Browse entries in the PDBbind-CN Database
HEADER 5ZUJ_COMPLEX COMPND 5ZUJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 153 ASN GLY ILE TYR ILE TRP LYS ILE GLY ASN PHE GLY MET SEQRES 2 A 153 HIS LEU LYS CYS GLN GLU GLU GLU LYS PRO VAL VAL ILE SEQRES 3 A 153 HIS SER PRO GLY PHE TYR THR GLY LYS PRO GLY TYR LYS SEQRES 4 A 153 LEU CYS MET ARG LEU HIS LEU GLN LEU PRO THR ALA GLN SEQRES 5 A 153 ARG CYS ALA ASN TYR ILE SER LEU PHE VAL HIS THR MET SEQRES 6 A 153 GLN GLY GLU TYR ASP SER HIS LEU PRO TRP PRO PHE GLN SEQRES 7 A 153 GLY THR ILE ARG LEU THR ILE LEU ASP GLN SER GLU ALA SEQRES 8 A 153 PRO VAL ARG GLN ASN HIS GLU GLU ILE MET ASP ALA LYS SEQRES 9 A 153 PRO GLU LEU LEU ALA PHE GLN ARG PRO THR ILE PRO ARG SEQRES 10 A 153 ASN PRO LYS GLY PHE GLY TYR VAL THR PHE MET HIS LEU SEQRES 11 A 153 GLU ALA LEU ARG GLN ARG THR PHE ILE LYS ASP ASP THR SEQRES 12 A 153 LEU LEU VAL ARG CYS GLU VAL SER THR LEU HET SER A 217 163 ATOM 1 N ASN A 350 -5.267 17.169 -0.629 1.00 67.41 N ATOM 2 CA ASN A 350 -5.036 17.694 -1.971 1.00 71.28 C ATOM 3 C ASN A 350 -4.250 19.013 -1.968 1.00 68.96 C ATOM 4 O ASN A 350 -4.826 20.097 -2.125 1.00 72.04 O ATOM 5 CB ASN A 350 -6.365 17.893 -2.710 1.00 67.97 C ATOM 6 CG ASN A 350 -6.183 17.929 -4.220 1.00 67.85 C ATOM 7 OD1 ASN A 350 -5.490 18.801 -4.754 1.00 66.99 O ATOM 8 ND2 ASN A 350 -6.792 16.971 -4.914 1.00 68.08 N ATOM 9 HD22 ASN A 350 -7.366 16.257 -4.422 1.00 0.00 H ATOM 10 HD21 ASN A 350 -6.694 16.936 -5.949 1.00 0.00 H ATOM 11 HN3 ASN A 350 -5.811 17.862 -0.076 1.00 0.00 H ATOM 12 HN2 ASN A 350 -4.353 16.993 -0.165 1.00 0.00 H ATOM 13 HN1 ASN A 350 -5.801 16.279 -0.693 1.00 0.00 H ATOM 14 N GLY A 351 -2.930 18.909 -1.821 1.00 55.21 N ATOM 15 CA GLY A 351 -2.086 20.082 -1.692 1.00 53.78 C ATOM 16 C GLY A 351 -1.581 20.625 -3.020 1.00 57.63 C ATOM 17 O GLY A 351 -1.308 19.891 -3.971 1.00 57.00 O ATOM 18 H GLY A 351 -2.494 17.965 -1.798 1.00 0.00 H ATOM 19 N ILE A 352 -1.456 21.944 -3.073 1.00 55.29 N ATOM 20 CA ILE A 352 -0.989 22.648 -4.258 1.00 47.59 C ATOM 21 C ILE A 352 0.159 23.549 -3.840 1.00 45.16 C ATOM 22 O ILE A 352 0.084 24.210 -2.800 1.00 52.39 O ATOM 23 CB ILE A 352 -2.117 23.461 -4.915 1.00 48.51 C ATOM 24 CG1 ILE A 352 -3.380 22.604 -5.044 1.00 58.72 C ATOM 25 CG2 ILE A 352 -1.681 23.991 -6.270 1.00 55.55 C ATOM 26 CD1 ILE A 352 -4.451 22.900 -3.966 1.00 67.07 C ATOM 27 H ILE A 352 -1.703 22.500 -2.230 1.00 0.00 H ATOM 28 N TYR A 353 1.236 23.540 -4.614 1.00 41.12 N ATOM 29 CA TYR A 353 2.371 24.409 -4.346 1.00 40.94 C ATOM 30 C TYR A 353 2.874 25.023 -5.644 1.00 42.74 C ATOM 31 O TYR A 353 3.113 24.314 -6.628 1.00 39.55 O ATOM 32 CB TYR A 353 3.520 23.665 -3.667 1.00 36.46 C ATOM 33 CG TYR A 353 4.655 24.610 -3.354 1.00 40.19 C ATOM 34 CD1 TYR A 353 4.514 25.569 -2.360 1.00 38.92 C ATOM 35 CD2 TYR A 353 5.850 24.576 -4.072 1.00 39.16 C ATOM 36 CE1 TYR A 353 5.528 26.455 -2.068 1.00 41.75 C ATOM 37 CE2 TYR A 353 6.880 25.463 -3.784 1.00 39.88 C ATOM 38 CZ TYR A 353 6.708 26.405 -2.773 1.00 44.40 C ATOM 39 OH TYR A 353 7.702 27.305 -2.443 1.00 42.76 O ATOM 40 HH TYR A 353 7.388 27.886 -1.705 1.00 0.00 H ATOM 41 H TYR A 353 1.270 22.897 -5.431 1.00 0.00 H ATOM 42 N ILE A 354 3.054 26.337 -5.641 1.00 38.74 N ATOM 43 CA ILE A 354 3.619 27.037 -6.781 1.00 38.34 C ATOM 44 C ILE A 354 5.021 27.484 -6.411 1.00 37.88 C ATOM 45 O ILE A 354 5.212 28.253 -5.462 1.00 41.42 O ATOM 46 CB ILE A 354 2.743 28.213 -7.218 1.00 38.44 C ATOM 47 CG1 ILE A 354 1.398 27.666 -7.691 1.00 37.97 C ATOM 48 CG2 ILE A 354 3.459 29.018 -8.301 1.00 43.57 C ATOM 49 CD1 ILE A 354 0.704 28.509 -8.695 1.00 39.55 C ATOM 50 H ILE A 354 2.783 26.882 -4.798 1.00 0.00 H ATOM 51 N TRP A 355 5.995 26.977 -7.145 1.00 37.15 N ATOM 52 CA TRP A 355 7.403 27.248 -6.902 1.00 39.42 C ATOM 53 C TRP A 355 7.807 28.395 -7.817 1.00 41.15 C ATOM 54 O TRP A 355 7.785 28.250 -9.045 1.00 42.87 O ATOM 55 CB TRP A 355 8.215 25.986 -7.173 1.00 36.00 C ATOM 56 CG TRP A 355 9.670 26.101 -6.983 1.00 34.77 C ATOM 57 CD1 TRP A 355 10.348 27.074 -6.304 1.00 34.98 C ATOM 58 CD2 TRP A 355 10.655 25.191 -7.479 1.00 36.66 C ATOM 59 NE1 TRP A 355 11.704 26.815 -6.340 1.00 35.50 N ATOM 60 CE2 TRP A 355 11.915 25.666 -7.060 1.00 35.15 C ATOM 61 CE3 TRP A 355 10.592 24.009 -8.232 1.00 36.05 C ATOM 62 CZ2 TRP A 355 13.099 25.006 -7.375 1.00 33.45 C ATOM 63 CZ3 TRP A 355 11.768 23.352 -8.538 1.00 31.81 C ATOM 64 CH2 TRP A 355 13.005 23.851 -8.110 1.00 34.04 C ATOM 65 HE1 TRP A 355 12.443 27.395 -5.895 1.00 0.00 H ATOM 66 H TRP A 355 5.742 26.352 -7.937 1.00 0.00 H ATOM 67 N LYS A 356 8.153 29.537 -7.227 1.00 38.25 N ATOM 68 CA LYS A 356 8.529 30.716 -7.996 1.00 37.93 C ATOM 69 C LYS A 356 10.045 30.733 -8.131 1.00 41.75 C ATOM 70 O LYS A 356 10.757 31.046 -7.171 1.00 42.31 O ATOM 71 CB LYS A 356 8.022 31.989 -7.327 1.00 39.72 C ATOM 72 CG LYS A 356 6.520 32.072 -7.237 1.00 45.09 C ATOM 73 CD LYS A 356 6.029 33.516 -7.172 1.00 54.96 C ATOM 74 CE LYS A 356 4.540 33.568 -6.783 1.00 67.84 C ATOM 75 NZ LYS A 356 3.916 34.930 -6.896 1.00 76.16 N ATOM 76 HZ1 LYS A 356 4.417 35.592 -6.270 1.00 0.00 H ATOM 77 HZ2 LYS A 356 3.985 35.261 -7.880 1.00 0.00 H ATOM 78 HZ3 LYS A 356 2.916 34.876 -6.616 1.00 0.00 H ATOM 79 H LYS A 356 8.155 29.589 -6.188 1.00 0.00 H ATOM 80 N ILE A 357 10.541 30.382 -9.314 1.00 44.62 N ATOM 81 CA ILE A 357 11.970 30.407 -9.608 1.00 41.59 C ATOM 82 C ILE A 357 12.246 31.718 -10.332 1.00 42.97 C ATOM 83 O ILE A 357 11.957 31.864 -11.522 1.00 47.94 O ATOM 84 CB ILE A 357 12.408 29.204 -10.443 1.00 41.29 C ATOM 85 CG1 ILE A 357 11.915 27.892 -9.824 1.00 34.74 C ATOM 86 CG2 ILE A 357 13.912 29.215 -10.608 1.00 39.26 C ATOM 87 CD1 ILE A 357 12.093 26.699 -10.759 1.00 32.46 C ATOM 88 H ILE A 357 9.884 30.077 -10.060 1.00 0.00 H ATOM 89 N GLY A 358 12.787 32.694 -9.609 1.00 44.92 N ATOM 90 CA GLY A 358 13.121 33.973 -10.186 1.00 43.20 C ATOM 91 C GLY A 358 14.594 34.046 -10.540 1.00 45.14 C ATOM 92 O GLY A 358 15.371 33.122 -10.306 1.00 44.77 O ATOM 93 H GLY A 358 12.975 32.531 -8.599 1.00 0.00 H ATOM 94 N ASN A 359 14.974 35.192 -11.106 1.00 46.22 N ATOM 95 CA ASN A 359 16.340 35.399 -11.580 1.00 47.79 C ATOM 96 C ASN A 359 16.696 34.322 -12.598 1.00 47.99 C ATOM 97 O ASN A 359 17.819 33.816 -12.644 1.00 48.19 O ATOM 98 CB ASN A 359 17.332 35.431 -10.412 1.00 46.19 C ATOM 99 CG ASN A 359 18.660 36.068 -10.782 1.00 57.67 C ATOM 100 OD1 ASN A 359 18.771 36.807 -11.774 1.00 62.37 O ATOM 101 ND2 ASN A 359 19.684 35.798 -9.971 1.00 63.01 N ATOM 102 HD22 ASN A 359 19.547 35.173 -9.151 1.00 0.00 H ATOM 103 HD21 ASN A 359 20.619 36.212 -10.159 1.00 0.00 H ATOM 104 H ASN A 359 14.279 35.959 -11.213 1.00 0.00 H ATOM 105 N PHE A 360 15.710 33.977 -13.428 1.00 45.59 N ATOM 106 CA PHE A 360 15.816 32.792 -14.260 1.00 42.51 C ATOM 107 C PHE A 360 16.786 32.989 -15.417 1.00 43.84 C ATOM 108 O PHE A 360 17.436 32.027 -15.839 1.00 44.48 O ATOM 109 CB PHE A 360 14.435 32.400 -14.776 1.00 44.37 C ATOM 110 CG PHE A 360 14.404 31.052 -15.447 1.00 46.52 C ATOM 111 CD1 PHE A 360 14.383 29.891 -14.694 1.00 46.09 C ATOM 112 CD2 PHE A 360 14.405 30.947 -16.827 1.00 44.62 C ATOM 113 CE1 PHE A 360 14.358 28.659 -15.304 1.00 45.08 C ATOM 114 CE2 PHE A 360 14.379 29.716 -17.441 1.00 46.47 C ATOM 115 CZ PHE A 360 14.360 28.572 -16.679 1.00 46.63 C ATOM 116 H PHE A 360 14.854 34.565 -13.480 1.00 0.00 H ATOM 117 N GLY A 361 16.896 34.210 -15.947 1.00 40.88 N ATOM 118 CA GLY A 361 17.857 34.450 -17.012 1.00 39.47 C ATOM 119 C GLY A 361 19.262 34.047 -16.619 1.00 42.56 C ATOM 120 O GLY A 361 20.016 33.510 -17.433 1.00 44.33 O ATOM 121 H GLY A 361 16.297 34.986 -15.600 1.00 0.00 H ATOM 122 N MET A 362 19.614 34.260 -15.347 1.00 41.33 N ATOM 123 CA MET A 362 20.937 33.908 -14.849 1.00 41.35 C ATOM 124 C MET A 362 21.135 32.394 -14.798 1.00 42.92 C ATOM 125 O MET A 362 22.223 31.889 -15.113 1.00 41.93 O ATOM 126 CB MET A 362 21.130 34.531 -13.469 1.00 42.29 C ATOM 127 CG MET A 362 22.434 34.173 -12.788 1.00 45.33 C ATOM 128 SD MET A 362 22.345 32.647 -11.828 1.00 52.43 S ATOM 129 CE MET A 362 21.630 33.195 -10.276 1.00 41.33 C ATOM 130 H MET A 362 18.925 34.688 -14.696 1.00 0.00 H ATOM 131 N HIS A 363 20.112 31.656 -14.364 1.00 40.38 N ATOM 132 CA HIS A 363 20.205 30.203 -14.392 1.00 41.27 C ATOM 133 C HIS A 363 20.380 29.708 -15.822 1.00 43.97 C ATOM 134 O HIS A 363 21.153 28.775 -16.080 1.00 42.74 O ATOM 135 CB HIS A 363 18.962 29.589 -13.749 1.00 37.04 C ATOM 136 CG HIS A 363 18.822 29.892 -12.288 1.00 41.71 C ATOM 137 ND1 HIS A 363 18.239 31.049 -11.819 1.00 46.31 N ATOM 138 CD2 HIS A 363 19.183 29.185 -11.190 1.00 42.94 C ATOM 139 CE1 HIS A 363 18.252 31.045 -10.497 1.00 44.32 C ATOM 140 NE2 HIS A 363 18.819 29.925 -10.090 1.00 40.53 N ATOM 141 H HIS A 363 19.251 32.117 -14.007 1.00 0.00 H ATOM 142 N LEU A 364 19.681 30.345 -16.768 1.00 43.49 N ATOM 143 CA LEU A 364 19.803 30.005 -18.179 1.00 42.13 C ATOM 144 C LEU A 364 21.190 30.312 -18.712 1.00 42.96 C ATOM 145 O LEU A 364 21.755 29.533 -19.492 1.00 41.26 O ATOM 146 CB LEU A 364 18.773 30.783 -18.976 1.00 46.21 C ATOM 147 CG LEU A 364 17.496 29.990 -19.174 1.00 51.75 C ATOM 148 CD1 LEU A 364 16.440 30.917 -19.737 1.00 46.63 C ATOM 149 CD2 LEU A 364 17.787 28.806 -20.099 1.00 54.35 C ATOM 150 H LEU A 364 19.030 31.106 -16.487 1.00 0.00 H ATOM 151 N LYS A 365 21.734 31.465 -18.333 1.00 39.86 N ATOM 152 CA LYS A 365 23.082 31.807 -18.749 1.00 40.46 C ATOM 153 C LYS A 365 24.087 30.819 -18.178 1.00 43.47 C ATOM 154 O LYS A 365 25.060 30.461 -18.851 1.00 45.24 O ATOM 155 CB LYS A 365 23.395 33.239 -18.330 1.00 40.13 C ATOM 156 CG LYS A 365 24.685 33.767 -18.890 1.00 53.35 C ATOM 157 CD LYS A 365 24.669 35.290 -19.000 1.00 64.33 C ATOM 158 CE LYS A 365 25.515 35.786 -20.185 1.00 69.29 C ATOM 159 NZ LYS A 365 25.797 34.733 -21.221 1.00 65.94 N ATOM 160 HZ1 LYS A 365 26.316 33.946 -20.781 1.00 0.00 H ATOM 161 HZ2 LYS A 365 24.899 34.383 -21.611 1.00 0.00 H ATOM 162 HZ3 LYS A 365 26.371 35.145 -21.985 1.00 0.00 H ATOM 163 H LYS A 365 21.192 32.123 -17.737 1.00 0.00 H ATOM 164 N CYS A 366 23.848 30.340 -16.951 1.00 36.77 N ATOM 165 CA CYS A 366 24.685 29.287 -16.381 1.00 40.06 C ATOM 166 C CYS A 366 24.641 28.029 -17.226 1.00 38.93 C ATOM 167 O CYS A 366 25.682 27.441 -17.539 1.00 38.61 O ATOM 168 CB CYS A 366 24.232 28.945 -14.959 1.00 38.75 C ATOM 169 SG CYS A 366 24.791 30.080 -13.728 1.00 42.43 S ATOM 170 H CYS A 366 23.056 30.723 -16.396 1.00 0.00 H ATOM 171 N GLN A 367 23.432 27.567 -17.547 1.00 36.20 N ATOM 172 CA GLN A 367 23.285 26.368 -18.359 1.00 36.46 C ATOM 173 C GLN A 367 24.002 26.518 -19.693 1.00 41.57 C ATOM 174 O GLN A 367 24.658 25.581 -20.163 1.00 40.15 O ATOM 175 CB GLN A 367 21.803 26.064 -18.574 1.00 35.49 C ATOM 176 CG GLN A 367 21.539 24.761 -19.296 1.00 33.93 C ATOM 177 CD GLN A 367 21.542 24.917 -20.802 1.00 39.12 C ATOM 178 OE1 GLN A 367 21.370 26.019 -21.339 1.00 42.51 O ATOM 179 NE2 GLN A 367 21.746 23.812 -21.498 1.00 40.82 N ATOM 180 HE22 GLN A 367 21.886 22.906 -21.006 1.00 0.00 H ATOM 181 HE21 GLN A 367 21.766 23.848 -22.537 1.00 0.00 H ATOM 182 H GLN A 367 22.585 28.069 -17.213 1.00 0.00 H ATOM 183 N GLU A 368 23.898 27.699 -20.313 1.00 41.94 N ATOM 184 CA GLU A 368 24.547 27.909 -21.602 1.00 46.31 C ATOM 185 C GLU A 368 26.058 27.812 -21.487 1.00 44.28 C ATOM 186 O GLU A 368 26.732 27.437 -22.451 1.00 48.37 O ATOM 187 CB GLU A 368 24.148 29.267 -22.187 1.00 47.14 C ATOM 188 CG GLU A 368 22.755 29.268 -22.794 1.00 53.79 C ATOM 189 CD GLU A 368 22.171 30.668 -22.982 1.00 63.93 C ATOM 190 OE1 GLU A 368 22.565 31.599 -22.235 1.00 57.73 O ATOM 191 OE2 GLU A 368 21.307 30.827 -23.880 1.00 69.17 O ATOM 192 H GLU A 368 23.353 28.469 -19.875 1.00 0.00 H ATOM 193 N GLU A 369 26.610 28.134 -20.329 1.00 41.83 N ATOM 194 CA GLU A 369 28.048 28.057 -20.150 1.00 41.60 C ATOM 195 C GLU A 369 28.489 26.718 -19.612 1.00 42.07 C ATOM 196 O GLU A 369 29.658 26.563 -19.254 1.00 43.63 O ATOM 197 CB GLU A 369 28.514 29.188 -19.252 1.00 42.71 C ATOM 198 CG GLU A 369 28.091 30.514 -19.846 1.00 43.18 C ATOM 199 CD GLU A 369 28.230 31.664 -18.892 1.00 55.74 C ATOM 200 OE1 GLU A 369 27.819 32.782 -19.288 1.00 59.80 O ATOM 201 OE2 GLU A 369 28.750 31.454 -17.764 1.00 51.74 O ATOM 202 H GLU A 369 26.008 28.445 -19.540 1.00 0.00 H ATOM 203 N GLU A 370 27.585 25.745 -19.582 1.00 40.90 N ATOM 204 CA GLU A 370 27.889 24.387 -19.149 1.00 43.95 C ATOM 205 C GLU A 370 28.277 24.327 -17.678 1.00 43.25 C ATOM 206 O GLU A 370 29.090 23.492 -17.276 1.00 43.60 O ATOM 207 CB GLU A 370 28.971 23.765 -20.019 1.00 42.76 C ATOM 208 CG GLU A 370 28.659 23.906 -21.484 1.00 51.68 C ATOM 209 CD GLU A 370 29.674 23.214 -22.352 1.00 56.45 C ATOM 210 OE1 GLU A 370 29.668 23.462 -23.576 1.00 63.02 O ATOM 211 OE2 GLU A 370 30.478 22.426 -21.805 1.00 59.15 O ATOM 212 H GLU A 370 26.613 25.963 -19.882 1.00 0.00 H ATOM 213 N LYS A 371 27.690 25.214 -16.873 1.00 41.20 N ATOM 214 CA LYS A 371 27.738 25.144 -15.424 1.00 41.17 C ATOM 215 C LYS A 371 26.450 24.516 -14.924 1.00 38.84 C ATOM 216 O LYS A 371 25.366 24.995 -15.274 1.00 42.83 O ATOM 217 CB LYS A 371 27.905 26.536 -14.822 1.00 43.21 C ATOM 218 CG LYS A 371 29.074 27.336 -15.366 1.00 41.06 C ATOM 219 CD LYS A 371 28.904 28.806 -15.025 1.00 44.39 C ATOM 220 CE LYS A 371 30.033 29.628 -15.620 1.00 48.90 C ATOM 221 NZ LYS A 371 31.319 28.895 -15.482 1.00 47.21 N ATOM 222 HZ1 LYS A 371 31.512 28.723 -14.475 1.00 0.00 H ATOM 223 HZ2 LYS A 371 31.254 27.986 -15.983 1.00 0.00 H ATOM 224 HZ3 LYS A 371 32.087 29.464 -15.892 1.00 0.00 H ATOM 225 H LYS A 371 27.168 26.001 -17.309 1.00 0.00 H ATOM 226 N PRO A 372 26.507 23.459 -14.125 1.00 35.99 N ATOM 227 CA PRO A 372 25.275 22.756 -13.750 1.00 37.13 C ATOM 228 C PRO A 372 24.314 23.653 -12.984 1.00 37.22 C ATOM 229 O PRO A 372 24.713 24.551 -12.244 1.00 39.57 O ATOM 230 CB PRO A 372 25.770 21.602 -12.870 1.00 36.37 C ATOM 231 CG PRO A 372 27.215 21.497 -13.111 1.00 35.54 C ATOM 232 CD PRO A 372 27.708 22.835 -13.554 1.00 39.37 C ATOM 233 N VAL A 373 23.028 23.398 -13.173 1.00 35.02 N ATOM 234 CA VAL A 373 21.975 24.095 -12.457 1.00 34.84 C ATOM 235 C VAL A 373 21.092 23.018 -11.852 1.00 36.32 C ATOM 236 O VAL A 373 20.405 22.295 -12.583 1.00 35.93 O ATOM 237 CB VAL A 373 21.155 25.024 -13.364 1.00 38.30 C ATOM 238 CG1 VAL A 373 20.103 25.748 -12.549 1.00 33.28 C ATOM 239 CG2 VAL A 373 22.062 26.002 -14.115 1.00 37.02 C ATOM 240 H VAL A 373 22.761 22.668 -13.864 1.00 0.00 H ATOM 241 N VAL A 374 21.141 22.878 -10.529 1.00 34.44 N ATOM 242 CA VAL A 374 20.250 21.989 -9.791 1.00 35.98 C ATOM 243 C VAL A 374 19.675 22.791 -8.637 1.00 34.71 C ATOM 244 O VAL A 374 20.425 23.281 -7.790 1.00 37.81 O ATOM 245 CB VAL A 374 20.968 20.735 -9.266 1.00 36.54 C ATOM 246 CG1 VAL A 374 19.982 19.841 -8.551 1.00 33.78 C ATOM 247 CG2 VAL A 374 21.646 19.986 -10.402 1.00 32.68 C ATOM 248 H VAL A 374 21.846 23.427 -9.997 1.00 0.00 H ATOM 249 N ILE A 375 18.359 22.951 -8.613 1.00 34.63 N ATOM 250 CA ILE A 375 17.713 23.710 -7.557 1.00 34.23 C ATOM 251 C ILE A 375 16.596 22.872 -6.955 1.00 34.43 C ATOM 252 O ILE A 375 16.024 21.994 -7.606 1.00 34.76 O ATOM 253 CB ILE A 375 17.184 25.068 -8.062 1.00 35.65 C ATOM 254 CG1 ILE A 375 16.269 24.871 -9.265 1.00 36.92 C ATOM 255 CG2 ILE A 375 18.342 25.963 -8.445 1.00 34.27 C ATOM 256 CD1 ILE A 375 15.969 26.140 -9.994 1.00 33.68 C ATOM 257 H ILE A 375 17.779 22.525 -9.364 1.00 0.00 H ATOM 258 N HIS A 376 16.313 23.122 -5.685 1.00 38.89 N ATOM 259 CA HIS A 376 15.239 22.441 -4.986 1.00 35.39 C ATOM 260 C HIS A 376 14.215 23.465 -4.539 1.00 34.94 C ATOM 261 O HIS A 376 14.568 24.567 -4.112 1.00 37.15 O ATOM 262 CB HIS A 376 15.742 21.672 -3.778 1.00 33.40 C ATOM 263 CG HIS A 376 16.775 20.643 -4.101 1.00 40.70 C ATOM 264 ND1 HIS A 376 18.075 20.970 -4.425 1.00 40.97 N ATOM 265 CD2 HIS A 376 16.705 19.291 -4.133 1.00 41.49 C ATOM 266 CE1 HIS A 376 18.760 19.863 -4.648 1.00 41.79 C ATOM 267 NE2 HIS A 376 17.952 18.831 -4.473 1.00 42.36 N ATOM 268 H HIS A 376 16.879 23.829 -5.173 1.00 0.00 H ATOM 269 N SER A 377 12.950 23.099 -4.646 1.00 34.77 N ATOM 270 CA SER A 377 11.912 23.929 -4.095 1.00 36.96 C ATOM 271 C SER A 377 11.969 23.871 -2.570 1.00 35.04 C ATOM 272 O SER A 377 12.548 22.951 -1.989 1.00 36.99 O ATOM 273 CB SER A 377 10.549 23.470 -4.608 1.00 35.78 C ATOM 274 OG SER A 377 10.023 22.444 -3.790 1.00 40.51 O ATOM 275 HG SER A 377 9.919 22.782 -2.865 1.00 0.00 H ATOM 276 H SER A 377 12.705 22.211 -5.128 1.00 0.00 H ATOM 277 N PRO A 378 11.395 24.851 -1.894 1.00 40.56 N ATOM 278 CA PRO A 378 11.155 24.675 -0.457 1.00 39.23 C ATOM 279 C PRO A 378 10.230 23.487 -0.245 1.00 37.38 C ATOM 280 O PRO A 378 9.454 23.115 -1.129 1.00 38.45 O ATOM 281 CB PRO A 378 10.495 25.991 -0.030 1.00 36.13 C ATOM 282 CG PRO A 378 10.730 26.951 -1.173 1.00 39.96 C ATOM 283 CD PRO A 378 10.867 26.126 -2.410 1.00 37.34 C ATOM 284 N GLY A 379 10.341 22.866 0.924 1.00 37.62 N ATOM 285 CA GLY A 379 9.440 21.777 1.256 1.00 36.01 C ATOM 286 C GLY A 379 8.025 22.287 1.466 1.00 36.84 C ATOM 287 O GLY A 379 7.804 23.368 2.014 1.00 39.77 O ATOM 288 H GLY A 379 11.073 23.160 1.601 1.00 0.00 H ATOM 289 N PHE A 380 7.054 21.499 1.016 1.00 35.50 N ATOM 290 CA PHE A 380 5.649 21.826 1.215 1.00 36.74 C ATOM 291 C PHE A 380 4.909 20.569 1.651 1.00 40.36 C ATOM 292 O PHE A 380 5.345 19.446 1.388 1.00 40.69 O ATOM 293 CB PHE A 380 5.005 22.426 -0.056 1.00 36.54 C ATOM 294 CG PHE A 380 5.219 21.605 -1.292 1.00 38.24 C ATOM 295 CD1 PHE A 380 6.401 21.702 -2.009 1.00 37.56 C ATOM 296 CD2 PHE A 380 4.239 20.734 -1.736 1.00 37.90 C ATOM 297 CE1 PHE A 380 6.606 20.936 -3.135 1.00 38.40 C ATOM 298 CE2 PHE A 380 4.436 19.959 -2.861 1.00 39.46 C ATOM 299 CZ PHE A 380 5.623 20.063 -3.564 1.00 39.13 C ATOM 300 H PHE A 380 7.304 20.626 0.509 1.00 0.00 H ATOM 301 N TYR A 381 3.775 20.772 2.321 1.00 40.56 N ATOM 302 CA TYR A 381 2.993 19.694 2.907 1.00 38.29 C ATOM 303 C TYR A 381 1.714 19.477 2.104 1.00 36.43 C ATOM 304 O TYR A 381 1.067 20.435 1.683 1.00 41.77 O ATOM 305 CB TYR A 381 2.648 20.007 4.376 1.00 37.10 C ATOM 306 CG TYR A 381 3.760 19.725 5.368 1.00 39.50 C ATOM 307 CD1 TYR A 381 4.784 20.645 5.588 1.00 35.93 C ATOM 308 CD2 TYR A 381 3.783 18.529 6.100 1.00 40.26 C ATOM 309 CE1 TYR A 381 5.807 20.373 6.493 1.00 33.61 C ATOM 310 CE2 TYR A 381 4.793 18.255 7.004 1.00 32.26 C ATOM 311 CZ TYR A 381 5.801 19.175 7.195 1.00 37.47 C ATOM 312 OH TYR A 381 6.808 18.896 8.105 1.00 48.36 O ATOM 313 HH TYR A 381 7.450 19.649 8.126 1.00 0.00 H ATOM 314 H TYR A 381 3.433 21.748 2.430 1.00 0.00 H ATOM 315 N THR A 382 1.340 18.216 1.900 1.00 35.76 N ATOM 316 CA THR A 382 0.078 17.926 1.229 1.00 36.76 C ATOM 317 C THR A 382 -1.118 18.316 2.075 1.00 39.01 C ATOM 318 O THR A 382 -2.237 18.418 1.562 1.00 47.54 O ATOM 319 CB THR A 382 0.014 16.447 0.893 1.00 37.73 C ATOM 320 OG1 THR A 382 0.040 15.685 2.111 1.00 37.78 O ATOM 321 CG2 THR A 382 1.215 16.084 0.047 1.00 38.27 C ATOM 322 HG1 THR A 382 -0.738 15.933 2.671 1.00 0.00 H ATOM 323 H THR A 382 1.949 17.436 2.220 1.00 0.00 H ATOM 324 N GLY A 383 -0.887 18.527 3.358 1.00 40.85 N ATOM 325 CA GLY A 383 -1.909 18.887 4.319 1.00 36.80 C ATOM 326 C GLY A 383 -1.221 18.995 5.658 1.00 38.38 C ATOM 327 O GLY A 383 -0.027 18.705 5.786 1.00 41.45 O ATOM 328 H GLY A 383 0.090 18.428 3.700 1.00 0.00 H ATOM 329 N LYS A 384 -1.985 19.429 6.659 1.00 40.20 N ATOM 330 CA LYS A 384 -1.525 19.493 8.048 1.00 35.81 C ATOM 331 C LYS A 384 -2.585 18.786 8.876 1.00 34.40 C ATOM 332 O LYS A 384 -3.608 19.382 9.237 1.00 34.66 O ATOM 333 CB LYS A 384 -1.318 20.933 8.507 1.00 38.42 C ATOM 334 CG LYS A 384 -0.126 21.619 7.876 1.00 40.00 C ATOM 335 CD LYS A 384 -0.263 23.139 7.946 1.00 45.88 C ATOM 336 CE LYS A 384 1.074 23.817 8.309 1.00 58.25 C ATOM 337 NZ LYS A 384 2.202 23.432 7.406 1.00 48.07 N ATOM 338 HZ1 LYS A 384 2.350 22.404 7.457 1.00 0.00 H ATOM 339 HZ2 LYS A 384 1.970 23.702 6.429 1.00 0.00 H ATOM 340 HZ3 LYS A 384 3.068 23.923 7.707 1.00 0.00 H ATOM 341 H LYS A 384 -2.955 19.737 6.444 1.00 0.00 H ATOM 342 N PRO A 385 -2.406 17.494 9.157 1.00 34.53 N ATOM 343 CA PRO A 385 -1.312 16.579 8.806 1.00 37.42 C ATOM 344 C PRO A 385 -1.246 16.170 7.322 1.00 36.15 C ATOM 345 O PRO A 385 -2.250 16.213 6.610 1.00 35.34 O ATOM 346 CB PRO A 385 -1.617 15.360 9.678 1.00 37.12 C ATOM 347 CG PRO A 385 -3.086 15.346 9.771 1.00 33.57 C ATOM 348 CD PRO A 385 -3.502 16.792 9.837 1.00 34.25 C ATOM 349 N GLY A 386 -0.060 15.763 6.883 1.00 39.03 N ATOM 350 CA GLY A 386 0.174 15.397 5.499 1.00 34.76 C ATOM 351 C GLY A 386 1.652 15.153 5.259 1.00 39.03 C ATOM 352 O GLY A 386 2.493 15.316 6.149 1.00 37.11 O ATOM 353 H GLY A 386 0.730 15.705 7.557 1.00 0.00 H ATOM 354 N TYR A 387 1.962 14.768 4.025 1.00 39.42 N ATOM 355 CA TYR A 387 3.338 14.462 3.665 1.00 34.60 C ATOM 356 C TYR A 387 4.094 15.732 3.336 1.00 35.59 C ATOM 357 O TYR A 387 3.515 16.717 2.880 1.00 35.71 O ATOM 358 CB TYR A 387 3.385 13.522 2.466 1.00 38.25 C ATOM 359 CG TYR A 387 2.652 12.233 2.715 1.00 42.29 C ATOM 360 CD1 TYR A 387 3.302 11.152 3.287 1.00 41.29 C ATOM 361 CD2 TYR A 387 1.302 12.103 2.401 1.00 39.19 C ATOM 362 CE1 TYR A 387 2.647 9.978 3.522 1.00 40.38 C ATOM 363 CE2 TYR A 387 0.638 10.925 2.633 1.00 38.05 C ATOM 364 CZ TYR A 387 1.321 9.867 3.197 1.00 40.12 C ATOM 365 OH TYR A 387 0.686 8.677 3.441 1.00 43.13 O ATOM 366 HH TYR A 387 1.327 8.039 3.845 1.00 0.00 H ATOM 367 H TYR A 387 1.212 14.685 3.309 1.00 0.00 H ATOM 368 N LYS A 388 5.400 15.705 3.583 1.00 34.82 N ATOM 369 CA LYS A 388 6.302 16.748 3.123 1.00 34.22 C ATOM 370 C LYS A 388 6.973 16.308 1.830 1.00 38.78 C ATOM 371 O LYS A 388 7.545 15.213 1.763 1.00 38.57 O ATOM 372 CB LYS A 388 7.367 17.063 4.167 1.00 37.85 C ATOM 373 CG LYS A 388 8.013 18.409 3.939 1.00 38.91 C ATOM 374 CD LYS A 388 9.103 18.702 4.948 1.00 35.27 C ATOM 375 CE LYS A 388 9.361 20.189 4.969 1.00 37.70 C ATOM 376 NZ LYS A 388 10.669 20.546 5.563 1.00 42.25 N ATOM 377 HZ1 LYS A 388 10.707 20.206 6.545 1.00 0.00 H ATOM 378 HZ2 LYS A 388 11.431 20.102 5.012 1.00 0.00 H ATOM 379 HZ3 LYS A 388 10.785 21.579 5.548 1.00 0.00 H ATOM 380 H LYS A 388 5.791 14.908 4.125 1.00 0.00 H ATOM 381 N LEU A 389 6.901 17.165 0.809 1.00 41.78 N ATOM 382 CA LEU A 389 7.569 16.951 -0.470 1.00 36.87 C ATOM 383 C LEU A 389 8.317 18.207 -0.894 1.00 36.99 C ATOM 384 O LEU A 389 8.106 19.300 -0.362 1.00 39.08 O ATOM 385 CB LEU A 389 6.577 16.580 -1.564 1.00 35.03 C ATOM 386 CG LEU A 389 5.518 15.560 -1.198 1.00 35.00 C ATOM 387 CD1 LEU A 389 4.330 15.679 -2.126 1.00 35.83 C ATOM 388 CD2 LEU A 389 6.131 14.192 -1.280 1.00 36.91 C ATOM 389 H LEU A 389 6.339 18.031 0.932 1.00 0.00 H ATOM 390 N CYS A 390 9.206 18.037 -1.865 1.00 37.21 N ATOM 391 CA CYS A 390 9.778 19.164 -2.590 1.00 38.71 C ATOM 392 C CYS A 390 9.990 18.741 -4.031 1.00 38.38 C ATOM 393 O CYS A 390 9.845 17.567 -4.379 1.00 38.89 O ATOM 394 CB CYS A 390 11.093 19.643 -1.985 1.00 35.44 C ATOM 395 SG CYS A 390 12.380 18.433 -2.064 1.00 42.29 S ATOM 396 H CYS A 390 9.503 17.072 -2.115 1.00 0.00 H ATOM 397 N MET A 391 10.322 19.708 -4.875 1.00 35.17 N ATOM 398 CA MET A 391 10.685 19.426 -6.252 1.00 32.40 C ATOM 399 C MET A 391 12.176 19.649 -6.426 1.00 33.91 C ATOM 400 O MET A 391 12.794 20.410 -5.676 1.00 33.60 O ATOM 401 CB MET A 391 9.899 20.300 -7.223 1.00 30.37 C ATOM 402 CG MET A 391 8.422 19.975 -7.235 1.00 31.83 C ATOM 403 SD MET A 391 7.464 21.155 -8.192 1.00 41.80 S ATOM 404 CE MET A 391 7.282 22.508 -7.034 1.00 37.63 C ATOM 405 H MET A 391 10.322 20.693 -4.542 1.00 0.00 H ATOM 406 N ARG A 392 12.755 18.935 -7.387 1.00 30.49 N ATOM 407 CA ARG A 392 14.109 19.183 -7.845 1.00 29.73 C ATOM 408 C ARG A 392 14.053 19.486 -9.337 1.00 33.14 C ATOM 409 O ARG A 392 13.367 18.788 -10.097 1.00 29.45 O ATOM 410 CB ARG A 392 15.018 17.988 -7.558 1.00 33.14 C ATOM 411 CG ARG A 392 16.254 17.899 -8.432 1.00 34.33 C ATOM 412 CD ARG A 392 17.272 16.930 -7.853 1.00 35.73 C ATOM 413 NE ARG A 392 16.774 15.558 -7.898 1.00 40.15 N ATOM 414 CZ ARG A 392 17.089 14.651 -8.823 1.00 42.96 C ATOM 415 NH1 ARG A 392 17.934 14.931 -9.809 1.00 40.84 N ATOM 416 NH2 ARG A 392 16.559 13.441 -8.749 1.00 44.13 N ATOM 417 HE ARG A 392 16.119 15.264 -7.146 1.00 0.00 H ATOM 418 HH12 ARG A 392 18.164 14.206 -10.519 1.00 0.00 H ATOM 419 HH11 ARG A 392 18.366 15.875 -9.871 1.00 0.00 H ATOM 420 HH22 ARG A 392 16.797 12.725 -9.464 1.00 0.00 H ATOM 421 HH21 ARG A 392 15.905 13.206 -7.975 1.00 0.00 H ATOM 422 H ARG A 392 12.213 18.165 -7.830 1.00 0.00 H ATOM 423 N LEU A 393 14.757 20.536 -9.745 1.00 33.77 N ATOM 424 CA LEU A 393 14.774 21.001 -11.123 1.00 34.52 C ATOM 425 C LEU A 393 16.210 21.041 -11.629 1.00 35.42 C ATOM 426 O LEU A 393 17.106 21.517 -10.922 1.00 36.37 O ATOM 427 CB LEU A 393 14.131 22.379 -11.240 1.00 31.40 C ATOM 428 CG LEU A 393 14.013 22.873 -12.677 1.00 31.41 C ATOM 429 CD1 LEU A 393 12.706 23.594 -12.884 1.00 31.23 C ATOM 430 CD2 LEU A 393 15.159 23.781 -13.026 1.00 31.04 C ATOM 431 H LEU A 393 15.325 21.052 -9.043 1.00 0.00 H ATOM 432 N HIS A 394 16.423 20.532 -12.844 1.00 33.65 N ATOM 433 CA HIS A 394 17.695 20.617 -13.553 1.00 33.80 C ATOM 434 C HIS A 394 17.533 21.427 -14.823 1.00 35.12 C ATOM 435 O HIS A 394 16.503 21.350 -15.494 1.00 37.58 O ATOM 436 CB HIS A 394 18.211 19.275 -14.026 1.00 35.60 C ATOM 437 CG HIS A 394 18.790 18.427 -12.963 1.00 37.22 C ATOM 438 ND1 HIS A 394 20.040 17.860 -13.079 1.00 40.17 N ATOM 439 CD2 HIS A 394 18.283 18.006 -11.780 1.00 39.06 C ATOM 440 CE1 HIS A 394 20.287 17.141 -11.999 1.00 44.26 C ATOM 441 NE2 HIS A 394 19.242 17.221 -11.191 1.00 42.03 N ATOM 442 H HIS A 394 15.634 20.045 -13.314 1.00 0.00 H ATOM 443 N LEU A 395 18.582 22.127 -15.192 1.00 33.13 N ATOM 444 CA LEU A 395 18.792 22.526 -16.574 1.00 33.85 C ATOM 445 C LEU A 395 19.942 21.656 -17.066 1.00 38.54 C ATOM 446 O LEU A 395 21.106 21.915 -16.742 1.00 39.66 O ATOM 447 CB LEU A 395 19.089 24.010 -16.681 1.00 34.88 C ATOM 448 CG LEU A 395 18.129 24.900 -15.885 1.00 35.04 C ATOM 449 CD1 LEU A 395 18.492 26.354 -16.068 1.00 37.90 C ATOM 450 CD2 LEU A 395 16.699 24.677 -16.299 1.00 36.52 C ATOM 451 H LEU A 395 19.282 22.404 -14.475 1.00 0.00 H ATOM 452 N GLN A 396 19.608 20.594 -17.800 1.00 36.70 N ATOM 453 CA GLN A 396 20.631 19.683 -18.288 1.00 33.85 C ATOM 454 C GLN A 396 21.621 20.423 -19.170 1.00 36.75 C ATOM 455 O GLN A 396 21.250 21.312 -19.938 1.00 35.10 O ATOM 456 CB GLN A 396 19.994 18.543 -19.065 1.00 38.38 C ATOM 457 CG GLN A 396 19.054 17.712 -18.250 1.00 38.68 C ATOM 458 CD GLN A 396 19.780 16.907 -17.177 1.00 44.43 C ATOM 459 OE1 GLN A 396 20.994 16.678 -17.256 1.00 47.36 O ATOM 460 NE2 GLN A 396 19.037 16.475 -16.168 1.00 42.21 N ATOM 461 HE22 GLN A 396 18.020 16.691 -16.142 1.00 0.00 H ATOM 462 HE21 GLN A 396 19.471 15.920 -15.403 1.00 0.00 H ATOM 463 H GLN A 396 18.608 20.416 -18.025 1.00 0.00 H ATOM 464 N LEU A 397 22.894 20.064 -19.047 1.00 37.55 N ATOM 465 CA LEU A 397 23.921 20.784 -19.775 1.00 35.34 C ATOM 466 C LEU A 397 23.828 20.483 -21.270 1.00 39.80 C ATOM 467 O LEU A 397 23.328 19.430 -21.673 1.00 40.76 O ATOM 468 CB LEU A 397 25.295 20.403 -19.251 1.00 38.84 C ATOM 469 CG LEU A 397 25.608 20.931 -17.855 1.00 41.23 C ATOM 470 CD1 LEU A 397 27.064 20.699 -17.522 1.00 38.12 C ATOM 471 CD2 LEU A 397 25.248 22.411 -17.723 1.00 38.15 C ATOM 472 H LEU A 397 23.154 19.268 -18.430 1.00 0.00 H ATOM 473 N PRO A 398 24.301 21.396 -22.119 1.00 41.86 N ATOM 474 CA PRO A 398 24.366 21.081 -23.557 1.00 39.74 C ATOM 475 C PRO A 398 25.193 19.847 -23.855 1.00 41.21 C ATOM 476 O PRO A 398 24.977 19.196 -24.878 1.00 42.41 O ATOM 477 CB PRO A 398 24.999 22.338 -24.168 1.00 36.91 C ATOM 478 CG PRO A 398 24.809 23.406 -23.160 1.00 42.43 C ATOM 479 CD PRO A 398 24.851 22.726 -21.820 1.00 41.59 C ATOM 480 N THR A 399 26.098 19.478 -22.966 1.00 42.28 N ATOM 481 CA THR A 399 26.950 18.318 -23.134 1.00 43.20 C ATOM 482 C THR A 399 26.335 17.026 -22.595 1.00 49.41 C ATOM 483 O THR A 399 27.035 16.013 -22.530 1.00 54.55 O ATOM 484 CB THR A 399 28.273 18.582 -22.425 1.00 45.61 C ATOM 485 OG1 THR A 399 28.014 18.817 -21.038 1.00 49.57 O ATOM 486 CG2 THR A 399 28.915 19.820 -22.981 1.00 45.79 C ATOM 487 HG1 THR A 399 28.868 18.990 -20.569 1.00 0.00 H ATOM 488 H THR A 399 26.204 20.048 -22.103 1.00 0.00 H ATOM 489 N ALA A 400 25.057 17.026 -22.218 1.00 49.48 N ATOM 490 CA ALA A 400 24.503 15.951 -21.385 1.00 45.28 C ATOM 491 C ALA A 400 23.826 14.830 -22.178 1.00 59.28 C ATOM 492 O ALA A 400 22.729 14.391 -21.824 1.00 63.64 O ATOM 493 CB ALA A 400 23.528 16.538 -20.376 1.00 42.99 C ATOM 494 H ALA A 400 24.438 17.805 -22.521 1.00 0.00 H ATOM 495 N GLN A 401 24.464 14.334 -23.234 1.00 62.44 N ATOM 496 CA GLN A 401 24.029 13.095 -23.906 1.00 66.12 C ATOM 497 C GLN A 401 22.589 13.267 -24.391 1.00 65.92 C ATOM 498 O GLN A 401 22.292 14.254 -25.089 1.00 53.91 O ATOM 499 CB GLN A 401 24.261 11.924 -22.950 1.00 62.87 C ATOM 500 CG GLN A 401 25.668 11.342 -22.979 1.00 63.23 C ATOM 501 CD GLN A 401 25.900 10.332 -21.869 1.00 65.76 C ATOM 502 H GLN A 401 25.298 14.837 -23.599 1.00 0.00 H ATOM 503 N ARG A 402 21.664 12.367 -24.033 1.00 65.94 N ATOM 504 CA ARG A 402 20.356 12.344 -24.684 1.00 66.03 C ATOM 505 C ARG A 402 19.470 13.496 -24.229 1.00 64.71 C ATOM 506 O ARG A 402 18.605 13.953 -24.990 1.00 59.63 O ATOM 507 CB ARG A 402 19.657 11.007 -24.416 1.00 65.09 C ATOM 508 H ARG A 402 21.879 11.678 -23.284 1.00 0.00 H ATOM 509 N CYS A 403 19.668 13.984 -23.005 1.00 53.33 N ATOM 510 CA CYS A 403 18.754 14.955 -22.433 1.00 47.45 C ATOM 511 C CYS A 403 19.333 16.362 -22.401 1.00 43.61 C ATOM 512 O CYS A 403 18.822 17.213 -21.668 1.00 40.59 O ATOM 513 CB CYS A 403 18.327 14.504 -21.034 1.00 48.23 C ATOM 514 SG CYS A 403 19.701 14.184 -19.905 1.00 60.16 S ATOM 515 H CYS A 403 20.489 13.665 -22.452 1.00 0.00 H ATOM 516 N ALA A 404 20.371 16.626 -23.192 1.00 45.35 N ATOM 517 CA ALA A 404 20.931 17.969 -23.286 1.00 42.63 C ATOM 518 C ALA A 404 19.842 19.001 -23.545 1.00 39.79 C ATOM 519 O ALA A 404 18.989 18.812 -24.416 1.00 42.40 O ATOM 520 CB ALA A 404 21.982 18.035 -24.399 1.00 37.29 C ATOM 521 H ALA A 404 20.791 15.859 -23.754 1.00 0.00 H ATOM 522 N ASN A 405 19.873 20.082 -22.758 1.00 39.17 N ATOM 523 CA ASN A 405 19.061 21.288 -22.913 1.00 37.49 C ATOM 524 C ASN A 405 17.615 21.086 -22.489 1.00 38.67 C ATOM 525 O ASN A 405 16.717 21.836 -22.911 1.00 36.23 O ATOM 526 CB ASN A 405 19.128 21.821 -24.343 1.00 36.65 C ATOM 527 CG ASN A 405 20.550 21.923 -24.840 1.00 39.32 C ATOM 528 OD1 ASN A 405 21.399 22.556 -24.208 1.00 42.49 O ATOM 529 ND2 ASN A 405 20.827 21.280 -25.960 1.00 33.82 N ATOM 530 HD22 ASN A 405 20.078 20.759 -26.459 1.00 0.00 H ATOM 531 HD21 ASN A 405 21.794 21.295 -26.343 1.00 0.00 H ATOM 532 H ASN A 405 20.539 20.063 -21.959 1.00 0.00 H ATOM 533 N TYR A 406 17.375 20.103 -21.637 1.00 37.85 N ATOM 534 CA TYR A 406 16.056 19.840 -21.096 1.00 35.71 C ATOM 535 C TYR A 406 15.968 20.333 -19.665 1.00 35.09 C ATOM 536 O TYR A 406 16.950 20.307 -18.917 1.00 36.69 O ATOM 537 CB TYR A 406 15.742 18.350 -21.125 1.00 36.01 C ATOM 538 CG TYR A 406 15.103 17.891 -22.391 1.00 36.78 C ATOM 539 CD1 TYR A 406 13.733 18.020 -22.578 1.00 35.91 C ATOM 540 CD2 TYR A 406 15.870 17.330 -23.415 1.00 36.76 C ATOM 541 CE1 TYR A 406 13.135 17.601 -23.760 1.00 41.19 C ATOM 542 CE2 TYR A 406 15.285 16.906 -24.589 1.00 36.82 C ATOM 543 CZ TYR A 406 13.917 17.041 -24.758 1.00 38.93 C ATOM 544 OH TYR A 406 13.323 16.611 -25.916 1.00 41.57 O ATOM 545 HH TYR A 406 13.709 17.101 -26.685 1.00 0.00 H ATOM 546 H TYR A 406 18.165 19.494 -21.343 1.00 0.00 H ATOM 547 N ILE A 407 14.777 20.788 -19.300 1.00 34.83 N ATOM 548 CA ILE A 407 14.414 20.959 -17.902 1.00 35.76 C ATOM 549 C ILE A 407 14.026 19.591 -17.359 1.00 35.88 C ATOM 550 O ILE A 407 13.123 18.942 -17.895 1.00 36.83 O ATOM 551 CB ILE A 407 13.265 21.963 -17.745 1.00 38.56 C ATOM 552 CG1 ILE A 407 13.666 23.331 -18.310 1.00 41.10 C ATOM 553 CG2 ILE A 407 12.841 22.071 -16.285 1.00 32.82 C ATOM 554 CD1 ILE A 407 12.601 24.394 -18.146 1.00 36.84 C ATOM 555 H ILE A 407 14.082 21.030 -20.035 1.00 0.00 H ATOM 556 N SER A 408 14.743 19.133 -16.328 1.00 36.09 N ATOM 557 CA SER A 408 14.355 17.971 -15.541 1.00 34.72 C ATOM 558 C SER A 408 13.614 18.428 -14.294 1.00 36.53 C ATOM 559 O SER A 408 13.995 19.415 -13.655 1.00 34.18 O ATOM 560 CB SER A 408 15.562 17.140 -15.117 1.00 36.88 C ATOM 561 OG SER A 408 16.375 16.812 -16.212 1.00 37.60 O ATOM 562 HG SER A 408 15.849 16.288 -16.867 1.00 0.00 H ATOM 563 H SER A 408 15.621 19.631 -16.076 1.00 0.00 H ATOM 564 N LEU A 409 12.573 17.685 -13.938 1.00 34.50 N ATOM 565 CA LEU A 409 11.688 18.041 -12.839 1.00 29.35 C ATOM 566 C LEU A 409 11.383 16.763 -12.089 1.00 34.93 C ATOM 567 O LEU A 409 10.755 15.868 -12.658 1.00 35.84 O ATOM 568 CB LEU A 409 10.405 18.673 -13.355 1.00 29.72 C ATOM 569 CG LEU A 409 9.497 19.341 -12.339 1.00 33.75 C ATOM 570 CD1 LEU A 409 10.307 20.331 -11.520 1.00 34.05 C ATOM 571 CD2 LEU A 409 8.374 20.041 -13.065 1.00 32.28 C ATOM 572 H LEU A 409 12.382 16.811 -14.468 1.00 0.00 H ATOM 573 N PHE A 410 11.820 16.668 -10.831 1.00 31.09 N ATOM 574 CA PHE A 410 11.502 15.519 -9.999 1.00 32.83 C ATOM 575 C PHE A 410 10.845 15.944 -8.693 1.00 37.43 C ATOM 576 O PHE A 410 11.109 17.026 -8.155 1.00 35.74 O ATOM 577 CB PHE A 410 12.737 14.701 -9.672 1.00 32.65 C ATOM 578 CG PHE A 410 13.506 14.311 -10.857 1.00 33.55 C ATOM 579 CD1 PHE A 410 13.161 13.177 -11.574 1.00 36.89 C ATOM 580 CD2 PHE A 410 14.575 15.084 -11.285 1.00 38.20 C ATOM 581 CE1 PHE A 410 13.869 12.806 -12.702 1.00 36.14 C ATOM 582 CE2 PHE A 410 15.292 14.722 -12.426 1.00 39.12 C ATOM 583 CZ PHE A 410 14.939 13.575 -13.126 1.00 36.98 C ATOM 584 H PHE A 410 12.402 17.434 -10.437 1.00 0.00 H ATOM 585 N VAL A 411 10.005 15.062 -8.181 1.00 33.84 N ATOM 586 CA VAL A 411 9.403 15.224 -6.872 1.00 33.65 C ATOM 587 C VAL A 411 10.159 14.343 -5.887 1.00 36.88 C ATOM 588 O VAL A 411 10.494 13.189 -6.194 1.00 36.50 O ATOM 589 CB VAL A 411 7.907 14.876 -6.916 1.00 37.97 C ATOM 590 CG1 VAL A 411 7.404 14.545 -5.536 1.00 38.19 C ATOM 591 CG2 VAL A 411 7.143 16.030 -7.487 1.00 39.28 C ATOM 592 H VAL A 411 9.766 14.218 -8.739 1.00 0.00 H ATOM 593 N HIS A 412 10.460 14.903 -4.713 1.00 36.47 N ATOM 594 CA HIS A 412 11.197 14.222 -3.659 1.00 35.98 C ATOM 595 C HIS A 412 10.379 14.148 -2.382 1.00 36.04 C ATOM 596 O HIS A 412 9.677 15.091 -2.005 1.00 38.77 O ATOM 597 CB HIS A 412 12.509 14.913 -3.341 1.00 36.58 C ATOM 598 CG HIS A 412 13.585 14.609 -4.315 1.00 38.29 C ATOM 599 ND1 HIS A 412 14.531 13.635 -4.089 1.00 41.80 N ATOM 600 CD2 HIS A 412 13.867 15.141 -5.527 1.00 36.19 C ATOM 601 CE1 HIS A 412 15.354 13.584 -5.122 1.00 44.34 C ATOM 602 NE2 HIS A 412 14.971 14.484 -6.009 1.00 39.02 N ATOM 603 H HIS A 412 10.150 15.881 -4.542 1.00 0.00 H ATOM 604 N THR A 413 10.520 13.034 -1.708 1.00 37.78 N ATOM 605 CA THR A 413 9.898 12.809 -0.427 1.00 37.21 C ATOM 606 C THR A 413 10.832 13.299 0.684 1.00 37.69 C ATOM 607 O THR A 413 12.055 13.146 0.595 1.00 37.77 O ATOM 608 CB THR A 413 9.573 11.320 -0.349 1.00 35.26 C ATOM 609 OG1 THR A 413 8.160 11.156 -0.289 1.00 36.04 O ATOM 610 CG2 THR A 413 10.264 10.623 0.780 1.00 40.14 C ATOM 611 HG1 THR A 413 7.943 10.191 -0.238 1.00 0.00 H ATOM 612 H THR A 413 11.107 12.278 -2.115 1.00 0.00 H ATOM 613 N MET A 414 10.257 13.958 1.693 1.00 34.90 N ATOM 614 CA MET A 414 11.023 14.597 2.755 1.00 37.39 C ATOM 615 C MET A 414 10.552 14.136 4.134 1.00 37.95 C ATOM 616 O MET A 414 9.391 13.775 4.322 1.00 37.79 O ATOM 617 CB MET A 414 10.903 16.110 2.674 1.00 35.89 C ATOM 618 CG MET A 414 11.880 16.747 1.726 1.00 42.19 C ATOM 619 SD MET A 414 11.529 18.503 1.467 1.00 49.36 S ATOM 620 CE MET A 414 12.787 19.202 2.546 1.00 35.74 C ATOM 621 H MET A 414 9.219 14.018 1.722 1.00 0.00 H ATOM 622 N GLN A 415 11.461 14.155 5.106 1.00 35.25 N ATOM 623 CA GLN A 415 11.051 13.947 6.492 1.00 45.52 C ATOM 624 C GLN A 415 10.130 15.071 6.955 1.00 41.40 C ATOM 625 O GLN A 415 10.481 16.250 6.868 1.00 43.74 O ATOM 626 CB GLN A 415 12.267 13.871 7.401 1.00 39.21 C ATOM 627 CG GLN A 415 12.881 12.521 7.432 1.00 46.69 C ATOM 628 CD GLN A 415 14.006 12.443 8.426 1.00 53.58 C ATOM 629 OE1 GLN A 415 14.501 13.467 8.897 1.00 56.58 O ATOM 630 NE2 GLN A 415 14.420 11.226 8.759 1.00 56.17 N ATOM 631 HE22 GLN A 415 13.971 10.390 8.334 1.00 0.00 H ATOM 632 HE21 GLN A 415 15.193 11.109 9.444 1.00 0.00 H ATOM 633 H GLN A 415 12.463 14.318 4.879 1.00 0.00 H ATOM 634 N GLY A 416 8.947 14.702 7.447 1.00 37.64 N ATOM 635 CA GLY A 416 7.946 15.676 7.813 1.00 39.90 C ATOM 636 C GLY A 416 7.464 15.473 9.239 1.00 43.39 C ATOM 637 O GLY A 416 7.586 14.394 9.818 1.00 43.73 O ATOM 638 H GLY A 416 8.741 13.690 7.570 1.00 0.00 H ATOM 639 N GLU A 417 6.904 16.547 9.791 1.00 43.68 N ATOM 640 CA GLU A 417 6.432 16.518 11.170 1.00 41.03 C ATOM 641 C GLU A 417 5.396 15.436 11.419 1.00 38.48 C ATOM 642 O GLU A 417 5.213 15.037 12.565 1.00 39.61 O ATOM 643 CB GLU A 417 5.844 17.874 11.546 1.00 47.26 C ATOM 644 CG GLU A 417 6.801 18.768 12.338 1.00 60.37 C ATOM 645 CD GLU A 417 6.124 20.046 12.828 1.00 76.66 C ATOM 646 OE1 GLU A 417 6.024 20.233 14.068 1.00 71.12 O ATOM 647 OE2 GLU A 417 5.684 20.855 11.966 1.00 80.67 O ATOM 648 H GLU A 417 6.802 17.418 9.232 1.00 0.00 H ATOM 649 N TYR A 418 4.727 14.943 10.383 1.00 39.76 N ATOM 650 CA TYR A 418 3.611 14.028 10.547 1.00 38.27 C ATOM 651 C TYR A 418 3.952 12.595 10.185 1.00 41.60 C ATOM 652 O TYR A 418 3.046 11.754 10.157 1.00 43.04 O ATOM 653 CB TYR A 418 2.427 14.497 9.705 1.00 35.60 C ATOM 654 CG TYR A 418 2.051 15.912 10.008 1.00 39.76 C ATOM 655 CD1 TYR A 418 1.290 16.224 11.135 1.00 36.76 C ATOM 656 CD2 TYR A 418 2.478 16.945 9.193 1.00 36.13 C ATOM 657 CE1 TYR A 418 0.943 17.529 11.415 1.00 35.54 C ATOM 658 CE2 TYR A 418 2.151 18.245 9.470 1.00 38.65 C ATOM 659 CZ TYR A 418 1.387 18.540 10.584 1.00 38.79 C ATOM 660 OH TYR A 418 1.066 19.855 10.845 1.00 37.81 O ATOM 661 HH TYR A 418 1.897 20.378 10.968 1.00 0.00 H ATOM 662 H TYR A 418 5.012 15.221 9.422 1.00 0.00 H ATOM 663 N ASP A 419 5.229 12.291 9.926 1.00 39.71 N ATOM 664 CA ASP A 419 5.577 11.043 9.246 1.00 40.02 C ATOM 665 C ASP A 419 5.099 9.818 10.022 1.00 42.14 C ATOM 666 O ASP A 419 4.623 8.843 9.426 1.00 42.11 O ATOM 667 CB ASP A 419 7.085 10.972 9.013 1.00 40.64 C ATOM 668 CG ASP A 419 7.537 11.711 7.753 1.00 44.75 C ATOM 669 OD1 ASP A 419 6.715 12.409 7.108 1.00 42.06 O ATOM 670 OD2 ASP A 419 8.746 11.599 7.421 1.00 47.40 O ATOM 671 H ASP A 419 5.982 12.949 10.211 1.00 0.00 H ATOM 672 N SER A 420 5.193 9.852 11.354 1.00 44.22 N ATOM 673 CA SER A 420 4.836 8.672 12.139 1.00 47.75 C ATOM 674 C SER A 420 3.333 8.430 12.202 1.00 46.39 C ATOM 675 O SER A 420 2.918 7.323 12.562 1.00 49.72 O ATOM 676 CB SER A 420 5.400 8.789 13.546 1.00 43.60 C ATOM 677 OG SER A 420 5.344 10.137 13.963 1.00 56.31 O ATOM 678 HG SER A 420 5.879 10.695 13.344 1.00 0.00 H ATOM 679 H SER A 420 5.520 10.716 11.831 1.00 0.00 H ATOM 680 N HIS A 421 2.515 9.424 11.853 1.00 43.18 N ATOM 681 CA HIS A 421 1.068 9.276 11.821 1.00 39.48 C ATOM 682 C HIS A 421 0.525 8.955 10.442 1.00 45.13 C ATOM 683 O HIS A 421 -0.684 8.719 10.308 1.00 44.78 O ATOM 684 CB HIS A 421 0.394 10.553 12.317 1.00 44.37 C ATOM 685 CG HIS A 421 0.829 10.969 13.685 1.00 48.55 C ATOM 686 ND1 HIS A 421 0.180 10.555 14.827 1.00 46.44 N ATOM 687 CD2 HIS A 421 1.849 11.760 14.094 1.00 49.56 C ATOM 688 CE1 HIS A 421 0.782 11.074 15.882 1.00 51.67 C ATOM 689 NE2 HIS A 421 1.797 11.809 15.465 1.00 51.67 N ATOM 690 H HIS A 421 2.928 10.342 11.593 1.00 0.00 H ATOM 691 N LEU A 422 1.366 8.963 9.425 1.00 43.59 N ATOM 692 CA LEU A 422 0.873 8.831 8.072 1.00 43.14 C ATOM 693 C LEU A 422 1.072 7.411 7.574 1.00 42.06 C ATOM 694 O LEU A 422 1.931 6.679 8.070 1.00 47.09 O ATOM 695 CB LEU A 422 1.601 9.814 7.152 1.00 46.59 C ATOM 696 CG LEU A 422 1.352 11.308 7.349 1.00 42.46 C ATOM 697 CD1 LEU A 422 2.501 12.105 6.746 1.00 42.84 C ATOM 698 CD2 LEU A 422 0.055 11.704 6.687 1.00 46.05 C ATOM 699 H LEU A 422 2.387 9.065 9.597 1.00 0.00 H ATOM 700 N PRO A 423 0.279 6.976 6.604 1.00 43.06 N ATOM 701 CA PRO A 423 0.520 5.666 5.988 1.00 48.22 C ATOM 702 C PRO A 423 1.675 5.709 4.998 1.00 45.63 C ATOM 703 O PRO A 423 1.831 6.661 4.228 1.00 43.00 O ATOM 704 CB PRO A 423 -0.809 5.356 5.278 1.00 40.49 C ATOM 705 CG PRO A 423 -1.425 6.669 5.044 1.00 40.09 C ATOM 706 CD PRO A 423 -1.009 7.553 6.193 1.00 45.07 C ATOM 707 N TRP A 424 2.480 4.651 5.024 1.00 44.25 N ATOM 708 CA TRP A 424 3.622 4.481 4.145 1.00 42.19 C ATOM 709 C TRP A 424 3.571 3.106 3.500 1.00 45.46 C ATOM 710 O TRP A 424 3.056 2.155 4.097 1.00 40.37 O ATOM 711 CB TRP A 424 4.939 4.642 4.910 1.00 41.82 C ATOM 712 CG TRP A 424 5.151 6.011 5.413 1.00 42.70 C ATOM 713 CD1 TRP A 424 4.936 6.458 6.680 1.00 40.52 C ATOM 714 CD2 TRP A 424 5.616 7.136 4.663 1.00 41.64 C ATOM 715 NE1 TRP A 424 5.250 7.790 6.772 1.00 40.84 N ATOM 716 CE2 TRP A 424 5.669 8.231 5.545 1.00 42.59 C ATOM 717 CE3 TRP A 424 5.990 7.324 3.334 1.00 44.19 C ATOM 718 CZ2 TRP A 424 6.086 9.493 5.142 1.00 43.46 C ATOM 719 CZ3 TRP A 424 6.409 8.579 2.933 1.00 44.07 C ATOM 720 CH2 TRP A 424 6.452 9.646 3.832 1.00 45.24 C ATOM 721 HE1 TRP A 424 5.181 8.370 7.632 1.00 0.00 H ATOM 722 H TRP A 424 2.279 3.901 5.716 1.00 0.00 H ATOM 723 N PRO A 425 4.089 2.971 2.267 1.00 47.03 N ATOM 724 CA PRO A 425 4.691 4.047 1.472 1.00 43.31 C ATOM 725 C PRO A 425 3.675 5.073 0.969 1.00 47.60 C ATOM 726 O PRO A 425 2.465 4.855 1.066 1.00 45.01 O ATOM 727 CB PRO A 425 5.316 3.294 0.296 1.00 45.97 C ATOM 728 CG PRO A 425 4.503 2.067 0.177 1.00 46.96 C ATOM 729 CD PRO A 425 4.179 1.672 1.579 1.00 46.42 C ATOM 730 N PHE A 426 4.179 6.186 0.444 1.00 46.69 N ATOM 731 CA PHE A 426 3.316 7.218 -0.106 1.00 43.25 C ATOM 732 C PHE A 426 2.610 6.728 -1.364 1.00 45.65 C ATOM 733 O PHE A 426 3.186 6.008 -2.182 1.00 44.62 O ATOM 734 CB PHE A 426 4.128 8.471 -0.436 1.00 43.32 C ATOM 735 CG PHE A 426 3.332 9.529 -1.143 1.00 42.93 C ATOM 736 CD1 PHE A 426 3.213 9.527 -2.530 1.00 39.80 C ATOM 737 CD2 PHE A 426 2.681 10.516 -0.420 1.00 40.39 C ATOM 738 CE1 PHE A 426 2.455 10.488 -3.174 1.00 41.99 C ATOM 739 CE2 PHE A 426 1.931 11.489 -1.068 1.00 42.27 C ATOM 740 CZ PHE A 426 1.821 11.477 -2.445 1.00 40.49 C ATOM 741 H PHE A 426 5.210 6.320 0.427 1.00 0.00 H ATOM 742 N GLN A 427 1.370 7.178 -1.542 1.00 47.33 N ATOM 743 CA GLN A 427 0.540 6.801 -2.674 1.00 45.15 C ATOM 744 C GLN A 427 -0.295 7.995 -3.089 1.00 43.44 C ATOM 745 O GLN A 427 -0.921 8.634 -2.240 1.00 45.35 O ATOM 746 CB GLN A 427 -0.379 5.643 -2.308 1.00 44.08 C ATOM 747 CG GLN A 427 -0.290 4.464 -3.223 1.00 55.04 C ATOM 748 CD GLN A 427 -1.149 3.316 -2.726 1.00 64.78 C ATOM 749 OE1 GLN A 427 -1.648 3.348 -1.596 1.00 64.82 O ATOM 750 NE2 GLN A 427 -1.333 2.298 -3.567 1.00 60.78 N ATOM 751 HE22 GLN A 427 -0.892 2.315 -4.509 1.00 0.00 H ATOM 752 HE21 GLN A 427 -1.917 1.486 -3.281 1.00 0.00 H ATOM 753 H GLN A 427 0.975 7.832 -0.836 1.00 0.00 H ATOM 754 N GLY A 428 -0.327 8.290 -4.382 1.00 46.43 N ATOM 755 CA GLY A 428 -1.189 9.356 -4.844 1.00 45.06 C ATOM 756 C GLY A 428 -0.939 9.703 -6.297 1.00 48.91 C ATOM 757 O GLY A 428 -0.283 8.974 -7.042 1.00 46.98 O ATOM 758 H GLY A 428 0.261 7.760 -5.056 1.00 0.00 H ATOM 759 N THR A 429 -1.491 10.843 -6.679 1.00 49.32 N ATOM 760 CA THR A 429 -1.376 11.342 -8.032 1.00 47.58 C ATOM 761 C THR A 429 -0.787 12.735 -7.970 1.00 49.41 C ATOM 762 O THR A 429 -1.348 13.619 -7.316 1.00 47.01 O ATOM 763 CB THR A 429 -2.733 11.355 -8.719 1.00 51.67 C ATOM 764 OG1 THR A 429 -3.093 10.008 -9.032 1.00 53.92 O ATOM 765 CG2 THR A 429 -2.659 12.156 -10.001 1.00 50.50 C ATOM 766 HG1 THR A 429 -2.412 9.617 -9.634 1.00 0.00 H ATOM 767 H THR A 429 -2.026 11.400 -5.982 1.00 0.00 H ATOM 768 N ILE A 430 0.336 12.929 -8.653 1.00 47.01 N ATOM 769 CA ILE A 430 1.032 14.205 -8.678 1.00 44.45 C ATOM 770 C ILE A 430 0.904 14.807 -10.063 1.00 45.96 C ATOM 771 O ILE A 430 1.127 14.126 -11.073 1.00 49.12 O ATOM 772 CB ILE A 430 2.505 14.047 -8.288 1.00 40.10 C ATOM 773 CG1 ILE A 430 2.578 13.472 -6.880 1.00 42.19 C ATOM 774 CG2 ILE A 430 3.211 15.375 -8.406 1.00 39.42 C ATOM 775 CD1 ILE A 430 3.900 12.843 -6.534 1.00 41.47 C ATOM 776 H ILE A 430 0.734 12.134 -9.193 1.00 0.00 H ATOM 777 N ARG A 431 0.553 16.082 -10.115 1.00 44.86 N ATOM 778 CA ARG A 431 0.531 16.820 -11.361 1.00 41.95 C ATOM 779 C ARG A 431 1.617 17.887 -11.332 1.00 43.66 C ATOM 780 O ARG A 431 1.631 18.733 -10.429 1.00 44.38 O ATOM 781 CB ARG A 431 -0.834 17.445 -11.600 1.00 48.15 C ATOM 782 CG ARG A 431 -0.821 18.238 -12.864 1.00 57.03 C ATOM 783 CD ARG A 431 -2.191 18.315 -13.432 1.00 64.84 C ATOM 784 NE ARG A 431 -2.875 19.508 -12.966 1.00 70.46 N ATOM 785 CZ ARG A 431 -4.189 19.590 -12.821 1.00 80.59 C ATOM 786 NH1 ARG A 431 -4.736 20.723 -12.394 1.00 81.40 N ATOM 787 NH2 ARG A 431 -4.951 18.536 -13.109 1.00 84.23 N ATOM 788 HE ARG A 431 -2.302 20.344 -12.733 1.00 0.00 H ATOM 789 HH12 ARG A 431 -5.767 20.791 -12.279 1.00 0.00 H ATOM 790 HH11 ARG A 431 -4.133 21.541 -12.175 1.00 0.00 H ATOM 791 HH22 ARG A 431 -5.983 18.595 -12.997 1.00 0.00 H ATOM 792 HH21 ARG A 431 -4.514 17.655 -13.446 1.00 0.00 H ATOM 793 H ARG A 431 0.285 16.568 -9.236 1.00 0.00 H ATOM 794 N LEU A 432 2.520 17.835 -12.313 1.00 37.86 N ATOM 795 CA LEU A 432 3.623 18.777 -12.437 1.00 38.95 C ATOM 796 C LEU A 432 3.386 19.676 -13.637 1.00 41.71 C ATOM 797 O LEU A 432 3.204 19.189 -14.753 1.00 43.07 O ATOM 798 CB LEU A 432 4.953 18.046 -12.597 1.00 36.71 C ATOM 799 CG LEU A 432 5.487 17.278 -11.396 1.00 37.51 C ATOM 800 CD1 LEU A 432 6.708 16.500 -11.819 1.00 37.37 C ATOM 801 CD2 LEU A 432 5.810 18.213 -10.248 1.00 34.87 C ATOM 802 H LEU A 432 2.431 17.083 -13.026 1.00 0.00 H ATOM 803 N THR A 433 3.404 20.983 -13.415 1.00 42.35 N ATOM 804 CA THR A 433 3.026 21.918 -14.459 1.00 40.28 C ATOM 805 C THR A 433 4.006 23.070 -14.477 1.00 39.20 C ATOM 806 O THR A 433 4.380 23.578 -13.420 1.00 41.89 O ATOM 807 CB THR A 433 1.613 22.459 -14.240 1.00 44.99 C ATOM 808 OG1 THR A 433 0.690 21.375 -14.139 1.00 47.62 O ATOM 809 CG2 THR A 433 1.205 23.333 -15.404 1.00 46.69 C ATOM 810 HG1 THR A 433 0.942 20.798 -13.375 1.00 0.00 H ATOM 811 H THR A 433 3.692 21.342 -12.483 1.00 0.00 H ATOM 812 N ILE A 434 4.437 23.465 -15.667 1.00 36.95 N ATOM 813 CA ILE A 434 5.113 24.736 -15.856 1.00 39.00 C ATOM 814 C ILE A 434 4.090 25.708 -16.413 1.00 40.67 C ATOM 815 O ILE A 434 3.507 25.473 -17.479 1.00 42.21 O ATOM 816 CB ILE A 434 6.331 24.615 -16.779 1.00 38.58 C ATOM 817 CG1 ILE A 434 7.509 24.067 -15.978 1.00 36.74 C ATOM 818 CG2 ILE A 434 6.662 25.984 -17.369 1.00 34.95 C ATOM 819 CD1 ILE A 434 8.816 24.028 -16.726 1.00 35.77 C ATOM 820 H ILE A 434 4.286 22.846 -16.489 1.00 0.00 H ATOM 821 N LEU A 435 3.894 26.808 -15.703 1.00 40.19 N ATOM 822 CA LEU A 435 2.761 27.677 -15.957 1.00 42.29 C ATOM 823 C LEU A 435 3.032 28.634 -17.103 1.00 42.82 C ATOM 824 O LEU A 435 4.040 29.350 -17.119 1.00 42.77 O ATOM 825 CB LEU A 435 2.390 28.448 -14.693 1.00 41.50 C ATOM 826 CG LEU A 435 1.777 27.448 -13.702 1.00 42.97 C ATOM 827 CD1 LEU A 435 1.493 28.110 -12.367 1.00 44.37 C ATOM 828 CD2 LEU A 435 0.533 26.750 -14.272 1.00 37.92 C ATOM 829 H LEU A 435 4.566 27.054 -14.948 1.00 0.00 H ATOM 830 N ASP A 436 2.106 28.641 -18.054 1.00 44.58 N ATOM 831 CA ASP A 436 2.080 29.614 -19.131 1.00 44.40 C ATOM 832 C ASP A 436 1.529 30.917 -18.568 1.00 48.26 C ATOM 833 O ASP A 436 0.340 31.011 -18.259 1.00 51.10 O ATOM 834 CB ASP A 436 1.227 29.074 -20.271 1.00 45.91 C ATOM 835 CG ASP A 436 1.186 29.994 -21.466 1.00 48.58 C ATOM 836 OD1 ASP A 436 1.844 31.058 -21.455 1.00 49.23 O ATOM 837 OD2 ASP A 436 0.474 29.641 -22.427 1.00 50.12 O ATOM 838 H ASP A 436 1.363 27.914 -18.026 1.00 0.00 H ATOM 839 N GLN A 437 2.392 31.918 -18.425 1.00 50.25 N ATOM 840 CA GLN A 437 2.016 33.181 -17.792 1.00 50.24 C ATOM 841 C GLN A 437 1.459 34.201 -18.775 1.00 59.61 C ATOM 842 O GLN A 437 1.779 35.387 -18.683 1.00 65.82 O ATOM 843 CB GLN A 437 3.213 33.759 -17.051 1.00 44.89 C ATOM 844 CG GLN A 437 3.863 32.811 -16.088 1.00 47.17 C ATOM 845 CD GLN A 437 4.973 33.474 -15.296 1.00 50.08 C ATOM 846 OE1 GLN A 437 4.728 34.400 -14.517 1.00 47.89 O ATOM 847 NE2 GLN A 437 6.206 33.005 -15.493 1.00 45.70 N ATOM 848 HE22 GLN A 437 6.364 32.223 -16.160 1.00 0.00 H ATOM 849 HE21 GLN A 437 7.009 33.422 -14.980 1.00 0.00 H ATOM 850 H GLN A 437 3.364 31.799 -18.774 1.00 0.00 H ATOM 851 N SER A 438 0.634 33.794 -19.726 1.00 61.78 N ATOM 852 CA SER A 438 -0.160 34.739 -20.499 1.00 66.73 C ATOM 853 C SER A 438 -1.618 34.705 -20.033 1.00 75.08 C ATOM 854 O SER A 438 -2.039 33.822 -19.275 1.00 70.36 O ATOM 855 CB SER A 438 -0.051 34.434 -21.994 1.00 61.82 C ATOM 856 OG SER A 438 0.072 33.041 -22.211 1.00 59.51 O ATOM 857 HG SER A 438 0.885 32.708 -21.755 1.00 0.00 H ATOM 858 H SER A 438 0.551 32.777 -19.926 1.00 0.00 H ATOM 859 N GLU A 439 -2.390 35.693 -20.497 1.00 81.33 N ATOM 860 CA GLU A 439 -3.798 35.798 -20.119 1.00 82.58 C ATOM 861 C GLU A 439 -4.590 34.593 -20.625 1.00 81.45 C ATOM 862 O GLU A 439 -4.430 34.163 -21.771 1.00 82.45 O ATOM 863 CB GLU A 439 -4.399 37.097 -20.665 1.00 80.18 C ATOM 864 H GLU A 439 -1.981 36.401 -21.140 1.00 0.00 H ATOM 865 N ALA A 440 -5.481 34.073 -19.760 1.00 81.71 N ATOM 866 CA ALA A 440 -6.213 32.807 -19.884 1.00 80.40 C ATOM 867 C ALA A 440 -6.684 32.429 -21.291 1.00 83.20 C ATOM 868 O ALA A 440 -6.634 31.238 -21.636 1.00 77.47 O ATOM 869 CB ALA A 440 -7.419 32.815 -18.940 1.00 79.04 C ATOM 870 H ALA A 440 -5.673 34.633 -18.905 1.00 0.00 H ATOM 871 N PRO A 441 -7.178 33.370 -22.121 1.00 89.12 N ATOM 872 CA PRO A 441 -7.543 32.988 -23.505 1.00 80.77 C ATOM 873 C PRO A 441 -6.424 32.306 -24.281 1.00 77.86 C ATOM 874 O PRO A 441 -6.642 31.275 -24.932 1.00 78.18 O ATOM 875 CB PRO A 441 -7.936 34.336 -24.143 1.00 82.79 C ATOM 876 CG PRO A 441 -7.475 35.409 -23.181 1.00 82.19 C ATOM 877 CD PRO A 441 -7.596 34.758 -21.839 1.00 85.52 C ATOM 878 N VAL A 442 -5.219 32.853 -24.218 1.00 79.66 N ATOM 879 CA VAL A 442 -4.116 32.362 -25.031 1.00 78.81 C ATOM 880 C VAL A 442 -3.146 31.527 -24.199 1.00 70.85 C ATOM 881 O VAL A 442 -1.930 31.561 -24.434 1.00 68.34 O ATOM 882 CB VAL A 442 -3.389 33.547 -25.690 1.00 79.48 C ATOM 883 CG1 VAL A 442 -4.127 33.986 -26.942 1.00 81.58 C ATOM 884 CG2 VAL A 442 -3.269 34.709 -24.695 1.00 73.76 C ATOM 885 H VAL A 442 -5.057 33.652 -23.572 1.00 0.00 H ATOM 886 N ARG A 443 -3.658 30.760 -23.236 1.00 64.01 N ATOM 887 CA ARG A 443 -2.794 30.083 -22.275 1.00 62.71 C ATOM 888 C ARG A 443 -2.807 28.567 -22.467 1.00 57.21 C ATOM 889 O ARG A 443 -3.873 27.950 -22.568 1.00 56.89 O ATOM 890 CB ARG A 443 -3.183 30.443 -20.843 1.00 62.04 C ATOM 891 CG ARG A 443 -2.564 29.518 -19.830 1.00 60.02 C ATOM 892 CD ARG A 443 -3.349 29.526 -18.541 1.00 72.18 C ATOM 893 NE ARG A 443 -3.284 30.836 -17.905 1.00 80.13 N ATOM 894 CZ ARG A 443 -4.269 31.368 -17.192 1.00 82.17 C ATOM 895 NH1 ARG A 443 -5.408 30.700 -17.030 1.00 82.44 N ATOM 896 NH2 ARG A 443 -4.113 32.571 -16.652 1.00 80.25 N ATOM 897 HE ARG A 443 -2.410 31.389 -18.017 1.00 0.00 H ATOM 898 HH12 ARG A 443 -6.180 31.116 -16.471 1.00 0.00 H ATOM 899 HH11 ARG A 443 -5.526 29.761 -17.462 1.00 0.00 H ATOM 900 HH22 ARG A 443 -4.881 32.993 -16.092 1.00 0.00 H ATOM 901 HH21 ARG A 443 -3.223 33.091 -16.789 1.00 0.00 H ATOM 902 H ARG A 443 -4.689 30.643 -23.169 1.00 0.00 H ATOM 903 N GLN A 444 -1.612 27.977 -22.519 1.00 49.49 N ATOM 904 CA GLN A 444 -1.422 26.528 -22.554 1.00 49.43 C ATOM 905 C GLN A 444 -0.281 26.163 -21.615 1.00 49.71 C ATOM 906 O GLN A 444 0.886 26.431 -21.919 1.00 48.18 O ATOM 907 CB GLN A 444 -1.126 26.060 -23.966 1.00 44.20 C ATOM 908 CG GLN A 444 -1.463 24.629 -24.280 1.00 47.01 C ATOM 909 CD GLN A 444 -0.556 24.060 -25.377 1.00 54.95 C ATOM 910 OE1 GLN A 444 0.673 24.209 -25.339 1.00 61.09 O ATOM 911 NE2 GLN A 444 -1.172 23.480 -26.396 1.00 44.69 N ATOM 912 HE22 GLN A 444 -2.207 23.375 -26.387 1.00 0.00 H ATOM 913 HE21 GLN A 444 -0.621 23.129 -27.205 1.00 0.00 H ATOM 914 H GLN A 444 -0.767 28.583 -22.536 1.00 0.00 H ATOM 915 N ASN A 445 -0.610 25.546 -20.485 1.00 43.80 N ATOM 916 CA ASN A 445 0.425 25.104 -19.570 1.00 43.59 C ATOM 917 C ASN A 445 1.117 23.853 -20.095 1.00 41.64 C ATOM 918 O ASN A 445 0.536 23.049 -20.824 1.00 42.91 O ATOM 919 CB ASN A 445 -0.162 24.830 -18.192 1.00 42.69 C ATOM 920 CG ASN A 445 -0.730 26.066 -17.569 1.00 45.61 C ATOM 921 OD1 ASN A 445 -0.234 27.167 -17.818 1.00 46.07 O ATOM 922 ND2 ASN A 445 -1.768 25.905 -16.746 1.00 45.73 N ATOM 923 HD22 ASN A 445 -2.149 24.954 -16.570 1.00 0.00 H ATOM 924 HD21 ASN A 445 -2.196 26.731 -16.281 1.00 0.00 H ATOM 925 H ASN A 445 -1.611 25.380 -20.256 1.00 0.00 H ATOM 926 N HIS A 446 2.370 23.680 -19.688 1.00 39.59 N ATOM 927 CA HIS A 446 3.144 22.488 -20.018 1.00 39.49 C ATOM 928 C HIS A 446 3.143 21.551 -18.815 1.00 42.23 C ATOM 929 O HIS A 446 3.690 21.892 -17.756 1.00 42.82 O ATOM 930 CB HIS A 446 4.570 22.861 -20.422 1.00 40.67 C ATOM 931 CG HIS A 446 5.368 21.702 -20.917 1.00 41.56 C ATOM 932 ND1 HIS A 446 5.253 21.215 -22.201 1.00 42.44 N ATOM 933 CD2 HIS A 446 6.257 20.903 -20.286 1.00 37.10 C ATOM 934 CE1 HIS A 446 6.054 20.175 -22.342 1.00 38.02 C ATOM 935 NE2 HIS A 446 6.677 19.968 -21.197 1.00 38.96 N ATOM 936 H HIS A 446 2.816 24.422 -19.112 1.00 0.00 H ATOM 937 N GLU A 447 2.559 20.362 -18.982 1.00 41.63 N ATOM 938 CA GLU A 447 2.082 19.611 -17.827 1.00 45.70 C ATOM 939 C GLU A 447 2.220 18.105 -18.030 1.00 44.65 C ATOM 940 O GLU A 447 2.101 17.602 -19.150 1.00 50.26 O ATOM 941 CB GLU A 447 0.626 20.000 -17.562 1.00 47.33 C ATOM 942 CG GLU A 447 -0.059 19.289 -16.431 1.00 57.66 C ATOM 943 CD GLU A 447 -1.543 19.608 -16.418 1.00 72.43 C ATOM 944 OE1 GLU A 447 -1.958 20.506 -15.640 1.00 74.15 O ATOM 945 OE2 GLU A 447 -2.283 18.967 -17.205 1.00 76.18 O ATOM 946 H GLU A 447 2.444 19.970 -19.939 1.00 0.00 H ATOM 947 N GLU A 448 2.483 17.393 -16.930 1.00 43.98 N ATOM 948 CA GLU A 448 2.549 15.934 -16.893 1.00 41.11 C ATOM 949 C GLU A 448 1.841 15.441 -15.642 1.00 44.52 C ATOM 950 O GLU A 448 1.818 16.131 -14.625 1.00 45.96 O ATOM 951 CB GLU A 448 3.986 15.405 -16.866 1.00 38.03 C ATOM 952 CG GLU A 448 4.832 15.768 -18.066 1.00 46.75 C ATOM 953 CD GLU A 448 4.458 14.998 -19.342 1.00 51.47 C ATOM 954 OE1 GLU A 448 3.687 14.010 -19.258 1.00 50.78 O ATOM 955 OE2 GLU A 448 4.947 15.394 -20.426 1.00 50.02 O ATOM 956 H GLU A 448 2.651 17.911 -16.044 1.00 0.00 H ATOM 957 N ILE A 449 1.267 14.241 -15.710 1.00 45.78 N ATOM 958 CA ILE A 449 0.627 13.631 -14.551 1.00 42.97 C ATOM 959 C ILE A 449 1.240 12.265 -14.323 1.00 42.01 C ATOM 960 O ILE A 449 1.257 11.434 -15.233 1.00 44.36 O ATOM 961 CB ILE A 449 -0.894 13.488 -14.711 1.00 47.34 C ATOM 962 CG1 ILE A 449 -1.543 14.850 -14.928 1.00 57.16 C ATOM 963 CG2 ILE A 449 -1.463 12.855 -13.459 1.00 53.46 C ATOM 964 CD1 ILE A 449 -3.060 14.811 -14.892 1.00 68.42 C ATOM 965 H ILE A 449 1.276 13.726 -16.613 1.00 0.00 H ATOM 966 N MET A 450 1.712 12.023 -13.104 1.00 44.45 N ATOM 967 CA MET A 450 2.310 10.751 -12.746 1.00 43.07 C ATOM 968 C MET A 450 1.565 10.121 -11.578 1.00 45.69 C ATOM 969 O MET A 450 0.864 10.789 -10.816 1.00 47.60 O ATOM 970 CB MET A 450 3.789 10.909 -12.396 1.00 43.26 C ATOM 971 CG MET A 450 4.090 11.943 -11.337 1.00 42.69 C ATOM 972 SD MET A 450 5.883 12.181 -11.254 1.00 49.09 S ATOM 973 CE MET A 450 6.043 13.381 -9.933 1.00 45.42 C ATOM 974 H MET A 450 1.650 12.770 -12.383 1.00 0.00 H ATOM 975 N ASP A 451 1.709 8.810 -11.456 1.00 48.68 N ATOM 976 CA ASP A 451 1.140 8.066 -10.344 1.00 51.85 C ATOM 977 C ASP A 451 2.274 7.653 -9.426 1.00 49.74 C ATOM 978 O ASP A 451 3.158 6.888 -9.826 1.00 53.07 O ATOM 979 CB ASP A 451 0.361 6.843 -10.825 1.00 57.77 C ATOM 980 CG ASP A 451 -1.055 7.185 -11.231 1.00 62.35 C ATOM 981 OD1 ASP A 451 -1.631 8.126 -10.640 1.00 58.33 O ATOM 982 OD2 ASP A 451 -1.587 6.522 -12.147 1.00 76.28 O ATOM 983 H ASP A 451 2.248 8.295 -12.181 1.00 0.00 H ATOM 984 N ALA A 452 2.268 8.186 -8.212 1.00 46.77 N ATOM 985 CA ALA A 452 3.237 7.740 -7.229 1.00 50.94 C ATOM 986 C ALA A 452 2.982 6.270 -6.953 1.00 52.09 C ATOM 987 O ALA A 452 2.069 5.928 -6.195 1.00 57.36 O ATOM 988 CB ALA A 452 3.135 8.564 -5.951 1.00 46.30 C ATOM 989 H ALA A 452 1.573 8.919 -7.966 1.00 0.00 H ATOM 990 N LYS A 453 3.746 5.403 -7.583 1.00 49.10 N ATOM 991 CA LYS A 453 3.579 3.983 -7.322 1.00 54.14 C ATOM 992 C LYS A 453 4.258 3.626 -6.001 1.00 52.47 C ATOM 993 O LYS A 453 5.451 3.890 -5.829 1.00 52.41 O ATOM 994 CB LYS A 453 4.156 3.147 -8.462 1.00 64.45 C ATOM 995 CG LYS A 453 3.471 3.306 -9.824 1.00 67.78 C ATOM 996 CD LYS A 453 2.503 2.161 -10.100 1.00 73.36 C ATOM 997 CE LYS A 453 2.503 1.764 -11.585 1.00 79.34 C ATOM 998 NZ LYS A 453 1.717 2.690 -12.461 1.00 81.37 N ATOM 999 HZ1 LYS A 453 0.726 2.705 -12.146 1.00 0.00 H ATOM 1000 HZ2 LYS A 453 2.117 3.648 -12.398 1.00 0.00 H ATOM 1001 HZ3 LYS A 453 1.764 2.357 -13.445 1.00 0.00 H ATOM 1002 H LYS A 453 4.463 5.731 -8.261 1.00 0.00 H ATOM 1003 N PRO A 454 3.539 3.017 -5.059 1.00 49.12 N ATOM 1004 CA PRO A 454 4.101 2.789 -3.726 1.00 47.67 C ATOM 1005 C PRO A 454 5.246 1.797 -3.687 1.00 46.71 C ATOM 1006 O PRO A 454 5.833 1.599 -2.619 1.00 48.59 O ATOM 1007 CB PRO A 454 2.896 2.260 -2.935 1.00 52.86 C ATOM 1008 CG PRO A 454 2.039 1.628 -3.966 1.00 55.58 C ATOM 1009 CD PRO A 454 2.190 2.453 -5.203 1.00 50.07 C ATOM 1010 N GLU A 455 5.600 1.158 -4.787 1.00 48.92 N ATOM 1011 CA GLU A 455 6.730 0.249 -4.723 1.00 48.73 C ATOM 1012 C GLU A 455 8.059 0.912 -5.042 1.00 46.50 C ATOM 1013 O GLU A 455 9.093 0.275 -4.847 1.00 46.39 O ATOM 1014 CB GLU A 455 6.523 -0.933 -5.660 1.00 47.14 C ATOM 1015 CG GLU A 455 6.699 -0.584 -7.100 1.00 48.53 C ATOM 1016 CD GLU A 455 5.373 -0.368 -7.789 1.00 60.48 C ATOM 1017 OE1 GLU A 455 4.451 0.174 -7.133 1.00 62.60 O ATOM 1018 OE2 GLU A 455 5.251 -0.745 -8.978 1.00 63.82 O ATOM 1019 H GLU A 455 5.082 1.302 -5.677 1.00 0.00 H ATOM 1020 N LEU A 456 8.072 2.156 -5.521 1.00 47.88 N ATOM 1021 CA LEU A 456 9.349 2.815 -5.770 1.00 46.65 C ATOM 1022 C LEU A 456 10.049 3.169 -4.464 1.00 46.04 C ATOM 1023 O LEU A 456 9.415 3.523 -3.468 1.00 45.16 O ATOM 1024 CB LEU A 456 9.184 4.098 -6.588 1.00 49.72 C ATOM 1025 CG LEU A 456 8.796 4.171 -8.067 1.00 51.04 C ATOM 1026 CD1 LEU A 456 9.695 3.285 -8.907 1.00 49.13 C ATOM 1027 CD2 LEU A 456 7.325 3.917 -8.309 1.00 52.15 C ATOM 1028 H LEU A 456 7.179 2.652 -5.715 1.00 0.00 H ATOM 1029 N LEU A 457 11.383 3.100 -4.490 1.00 45.04 N ATOM 1030 CA LEU A 457 12.173 3.608 -3.377 1.00 46.37 C ATOM 1031 C LEU A 457 11.825 5.055 -3.061 1.00 45.58 C ATOM 1032 O LEU A 457 11.876 5.476 -1.898 1.00 44.00 O ATOM 1033 CB LEU A 457 13.658 3.482 -3.707 1.00 50.27 C ATOM 1034 CG LEU A 457 14.187 2.051 -3.776 1.00 49.07 C ATOM 1035 CD1 LEU A 457 15.622 2.029 -4.260 1.00 46.56 C ATOM 1036 CD2 LEU A 457 14.080 1.397 -2.411 1.00 40.65 C ATOM 1037 H LEU A 457 11.861 2.680 -5.312 1.00 0.00 H ATOM 1038 N ALA A 458 11.431 5.815 -4.082 1.00 44.95 N ATOM 1039 CA ALA A 458 11.214 7.246 -3.927 1.00 43.99 C ATOM 1040 C ALA A 458 10.068 7.544 -2.974 1.00 41.00 C ATOM 1041 O ALA A 458 10.046 8.607 -2.346 1.00 38.95 O ATOM 1042 CB ALA A 458 10.952 7.876 -5.296 1.00 38.83 C ATOM 1043 H ALA A 458 11.275 5.375 -5.012 1.00 0.00 H ATOM 1044 N PHE A 459 9.113 6.631 -2.846 1.00 43.22 N ATOM 1045 CA PHE A 459 7.938 6.883 -2.028 1.00 41.96 C ATOM 1046 C PHE A 459 7.942 6.111 -0.726 1.00 40.87 C ATOM 1047 O PHE A 459 6.925 6.095 -0.032 1.00 43.77 O ATOM 1048 CB PHE A 459 6.680 6.583 -2.829 1.00 41.77 C ATOM 1049 CG PHE A 459 6.557 7.451 -4.004 1.00 42.91 C ATOM 1050 CD1 PHE A 459 6.307 8.805 -3.838 1.00 41.10 C ATOM 1051 CD2 PHE A 459 6.785 6.956 -5.273 1.00 47.31 C ATOM 1052 CE1 PHE A 459 6.233 9.648 -4.935 1.00 43.98 C ATOM 1053 CE2 PHE A 459 6.709 7.793 -6.384 1.00 47.67 C ATOM 1054 CZ PHE A 459 6.437 9.143 -6.213 1.00 43.13 C ATOM 1055 H PHE A 459 9.207 5.720 -3.339 1.00 0.00 H ATOM 1056 N GLN A 460 9.055 5.482 -0.371 1.00 41.65 N ATOM 1057 CA GLN A 460 9.142 4.917 0.962 1.00 41.13 C ATOM 1058 C GLN A 460 9.394 6.034 1.964 1.00 44.73 C ATOM 1059 O GLN A 460 9.851 7.131 1.615 1.00 42.82 O ATOM 1060 CB GLN A 460 10.246 3.868 1.048 1.00 39.46 C ATOM 1061 CG GLN A 460 10.158 2.795 -0.022 1.00 43.44 C ATOM 1062 CD GLN A 460 8.888 1.994 0.072 1.00 43.65 C ATOM 1063 OE1 GLN A 460 8.533 1.495 1.138 1.00 46.38 O ATOM 1064 NE2 GLN A 460 8.192 1.858 -1.046 1.00 43.86 N ATOM 1065 HE22 GLN A 460 8.530 2.298 -1.926 1.00 0.00 H ATOM 1066 HE21 GLN A 460 7.307 1.311 -1.044 1.00 0.00 H ATOM 1067 H GLN A 460 9.850 5.396 -1.036 1.00 0.00 H ATOM 1068 N ARG A 461 9.072 5.749 3.216 1.00 43.65 N ATOM 1069 CA ARG A 461 9.211 6.740 4.265 1.00 45.45 C ATOM 1070 C ARG A 461 10.655 7.218 4.326 1.00 48.08 C ATOM 1071 O ARG A 461 11.565 6.388 4.476 1.00 47.80 O ATOM 1072 CB ARG A 461 8.792 6.174 5.612 1.00 44.20 C ATOM 1073 CG ARG A 461 8.924 7.194 6.711 1.00 44.40 C ATOM 1074 CD ARG A 461 8.451 6.672 8.037 1.00 41.67 C ATOM 1075 NE ARG A 461 8.817 7.604 9.095 1.00 46.75 N ATOM 1076 CZ ARG A 461 8.294 7.594 10.316 1.00 46.59 C ATOM 1077 NH1 ARG A 461 7.368 6.693 10.630 1.00 46.35 N ATOM 1078 NH2 ARG A 461 8.687 8.492 11.215 1.00 41.59 N ATOM 1079 HE ARG A 461 9.535 8.325 8.880 1.00 0.00 H ATOM 1080 HH12 ARG A 461 6.956 6.682 11.585 1.00 0.00 H ATOM 1081 HH11 ARG A 461 7.056 5.999 9.921 1.00 0.00 H ATOM 1082 HH22 ARG A 461 8.278 8.484 12.171 1.00 0.00 H ATOM 1083 HH21 ARG A 461 9.404 9.202 10.962 1.00 0.00 H ATOM 1084 H ARG A 461 8.714 4.801 3.450 1.00 0.00 H ATOM 1085 N PRO A 462 10.912 8.521 4.196 1.00 49.03 N ATOM 1086 CA PRO A 462 12.297 8.987 4.143 1.00 44.85 C ATOM 1087 C PRO A 462 12.943 8.860 5.506 1.00 48.86 C ATOM 1088 O PRO A 462 12.302 9.057 6.540 1.00 50.52 O ATOM 1089 CB PRO A 462 12.169 10.451 3.706 1.00 41.07 C ATOM 1090 CG PRO A 462 10.823 10.854 4.152 1.00 42.77 C ATOM 1091 CD PRO A 462 9.946 9.635 4.168 1.00 44.72 C ATOM 1092 N THR A 463 14.218 8.487 5.497 1.00 50.49 N ATOM 1093 CA THR A 463 14.993 8.325 6.716 1.00 46.25 C ATOM 1094 C THR A 463 16.061 9.393 6.868 1.00 48.88 C ATOM 1095 O THR A 463 16.805 9.370 7.851 1.00 50.74 O ATOM 1096 CB THR A 463 15.645 6.945 6.742 1.00 45.14 C ATOM 1097 OG1 THR A 463 16.540 6.837 5.635 1.00 43.09 O ATOM 1098 CG2 THR A 463 14.585 5.853 6.639 1.00 41.97 C ATOM 1099 HG1 THR A 463 16.035 6.954 4.791 1.00 0.00 H ATOM 1100 H THR A 463 14.679 8.304 4.583 1.00 0.00 H ATOM 1101 N ILE A 464 16.171 10.307 5.910 1.00 51.10 N ATOM 1102 CA ILE A 464 17.044 11.471 6.010 1.00 47.41 C ATOM 1103 C ILE A 464 16.199 12.664 5.582 1.00 47.23 C ATOM 1104 O ILE A 464 15.055 12.466 5.149 1.00 45.35 O ATOM 1105 CB ILE A 464 18.309 11.300 5.158 1.00 45.73 C ATOM 1106 CG1 ILE A 464 17.941 11.040 3.701 1.00 43.53 C ATOM 1107 CG2 ILE A 464 19.159 10.179 5.710 1.00 44.14 C ATOM 1108 CD1 ILE A 464 19.110 11.181 2.755 1.00 45.53 C ATOM 1109 H ILE A 464 15.606 10.186 5.045 1.00 0.00 H ATOM 1110 N PRO A 465 16.687 13.902 5.718 1.00 47.69 N ATOM 1111 CA PRO A 465 15.839 15.068 5.387 1.00 43.72 C ATOM 1112 C PRO A 465 15.156 15.008 4.034 1.00 40.23 C ATOM 1113 O PRO A 465 13.955 15.286 3.934 1.00 42.43 O ATOM 1114 CB PRO A 465 16.833 16.222 5.480 1.00 40.83 C ATOM 1115 CG PRO A 465 17.720 15.795 6.628 1.00 39.59 C ATOM 1116 CD PRO A 465 17.877 14.301 6.494 1.00 40.43 C ATOM 1117 N ARG A 466 15.877 14.649 2.985 1.00 42.85 N ATOM 1118 CA ARG A 466 15.255 14.460 1.685 1.00 42.25 C ATOM 1119 C ARG A 466 15.674 13.113 1.134 1.00 42.27 C ATOM 1120 O ARG A 466 16.863 12.778 1.142 1.00 44.22 O ATOM 1121 CB ARG A 466 15.626 15.570 0.712 1.00 40.14 C ATOM 1122 CG ARG A 466 14.953 15.429 -0.631 1.00 42.06 C ATOM 1123 CD ARG A 466 15.758 16.138 -1.689 1.00 42.71 C ATOM 1124 NE ARG A 466 16.188 17.433 -1.188 1.00 49.23 N ATOM 1125 CZ ARG A 466 17.446 17.854 -1.180 1.00 47.78 C ATOM 1126 NH1 ARG A 466 17.730 19.051 -0.686 1.00 48.39 N ATOM 1127 NH2 ARG A 466 18.412 17.082 -1.664 1.00 44.68 N ATOM 1128 HE ARG A 466 15.460 18.073 -0.810 1.00 0.00 H ATOM 1129 HH12 ARG A 466 18.713 19.389 -0.676 1.00 0.00 H ATOM 1130 HH11 ARG A 466 16.969 19.652 -0.309 1.00 0.00 H ATOM 1131 HH22 ARG A 466 19.397 17.415 -1.656 1.00 0.00 H ATOM 1132 HH21 ARG A 466 18.183 16.144 -2.051 1.00 0.00 H ATOM 1133 H ARG A 466 16.901 14.500 3.092 1.00 0.00 H ATOM 1134 N ASN A 467 14.696 12.344 0.686 1.00 39.39 N ATOM 1135 CA ASN A 467 14.952 11.086 0.009 1.00 39.25 C ATOM 1136 C ASN A 467 15.741 11.373 -1.264 1.00 46.04 C ATOM 1137 O ASN A 467 15.286 12.175 -2.098 1.00 44.89 O ATOM 1138 CB ASN A 467 13.622 10.406 -0.301 1.00 42.52 C ATOM 1139 CG ASN A 467 13.768 8.948 -0.679 1.00 44.52 C ATOM 1140 OD1 ASN A 467 14.743 8.550 -1.314 1.00 45.84 O ATOM 1141 ND2 ASN A 467 12.775 8.143 -0.312 1.00 43.57 N ATOM 1142 HD22 ASN A 467 11.969 8.523 0.225 1.00 0.00 H ATOM 1143 HD21 ASN A 467 12.804 7.134 -0.562 1.00 0.00 H ATOM 1144 H ASN A 467 13.712 12.650 0.823 1.00 0.00 H ATOM 1145 N PRO A 468 16.926 10.779 -1.446 1.00 49.24 N ATOM 1146 CA PRO A 468 17.705 11.063 -2.660 1.00 44.32 C ATOM 1147 C PRO A 468 17.055 10.529 -3.914 1.00 44.43 C ATOM 1148 O PRO A 468 17.325 11.036 -5.009 1.00 45.95 O ATOM 1149 CB PRO A 468 19.031 10.355 -2.385 1.00 46.64 C ATOM 1150 CG PRO A 468 18.618 9.185 -1.571 1.00 43.92 C ATOM 1151 CD PRO A 468 17.561 9.728 -0.636 1.00 42.27 C ATOM 1152 N LYS A 469 16.222 9.510 -3.793 1.00 42.73 N ATOM 1153 CA LYS A 469 15.517 8.959 -4.936 1.00 44.46 C ATOM 1154 C LYS A 469 14.307 9.834 -5.223 1.00 42.20 C ATOM 1155 O LYS A 469 13.299 9.775 -4.518 1.00 40.31 O ATOM 1156 CB LYS A 469 15.111 7.520 -4.661 1.00 45.91 C ATOM 1157 CG LYS A 469 15.871 6.539 -5.501 1.00 54.61 C ATOM 1158 CD LYS A 469 17.272 6.378 -4.961 1.00 55.37 C ATOM 1159 CE LYS A 469 18.031 5.314 -5.741 1.00 60.82 C ATOM 1160 NZ LYS A 469 19.234 4.900 -4.969 1.00 60.13 N ATOM 1161 HZ1 LYS A 469 19.848 5.725 -4.818 1.00 0.00 H ATOM 1162 HZ2 LYS A 469 18.938 4.513 -4.050 1.00 0.00 H ATOM 1163 HZ3 LYS A 469 19.753 4.173 -5.502 1.00 0.00 H ATOM 1164 H LYS A 469 16.067 9.092 -2.853 1.00 0.00 H ATOM 1165 N GLY A 470 14.405 10.653 -6.266 1.00 40.03 N ATOM 1166 CA GLY A 470 13.262 11.395 -6.741 1.00 33.11 C ATOM 1167 C GLY A 470 12.550 10.660 -7.846 1.00 40.25 C ATOM 1168 O GLY A 470 12.983 9.608 -8.315 1.00 41.78 O ATOM 1169 H GLY A 470 15.321 10.761 -6.747 1.00 0.00 H ATOM 1170 N PHE A 471 11.441 11.245 -8.279 1.00 38.60 N ATOM 1171 CA PHE A 471 10.568 10.606 -9.250 1.00 34.74 C ATOM 1172 C PHE A 471 9.970 11.687 -10.134 1.00 36.54 C ATOM 1173 O PHE A 471 9.312 12.604 -9.639 1.00 37.00 O ATOM 1174 CB PHE A 471 9.481 9.821 -8.530 1.00 38.57 C ATOM 1175 CG PHE A 471 8.613 9.007 -9.428 1.00 40.08 C ATOM 1176 CD1 PHE A 471 9.132 7.927 -10.127 1.00 43.89 C ATOM 1177 CD2 PHE A 471 7.262 9.294 -9.547 1.00 41.32 C ATOM 1178 CE1 PHE A 471 8.317 7.158 -10.943 1.00 43.15 C ATOM 1179 CE2 PHE A 471 6.440 8.522 -10.352 1.00 43.27 C ATOM 1180 CZ PHE A 471 6.969 7.452 -11.048 1.00 38.67 C ATOM 1181 H PHE A 471 11.189 12.186 -7.914 1.00 0.00 H ATOM 1182 N GLY A 472 10.207 11.587 -11.433 1.00 40.06 N ATOM 1183 CA GLY A 472 9.756 12.611 -12.348 1.00 38.51 C ATOM 1184 C GLY A 472 10.255 12.414 -13.764 1.00 40.74 C ATOM 1185 O GLY A 472 10.287 11.290 -14.275 1.00 42.52 O ATOM 1186 H GLY A 472 10.724 10.762 -11.799 1.00 0.00 H ATOM 1187 N TYR A 473 10.666 13.505 -14.401 1.00 37.96 N ATOM 1188 CA TYR A 473 10.912 13.535 -15.835 1.00 35.17 C ATOM 1189 C TYR A 473 12.286 14.127 -16.081 1.00 39.85 C ATOM 1190 O TYR A 473 12.526 15.296 -15.765 1.00 42.90 O ATOM 1191 CB TYR A 473 9.833 14.342 -16.542 1.00 33.32 C ATOM 1192 CG TYR A 473 8.478 13.760 -16.303 1.00 37.79 C ATOM 1193 CD1 TYR A 473 7.971 12.786 -17.144 1.00 40.55 C ATOM 1194 CD2 TYR A 473 7.714 14.152 -15.212 1.00 39.38 C ATOM 1195 CE1 TYR A 473 6.734 12.226 -16.918 1.00 43.14 C ATOM 1196 CE2 TYR A 473 6.472 13.597 -14.981 1.00 39.81 C ATOM 1197 CZ TYR A 473 5.992 12.633 -15.837 1.00 43.01 C ATOM 1198 OH TYR A 473 4.757 12.081 -15.624 1.00 50.21 O ATOM 1199 HH TYR A 473 4.571 11.410 -16.328 1.00 0.00 H ATOM 1200 H TYR A 473 10.818 14.375 -13.851 1.00 0.00 H ATOM 1201 N VAL A 474 13.194 13.318 -16.625 1.00 38.40 N ATOM 1202 CA VAL A 474 14.475 13.863 -17.061 1.00 39.23 C ATOM 1203 C VAL A 474 14.252 14.846 -18.197 1.00 38.26 C ATOM 1204 O VAL A 474 14.839 15.933 -18.231 1.00 38.70 O ATOM 1205 CB VAL A 474 15.433 12.725 -17.469 1.00 40.97 C ATOM 1206 CG1 VAL A 474 16.836 13.278 -17.743 1.00 37.45 C ATOM 1207 CG2 VAL A 474 15.473 11.648 -16.378 1.00 37.12 C ATOM 1208 H VAL A 474 12.991 12.304 -16.738 1.00 0.00 H ATOM 1209 N THR A 475 13.387 14.488 -19.134 1.00 39.15 N ATOM 1210 CA THR A 475 13.126 15.358 -20.266 1.00 41.76 C ATOM 1211 C THR A 475 11.734 15.962 -20.120 1.00 40.47 C ATOM 1212 O THR A 475 10.866 15.749 -20.970 1.00 40.83 O ATOM 1213 CB THR A 475 13.285 14.576 -21.574 1.00 35.78 C ATOM 1214 OG1 THR A 475 12.386 13.468 -21.579 1.00 42.48 O ATOM 1215 CG2 THR A 475 14.690 14.033 -21.680 1.00 29.16 C ATOM 1216 HG1 THR A 475 11.456 13.799 -21.503 1.00 0.00 H ATOM 1217 H THR A 475 12.891 13.577 -19.058 1.00 0.00 H ATOM 1218 N PHE A 476 11.524 16.724 -19.042 1.00 33.81 N ATOM 1219 CA PHE A 476 10.193 17.245 -18.753 1.00 35.24 C ATOM 1220 C PHE A 476 9.778 18.309 -19.763 1.00 34.82 C ATOM 1221 O PHE A 476 8.612 18.362 -20.175 1.00 32.19 O ATOM 1222 CB PHE A 476 10.147 17.805 -17.320 1.00 37.93 C ATOM 1223 CG PHE A 476 8.841 18.484 -16.975 1.00 33.63 C ATOM 1224 CD1 PHE A 476 7.753 17.745 -16.553 1.00 35.57 C ATOM 1225 CD2 PHE A 476 8.696 19.850 -17.117 1.00 33.10 C ATOM 1226 CE1 PHE A 476 6.552 18.355 -16.260 1.00 36.50 C ATOM 1227 CE2 PHE A 476 7.502 20.460 -16.831 1.00 34.31 C ATOM 1228 CZ PHE A 476 6.426 19.711 -16.403 1.00 36.13 C ATOM 1229 H PHE A 476 12.315 16.947 -18.405 1.00 0.00 H ATOM 1230 N MET A 477 10.711 19.178 -20.154 1.00 35.82 N ATOM 1231 CA MET A 477 10.427 20.267 -21.079 1.00 33.85 C ATOM 1232 C MET A 477 11.744 20.725 -21.674 1.00 36.51 C ATOM 1233 O MET A 477 12.698 20.957 -20.929 1.00 39.48 O ATOM 1234 CB MET A 477 9.735 21.439 -20.375 1.00 33.25 C ATOM 1235 CG MET A 477 9.085 22.421 -21.333 1.00 35.73 C ATOM 1236 SD MET A 477 8.501 23.958 -20.575 1.00 44.73 S ATOM 1237 CE MET A 477 7.748 24.727 -21.978 1.00 43.20 C ATOM 1238 H MET A 477 11.678 19.074 -19.785 1.00 0.00 H ATOM 1239 N HIS A 478 11.794 20.866 -23.000 1.00 34.43 N ATOM 1240 CA HIS A 478 12.994 21.376 -23.644 1.00 33.76 C ATOM 1241 C HIS A 478 13.083 22.893 -23.495 1.00 36.16 C ATOM 1242 O HIS A 478 12.070 23.603 -23.559 1.00 33.58 O ATOM 1243 CB HIS A 478 13.029 20.984 -25.122 1.00 37.51 C ATOM 1244 CG HIS A 478 14.385 21.131 -25.740 1.00 35.25 C ATOM 1245 ND1 HIS A 478 14.872 22.342 -26.183 1.00 32.82 N ATOM 1246 CD2 HIS A 478 15.371 20.228 -25.953 1.00 34.08 C ATOM 1247 CE1 HIS A 478 16.096 22.176 -26.652 1.00 33.96 C ATOM 1248 NE2 HIS A 478 16.424 20.904 -26.522 1.00 32.35 N ATOM 1249 H HIS A 478 10.968 20.609 -23.578 1.00 0.00 H ATOM 1250 N LEU A 479 14.314 23.389 -23.291 1.00 32.87 N ATOM 1251 CA LEU A 479 14.503 24.816 -23.055 1.00 33.16 C ATOM 1252 C LEU A 479 14.006 25.653 -24.217 1.00 36.66 C ATOM 1253 O LEU A 479 13.641 26.812 -24.020 1.00 42.86 O ATOM 1254 CB LEU A 479 15.970 25.136 -22.801 1.00 33.01 C ATOM 1255 CG LEU A 479 16.549 24.814 -21.432 1.00 39.69 C ATOM 1256 CD1 LEU A 479 18.047 25.036 -21.486 1.00 39.89 C ATOM 1257 CD2 LEU A 479 15.899 25.643 -20.312 1.00 33.72 C ATOM 1258 H LEU A 479 15.137 22.753 -23.301 1.00 0.00 H ATOM 1259 N GLU A 480 14.009 25.108 -25.431 1.00 34.22 N ATOM 1260 CA GLU A 480 13.535 25.882 -26.570 1.00 39.75 C ATOM 1261 C GLU A 480 12.017 25.973 -26.600 1.00 39.57 C ATOM 1262 O GLU A 480 11.467 26.952 -27.119 1.00 40.06 O ATOM 1263 CB GLU A 480 14.055 25.280 -27.874 1.00 42.72 C ATOM 1264 CG GLU A 480 15.554 25.400 -28.042 1.00 44.63 C ATOM 1265 CD GLU A 480 15.997 26.826 -28.309 1.00 52.08 C ATOM 1266 OE1 GLU A 480 15.770 27.308 -29.447 1.00 55.06 O ATOM 1267 OE2 GLU A 480 16.577 27.454 -27.386 1.00 54.05 O ATOM 1268 H GLU A 480 14.348 24.134 -25.566 1.00 0.00 H ATOM 1269 N ALA A 481 11.327 24.968 -26.060 1.00 39.88 N ATOM 1270 CA ALA A 481 9.882 25.080 -25.893 1.00 42.43 C ATOM 1271 C ALA A 481 9.517 26.288 -25.037 1.00 41.14 C ATOM 1272 O ALA A 481 8.456 26.887 -25.238 1.00 41.50 O ATOM 1273 CB ALA A 481 9.318 23.797 -25.281 1.00 38.85 C ATOM 1274 H ALA A 481 11.819 24.103 -25.758 1.00 0.00 H ATOM 1275 N LEU A 482 10.389 26.661 -24.092 1.00 41.17 N ATOM 1276 CA LEU A 482 10.168 27.841 -23.261 1.00 38.99 C ATOM 1277 C LEU A 482 9.894 29.083 -24.095 1.00 42.33 C ATOM 1278 O LEU A 482 9.051 29.912 -23.734 1.00 44.33 O ATOM 1279 CB LEU A 482 11.385 28.089 -22.375 1.00 36.81 C ATOM 1280 CG LEU A 482 11.464 27.289 -21.087 1.00 43.03 C ATOM 1281 CD1 LEU A 482 12.683 27.724 -20.292 1.00 43.79 C ATOM 1282 CD2 LEU A 482 10.196 27.469 -20.282 1.00 36.98 C ATOM 1283 H LEU A 482 11.248 26.094 -23.946 1.00 0.00 H ATOM 1284 N ARG A 483 10.617 29.247 -25.197 1.00 40.29 N ATOM 1285 CA ARG A 483 10.495 30.437 -26.031 1.00 44.82 C ATOM 1286 C ARG A 483 9.258 30.425 -26.921 1.00 39.33 C ATOM 1287 O ARG A 483 9.012 31.396 -27.634 1.00 39.28 O ATOM 1288 CB ARG A 483 11.759 30.588 -26.881 1.00 46.48 C ATOM 1289 CG ARG A 483 12.984 30.042 -26.170 1.00 50.91 C ATOM 1290 CD ARG A 483 14.255 30.788 -26.520 1.00 56.33 C ATOM 1291 NE ARG A 483 14.484 30.878 -27.954 1.00 53.75 N ATOM 1292 CZ ARG A 483 15.690 30.802 -28.508 1.00 68.00 C ATOM 1293 NH1 ARG A 483 16.756 30.620 -27.729 1.00 65.25 N ATOM 1294 NH2 ARG A 483 15.836 30.902 -29.834 1.00 73.46 N ATOM 1295 HE ARG A 483 13.662 31.008 -28.578 1.00 0.00 H ATOM 1296 HH12 ARG A 483 17.704 30.559 -28.151 1.00 0.00 H ATOM 1297 HH11 ARG A 483 16.639 30.539 -26.699 1.00 0.00 H ATOM 1298 HH22 ARG A 483 16.783 30.841 -30.259 1.00 0.00 H ATOM 1299 HH21 ARG A 483 15.002 31.040 -30.440 1.00 0.00 H ATOM 1300 H ARG A 483 11.290 28.504 -25.473 1.00 0.00 H ATOM 1301 N GLN A 484 8.469 29.373 -26.880 1.00 40.65 N ATOM 1302 CA GLN A 484 7.314 29.243 -27.746 1.00 39.72 C ATOM 1303 C GLN A 484 6.066 29.895 -27.159 1.00 39.44 C ATOM 1304 O GLN A 484 5.164 30.273 -27.913 1.00 40.22 O ATOM 1305 CB GLN A 484 7.092 27.754 -28.016 1.00 40.82 C ATOM 1306 CG GLN A 484 6.623 27.374 -29.397 1.00 46.54 C ATOM 1307 CD GLN A 484 7.389 28.027 -30.517 1.00 42.96 C ATOM 1308 OE1 GLN A 484 8.598 27.851 -30.665 1.00 44.65 O ATOM 1309 NE2 GLN A 484 6.675 28.798 -31.320 1.00 45.85 N ATOM 1310 HE22 GLN A 484 5.655 28.917 -31.155 1.00 0.00 H ATOM 1311 HE21 GLN A 484 7.134 29.286 -32.116 1.00 0.00 H ATOM 1312 H GLN A 484 8.681 28.611 -26.205 1.00 0.00 H ATOM 1313 N ARG A 485 6.001 30.045 -25.837 1.00 41.78 N ATOM 1314 CA ARG A 485 4.949 30.782 -25.147 1.00 40.15 C ATOM 1315 C ARG A 485 5.586 31.596 -24.030 1.00 42.97 C ATOM 1316 O ARG A 485 6.788 31.503 -23.770 1.00 42.92 O ATOM 1317 CB ARG A 485 3.882 29.855 -24.568 1.00 37.53 C ATOM 1318 CG ARG A 485 3.144 29.088 -25.596 1.00 41.23 C ATOM 1319 CD ARG A 485 2.150 28.152 -24.962 1.00 43.03 C ATOM 1320 NE ARG A 485 1.416 27.423 -25.986 1.00 44.66 N ATOM 1321 CZ ARG A 485 0.332 27.887 -26.595 1.00 44.35 C ATOM 1322 NH1 ARG A 485 -0.161 29.074 -26.270 1.00 50.95 N ATOM 1323 NH2 ARG A 485 -0.264 27.160 -27.521 1.00 45.67 N ATOM 1324 HE ARG A 485 1.762 26.481 -26.257 1.00 0.00 H ATOM 1325 HH12 ARG A 485 -1.011 29.433 -26.750 1.00 0.00 H ATOM 1326 HH11 ARG A 485 0.302 29.646 -25.535 1.00 0.00 H ATOM 1327 HH22 ARG A 485 -1.114 27.522 -27.999 1.00 0.00 H ATOM 1328 HH21 ARG A 485 0.116 26.225 -27.772 1.00 0.00 H ATOM 1329 H ARG A 485 6.748 29.609 -25.260 1.00 0.00 H ATOM 1330 N THR A 486 4.772 32.381 -23.335 1.00 43.92 N ATOM 1331 CA THR A 486 5.303 33.259 -22.296 1.00 42.18 C ATOM 1332 C THR A 486 5.351 32.488 -20.978 1.00 46.93 C ATOM 1333 O THR A 486 4.531 32.651 -20.074 1.00 51.07 O ATOM 1334 CB THR A 486 4.476 34.534 -22.220 1.00 51.84 C ATOM 1335 OG1 THR A 486 3.103 34.199 -22.448 1.00 63.79 O ATOM 1336 CG2 THR A 486 4.914 35.524 -23.337 1.00 44.31 C ATOM 1337 HG1 THR A 486 2.552 35.020 -22.401 1.00 0.00 H ATOM 1338 H THR A 486 3.751 32.371 -23.531 1.00 0.00 H ATOM 1339 N PHE A 487 6.333 31.585 -20.903 1.00 46.92 N ATOM 1340 CA PHE A 487 6.540 30.814 -19.685 1.00 40.21 C ATOM 1341 C PHE A 487 7.388 31.577 -18.693 1.00 44.13 C ATOM 1342 O PHE A 487 7.200 31.446 -17.475 1.00 48.94 O ATOM 1343 CB PHE A 487 7.213 29.479 -19.990 1.00 36.65 C ATOM 1344 CG PHE A 487 6.329 28.503 -20.692 1.00 37.91 C ATOM 1345 CD1 PHE A 487 5.249 27.946 -20.048 1.00 37.07 C ATOM 1346 CD2 PHE A 487 6.586 28.134 -22.003 1.00 40.08 C ATOM 1347 CE1 PHE A 487 4.432 27.039 -20.692 1.00 39.81 C ATOM 1348 CE2 PHE A 487 5.760 27.238 -22.660 1.00 42.19 C ATOM 1349 CZ PHE A 487 4.689 26.678 -21.994 1.00 39.35 C ATOM 1350 H PHE A 487 6.955 31.431 -21.722 1.00 0.00 H ATOM 1351 N ILE A 488 8.339 32.347 -19.191 1.00 44.54 N ATOM 1352 CA ILE A 488 9.129 33.239 -18.362 1.00 47.19 C ATOM 1353 C ILE A 488 8.501 34.612 -18.467 1.00 47.47 C ATOM 1354 O ILE A 488 8.363 35.154 -19.567 1.00 51.97 O ATOM 1355 CB ILE A 488 10.599 33.263 -18.794 1.00 39.66 C ATOM 1356 CG1 ILE A 488 11.254 31.956 -18.370 1.00 42.20 C ATOM 1357 CG2 ILE A 488 11.298 34.444 -18.158 1.00 42.45 C ATOM 1358 CD1 ILE A 488 11.966 31.289 -19.455 1.00 38.46 C ATOM 1359 H ILE A 488 8.528 32.313 -20.213 1.00 0.00 H ATOM 1360 N LYS A 489 8.086 35.159 -17.334 1.00 51.32 N ATOM 1361 CA LYS A 489 7.551 36.506 -17.298 1.00 50.49 C ATOM 1362 C LYS A 489 8.168 37.191 -16.098 1.00 49.69 C ATOM 1363 O LYS A 489 8.147 36.642 -14.994 1.00 50.75 O ATOM 1364 CB LYS A 489 6.018 36.516 -17.215 1.00 49.76 C ATOM 1365 CG LYS A 489 5.468 37.848 -16.781 1.00 54.67 C ATOM 1366 CD LYS A 489 3.959 37.877 -16.719 1.00 62.40 C ATOM 1367 CE LYS A 489 3.425 39.095 -17.465 1.00 71.30 C ATOM 1368 NZ LYS A 489 1.974 38.964 -17.793 1.00 83.20 N ATOM 1369 HZ1 LYS A 489 1.830 38.127 -18.394 1.00 0.00 H ATOM 1370 HZ2 LYS A 489 1.429 38.859 -16.913 1.00 0.00 H ATOM 1371 HZ3 LYS A 489 1.656 39.815 -18.299 1.00 0.00 H ATOM 1372 H LYS A 489 8.145 34.611 -16.452 1.00 0.00 H ATOM 1373 N ASP A 490 8.726 38.375 -16.321 1.00 54.29 N ATOM 1374 CA ASP A 490 9.457 39.105 -15.285 1.00 55.77 C ATOM 1375 C ASP A 490 10.531 38.219 -14.667 1.00 51.76 C ATOM 1376 O ASP A 490 10.662 38.119 -13.447 1.00 51.19 O ATOM 1377 CB ASP A 490 8.513 39.656 -14.212 1.00 55.60 C ATOM 1378 CG ASP A 490 7.538 40.676 -14.769 1.00 67.57 C ATOM 1379 OD1 ASP A 490 7.884 41.345 -15.774 1.00 69.64 O ATOM 1380 OD2 ASP A 490 6.419 40.795 -14.215 1.00 71.68 O ATOM 1381 H ASP A 490 8.640 38.799 -17.267 1.00 0.00 H ATOM 1382 N ASP A 491 11.284 37.542 -15.539 1.00 50.72 N ATOM 1383 CA ASP A 491 12.445 36.756 -15.137 1.00 46.96 C ATOM 1384 C ASP A 491 12.070 35.628 -14.176 1.00 44.86 C ATOM 1385 O ASP A 491 12.901 35.166 -13.398 1.00 45.83 O ATOM 1386 CB ASP A 491 13.509 37.662 -14.516 1.00 47.87 C ATOM 1387 CG ASP A 491 14.921 37.192 -14.793 1.00 52.66 C ATOM 1388 OD1 ASP A 491 15.169 36.622 -15.878 1.00 48.75 O ATOM 1389 OD2 ASP A 491 15.788 37.401 -13.912 1.00 55.54 O ATOM 1390 H ASP A 491 11.031 37.577 -16.547 1.00 0.00 H ATOM 1391 N THR A 492 10.826 35.157 -14.222 1.00 43.42 N ATOM 1392 CA THR A 492 10.358 34.164 -13.265 1.00 46.03 C ATOM 1393 C THR A 492 9.645 33.014 -13.960 1.00 43.71 C ATOM 1394 O THR A 492 8.690 33.225 -14.711 1.00 48.20 O ATOM 1395 CB THR A 492 9.419 34.795 -12.235 1.00 46.94 C ATOM 1396 OG1 THR A 492 10.113 35.837 -11.536 1.00 51.13 O ATOM 1397 CG2 THR A 492 8.967 33.747 -11.238 1.00 42.60 C ATOM 1398 HG1 THR A 492 10.408 36.526 -12.182 1.00 0.00 H ATOM 1399 H THR A 492 10.176 35.505 -14.955 1.00 0.00 H ATOM 1400 N LEU A 493 10.099 31.802 -13.682 1.00 40.73 N ATOM 1401 CA LEU A 493 9.381 30.594 -14.045 1.00 38.15 C ATOM 1402 C LEU A 493 8.528 30.150 -12.870 1.00 40.66 C ATOM 1403 O LEU A 493 8.949 30.250 -11.711 1.00 41.39 O ATOM 1404 CB LEU A 493 10.367 29.488 -14.418 1.00 40.40 C ATOM 1405 CG LEU A 493 9.798 28.250 -15.087 1.00 42.39 C ATOM 1406 CD1 LEU A 493 9.517 28.556 -16.552 1.00 40.82 C ATOM 1407 CD2 LEU A 493 10.789 27.125 -14.958 1.00 39.59 C ATOM 1408 H LEU A 493 11.007 31.712 -13.183 1.00 0.00 H ATOM 1409 N LEU A 494 7.332 29.654 -13.167 1.00 38.20 N ATOM 1410 CA LEU A 494 6.416 29.158 -12.145 1.00 36.49 C ATOM 1411 C LEU A 494 6.202 27.670 -12.358 1.00 38.81 C ATOM 1412 O LEU A 494 5.717 27.255 -13.417 1.00 39.63 O ATOM 1413 CB LEU A 494 5.071 29.877 -12.190 1.00 37.93 C ATOM 1414 CG LEU A 494 5.043 31.392 -12.168 1.00 39.79 C ATOM 1415 CD1 LEU A 494 3.648 31.795 -12.541 1.00 41.39 C ATOM 1416 CD2 LEU A 494 5.430 31.930 -10.789 1.00 40.40 C ATOM 1417 H LEU A 494 7.038 29.618 -14.164 1.00 0.00 H ATOM 1418 N VAL A 495 6.540 26.875 -11.351 1.00 35.74 N ATOM 1419 CA VAL A 495 6.384 25.430 -11.410 1.00 39.35 C ATOM 1420 C VAL A 495 5.347 25.055 -10.366 1.00 37.59 C ATOM 1421 O VAL A 495 5.584 25.225 -9.167 1.00 40.17 O ATOM 1422 CB VAL A 495 7.712 24.701 -11.166 1.00 39.34 C ATOM 1423 CG1 VAL A 495 7.505 23.214 -11.217 1.00 40.73 C ATOM 1424 CG2 VAL A 495 8.720 25.112 -12.200 1.00 34.72 C ATOM 1425 H VAL A 495 6.931 27.301 -10.487 1.00 0.00 H ATOM 1426 N ARG A 496 4.198 24.558 -10.813 1.00 37.33 N ATOM 1427 CA ARG A 496 3.119 24.162 -9.921 1.00 38.58 C ATOM 1428 C ARG A 496 3.148 22.656 -9.717 1.00 41.69 C ATOM 1429 O ARG A 496 3.305 21.894 -10.678 1.00 42.32 O ATOM 1430 CB ARG A 496 1.751 24.573 -10.463 1.00 42.63 C ATOM 1431 CG ARG A 496 0.606 23.993 -9.632 1.00 47.67 C ATOM 1432 CD ARG A 496 -0.743 24.642 -9.917 1.00 53.10 C ATOM 1433 NE ARG A 496 -1.552 23.787 -10.782 1.00 66.40 N ATOM 1434 CZ ARG A 496 -1.875 24.081 -12.041 1.00 69.30 C ATOM 1435 NH1 ARG A 496 -1.478 25.222 -12.562 1.00 65.86 N ATOM 1436 NH2 ARG A 496 -2.610 23.252 -12.776 1.00 71.88 N ATOM 1437 HE ARG A 496 -1.899 22.889 -10.389 1.00 0.00 H ATOM 1438 HH12 ARG A 496 -1.726 25.459 -13.544 1.00 0.00 H ATOM 1439 HH11 ARG A 496 -0.917 25.886 -11.992 1.00 0.00 H ATOM 1440 HH22 ARG A 496 -2.851 23.501 -13.757 1.00 0.00 H ATOM 1441 HH21 ARG A 496 -2.944 22.355 -12.370 1.00 0.00 H ATOM 1442 H ARG A 496 4.065 24.448 -11.839 1.00 0.00 H ATOM 1443 N CYS A 497 2.995 22.234 -8.465 1.00 41.08 N ATOM 1444 CA CYS A 497 2.861 20.831 -8.100 1.00 40.68 C ATOM 1445 C CYS A 497 1.538 20.621 -7.377 1.00 45.10 C ATOM 1446 O CYS A 497 1.230 21.329 -6.418 1.00 42.33 O ATOM 1447 CB CYS A 497 4.011 20.373 -7.209 1.00 39.94 C ATOM 1448 SG CYS A 497 3.879 18.639 -6.752 1.00 45.33 S ATOM 1449 H CYS A 497 2.970 22.944 -7.706 1.00 0.00 H ATOM 1450 N GLU A 498 0.761 19.646 -7.833 1.00 49.50 N ATOM 1451 CA GLU A 498 -0.536 19.358 -7.246 1.00 48.50 C ATOM 1452 C GLU A 498 -0.589 17.886 -6.870 1.00 48.41 C ATOM 1453 O GLU A 498 -0.501 17.014 -7.740 1.00 41.37 O ATOM 1454 CB GLU A 498 -1.656 19.716 -8.214 1.00 52.34 C ATOM 1455 CG GLU A 498 -2.998 19.829 -7.544 1.00 63.79 C ATOM 1456 CD GLU A 498 -4.095 20.091 -8.543 1.00 77.92 C ATOM 1457 OE1 GLU A 498 -3.762 20.483 -9.695 1.00 73.10 O ATOM 1458 OE2 GLU A 498 -5.278 19.903 -8.169 1.00 79.17 O ATOM 1459 H GLU A 498 1.091 19.071 -8.635 1.00 0.00 H ATOM 1460 N VAL A 499 -0.734 17.610 -5.576 1.00 51.21 N ATOM 1461 CA VAL A 499 -0.725 16.245 -5.068 1.00 45.85 C ATOM 1462 C VAL A 499 -2.135 15.879 -4.658 1.00 48.88 C ATOM 1463 O VAL A 499 -2.732 16.534 -3.799 1.00 56.76 O ATOM 1464 CB VAL A 499 0.244 16.075 -3.896 1.00 40.59 C ATOM 1465 CG1 VAL A 499 0.346 14.608 -3.531 1.00 44.12 C ATOM 1466 CG2 VAL A 499 1.598 16.617 -4.275 1.00 43.24 C ATOM 1467 H VAL A 499 -0.858 18.395 -4.905 1.00 0.00 H ATOM 1468 N SER A 500 -2.668 14.852 -5.288 1.00 51.12 N ATOM 1469 CA SER A 500 -3.934 14.257 -4.902 1.00 51.04 C ATOM 1470 C SER A 500 -3.588 13.014 -4.098 1.00 52.03 C ATOM 1471 O SER A 500 -2.998 12.070 -4.627 1.00 51.15 O ATOM 1472 CB SER A 500 -4.775 13.928 -6.131 1.00 54.08 C ATOM 1473 OG SER A 500 -5.613 12.820 -5.870 1.00 67.35 O ATOM 1474 HG SER A 500 -5.057 12.034 -5.639 1.00 0.00 H ATOM 1475 H SER A 500 -2.158 14.449 -6.100 1.00 0.00 H ATOM 1476 N THR A 501 -3.906 13.032 -2.807 1.00 65.50 N ATOM 1477 CA THR A 501 -3.507 11.931 -1.940 1.00 61.68 C ATOM 1478 C THR A 501 -4.734 11.413 -1.175 1.00 69.48 C ATOM 1479 O THR A 501 -5.544 10.687 -1.763 1.00 71.75 O ATOM 1480 CB THR A 501 -2.330 12.386 -1.057 1.00 56.18 C ATOM 1481 OG1 THR A 501 -1.880 11.305 -0.236 1.00 59.39 O ATOM 1482 CG2 THR A 501 -2.656 13.654 -0.217 1.00 57.77 C ATOM 1483 HG1 THR A 501 -1.583 10.556 -0.812 1.00 0.00 H ATOM 1484 H THR A 501 -4.441 13.834 -2.415 1.00 0.00 H ATOM 1485 N LEU A 502 -4.903 11.759 0.102 1.00 74.62 N ATOM 1486 CA LEU A 502 -6.161 11.489 0.815 1.00 75.83 C ATOM 1487 C LEU A 502 -6.201 12.180 2.177 1.00 76.56 C ATOM 1488 O LEU A 502 -7.271 12.592 2.646 1.00 79.87 O ATOM 1489 CB LEU A 502 -6.396 9.982 0.996 1.00 75.55 C ATOM 1490 CG LEU A 502 -7.867 9.582 1.202 1.00 79.23 C ATOM 1491 CD1 LEU A 502 -8.817 10.509 0.434 1.00 78.77 C ATOM 1492 CD2 LEU A 502 -8.120 8.128 0.820 1.00 71.03 C ATOM 1493 H LEU A 502 -4.126 12.232 0.606 1.00 0.00 H TER 1494 LEU A 502 HETATM 1495 O HOH 1 5.425 12.231 13.230 1.00 48.49 O HETATM 1496 O HOH 2 -7.293 12.223 5.078 1.00 61.61 O HETATM 1497 O HOH 3 6.579 35.906 -13.194 1.00 53.29 O HETATM 1498 O HOH 4 11.785 10.886 -2.841 1.00 38.08 O HETATM 1499 O HOH 5 2.038 23.907 -23.196 1.00 47.03 O HETATM 1500 O HOH 6 23.319 17.760 -17.245 1.00 36.85 O HETATM 1501 O HOH 7 6.703 13.666 4.459 1.00 38.40 O HETATM 1502 O HOH 8 3.671 35.572 -9.381 1.00 60.18 O HETATM 1503 O HOH 9 13.860 5.164 -0.263 1.00 43.57 O HETATM 1504 O HOH 10 18.559 36.884 -14.380 1.00 47.16 O HETATM 1505 O HOH 11 -4.837 16.642 6.598 1.00 34.25 O HETATM 1506 O HOH 12 -4.555 19.277 6.084 1.00 37.87 O HETATM 1507 O HOH 13 -4.187 24.964 -14.030 1.00 60.00 O HETATM 1508 O HOH 14 1.150 11.886 -17.860 1.00 38.41 O HETATM 1509 O HOH 15 4.067 5.096 13.502 1.00 53.87 O HETATM 1510 O HOH 16 4.189 41.898 -15.230 1.00 72.56 O HETATM 1511 O HOH 17 9.724 19.796 -24.369 1.00 35.68 O HETATM 1512 O HOH 18 -5.861 10.445 -4.591 1.00 58.40 O HETATM 1513 O HOH 19 -2.221 14.543 3.133 1.00 41.86 O HETATM 1514 O HOH 20 7.343 28.895 -0.249 1.00 48.61 O HETATM 1515 O HOH 21 15.635 5.019 3.804 1.00 46.04 O HETATM 1516 O HOH 22 19.839 34.425 -20.012 1.00 42.82 O HETATM 1517 O HOH 23 7.797 3.034 3.306 1.00 48.42 O HETATM 1518 O HOH 24 15.089 15.980 -27.949 1.00 36.98 O HETATM 1519 O HOH 25 4.856 14.764 7.498 1.00 36.11 O HETATM 1520 O HOH 26 22.653 20.800 -14.714 1.00 42.77 O HETATM 1521 O HOH 27 18.920 20.556 -27.897 1.00 35.88 O HETATM 1522 O HOH 28 18.718 14.840 2.847 1.00 53.46 O HETATM 1523 O HOH 29 18.851 16.692 -26.319 1.00 41.71 O HETATM 1524 O HOH 30 10.743 -0.098 -2.524 1.00 47.20 O HETATM 1525 O HOH 31 18.643 29.516 -7.237 1.00 46.10 O HETATM 1526 O HOH 32 0.243 21.252 -11.280 1.00 50.43 O HETATM 1527 O HOH 33 3.691 21.925 10.147 1.00 52.99 O HETATM 1528 O HOH 34 -1.161 37.480 -22.455 1.00 65.89 O HETATM 1529 O HOH 35 13.737 6.162 2.534 1.00 42.94 O HETATM 1530 O HOH 36 8.188 29.587 -4.290 1.00 47.27 O HETATM 1531 O HOH 37 11.525 27.748 -30.194 1.00 36.68 O HETATM 1532 O HOH 38 9.356 32.363 -21.979 1.00 39.87 O HETATM 1533 O HOH 39 1.444 19.854 -21.685 1.00 43.13 O HETATM 1534 O HOH 40 14.959 20.224 -0.069 1.00 51.51 O HETATM 1535 O HOH 41 3.341 18.012 -21.992 1.00 45.94 O HETATM 1536 O HOH 42 20.795 26.188 -24.413 1.00 53.95 O HETATM 1537 O HOH 43 11.349 38.021 -18.667 1.00 47.40 O HETATM 1538 O HOH 44 2.478 21.715 -23.654 1.00 44.98 O HETATM 1539 O HOH 45 -3.371 15.440 -9.106 1.00 50.48 O HETATM 1540 O HOH 46 -1.819 23.179 -0.073 1.00 49.23 O HETATM 1541 O HOH 47 15.835 29.214 -23.562 1.00 48.21 O HETATM 1542 O HOH 48 15.453 31.551 -7.419 1.00 47.98 O HETATM 1543 O HOH 49 2.225 37.340 -23.154 1.00 71.32 O HETATM 1544 O HOH 50 18.528 28.822 -30.627 1.00 52.84 O HETATM 1545 O HOH 51 18.724 25.169 -25.825 1.00 39.84 O HETATM 1546 O HOH 52 -7.734 16.004 3.537 1.00 66.57 O HETATM 1547 O HOH 53 12.402 13.189 -25.579 1.00 46.02 O HETATM 1548 O HOH 54 19.321 40.182 -12.814 1.00 64.91 O HETATM 1549 O HOH 55 14.481 33.284 -6.443 1.00 44.01 O HETATM 1550 O HOH 56 17.646 32.789 -7.476 1.00 48.92 O HETATM 1551 O HOH 57 -4.898 8.803 -6.007 1.00 55.86 O HETATM 1552 O HOH 58 -3.656 37.634 -23.705 1.00 75.75 O HETATM 1553 O HOH 59 -2.782 12.405 4.975 1.00 43.96 O HETATM 1554 O HOH 60 21.120 12.574 -16.092 1.00 65.05 O HETATM 1555 O HOH 61 15.357 29.458 -6.466 1.00 49.47 O HETATM 1556 O HOH 62 19.485 13.627 0.162 1.00 45.10 O HETATM 1557 O HOH 63 3.338 6.378 -18.951 1.00 59.77 O HETATM 1558 N SER A 64 1.592 10.577 -22.471 1.00 0.24 N HETATM 1559 CA SER A 64 2.379 9.559 -23.155 1.00 0.09 C HETATM 1560 C SER A 64 3.874 9.879 -23.052 1.00 0.23 C HETATM 1561 O SER A 64 4.582 9.953 -24.061 1.00 -0.39 O HETATM 1562 N SER A 64 4.328 10.101 -21.818 1.00 -0.26 N HETATM 1563 CA SER A 64 5.744 10.127 -21.462 1.00 0.13 C HETATM 1564 C SER A 64 5.846 9.570 -20.051 1.00 0.20 C HETATM 1565 O SER A 64 5.068 9.972 -19.183 1.00 -0.39 O HETATM 1566 N SER A 64 6.777 8.635 -19.825 1.00 -0.26 N HETATM 1567 CA SER A 64 6.818 7.927 -18.540 1.00 0.15 C HETATM 1568 C SER A 64 7.748 8.625 -17.554 1.00 0.21 C HETATM 1569 O SER A 64 8.833 9.083 -17.938 1.00 -0.39 O HETATM 1570 N SER A 64 7.322 8.706 -16.296 1.00 -0.25 N HETATM 1571 CA SER A 64 8.203 9.195 -15.231 1.00 0.13 C HETATM 1572 C SER A 64 9.232 8.154 -14.815 1.00 0.20 C HETATM 1573 O SER A 64 9.083 6.958 -15.055 1.00 -0.39 O HETATM 1574 N SER A 64 10.262 8.631 -14.120 1.00 -0.26 N HETATM 1575 CA SER A 64 11.454 7.844 -13.846 1.00 0.16 C HETATM 1576 C SER A 64 11.971 8.124 -12.445 1.00 0.21 C HETATM 1577 O SER A 64 11.930 9.262 -11.979 1.00 -0.39 O HETATM 1578 N SER A 64 12.434 7.075 -11.776 1.00 -0.26 N HETATM 1579 CA SER A 64 13.205 7.243 -10.561 1.00 0.13 C HETATM 1580 C SER A 64 14.577 7.792 -10.917 1.00 0.20 C HETATM 1581 O SER A 64 15.230 7.299 -11.837 1.00 -0.39 O HETATM 1582 N SER A 64 15.027 8.800 -10.181 1.00 -0.26 N HETATM 1583 CA SER A 64 16.301 9.454 -10.451 1.00 0.14 C HETATM 1584 C SER A 64 16.973 9.746 -9.123 1.00 0.21 C HETATM 1585 O SER A 64 16.433 10.505 -8.316 1.00 -0.39 O HETATM 1586 N SER A 64 18.136 9.149 -8.888 1.00 -0.26 N HETATM 1587 CA SER A 64 18.885 9.438 -7.675 1.00 0.14 C HETATM 1588 C SER A 64 19.629 10.751 -7.867 1.00 0.21 C HETATM 1589 O SER A 64 20.406 10.894 -8.811 1.00 -0.39 O HETATM 1590 N SER A 64 19.389 11.715 -6.979 1.00 -0.26 N HETATM 1591 CA SER A 64 20.042 13.015 -7.093 1.00 0.13 C HETATM 1592 C SER A 64 21.539 12.961 -6.829 1.00 0.20 C HETATM 1593 O SER A 64 22.235 13.922 -7.164 1.00 -0.39 O HETATM 1594 N SER A 64 22.047 11.878 -6.240 1.00 -0.26 N HETATM 1595 CA SER A 64 23.471 11.728 -5.966 1.00 0.15 C HETATM 1596 C SER A 64 24.243 11.080 -7.105 1.00 0.21 C HETATM 1597 O SER A 64 25.479 11.088 -7.074 1.00 -0.39 O HETATM 1598 N SER A 64 23.559 10.506 -8.094 1.00 -0.26 N HETATM 1599 CA SER A 64 24.221 10.049 -9.314 1.00 0.13 C HETATM 1600 C SER A 64 24.449 11.233 -10.256 1.00 0.20 C HETATM 1601 O SER A 64 23.875 11.329 -11.340 1.00 -0.39 O HETATM 1602 N SER A 64 25.303 12.152 -9.801 1.00 -0.27 N HETATM 1603 CA SER A 64 25.619 13.383 -10.531 1.00 0.09 C HETATM 1604 C SER A 64 27.116 13.473 -10.837 1.00 0.06 C HETATM 1605 O SER A 64 27.575 13.030 -11.894 1.00 -0.57 O HETATM 1606 OXT SER A 64 27.898 13.991 -10.034 1.00 -0.57 O HETATM 1607 CB SER A 64 25.170 14.615 -9.733 1.00 -0.03 C HETATM 1608 H69 SER A 64 25.416 15.527 -10.297 1.00 0.03 H HETATM 1609 H70 SER A 64 25.689 14.633 -8.763 1.00 0.03 H HETATM 1610 H71 SER A 64 24.084 14.568 -9.567 1.00 0.03 H HETATM 1611 H68 SER A 64 25.071 13.368 -11.485 1.00 0.07 H HETATM 1612 H67 SER A 64 25.749 11.993 -8.920 1.00 0.19 H HETATM 1613 CB SER A 64 23.400 8.958 -9.984 1.00 -0.00 C HETATM 1614 CG SER A 64 22.945 7.876 -9.032 1.00 0.00 C HETATM 1615 CD SER A 64 23.838 6.656 -9.069 1.00 0.04 C HETATM 1616 OE1 SER A 64 23.508 5.702 -9.809 1.00 -0.57 O HETATM 1617 OE2 SER A 64 24.868 6.649 -8.355 1.00 -0.57 O HETATM 1618 H65 SER A 64 21.923 7.573 -9.305 1.00 0.04 H HETATM 1619 H66 SER A 64 22.946 8.283 -8.010 1.00 0.04 H HETATM 1620 H63 SER A 64 24.013 8.494 -10.771 1.00 0.03 H HETATM 1621 H64 SER A 64 22.510 9.420 -10.437 1.00 0.03 H HETATM 1622 H62 SER A 64 25.200 9.627 -9.044 1.00 0.08 H HETATM 1623 H61 SER A 64 22.571 10.385 -7.999 1.00 0.19 H HETATM 1624 CB SER A 64 23.681 10.901 -4.705 1.00 0.08 C HETATM 1625 CG SER A 64 23.059 11.536 -3.510 1.00 0.18 C HETATM 1626 OD1 SER A 64 23.098 12.757 -3.356 1.00 -0.40 O HETATM 1627 ND2 SER A 64 22.449 10.724 -2.662 1.00 -0.30 N HETATM 1628 H59 SER A 64 22.013 11.094 -1.841 1.00 0.18 H HETATM 1629 H60 SER A 64 22.424 9.741 -2.842 1.00 0.18 H HETATM 1630 H57 SER A 64 24.761 10.793 -4.527 1.00 0.06 H HETATM 1631 H58 SER A 64 23.232 9.908 -4.853 1.00 0.06 H HETATM 1632 H56 SER A 64 23.887 12.733 -5.801 1.00 0.08 H HETATM 1633 H55 SER A 64 21.427 11.139 -5.976 1.00 0.19 H HETATM 1634 CB SER A 64 19.401 14.012 -6.134 1.00 -0.00 C HETATM 1635 CG SER A 64 19.755 13.798 -4.670 1.00 0.00 C HETATM 1636 CD SER A 64 18.974 14.727 -3.752 1.00 0.04 C HETATM 1637 OE1 SER A 64 18.968 14.496 -2.525 1.00 -0.57 O HETATM 1638 OE2 SER A 64 18.369 15.698 -4.251 1.00 -0.57 O HETATM 1639 H53 SER A 64 20.830 13.986 -4.534 1.00 0.04 H HETATM 1640 H54 SER A 64 19.527 12.757 -4.398 1.00 0.04 H HETATM 1641 H51 SER A 64 18.309 13.935 -6.238 1.00 0.03 H HETATM 1642 H52 SER A 64 19.726 15.023 -6.422 1.00 0.03 H HETATM 1643 H50 SER A 64 19.893 13.375 -8.122 1.00 0.08 H HETATM 1644 H49 SER A 64 18.754 11.546 -6.225 1.00 0.19 H HETATM 1645 CB SER A 64 19.847 8.299 -7.336 1.00 0.04 C HETATM 1646 CG SER A 64 20.384 8.401 -5.915 1.00 0.04 C HETATM 1647 OD1 SER A 64 21.046 9.412 -5.605 1.00 -0.57 O HETATM 1648 OD2 SER A 64 20.139 7.492 -5.093 1.00 -0.57 O HETATM 1649 H47 SER A 64 20.694 8.330 -8.037 1.00 0.05 H HETATM 1650 H48 SER A 64 19.315 7.342 -7.446 1.00 0.05 H HETATM 1651 H46 SER A 64 18.178 9.551 -6.840 1.00 0.08 H HETATM 1652 H45 SER A 64 18.500 8.495 -9.551 1.00 0.19 H HETATM 1653 CB SER A 64 16.091 10.750 -11.239 1.00 0.04 C HETATM 1654 CG SER A 64 17.396 11.394 -11.674 1.00 0.04 C HETATM 1655 OD1 SER A 64 18.141 11.966 -10.826 1.00 -0.57 O HETATM 1656 OD2 SER A 64 17.680 11.325 -12.887 1.00 -0.57 O HETATM 1657 H43 SER A 64 15.543 11.462 -10.605 1.00 0.05 H HETATM 1658 H44 SER A 64 15.495 10.523 -12.136 1.00 0.05 H HETATM 1659 H42 SER A 64 16.938 8.779 -11.041 1.00 0.08 H HETATM 1660 H41 SER A 64 14.472 9.122 -9.414 1.00 0.19 H HETATM 1661 CB SER A 64 13.344 5.908 -9.835 1.00 -0.00 C HETATM 1662 CG SER A 64 12.317 5.675 -8.751 1.00 0.00 C HETATM 1663 CD SER A 64 12.862 4.878 -7.571 1.00 0.04 C HETATM 1664 OE1 SER A 64 13.625 3.901 -7.779 1.00 -0.57 O HETATM 1665 OE2 SER A 64 12.522 5.238 -6.425 1.00 -0.57 O HETATM 1666 H39 SER A 64 11.470 5.123 -9.184 1.00 0.04 H HETATM 1667 H40 SER A 64 11.969 6.651 -8.383 1.00 0.04 H HETATM 1668 H37 SER A 64 14.343 5.869 -9.376 1.00 0.03 H HETATM 1669 H38 SER A 64 13.249 5.102 -10.577 1.00 0.03 H HETATM 1670 H36 SER A 64 12.690 7.957 -9.901 1.00 0.08 H HETATM 1671 H35 SER A 64 12.248 6.153 -12.116 1.00 0.19 H HETATM 1672 CB SER A 64 12.525 8.155 -14.907 1.00 0.09 C HETATM 1673 OG1 SER A 64 12.220 7.408 -16.079 1.00 -0.39 O HETATM 1674 H31 SER A 64 12.872 7.588 -16.746 1.00 0.21 H HETATM 1675 CG2 SER A 64 13.954 7.850 -14.461 1.00 -0.03 C HETATM 1676 H32 SER A 64 14.653 8.099 -15.273 1.00 0.03 H HETATM 1677 H33 SER A 64 14.042 6.781 -14.217 1.00 0.03 H HETATM 1678 H34 SER A 64 14.197 8.450 -13.572 1.00 0.03 H HETATM 1679 H30 SER A 64 12.469 9.228 -15.143 1.00 0.06 H HETATM 1680 H29 SER A 64 11.195 6.777 -13.912 1.00 0.08 H HETATM 1681 H28 SER A 64 10.214 9.568 -13.773 1.00 0.19 H HETATM 1682 CB SER A 64 7.229 9.473 -14.089 1.00 -0.01 C HETATM 1683 CG SER A 64 6.154 8.467 -14.310 1.00 -0.03 C HETATM 1684 CD SER A 64 5.962 8.451 -15.797 1.00 0.04 C HETATM 1685 H26 SER A 64 5.590 7.474 -16.139 1.00 0.05 H HETATM 1686 H27 SER A 64 5.267 9.241 -16.117 1.00 0.05 H HETATM 1687 H24 SER A 64 5.227 8.769 -13.801 1.00 0.03 H HETATM 1688 H25 SER A 64 6.466 7.477 -13.947 1.00 0.03 H HETATM 1689 H22 SER A 64 6.831 10.496 -14.150 1.00 0.03 H HETATM 1690 H23 SER A 64 7.713 9.325 -13.112 1.00 0.03 H HETATM 1691 H21 SER A 64 8.721 10.114 -15.543 1.00 0.08 H HETATM 1692 CB SER A 64 7.288 6.491 -18.719 1.00 0.08 C HETATM 1693 OG SER A 64 6.276 5.677 -19.288 1.00 -0.39 O HETATM 1694 H20 SER A 64 5.515 5.675 -18.719 1.00 0.21 H HETATM 1695 H18 SER A 64 7.565 6.081 -17.737 1.00 0.06 H HETATM 1696 H19 SER A 64 8.166 6.483 -19.381 1.00 0.06 H HETATM 1697 H17 SER A 64 5.801 7.917 -18.120 1.00 0.08 H HETATM 1698 H16 SER A 64 7.447 8.418 -20.535 1.00 0.19 H HETATM 1699 CB SER A 64 6.329 11.541 -21.531 1.00 0.00 C HETATM 1700 CG SER A 64 7.847 11.560 -21.570 1.00 0.04 C HETATM 1701 CD SER A 64 8.451 12.886 -21.111 1.00 0.17 C HETATM 1702 OE1 SER A 64 9.661 12.979 -20.915 1.00 -0.40 O HETATM 1703 NE2 SER A 64 7.614 13.913 -20.937 1.00 -0.30 N HETATM 1704 H14 SER A 64 7.966 14.800 -20.637 1.00 0.18 H HETATM 1705 H15 SER A 64 6.636 13.795 -21.107 1.00 0.18 H HETATM 1706 H12 SER A 64 8.171 11.369 -22.604 1.00 0.05 H HETATM 1707 H13 SER A 64 8.222 10.761 -20.914 1.00 0.05 H HETATM 1708 H10 SER A 64 5.995 12.101 -20.645 1.00 0.03 H HETATM 1709 H11 SER A 64 5.950 12.032 -22.439 1.00 0.03 H HETATM 1710 H9 SER A 64 6.306 9.483 -22.154 1.00 0.08 H HETATM 1711 H8 SER A 64 3.658 10.259 -21.093 1.00 0.19 H HETATM 1712 CB SER A 64 1.951 9.432 -24.624 1.00 0.10 C HETATM 1713 OG SER A 64 2.476 10.490 -25.410 1.00 -0.39 O HETATM 1714 H7 SER A 64 3.425 10.472 -25.369 1.00 0.21 H HETATM 1715 H5 SER A 64 0.853 9.456 -24.680 1.00 0.06 H HETATM 1716 H6 SER A 64 2.318 8.475 -25.022 1.00 0.06 H HETATM 1717 H4 SER A 64 2.198 8.594 -22.660 1.00 0.11 H HETATM 1718 H1 SER A 64 0.612 10.352 -22.548 1.00 0.20 H HETATM 1719 H2 SER A 64 1.765 11.476 -22.894 1.00 0.20 H HETATM 1720 H3 SER A 64 1.854 10.607 -21.498 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1558 1559 1718 1719 1720 CONECT 1559 1558 1560 1712 1717 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1711 CONECT 1563 1562 1564 1699 1710 CONECT 1564 1563 1565 1566 CONECT 1565 1564 CONECT 1566 1564 1567 1698 CONECT 1567 1566 1568 1692 1697 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 1571 1684 CONECT 1571 1570 1572 1682 1691 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 1575 1681 CONECT 1575 1574 1576 1672 1680 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1671 CONECT 1579 1578 1580 1661 1670 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1660 CONECT 1583 1582 1584 1653 1659 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 1587 1652 CONECT 1587 1586 1588 1645 1651 CONECT 1588 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1588 1591 1644 CONECT 1591 1590 1592 1634 1643 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 1595 1633 CONECT 1595 1594 1596 1624 1632 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 1599 1623 CONECT 1599 1598 1600 1613 1622 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1612 CONECT 1603 1602 1604 1607 1611 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1603 1608 1609 1610 CONECT 1608 1607 CONECT 1609 1607 CONECT 1610 1607 CONECT 1611 1603 CONECT 1612 1602 CONECT 1613 1599 1614 1620 1621 CONECT 1614 1613 1615 1618 1619 CONECT 1615 1614 1616 1617 CONECT 1616 1615 CONECT 1617 1615 CONECT 1618 1614 CONECT 1619 1614 CONECT 1620 1613 CONECT 1621 1613 CONECT 1622 1599 CONECT 1623 1598 CONECT 1624 1595 1625 1630 1631 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1629 CONECT 1628 1627 CONECT 1629 1627 CONECT 1630 1624 CONECT 1631 1624 CONECT 1632 1595 CONECT 1633 1594 CONECT 1634 1591 1635 1641 1642 CONECT 1635 1634 1636 1639 1640 CONECT 1636 1635 1637 1638 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1635 CONECT 1640 1635 CONECT 1641 1634 CONECT 1642 1634 CONECT 1643 1591 CONECT 1644 1590 CONECT 1645 1587 1646 1649 1650 CONECT 1646 1645 1647 1648 CONECT 1647 1646 CONECT 1648 1646 CONECT 1649 1645 CONECT 1650 1645 CONECT 1651 1587 CONECT 1652 1586 CONECT 1653 1583 1654 1657 1658 CONECT 1654 1653 1655 1656 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1653 CONECT 1658 1653 CONECT 1659 1583 CONECT 1660 1582 CONECT 1661 1579 1662 1668 1669 CONECT 1662 1661 1663 1666 1667 CONECT 1663 1662 1664 1665 CONECT 1664 1663 CONECT 1665 1663 CONECT 1666 1662 CONECT 1667 1662 CONECT 1668 1661 CONECT 1669 1661 CONECT 1670 1579 CONECT 1671 1578 CONECT 1672 1575 1673 1675 1679 CONECT 1673 1672 1674 CONECT 1674 1673 CONECT 1675 1672 1676 1677 1678 CONECT 1676 1675 CONECT 1677 1675 CONECT 1678 1675 CONECT 1679 1672 CONECT 1680 1575 CONECT 1681 1574 CONECT 1682 1571 1683 1689 1690 CONECT 1683 1682 1684 1687 1688 CONECT 1684 1570 1683 1685 1686 CONECT 1685 1684 CONECT 1686 1684 CONECT 1687 1683 CONECT 1688 1683 CONECT 1689 1682 CONECT 1690 1682 CONECT 1691 1571 CONECT 1692 1567 1693 1695 1696 CONECT 1693 1692 1694 CONECT 1694 1693 CONECT 1695 1692 CONECT 1696 1692 CONECT 1697 1567 CONECT 1698 1566 CONECT 1699 1563 1700 1708 1709 CONECT 1700 1699 1701 1706 1707 CONECT 1701 1700 1702 1703 CONECT 1702 1701 CONECT 1703 1701 1704 1705 CONECT 1704 1703 CONECT 1705 1703 CONECT 1706 1700 CONECT 1707 1700 CONECT 1708 1699 CONECT 1709 1699 CONECT 1710 1563 CONECT 1711 1562 CONECT 1712 1559 1713 1715 1716 CONECT 1713 1712 1714 CONECT 1714 1713 CONECT 1715 1712 CONECT 1716 1712 CONECT 1717 1559 CONECT 1718 1558 CONECT 1719 1558 CONECT 1720 1558 MASTER 0 0 0 0 0 0 0 0 1719 1 167 12 END
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15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5zuj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TNF receptor-associated factor 6
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=16.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Chembiochem Vol. : pp. -
Ligand Properties
Formula
C
5
0
H
7
7
N
1
4
O
2
8
Molecular Weight
1322.220
Exact Mass
1321.500
No. of atoms
169
No. of bonds
169
Polar Surface Area
709.62
LOGP Value
-6.06 (
Computed with XLOGP3
)
-7.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 28
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)O)CC(=O)N)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CCC(=O)N
InChI String
InChI=1S/C50H76N14O28/c1-19(50(91)92)54-40(81)23(6-10-33(70)71)56-44(85)26(14-32(53)69)59-41(82)24(7-11-34(72)73)57-45(86)27(15-36(76)77)61-46(87)28(16-37(78)79)60-42(83)25(8-12-35(74)75)58-48(89)38(20(2)67)63-47(88)30-4-3-13-64(30)49(90)29(18-66)62-43(84)22(5-9-31(52)68)55-39(80)21(51)17-65/h19-30,38,65-67H,3-18,51H2,1-2H3,(H2,52,68)(H2,53,69)(H,54,81)(H,55,80)(H,56,85)(H,57,86)(H,58,89)(H,59,82)(H,60,83)(H,61,87)(H,62,84)(H,63,88)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,91,92)/p+1/t19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,38-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96CG3
Q9Y4K3
Entrez Gene ID
NCBI Entrez Gene ID:
92610
7189
ASD
Information of known allosteric effects of PDB entries
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