOM 1067 CB PRO A 501 -24.701 20.378 -14.750 1.00 13.20 C ATOM 1068 CG PRO A 501 -25.176 21.766 -14.428 1.00 17.70 C ATOM 1069 CD PRO A 501 -25.603 21.720 -12.965 1.00 14.64 C ATOM 1070 N ILE A 502 -21.749 19.351 -13.936 1.00 9.26 N ATOM 1071 CA ILE A 502 -20.344 19.607 -14.248 1.00 9.37 C ATOM 1072 C ILE A 502 -20.247 20.036 -15.706 1.00 9.74 C ATOM 1073 O ILE A 502 -20.877 19.430 -16.589 1.00 10.67 O ATOM 1074 CB ILE A 502 -19.492 18.355 -13.978 1.00 8.02 C ATOM 1075 CG1 ILE A 502 -18.021 18.614 -14.326 1.00 9.13 C ATOM 1076 CG2 ILE A 502 -20.016 17.147 -14.749 1.00 10.19 C ATOM 1077 CD1 ILE A 502 -17.325 19.639 -13.414 1.00 10.55 C ATOM 1078 H ILE A 502 -22.131 18.397 -14.094 1.00 0.00 H ATOM 1079 N SER A 503 -19.472 21.091 -15.963 1.00 9.62 N ATOM 1080 CA SER A 503 -19.298 21.589 -17.321 1.00 10.68 C ATOM 1081 C SER A 503 -18.516 20.598 -18.172 1.00 12.62 C ATOM 1082 O SER A 503 -17.514 20.026 -17.732 1.00 11.26 O ATOM 1083 CB SER A 503 -18.545 22.913 -17.316 1.00 12.50 C ATOM 1084 OG SER A 503 -19.335 23.937 -16.754 1.00 15.52 O ATOM 1085 HG SER A 503 -19.568 23.698 -15.822 1.00 0.00 H ATOM 1086 H SER A 503 -18.983 21.567 -15.179 1.00 0.00 H ATOM 1087 N LEU A 504 -18.967 20.410 -19.398 1.00 11.59 N ATOM 1088 CA LEU A 504 -18.249 19.544 -20.316 1.00 12.38 C ATOM 1089 C LEU A 504 -17.072 20.294 -20.937 1.00 12.77 C ATOM 1090 O LEU A 504 -17.090 21.519 -21.038 1.00 13.56 O ATOM 1091 CB LEU A 504 -19.192 19.067 -21.420 1.00 12.44 C ATOM 1092 CG LEU A 504 -20.277 18.117 -20.914 1.00 12.88 C ATOM 1093 CD1 LEU A 504 -21.323 17.918 -21.989 1.00 13.02 C ATOM 1094 CD2 LEU A 504 -19.670 16.780 -20.521 1.00 13.11 C ATOM 1095 H LEU A 504 -19.840 20.884 -19.708 1.00 0.00 H ATOM 1096 N PRO A 505 -16.036 19.574 -21.360 1.00 12.42 N ATOM 1097 CA PRO A 505 -14.884 20.224 -21.989 1.00 16.74 C ATOM 1098 C PRO A 505 -15.222 20.711 -23.389 1.00 21.06 C ATOM 1099 O PRO A 505 -16.164 20.245 -24.033 1.00 21.87 O ATOM 1100 CB PRO A 505 -13.833 19.108 -22.029 1.00 19.46 C ATOM 1101 CG PRO A 505 -14.638 17.836 -22.071 1.00 16.08 C ATOM 1102 CD PRO A 505 -15.899 18.110 -21.286 1.00 13.64 C ATOM 1103 N SER A 506 -14.443 21.686 -23.851 1.00 30.59 N ATOM 1104 CA SER A 506 -14.641 22.267 -25.176 1.00 46.08 C ATOM 1105 C SER A 506 -14.773 21.192 -26.252 1.00 49.97 C ATOM 1106 O SER A 506 -13.888 20.350 -26.415 1.00 52.50 O ATOM 1107 CB SER A 506 -13.480 23.196 -25.527 1.00 50.10 C ATOM 1108 OG SER A 506 -12.279 22.459 -25.665 1.00 49.15 O ATOM 1109 HG SER A 506 -12.076 21.998 -24.813 1.00 0.00 H ATOM 1110 H SER A 506 -13.672 22.044 -23.252 1.00 0.00 H TER 1111 SER A 506 ATOM 1112 N THR A 512 -5.073 22.179 -23.715 1.00 51.27 N ATOM 1113 CA THR A 512 -4.957 22.554 -22.311 1.00 49.55 C ATOM 1114 C THR A 512 -4.259 21.464 -21.505 1.00 39.90 C ATOM 1115 O THR A 512 -4.573 20.280 -21.632 1.00 39.12 O ATOM 1116 CB THR A 512 -6.336 22.830 -21.686 1.00 56.27 C ATOM 1117 OG1 THR A 512 -6.180 23.139 -20.295 1.00 59.51 O ATOM 1118 CG2 THR A 512 -7.239 21.616 -21.837 1.00 56.37 C ATOM 1119 HG1 THR A 512 -7.068 23.316 -19.896 1.00 0.00 H ATOM 1120 HN3 THR A 512 -5.626 21.302 -23.794 1.00 0.00 H ATOM 1121 HN2 THR A 512 -4.124 22.029 -24.112 1.00 0.00 H ATOM 1122 HN1 THR A 512 -5.552 22.940 -24.237 1.00 0.00 H ATOM 1123 N ILE A 513 -3.307 21.875 -20.674 1.00 38.02 N ATOM 1124 CA ILE A 513 -2.570 20.967 -19.803 1.00 35.43 C ATOM 1125 C ILE A 513 -3.167 21.132 -18.411 1.00 34.87 C ATOM 1126 O ILE A 513 -2.888 22.111 -17.714 1.00 36.78 O ATOM 1127 CB ILE A 513 -1.068 21.263 -19.818 1.00 34.14 C ATOM 1128 CG1 ILE A 513 -0.493 21.024 -21.216 1.00 32.83 C ATOM 1129 CG2 ILE A 513 -0.350 20.415 -18.775 1.00 32.67 C ATOM 1130 CD1 ILE A 513 0.891 21.625 -21.420 1.00 32.69 C ATOM 1131 H ILE A 513 -3.077 22.889 -20.643 1.00 0.00 H ATOM 1132 N TYR A 514 -4.001 20.176 -18.008 1.00 28.37 N ATOM 1133 CA TYR A 514 -4.730 20.298 -16.756 1.00 29.80 C ATOM 1134 C TYR A 514 -3.830 19.997 -15.575 1.00 23.45 C ATOM 1135 O TYR A 514 -3.143 18.967 -15.534 1.00 25.51 O ATOM 1136 CB TYR A 514 -5.915 19.342 -16.710 1.00 24.20 C ATOM 1137 CG TYR A 514 -7.015 19.647 -17.683 1.00 20.21 C ATOM 1138 CD1 TYR A 514 -7.941 20.648 -17.429 1.00 26.38 C ATOM 1139 CD2 TYR A 514 -7.146 18.911 -18.847 1.00 21.90 C ATOM 1140 CE1 TYR A 514 -8.960 20.911 -18.321 1.00 30.06 C ATOM 1141 CE2 TYR A 514 -8.153 19.163 -19.739 1.00 25.42 C ATOM 1142 CZ TYR A 514 -9.059 20.163 -19.476 1.00 32.46 C ATOM 1143 OH TYR A 514 -10.067 20.410 -20.379 1.00 39.95 O ATOM 1144 HH TYR A 514 -10.630 21.153 -20.048 1.00 0.00 H ATOM 1145 H TYR A 514 -4.133 19.329 -18.597 1.00 0.00 H ATOM 1146 N THR A 515 -3.847 20.903 -14.613 1.00 38.87 N ATOM 1147 CA THR A 515 -3.435 20.622 -13.259 1.00 40.88 C ATOM 1148 C THR A 515 -4.667 20.728 -12.365 1.00 34.85 C ATOM 1149 O THR A 515 -5.716 21.248 -12.757 1.00 44.95 O ATOM 1150 CB THR A 515 -2.297 21.557 -12.823 1.00 47.79 C ATOM 1151 OG1 THR A 515 -2.706 22.919 -12.981 1.00 45.81 O ATOM 1152 CG2 THR A 515 -1.050 21.306 -13.660 1.00 46.62 C ATOM 1153 HG1 THR A 515 -3.505 23.090 -12.421 1.00 0.00 H ATOM 1154 H THR A 515 -4.173 21.864 -14.843 1.00 0.00 H ATOM 1155 N ASN A 516 -4.531 20.184 -11.162 1.00 21.54 N ATOM 1156 CA ASN A 516 -5.560 20.170 -10.130 1.00 13.92 C ATOM 1157 C ASN A 516 -6.763 19.322 -10.538 1.00 15.30 C ATOM 1158 O ASN A 516 -7.872 19.809 -10.758 1.00 22.24 O ATOM 1159 CB ASN A 516 -5.994 21.558 -9.666 1.00 16.01 C ATOM 1160 CG ASN A 516 -6.800 21.479 -8.407 1.00 15.23 C ATOM 1161 OD1 ASN A 516 -6.635 20.527 -7.638 1.00 17.43 O ATOM 1162 ND2 ASN A 516 -7.715 22.423 -8.200 1.00 19.62 N ATOM 1163 HD22 ASN A 516 -7.816 23.206 -8.877 1.00 0.00 H ATOM 1164 HD21 ASN A 516 -8.329 22.378 -7.361 1.00 0.00 H ATOM 1165 H ASN A 516 -3.621 19.733 -10.939 1.00 0.00 H ATOM 1166 N CYS A 517 -6.523 18.022 -10.564 1.00 10.72 N ATOM 1167 CA CYS A 517 -7.532 17.048 -10.940 1.00 12.07 C ATOM 1168 C CYS A 517 -7.913 16.184 -9.747 1.00 10.66 C ATOM 1169 O CYS A 517 -7.051 15.789 -8.951 1.00 10.33 O ATOM 1170 CB CYS A 517 -7.041 16.153 -12.077 1.00 11.17 C ATOM 1171 SG CYS A 517 -6.627 17.077 -13.575 1.00 13.39 S ATOM 1172 H CYS A 517 -5.574 17.684 -10.305 1.00 0.00 H ATOM 1173 N TRP A 518 -9.207 15.889 -9.638 1.00 8.59 N ATOM 1174 CA TRP A 518 -9.775 15.131 -8.530 1.00 8.04 C ATOM 1175 C TRP A 518 -10.674 14.033 -9.062 1.00 8.45 C ATOM 1176 O TRP A 518 -11.333 14.189 -10.094 1.00 8.71 O ATOM 1177 CB TRP A 518 -10.596 16.043 -7.613 1.00 8.97 C ATOM 1178 CG TRP A 518 -9.738 17.009 -6.850 1.00 8.40 C ATOM 1179 CD1 TRP A 518 -9.161 18.162 -7.325 1.00 9.93 C ATOM 1180 CD2 TRP A 518 -9.344 16.907 -5.475 1.00 9.26 C ATOM 1181 NE1 TRP A 518 -8.435 18.774 -6.329 1.00 11.81 N ATOM 1182 CE2 TRP A 518 -8.544 18.027 -5.182 1.00 10.12 C ATOM 1183 CE3 TRP A 518 -9.614 15.986 -4.460 1.00 9.35 C ATOM 1184 CZ2 TRP A 518 -7.997 18.244 -3.920 1.00 11.57 C ATOM 1185 CZ3 TRP A 518 -9.064 16.203 -3.201 1.00 10.72 C ATOM 1186 CH2 TRP A 518 -8.268 17.316 -2.949 1.00 10.43 C ATOM 1187 HE1 TRP A 518 -7.893 19.656 -6.429 1.00 0.00 H ATOM 1188 H TRP A 518 -9.849 16.218 -10.387 1.00 0.00 H ATOM 1189 N VAL A 519 -10.706 12.930 -8.324 1.00 8.61 N ATOM 1190 CA VAL A 519 -11.570 11.798 -8.612 1.00 8.45 C ATOM 1191 C VAL A 519 -12.346 11.492 -7.341 1.00 8.64 C ATOM 1192 O VAL A 519 -11.795 11.561 -6.234 1.00 9.02 O ATOM 1193 CB VAL A 519 -10.746 10.573 -9.055 1.00 8.53 C ATOM 1194 CG1 VAL A 519 -11.672 9.454 -9.521 1.00 7.91 C ATOM 1195 CG2 VAL A 519 -9.731 10.970 -10.127 1.00 12.26 C ATOM 1196 H VAL A 519 -10.079 12.873 -7.496 1.00 0.00 H ATOM 1197 N THR A 520 -13.628 11.171 -7.494 1.00 7.58 N ATOM 1198 CA THR A 520 -14.513 11.017 -6.343 1.00 8.04 C ATOM 1199 C THR A 520 -15.388 9.779 -6.490 1.00 8.18 C ATOM 1200 O THR A 520 -15.667 9.316 -7.600 1.00 8.50 O ATOM 1201 CB THR A 520 -15.394 12.281 -6.165 1.00 8.73 C ATOM 1202 OG1 THR A 520 -16.109 12.563 -7.376 1.00 9.87 O ATOM 1203 CG2 THR A 520 -14.539 13.492 -5.825 1.00 9.69 C ATOM 1204 HG1 THR A 520 -16.689 11.793 -7.602 1.00 0.00 H ATOM 1205 H THR A 520 -14.007 11.027 -8.452 1.00 0.00 H ATOM 1206 N GLY A 521 -15.832 9.247 -5.362 1.00 7.66 N ATOM 1207 CA GLY A 521 -16.778 8.151 -5.417 1.00 7.69 C ATOM 1208 C GLY A 521 -16.906 7.410 -4.103 1.00 8.82 C ATOM 1209 O GLY A 521 -16.226 7.701 -3.112 1.00 9.40 O ATOM 1210 H GLY A 521 -15.505 9.612 -4.445 1.00 0.00 H ATOM 1211 N TRP A 522 -17.807 6.427 -4.126 1.00 8.39 N ATOM 1212 CA TRP A 522 -18.089 5.571 -2.983 1.00 9.67 C ATOM 1213 C TRP A 522 -17.477 4.180 -3.125 1.00 10.14 C ATOM 1214 O TRP A 522 -17.864 3.269 -2.386 1.00 11.82 O ATOM 1215 CB TRP A 522 -19.600 5.451 -2.762 1.00 11.25 C ATOM 1216 CG TRP A 522 -20.298 6.709 -2.312 1.00 9.40 C ATOM 1217 CD1 TRP A 522 -20.427 7.158 -1.030 1.00 10.54 C ATOM 1218 CD2 TRP A 522 -21.004 7.646 -3.139 1.00 8.90 C ATOM 1219 NE1 TRP A 522 -21.153 8.326 -1.003 1.00 9.48 N ATOM 1220 CE2 TRP A 522 -21.529 8.645 -2.284 1.00 8.68 C ATOM 1221 CE3 TRP A 522 -21.242 7.744 -4.514 1.00 8.79 C ATOM 1222 CZ2 TRP A 522 -22.268 9.728 -2.766 1.00 10.65 C ATOM 1223 CZ3 TRP A 522 -21.984 8.821 -4.991 1.00 8.69 C ATOM 1224 CH2 TRP A 522 -22.496 9.791 -4.119 1.00 9.13 C ATOM 1225 HE1 TRP A 522 -21.380 8.877 -0.151 1.00 0.00 H ATOM 1226 H TRP A 522 -18.336 6.264 -5.007 1.00 0.00 H ATOM 1227 N GLY A 523 -16.525 4.002 -4.041 1.00 9.86 N ATOM 1228 CA GLY A 523 -15.944 2.693 -4.294 1.00 9.30 C ATOM 1229 C GLY A 523 -14.976 2.228 -3.215 1.00 10.69 C ATOM 1230 O GLY A 523 -14.752 2.878 -2.186 1.00 11.64 O ATOM 1231 H GLY A 523 -16.189 4.820 -4.589 1.00 0.00 H ATOM 1232 N PHE A 524 -14.389 1.051 -3.474 1.00 11.88 N ATOM 1233 CA PHE A 524 -13.479 0.414 -2.526 1.00 13.67 C ATOM 1234 C PHE A 524 -12.343 1.354 -2.132 1.00 13.40 C ATOM 1235 O PHE A 524 -11.808 2.097 -2.962 1.00 12.33 O ATOM 1236 CB PHE A 524 -12.830 -0.830 -3.147 1.00 13.93 C ATOM 1237 CG PHE A 524 -13.765 -1.985 -3.420 1.00 15.75 C ATOM 1238 CD1 PHE A 524 -15.131 -1.907 -3.201 1.00 16.25 C ATOM 1239 CD2 PHE A 524 -13.240 -3.171 -3.908 1.00 18.68 C ATOM 1240 CE1 PHE A 524 -15.954 -3.011 -3.479 1.00 17.17 C ATOM 1241 CE2 PHE A 524 -14.049 -4.258 -4.182 1.00 18.61 C ATOM 1242 CZ PHE A 524 -15.401 -4.181 -3.965 1.00 19.03 C ATOM 1243 H PHE A 524 -14.588 0.577 -4.378 1.00 0.00 H ATOM 1244 N SER A 525 -11.938 1.278 -0.866 1.00 15.10 N ATOM 1245 CA SER A 525 -10.795 2.041 -0.381 1.00 16.46 C ATOM 1246 C SER A 525 -9.501 1.241 -0.425 1.00 16.23 C ATOM 1247 O SER A 525 -8.439 1.779 -0.085 1.00 19.28 O ATOM 1248 CB SER A 525 -11.051 2.554 1.041 1.00 19.27 C ATOM 1249 OG SER A 525 -11.145 1.483 1.963 1.00 22.10 O ATOM 1250 HG SER A 525 -11.893 0.889 1.702 1.00 0.00 H ATOM 1251 H SER A 525 -12.450 0.658 -0.206 1.00 0.00 H ATOM 1252 N LYS A 526 -9.573 -0.019 -0.848 1.00 16.71 N ATOM 1253 CA LYS A 526 -8.417 -0.878 -1.047 1.00 22.43 C ATOM 1254 C LYS A 526 -8.808 -1.936 -2.066 1.00 20.01 C ATOM 1255 O LYS A 526 -9.992 -2.161 -2.336 1.00 18.80 O ATOM 1256 CB LYS A 526 -7.953 -1.529 0.260 1.00 24.97 C ATOM 1257 CG LYS A 526 -8.946 -2.517 0.848 1.00 31.94 C ATOM 1258 CD LYS A 526 -8.374 -3.174 2.096 1.00 43.90 C ATOM 1259 CE LYS A 526 -9.302 -4.248 2.639 1.00 46.95 C ATOM 1260 NZ LYS A 526 -8.782 -4.823 3.912 1.00 51.96 N ATOM 1261 HZ1 LYS A 526 -7.848 -5.248 3.743 1.00 0.00 H ATOM 1262 HZ2 LYS A 526 -8.698 -4.069 4.623 1.00 0.00 H ATOM 1263 HZ3 LYS A 526 -9.439 -5.553 4.255 1.00 0.00 H ATOM 1264 H LYS A 526 -10.514 -0.413 -1.049 1.00 0.00 H ATOM 1265 N GLU A 527 -7.792 -2.591 -2.621 1.00 25.25 N ATOM 1266 CA GLU A 527 -8.007 -3.490 -3.748 1.00 28.74 C ATOM 1267 C GLU A 527 -9.103 -4.513 -3.463 1.00 33.35 C ATOM 1268 O GLU A 527 -9.998 -4.727 -4.289 1.00 40.46 O ATOM 1269 CB GLU A 527 -6.692 -4.173 -4.110 1.00 29.71 C ATOM 1270 CG GLU A 527 -6.568 -4.508 -5.572 1.00 28.84 C ATOM 1271 CD GLU A 527 -5.144 -4.829 -5.955 1.00 27.38 C ATOM 1272 OE1 GLU A 527 -4.379 -3.893 -6.272 1.00 18.46 O ATOM 1273 OE2 GLU A 527 -4.782 -6.023 -5.918 1.00 30.61 O ATOM 1274 H GLU A 527 -6.831 -2.460 -2.246 1.00 0.00 H ATOM 1275 N LYS A 528 -9.050 -5.162 -2.300 1.00 30.18 N ATOM 1276 CA LYS A 528 -10.055 -6.171 -1.980 1.00 34.19 C ATOM 1277 C LYS A 528 -11.014 -5.647 -0.921 1.00 30.52 C ATOM 1278 O LYS A 528 -11.276 -6.324 0.078 1.00 33.10 O ATOM 1279 CB LYS A 528 -9.393 -7.460 -1.482 1.00 35.05 C ATOM 1280 CG LYS A 528 -8.046 -7.774 -2.115 1.00 47.98 C ATOM 1281 CD LYS A 528 -6.924 -6.980 -1.453 1.00 53.44 C ATOM 1282 CE LYS A 528 -5.555 -7.442 -1.934 1.00 55.49 C ATOM 1283 NZ LYS A 528 -4.457 -6.617 -1.362 1.00 57.78 N ATOM 1284 HZ1 LYS A 528 -4.585 -5.625 -1.648 1.00 0.00 H ATOM 1285 HZ2 LYS A 528 -4.478 -6.685 -0.324 1.00 0.00 H ATOM 1286 HZ3 LYS A 528 -3.543 -6.966 -1.715 1.00 0.00 H ATOM 1287 H LYS A 528 -8.292 -4.949 -1.620 1.00 0.00 H ATOM 1288 N GLY A 529 -11.552 -4.457 -1.138 1.00 24.65 N ATOM 1289 CA GLY A 529 -12.271 -3.724 -0.116 1.00 22.01 C ATOM 1290 C GLY A 529 -13.775 -3.782 -0.269 1.00 21.62 C ATOM 1291 O GLY A 529 -14.340 -4.766 -0.764 1.00 21.26 O ATOM 1292 H GLY A 529 -11.454 -4.031 -2.082 1.00 0.00 H ATOM 1293 N GLU A 530 -14.435 -2.713 0.179 1.00 18.22 N ATOM 1294 CA GLU A 530 -15.887 -2.622 0.186 1.00 19.93 C ATOM 1295 C GLU A 530 -16.303 -1.185 -0.094 1.00 16.94 C ATOM 1296 O GLU A 530 -15.516 -0.247 0.054 1.00 19.74 O ATOM 1297 CB GLU A 530 -16.465 -3.063 1.537 1.00 23.79 C ATOM 1298 CG GLU A 530 -15.870 -2.336 2.736 1.00 35.18 C ATOM 1299 CD GLU A 530 -16.386 -2.876 4.063 1.00 50.18 C ATOM 1300 OE1 GLU A 530 -17.617 -3.042 4.204 1.00 51.76 O ATOM 1301 OE2 GLU A 530 -15.558 -3.142 4.961 1.00 56.18 O ATOM 1302 H GLU A 530 -13.886 -1.907 0.540 1.00 0.00 H ATOM 1303 N ILE A 531 -17.564 -1.033 -0.508 1.00 16.52 N ATOM 1304 CA ILE A 531 -18.133 0.286 -0.752 1.00 16.69 C ATOM 1305 C ILE A 531 -17.993 1.145 0.501 1.00 17.12 C ATOM 1306 O ILE A 531 -18.184 0.673 1.629 1.00 19.60 O ATOM 1307 CB ILE A 531 -19.604 0.133 -1.179 1.00 19.36 C ATOM 1308 CG1 ILE A 531 -19.720 -0.631 -2.507 1.00 19.10 C ATOM 1309 CG2 ILE A 531 -20.302 1.484 -1.257 1.00 19.51 C ATOM 1310 CD1 ILE A 531 -18.906 -0.049 -3.637 1.00 18.69 C ATOM 1311 H ILE A 531 -18.154 -1.876 -0.660 1.00 0.00 H ATOM 1312 N GLN A 532 -17.631 2.414 0.305 1.00 15.48 N ATOM 1313 CA GLN A 532 -17.445 3.366 1.394 1.00 14.61 C ATOM 1314 C GLN A 532 -18.711 4.195 1.576 1.00 14.75 C ATOM 1315 O GLN A 532 -19.375 4.556 0.599 1.00 15.56 O ATOM 1316 CB GLN A 532 -16.276 4.305 1.084 1.00 16.62 C ATOM 1317 CG GLN A 532 -14.948 3.580 0.940 1.00 20.17 C ATOM 1318 CD GLN A 532 -14.547 2.867 2.210 1.00 25.83 C ATOM 1319 OE1 GLN A 532 -14.501 1.637 2.260 1.00 25.42 O ATOM 1320 NE2 GLN A 532 -14.258 3.637 3.250 1.00 24.66 N ATOM 1321 HE22 GLN A 532 -14.311 4.672 3.161 1.00 0.00 H ATOM 1322 HE21 GLN A 532 -13.979 3.206 4.154 1.00 0.00 H ATOM 1323 H GLN A 532 -17.474 2.740 -0.670 1.00 0.00 H ATOM 1324 N ASN A 533 -19.021 4.522 2.829 1.00 15.39 N ATOM 1325 CA ASN A 533 -20.281 5.194 3.137 1.00 13.69 C ATOM 1326 C ASN A 533 -20.266 6.672 2.753 1.00 13.00 C ATOM 1327 O ASN A 533 -21.244 7.175 2.185 1.00 13.39 O ATOM 1328 CB ASN A 533 -20.608 5.037 4.621 1.00 14.88 C ATOM 1329 CG ASN A 533 -22.005 5.516 4.955 1.00 16.36 C ATOM 1330 OD1 ASN A 533 -22.943 5.274 4.196 1.00 17.44 O ATOM 1331 ND2 ASN A 533 -22.148 6.220 6.072 1.00 19.43 N ATOM 1332 HD22 ASN A 533 -21.325 6.399 6.683 1.00 0.00 H ATOM 1333 HD21 ASN A 533 -23.083 6.592 6.336 1.00 0.00 H ATOM 1334 H ASN A 533 -18.358 4.296 3.598 1.00 0.00 H ATOM 1335 N ILE A 534 -19.183 7.384 3.050 1.00 13.92 N ATOM 1336 CA ILE A 534 -19.095 8.818 2.803 1.00 12.50 C ATOM 1337 C ILE A 534 -18.306 9.040 1.520 1.00 13.00 C ATOM 1338 O ILE A 534 -17.247 8.434 1.320 1.00 13.21 O ATOM 1339 CB ILE A 534 -18.455 9.553 3.995 1.00 15.62 C ATOM 1340 CG1 ILE A 534 -19.263 9.286 5.272 1.00 19.22 C ATOM 1341 CG2 ILE A 534 -18.360 11.050 3.709 1.00 16.69 C ATOM 1342 CD1 ILE A 534 -18.677 9.917 6.515 1.00 23.94 C ATOM 1343 H ILE A 534 -18.367 6.899 3.475 1.00 0.00 H ATOM 1344 N LEU A 535 -18.831 9.898 0.644 1.00 10.75 N ATOM 1345 CA LEU A 535 -18.211 10.164 -0.649 1.00 9.67 C ATOM 1346 C LEU A 535 -16.755 10.563 -0.465 1.00 9.75 C ATOM 1347 O LEU A 535 -16.454 11.523 0.251 1.00 10.79 O ATOM 1348 CB LEU A 535 -18.980 11.297 -1.333 1.00 9.65 C ATOM 1349 CG LEU A 535 -18.481 11.738 -2.706 1.00 8.57 C ATOM 1350 CD1 LEU A 535 -18.568 10.565 -3.699 1.00 9.48 C ATOM 1351 CD2 LEU A 535 -19.273 12.937 -3.177 1.00 10.41 C ATOM 1352 H LEU A 535 -19.711 10.394 0.891 1.00 0.00 H ATOM 1353 N GLN A 536 -15.859 9.834 -1.130 1.00 8.70 N ATOM 1354 CA GLN A 536 -14.424 10.054 -0.998 1.00 8.82 C ATOM 1355 C GLN A 536 -13.887 10.898 -2.150 1.00 8.64 C ATOM 1356 O GLN A 536 -14.435 10.901 -3.255 1.00 9.58 O ATOM 1357 CB GLN A 536 -13.676 8.723 -0.978 1.00 10.81 C ATOM 1358 CG GLN A 536 -14.090 7.791 0.160 1.00 11.26 C ATOM 1359 CD GLN A 536 -13.575 8.243 1.502 1.00 13.48 C ATOM 1360 OE1 GLN A 536 -12.360 8.340 1.717 1.00 13.81 O ATOM 1361 NE2 GLN A 536 -14.488 8.508 2.427 1.00 14.43 N ATOM 1362 HE22 GLN A 536 -15.499 8.413 2.202 1.00 0.00 H ATOM 1363 HE21 GLN A 536 -14.193 8.811 3.377 1.00 0.00 H ATOM 1364 H GLN A 536 -16.195 9.082 -1.765 1.00 0.00 H ATOM 1365 N LYS A 537 -12.800 11.618 -1.873 1.00 9.33 N ATOM 1366 CA LYS A 537 -12.133 12.464 -2.858 1.00 9.39 C ATOM 1367 C LYS A 537 -10.629 12.248 -2.792 1.00 9.02 C ATOM 1368 O LYS A 537 -10.064 12.014 -1.722 1.00 9.29 O ATOM 1369 CB LYS A 537 -12.414 13.953 -2.604 1.00 9.73 C ATOM 1370 CG LYS A 537 -11.986 14.440 -1.219 1.00 9.48 C ATOM 1371 CD LYS A 537 -12.231 15.936 -1.006 1.00 10.65 C ATOM 1372 CE LYS A 537 -11.856 16.327 0.413 1.00 10.74 C ATOM 1373 NZ LYS A 537 -12.027 17.795 0.638 1.00 11.85 N ATOM 1374 HZ1 LYS A 537 -11.417 18.319 -0.021 1.00 0.00 H ATOM 1375 HZ2 LYS A 537 -13.020 18.056 0.475 1.00 0.00 H ATOM 1376 HZ3 LYS A 537 -11.762 18.028 1.616 1.00 0.00 H ATOM 1377 H LYS A 537 -12.409 11.575 -0.910 1.00 0.00 H ATOM 1378 N VAL A 538 -9.973 12.347 -3.943 1.00 8.10 N ATOM 1379 CA VAL A 538 -8.515 12.257 -3.993 1.00 8.69 C ATOM 1380 C VAL A 538 -8.012 13.110 -5.151 1.00 8.91 C ATOM 1381 O VAL A 538 -8.646 13.189 -6.202 1.00 9.38 O ATOM 1382 CB VAL A 538 -8.045 10.785 -4.082 1.00 8.99 C ATOM 1383 CG1 VAL A 538 -8.393 10.178 -5.444 1.00 10.64 C ATOM 1384 CG2 VAL A 538 -6.540 10.645 -3.778 1.00 11.78 C ATOM 1385 H VAL A 538 -10.506 12.491 -4.824 1.00 0.00 H ATOM 1386 N ASN A 539 -6.866 13.741 -4.939 1.00 9.75 N ATOM 1387 CA ASN A 539 -6.217 14.633 -5.896 1.00 10.27 C ATOM 1388 C ASN A 539 -5.151 13.794 -6.599 1.00 10.52 C ATOM 1389 O ASN A 539 -4.289 13.210 -5.932 1.00 11.88 O ATOM 1390 CB ASN A 539 -5.611 15.760 -5.049 1.00 10.01 C ATOM 1391 CG ASN A 539 -5.067 16.946 -5.835 1.00 14.06 C ATOM 1392 OD1 ASN A 539 -4.279 17.719 -5.280 1.00 16.96 O ATOM 1393 ND2 ASN A 539 -5.497 17.133 -7.068 1.00 13.74 N ATOM 1394 HD22 ASN A 539 -6.161 16.456 -7.496 1.00 0.00 H ATOM 1395 HD21 ASN A 539 -5.172 17.957 -7.613 1.00 0.00 H ATOM 1396 H ASN A 539 -6.394 13.590 -4.024 1.00 0.00 H ATOM 1397 N ILE A 540 -5.238 13.676 -7.925 1.00 10.00 N ATOM 1398 CA ILE A 540 -4.328 12.808 -8.684 1.00 12.41 C ATOM 1399 C ILE A 540 -3.813 13.525 -9.928 1.00 13.20 C ATOM 1400 O ILE A 540 -4.610 14.157 -10.636 1.00 13.13 O ATOM 1401 CB ILE A 540 -5.006 11.487 -9.089 1.00 13.87 C ATOM 1402 CG1 ILE A 540 -5.576 10.751 -7.875 1.00 15.92 C ATOM 1403 CG2 ILE A 540 -4.010 10.577 -9.843 1.00 15.92 C ATOM 1404 CD1 ILE A 540 -6.300 9.451 -8.251 1.00 16.86 C ATOM 1405 H ILE A 540 -5.969 14.212 -8.434 1.00 0.00 H ATOM 1406 N PRO A 541 -2.524 13.424 -10.261 1.00 13.38 N ATOM 1407 CA PRO A 541 -2.026 14.062 -11.487 1.00 13.74 C ATOM 1408 C PRO A 541 -2.344 13.250 -12.734 1.00 12.66 C ATOM 1409 O PRO A 541 -2.308 12.017 -12.735 1.00 12.82 O ATOM 1410 CB PRO A 541 -0.510 14.124 -11.260 1.00 16.56 C ATOM 1411 CG PRO A 541 -0.226 12.951 -10.377 1.00 17.86 C ATOM 1412 CD PRO A 541 -1.430 12.829 -9.468 1.00 15.18 C ATOM 1413 N LEU A 542 -2.627 13.958 -13.822 1.00 13.81 N ATOM 1414 CA LEU A 542 -2.706 13.291 -15.111 1.00 12.54 C ATOM 1415 C LEU A 542 -1.322 12.839 -15.550 1.00 12.52 C ATOM 1416 O LEU A 542 -0.302 13.415 -15.162 1.00 14.73 O ATOM 1417 CB LEU A 542 -3.291 14.230 -16.168 1.00 15.42 C ATOM 1418 CG LEU A 542 -4.654 14.855 -15.865 1.00 12.64 C ATOM 1419 CD1 LEU A 542 -5.138 15.647 -17.066 1.00 20.30 C ATOM 1420 CD2 LEU A 542 -5.687 13.810 -15.478 1.00 13.99 C ATOM 1421 H LEU A 542 -2.791 14.983 -13.752 1.00 0.00 H ATOM 1422 N VAL A 543 -1.288 11.790 -16.362 1.00 14.31 N ATOM 1423 CA VAL A 543 -0.059 11.383 -17.025 1.00 19.99 C ATOM 1424 C VAL A 543 -0.317 11.439 -18.522 1.00 17.37 C ATOM 1425 O VAL A 543 -1.460 11.397 -18.976 1.00 19.25 O ATOM 1426 CB VAL A 543 0.431 9.988 -16.583 1.00 25.70 C ATOM 1427 CG1 VAL A 543 0.698 9.964 -15.080 1.00 23.68 C ATOM 1428 CG2 VAL A 543 -0.579 8.930 -16.957 1.00 22.37 C ATOM 1429 H VAL A 543 -2.159 11.247 -16.528 1.00 0.00 H ATOM 1430 N THR A 544 0.754 11.570 -19.292 1.00 18.40 N ATOM 1431 CA THR A 544 0.567 11.641 -20.730 1.00 21.27 C ATOM 1432 C THR A 544 0.150 10.276 -21.263 1.00 19.29 C ATOM 1433 O THR A 544 0.383 9.236 -20.639 1.00 17.11 O ATOM 1434 CB THR A 544 1.862 12.045 -21.431 1.00 23.01 C ATOM 1435 OG1 THR A 544 2.826 11.003 -21.263 1.00 21.20 O ATOM 1436 CG2 THR A 544 2.418 13.356 -20.867 1.00 23.97 C ATOM 1437 HG1 THR A 544 3.669 11.259 -21.715 1.00 0.00 H ATOM 1438 H THR A 544 1.706 11.621 -18.876 1.00 0.00 H ATOM 1439 N ASN A 545 -0.471 10.284 -22.443 1.00 17.86 N ATOM 1440 CA ASN A 545 -0.834 9.030 -23.102 1.00 21.04 C ATOM 1441 C ASN A 545 0.392 8.159 -23.340 1.00 19.70 C ATOM 1442 O ASN A 545 0.341 6.935 -23.185 1.00 19.55 O ATOM 1443 CB ASN A 545 -1.526 9.330 -24.432 1.00 23.77 C ATOM 1444 CG ASN A 545 -1.631 8.105 -25.327 1.00 24.49 C ATOM 1445 OD1 ASN A 545 -0.711 7.790 -26.083 1.00 29.85 O ATOM 1446 ND2 ASN A 545 -2.761 7.413 -25.249 1.00 27.48 N ATOM 1447 HD22 ASN A 545 -3.512 7.715 -24.596 1.00 0.00 H ATOM 1448 HD21 ASN A 545 -2.895 6.568 -25.841 1.00 0.00 H ATOM 1449 H ASN A 545 -0.699 11.190 -22.899 1.00 0.00 H ATOM 1450 N GLU A 546 1.510 8.779 -23.730 1.00 19.22 N ATOM 1451 CA GLU A 546 2.731 8.015 -23.959 1.00 23.04 C ATOM 1452 C GLU A 546 3.187 7.319 -22.683 1.00 19.52 C ATOM 1453 O GLU A 546 3.573 6.144 -22.709 1.00 22.97 O ATOM 1454 CB GLU A 546 3.824 8.941 -24.494 1.00 29.13 C ATOM 1455 CG GLU A 546 5.162 8.267 -24.739 1.00 40.09 C ATOM 1456 CD GLU A 546 6.160 9.198 -25.405 1.00 51.51 C ATOM 1457 OE1 GLU A 546 5.743 10.276 -25.878 1.00 55.10 O ATOM 1458 OE2 GLU A 546 7.360 8.855 -25.454 1.00 56.82 O ATOM 1459 H GLU A 546 1.509 9.809 -23.871 1.00 0.00 H ATOM 1460 N GLU A 547 3.135 8.025 -21.549 1.00 20.37 N ATOM 1461 CA GLU A 547 3.508 7.411 -20.280 1.00 21.01 C ATOM 1462 C GLU A 547 2.521 6.322 -19.881 1.00 22.10 C ATOM 1463 O GLU A 547 2.922 5.261 -19.393 1.00 21.86 O ATOM 1464 CB GLU A 547 3.613 8.475 -19.186 1.00 25.74 C ATOM 1465 CG GLU A 547 3.857 7.910 -17.792 1.00 30.48 C ATOM 1466 CD GLU A 547 5.220 7.253 -17.656 1.00 44.56 C ATOM 1467 OE1 GLU A 547 6.133 7.600 -18.438 1.00 47.17 O ATOM 1468 OE2 GLU A 547 5.378 6.388 -16.769 1.00 48.36 O ATOM 1469 H GLU A 547 2.827 9.018 -21.572 1.00 0.00 H ATOM 1470 N CYS A 548 1.224 6.567 -20.064 1.00 17.37 N ATOM 1471 CA CYS A 548 0.241 5.548 -19.722 1.00 16.39 C ATOM 1472 C CYS A 548 0.446 4.296 -20.566 1.00 18.59 C ATOM 1473 O CYS A 548 0.367 3.170 -20.057 1.00 17.45 O ATOM 1474 CB CYS A 548 -1.170 6.100 -19.908 1.00 16.01 C ATOM 1475 SG CYS A 548 -2.441 5.068 -19.196 1.00 17.10 S ATOM 1476 H CYS A 548 0.915 7.482 -20.449 1.00 0.00 H ATOM 1477 N GLN A 549 0.725 4.474 -21.860 1.00 18.23 N ATOM 1478 CA GLN A 549 0.970 3.327 -22.727 1.00 19.01 C ATOM 1479 C GLN A 549 2.191 2.542 -22.265 1.00 19.65 C ATOM 1480 O GLN A 549 2.200 1.307 -22.316 1.00 22.74 O ATOM 1481 CB GLN A 549 1.142 3.803 -24.170 1.00 19.81 C ATOM 1482 CG GLN A 549 1.371 2.674 -25.170 1.00 20.53 C ATOM 1483 CD GLN A 549 0.202 1.704 -25.214 1.00 21.78 C ATOM 1484 OE1 GLN A 549 -0.745 1.890 -25.981 1.00 23.05 O ATOM 1485 NE2 GLN A 549 0.258 0.663 -24.384 1.00 22.08 N ATOM 1486 HE22 GLN A 549 1.076 0.544 -23.753 1.00 0.00 H ATOM 1487 HE21 GLN A 549 -0.517 -0.031 -24.367 1.00 0.00 H ATOM 1488 H GLN A 549 0.768 5.436 -22.252 1.00 0.00 H ATOM 1489 N LYS A 550 3.224 3.242 -21.790 1.00 20.71 N ATOM 1490 CA LYS A 550 4.397 2.559 -21.260 1.00 22.21 C ATOM 1491 C LYS A 550 4.048 1.707 -20.046 1.00 21.83 C ATOM 1492 O LYS A 550 4.668 0.661 -19.826 1.00 25.17 O ATOM 1493 CB LYS A 550 5.475 3.582 -20.904 1.00 27.07 C ATOM 1494 CG LYS A 550 6.681 2.994 -20.202 1.00 30.59 C ATOM 1495 CD LYS A 550 7.691 4.080 -19.868 1.00 37.52 C ATOM 1496 CE LYS A 550 8.895 3.510 -19.132 1.00 43.22 C ATOM 1497 NZ LYS A 550 9.883 4.571 -18.783 1.00 42.01 N ATOM 1498 HZ1 LYS A 550 10.219 5.030 -19.654 1.00 0.00 H ATOM 1499 HZ2 LYS A 550 9.429 5.278 -18.170 1.00 0.00 H ATOM 1500 HZ3 LYS A 550 10.688 4.142 -18.283 1.00 0.00 H ATOM 1501 H LYS A 550 3.191 4.281 -21.798 1.00 0.00 H ATOM 1502 N ARG A 551 3.058 2.124 -19.254 1.00 21.11 N ATOM 1503 CA ARG A 551 2.676 1.360 -18.073 1.00 20.82 C ATOM 1504 C ARG A 551 1.777 0.172 -18.394 1.00 20.52 C ATOM 1505 O ARG A 551 1.675 -0.745 -17.575 1.00 22.67 O ATOM 1506 CB ARG A 551 1.995 2.267 -17.046 1.00 21.76 C ATOM 1507 CG ARG A 551 2.855 3.423 -16.575 1.00 25.82 C ATOM 1508 CD ARG A 551 4.225 2.929 -16.142 1.00 31.76 C ATOM 1509 NE ARG A 551 5.099 4.024 -15.741 1.00 42.47 N ATOM 1510 CZ ARG A 551 6.401 3.892 -15.513 1.00 44.89 C ATOM 1511 NH1 ARG A 551 6.986 2.708 -15.649 1.00 41.26 N ATOM 1512 NH2 ARG A 551 7.119 4.946 -15.149 1.00 49.78 N ATOM 1513 HE ARG A 551 4.677 4.968 -15.626 1.00 0.00 H ATOM 1514 HH12 ARG A 551 8.006 2.608 -15.470 1.00 0.00 H ATOM 1515 HH11 ARG A 551 6.425 1.880 -15.935 1.00 0.00 H ATOM 1516 HH22 ARG A 551 8.138 4.844 -14.970 1.00 0.00 H ATOM 1517 HH21 ARG A 551 6.663 5.874 -15.042 1.00 0.00 H ATOM 1518 H ARG A 551 2.553 3.004 -19.482 1.00 0.00 H ATOM 1519 N TYR A 552 1.126 0.169 -19.557 1.00 19.27 N ATOM 1520 CA TYR A 552 0.180 -0.876 -19.934 1.00 20.60 C ATOM 1521 C TYR A 552 0.477 -1.353 -21.355 1.00 23.38 C ATOM 1522 O TYR A 552 -0.365 -1.284 -22.248 1.00 22.69 O ATOM 1523 CB TYR A 552 -1.253 -0.360 -19.860 1.00 18.64 C ATOM 1524 CG TYR A 552 -1.755 -0.102 -18.462 1.00 15.32 C ATOM 1525 CD1 TYR A 552 -1.844 -1.134 -17.537 1.00 16.88 C ATOM 1526 CD2 TYR A 552 -2.149 1.175 -18.066 1.00 14.56 C ATOM 1527 CE1 TYR A 552 -2.309 -0.907 -16.263 1.00 15.28 C ATOM 1528 CE2 TYR A 552 -2.620 1.414 -16.788 1.00 14.77 C ATOM 1529 CZ TYR A 552 -2.695 0.365 -15.888 1.00 15.21 C ATOM 1530 OH TYR A 552 -3.175 0.587 -14.617 1.00 13.83 O ATOM 1531 HH TYR A 552 -4.104 0.926 -14.671 1.00 0.00 H ATOM 1532 H TYR A 552 1.300 0.946 -20.226 1.00 0.00 H ATOM 1533 N GLN A 553 1.694 -1.853 -21.567 1.00 25.06 N ATOM 1534 CA GLN A 553 2.064 -2.306 -22.902 1.00 25.37 C ATOM 1535 C GLN A 553 1.252 -3.508 -23.365 1.00 25.01 C ATOM 1536 O GLN A 553 1.318 -3.858 -24.548 1.00 29.66 O ATOM 1537 CB GLN A 553 3.570 -2.576 -22.971 1.00 27.91 C ATOM 1538 CG GLN A 553 4.406 -1.301 -22.867 1.00 31.51 C ATOM 1539 CD GLN A 553 5.842 -1.556 -22.451 1.00 39.05 C ATOM 1540 OE1 GLN A 553 6.559 -2.339 -23.076 1.00 36.05 O ATOM 1541 NE2 GLN A 553 6.275 -0.884 -21.391 1.00 35.21 N ATOM 1542 HE22 GLN A 553 5.636 -0.232 -20.892 1.00 0.00 H ATOM 1543 HE21 GLN A 553 7.253 -1.009 -21.060 1.00 0.00 H ATOM 1544 H GLN A 553 2.376 -1.920 -20.784 1.00 0.00 H ATOM 1545 N ASP A 554 0.480 -4.130 -22.472 1.00 25.84 N ATOM 1546 CA ASP A 554 -0.403 -5.232 -22.827 1.00 24.40 C ATOM 1547 C ASP A 554 -1.742 -4.770 -23.388 1.00 26.92 C ATOM 1548 O ASP A 554 -2.554 -5.612 -23.784 1.00 27.05 O ATOM 1549 CB ASP A 554 -0.620 -6.149 -21.617 1.00 29.00 C ATOM 1550 CG ASP A 554 -1.083 -5.396 -20.382 1.00 28.54 C ATOM 1551 OD1 ASP A 554 -0.803 -4.182 -20.269 1.00 27.52 O ATOM 1552 OD2 ASP A 554 -1.721 -6.028 -19.517 1.00 25.50 O ATOM 1553 H ASP A 554 0.510 -3.815 -21.481 1.00 0.00 H ATOM 1554 N TYR A 555 -1.998 -3.465 -23.420 1.00 24.51 N ATOM 1555 CA TYR A 555 -3.222 -2.904 -23.974 1.00 22.92 C ATOM 1556 C TYR A 555 -2.859 -1.755 -24.903 1.00 23.67 C ATOM 1557 O TYR A 555 -1.720 -1.278 -24.929 1.00 27.90 O ATOM 1558 CB TYR A 555 -4.179 -2.408 -22.874 1.00 24.75 C ATOM 1559 CG TYR A 555 -4.773 -3.516 -22.036 1.00 21.40 C ATOM 1560 CD1 TYR A 555 -5.771 -4.335 -22.549 1.00 21.94 C ATOM 1561 CD2 TYR A 555 -4.326 -3.757 -20.742 1.00 20.43 C ATOM 1562 CE1 TYR A 555 -6.311 -5.363 -21.800 1.00 23.80 C ATOM 1563 CE2 TYR A 555 -4.867 -4.779 -19.980 1.00 20.06 C ATOM 1564 CZ TYR A 555 -5.863 -5.578 -20.517 1.00 21.36 C ATOM 1565 OH TYR A 555 -6.409 -6.605 -19.784 1.00 26.07 O ATOM 1566 HH TYR A 555 -6.821 -6.239 -18.961 1.00 0.00 H ATOM 1567 H TYR A 555 -1.288 -2.813 -23.030 1.00 0.00 H ATOM 1568 N LYS A 556 -3.835 -1.317 -25.682 1.00 23.65 N ATOM 1569 CA LYS A 556 -3.689 -0.132 -26.515 1.00 26.42 C ATOM 1570 C LYS A 556 -4.364 1.024 -25.783 1.00 21.75 C ATOM 1571 O LYS A 556 -5.589 1.032 -25.615 1.00 21.07 O ATOM 1572 CB LYS A 556 -4.303 -0.366 -27.893 1.00 26.72 C ATOM 1573 CG LYS A 556 -4.273 0.841 -28.819 1.00 27.61 C ATOM 1574 CD LYS A 556 -2.866 1.263 -29.197 1.00 37.06 C ATOM 1575 CE LYS A 556 -2.906 2.513 -30.066 1.00 41.68 C ATOM 1576 NZ LYS A 556 -1.551 3.001 -30.435 1.00 44.20 N ATOM 1577 HZ1 LYS A 556 -1.019 3.231 -29.571 1.00 0.00 H ATOM 1578 HZ2 LYS A 556 -1.050 2.260 -30.965 1.00 0.00 H ATOM 1579 HZ3 LYS A 556 -1.639 3.852 -31.026 1.00 0.00 H ATOM 1580 H LYS A 556 -4.736 -1.836 -25.700 1.00 0.00 H ATOM 1581 N ILE A 557 -3.561 1.972 -25.310 1.00 19.06 N ATOM 1582 CA ILE A 557 -4.078 3.194 -24.701 1.00 17.47 C ATOM 1583 C ILE A 557 -4.294 4.193 -25.830 1.00 20.21 C ATOM 1584 O ILE A 557 -3.332 4.677 -26.434 1.00 23.97 O ATOM 1585 CB ILE A 557 -3.119 3.748 -23.641 1.00 19.38 C ATOM 1586 CG1 ILE A 557 -2.812 2.684 -22.583 1.00 18.84 C ATOM 1587 CG2 ILE A 557 -3.713 4.991 -22.988 1.00 18.48 C ATOM 1588 CD1 ILE A 557 -4.039 2.130 -21.894 1.00 20.15 C ATOM 1589 H ILE A 557 -2.532 1.839 -25.376 1.00 0.00 H ATOM 1590 N THR A 558 -5.553 4.488 -26.132 1.00 17.69 N ATOM 1591 CA THR A 558 -5.892 5.302 -27.289 1.00 18.32 C ATOM 1592 C THR A 558 -5.998 6.775 -26.900 1.00 16.80 C ATOM 1593 O THR A 558 -6.028 7.134 -25.723 1.00 16.90 O ATOM 1594 CB THR A 558 -7.223 4.843 -27.884 1.00 18.06 C ATOM 1595 OG1 THR A 558 -8.289 5.276 -27.031 1.00 17.27 O ATOM 1596 CG2 THR A 558 -7.263 3.314 -28.017 1.00 19.51 C ATOM 1597 HG1 THR A 558 -9.154 4.982 -27.411 1.00 0.00 H ATOM 1598 H THR A 558 -6.317 4.128 -25.525 1.00 0.00 H ATOM 1599 N GLN A 559 -6.073 7.632 -27.922 1.00 20.40 N ATOM 1600 CA GLN A 559 -6.308 9.054 -27.701 1.00 19.73 C ATOM 1601 C GLN A 559 -7.668 9.334 -27.076 1.00 18.41 C ATOM 1602 O GLN A 559 -7.902 10.463 -26.633 1.00 18.77 O ATOM 1603 CB GLN A 559 -6.221 9.821 -29.021 1.00 23.84 C ATOM 1604 CG GLN A 559 -4.817 10.092 -29.531 1.00 44.19 C ATOM 1605 CD GLN A 559 -4.831 10.858 -30.845 1.00 58.75 C ATOM 1606 OE1 GLN A 559 -5.883 11.316 -31.301 1.00 63.73 O ATOM 1607 NE2 GLN A 559 -3.663 10.997 -31.462 1.00 62.29 N ATOM 1608 HE22 GLN A 559 -2.801 10.595 -31.041 1.00 0.00 H ATOM 1609 HE21 GLN A 559 -3.610 11.508 -32.366 1.00 0.00 H ATOM 1610 H GLN A 559 -5.962 7.278 -28.894 1.00 0.00 H ATOM 1611 N ARG A 560 -8.568 8.356 -27.044 1.00 15.70 N ATOM 1612 CA ARG A 560 -9.870 8.527 -26.409 1.00 14.04 C ATOM 1613 C ARG A 560 -9.863 8.133 -24.938 1.00 12.43 C ATOM 1614 O ARG A 560 -10.927 8.085 -24.310 1.00 11.99 O ATOM 1615 CB ARG A 560 -10.960 7.774 -27.183 1.00 15.90 C ATOM 1616 CG ARG A 560 -11.006 8.155 -28.651 1.00 18.21 C ATOM 1617 CD ARG A 560 -12.202 7.560 -29.373 1.00 25.96 C ATOM 1618 NE ARG A 560 -13.324 8.495 -29.422 1.00 35.08 N ATOM 1619 CZ ARG A 560 -14.433 8.290 -30.128 1.00 39.16 C ATOM 1620 NH1 ARG A 560 -15.407 9.193 -30.121 1.00 33.86 N ATOM 1621 NH2 ARG A 560 -14.567 7.182 -30.845 1.00 42.32 N ATOM 1622 HE ARG A 560 -13.251 9.374 -28.871 1.00 0.00 H ATOM 1623 HH12 ARG A 560 -16.272 9.029 -30.674 1.00 0.00 H ATOM 1624 HH11 ARG A 560 -15.304 10.064 -29.562 1.00 0.00 H ATOM 1625 HH22 ARG A 560 -15.434 7.021 -31.397 1.00 0.00 H ATOM 1626 HH21 ARG A 560 -13.805 6.474 -30.855 1.00 0.00 H ATOM 1627 H ARG A 560 -8.337 7.443 -27.484 1.00 0.00 H ATOM 1628 N MET A 561 -8.683 7.882 -24.377 1.00 14.46 N ATOM 1629 CA MET A 561 -8.508 7.618 -22.958 1.00 13.57 C ATOM 1630 C MET A 561 -7.584 8.664 -22.355 1.00 11.51 C ATOM 1631 O MET A 561 -6.767 9.276 -23.049 1.00 13.58 O ATOM 1632 CB MET A 561 -7.874 6.245 -22.747 1.00 15.47 C ATOM 1633 CG MET A 561 -8.700 5.114 -23.321 1.00 13.76 C ATOM 1634 SD MET A 561 -7.780 3.577 -23.451 1.00 15.66 S ATOM 1635 CE MET A 561 -9.084 2.476 -23.983 1.00 19.99 C ATOM 1636 H MET A 561 -7.840 7.874 -24.986 1.00 0.00 H ATOM 1637 N VAL A 562 -7.734 8.875 -21.055 1.00 11.72 N ATOM 1638 CA VAL A 562 -6.833 9.736 -20.302 1.00 11.02 C ATOM 1639 C VAL A 562 -6.504 9.001 -19.011 1.00 11.97 C ATOM 1640 O VAL A 562 -7.371 8.347 -18.424 1.00 12.79 O ATOM 1641 CB VAL A 562 -7.451 11.135 -20.057 1.00 11.64 C ATOM 1642 CG1 VAL A 562 -8.763 11.034 -19.302 1.00 13.79 C ATOM 1643 CG2 VAL A 562 -6.465 12.047 -19.320 1.00 18.17 C ATOM 1644 H VAL A 562 -8.520 8.411 -20.557 1.00 0.00 H ATOM 1645 N CYS A 563 -5.252 9.087 -18.576 1.00 12.89 N ATOM 1646 CA CYS A 563 -4.805 8.346 -17.407 1.00 12.93 C ATOM 1647 C CYS A 563 -4.349 9.291 -16.304 1.00 13.56 C ATOM 1648 O CYS A 563 -3.915 10.420 -16.561 1.00 12.22 O ATOM 1649 CB CYS A 563 -3.658 7.413 -17.777 1.00 12.69 C ATOM 1650 SG CYS A 563 -4.034 6.335 -19.187 1.00 15.75 S ATOM 1651 H CYS A 563 -4.578 9.696 -19.081 1.00 0.00 H ATOM 1652 N ALA A 564 -4.432 8.810 -15.063 1.00 10.07 N ATOM 1653 CA ALA A 564 -4.025 9.611 -13.918 1.00 10.07 C ATOM 1654 C ALA A 564 -3.512 8.683 -12.831 1.00 11.51 C ATOM 1655 O ALA A 564 -4.123 7.646 -12.550 1.00 11.78 O ATOM 1656 CB ALA A 564 -5.194 10.459 -13.390 1.00 12.26 C ATOM 1657 H ALA A 564 -4.793 7.847 -14.911 1.00 0.00 H ATOM 1658 N GLY A 565 -2.391 9.052 -12.227 1.00 12.27 N ATOM 1659 CA GLY A 565 -1.829 8.229 -11.171 1.00 13.82 C ATOM 1660 C GLY A 565 -0.499 8.784 -10.731 1.00 13.52 C ATOM 1661 O GLY A 565 0.089 9.651 -11.388 1.00 15.90 O ATOM 1662 H GLY A 565 -1.914 9.932 -12.510 1.00 0.00 H ATOM 1663 N TYR A 566 -0.033 8.264 -9.599 1.00 13.25 N ATOM 1664 CA TYR A 566 1.282 8.575 -9.056 1.00 14.34 C ATOM 1665 C TYR A 566 2.265 7.450 -9.364 1.00 13.89 C ATOM 1666 O TYR A 566 1.908 6.270 -9.360 1.00 15.08 O ATOM 1667 CB TYR A 566 1.204 8.744 -7.536 1.00 14.84 C ATOM 1668 CG TYR A 566 0.452 9.969 -7.074 1.00 12.58 C ATOM 1669 CD1 TYR A 566 -0.916 9.911 -6.850 1.00 13.00 C ATOM 1670 CD2 TYR A 566 1.107 11.174 -6.859 1.00 14.33 C ATOM 1671 CE1 TYR A 566 -1.618 11.023 -6.426 1.00 13.18 C ATOM 1672 CE2 TYR A 566 0.413 12.290 -6.427 1.00 15.39 C ATOM 1673 CZ TYR A 566 -0.941 12.203 -6.208 1.00 13.52 C ATOM 1674 OH TYR A 566 -1.628 13.314 -5.782 1.00 16.82 O ATOM 1675 HH TYR A 566 -2.585 13.087 -5.672 1.00 0.00 H ATOM 1676 H TYR A 566 -0.639 7.601 -9.075 1.00 0.00 H ATOM 1677 N LYS A 567 3.525 7.822 -9.588 1.00 16.06 N ATOM 1678 CA LYS A 567 4.536 6.821 -9.914 1.00 17.32 C ATOM 1679 C LYS A 567 4.552 5.680 -8.901 1.00 18.10 C ATOM 1680 O LYS A 567 4.619 4.502 -9.276 1.00 19.09 O ATOM 1681 CB LYS A 567 5.913 7.472 -10.021 1.00 19.02 C ATOM 1682 CG LYS A 567 7.043 6.482 -10.311 1.00 24.14 C ATOM 1683 CD LYS A 567 8.391 7.178 -10.314 1.00 32.67 C ATOM 1684 CE LYS A 567 9.518 6.226 -10.688 1.00 40.34 C ATOM 1685 NZ LYS A 567 9.483 5.872 -12.134 1.00 43.51 N ATOM 1686 HZ1 LYS A 567 8.577 5.411 -12.355 1.00 0.00 H ATOM 1687 HZ2 LYS A 567 9.581 6.736 -12.704 1.00 0.00 H ATOM 1688 HZ3 LYS A 567 10.266 5.222 -12.350 1.00 0.00 H ATOM 1689 H LYS A 567 3.788 8.827 -9.530 1.00 0.00 H ATOM 1690 N GLU A 568 4.528 6.005 -7.609 1.00 16.26 N ATOM 1691 CA GLU A 568 4.574 4.981 -6.573 1.00 16.79 C ATOM 1692 C GLU A 568 3.191 4.591 -6.047 1.00 15.89 C ATOM 1693 O GLU A 568 3.097 3.871 -5.045 1.00 19.97 O ATOM 1694 CB GLU A 568 5.547 5.376 -5.454 1.00 17.82 C ATOM 1695 CG GLU A 568 6.994 5.483 -5.928 1.00 19.48 C ATOM 1696 CD GLU A 568 7.535 4.161 -6.449 1.00 23.18 C ATOM 1697 OE1 GLU A 568 7.038 3.104 -6.007 1.00 23.85 O ATOM 1698 OE2 GLU A 568 8.458 4.174 -7.294 1.00 28.20 O ATOM 1699 H GLU A 568 4.476 7.007 -7.335 1.00 0.00 H ATOM 1700 N GLY A 569 2.130 5.015 -6.714 1.00 14.76 N ATOM 1701 CA GLY A 569 0.805 4.519 -6.408 1.00 15.24 C ATOM 1702 C GLY A 569 0.230 5.099 -5.128 1.00 16.44 C ATOM 1703 O GLY A 569 0.657 6.143 -4.620 1.00 14.91 O ATOM 1704 H GLY A 569 2.250 5.717 -7.472 1.00 0.00 H ATOM 1705 N GLY A 570 -0.775 4.398 -4.604 1.00 13.45 N ATOM 1706 CA GLY A 570 -1.361 4.718 -3.316 1.00 14.35 C ATOM 1707 C GLY A 570 -2.626 5.545 -3.376 1.00 13.29 C ATOM 1708 O GLY A 570 -3.326 5.645 -2.360 1.00 14.56 O ATOM 1709 H GLY A 570 -1.154 3.591 -5.139 1.00 0.00 H ATOM 1710 N LYS A 571 -2.938 6.134 -4.529 1.00 11.60 N ATOM 1711 CA LYS A 571 -4.107 6.990 -4.708 1.00 10.68 C ATOM 1712 C LYS A 571 -4.706 6.651 -6.067 1.00 10.20 C ATOM 1713 O LYS A 571 -4.003 6.716 -7.080 1.00 12.50 O ATOM 1714 CB LYS A 571 -3.673 8.457 -4.652 1.00 10.69 C ATOM 1715 CG LYS A 571 -3.331 8.935 -3.245 1.00 13.07 C ATOM 1716 CD LYS A 571 -2.511 10.232 -3.233 1.00 14.80 C ATOM 1717 CE LYS A 571 -2.192 10.662 -1.805 1.00 15.69 C ATOM 1718 NZ LYS A 571 -1.101 11.671 -1.769 1.00 17.65 N ATOM 1719 HZ1 LYS A 571 -0.241 11.265 -2.190 1.00 0.00 H ATOM 1720 HZ2 LYS A 571 -1.390 12.512 -2.309 1.00 0.00 H ATOM 1721 HZ3 LYS A 571 -0.911 11.940 -0.782 1.00 0.00 H ATOM 1722 H LYS A 571 -2.315 5.976 -5.346 1.00 0.00 H ATOM 1723 N ASP A 572 -5.990 6.289 -6.104 1.00 9.82 N ATOM 1724 CA ASP A 572 -6.595 5.778 -7.336 1.00 10.06 C ATOM 1725 C ASP A 572 -8.090 5.611 -7.104 1.00 9.83 C ATOM 1726 O ASP A 572 -8.560 5.590 -5.964 1.00 11.17 O ATOM 1727 CB ASP A 572 -5.951 4.420 -7.704 1.00 11.82 C ATOM 1728 CG ASP A 572 -6.292 3.910 -9.117 1.00 11.99 C ATOM 1729 OD1 ASP A 572 -6.807 4.664 -9.969 1.00 12.22 O ATOM 1730 OD2 ASP A 572 -5.988 2.718 -9.376 1.00 13.20 O ATOM 1731 H ASP A 572 -6.570 6.371 -5.245 1.00 0.00 H ATOM 1732 N ALA A 573 -8.831 5.497 -8.202 1.00 9.91 N ATOM 1733 CA ALA A 573 -10.184 4.971 -8.146 1.00 9.55 C ATOM 1734 C ALA A 573 -10.136 3.445 -8.093 1.00 10.91 C ATOM 1735 O ALA A 573 -9.092 2.825 -8.321 1.00 11.10 O ATOM 1736 CB ALA A 573 -10.988 5.464 -9.351 1.00 11.93 C ATOM 1737 H ALA A 573 -8.435 5.790 -9.118 1.00 0.00 H ATOM 1738 N CYS A 574 -11.268 2.831 -7.756 1.00 11.89 N ATOM 1739 CA CYS A 574 -11.324 1.379 -7.609 1.00 10.83 C ATOM 1740 C CYS A 574 -12.742 0.901 -7.938 1.00 10.89 C ATOM 1741 O CYS A 574 -13.573 1.663 -8.441 1.00 11.58 O ATOM 1742 CB CYS A 574 -10.816 0.975 -6.217 1.00 13.00 C ATOM 1743 SG CYS A 574 -10.305 -0.776 -6.015 1.00 15.78 S ATOM 1744 H CYS A 574 -12.127 3.395 -7.595 1.00 0.00 H ATOM 1745 N LYS A 575 -13.023 -0.376 -7.665 1.00 11.87 N ATOM 1746 CA LYS A 575 -14.356 -0.907 -7.932 1.00 12.47 C ATOM 1747 C LYS A 575 -15.399 -0.104 -7.167 1.00 13.14 C ATOM 1748 O LYS A 575 -15.205 0.236 -5.998 1.00 13.42 O ATOM 1749 CB LYS A 575 -14.430 -2.377 -7.513 1.00 14.34 C ATOM 1750 CG LYS A 575 -13.513 -3.291 -8.287 1.00 17.51 C ATOM 1751 CD LYS A 575 -13.825 -4.736 -7.954 1.00 18.90 C ATOM 1752 CE LYS A 575 -12.978 -5.684 -8.769 1.00 23.39 C ATOM 1753 NZ LYS A 575 -13.529 -7.074 -8.712 1.00 27.23 N ATOM 1754 HZ1 LYS A 575 -13.542 -7.400 -7.725 1.00 0.00 H ATOM 1755 HZ2 LYS A 575 -14.497 -7.078 -9.092 1.00 0.00 H ATOM 1756 HZ3 LYS A 575 -12.930 -7.707 -9.280 1.00 0.00 H ATOM 1757 H LYS A 575 -12.290 -0.993 -7.261 1.00 0.00 H ATOM 1758 N GLY A 576 -16.527 0.176 -7.824 1.00 11.59 N ATOM 1759 CA GLY A 576 -17.562 1.014 -7.260 1.00 12.31 C ATOM 1760 C GLY A 576 -17.418 2.493 -7.556 1.00 10.58 C ATOM 1761 O GLY A 576 -18.385 3.240 -7.386 1.00 11.51 O ATOM 1762 H GLY A 576 -16.666 -0.222 -8.775 1.00 0.00 H ATOM 1763 N ASP A 577 -16.252 2.939 -8.016 1.00 9.26 N ATOM 1764 CA ASP A 577 -16.085 4.306 -8.494 1.00 8.58 C ATOM 1765 C ASP A 577 -16.391 4.445 -9.979 1.00 8.93 C ATOM 1766 O ASP A 577 -16.550 5.574 -10.470 1.00 9.45 O ATOM 1767 CB ASP A 577 -14.644 4.764 -8.240 1.00 9.99 C ATOM 1768 CG ASP A 577 -14.322 4.882 -6.773 1.00 9.81 C ATOM 1769 OD1 ASP A 577 -15.172 5.401 -6.022 1.00 10.30 O ATOM 1770 OD2 ASP A 577 -13.216 4.463 -6.373 1.00 10.75 O ATOM 1771 H ASP A 577 -15.436 2.294 -8.035 1.00 0.00 H ATOM 1772 N SER A 578 -16.484 3.325 -10.691 1.00 8.95 N ATOM 1773 CA SER A 578 -16.713 3.318 -12.131 1.00 9.21 C ATOM 1774 C SER A 578 -17.850 4.248 -12.512 1.00 8.30 C ATOM 1775 O SER A 578 -18.908 4.260 -11.875 1.00 9.00 O ATOM 1776 CB SER A 578 -17.105 1.910 -12.565 1.00 11.82 C ATOM 1777 OG SER A 578 -16.022 1.010 -12.385 1.00 12.88 O ATOM 1778 HG SER A 578 -16.297 0.103 -12.672 1.00 0.00 H ATOM 1779 H SER A 578 -16.389 2.414 -10.199 1.00 0.00 H ATOM 1780 N GLY A 579 -17.645 4.999 -13.586 1.00 8.77 N ATOM 1781 CA GLY A 579 -18.669 5.869 -14.108 1.00 8.63 C ATOM 1782 C GLY A 579 -18.673 7.256 -13.517 1.00 9.36 C ATOM 1783 O GLY A 579 -19.304 8.156 -14.086 1.00 9.13 O ATOM 1784 H GLY A 579 -16.722 4.959 -14.064 1.00 0.00 H ATOM 1785 N GLY A 580 -17.987 7.453 -12.393 1.00 9.06 N ATOM 1786 CA GLY A 580 -17.907 8.747 -11.772 1.00 8.23 C ATOM 1787 C GLY A 580 -16.940 9.662 -12.484 1.00 8.94 C ATOM 1788 O GLY A 580 -16.287 9.308 -13.482 1.00 9.08 O ATOM 1789 H GLY A 580 -17.496 6.649 -11.952 1.00 0.00 H ATOM 1790 N PRO A 581 -16.828 10.872 -11.955 1.00 8.25 N ATOM 1791 CA PRO A 581 -16.047 11.920 -12.612 1.00 9.25 C ATOM 1792 C PRO A 581 -14.568 11.917 -12.264 1.00 8.15 C ATOM 1793 O PRO A 581 -14.149 11.605 -11.146 1.00 8.82 O ATOM 1794 CB PRO A 581 -16.686 13.196 -12.045 1.00 8.86 C ATOM 1795 CG PRO A 581 -17.093 12.786 -10.658 1.00 9.07 C ATOM 1796 CD PRO A 581 -17.590 11.372 -10.799 1.00 8.43 C ATOM 1797 N LEU A 582 -13.785 12.315 -13.264 1.00 8.32 N ATOM 1798 CA LEU A 582 -12.448 12.876 -13.076 1.00 8.07 C ATOM 1799 C LEU A 582 -12.570 14.323 -13.532 1.00 8.31 C ATOM 1800 O LEU A 582 -12.834 14.582 -14.712 1.00 8.95 O ATOM 1801 CB LEU A 582 -11.423 12.132 -13.933 1.00 8.53 C ATOM 1802 CG LEU A 582 -10.051 12.781 -14.128 1.00 10.87 C ATOM 1803 CD1 LEU A 582 -9.254 12.820 -12.838 1.00 16.08 C ATOM 1804 CD2 LEU A 582 -9.281 12.047 -15.223 1.00 11.98 C ATOM 1805 H LEU A 582 -14.145 12.222 -14.235 1.00 0.00 H ATOM 1806 N VAL A 583 -12.443 15.261 -12.595 1.00 8.22 N ATOM 1807 CA VAL A 583 -12.620 16.679 -12.890 1.00 8.17 C ATOM 1808 C VAL A 583 -11.299 17.405 -12.706 1.00 10.36 C ATOM 1809 O VAL A 583 -10.489 17.065 -11.832 1.00 10.50 O ATOM 1810 CB VAL A 583 -13.718 17.349 -12.035 1.00 8.60 C ATOM 1811 CG1 VAL A 583 -15.092 16.836 -12.423 1.00 10.54 C ATOM 1812 CG2 VAL A 583 -13.440 17.152 -10.534 1.00 13.35 C ATOM 1813 H VAL A 583 -12.210 14.974 -11.623 1.00 0.00 H ATOM 1814 N CYS A 584 -11.091 18.438 -13.513 1.00 9.69 N ATOM 1815 CA CYS A 584 -9.905 19.270 -13.380 1.00 10.24 C ATOM 1816 C CYS A 584 -10.312 20.730 -13.468 1.00 12.77 C ATOM 1817 O CYS A 584 -11.338 21.082 -14.063 1.00 13.46 O ATOM 1818 CB CYS A 584 -8.873 18.995 -14.477 1.00 10.98 C ATOM 1819 SG CYS A 584 -8.356 17.273 -14.653 1.00 13.22 S ATOM 1820 H CYS A 584 -11.788 18.656 -14.253 1.00 0.00 H ATOM 1821 N LYS A 585 -9.485 21.576 -12.877 1.00 14.65 N ATOM 1822 CA LYS A 585 -9.705 23.006 -12.929 1.00 18.09 C ATOM 1823 C LYS A 585 -9.177 23.562 -14.236 1.00 22.05 C ATOM 1824 O LYS A 585 -8.142 23.124 -14.757 1.00 23.03 O ATOM 1825 CB LYS A 585 -8.971 23.695 -11.786 1.00 24.84 C ATOM 1826 CG LYS A 585 -9.725 23.674 -10.490 1.00 26.01 C ATOM 1827 CD LYS A 585 -10.968 24.535 -10.594 1.00 20.36 C ATOM 1828 CE LYS A 585 -11.555 24.783 -9.232 1.00 23.66 C ATOM 1829 NZ LYS A 585 -12.785 25.606 -9.334 1.00 32.85 N ATOM 1830 HZ1 LYS A 585 -12.554 26.520 -9.773 1.00 0.00 H ATOM 1831 HZ2 LYS A 585 -13.487 25.108 -9.918 1.00 0.00 H ATOM 1832 HZ3 LYS A 585 -13.174 25.765 -8.383 1.00 0.00 H ATOM 1833 H LYS A 585 -8.659 21.206 -12.364 1.00 0.00 H ATOM 1834 N HIS A 586 -9.889 24.551 -14.757 1.00 23.06 N ATOM 1835 CA HIS A 586 -9.353 25.373 -15.828 1.00 22.96 C ATOM 1836 C HIS A 586 -10.110 26.688 -15.805 1.00 28.18 C ATOM 1837 O HIS A 586 -11.341 26.691 -15.715 1.00 28.23 O ATOM 1838 CB HIS A 586 -9.492 24.694 -17.189 1.00 28.12 C ATOM 1839 CG HIS A 586 -8.877 25.477 -18.307 1.00 42.64 C ATOM 1840 ND1 HIS A 586 -7.617 26.029 -18.220 1.00 49.17 N ATOM 1841 CD2 HIS A 586 -9.351 25.811 -19.531 1.00 45.70 C ATOM 1842 CE1 HIS A 586 -7.339 26.665 -19.345 1.00 49.44 C ATOM 1843 NE2 HIS A 586 -8.375 26.548 -20.156 1.00 48.29 N ATOM 1844 H HIS A 586 -10.845 24.741 -14.394 1.00 0.00 H ATOM 1845 N ASN A 587 -9.371 27.795 -15.857 1.00 30.53 N ATOM 1846 CA ASN A 587 -9.961 29.127 -15.803 1.00 33.81 C ATOM 1847 C ASN A 587 -10.824 29.315 -14.558 1.00 31.26 C ATOM 1848 O ASN A 587 -11.829 30.027 -14.592 1.00 33.76 O ATOM 1849 CB ASN A 587 -10.756 29.445 -17.074 1.00 35.39 C ATOM 1850 CG ASN A 587 -9.963 29.178 -18.341 1.00 40.73 C ATOM 1851 OD1 ASN A 587 -10.473 28.589 -19.294 1.00 50.80 O ATOM 1852 ND2 ASN A 587 -8.710 29.607 -18.356 1.00 38.31 N ATOM 1853 HD22 ASN A 587 -8.319 30.100 -17.528 1.00 0.00 H ATOM 1854 HD21 ASN A 587 -8.117 29.450 -19.196 1.00 0.00 H ATOM 1855 H ASN A 587 -8.338 27.706 -15.939 1.00 0.00 H ATOM 1856 N GLY A 588 -10.443 28.677 -13.450 1.00 30.69 N ATOM 1857 CA GLY A 588 -11.218 28.769 -12.227 1.00 28.67 C ATOM 1858 C GLY A 588 -12.495 27.964 -12.220 1.00 28.09 C ATOM 1859 O GLY A 588 -13.300 28.105 -11.294 1.00 32.23 O ATOM 1860 H GLY A 588 -9.575 28.104 -13.463 1.00 0.00 H ATOM 1861 N MET A 589 -12.703 27.119 -13.222 1.00 22.70 N ATOM 1862 CA MET A 589 -13.932 26.363 -13.372 1.00 20.97 C ATOM 1863 C MET A 589 -13.604 24.882 -13.472 1.00 16.30 C ATOM 1864 O MET A 589 -12.630 24.492 -14.122 1.00 15.78 O ATOM 1865 CB MET A 589 -14.659 26.813 -14.640 1.00 21.57 C ATOM 1866 CG MET A 589 -15.990 26.147 -14.869 1.00 28.76 C ATOM 1867 SD MET A 589 -16.728 26.753 -16.396 1.00 35.22 S ATOM 1868 CE MET A 589 -16.755 28.518 -16.068 1.00 39.32 C ATOM 1869 H MET A 589 -11.952 26.993 -13.931 1.00 0.00 H ATOM 1870 N TRP A 590 -14.417 24.063 -12.824 1.00 13.82 N ATOM 1871 CA TRP A 590 -14.285 22.625 -12.977 1.00 11.22 C ATOM 1872 C TRP A 590 -14.782 22.198 -14.354 1.00 12.40 C ATOM 1873 O TRP A 590 -15.780 22.720 -14.861 1.00 14.48 O ATOM 1874 CB TRP A 590 -15.106 21.923 -11.910 1.00 13.80 C ATOM 1875 CG TRP A 590 -14.604 22.115 -10.519 1.00 13.84 C ATOM 1876 CD1 TRP A 590 -15.198 22.836 -9.527 1.00 16.73 C ATOM 1877 CD2 TRP A 590 -13.424 21.541 -9.950 1.00 11.67 C ATOM 1878 NE1 TRP A 590 -14.457 22.748 -8.375 1.00 17.67 N ATOM 1879 CE2 TRP A 590 -13.361 21.961 -8.610 1.00 12.62 C ATOM 1880 CE3 TRP A 590 -12.417 20.707 -10.445 1.00 13.55 C ATOM 1881 CZ2 TRP A 590 -12.328 21.584 -7.756 1.00 14.92 C ATOM 1882 CZ3 TRP A 590 -11.384 20.335 -9.595 1.00 14.31 C ATOM 1883 CH2 TRP A 590 -11.350 20.777 -8.266 1.00 13.22 C ATOM 1884 HE1 TRP A 590 -14.690 23.205 -7.470 1.00 0.00 H ATOM 1885 H TRP A 590 -15.154 24.451 -12.202 1.00 0.00 H ATOM 1886 N ARG A 591 -14.081 21.242 -14.960 1.00 11.56 N ATOM 1887 CA ARG A 591 -14.497 20.621 -16.215 1.00 11.05 C ATOM 1888 C ARG A 591 -14.400 19.112 -16.058 1.00 10.05 C ATOM 1889 O ARG A 591 -13.485 18.609 -15.395 1.00 10.01 O ATOM 1890 CB ARG A 591 -13.569 21.027 -17.389 1.00 14.79 C ATOM 1891 CG ARG A 591 -13.540 22.510 -17.728 1.00 19.62 C ATOM 1892 CD ARG A 591 -14.850 22.979 -18.353 1.00 25.12 C ATOM 1893 NE ARG A 591 -14.698 24.308 -18.936 1.00 31.17 N ATOM 1894 CZ ARG A 591 -14.959 24.619 -20.203 1.00 31.31 C ATOM 1895 NH1 ARG A 591 -15.420 23.704 -21.042 1.00 23.78 N ATOM 1896 NH2 ARG A 591 -14.774 25.862 -20.626 1.00 32.65 N ATOM 1897 HE ARG A 591 -14.360 25.070 -18.314 1.00 0.00 H ATOM 1898 HH12 ARG A 591 -15.620 23.959 -22.030 1.00 0.00 H ATOM 1899 HH11 ARG A 591 -15.582 22.731 -20.713 1.00 0.00 H ATOM 1900 HH22 ARG A 591 -14.977 26.110 -21.615 1.00 0.00 H ATOM 1901 HH21 ARG A 591 -14.426 26.589 -19.968 1.00 0.00 H ATOM 1902 H ARG A 591 -13.195 20.922 -14.519 1.00 0.00 H ATOM 1903 N LEU A 592 -15.328 18.386 -16.681 1.00 9.84 N ATOM 1904 CA LEU A 592 -15.300 16.928 -16.665 1.00 8.68 C ATOM 1905 C LEU A 592 -14.292 16.441 -17.700 1.00 11.05 C ATOM 1906 O LEU A 592 -14.546 16.503 -18.907 1.00 14.21 O ATOM 1907 CB LEU A 592 -16.684 16.366 -16.969 1.00 10.27 C ATOM 1908 CG LEU A 592 -16.800 14.845 -16.837 1.00 9.65 C ATOM 1909 CD1 LEU A 592 -16.580 14.384 -15.396 1.00 11.08 C ATOM 1910 CD2 LEU A 592 -18.164 14.379 -17.354 1.00 10.55 C ATOM 1911 H LEU A 592 -16.092 18.872 -17.192 1.00 0.00 H ATOM 1912 N VAL A 593 -13.159 15.931 -17.233 1.00 8.64 N ATOM 1913 CA VAL A 593 -12.105 15.493 -18.134 1.00 9.90 C ATOM 1914 C VAL A 593 -12.203 13.999 -18.429 1.00 9.51 C ATOM 1915 O VAL A 593 -11.941 13.570 -19.557 1.00 9.71 O ATOM 1916 CB VAL A 593 -10.748 15.897 -17.530 1.00 8.74 C ATOM 1917 CG1 VAL A 593 -9.605 15.258 -18.308 1.00 13.84 C ATOM 1918 CG2 VAL A 593 -10.608 17.415 -17.527 1.00 11.60 C ATOM 1919 H VAL A 593 -13.023 15.843 -16.206 1.00 0.00 H ATOM 1920 N GLY A 594 -12.607 13.192 -17.444 1.00 9.47 N ATOM 1921 CA GLY A 594 -12.610 11.752 -17.602 1.00 9.49 C ATOM 1922 C GLY A 594 -13.808 11.113 -16.926 1.00 9.06 C ATOM 1923 O GLY A 594 -14.430 11.690 -16.023 1.00 8.85 O ATOM 1924 H GLY A 594 -12.926 13.606 -16.545 1.00 0.00 H ATOM 1925 N ILE A 595 -14.123 9.901 -17.389 1.00 9.20 N ATOM 1926 CA ILE A 595 -15.082 9.007 -16.743 1.00 9.38 C ATOM 1927 C ILE A 595 -14.299 7.816 -16.200 1.00 8.94 C ATOM 1928 O ILE A 595 -13.567 7.155 -16.945 1.00 9.17 O ATOM 1929 CB ILE A 595 -16.163 8.527 -17.728 1.00 8.70 C ATOM 1930 CG1 ILE A 595 -16.938 9.712 -18.319 1.00 11.43 C ATOM 1931 CG2 ILE A 595 -17.122 7.532 -17.040 1.00 9.95 C ATOM 1932 CD1 ILE A 595 -17.774 9.309 -19.524 1.00 13.63 C ATOM 1933 H ILE A 595 -13.659 9.574 -18.260 1.00 0.00 H ATOM 1934 N THR A 596 -14.441 7.547 -14.908 1.00 7.91 N ATOM 1935 CA THR A 596 -13.684 6.474 -14.276 1.00 8.93 C ATOM 1936 C THR A 596 -13.999 5.130 -14.914 1.00 9.30 C ATOM 1937 O THR A 596 -15.163 4.720 -14.998 1.00 9.60 O ATOM 1938 CB THR A 596 -14.046 6.465 -12.800 1.00 8.26 C ATOM 1939 OG1 THR A 596 -13.636 7.713 -12.246 1.00 9.21 O ATOM 1940 CG2 THR A 596 -13.343 5.343 -12.051 1.00 9.23 C ATOM 1941 HG1 THR A 596 -13.860 7.734 -11.282 1.00 0.00 H ATOM 1942 H THR A 596 -15.103 8.111 -14.338 1.00 0.00 H ATOM 1943 N SER A 597 -12.951 4.417 -15.334 1.00 8.85 N ATOM 1944 CA SER A 597 -13.128 3.177 -16.084 1.00 9.41 C ATOM 1945 C SER A 597 -12.408 1.961 -15.502 1.00 8.99 C ATOM 1946 O SER A 597 -13.063 0.966 -15.178 1.00 9.99 O ATOM 1947 CB SER A 597 -12.740 3.375 -17.551 1.00 10.67 C ATOM 1948 OG SER A 597 -12.837 2.148 -18.266 1.00 11.74 O ATOM 1949 HG SER A 597 -13.768 1.815 -18.223 1.00 0.00 H ATOM 1950 H SER A 597 -11.989 4.752 -15.123 1.00 0.00 H ATOM 1951 N TRP A 598 -11.078 1.997 -15.390 1.00 9.72 N ATOM 1952 CA TRP A 598 -10.330 0.759 -15.198 1.00 10.02 C ATOM 1953 C TRP A 598 -8.942 1.037 -14.633 1.00 11.28 C ATOM 1954 O TRP A 598 -8.390 2.132 -14.772 1.00 12.34 O ATOM 1955 CB TRP A 598 -10.195 0.007 -16.533 1.00 10.95 C ATOM 1956 CG TRP A 598 -9.405 -1.264 -16.493 1.00 11.76 C ATOM 1957 CD1 TRP A 598 -9.874 -2.513 -16.212 1.00 13.31 C ATOM 1958 CD2 TRP A 598 -8.009 -1.417 -16.788 1.00 11.29 C ATOM 1959 NE1 TRP A 598 -8.858 -3.432 -16.293 1.00 12.87 N ATOM 1960 CE2 TRP A 598 -7.699 -2.788 -16.645 1.00 12.15 C ATOM 1961 CE3 TRP A 598 -6.986 -0.523 -17.144 1.00 14.33 C ATOM 1962 CZ2 TRP A 598 -6.414 -3.296 -16.852 1.00 14.43 C ATOM 1963 CZ3 TRP A 598 -5.707 -1.030 -17.358 1.00 13.70 C ATOM 1964 CH2 TRP A 598 -5.434 -2.405 -17.210 1.00 13.69 C ATOM 1965 HE1 TRP A 598 -8.952 -4.453 -16.116 1.00 0.00 H ATOM 1966 H TRP A 598 -10.576 2.906 -15.440 1.00 0.00 H ATOM 1967 N GLY A 599 -8.389 0.004 -14.003 1.00 10.96 N ATOM 1968 CA GLY A 599 -6.970 -0.098 -13.700 1.00 12.20 C ATOM 1969 C GLY A 599 -6.621 -1.548 -13.458 1.00 12.68 C ATOM 1970 O GLY A 599 -7.504 -2.391 -13.281 1.00 13.48 O ATOM 1971 H GLY A 599 -9.009 -0.778 -13.709 1.00 0.00 H ATOM 1972 N GLU A 600 -5.321 -1.842 -13.464 1.00 13.36 N ATOM 1973 CA GLU A 600 -4.837 -3.187 -13.142 1.00 13.36 C ATOM 1974 C GLU A 600 -4.585 -3.232 -11.639 1.00 16.44 C ATOM 1975 O GLU A 600 -3.614 -2.646 -11.150 1.00 16.70 O ATOM 1976 CB GLU A 600 -3.567 -3.541 -13.916 1.00 14.32 C ATOM 1977 CG GLU A 600 -3.140 -5.010 -13.778 1.00 16.06 C ATOM 1978 CD GLU A 600 -4.062 -5.956 -14.523 1.00 24.01 C ATOM 1979 OE1 GLU A 600 -4.214 -5.796 -15.755 1.00 21.54 O ATOM 1980 OE2 GLU A 600 -4.643 -6.850 -13.873 1.00 26.92 O ATOM 1981 H GLU A 600 -4.634 -1.099 -13.703 1.00 0.00 H ATOM 1982 N GLY A 601 -5.454 -3.928 -10.910 1.00 15.41 N ATOM 1983 CA GLY A 601 -5.478 -3.727 -9.471 1.00 14.87 C ATOM 1984 C GLY A 601 -5.996 -2.325 -9.185 1.00 14.50 C ATOM 1985 O GLY A 601 -6.615 -1.686 -10.028 1.00 14.62 O ATOM 1986 H GLY A 601 -6.104 -4.603 -11.362 1.00 0.00 H ATOM 1987 N CYS A 602 -5.716 -1.846 -7.973 1.00 14.21 N ATOM 1988 CA CYS A 602 -6.052 -0.481 -7.583 1.00 13.17 C ATOM 1989 C CYS A 602 -4.867 0.147 -6.866 1.00 12.68 C ATOM 1990 O CYS A 602 -4.314 -0.445 -5.932 1.00 15.51 O ATOM 1991 CB CYS A 602 -7.286 -0.431 -6.667 1.00 14.18 C ATOM 1992 SG CYS A 602 -8.809 -1.095 -7.402 1.00 16.64 S ATOM 1993 H CYS A 602 -5.243 -2.465 -7.284 1.00 0.00 H ATOM 1994 N ALA A 603 -4.488 1.347 -7.303 1.00 11.77 N ATOM 1995 CA ALA A 603 -3.471 2.155 -6.627 1.00 12.94 C ATOM 1996 C ALA A 603 -2.087 1.506 -6.618 1.00 13.31 C ATOM 1997 O ALA A 603 -1.244 1.848 -5.776 1.00 14.95 O ATOM 1998 CB ALA A 603 -3.900 2.544 -5.205 1.00 15.05 C ATOM 1999 H ALA A 603 -4.934 1.727 -8.162 1.00 0.00 H ATOM 2000 N ARG A 604 -1.809 0.575 -7.530 1.00 13.87 N ATOM 2001 CA ARG A 604 -0.484 -0.034 -7.574 1.00 14.70 C ATOM 2002 C ARG A 604 0.533 0.942 -8.156 1.00 14.82 C ATOM 2003 O ARG A 604 0.200 1.812 -8.960 1.00 14.86 O ATOM 2004 CB ARG A 604 -0.508 -1.313 -8.420 1.00 17.17 C ATOM 2005 CG ARG A 604 -1.401 -2.395 -7.868 1.00 16.84 C ATOM 2006 CD ARG A 604 -1.357 -3.649 -8.731 1.00 18.54 C ATOM 2007 NE ARG A 604 -2.291 -4.653 -8.240 1.00 17.83 N ATOM 2008 CZ ARG A 604 -2.578 -5.773 -8.891 1.00 19.84 C ATOM 2009 NH1 ARG A 604 -2.003 -6.023 -10.061 1.00 20.21 N ATOM 2010 NH2 ARG A 604 -3.442 -6.636 -8.379 1.00 21.23 N ATOM 2011 HE ARG A 604 -2.760 -4.482 -7.327 1.00 0.00 H ATOM 2012 HH12 ARG A 604 -2.226 -6.900 -10.573 1.00 0.00 H ATOM 2013 HH11 ARG A 604 -1.329 -5.342 -10.465 1.00 0.00 H ATOM 2014 HH22 ARG A 604 -3.666 -7.513 -8.891 1.00 0.00 H ATOM 2015 HH21 ARG A 604 -3.897 -6.436 -7.465 1.00 0.00 H ATOM 2016 H ARG A 604 -2.538 0.282 -8.212 1.00 0.00 H ATOM 2017 N ARG A 605 1.795 0.786 -7.760 1.00 15.90 N ATOM 2018 CA ARG A 605 2.826 1.637 -8.335 1.00 16.21 C ATOM 2019 C ARG A 605 2.883 1.443 -9.848 1.00 16.33 C ATOM 2020 O ARG A 605 2.690 0.334 -10.359 1.00 17.84 O ATOM 2021 CB ARG A 605 4.189 1.358 -7.687 1.00 17.57 C ATOM 2022 CG ARG A 605 4.790 0.001 -8.012 1.00 18.67 C ATOM 2023 CD ARG A 605 6.172 -0.149 -7.371 1.00 20.32 C ATOM 2024 NE ARG A 605 7.069 0.937 -7.759 1.00 22.92 N ATOM 2025 CZ ARG A 605 7.816 0.933 -8.859 1.00 25.76 C ATOM 2026 NH1 ARG A 605 7.780 -0.108 -9.684 1.00 29.03 N ATOM 2027 NH2 ARG A 605 8.599 1.965 -9.138 1.00 28.46 N ATOM 2028 HE ARG A 605 7.127 1.767 -7.135 1.00 0.00 H ATOM 2029 HH12 ARG A 605 8.365 -0.110 -10.544 1.00 0.00 H ATOM 2030 HH11 ARG A 605 7.167 -0.920 -9.470 1.00 0.00 H ATOM 2031 HH22 ARG A 605 9.182 1.958 -9.999 1.00 0.00 H ATOM 2032 HH21 ARG A 605 8.631 2.782 -8.496 1.00 0.00 H ATOM 2033 H ARG A 605 2.040 0.066 -7.050 1.00 0.00 H ATOM 2034 N GLU A 606 3.111 2.542 -10.569 1.00 16.38 N ATOM 2035 CA GLU A 606 3.307 2.507 -12.020 1.00 18.43 C ATOM 2036 C GLU A 606 2.128 1.872 -12.750 1.00 15.28 C ATOM 2037 O GLU A 606 2.298 1.271 -13.812 1.00 18.20 O ATOM 2038 CB GLU A 606 4.619 1.818 -12.400 1.00 19.30 C ATOM 2039 CG GLU A 606 5.850 2.407 -11.727 1.00 24.83 C ATOM 2040 CD GLU A 606 6.291 3.712 -12.353 1.00 40.75 C ATOM 2041 OE1 GLU A 606 7.516 3.959 -12.407 1.00 48.29 O ATOM 2042 OE2 GLU A 606 5.418 4.488 -12.795 1.00 46.37 O ATOM 2043 H GLU A 606 3.151 3.460 -10.082 1.00 0.00 H ATOM 2044 N GLN A 607 0.923 2.016 -12.199 1.00 16.07 N ATOM 2045 CA GLN A 607 -0.300 1.497 -12.818 1.00 14.83 C ATOM 2046 C GLN A 607 -1.387 2.554 -12.702 1.00 13.75 C ATOM 2047 O GLN A 607 -2.254 2.499 -11.819 1.00 13.83 O ATOM 2048 CB GLN A 607 -0.736 0.181 -12.168 1.00 14.65 C ATOM 2049 CG GLN A 607 0.264 -0.966 -12.312 1.00 15.22 C ATOM 2050 CD GLN A 607 0.223 -1.619 -13.678 1.00 17.25 C ATOM 2051 OE1 GLN A 607 -0.371 -2.688 -13.848 1.00 18.83 O ATOM 2052 NE2 GLN A 607 0.867 -0.995 -14.655 1.00 18.61 N ATOM 2053 HE22 GLN A 607 1.354 -0.096 -14.466 1.00 0.00 H ATOM 2054 HE21 GLN A 607 0.885 -1.405 -15.611 1.00 0.00 H ATOM 2055 H GLN A 607 0.847 2.518 -11.291 1.00 0.00 H ATOM 2056 N PRO A 608 -1.359 3.560 -13.567 1.00 13.81 N ATOM 2057 CA PRO A 608 -2.318 4.656 -13.438 1.00 13.51 C ATOM 2058 C PRO A 608 -3.732 4.187 -13.730 1.00 13.21 C ATOM 2059 O PRO A 608 -3.967 3.168 -14.390 1.00 12.75 O ATOM 2060 CB PRO A 608 -1.851 5.679 -14.480 1.00 17.00 C ATOM 2061 CG PRO A 608 -1.030 4.892 -15.456 1.00 19.67 C ATOM 2062 CD PRO A 608 -0.415 3.754 -14.682 1.00 16.73 C ATOM 2063 N GLY A 609 -4.685 4.958 -13.217 1.00 11.62 N ATOM 2064 CA GLY A 609 -6.070 4.741 -13.584 1.00 11.19 C ATOM 2065 C GLY A 609 -6.309 5.173 -15.019 1.00 10.74 C ATOM 2066 O GLY A 609 -5.744 6.158 -15.499 1.00 11.48 O ATOM 2067 H GLY A 609 -4.437 5.718 -12.552 1.00 0.00 H ATOM 2068 N VAL A 610 -7.142 4.404 -15.718 1.00 10.38 N ATOM 2069 CA VAL A 610 -7.538 4.694 -17.089 1.00 10.67 C ATOM 2070 C VAL A 610 -8.969 5.214 -17.067 1.00 10.30 C ATOM 2071 O VAL A 610 -9.851 4.604 -16.449 1.00 11.42 O ATOM 2072 CB VAL A 610 -7.414 3.446 -17.976 1.00 10.92 C ATOM 2073 CG1 VAL A 610 -7.885 3.760 -19.396 1.00 14.63 C ATOM 2074 CG2 VAL A 610 -5.965 2.921 -17.950 1.00 12.74 C ATOM 2075 H VAL A 610 -7.529 3.553 -15.262 1.00 0.00 H ATOM 2076 N TYR A 611 -9.194 6.345 -17.734 1.00 10.24 N ATOM 2077 CA TYR A 611 -10.478 7.033 -17.763 1.00 8.85 C ATOM 2078 C TYR A 611 -10.871 7.276 -19.214 1.00 10.03 C ATOM 2079 O TYR A 611 -10.017 7.479 -20.077 1.00 11.37 O ATOM 2080 CB TYR A 611 -10.363 8.399 -17.056 1.00 9.69 C ATOM 2081 CG TYR A 611 -9.957 8.308 -15.598 1.00 8.29 C ATOM 2082 CD1 TYR A 611 -8.638 8.000 -15.239 1.00 9.72 C ATOM 2083 CD2 TYR A 611 -10.894 8.496 -14.578 1.00 8.50 C ATOM 2084 CE1 TYR A 611 -8.266 7.890 -13.900 1.00 9.29 C ATOM 2085 CE2 TYR A 611 -10.530 8.400 -13.240 1.00 8.81 C ATOM 2086 CZ TYR A 611 -9.216 8.103 -12.913 1.00 9.00 C ATOM 2087 OH TYR A 611 -8.870 8.000 -11.584 1.00 11.60 O ATOM 2088 HH TYR A 611 -7.906 7.785 -11.511 1.00 0.00 H ATOM 2089 H TYR A 611 -8.405 6.763 -18.267 1.00 0.00 H ATOM 2090 N THR A 612 -12.171 7.268 -19.487 1.00 9.43 N ATOM 2091 CA THR A 612 -12.630 7.675 -20.806 1.00 10.54 C ATOM 2092 C THR A 612 -12.466 9.182 -20.945 1.00 10.04 C ATOM 2093 O THR A 612 -12.919 9.941 -20.081 1.00 10.17 O ATOM 2094 CB THR A 612 -14.091 7.278 -20.989 1.00 9.85 C ATOM 2095 OG1 THR A 612 -14.212 5.865 -20.769 1.00 11.75 O ATOM 2096 CG2 THR A 612 -14.571 7.601 -22.395 1.00 11.69 C ATOM 2097 HG1 THR A 612 -13.646 5.381 -21.421 1.00 0.00 H ATOM 2098 H THR A 612 -12.856 6.973 -18.762 1.00 0.00 H ATOM 2099 N LYS A 613 -11.820 9.619 -22.026 1.00 10.58 N ATOM 2100 CA LYS A 613 -11.512 11.038 -22.207 1.00 10.48 C ATOM 2101 C LYS A 613 -12.725 11.743 -22.807 1.00 10.94 C ATOM 2102 O LYS A 613 -13.014 11.599 -23.997 1.00 12.89 O ATOM 2103 CB LYS A 613 -10.269 11.213 -23.074 1.00 12.12 C ATOM 2104 CG LYS A 613 -9.816 12.664 -23.199 1.00 12.65 C ATOM 2105 CD LYS A 613 -8.511 12.780 -23.971 1.00 16.05 C ATOM 2106 CE LYS A 613 -8.000 14.216 -23.997 1.00 21.87 C ATOM 2107 NZ LYS A 613 -6.635 14.272 -24.590 1.00 27.57 N ATOM 2108 HZ1 LYS A 613 -5.987 13.692 -24.020 1.00 0.00 H ATOM 2109 HZ2 LYS A 613 -6.666 13.906 -25.563 1.00 0.00 H ATOM 2110 HZ3 LYS A 613 -6.303 15.257 -24.600 1.00 0.00 H ATOM 2111 H LYS A 613 -11.529 8.937 -22.756 1.00 0.00 H ATOM 2112 N VAL A 614 -13.421 12.526 -21.976 1.00 10.25 N ATOM 2113 CA VAL A 614 -14.721 13.063 -22.374 1.00 10.15 C ATOM 2114 C VAL A 614 -14.607 13.959 -23.602 1.00 11.56 C ATOM 2115 O VAL A 614 -15.482 13.943 -24.473 1.00 12.44 O ATOM 2116 CB VAL A 614 -15.395 13.758 -21.178 1.00 10.34 C ATOM 2117 CG1 VAL A 614 -16.693 14.453 -21.597 1.00 13.45 C ATOM 2118 CG2 VAL A 614 -15.673 12.747 -20.086 1.00 11.94 C ATOM 2119 H VAL A 614 -13.034 12.755 -21.038 1.00 0.00 H ATOM 2120 N ALA A 615 -13.535 14.753 -23.700 1.00 11.10 N ATOM 2121 CA ALA A 615 -13.391 15.657 -24.842 1.00 12.60 C ATOM 2122 C ALA A 615 -13.449 14.913 -26.169 1.00 13.84 C ATOM 2123 O ALA A 615 -13.904 15.472 -27.174 1.00 16.59 O ATOM 2124 CB ALA A 615 -12.090 16.452 -24.741 1.00 14.62 C ATOM 2125 H ALA A 615 -12.802 14.728 -22.963 1.00 0.00 H ATOM 2126 N GLU A 616 -13.002 13.657 -26.193 1.00 12.68 N ATOM 2127 CA GLU A 616 -13.003 12.868 -27.418 1.00 13.16 C ATOM 2128 C GLU A 616 -14.346 12.200 -27.691 1.00 13.06 C ATOM 2129 O GLU A 616 -14.467 11.470 -28.685 1.00 18.46 O ATOM 2130 CB GLU A 616 -11.877 11.829 -27.365 1.00 17.08 C ATOM 2131 CG GLU A 616 -10.474 12.435 -27.360 1.00 19.52 C ATOM 2132 CD GLU A 616 -10.061 13.000 -28.707 1.00 30.87 C ATOM 2133 OE1 GLU A 616 -10.724 12.700 -29.723 1.00 28.99 O ATOM 2134 OE2 GLU A 616 -9.057 13.745 -28.754 1.00 36.65 O ATOM 2135 H GLU A 616 -12.644 13.230 -25.315 1.00 0.00 H ATOM 2136 N TYR A 617 -15.351 12.443 -26.852 1.00 14.34 N ATOM 2137 CA TYR A 617 -16.709 11.955 -27.075 1.00 14.40 C ATOM 2138 C TYR A 617 -17.720 13.089 -27.159 1.00 14.29 C ATOM 2139 O TYR A 617 -18.928 12.833 -27.113 1.00 15.03 O ATOM 2140 CB TYR A 617 -17.108 10.913 -26.012 1.00 12.44 C ATOM 2141 CG TYR A 617 -16.318 9.640 -26.170 1.00 14.73 C ATOM 2142 CD1 TYR A 617 -16.766 8.617 -27.002 1.00 14.71 C ATOM 2143 CD2 TYR A 617 -15.094 9.479 -25.537 1.00 13.51 C ATOM 2144 CE1 TYR A 617 -16.022 7.462 -27.182 1.00 13.36 C ATOM 2145 CE2 TYR A 617 -14.338 8.333 -25.718 1.00 14.32 C ATOM 2146 CZ TYR A 617 -14.809 7.324 -26.526 1.00 13.92 C ATOM 2147 OH TYR A 617 -14.049 6.181 -26.715 1.00 15.36 O ATOM 2148 HH TYR A 617 -14.531 5.562 -27.319 1.00 0.00 H ATOM 2149 H TYR A 617 -15.160 13.006 -25.999 1.00 0.00 H ATOM 2150 N MET A 618 -17.267 14.334 -27.330 1.00 15.47 N ATOM 2151 CA MET A 618 -18.208 15.448 -27.351 1.00 15.15 C ATOM 2152 C MET A 618 -19.138 15.399 -28.557 1.00 17.20 C ATOM 2153 O MET A 618 -20.328 15.704 -28.430 1.00 17.35 O ATOM 2154 CB MET A 618 -17.476 16.784 -27.236 1.00 15.37 C ATOM 2155 CG MET A 618 -17.055 17.094 -25.794 1.00 18.06 C ATOM 2156 SD MET A 618 -18.435 17.197 -24.629 1.00 17.34 S ATOM 2157 CE MET A 618 -19.206 18.727 -25.158 1.00 17.50 C ATOM 2158 H MET A 618 -16.248 14.508 -27.448 1.00 0.00 H ATOM 2159 N ASP A 619 -18.632 15.026 -29.736 1.00 16.48 N ATOM 2160 CA ASP A 619 -19.524 14.910 -30.886 1.00 19.98 C ATOM 2161 C ASP A 619 -20.619 13.891 -30.608 1.00 18.47 C ATOM 2162 O ASP A 619 -21.795 14.121 -30.921 1.00 20.09 O ATOM 2163 CB ASP A 619 -18.733 14.531 -32.142 1.00 21.70 C ATOM 2164 CG ASP A 619 -17.879 15.677 -32.661 1.00 31.91 C ATOM 2165 OD1 ASP A 619 -18.170 16.841 -32.313 1.00 31.05 O ATOM 2166 OD2 ASP A 619 -16.923 15.417 -33.423 1.00 41.87 O ATOM 2167 H ASP A 619 -17.617 14.821 -29.833 1.00 0.00 H ATOM 2168 N TRP A 620 -20.248 12.769 -29.994 1.00 16.34 N ATOM 2169 CA TRP A 620 -21.219 11.739 -29.640 1.00 16.61 C ATOM 2170 C TRP A 620 -22.205 12.244 -28.588 1.00 17.85 C ATOM 2171 O TRP A 620 -23.421 12.056 -28.724 1.00 17.48 O ATOM 2172 CB TRP A 620 -20.465 10.496 -29.163 1.00 17.00 C ATOM 2173 CG TRP A 620 -21.319 9.342 -28.739 1.00 17.01 C ATOM 2174 CD1 TRP A 620 -21.860 8.376 -29.545 1.00 18.66 C ATOM 2175 CD2 TRP A 620 -21.695 9.009 -27.400 1.00 14.41 C ATOM 2176 NE1 TRP A 620 -22.567 7.471 -28.784 1.00 18.76 N ATOM 2177 CE2 TRP A 620 -22.480 7.837 -27.465 1.00 15.51 C ATOM 2178 CE3 TRP A 620 -21.454 9.596 -26.149 1.00 13.76 C ATOM 2179 CZ2 TRP A 620 -23.022 7.239 -26.325 1.00 17.12 C ATOM 2180 CZ3 TRP A 620 -21.993 8.998 -25.020 1.00 16.23 C ATOM 2181 CH2 TRP A 620 -22.769 7.835 -25.119 1.00 15.54 C ATOM 2182 HE1 TRP A 620 -23.082 6.645 -29.150 1.00 0.00 H ATOM 2183 H TRP A 620 -19.245 12.624 -29.762 1.00 0.00 H ATOM 2184 N ILE A 621 -21.704 12.908 -27.540 1.00 13.91 N ATOM 2185 CA ILE A 621 -22.592 13.431 -26.498 1.00 13.29 C ATOM 2186 C ILE A 621 -23.590 14.419 -27.087 1.00 17.36 C ATOM 2187 O ILE A 621 -24.792 14.354 -26.806 1.00 16.37 O ATOM 2188 CB ILE A 621 -21.782 14.058 -25.350 1.00 12.91 C ATOM 2189 CG1 ILE A 621 -21.007 12.974 -24.604 1.00 13.30 C ATOM 2190 CG2 ILE A 621 -22.703 14.838 -24.400 1.00 15.58 C ATOM 2191 CD1 ILE A 621 -19.960 13.520 -23.639 1.00 15.24 C ATOM 2192 H ILE A 621 -20.677 13.054 -27.464 1.00 0.00 H ATOM 2193 N LEU A 622 -23.104 15.364 -27.894 1.00 15.10 N ATOM 2194 CA LEU A 622 -23.994 16.361 -28.480 1.00 16.98 C ATOM 2195 C LEU A 622 -25.012 15.714 -29.406 1.00 20.45 C ATOM 2196 O LEU A 622 -26.186 16.105 -29.421 1.00 23.42 O ATOM 2197 CB LEU A 622 -23.179 17.421 -29.221 1.00 20.09 C ATOM 2198 CG LEU A 622 -22.306 18.290 -28.315 1.00 24.95 C ATOM 2199 CD1 LEU A 622 -21.362 19.159 -29.133 1.00 28.67 C ATOM 2200 CD2 LEU A 622 -23.183 19.152 -27.419 1.00 28.33 C ATOM 2201 H LEU A 622 -22.086 15.390 -28.106 1.00 0.00 H ATOM 2202 N GLU A 623 -24.584 14.719 -30.186 1.00 19.39 N ATOM 2203 CA GLU A 623 -25.511 14.033 -31.081 1.00 21.28 C ATOM 2204 C GLU A 623 -26.607 13.323 -30.295 1.00 22.06 C ATOM 2205 O GLU A 623 -27.793 13.420 -30.635 1.00 26.31 O ATOM 2206 CB GLU A 623 -24.750 13.038 -31.955 1.00 24.38 C ATOM 2207 CG GLU A 623 -25.648 12.201 -32.860 1.00 36.51 C ATOM 2208 CD GLU A 623 -25.052 10.842 -33.182 1.00 48.43 C ATOM 2209 OE1 GLU A 623 -23.822 10.678 -33.037 1.00 51.69 O ATOM 2210 OE2 GLU A 623 -25.818 9.936 -33.572 1.00 55.21 O ATOM 2211 H GLU A 623 -23.585 14.431 -30.156 1.00 0.00 H ATOM 2212 N LYS A 624 -26.231 12.603 -29.235 1.00 19.64 N ATOM 2213 CA LYS A 624 -27.206 11.784 -28.520 1.00 19.35 C ATOM 2214 C LYS A 624 -28.136 12.618 -27.647 1.00 22.43 C ATOM 2215 O LYS A 624 -29.263 12.193 -27.374 1.00 25.01 O ATOM 2216 CB LYS A 624 -26.498 10.721 -27.680 1.00 18.65 C ATOM 2217 CG LYS A 624 -25.722 9.708 -28.490 1.00 18.88 C ATOM 2218 CD LYS A 624 -26.637 8.937 -29.423 1.00 22.81 C ATOM 2219 CE LYS A 624 -25.873 7.857 -30.163 1.00 23.97 C ATOM 2220 NZ LYS A 624 -26.729 7.222 -31.204 1.00 25.76 N ATOM 2221 HZ1 LYS A 624 -27.562 6.794 -30.752 1.00 0.00 H ATOM 2222 HZ2 LYS A 624 -27.036 7.944 -31.887 1.00 0.00 H ATOM 2223 HZ3 LYS A 624 -26.184 6.486 -31.697 1.00 0.00 H ATOM 2224 H LYS A 624 -25.241 12.626 -28.918 1.00 0.00 H ATOM 2225 N THR A 625 -27.695 13.789 -27.190 1.00 21.04 N ATOM 2226 CA THR A 625 -28.520 14.622 -26.322 1.00 19.84 C ATOM 2227 C THR A 625 -29.342 15.655 -27.077 1.00 25.70 C ATOM 2228 O THR A 625 -30.110 16.388 -26.450 1.00 26.14 O ATOM 2229 CB THR A 625 -27.665 15.336 -25.267 1.00 17.97 C ATOM 2230 OG1 THR A 625 -26.692 16.163 -25.926 1.00 19.32 O ATOM 2231 CG2 THR A 625 -26.969 14.328 -24.371 1.00 16.81 C ATOM 2232 HG1 THR A 625 -26.113 15.598 -26.497 1.00 0.00 H ATOM 2233 H THR A 625 -26.744 14.116 -27.457 1.00 0.00 H ATOM 2234 N GLN A 626 -29.194 15.751 -28.390 1.00 26.06 N ATOM 2235 CA GLN A 626 -29.970 16.729 -29.145 1.00 37.72 C ATOM 2236 C GLN A 626 -30.820 16.069 -30.225 1.00 49.31 C ATOM 2237 O GLN A 626 -31.920 15.585 -29.946 1.00 54.69 O ATOM 2238 CB GLN A 626 -29.064 17.811 -29.738 1.00 46.23 C ATOM 2239 CG GLN A 626 -28.926 19.043 -28.851 1.00 52.11 C ATOM 2240 CD GLN A 626 -27.535 19.201 -28.276 1.00 51.88 C ATOM 2241 OE1 GLN A 626 -26.641 19.747 -28.922 1.00 59.25 O ATOM 2242 NE2 GLN A 626 -27.348 18.731 -27.049 1.00 45.51 N ATOM 2243 HE22 GLN A 626 -28.134 18.277 -26.541 1.00 0.00 H ATOM 2244 HE21 GLN A 626 -26.416 18.817 -26.596 1.00 0.00 H ATOM 2245 H GLN A 626 -28.523 15.128 -28.884 1.00 0.00 H TER 2246 GLN A 626 HETATM 2247 O HOH 1 -37.234 20.308 -12.163 1.00 30.21 O HETATM 2248 O HOH 2 -2.429 19.916 -10.696 1.00 22.38 O HETATM 2249 O HOH 3 -14.158 5.377 4.654 1.00 42.07 O HETATM 2250 O HOH 4 6.778 -2.827 -25.291 1.00 42.42 O HETATM 2251 O HOH 5 -26.750 8.173 7.906 1.00 33.78 O HETATM 2252 O HOH 6 -4.176 -6.242 -25.336 1.00 44.18 O HETATM 2253 O HOH 7 6.901 8.529 -20.461 1.00 39.22 O HETATM 2254 O HOH 8 -33.644 9.284 4.811 1.00 24.76 O HETATM 2255 O HOH 9 -13.743 18.445 -27.837 1.00 29.82 O HETATM 2256 O HOH 10 -29.316 26.189 -4.044 1.00 50.07 O HETATM 2257 O HOH 11 -19.741 -1.742 -7.882 1.00 26.76 O HETATM 2258 O HOH 12 -15.731 -4.023 -21.472 1.00 36.12 O HETATM 2259 O HOH 13 -11.425 20.599 -24.332 1.00 48.29 O HETATM 2260 O HOH 14 -6.071 -7.736 -4.711 1.00 43.43 O HETATM 2261 O HOH 15 -22.412 23.694 -12.179 1.00 39.63 O HETATM 2262 O HOH 16 -21.088 -2.586 -10.377 1.00 38.89 O HETATM 2263 O HOH 17 -4.601 12.364 -22.848 1.00 45.10 O HETATM 2264 O HOH 18 -31.427 14.293 -3.564 1.00 32.92 O HETATM 2265 O HOH 19 -7.514 30.687 -16.418 1.00 74.62 O HETATM 2266 O HOH 20 -6.435 12.524 -26.496 1.00 48.33 O HETATM 2267 O HOH 21 -18.104 18.466 -30.368 1.00 46.34 O HETATM 2268 O HOH 22 -34.247 6.386 -28.148 1.00 54.75 O HETATM 2269 O HOH 23 -19.480 -3.692 -13.292 1.00 33.03 O HETATM 2270 O HOH 24 -3.302 10.081 -20.350 1.00 21.72 O HETATM 2271 O HOH 25 -14.635 17.305 3.881 1.00 28.72 O HETATM 2272 O HOH 26 -29.226 3.517 3.084 1.00 26.87 O HETATM 2273 O HOH 27 -37.714 3.011 -13.154 1.00 23.66 O HETATM 2274 O HOH 28 -5.959 -7.096 -17.284 1.00 25.83 O HETATM 2275 O HOH 29 5.518 2.067 -4.174 1.00 35.65 O HETATM 2276 O HOH 30 -2.421 -4.731 -17.373 1.00 22.10 O HETATM 2277 O HOH 31 -38.833 17.524 -12.423 1.00 53.25 O HETATM 2278 O HOH 32 -16.158 -7.919 -17.525 1.00 35.29 O HETATM 2279 O HOH 33 -10.458 3.837 -27.205 1.00 19.51 O HETATM 2280 O HOH 34 8.613 6.857 -18.076 1.00 45.13 O HETATM 2281 O HOH 35 -37.301 7.213 5.717 1.00 22.23 O HETATM 2282 O HOH 36 -12.661 -6.008 -29.823 1.00 39.57 O HETATM 2283 O HOH 37 -32.857 24.364 -11.917 1.00 19.22 O HETATM 2284 O HOH 38 -31.504 12.198 -8.755 1.00 19.91 O HETATM 2285 O HOH 39 -19.540 -1.311 2.767 1.00 39.77 O HETATM 2286 O HOH 40 -11.590 2.492 -20.926 1.00 16.82 O HETATM 2287 O HOH 41 -2.585 -1.408 -4.145 1.00 34.48 O HETATM 2288 O HOH 42 -30.539 19.517 -3.468 1.00 26.18 O HETATM 2289 O HOH 43 -16.166 -8.982 -25.448 1.00 29.66 O HETATM 2290 O HOH 44 -35.142 6.322 -1.919 1.00 14.33 O HETATM 2291 O HOH 45 -9.718 -6.473 -22.037 1.00 32.13 O HETATM 2292 O HOH 46 -16.483 -5.431 -18.613 1.00 19.80 O HETATM 2293 O HOH 47 -29.109 17.435 -0.952 1.00 19.87 O HETATM 2294 O HOH 48 -36.890 11.309 -24.700 1.00 33.71 O HETATM 2295 O HOH 49 -5.066 24.050 -12.416 1.00 42.58 O HETATM 2296 O HOH 50 -12.220 4.889 -25.247 1.00 16.37 O HETATM 2297 O HOH 51 -7.691 -0.229 -26.696 1.00 25.98 O HETATM 2298 O HOH 52 -6.408 7.126 -10.952 1.00 12.56 O HETATM 2299 O HOH 53 -26.805 -6.299 -20.521 1.00 18.53 O HETATM 2300 O HOH 54 -22.185 -1.817 -26.864 1.00 26.82 O HETATM 2301 O HOH 55 -15.044 -1.956 -25.329 1.00 17.31 O HETATM 2302 O HOH 56 10.150 6.240 -7.565 1.00 35.71 O HETATM 2303 O HOH 57 -12.350 -0.857 1.415 1.00 24.01 O HETATM 2304 O HOH 58 -0.088 -4.381 -15.923 1.00 23.58 O HETATM 2305 O HOH 59 -31.809 16.709 -24.385 1.00 31.56 O HETATM 2306 O HOH 60 -41.508 3.687 -12.657 1.00 38.20 O HETATM 2307 O HOH 61 -31.939 -7.996 -3.935 1.00 44.66 O HETATM 2308 O HOH 62 -30.534 10.153 -28.602 1.00 30.76 O HETATM 2309 O HOH 63 -12.623 11.151 -30.860 1.00 33.06 O HETATM 2310 O HOH 64 -16.928 13.112 -34.833 1.00 48.62 O HETATM 2311 O HOH 65 0.263 5.029 -11.114 1.00 19.87 O HETATM 2312 O HOH 66 -35.004 3.510 -13.474 1.00 15.41 O HETATM 2313 O HOH 67 -15.006 8.984 -10.287 1.00 10.75 O HETATM 2314 O HOH 68 -24.825 13.376 5.776 1.00 55.88 O HETATM 2315 O HOH 69 -13.894 -7.125 -2.033 1.00 33.70 O HETATM 2316 O HOH 70 -18.883 10.633 -15.150 1.00 12.87 O HETATM 2317 O HOH 71 -23.992 13.806 -4.507 1.00 22.39 O HETATM 2318 O HOH 72 -29.384 3.612 6.902 1.00 38.31 O HETATM 2319 O HOH 73 -6.539 9.031 3.531 1.00 23.39 O HETATM 2320 O HOH 74 -8.287 13.932 -0.131 1.00 16.74 O HETATM 2321 O HOH 75 -22.534 -2.772 -4.003 1.00 29.26 O HETATM 2322 O HOH 76 -31.745 11.972 -5.712 1.00 18.28 O HETATM 2323 O HOH 77 -2.807 4.507 0.069 1.00 21.23 O HETATM 2324 O HOH 78 -29.587 14.288 0.395 1.00 19.87 O HETATM 2325 O HOH 79 5.462 11.428 -21.869 1.00 37.79 O HETATM 2326 O HOH 80 3.259 -2.322 -10.000 1.00 29.51 O HETATM 2327 O HOH 81 -1.587 6.208 -8.270 1.00 14.80 O HETATM 2328 O HOH 82 -1.896 3.563 -9.193 1.00 15.59 O HETATM 2329 O HOH 83 4.757 4.638 -24.670 1.00 29.78 O HETATM 2330 O HOH 84 -35.332 13.163 -12.078 1.00 14.00 O HETATM 2331 O HOH 85 -7.796 -4.995 -12.473 1.00 24.25 O HETATM 2332 O HOH 86 -25.010 -4.175 -14.749 1.00 18.45 O HETATM 2333 O HOH 87 -11.365 15.419 3.849 1.00 17.16 O HETATM 2334 O HOH 88 -22.316 15.887 -32.958 1.00 29.97 O HETATM 2335 O HOH 89 -4.841 1.426 -11.511 1.00 15.22 O HETATM 2336 O HOH 90 -14.526 5.614 -2.045 1.00 11.30 O HETATM 2337 O HOH 91 -20.476 24.673 -6.382 1.00 49.16 O HETATM 2338 O HOH 92 -11.346 8.143 4.269 1.00 28.30 O HETATM 2339 O HOH 93 -12.915 4.290 -22.620 1.00 14.74 O HETATM 2340 O HOH 94 -6.027 12.170 -0.248 1.00 17.42 O HETATM 2341 O HOH 95 -31.197 -2.176 -17.354 1.00 38.33 O HETATM 2342 O HOH 96 -8.939 3.605 -11.563 1.00 12.62 O HETATM 2343 O HOH 97 -9.362 -4.085 -23.612 1.00 20.20 O HETATM 2344 O HOH 98 -20.607 22.182 2.921 1.00 21.43 O HETATM 2345 O HOH 99 -25.457 15.233 -7.232 1.00 13.11 O HETATM 2346 O HOH 100 -18.511 -5.189 -15.442 1.00 29.46 O HETATM 2347 O HOH 101 -3.440 -0.242 -9.785 1.00 15.54 O HETATM 2348 O HOH 102 -28.291 9.007 -32.738 1.00 42.03 O HETATM 2349 O HOH 103 -0.160 0.614 -3.545 1.00 39.69 O HETATM 2350 O HOH 104 -10.347 6.875 0.326 1.00 15.66 O HETATM 2351 O HOH 105 -7.365 4.008 1.168 1.00 18.47 O HETATM 2352 O HOH 106 -14.349 19.562 2.267 1.00 32.16 O HETATM 2353 O HOH 107 -22.603 -2.815 -20.697 1.00 14.93 O HETATM 2354 O HOH 108 -11.607 15.321 -21.691 1.00 13.84 O HETATM 2355 O HOH 109 -0.139 -4.626 -11.862 1.00 23.21 O HETATM 2356 O HOH 110 -22.038 -9.570 -19.195 1.00 27.80 O HETATM 2357 O HOH 111 -18.178 22.058 0.307 1.00 39.28 O HETATM 2358 O HOH 112 -18.061 14.490 5.501 1.00 28.15 O HETATM 2359 O HOH 113 -21.936 23.513 -4.680 1.00 25.48 O HETATM 2360 O HOH 114 2.675 8.065 -4.396 1.00 18.14 O HETATM 2361 O HOH 115 -0.595 4.186 -27.572 1.00 36.23 O HETATM 2362 O HOH 116 -18.445 23.044 -14.068 1.00 16.68 O HETATM 2363 O HOH 117 -17.572 17.527 5.913 1.00 33.29 O HETATM 2364 O HOH 118 2.426 11.068 -12.002 1.00 23.54 O HETATM 2365 O HOH 119 -30.969 7.508 -28.699 1.00 43.74 O HETATM 2366 O HOH 120 -42.886 8.064 4.997 1.00 23.40 O HETATM 2367 O HOH 121 -32.998 10.267 -27.017 1.00 35.35 O HETATM 2368 O HOH 122 -10.079 5.030 -13.686 1.00 13.01 O HETATM 2369 O HOH 123 -38.269 9.048 -9.531 1.00 19.34 O HETATM 2370 O HOH 124 -19.231 24.117 -3.695 1.00 52.85 O HETATM 2371 O HOH 125 -22.020 23.540 -16.036 1.00 44.10 O HETATM 2372 O HOH 126 -40.895 9.479 -13.240 1.00 25.75 O HETATM 2373 O HOH 127 -2.454 13.975 -2.644 1.00 17.62 O HETATM 2374 O HOH 128 4.145 10.533 -10.030 1.00 28.98 O HETATM 2375 O HOH 129 -41.259 5.856 5.386 1.00 32.35 O HETATM 2376 O HOH 130 -11.559 18.315 3.368 1.00 19.01 O HETATM 2377 O HOH 131 -14.605 -1.914 -29.740 1.00 37.90 O HETATM 2378 O HOH 132 -3.927 16.894 -10.685 1.00 14.64 O HETATM 2379 O HOH 133 -37.146 1.274 -8.036 1.00 29.87 O HETATM 2380 O HOH 134 -36.539 -6.905 -16.323 1.00 23.11 O HETATM 2381 O HOH 135 -5.845 24.479 -15.684 1.00 31.13 O HETATM 2382 O HOH 136 -3.704 8.928 1.270 1.00 23.09 O HETATM 2383 O HOH 137 -32.300 11.531 2.472 1.00 16.53 O HETATM 2384 O HOH 138 -31.103 12.258 -3.048 1.00 30.36 O HETATM 2385 O HOH 139 -31.039 3.952 -26.356 1.00 27.33 O HETATM 2386 O HOH 140 -36.732 2.288 -16.767 1.00 46.11 O HETATM 2387 O HOH 141 -16.973 -5.767 -1.059 1.00 29.65 O HETATM 2388 O HOH 142 -19.791 16.586 -2.403 1.00 14.73 O HETATM 2389 O HOH 143 -23.750 18.006 -2.535 1.00 20.50 O HETATM 2390 O HOH 144 -27.642 -3.927 -0.043 1.00 52.37 O HETATM 2391 O HOH 145 -17.681 7.596 -8.633 1.00 9.97 O HETATM 2392 O HOH 146 2.121 13.118 -13.704 1.00 25.58 O HETATM 2393 O HOH 147 -14.875 -5.850 -12.851 1.00 21.41 O HETATM 2394 O HOH 148 1.743 11.330 -24.977 1.00 31.46 O HETATM 2395 O HOH 149 -40.157 11.137 -19.243 1.00 39.78 O HETATM 2396 O HOH 150 9.593 6.317 -15.522 1.00 48.67 O HETATM 2397 O HOH 151 -15.953 15.141 -8.595 1.00 10.03 O HETATM 2398 O HOH 152 -13.289 -6.460 2.101 1.00 42.88 O HETATM 2399 O HOH 153 -27.615 -3.963 -17.383 1.00 21.78 O HETATM 2400 O HOH 154 -34.280 -8.125 -18.354 1.00 16.99 O HETATM 2401 O HOH 155 -17.506 12.033 -30.379 1.00 23.24 O HETATM 2402 O HOH 156 7.076 9.943 -22.818 1.00 49.41 O HETATM 2403 O HOH 157 -20.675 10.815 -33.129 1.00 50.03 O HETATM 2404 O HOH 158 -13.421 -2.722 -27.379 1.00 25.13 O HETATM 2405 O HOH 159 -38.778 4.927 -2.367 1.00 29.02 O HETATM 2406 O HOH 160 -18.991 5.971 -6.710 1.00 9.49 O HETATM 2407 O HOH 161 3.757 -2.197 -19.589 1.00 28.18 O HETATM 2408 O HOH 162 -24.325 15.371 6.994 1.00 36.62 O HETATM 2409 O HOH 163 -36.895 -1.925 -8.256 1.00 39.52 O HETATM 2410 O HOH 164 -35.728 8.865 -24.233 1.00 34.21 O HETATM 2411 O HOH 165 -26.797 -9.342 -13.712 1.00 27.59 O HETATM 2412 O HOH 166 -38.543 8.478 -2.625 1.00 29.18 O HETATM 2413 O HOH 167 -1.155 12.796 -23.693 1.00 34.84 O HETATM 2414 O HOH 168 -37.199 16.627 -10.327 1.00 28.68 O HETATM 2415 O HOH 169 -11.571 12.025 5.838 1.00 25.12 O HETATM 2416 O HOH 170 2.244 -1.298 -5.787 1.00 27.90 O HETATM 2417 O HOH 171 -33.777 24.867 -7.676 1.00 44.40 O HETATM 2418 O HOH 172 -36.531 3.087 4.293 1.00 27.77 O HETATM 2419 O HOH 173 -32.965 2.549 -22.813 1.00 21.85 O HETATM 2420 O HOH 174 -31.574 -2.421 0.904 1.00 28.01 O HETATM 2421 O HOH 175 -3.382 19.690 -7.236 1.00 25.94 O HETATM 2422 O HOH 176 -36.521 10.727 -12.867 1.00 15.39 O HETATM 2423 O HOH 177 3.236 11.918 -17.791 1.00 24.76 O HETATM 2424 O HOH 178 -26.436 11.880 2.217 1.00 19.85 O HETATM 2425 O HOH 179 -34.199 0.929 -14.419 1.00 20.04 O HETATM 2426 O HOH 180 -34.587 -0.095 -0.827 1.00 39.31 O HETATM 2427 O HOH 181 -24.518 0.020 -1.356 1.00 29.03 O HETATM 2428 O HOH 182 0.006 -1.449 -27.295 1.00 39.11 O HETATM 2429 O HOH 183 -16.033 24.248 -6.404 1.00 32.22 O HETATM 2430 O HOH 184 -14.296 7.835 5.317 1.00 31.68 O HETATM 2431 O HOH 185 -31.508 2.681 4.816 1.00 48.12 O HETATM 2432 O HOH 186 4.566 8.664 -6.352 1.00 16.63 O HETATM 2433 O HOH 187 -21.852 15.805 -3.564 1.00 22.27 O HETATM 2434 O HOH 188 -5.329 6.614 -30.587 1.00 31.86 O HETATM 2435 O HOH 189 -16.824 25.256 -11.607 1.00 34.55 O HETATM 2436 O HOH 190 -29.378 -4.794 -5.872 1.00 27.97 O HETATM 2437 O HOH 191 -2.598 16.878 -13.376 1.00 19.63 O HETATM 2438 O HOH 192 -3.967 -8.367 -11.426 1.00 42.18 O HETATM 2439 O HOH 193 -27.833 1.488 -25.507 1.00 29.00 O HETATM 2440 O HOH 194 -5.339 13.718 -2.404 1.00 14.65 O HETATM 2441 O HOH 195 -25.802 -9.438 -19.283 1.00 17.61 O HETATM 2442 O HOH 196 -20.384 13.731 6.737 1.00 39.14 O HETATM 2443 O HOH 197 1.471 2.555 -2.946 1.00 32.57 O HETATM 2444 O HOH 198 -1.868 16.342 -4.239 1.00 20.76 O HETATM 2445 O HOH 199 0.918 10.437 -3.557 1.00 19.21 O HETATM 2446 O HOH 200 -18.983 -3.616 -0.845 1.00 29.13 O HETATM 2447 O HOH 201 -4.031 17.868 -19.891 1.00 29.91 O HETATM 2448 O HOH 202 -20.243 18.177 4.917 1.00 18.12 O HETATM 2449 O HOH 203 -19.859 6.551 7.954 1.00 26.36 O HETATM 2450 O HOH 204 -25.669 11.160 8.762 1.00 43.15 O HETATM 2451 O HOH 205 -17.633 3.104 5.060 1.00 31.15 O HETATM 2452 O HOH 206 -31.657 18.259 -19.816 1.00 22.25 O HETATM 2453 O HOH 207 -16.835 6.370 4.641 1.00 23.56 O HETATM 2454 O HOH 208 -15.967 -6.786 -10.468 1.00 33.00 O HETATM 2455 O HOH 209 -37.213 -6.294 -13.364 1.00 37.70 O HETATM 2456 O HOH 210 -34.092 17.068 -6.424 1.00 42.32 O HETATM 2457 O HOH 211 -6.669 24.980 -9.429 1.00 32.86 O HETATM 2458 O HOH 212 -17.037 0.630 4.429 1.00 65.54 O HETATM 2459 O HOH 213 -8.454 -6.432 -16.245 1.00 21.98 O HETATM 2460 O HOH 214 -36.537 2.108 -10.358 1.00 28.13 O HETATM 2461 O HOH 215 -27.747 -5.273 -13.962 1.00 33.54 O HETATM 2462 O HOH 216 -12.958 0.288 -31.282 1.00 47.20 O HETATM 2463 O HOH 217 -38.472 13.395 -21.357 1.00 41.33 O HETATM 2464 O HOH 218 -35.573 18.185 -8.790 1.00 33.21 O HETATM 2465 O HOH 219 -27.401 -5.855 -7.356 1.00 36.48 O HETATM 2466 O HOH 220 -29.211 6.126 -29.722 1.00 33.83 O HETATM 2467 O HOH 221 -17.778 -5.285 -9.151 1.00 36.43 O HETATM 2468 O HOH 222 -12.535 22.579 -21.214 1.00 39.06 O HETATM 2469 O HOH 223 -34.228 0.143 -19.067 1.00 48.56 O HETATM 2470 O HOH 224 -11.928 5.868 -31.821 1.00 35.57 O HETATM 2471 O HOH 225 -38.325 10.086 -5.541 1.00 23.87 O HETATM 2472 O HOH 226 -12.739 20.759 1.256 1.00 31.98 O HETATM 2473 O HOH 227 -36.613 13.129 -7.648 1.00 25.90 O HETATM 2474 O HOH 228 -32.813 15.169 -5.423 1.00 54.17 O HETATM 2475 O HOH 229 -18.062 22.822 -6.332 1.00 27.97 O HETATM 2476 O HOH 230 -4.920 -3.677 -0.364 1.00 53.90 O HETATM 2477 O HOH 231 -40.850 3.526 -15.018 1.00 41.50 O HETATM 2478 O HOH 232 -12.289 -7.431 -5.828 1.00 43.19 O HETATM 2479 O HOH 233 -4.990 -1.198 -2.094 1.00 56.64 O HETATM 2480 O HOH 234 -2.885 -5.255 -26.950 1.00 52.29 O HETATM 2481 O HOH 235 -19.645 25.475 -13.952 1.00 61.16 O HETATM 2482 O HOH 236 -10.917 -8.244 -10.203 1.00 43.41 O HETATM 2483 O HOH 237 -15.821 26.587 -8.799 1.00 43.08 O HETATM 2484 O HOH 238 5.923 -2.770 -9.333 1.00 41.19 O HETATM 2485 O HOH 239 10.101 1.982 -12.765 1.00 44.89 O HETATM 2486 O HOH 240 -27.059 -3.678 -21.444 1.00 23.56 O HETATM 2487 O HOH 241 -3.115 13.781 -20.542 1.00 35.02 O HETATM 2488 O HOH 242 -6.082 -3.719 -26.167 1.00 55.74 O HETATM 2489 O HOH 243 -31.600 18.434 -22.506 1.00 41.40 O HETATM 2490 O HOH 244 -43.024 6.412 2.506 1.00 64.13 O HETATM 2491 O HOH 245 8.391 6.860 -22.876 1.00 43.80 O HETATM 2492 O HOH 246 -27.734 26.005 -8.400 1.00 45.13 O HETATM 2493 O HOH 247 -13.497 -8.931 -0.018 1.00 45.66 O HETATM 2494 O HOH 248 5.585 12.196 -19.617 1.00 40.74 O HETATM 2495 O HOH 249 -7.930 -0.001 -29.841 1.00 32.04 O HETATM 2496 O HOH 250 1.957 -4.360 -18.064 1.00 41.47 O HETATM 2497 O HOH 251 -29.387 -6.863 -3.812 1.00 40.73 O HETATM 2498 O HOH 252 -24.509 -3.905 -22.323 1.00 18.85 O HETATM 2499 O HOH 253 -40.157 -5.101 -14.514 1.00 40.17 O HETATM 2500 O HOH 254 -10.533 4.680 -29.845 1.00 31.34 O HETATM 2501 O HOH 255 5.198 1.790 -24.503 1.00 39.32 O HETATM 2502 O HOH 256 -8.344 -5.953 -9.934 1.00 36.03 O HETATM 2503 O HOH 257 -12.126 13.385 7.597 1.00 42.20 O HETATM 2504 O HOH 258 -6.217 16.015 -21.357 1.00 48.20 O HETATM 2505 O HOH 259 3.670 -0.178 -25.588 1.00 49.11 O HETATM 2506 O HOH 260 -33.953 13.501 -6.696 1.00 34.59 O HETATM 2507 O HOH 261 2.071 6.116 -13.143 1.00 53.00 O HETATM 2508 O HOH 262 -14.264 22.520 -0.143 1.00 42.57 O HETATM 2509 O HOH 263 -21.389 16.443 6.840 1.00 32.04 O HETATM 2510 O HOH 264 -40.316 4.982 -3.972 1.00 51.28 O HETATM 2511 O HOH 265 -8.894 5.579 2.410 1.00 25.71 O HETATM 2512 O HOH 266 -34.363 2.022 -20.558 1.00 49.66 O HETATM 2513 O HOH 267 -11.816 -9.680 -18.446 1.00 47.43 O HETATM 2514 O HOH 268 -1.900 17.433 -8.416 1.00 34.95 O HETATM 2515 O HOH 269 -9.596 17.041 -22.237 1.00 30.87 O HETATM 2516 O HOH 270 0.442 -6.486 -13.998 1.00 30.52 O HETATM 2517 O HOH 271 -32.959 -6.429 1.928 1.00 44.02 O HETATM 2518 O HOH 272 10.940 6.270 -4.938 1.00 46.88 O HETATM 2519 O HOH 273 -3.073 22.365 -7.270 1.00 33.61 O HETATM 2520 O HOH 274 -23.246 18.825 7.949 1.00 33.13 O HETATM 2521 O HOH 275 -31.558 26.541 -13.569 1.00 26.37 O HETATM 2522 O HOH 276 -1.932 17.035 -19.496 1.00 60.82 O HETATM 2523 O HOH 277 -4.220 24.534 -8.494 1.00 35.07 O HETATM 2524 O HOH 278 -6.081 6.575 3.293 1.00 34.82 O HETATM 2525 O HOH 279 -8.170 6.047 -31.099 1.00 52.71 O HETATM 2526 O HOH 280 -16.386 -7.494 1.557 1.00 55.91 O HETATM 2527 O HOH 281 -28.990 -10.513 -13.218 1.00 48.16 O HETATM 2528 O HOH 282 -33.085 -8.487 1.701 1.00 72.26 O HETATM 2529 O HOH 283 -6.198 -9.862 -17.202 1.00 53.45 O HETATM 2530 O HOH 284 -31.863 14.074 -1.047 1.00 18.87 O HETATM 2531 O HOH 285 -29.396 11.984 1.866 1.00 26.00 O HETATM 2532 O HOH 286 -18.767 -9.171 -17.376 1.00 65.91 O HETATM 2533 O HOH 287 4.249 6.933 -2.403 1.00 24.67 O HETATM 2534 O HOH 288 -28.518 -1.879 -20.104 1.00 43.42 O HETATM 2535 O HOH 289 -10.817 9.623 5.935 1.00 58.72 O HETATM 2536 O HOH 290 -37.588 4.491 6.218 1.00 33.83 O HETATM 2537 O HOH 291 -4.595 3.045 1.326 1.00 28.36 O HETATM 2538 O HOH 292 -16.649 -6.904 -14.680 1.00 36.49 O HETATM 2539 O HOH 293 -38.951 10.594 -11.708 1.00 22.57 O HETATM 2540 O HOH 294 -18.451 23.525 3.317 1.00 43.94 O HETATM 2541 O HOH 295 -19.105 3.739 7.816 1.00 42.21 O HETATM 2542 O HOH 296 -40.056 8.930 -7.043 1.00 35.23 O HETATM 2543 O HOH 297 -9.694 -8.586 -17.813 1.00 42.52 O HETATM 2544 O HOH 298 -33.169 2.233 -26.034 1.00 50.89 O HETATM 2545 O HOH 299 -13.453 -8.056 -12.945 1.00 43.92 O HETATM 2546 O HOH 300 3.418 5.275 -26.987 1.00 41.27 O HETATM 2547 O HOH 301 -9.431 6.198 4.953 1.00 56.65 O HETATM 2548 O HOH 302 -20.131 8.194 9.854 1.00 43.41 O HETATM 2549 O HOH 303 -9.710 -8.465 -6.591 1.00 58.32 O HETATM 2550 O HOH 304 -17.437 6.080 7.209 1.00 46.41 O HETATM 2551 O HOH 305 2.216 -4.222 -10.629 1.00 32.35 O HETATM 2552 O HOH 306 -8.067 -4.739 -25.746 1.00 39.04 O HETATM 2553 O HOH 307 -3.280 6.353 2.016 1.00 22.46 O HETATM 2554 O HOH 308 -37.067 14.240 -10.133 1.00 21.09 O HETATM 2555 O HOH 309 -0.071 17.557 -12.634 1.00 32.10 O HETATM 2556 O HOH 310 -28.937 3.444 -28.222 1.00 40.13 O HETATM 2557 O HOH 311 -33.374 13.634 1.179 1.00 17.11 O HETATM 2558 O HOH 312 7.114 8.954 -5.329 1.00 18.70 O HETATM 2559 O HOH 313 -33.028 -9.959 -19.840 1.00 18.39 O HETATM 2560 O HOH 314 -3.908 -4.847 -28.671 1.00 49.97 O HETATM 2561 O HOH 315 -0.224 18.939 -10.009 1.00 52.70 O HETATM 2562 O HOH 316 -32.262 -4.578 -23.265 1.00 29.98 O HETATM 2563 O HOH 317 -32.252 16.784 -1.769 1.00 25.21 O HETATM 2564 O HOH 318 -40.429 3.893 6.791 1.00 44.96 O HETATM 2565 O HOH 319 -18.791 21.205 7.172 1.00 31.64 O HETATM 2566 O HOH 320 -17.319 -7.528 -3.297 1.00 48.75 O HETATM 2567 O HOH 321 -5.101 11.739 4.096 1.00 32.33 O HETATM 2568 O HOH 322 -29.576 -4.895 2.365 1.00 54.64 O HETATM 2569 O HOH 323 -3.367 1.098 -0.225 1.00 44.26 O HETATM 2570 O HOH 324 -26.106 25.382 -11.118 1.00 43.05 O HETATM 2571 O HOH 325 -39.665 12.933 -10.435 1.00 26.86 O HETATM 2572 O HOH 326 -29.297 27.652 -12.481 1.00 34.50 O HETATM 2573 O HOH 327 2.762 -7.196 -14.351 1.00 50.07 O HETATM 2574 O HOH 328 3.671 -6.389 -11.300 1.00 45.09 O HETATM 2575 O HOH 329 -30.501 29.797 -10.799 1.00 49.99 O HETATM 2576 O HOH 330 -29.038 -3.200 -23.313 1.00 33.49 O HETATM 2577 O HOH 331 -27.042 27.246 -12.619 1.00 40.85 O HETATM 2578 O HOH 332 -2.330 -0.598 1.486 1.00 51.58 O HETATM 2579 O HOH 333 -1.610 -2.221 -35.007 1.00 46.59 O HETATM 2580 O HOH 334 -4.495 -2.549 -34.872 1.00 38.85 O HETATM 2581 C01 GBT A 335 -12.371 2.144 -11.676 1.00 -0.02 C HETATM 2582 C02 GBT A 335 -11.450 0.928 -11.452 1.00 0.00 C HETATM 2583 N03 GBT A 335 -10.210 1.198 -11.100 1.00 -0.31 N HETATM 2584 C04 GBT A 335 -9.313 0.237 -10.892 1.00 0.08 C HETATM 2585 N05 GBT A 335 -8.016 0.607 -10.554 1.00 -0.33 N HETATM 2586 H4 GBT A 335 -7.301 -0.116 -10.387 1.00 0.17 H HETATM 2587 H5 GBT A 335 -7.770 1.604 -10.470 1.00 0.17 H HETATM 2588 C06 GBT A 335 -9.691 -1.100 -10.999 1.00 -0.00 C HETATM 2589 C07 GBT A 335 -10.983 -1.394 -11.354 1.00 0.10 C HETATM 2590 O08 GBT A 335 -11.476 -2.687 -11.486 1.00 -0.32 O HETATM 2591 C09 GBT A 335 -10.559 -3.798 -11.306 1.00 0.08 C HETATM 2592 C10 GBT A 335 -11.086 -4.994 -12.114 1.00 -0.01 C HETATM 2593 C11 GBT A 335 -11.307 -4.614 -13.579 1.00 -0.10 C HETATM 2594 C12 GBT A 335 -11.646 -5.596 -14.495 1.00 -0.10 C HETATM 2595 C13 GBT A 335 -12.033 -5.202 -15.916 1.00 -0.03 C HETATM 2596 C14 GBT A 335 -12.348 -6.405 -16.876 1.00 -0.02 C HETATM 2597 C15 GBT A 335 -11.996 -6.048 -18.357 1.00 0.07 C HETATM 2598 O16 GBT A 335 -12.559 -4.752 -18.631 1.00 -0.32 O HETATM 2599 C17 GBT A 335 -11.790 -3.657 -19.016 1.00 0.09 C HETATM 2600 C18 GBT A 335 -10.431 -3.762 -19.354 1.00 -0.04 C HETATM 2601 C19 GBT A 335 -9.685 -2.637 -19.720 1.00 -0.03 C HETATM 2602 C20 GBT A 335 -8.178 -2.762 -20.102 1.00 0.10 C HETATM 2603 N21 GBT A 335 -7.877 -1.800 -21.143 1.00 -0.20 N HETATM 2604 C22 GBT A 335 -7.157 -0.673 -21.024 1.00 0.05 C HETATM 2605 C23 GBT A 335 -7.097 -0.054 -22.207 1.00 -0.05 C HETATM 2606 C24 GBT A 335 -7.846 -0.836 -23.060 1.00 -0.01 C HETATM 2607 N25 GBT A 335 -8.284 -1.860 -22.382 1.00 -0.22 N HETATM 2608 H24 GBT A 335 -8.038 -0.634 -24.113 1.00 0.07 H HETATM 2609 H23 GBT A 335 -6.570 0.869 -22.445 1.00 0.03 H HETATM 2610 H22 GBT A 335 -6.693 -0.318 -20.105 1.00 0.10 H HETATM 2611 H20 GBT A 335 -7.973 -3.779 -20.468 1.00 0.08 H HETATM 2612 H21 GBT A 335 -7.555 -2.558 -19.219 1.00 0.08 H HETATM 2613 C26 GBT A 335 -10.283 -1.391 -19.729 1.00 -0.08 C HETATM 2614 C27 GBT A 335 -11.628 -1.289 -19.366 1.00 -0.07 C HETATM 2615 C28 GBT A 335 -12.397 -2.404 -19.008 1.00 0.01 C HETATM 2616 C29 GBT A 335 -13.923 -2.299 -18.683 1.00 0.10 C HETATM 2617 N30 GBT A 335 -14.294 -2.681 -17.328 1.00 -0.19 N HETATM 2618 C31 GBT A 335 -13.835 -2.076 -16.232 1.00 0.08 C HETATM 2619 C32 GBT A 335 -14.391 -2.653 -15.144 1.00 0.07 C HETATM 2620 C33 GBT A 335 -15.243 -3.646 -15.643 1.00 0.01 C HETATM 2621 N34 GBT A 335 -15.139 -3.600 -16.925 1.00 -0.21 N HETATM 2622 H30 GBT A 335 -15.869 -4.322 -15.062 1.00 0.07 H HETATM 2623 C35 GBT A 335 -14.203 -2.316 -13.681 1.00 0.19 C HETATM 2624 O36 GBT A 335 -14.537 -3.023 -12.837 1.00 -0.40 O HETATM 2625 N37 GBT A 335 -13.551 -1.115 -13.305 1.00 -0.28 N HETATM 2626 C38 GBT A 335 -13.367 -0.742 -11.921 1.00 0.06 C HETATM 2627 C39 GBT A 335 -11.890 -0.378 -11.564 1.00 0.02 C HETATM 2628 H32 GBT A 335 -13.680 -1.586 -11.289 1.00 0.06 H HETATM 2629 H33 GBT A 335 -14.002 0.131 -11.708 1.00 0.06 H HETATM 2630 H31 GBT A 335 -13.207 -0.506 -14.020 1.00 0.19 H HETATM 2631 H29 GBT A 335 -13.126 -1.250 -16.216 1.00 0.11 H HETATM 2632 H27 GBT A 335 -14.466 -2.952 -19.382 1.00 0.08 H HETATM 2633 H28 GBT A 335 -14.234 -1.256 -18.840 1.00 0.08 H HETATM 2634 H26 GBT A 335 -12.094 -0.310 -19.361 1.00 0.05 H HETATM 2635 H25 GBT A 335 -9.719 -0.510 -20.012 1.00 0.04 H HETATM 2636 H19 GBT A 335 -9.951 -4.734 -19.331 1.00 0.05 H HETATM 2637 H17 GBT A 335 -12.427 -6.797 -19.037 1.00 0.06 H HETATM 2638 H18 GBT A 335 -10.904 -6.019 -18.488 1.00 0.06 H HETATM 2639 H15 GBT A 335 -13.419 -6.647 -16.809 1.00 0.03 H HETATM 2640 H16 GBT A 335 -11.755 -7.278 -16.566 1.00 0.03 H HETATM 2641 H13 GBT A 335 -11.201 -4.628 -16.350 1.00 0.04 H HETATM 2642 H14 GBT A 335 -12.928 -4.565 -15.862 1.00 0.04 H HETATM 2643 H12 GBT A 335 -11.636 -6.645 -14.201 1.00 0.04 H HETATM 2644 H11 GBT A 335 -11.199 -3.579 -13.899 1.00 0.05 H HETATM 2645 H9 GBT A 335 -12.041 -5.327 -11.681 1.00 0.04 H HETATM 2646 H10 GBT A 335 -10.354 -5.813 -12.062 1.00 0.04 H HETATM 2647 H7 GBT A 335 -10.503 -4.065 -10.240 1.00 0.06 H HETATM 2648 H8 GBT A 335 -9.559 -3.517 -11.667 1.00 0.06 H HETATM 2649 H6 GBT A 335 -8.977 -1.893 -10.805 1.00 0.05 H HETATM 2650 H1 GBT A 335 -13.374 1.796 -11.964 1.00 0.04 H HETATM 2651 H2 GBT A 335 -11.957 2.775 -12.477 1.00 0.04 H HETATM 2652 H3 GBT A 335 -12.439 2.729 -10.747 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 283 282 419 CONECT 419 283 418 CONECT 1112 1113 1120 1121 1122 CONECT 1120 1112 CONECT 1121 1112 CONECT 1122 1112 CONECT 1171 1170 1819 CONECT 1475 1474 1650 CONECT 1650 1475 1649 CONECT 1743 1742 1992 CONECT 1819 1171 1818 CONECT 1992 1743 1991 CONECT 2581 2582 2650 2651 2652 CONECT 2582 2581 2583 2627 CONECT 2583 2582 2584 CONECT 2584 2583 2585 2588 CONECT 2585 2584 2586 2587 CONECT 2586 2585 CONECT 2587 2585 CONECT 2588 2584 2589 2649 CONECT 2589 2588 2590 2627 CONECT 2590 2589 2591 CONECT 2591 2590 2592 2647 2648 CONECT 2592 2591 2593 2645 2646 CONECT 2593 2592 2594 2644 CONECT 2594 2593 2595 2643 CONECT 2595 2594 2596 2641 2642 CONECT 2596 2595 2597 2639 2640 CONECT 2597 2596 2598 2637 2638 CONECT 2598 2597 2599 CONECT 2599 2598 2600 2615 CONECT 2600 2599 2601 2636 CONECT 2601 2600 2602 2613 CONECT 2602 2601 2603 2611 2612 CONECT 2603 2602 2604 2607 CONECT 2604 2603 2605 2610 CONECT 2605 2604 2606 2609 CONECT 2606 2605 2607 2608 CONECT 2607 2603 2606 CONECT 2608 2606 CONECT 2609 2605 CONECT 2610 2604 CONECT 2611 2602 CONECT 2612 2602 CONECT 2613 2601 2614 2635 CONECT 2614 2613 2615 2634 CONECT 2615 2599 2614 2616 CONECT 2616 2615 2617 2632 2633 CONECT 2617 2616 2618 2621 CONECT 2618 2617 2619 2631 CONECT 2619 2618 2620 2623 CONECT 2620 2619 2621 2622 CONECT 2621 2617 2620 CONECT 2622 2620 CONECT 2623 2619 2624 2625 CONECT 2624 2623 CONECT 2625 2623 2626 2630 CONECT 2626 2625 2627 2628 2629 CONECT 2627 2582 2589 2626 CONECT 2628 2626 CONECT 2629 2626 CONECT 2630 2625 CONECT 2631 2618 CONECT 2632 2616 CONECT 2633 2616 CONECT 2634 2614 CONECT 2635 2613 CONECT 2636 2600 CONECT 2637 2597 CONECT 2638 2597 CONECT 2639 2596 CONECT 2640 2596 CONECT 2641 2595 CONECT 2642 2595 CONECT 2643 2594 CONECT 2644 2593 CONECT 2645 2592 CONECT 2646 2592 CONECT 2647 2591 CONECT 2648 2591 CONECT 2649 2588 CONECT 2650 2581 CONECT 2651 2581 CONECT 2652 2581 MASTER 0 0 0 0 0 0 0 0 2650 2 88 18 END
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Structure:
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Related entries of code: 5tjx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6o1g
RCSB PDB
PDBbind
638aa, >6O1G_1|Chain... *
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
5tjx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human plasma kallikrein
Ligand Name
GBT
EC.Number
E.C.3.4.21.34
Resolution
1.41(Å)
Affinity (Kd/Ki/IC50)
IC50=153nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. 2017,8 : pp.185 -190
Ligand Properties
Formula
C
2
9
H
3
3
N
7
O
3
Molecular Weight
527.617
Exact Mass
527.264
No. of atoms
72
No. of bonds
76
Polar Surface Area
122.11
LOGP Value
2.94 (
Computed with XLOGP3
)
4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
Nc1cc2OCC/C=C/CCCOc3c(Cn4cc(C(=O)NCc2c(n1)C)cn4)ccc(c3)Cn1cccn1
InChI String
InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+
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):
P03952
Entrez Gene ID
NCBI Entrez Gene ID:
3818
ASD
Information of known allosteric effects of PDB entries
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