Browse entries in the PDBbind-CN Database
HEADER 4RDN_COMPLEX COMPND 4RDN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 149 GLU ASN LEU TYR PHE GLN HIS MET LYS HIS GLY ARG VAL SEQRES 2 A 149 PHE ILE ILE LYS SER TYR SER GLU ASP ASP ILE HIS ARG SEQRES 3 A 149 SER ILE LYS TYR ASN ILE TRP CYS SER THR GLU HIS GLY SEQRES 4 A 149 ASN LYS ARG LEU ASP ALA ALA TYR ARG SER MET ASN GLY SEQRES 5 A 149 LYS GLY PRO VAL TYR LEU LEU PHE SER VAL ASN GLY SER SEQRES 6 A 149 GLY HIS PHE CYS GLY VAL ALA GLU MET LYS SER ALA VAL SEQRES 7 A 149 ASP TYR ASN THR CYS ALA GLY VAL TRP SER GLN ASP LYS SEQRES 8 A 149 TRP LYS GLY ARG PHE ASP VAL ARG TRP ILE PHE VAL LYS SEQRES 9 A 149 ASP VAL PRO ASN SER GLN LEU ARG HIS ILE ARG LEU GLU SEQRES 10 A 149 ASN ASN GLU ASN LYS PRO VAL THR ASN SER ARG ASP THR SEQRES 11 A 149 GLN GLU VAL PRO LEU GLU LYS ALA LYS GLN VAL LEU LYS SEQRES 12 A 149 ILE ILE ALA SER TYR LYS HET UNN A 287 35 ATOM 1 N GLU A 400 -11.575 -37.326 -26.045 1.00 50.45 N ATOM 2 CA GLU A 400 -10.598 -36.761 -25.060 1.00 49.73 C ATOM 3 C GLU A 400 -11.077 -35.447 -24.421 1.00 48.87 C ATOM 4 O GLU A 400 -12.069 -34.847 -24.855 1.00 45.65 O ATOM 5 CB GLU A 400 -9.224 -36.557 -25.717 1.00 50.09 C ATOM 6 CG GLU A 400 -9.198 -35.527 -26.838 1.00 50.97 C ATOM 7 CD GLU A 400 -7.857 -35.457 -27.550 1.00 53.68 C ATOM 8 OE1 GLU A 400 -6.816 -35.742 -26.914 1.00 56.81 O ATOM 9 OE2 GLU A 400 -7.840 -35.112 -28.751 1.00 53.75 O ATOM 10 HN3 GLU A 400 -11.729 -36.640 -26.811 1.00 0.00 H ATOM 11 HN2 GLU A 400 -12.477 -37.519 -25.565 1.00 0.00 H ATOM 12 HN1 GLU A 400 -11.195 -38.210 -26.440 1.00 0.00 H ATOM 13 N ASN A 401 -10.344 -35.016 -23.392 1.00 47.32 N ATOM 14 CA ASN A 401 -10.634 -33.794 -22.644 1.00 45.74 C ATOM 15 C ASN A 401 -9.340 -33.028 -22.355 1.00 45.31 C ATOM 16 O ASN A 401 -8.576 -33.413 -21.475 1.00 44.74 O ATOM 17 CB ASN A 401 -11.340 -34.157 -21.334 1.00 45.95 C ATOM 18 CG ASN A 401 -11.623 -32.952 -20.452 1.00 46.58 C ATOM 19 OD1 ASN A 401 -11.125 -31.844 -20.683 1.00 48.09 O ATOM 20 ND2 ASN A 401 -12.418 -33.169 -19.417 1.00 47.40 N ATOM 21 HD22 ASN A 401 -12.817 -34.116 -19.257 1.00 0.00 H ATOM 22 HD21 ASN A 401 -12.644 -32.393 -18.763 1.00 0.00 H ATOM 23 H ASN A 401 -9.520 -35.582 -23.106 1.00 0.00 H ATOM 24 N LEU A 402 -9.107 -31.941 -23.087 1.00 44.31 N ATOM 25 CA LEU A 402 -7.898 -31.135 -22.922 1.00 45.05 C ATOM 26 C LEU A 402 -8.167 -29.790 -22.237 1.00 44.10 C ATOM 27 O LEU A 402 -7.379 -28.854 -22.386 1.00 42.32 O ATOM 28 CB LEU A 402 -7.249 -30.879 -24.290 1.00 47.13 C ATOM 29 CG LEU A 402 -7.038 -32.087 -25.213 1.00 48.46 C ATOM 30 CD1 LEU A 402 -6.235 -31.677 -26.441 1.00 48.69 C ATOM 31 CD2 LEU A 402 -6.351 -33.233 -24.479 1.00 48.89 C ATOM 32 H LEU A 402 -9.808 -31.655 -23.800 1.00 0.00 H ATOM 33 N TYR A 403 -9.261 -29.693 -21.482 1.00 43.11 N ATOM 34 CA TYR A 403 -9.679 -28.413 -20.903 1.00 42.81 C ATOM 35 C TYR A 403 -8.643 -27.815 -19.940 1.00 44.97 C ATOM 36 O TYR A 403 -8.354 -26.613 -19.997 1.00 41.43 O ATOM 37 CB TYR A 403 -11.033 -28.558 -20.194 1.00 43.12 C ATOM 38 CG TYR A 403 -11.518 -27.279 -19.540 1.00 41.03 C ATOM 39 CD1 TYR A 403 -12.084 -26.254 -20.292 1.00 40.77 C ATOM 40 CD2 TYR A 403 -11.399 -27.093 -18.169 1.00 41.14 C ATOM 41 CE1 TYR A 403 -12.520 -25.081 -19.694 1.00 39.76 C ATOM 42 CE2 TYR A 403 -11.836 -25.928 -17.561 1.00 39.94 C ATOM 43 CZ TYR A 403 -12.389 -24.926 -18.324 1.00 39.00 C ATOM 44 OH TYR A 403 -12.821 -23.778 -17.707 1.00 36.99 O ATOM 45 HH TYR A 403 -12.059 -23.346 -17.245 1.00 0.00 H ATOM 46 H TYR A 403 -9.830 -30.544 -21.300 1.00 0.00 H ATOM 47 N PHE A 404 -8.091 -28.657 -19.068 1.00 47.84 N ATOM 48 CA PHE A 404 -7.174 -28.193 -18.020 1.00 49.97 C ATOM 49 C PHE A 404 -5.763 -27.906 -18.550 1.00 52.35 C ATOM 50 O PHE A 404 -5.018 -27.117 -17.960 1.00 48.77 O ATOM 51 CB PHE A 404 -7.134 -29.200 -16.863 1.00 48.93 C ATOM 52 CG PHE A 404 -8.463 -29.372 -16.163 1.00 47.81 C ATOM 53 CD1 PHE A 404 -9.104 -28.285 -15.574 1.00 48.19 C ATOM 54 CD2 PHE A 404 -9.066 -30.619 -16.079 1.00 47.90 C ATOM 55 CE1 PHE A 404 -10.325 -28.440 -14.932 1.00 46.74 C ATOM 56 CE2 PHE A 404 -10.283 -30.781 -15.433 1.00 47.08 C ATOM 57 CZ PHE A 404 -10.912 -29.690 -14.860 1.00 46.94 C ATOM 58 H PHE A 404 -8.316 -29.670 -19.131 1.00 0.00 H ATOM 59 N GLN A 405 -5.405 -28.539 -19.665 1.00 54.76 N ATOM 60 CA GLN A 405 -4.166 -28.222 -20.366 1.00 57.18 C ATOM 61 C GLN A 405 -4.085 -26.709 -20.573 1.00 57.78 C ATOM 62 O GLN A 405 -5.105 -26.059 -20.820 1.00 60.16 O ATOM 63 CB GLN A 405 -4.122 -28.945 -21.715 1.00 60.12 C ATOM 64 CG GLN A 405 -2.749 -29.009 -22.361 1.00 62.22 C ATOM 65 CD GLN A 405 -2.761 -29.734 -23.697 1.00 65.68 C ATOM 66 OE1 GLN A 405 -3.820 -30.013 -24.266 1.00 68.56 O ATOM 67 NE2 GLN A 405 -1.574 -30.041 -24.209 1.00 68.21 N ATOM 68 HE22 GLN A 405 -0.705 -29.787 -23.696 1.00 0.00 H ATOM 69 HE21 GLN A 405 -1.514 -30.535 -25.122 1.00 0.00 H ATOM 70 H GLN A 405 -6.026 -29.280 -20.047 1.00 0.00 H ATOM 71 N HIS A 406 -2.879 -26.159 -20.436 1.00 55.74 N ATOM 72 CA HIS A 406 -2.615 -24.712 -20.564 1.00 56.06 C ATOM 73 C HIS A 406 -3.052 -23.846 -19.369 1.00 52.49 C ATOM 74 O HIS A 406 -2.678 -22.672 -19.308 1.00 50.14 O ATOM 75 CB HIS A 406 -3.187 -24.134 -21.871 1.00 58.41 C ATOM 76 CG HIS A 406 -2.708 -24.840 -23.103 1.00 60.90 C ATOM 77 ND1 HIS A 406 -1.480 -24.587 -23.676 1.00 61.99 N ATOM 78 CD2 HIS A 406 -3.292 -25.792 -23.869 1.00 62.27 C ATOM 79 CE1 HIS A 406 -1.326 -25.354 -24.741 1.00 63.12 C ATOM 80 NE2 HIS A 406 -2.412 -26.094 -24.880 1.00 63.08 N ATOM 81 H HIS A 406 -2.076 -26.786 -20.227 1.00 0.00 H ATOM 82 N MET A 407 -3.831 -24.397 -18.433 1.00 50.76 N ATOM 83 CA MET A 407 -4.105 -23.699 -17.172 1.00 48.98 C ATOM 84 C MET A 407 -2.829 -23.753 -16.342 1.00 47.19 C ATOM 85 O MET A 407 -2.443 -24.814 -15.857 1.00 46.49 O ATOM 86 CB MET A 407 -5.265 -24.332 -16.392 1.00 49.52 C ATOM 87 CG MET A 407 -5.669 -23.539 -15.147 1.00 51.93 C ATOM 88 SD MET A 407 -6.516 -24.490 -13.859 1.00 52.80 S ATOM 89 CE MET A 407 -8.114 -24.744 -14.630 1.00 53.45 C ATOM 90 H MET A 407 -4.249 -25.334 -18.601 1.00 0.00 H ATOM 91 N LYS A 408 -2.160 -22.612 -16.225 1.00 46.12 N ATOM 92 CA LYS A 408 -0.977 -22.488 -15.385 1.00 45.99 C ATOM 93 C LYS A 408 -1.361 -21.852 -14.062 1.00 45.63 C ATOM 94 O LYS A 408 -0.775 -22.167 -13.029 1.00 45.82 O ATOM 95 CB LYS A 408 0.095 -21.646 -16.082 1.00 46.39 C ATOM 96 H LYS A 408 -2.492 -21.779 -16.751 1.00 0.00 H ATOM 97 N HIS A 409 -2.353 -20.964 -14.091 1.00 44.51 N ATOM 98 CA HIS A 409 -2.757 -20.226 -12.906 1.00 43.02 C ATOM 99 C HIS A 409 -3.929 -20.909 -12.207 1.00 38.32 C ATOM 100 O HIS A 409 -5.070 -20.831 -12.649 1.00 38.36 O ATOM 101 CB HIS A 409 -3.107 -18.787 -13.278 1.00 47.38 C ATOM 102 CG HIS A 409 -1.919 -17.970 -13.683 1.00 51.01 C ATOM 103 ND1 HIS A 409 -1.487 -17.876 -14.989 1.00 52.94 N ATOM 104 CD2 HIS A 409 -1.069 -17.212 -12.950 1.00 52.99 C ATOM 105 CE1 HIS A 409 -0.424 -17.092 -15.042 1.00 54.38 C ATOM 106 NE2 HIS A 409 -0.150 -16.677 -13.818 1.00 53.77 N ATOM 107 H HIS A 409 -2.853 -20.794 -14.987 1.00 0.00 H ATOM 108 N GLY A 410 -3.623 -21.593 -11.116 1.00 32.58 N ATOM 109 CA GLY A 410 -4.628 -22.258 -10.305 1.00 29.98 C ATOM 110 C GLY A 410 -3.973 -22.819 -9.059 1.00 26.98 C ATOM 111 O GLY A 410 -2.819 -23.260 -9.105 1.00 26.92 O ATOM 112 H GLY A 410 -2.626 -21.657 -10.829 1.00 0.00 H ATOM 113 N ARG A 411 -4.684 -22.773 -7.939 1.00 22.91 N ATOM 114 CA ARG A 411 -4.195 -23.393 -6.720 1.00 20.80 C ATOM 115 C ARG A 411 -5.302 -24.226 -6.077 1.00 19.47 C ATOM 116 O ARG A 411 -6.479 -23.850 -6.098 1.00 18.33 O ATOM 117 CB ARG A 411 -3.610 -22.336 -5.788 1.00 20.62 C ATOM 118 CG ARG A 411 -2.418 -21.629 -6.435 1.00 20.73 C ATOM 119 CD ARG A 411 -1.709 -20.666 -5.511 1.00 20.55 C ATOM 120 NE ARG A 411 -0.983 -21.334 -4.429 1.00 20.14 N ATOM 121 CZ ARG A 411 -0.251 -20.686 -3.528 1.00 20.32 C ATOM 122 NH1 ARG A 411 -0.134 -19.362 -3.582 1.00 20.84 N ATOM 123 NH2 ARG A 411 0.366 -21.355 -2.566 1.00 20.82 N ATOM 124 HE ARG A 411 -1.043 -22.370 -4.362 1.00 0.00 H ATOM 125 HH12 ARG A 411 0.440 -18.861 -2.874 1.00 0.00 H ATOM 126 HH11 ARG A 411 -0.617 -18.827 -4.332 1.00 0.00 H ATOM 127 HH22 ARG A 411 0.938 -20.845 -1.863 1.00 0.00 H ATOM 128 HH21 ARG A 411 0.279 -22.390 -2.514 1.00 0.00 H ATOM 129 H ARG A 411 -5.603 -22.287 -7.934 1.00 0.00 H ATOM 130 N VAL A 412 -4.918 -25.384 -5.545 1.00 17.50 N ATOM 131 CA VAL A 412 -5.882 -26.368 -5.089 1.00 16.71 C ATOM 132 C VAL A 412 -5.464 -26.888 -3.726 1.00 16.25 C ATOM 133 O VAL A 412 -4.294 -27.222 -3.517 1.00 17.28 O ATOM 134 CB VAL A 412 -6.007 -27.541 -6.083 1.00 16.36 C ATOM 135 CG1 VAL A 412 -7.028 -28.561 -5.596 1.00 16.07 C ATOM 136 CG2 VAL A 412 -6.387 -27.027 -7.472 1.00 16.86 C ATOM 137 H VAL A 412 -3.902 -25.589 -5.454 1.00 0.00 H ATOM 138 N PHE A 413 -6.422 -26.950 -2.809 1.00 15.25 N ATOM 139 CA PHE A 413 -6.165 -27.397 -1.447 1.00 15.04 C ATOM 140 C PHE A 413 -7.120 -28.505 -1.068 1.00 14.38 C ATOM 141 O PHE A 413 -8.242 -28.564 -1.567 1.00 14.54 O ATOM 142 CB PHE A 413 -6.334 -26.250 -0.451 1.00 14.88 C ATOM 143 CG PHE A 413 -5.333 -25.158 -0.609 1.00 14.65 C ATOM 144 CD1 PHE A 413 -5.492 -24.192 -1.595 1.00 14.80 C ATOM 145 CD2 PHE A 413 -4.230 -25.078 0.231 1.00 14.72 C ATOM 146 CE1 PHE A 413 -4.565 -23.173 -1.751 1.00 14.57 C ATOM 147 CE2 PHE A 413 -3.304 -24.067 0.081 1.00 14.78 C ATOM 148 CZ PHE A 413 -3.470 -23.112 -0.911 1.00 14.82 C ATOM 149 H PHE A 413 -7.388 -26.670 -3.072 1.00 0.00 H ATOM 150 N ILE A 414 -6.649 -29.391 -0.201 1.00 14.18 N ATOM 151 CA ILE A 414 -7.502 -30.365 0.466 1.00 14.01 C ATOM 152 C ILE A 414 -8.173 -29.683 1.665 1.00 14.05 C ATOM 153 O ILE A 414 -7.530 -28.950 2.401 1.00 14.26 O ATOM 154 CB ILE A 414 -6.697 -31.570 0.998 1.00 14.00 C ATOM 155 CG1 ILE A 414 -5.909 -32.254 -0.125 1.00 14.20 C ATOM 156 CG2 ILE A 414 -7.621 -32.570 1.703 1.00 14.02 C ATOM 157 CD1 ILE A 414 -6.755 -32.713 -1.298 1.00 14.41 C ATOM 158 H ILE A 414 -5.631 -29.390 0.011 1.00 0.00 H ATOM 159 N ILE A 415 -9.467 -29.930 1.844 1.00 14.29 N ATOM 160 CA ILE A 415 -10.184 -29.533 3.048 1.00 14.40 C ATOM 161 C ILE A 415 -10.691 -30.805 3.722 1.00 14.76 C ATOM 162 O ILE A 415 -11.392 -31.600 3.090 1.00 14.83 O ATOM 163 CB ILE A 415 -11.382 -28.623 2.744 1.00 14.34 C ATOM 164 CG1 ILE A 415 -10.928 -27.288 2.137 1.00 14.35 C ATOM 165 CG2 ILE A 415 -12.202 -28.368 4.011 1.00 14.40 C ATOM 166 CD1 ILE A 415 -10.140 -26.394 3.078 1.00 14.31 C ATOM 167 H ILE A 415 -9.988 -30.427 1.094 1.00 0.00 H ATOM 168 N LYS A 416 -10.319 -30.991 4.989 1.00 14.95 N ATOM 169 CA LYS A 416 -10.813 -32.107 5.798 1.00 15.82 C ATOM 170 C LYS A 416 -11.756 -31.568 6.876 1.00 15.77 C ATOM 171 O LYS A 416 -11.445 -30.585 7.539 1.00 16.47 O ATOM 172 CB LYS A 416 -9.659 -32.874 6.448 1.00 16.17 C ATOM 173 CG LYS A 416 -8.637 -33.455 5.480 1.00 16.55 C ATOM 174 CD LYS A 416 -9.236 -34.514 4.569 1.00 17.37 C ATOM 175 CE LYS A 416 -9.404 -35.849 5.277 1.00 18.33 C ATOM 176 NZ LYS A 416 -9.995 -36.852 4.347 1.00 19.46 N ATOM 177 HZ1 LYS A 416 -10.925 -36.517 4.024 1.00 0.00 H ATOM 178 HZ2 LYS A 416 -9.366 -36.976 3.528 1.00 0.00 H ATOM 179 HZ3 LYS A 416 -10.105 -37.760 4.842 1.00 0.00 H ATOM 180 H LYS A 416 -9.653 -30.318 5.419 1.00 0.00 H ATOM 181 N SER A 417 -12.917 -32.198 7.021 1.00 15.88 N ATOM 182 CA SER A 417 -13.904 -31.813 8.029 1.00 15.97 C ATOM 183 C SER A 417 -14.231 -33.001 8.933 1.00 16.13 C ATOM 184 O SER A 417 -14.431 -34.109 8.450 1.00 15.86 O ATOM 185 CB SER A 417 -15.184 -31.319 7.357 1.00 15.85 C ATOM 186 OG SER A 417 -16.186 -31.026 8.323 1.00 16.03 O ATOM 187 HG SER A 417 -17.003 -30.709 7.863 1.00 0.00 H ATOM 188 H SER A 417 -13.133 -32.998 6.392 1.00 0.00 H ATOM 189 N TYR A 418 -14.283 -32.768 10.243 1.00 16.65 N ATOM 190 CA TYR A 418 -14.767 -33.790 11.176 1.00 17.05 C ATOM 191 C TYR A 418 -16.282 -33.934 11.158 1.00 16.63 C ATOM 192 O TYR A 418 -16.808 -34.920 11.673 1.00 16.95 O ATOM 193 CB TYR A 418 -14.320 -33.495 12.611 1.00 17.86 C ATOM 194 CG TYR A 418 -12.945 -34.004 12.902 1.00 18.97 C ATOM 195 CD1 TYR A 418 -12.668 -35.366 12.849 1.00 19.78 C ATOM 196 CD2 TYR A 418 -11.917 -33.131 13.221 1.00 19.98 C ATOM 197 CE1 TYR A 418 -11.400 -35.846 13.105 1.00 20.97 C ATOM 198 CE2 TYR A 418 -10.643 -33.595 13.481 1.00 20.83 C ATOM 199 CZ TYR A 418 -10.392 -34.952 13.423 1.00 21.76 C ATOM 200 OH TYR A 418 -9.130 -35.409 13.683 1.00 23.76 O ATOM 201 HH TYR A 418 -9.114 -36.395 13.601 1.00 0.00 H ATOM 202 H TYR A 418 -13.975 -31.845 10.611 1.00 0.00 H ATOM 203 N SER A 419 -16.982 -32.973 10.558 1.00 16.07 N ATOM 204 CA SER A 419 -18.445 -32.912 10.643 1.00 15.86 C ATOM 205 C SER A 419 -19.129 -32.923 9.282 1.00 16.29 C ATOM 206 O SER A 419 -18.824 -32.095 8.417 1.00 15.44 O ATOM 207 CB SER A 419 -18.856 -31.650 11.417 1.00 15.51 C ATOM 208 OG SER A 419 -20.212 -31.309 11.190 1.00 15.22 O ATOM 209 HG SER A 419 -20.792 -32.056 11.483 1.00 0.00 H ATOM 210 H SER A 419 -16.477 -32.245 10.014 1.00 0.00 H ATOM 211 N GLU A 420 -20.068 -33.852 9.107 1.00 17.36 N ATOM 212 CA GLU A 420 -20.973 -33.833 7.954 1.00 18.49 C ATOM 213 C GLU A 420 -21.918 -32.642 7.995 1.00 17.50 C ATOM 214 O GLU A 420 -22.282 -32.109 6.952 1.00 17.28 O ATOM 215 CB GLU A 420 -21.815 -35.108 7.857 1.00 20.29 C ATOM 216 CG GLU A 420 -21.496 -35.968 6.656 1.00 23.02 C ATOM 217 CD GLU A 420 -21.730 -35.261 5.332 1.00 24.34 C ATOM 218 OE1 GLU A 420 -22.857 -34.763 5.055 1.00 26.00 O ATOM 219 OE2 GLU A 420 -20.767 -35.223 4.554 1.00 27.84 O ATOM 220 H GLU A 420 -20.162 -34.613 9.809 1.00 0.00 H ATOM 221 N ASP A 421 -22.333 -32.238 9.194 1.00 16.63 N ATOM 222 CA ASP A 421 -23.204 -31.065 9.327 1.00 15.99 C ATOM 223 C ASP A 421 -22.545 -29.822 8.702 1.00 16.00 C ATOM 224 O ASP A 421 -23.214 -29.064 8.007 1.00 16.12 O ATOM 225 CB ASP A 421 -23.538 -30.778 10.796 1.00 15.53 C ATOM 226 CG ASP A 421 -24.335 -31.902 11.468 1.00 15.24 C ATOM 227 OD1 ASP A 421 -24.797 -32.840 10.792 1.00 15.07 O ATOM 228 OD2 ASP A 421 -24.516 -31.824 12.694 1.00 15.07 O ATOM 229 H ASP A 421 -22.037 -32.759 10.044 1.00 0.00 H ATOM 230 N ASP A 422 -21.245 -29.619 8.940 1.00 15.37 N ATOM 231 CA ASP A 422 -20.539 -28.454 8.389 1.00 15.29 C ATOM 232 C ASP A 422 -20.504 -28.490 6.869 1.00 15.48 C ATOM 233 O ASP A 422 -20.657 -27.450 6.234 1.00 15.53 O ATOM 234 CB ASP A 422 -19.109 -28.343 8.923 1.00 15.30 C ATOM 235 CG ASP A 422 -19.045 -27.976 10.414 1.00 15.29 C ATOM 236 OD1 ASP A 422 -20.091 -27.714 11.061 1.00 14.78 O ATOM 237 OD2 ASP A 422 -17.917 -27.948 10.929 1.00 15.19 O ATOM 238 H ASP A 422 -20.723 -30.300 9.527 1.00 0.00 H ATOM 239 N ILE A 423 -20.318 -29.679 6.292 1.00 15.91 N ATOM 240 CA ILE A 423 -20.404 -29.837 4.841 1.00 16.55 C ATOM 241 C ILE A 423 -21.785 -29.394 4.336 1.00 17.33 C ATOM 242 O ILE A 423 -21.862 -28.587 3.404 1.00 16.53 O ATOM 243 CB ILE A 423 -20.122 -31.282 4.363 1.00 16.66 C ATOM 244 CG1 ILE A 423 -18.692 -31.713 4.724 1.00 17.11 C ATOM 245 CG2 ILE A 423 -20.307 -31.395 2.846 1.00 16.37 C ATOM 246 CD1 ILE A 423 -17.594 -30.921 4.024 1.00 16.57 C ATOM 247 H ILE A 423 -20.108 -30.507 6.885 1.00 0.00 H ATOM 248 N HIS A 424 -22.861 -29.898 4.951 1.00 18.04 N ATOM 249 CA HIS A 424 -24.229 -29.493 4.544 1.00 19.21 C ATOM 250 C HIS A 424 -24.461 -27.995 4.646 1.00 18.21 C ATOM 251 O HIS A 424 -25.042 -27.397 3.761 1.00 17.49 O ATOM 252 CB HIS A 424 -25.306 -30.234 5.342 1.00 20.61 C ATOM 253 CG HIS A 424 -25.545 -31.622 4.851 1.00 23.64 C ATOM 254 ND1 HIS A 424 -25.611 -32.714 5.692 1.00 25.51 N ATOM 255 CD2 HIS A 424 -25.686 -32.106 3.594 1.00 24.27 C ATOM 256 CE1 HIS A 424 -25.811 -33.805 4.977 1.00 25.42 C ATOM 257 NE2 HIS A 424 -25.854 -33.464 3.701 1.00 25.28 N ATOM 258 H HIS A 424 -22.737 -30.582 5.724 1.00 0.00 H ATOM 259 N ARG A 425 -23.997 -27.397 5.735 1.00 18.35 N ATOM 260 CA ARG A 425 -24.095 -25.955 5.929 1.00 18.29 C ATOM 261 C ARG A 425 -23.280 -25.183 4.883 1.00 18.18 C ATOM 262 O ARG A 425 -23.719 -24.145 4.383 1.00 16.92 O ATOM 263 CB ARG A 425 -23.620 -25.601 7.339 1.00 18.99 C ATOM 264 CG ARG A 425 -23.800 -24.146 7.729 1.00 19.93 C ATOM 265 CD ARG A 425 -23.604 -23.953 9.226 1.00 21.07 C ATOM 266 NE ARG A 425 -24.505 -24.813 10.006 1.00 22.86 N ATOM 267 CZ ARG A 425 -25.787 -24.543 10.289 1.00 23.30 C ATOM 268 NH1 ARG A 425 -26.366 -23.418 9.873 1.00 22.41 N ATOM 269 NH2 ARG A 425 -26.501 -25.415 11.005 1.00 23.67 N ATOM 270 HE ARG A 425 -24.115 -25.706 10.369 1.00 0.00 H ATOM 271 HH12 ARG A 425 -27.362 -23.230 10.104 1.00 0.00 H ATOM 272 HH11 ARG A 425 -25.822 -22.728 9.317 1.00 0.00 H ATOM 273 HH22 ARG A 425 -27.496 -25.213 11.229 1.00 0.00 H ATOM 274 HH21 ARG A 425 -26.062 -26.297 11.339 1.00 0.00 H ATOM 275 H ARG A 425 -23.549 -27.975 6.474 1.00 0.00 H ATOM 276 N SER A 426 -22.091 -25.689 4.562 1.00 18.40 N ATOM 277 CA SER A 426 -21.245 -25.058 3.538 1.00 18.66 C ATOM 278 C SER A 426 -21.963 -25.009 2.191 1.00 18.65 C ATOM 279 O SER A 426 -21.996 -23.967 1.541 1.00 18.72 O ATOM 280 CB SER A 426 -19.911 -25.793 3.372 1.00 18.20 C ATOM 281 OG SER A 426 -19.012 -24.996 2.623 1.00 17.90 O ATOM 282 HG SER A 426 -18.858 -24.141 3.097 1.00 0.00 H ATOM 283 H SER A 426 -21.754 -26.547 5.045 1.00 0.00 H ATOM 284 N ILE A 427 -22.549 -26.137 1.801 1.00 19.41 N ATOM 285 CA ILE A 427 -23.292 -26.254 0.539 1.00 19.85 C ATOM 286 C ILE A 427 -24.486 -25.301 0.551 1.00 20.99 C ATOM 287 O ILE A 427 -24.730 -24.589 -0.423 1.00 21.13 O ATOM 288 CB ILE A 427 -23.754 -27.710 0.297 1.00 19.51 C ATOM 289 CG1 ILE A 427 -22.539 -28.606 0.040 1.00 19.64 C ATOM 290 CG2 ILE A 427 -24.724 -27.789 -0.882 1.00 19.88 C ATOM 291 CD1 ILE A 427 -22.810 -30.093 0.188 1.00 19.43 C ATOM 292 H ILE A 427 -22.478 -26.973 2.416 1.00 0.00 H ATOM 293 N LYS A 428 -25.182 -25.257 1.684 1.00 21.52 N ATOM 294 CA LYS A 428 -26.395 -24.462 1.845 1.00 21.70 C ATOM 295 C LYS A 428 -26.120 -22.962 1.798 1.00 21.54 C ATOM 296 O LYS A 428 -26.868 -22.224 1.161 1.00 20.62 O ATOM 297 CB LYS A 428 -27.065 -24.835 3.172 1.00 22.70 C ATOM 298 CG LYS A 428 -28.480 -24.318 3.388 1.00 24.50 C ATOM 299 CD LYS A 428 -29.180 -25.202 4.412 1.00 25.41 C ATOM 300 CE LYS A 428 -30.507 -24.643 4.900 1.00 27.39 C ATOM 301 NZ LYS A 428 -31.377 -24.184 3.784 1.00 29.59 N ATOM 302 HZ1 LYS A 428 -30.890 -23.435 3.252 1.00 0.00 H ATOM 303 HZ2 LYS A 428 -31.579 -24.985 3.152 1.00 0.00 H ATOM 304 HZ3 LYS A 428 -32.268 -23.812 4.171 1.00 0.00 H ATOM 305 H LYS A 428 -24.845 -25.816 2.494 1.00 0.00 H ATOM 306 N TYR A 429 -25.054 -22.504 2.460 1.00 20.96 N ATOM 307 CA TYR A 429 -24.821 -21.062 2.593 1.00 21.18 C ATOM 308 C TYR A 429 -23.581 -20.549 1.868 1.00 20.89 C ATOM 309 O TYR A 429 -23.290 -19.361 1.930 1.00 20.63 O ATOM 310 CB TYR A 429 -24.807 -20.648 4.078 1.00 21.43 C ATOM 311 CG TYR A 429 -26.130 -20.923 4.766 1.00 21.69 C ATOM 312 CD1 TYR A 429 -27.278 -20.211 4.421 1.00 21.72 C ATOM 313 CD2 TYR A 429 -26.243 -21.913 5.732 1.00 21.93 C ATOM 314 CE1 TYR A 429 -28.498 -20.470 5.035 1.00 21.66 C ATOM 315 CE2 TYR A 429 -27.460 -22.178 6.351 1.00 21.94 C ATOM 316 CZ TYR A 429 -28.580 -21.451 6.002 1.00 21.88 C ATOM 317 OH TYR A 429 -29.789 -21.716 6.607 1.00 22.40 O ATOM 318 HH TYR A 429 -30.480 -21.108 6.242 1.00 0.00 H ATOM 319 H TYR A 429 -24.383 -23.176 2.885 1.00 0.00 H ATOM 320 N ASN A 430 -22.872 -21.426 1.163 1.00 21.11 N ATOM 321 CA ASN A 430 -21.689 -21.021 0.388 1.00 21.22 C ATOM 322 C ASN A 430 -20.653 -20.281 1.219 1.00 19.81 C ATOM 323 O ASN A 430 -20.144 -19.226 0.819 1.00 19.06 O ATOM 324 CB ASN A 430 -22.110 -20.185 -0.826 1.00 22.52 C ATOM 325 CG ASN A 430 -22.575 -21.043 -1.977 1.00 24.49 C ATOM 326 OD1 ASN A 430 -22.193 -22.210 -2.097 1.00 27.84 O ATOM 327 ND2 ASN A 430 -23.400 -20.476 -2.833 1.00 25.28 N ATOM 328 HD22 ASN A 430 -23.697 -19.489 -2.694 1.00 0.00 H ATOM 329 HD21 ASN A 430 -23.755 -21.015 -3.648 1.00 0.00 H ATOM 330 H ASN A 430 -23.162 -22.425 1.160 1.00 0.00 H ATOM 331 N ILE A 431 -20.357 -20.854 2.384 1.00 18.74 N ATOM 332 CA ILE A 431 -19.360 -20.327 3.295 1.00 18.14 C ATOM 333 C ILE A 431 -18.525 -21.481 3.862 1.00 17.18 C ATOM 334 O ILE A 431 -18.957 -22.628 3.865 1.00 16.81 O ATOM 335 CB ILE A 431 -20.009 -19.552 4.458 1.00 19.02 C ATOM 336 CG1 ILE A 431 -21.032 -20.452 5.179 1.00 19.22 C ATOM 337 CG2 ILE A 431 -20.638 -18.257 3.951 1.00 18.92 C ATOM 338 CD1 ILE A 431 -21.595 -19.855 6.444 1.00 19.89 C ATOM 339 H ILE A 431 -20.865 -21.721 2.653 1.00 0.00 H ATOM 340 N TRP A 432 -17.322 -21.162 4.319 1.00 16.42 N ATOM 341 CA TRP A 432 -16.481 -22.116 5.019 1.00 15.90 C ATOM 342 C TRP A 432 -15.608 -21.377 6.028 1.00 15.38 C ATOM 343 O TRP A 432 -15.515 -20.152 6.009 1.00 14.70 O ATOM 344 CB TRP A 432 -15.604 -22.904 4.032 1.00 15.75 C ATOM 345 CG TRP A 432 -14.922 -24.105 4.653 1.00 15.25 C ATOM 346 CD1 TRP A 432 -13.584 -24.306 4.802 1.00 15.40 C ATOM 347 CD2 TRP A 432 -15.563 -25.241 5.237 1.00 15.43 C ATOM 348 NE1 TRP A 432 -13.346 -25.508 5.434 1.00 15.14 N ATOM 349 CE2 TRP A 432 -14.548 -26.103 5.707 1.00 15.29 C ATOM 350 CE3 TRP A 432 -16.898 -25.622 5.400 1.00 15.40 C ATOM 351 CZ2 TRP A 432 -14.831 -27.322 6.327 1.00 15.35 C ATOM 352 CZ3 TRP A 432 -17.178 -26.833 6.021 1.00 15.62 C ATOM 353 CH2 TRP A 432 -16.151 -27.667 6.475 1.00 15.40 C ATOM 354 HE1 TRP A 432 -12.410 -25.897 5.665 1.00 0.00 H ATOM 355 H TRP A 432 -16.969 -20.195 4.171 1.00 0.00 H ATOM 356 N CYS A 433 -14.988 -22.138 6.918 1.00 14.92 N ATOM 357 CA CYS A 433 -13.947 -21.614 7.793 1.00 15.47 C ATOM 358 C CYS A 433 -13.000 -22.762 8.136 1.00 15.18 C ATOM 359 O CYS A 433 -13.444 -23.891 8.337 1.00 14.29 O ATOM 360 CB CYS A 433 -14.557 -20.998 9.063 1.00 15.60 C ATOM 361 SG CYS A 433 -13.330 -20.264 10.176 1.00 16.65 S ATOM 362 H CYS A 433 -15.253 -23.141 6.995 1.00 0.00 H ATOM 363 N SER A 434 -11.702 -22.479 8.162 1.00 15.45 N ATOM 364 CA SER A 434 -10.704 -23.476 8.540 1.00 15.95 C ATOM 365 C SER A 434 -10.104 -23.122 9.908 1.00 16.71 C ATOM 366 O SER A 434 -10.627 -22.258 10.626 1.00 15.78 O ATOM 367 CB SER A 434 -9.605 -23.564 7.472 1.00 16.08 C ATOM 368 OG SER A 434 -8.710 -24.638 7.743 1.00 16.18 O ATOM 369 HG SER A 434 -9.213 -25.491 7.751 1.00 0.00 H ATOM 370 H SER A 434 -11.388 -21.521 7.906 1.00 0.00 H ATOM 371 N THR A 435 -9.010 -23.797 10.259 1.00 17.71 N ATOM 372 CA THR A 435 -8.204 -23.443 11.433 1.00 18.74 C ATOM 373 C THR A 435 -7.590 -22.073 11.219 1.00 19.90 C ATOM 374 O THR A 435 -7.627 -21.545 10.102 1.00 18.94 O ATOM 375 CB THR A 435 -7.039 -24.425 11.640 1.00 18.85 C ATOM 376 OG1 THR A 435 -6.242 -24.489 10.448 1.00 18.72 O ATOM 377 CG2 THR A 435 -7.554 -25.814 11.972 1.00 19.80 C ATOM 378 HG1 THR A 435 -6.803 -24.799 9.694 1.00 0.00 H ATOM 379 H THR A 435 -8.716 -24.607 9.677 1.00 0.00 H ATOM 380 N GLU A 436 -6.986 -21.509 12.264 1.00 21.24 N ATOM 381 CA GLU A 436 -6.276 -20.249 12.093 1.00 22.28 C ATOM 382 C GLU A 436 -5.188 -20.393 11.022 1.00 21.89 C ATOM 383 O GLU A 436 -5.128 -19.585 10.091 1.00 20.43 O ATOM 384 CB GLU A 436 -5.675 -19.731 13.399 1.00 24.48 C ATOM 385 CG GLU A 436 -5.190 -18.290 13.262 1.00 27.34 C ATOM 386 CD GLU A 436 -4.436 -17.769 14.476 1.00 29.63 C ATOM 387 OE1 GLU A 436 -4.559 -18.358 15.569 1.00 31.93 O ATOM 388 OE2 GLU A 436 -3.718 -16.752 14.331 1.00 31.45 O ATOM 389 H GLU A 436 -7.021 -21.966 13.197 1.00 0.00 H ATOM 390 N HIS A 437 -4.350 -21.422 11.138 1.00 22.25 N ATOM 391 CA HIS A 437 -3.240 -21.586 10.199 1.00 22.98 C ATOM 392 C HIS A 437 -3.736 -22.026 8.812 1.00 22.39 C ATOM 393 O HIS A 437 -3.140 -21.655 7.797 1.00 23.24 O ATOM 394 CB HIS A 437 -2.149 -22.517 10.760 1.00 24.37 C ATOM 395 CG HIS A 437 -2.401 -23.971 10.523 1.00 26.33 C ATOM 396 ND1 HIS A 437 -3.136 -24.753 11.388 1.00 27.56 N ATOM 397 CD2 HIS A 437 -2.008 -24.791 9.517 1.00 27.39 C ATOM 398 CE1 HIS A 437 -3.188 -25.991 10.926 1.00 27.76 C ATOM 399 NE2 HIS A 437 -2.515 -26.039 9.790 1.00 27.96 N ATOM 400 H HIS A 437 -4.486 -22.114 11.902 1.00 0.00 H ATOM 401 N GLY A 438 -4.829 -22.790 8.768 1.00 21.11 N ATOM 402 CA GLY A 438 -5.487 -23.136 7.502 1.00 20.49 C ATOM 403 C GLY A 438 -6.023 -21.896 6.809 1.00 19.92 C ATOM 404 O GLY A 438 -5.718 -21.630 5.635 1.00 19.36 O ATOM 405 H GLY A 438 -5.227 -23.152 9.658 1.00 0.00 H ATOM 406 N ASN A 439 -6.806 -21.114 7.544 1.00 19.32 N ATOM 407 CA ASN A 439 -7.310 -19.842 7.034 1.00 19.14 C ATOM 408 C ASN A 439 -6.207 -18.959 6.445 1.00 19.35 C ATOM 409 O ASN A 439 -6.364 -18.422 5.355 1.00 19.36 O ATOM 410 CB ASN A 439 -8.066 -19.077 8.124 1.00 18.81 C ATOM 411 CG ASN A 439 -9.508 -19.543 8.287 1.00 18.86 C ATOM 412 OD1 ASN A 439 -10.053 -20.272 7.447 1.00 18.31 O ATOM 413 ND2 ASN A 439 -10.141 -19.107 9.374 1.00 18.48 N ATOM 414 HD22 ASN A 439 -9.646 -18.496 10.054 1.00 0.00 H ATOM 415 HD21 ASN A 439 -11.131 -19.377 9.543 1.00 0.00 H ATOM 416 H ASN A 439 -7.066 -21.415 8.505 1.00 0.00 H ATOM 417 N LYS A 440 -5.088 -18.834 7.152 1.00 20.18 N ATOM 418 CA LYS A 440 -3.976 -18.010 6.676 1.00 21.12 C ATOM 419 C LYS A 440 -3.395 -18.512 5.354 1.00 20.75 C ATOM 420 O LYS A 440 -3.109 -17.721 4.459 1.00 19.92 O ATOM 421 CB LYS A 440 -2.887 -17.909 7.746 1.00 22.53 C ATOM 422 CG LYS A 440 -3.256 -16.962 8.877 1.00 24.07 C ATOM 423 CD LYS A 440 -2.219 -16.956 9.984 1.00 26.10 C ATOM 424 CE LYS A 440 -2.613 -15.995 11.098 1.00 27.65 C ATOM 425 NZ LYS A 440 -1.884 -16.313 12.357 1.00 28.89 N ATOM 426 HZ1 LYS A 440 -2.114 -17.283 12.654 1.00 0.00 H ATOM 427 HZ2 LYS A 440 -0.860 -16.234 12.193 1.00 0.00 H ATOM 428 HZ3 LYS A 440 -2.170 -15.644 13.100 1.00 0.00 H ATOM 429 H LYS A 440 -5.001 -19.332 8.061 1.00 0.00 H ATOM 430 N ARG A 441 -3.233 -19.823 5.243 1.00 20.78 N ATOM 431 CA ARG A 441 -2.759 -20.448 4.008 1.00 21.95 C ATOM 432 C ARG A 441 -3.675 -20.154 2.828 1.00 20.59 C ATOM 433 O ARG A 441 -3.222 -19.768 1.746 1.00 19.23 O ATOM 434 CB ARG A 441 -2.625 -21.971 4.186 1.00 24.55 C ATOM 435 CG ARG A 441 -1.219 -22.500 3.974 1.00 27.53 C ATOM 436 CD ARG A 441 -0.724 -23.376 5.116 1.00 30.03 C ATOM 437 NE ARG A 441 -1.436 -24.644 5.218 1.00 31.88 N ATOM 438 CZ ARG A 441 -0.972 -25.734 5.831 1.00 33.94 C ATOM 439 NH1 ARG A 441 0.231 -25.749 6.405 1.00 35.19 N ATOM 440 NH2 ARG A 441 -1.716 -26.832 5.857 1.00 34.55 N ATOM 441 HE ARG A 441 -2.377 -24.703 4.780 1.00 0.00 H ATOM 442 HH12 ARG A 441 0.571 -26.611 6.877 1.00 0.00 H ATOM 443 HH11 ARG A 441 0.829 -24.899 6.381 1.00 0.00 H ATOM 444 HH22 ARG A 441 -1.364 -27.688 6.332 1.00 0.00 H ATOM 445 HH21 ARG A 441 -2.651 -26.837 5.402 1.00 0.00 H ATOM 446 H ARG A 441 -3.450 -20.427 6.061 1.00 0.00 H ATOM 447 N LEU A 442 -4.968 -20.342 3.050 1.00 19.61 N ATOM 448 CA LEU A 442 -5.966 -20.137 2.013 1.00 19.31 C ATOM 449 C LEU A 442 -6.066 -18.674 1.640 1.00 18.74 C ATOM 450 O LEU A 442 -6.199 -18.340 0.473 1.00 18.54 O ATOM 451 CB LEU A 442 -7.328 -20.650 2.487 1.00 19.16 C ATOM 452 CG LEU A 442 -7.378 -22.147 2.809 1.00 19.38 C ATOM 453 CD1 LEU A 442 -8.717 -22.508 3.425 1.00 19.53 C ATOM 454 CD2 LEU A 442 -7.123 -22.964 1.549 1.00 19.22 C ATOM 455 H LEU A 442 -5.278 -20.646 3.995 1.00 0.00 H ATOM 456 N ASP A 443 -6.002 -17.804 2.639 1.00 19.07 N ATOM 457 CA ASP A 443 -6.150 -16.374 2.402 1.00 19.10 C ATOM 458 C ASP A 443 -4.991 -15.851 1.560 1.00 19.29 C ATOM 459 O ASP A 443 -5.200 -15.072 0.631 1.00 18.92 O ATOM 460 CB ASP A 443 -6.235 -15.623 3.729 1.00 19.59 C ATOM 461 CG ASP A 443 -6.813 -14.216 3.583 1.00 19.46 C ATOM 462 OD1 ASP A 443 -7.788 -14.014 2.830 1.00 19.96 O ATOM 463 OD2 ASP A 443 -6.292 -13.318 4.251 1.00 19.68 O ATOM 464 H ASP A 443 -5.844 -18.148 3.608 1.00 0.00 H ATOM 465 N ALA A 444 -3.780 -16.295 1.881 1.00 19.71 N ATOM 466 CA ALA A 444 -2.573 -15.894 1.144 1.00 20.63 C ATOM 467 C ALA A 444 -2.649 -16.330 -0.315 1.00 21.03 C ATOM 468 O ALA A 444 -2.305 -15.564 -1.213 1.00 21.40 O ATOM 469 CB ALA A 444 -1.329 -16.481 1.807 1.00 21.22 C ATOM 470 H ALA A 444 -3.683 -16.950 2.683 1.00 0.00 H ATOM 471 N ALA A 445 -3.123 -17.552 -0.544 1.00 20.61 N ATOM 472 CA ALA A 445 -3.287 -18.075 -1.898 1.00 20.82 C ATOM 473 C ALA A 445 -4.332 -17.303 -2.682 1.00 21.12 C ATOM 474 O ALA A 445 -4.130 -17.011 -3.857 1.00 19.77 O ATOM 475 CB ALA A 445 -3.666 -19.547 -1.858 1.00 21.14 C ATOM 476 H ALA A 445 -3.384 -18.152 0.264 1.00 0.00 H ATOM 477 N TYR A 446 -5.464 -17.006 -2.038 1.00 21.28 N ATOM 478 CA TYR A 446 -6.535 -16.258 -2.686 1.00 21.89 C ATOM 479 C TYR A 446 -6.084 -14.845 -3.068 1.00 22.52 C ATOM 480 O TYR A 446 -6.369 -14.366 -4.161 1.00 22.15 O ATOM 481 CB TYR A 446 -7.774 -16.170 -1.783 1.00 21.60 C ATOM 482 CG TYR A 446 -8.950 -15.508 -2.468 1.00 21.60 C ATOM 483 CD1 TYR A 446 -9.721 -16.204 -3.391 1.00 21.61 C ATOM 484 CD2 TYR A 446 -9.277 -14.174 -2.211 1.00 21.29 C ATOM 485 CE1 TYR A 446 -10.789 -15.597 -4.037 1.00 21.34 C ATOM 486 CE2 TYR A 446 -10.339 -13.560 -2.857 1.00 21.31 C ATOM 487 CZ TYR A 446 -11.091 -14.278 -3.760 1.00 21.48 C ATOM 488 OH TYR A 446 -12.152 -13.676 -4.390 1.00 22.36 O ATOM 489 HH TYR A 446 -12.582 -14.325 -5.002 1.00 0.00 H ATOM 490 H TYR A 446 -5.584 -17.315 -1.052 1.00 0.00 H ATOM 491 N ARG A 447 -5.397 -14.183 -2.149 1.00 24.26 N ATOM 492 CA ARG A 447 -5.001 -12.791 -2.342 1.00 26.67 C ATOM 493 C ARG A 447 -3.888 -12.639 -3.372 1.00 27.35 C ATOM 494 O ARG A 447 -3.885 -11.673 -4.128 1.00 26.91 O ATOM 495 CB ARG A 447 -4.580 -12.163 -1.015 1.00 27.54 C ATOM 496 CG ARG A 447 -5.746 -11.854 -0.092 1.00 29.81 C ATOM 497 CD ARG A 447 -5.249 -11.502 1.299 1.00 32.08 C ATOM 498 NE ARG A 447 -6.327 -11.006 2.146 1.00 34.96 N ATOM 499 CZ ARG A 447 -6.790 -9.754 2.149 1.00 36.17 C ATOM 500 NH1 ARG A 447 -6.260 -8.829 1.346 1.00 36.61 N ATOM 501 NH2 ARG A 447 -7.795 -9.424 2.969 1.00 34.04 N ATOM 502 HE ARG A 447 -6.771 -11.682 2.800 1.00 0.00 H ATOM 503 HH12 ARG A 447 -6.630 -7.857 1.358 1.00 0.00 H ATOM 504 HH11 ARG A 447 -5.478 -9.080 0.709 1.00 0.00 H ATOM 505 HH22 ARG A 447 -8.161 -8.451 2.977 1.00 0.00 H ATOM 506 HH21 ARG A 447 -8.210 -10.141 3.598 1.00 0.00 H ATOM 507 H ARG A 447 -5.133 -14.667 -1.267 1.00 0.00 H ATOM 508 N SER A 448 -2.949 -13.583 -3.401 1.00 28.05 N ATOM 509 CA SER A 448 -1.870 -13.544 -4.395 1.00 30.53 C ATOM 510 C SER A 448 -2.348 -14.018 -5.776 1.00 32.27 C ATOM 511 O SER A 448 -1.728 -13.696 -6.785 1.00 31.41 O ATOM 512 CB SER A 448 -0.666 -14.373 -3.933 1.00 30.74 C ATOM 513 OG SER A 448 -0.948 -15.764 -3.983 1.00 31.37 O ATOM 514 HG SER A 448 -1.170 -16.021 -4.913 1.00 0.00 H ATOM 515 H SER A 448 -2.981 -14.359 -2.709 1.00 0.00 H ATOM 516 N MET A 449 -3.439 -14.783 -5.826 1.00 33.63 N ATOM 517 CA MET A 449 -4.018 -15.174 -7.109 1.00 35.77 C ATOM 518 C MET A 449 -4.480 -13.926 -7.863 1.00 36.85 C ATOM 519 O MET A 449 -4.400 -13.875 -9.087 1.00 33.82 O ATOM 520 CB MET A 449 -5.197 -16.153 -6.942 1.00 37.79 C ATOM 521 CG MET A 449 -4.867 -17.648 -7.028 1.00 38.83 C ATOM 522 SD MET A 449 -4.073 -18.284 -8.533 1.00 41.40 S ATOM 523 CE MET A 449 -4.515 -17.071 -9.756 1.00 39.62 C ATOM 524 H MET A 449 -3.883 -15.105 -4.942 1.00 0.00 H ATOM 525 N ASN A 450 -4.959 -12.924 -7.124 1.00 39.58 N ATOM 526 CA ASN A 450 -5.398 -11.653 -7.711 1.00 42.24 C ATOM 527 C ASN A 450 -6.347 -11.847 -8.887 1.00 42.38 C ATOM 528 O ASN A 450 -6.177 -11.231 -9.937 1.00 42.14 O ATOM 529 CB ASN A 450 -4.191 -10.810 -8.142 1.00 44.05 C ATOM 530 CG ASN A 450 -3.599 -10.015 -6.998 1.00 47.21 C ATOM 531 OD1 ASN A 450 -4.160 -8.998 -6.584 1.00 49.17 O ATOM 532 ND2 ASN A 450 -2.457 -10.468 -6.480 1.00 48.66 N ATOM 533 HD22 ASN A 450 -2.019 -11.331 -6.861 1.00 0.00 H ATOM 534 HD21 ASN A 450 -2.004 -9.958 -5.695 1.00 0.00 H ATOM 535 H ASN A 450 -5.024 -13.048 -6.093 1.00 0.00 H ATOM 536 N GLY A 451 -7.321 -12.737 -8.710 1.00 42.71 N ATOM 537 CA GLY A 451 -8.360 -12.970 -9.710 1.00 42.79 C ATOM 538 C GLY A 451 -7.937 -13.556 -11.050 1.00 43.55 C ATOM 539 O GLY A 451 -8.775 -13.683 -11.946 1.00 45.44 O ATOM 540 H GLY A 451 -7.343 -13.287 -7.827 1.00 0.00 H ATOM 541 N LYS A 452 -6.668 -13.936 -11.206 1.00 43.73 N ATOM 542 CA LYS A 452 -6.186 -14.462 -12.498 1.00 42.40 C ATOM 543 C LYS A 452 -6.248 -15.992 -12.596 1.00 38.42 C ATOM 544 O LYS A 452 -5.772 -16.586 -13.563 1.00 38.69 O ATOM 545 CB LYS A 452 -4.778 -13.934 -12.809 1.00 45.18 C ATOM 546 CG LYS A 452 -3.645 -14.545 -12.004 1.00 48.21 C ATOM 547 CD LYS A 452 -2.529 -13.533 -11.764 1.00 49.94 C ATOM 548 CE LYS A 452 -1.230 -14.192 -11.310 1.00 52.53 C ATOM 549 NZ LYS A 452 -1.366 -15.062 -10.102 1.00 53.81 N ATOM 550 HZ1 LYS A 452 -1.712 -14.493 -9.304 1.00 0.00 H ATOM 551 HZ2 LYS A 452 -2.041 -15.828 -10.302 1.00 0.00 H ATOM 552 HZ3 LYS A 452 -0.439 -15.469 -9.863 1.00 0.00 H ATOM 553 H LYS A 452 -6.008 -13.861 -10.405 1.00 0.00 H ATOM 554 N GLY A 453 -6.866 -16.621 -11.603 1.00 33.32 N ATOM 555 CA GLY A 453 -7.052 -18.062 -11.586 1.00 29.79 C ATOM 556 C GLY A 453 -7.844 -18.460 -10.353 1.00 27.56 C ATOM 557 O GLY A 453 -7.976 -17.669 -9.418 1.00 25.53 O ATOM 558 H GLY A 453 -7.231 -16.060 -10.807 1.00 0.00 H ATOM 559 N PRO A 454 -8.388 -19.684 -10.345 1.00 25.26 N ATOM 560 CA PRO A 454 -9.234 -20.108 -9.247 1.00 24.03 C ATOM 561 C PRO A 454 -8.442 -20.742 -8.096 1.00 22.84 C ATOM 562 O PRO A 454 -7.349 -21.290 -8.314 1.00 22.39 O ATOM 563 CB PRO A 454 -10.124 -21.151 -9.912 1.00 24.49 C ATOM 564 CG PRO A 454 -9.210 -21.808 -10.898 1.00 25.65 C ATOM 565 CD PRO A 454 -8.267 -20.736 -11.375 1.00 25.48 C ATOM 566 N VAL A 455 -8.984 -20.644 -6.883 1.00 21.07 N ATOM 567 CA VAL A 455 -8.525 -21.451 -5.762 1.00 19.67 C ATOM 568 C VAL A 455 -9.609 -22.486 -5.531 1.00 19.05 C ATOM 569 O VAL A 455 -10.728 -22.125 -5.145 1.00 19.21 O ATOM 570 CB VAL A 455 -8.305 -20.623 -4.481 1.00 19.99 C ATOM 571 CG1 VAL A 455 -8.014 -21.538 -3.294 1.00 20.04 C ATOM 572 CG2 VAL A 455 -7.166 -19.629 -4.672 1.00 20.40 C ATOM 573 H VAL A 455 -9.760 -19.969 -6.732 1.00 0.00 H ATOM 574 N TYR A 456 -9.299 -23.752 -5.808 1.00 17.79 N ATOM 575 CA TYR A 456 -10.249 -24.836 -5.627 1.00 17.85 C ATOM 576 C TYR A 456 -10.006 -25.552 -4.294 1.00 17.57 C ATOM 577 O TYR A 456 -8.880 -25.629 -3.800 1.00 17.02 O ATOM 578 CB TYR A 456 -10.192 -25.847 -6.784 1.00 18.55 C ATOM 579 CG TYR A 456 -10.719 -25.337 -8.128 1.00 19.51 C ATOM 580 CD1 TYR A 456 -11.926 -24.653 -8.218 1.00 20.00 C ATOM 581 CD2 TYR A 456 -10.009 -25.559 -9.313 1.00 20.25 C ATOM 582 CE1 TYR A 456 -12.402 -24.189 -9.438 1.00 20.51 C ATOM 583 CE2 TYR A 456 -10.479 -25.096 -10.541 1.00 20.23 C ATOM 584 CZ TYR A 456 -11.678 -24.419 -10.598 1.00 20.87 C ATOM 585 OH TYR A 456 -12.170 -23.957 -11.803 1.00 21.83 O ATOM 586 HH TYR A 456 -13.034 -23.499 -11.651 1.00 0.00 H ATOM 587 H TYR A 456 -8.347 -23.971 -6.165 1.00 0.00 H ATOM 588 N LEU A 457 -11.088 -26.076 -3.735 1.00 17.29 N ATOM 589 CA LEU A 457 -11.075 -26.766 -2.456 1.00 17.06 C ATOM 590 C LEU A 457 -11.675 -28.148 -2.669 1.00 16.83 C ATOM 591 O LEU A 457 -12.812 -28.263 -3.160 1.00 17.12 O ATOM 592 CB LEU A 457 -11.902 -25.986 -1.439 1.00 16.77 C ATOM 593 CG LEU A 457 -11.529 -24.516 -1.218 1.00 16.97 C ATOM 594 CD1 LEU A 457 -12.446 -23.871 -0.185 1.00 16.93 C ATOM 595 CD2 LEU A 457 -10.082 -24.351 -0.793 1.00 16.72 C ATOM 596 H LEU A 457 -11.994 -25.989 -4.238 1.00 0.00 H ATOM 597 N LEU A 458 -10.905 -29.184 -2.342 1.00 16.11 N ATOM 598 CA LEU A 458 -11.351 -30.569 -2.470 1.00 15.95 C ATOM 599 C LEU A 458 -11.744 -31.089 -1.086 1.00 15.60 C ATOM 600 O LEU A 458 -10.874 -31.299 -0.238 1.00 14.48 O ATOM 601 CB LEU A 458 -10.249 -31.441 -3.065 1.00 16.21 C ATOM 602 CG LEU A 458 -9.513 -30.885 -4.291 1.00 16.85 C ATOM 603 CD1 LEU A 458 -8.463 -31.871 -4.768 1.00 16.60 C ATOM 604 CD2 LEU A 458 -10.482 -30.563 -5.414 1.00 17.15 C ATOM 605 H LEU A 458 -9.947 -29.000 -1.981 1.00 0.00 H ATOM 606 N PHE A 459 -13.047 -31.294 -0.884 1.00 15.37 N ATOM 607 CA PHE A 459 -13.626 -31.577 0.436 1.00 15.80 C ATOM 608 C PHE A 459 -13.773 -33.073 0.720 1.00 16.31 C ATOM 609 O PHE A 459 -14.160 -33.858 -0.153 1.00 16.39 O ATOM 610 CB PHE A 459 -15.016 -30.947 0.567 1.00 15.61 C ATOM 611 CG PHE A 459 -15.008 -29.478 0.868 1.00 15.35 C ATOM 612 CD1 PHE A 459 -14.848 -28.547 -0.150 1.00 15.46 C ATOM 613 CD2 PHE A 459 -15.206 -29.024 2.156 1.00 15.62 C ATOM 614 CE1 PHE A 459 -14.866 -27.194 0.117 1.00 15.57 C ATOM 615 CE2 PHE A 459 -15.225 -27.668 2.432 1.00 15.74 C ATOM 616 CZ PHE A 459 -15.055 -26.753 1.411 1.00 15.58 C ATOM 617 H PHE A 459 -13.686 -31.251 -1.704 1.00 0.00 H ATOM 618 N SER A 460 -13.511 -33.443 1.967 1.00 16.72 N ATOM 619 CA SER A 460 -13.623 -34.816 2.409 1.00 17.48 C ATOM 620 C SER A 460 -13.835 -34.835 3.917 1.00 18.17 C ATOM 621 O SER A 460 -13.137 -34.134 4.657 1.00 18.73 O ATOM 622 CB SER A 460 -12.350 -35.578 2.049 1.00 17.72 C ATOM 623 OG SER A 460 -12.321 -36.850 2.669 1.00 18.45 O ATOM 624 HG SER A 460 -11.486 -37.319 2.418 1.00 0.00 H ATOM 625 H SER A 460 -13.214 -32.719 2.652 1.00 0.00 H ATOM 626 N VAL A 461 -14.797 -35.630 4.369 1.00 18.84 N ATOM 627 CA VAL A 461 -15.053 -35.789 5.802 1.00 19.58 C ATOM 628 C VAL A 461 -14.098 -36.839 6.363 1.00 19.79 C ATOM 629 O VAL A 461 -13.968 -37.920 5.804 1.00 19.49 O ATOM 630 CB VAL A 461 -16.518 -36.193 6.091 1.00 19.81 C ATOM 631 CG1 VAL A 461 -16.730 -36.463 7.577 1.00 20.22 C ATOM 632 CG2 VAL A 461 -17.468 -35.104 5.629 1.00 19.79 C ATOM 633 H VAL A 461 -15.384 -36.153 3.688 1.00 0.00 H ATOM 634 N ASN A 462 -13.422 -36.490 7.452 1.00 20.61 N ATOM 635 CA ASN A 462 -12.503 -37.388 8.148 1.00 22.53 C ATOM 636 C ASN A 462 -13.131 -38.742 8.452 1.00 23.38 C ATOM 637 O ASN A 462 -14.194 -38.809 9.069 1.00 22.69 O ATOM 638 CB ASN A 462 -12.028 -36.749 9.460 1.00 22.72 C ATOM 639 CG ASN A 462 -11.073 -35.596 9.227 1.00 23.78 C ATOM 640 OD1 ASN A 462 -10.278 -35.635 8.302 1.00 24.17 O ATOM 641 ND2 ASN A 462 -11.150 -34.567 10.060 1.00 23.56 N ATOM 642 HD22 ASN A 462 -11.843 -34.576 10.835 1.00 0.00 H ATOM 643 HD21 ASN A 462 -10.517 -33.751 9.938 1.00 0.00 H ATOM 644 H ASN A 462 -13.553 -35.529 7.828 1.00 0.00 H ATOM 645 N GLY A 463 -12.479 -39.805 7.991 1.00 25.22 N ATOM 646 CA GLY A 463 -12.934 -41.179 8.252 1.00 27.54 C ATOM 647 C GLY A 463 -14.045 -41.676 7.337 1.00 29.09 C ATOM 648 O GLY A 463 -14.427 -42.841 7.413 1.00 32.20 O ATOM 649 H GLY A 463 -11.618 -39.660 7.426 1.00 0.00 H ATOM 650 N SER A 464 -14.560 -40.807 6.467 1.00 28.94 N ATOM 651 CA SER A 464 -15.702 -41.142 5.606 1.00 27.49 C ATOM 652 C SER A 464 -15.379 -42.140 4.483 1.00 27.41 C ATOM 653 O SER A 464 -16.279 -42.791 3.948 1.00 27.05 O ATOM 654 CB SER A 464 -16.245 -39.869 4.967 1.00 27.62 C ATOM 655 OG SER A 464 -15.274 -39.316 4.086 1.00 27.29 O ATOM 656 HG SER A 464 -14.452 -39.101 4.595 1.00 0.00 H ATOM 657 H SER A 464 -14.139 -39.859 6.395 1.00 0.00 H ATOM 658 N GLY A 465 -14.111 -42.232 4.100 1.00 26.84 N ATOM 659 CA GLY A 465 -13.711 -43.053 2.961 1.00 27.57 C ATOM 660 C GLY A 465 -13.919 -42.451 1.567 1.00 27.30 C ATOM 661 O GLY A 465 -13.582 -43.095 0.577 1.00 28.10 O ATOM 662 H GLY A 465 -13.384 -41.706 4.625 1.00 0.00 H ATOM 663 N HIS A 466 -14.465 -41.235 1.471 1.00 26.34 N ATOM 664 CA HIS A 466 -14.648 -40.572 0.169 1.00 26.04 C ATOM 665 C HIS A 466 -14.484 -39.058 0.238 1.00 25.06 C ATOM 666 O HIS A 466 -14.663 -38.441 1.290 1.00 25.09 O ATOM 667 CB HIS A 466 -16.036 -40.877 -0.415 1.00 26.94 C ATOM 668 CG HIS A 466 -17.171 -40.399 0.438 1.00 27.64 C ATOM 669 ND1 HIS A 466 -17.689 -41.149 1.470 1.00 28.76 N ATOM 670 CD2 HIS A 466 -17.889 -39.251 0.412 1.00 28.91 C ATOM 671 CE1 HIS A 466 -18.675 -40.484 2.047 1.00 29.03 C ATOM 672 NE2 HIS A 466 -18.818 -39.329 1.423 1.00 29.24 N ATOM 673 H HIS A 466 -14.768 -40.745 2.337 1.00 0.00 H ATOM 674 N PHE A 467 -14.155 -38.461 -0.900 1.00 23.55 N ATOM 675 CA PHE A 467 -14.332 -37.031 -1.068 1.00 23.25 C ATOM 676 C PHE A 467 -15.800 -36.777 -1.335 1.00 22.25 C ATOM 677 O PHE A 467 -16.489 -37.639 -1.872 1.00 22.29 O ATOM 678 CB PHE A 467 -13.449 -36.486 -2.183 1.00 24.06 C ATOM 679 CG PHE A 467 -12.052 -36.196 -1.732 1.00 24.89 C ATOM 680 CD1 PHE A 467 -11.222 -37.228 -1.307 1.00 25.89 C ATOM 681 CD2 PHE A 467 -11.572 -34.895 -1.696 1.00 25.25 C ATOM 682 CE1 PHE A 467 -9.931 -36.966 -0.874 1.00 25.96 C ATOM 683 CE2 PHE A 467 -10.285 -34.631 -1.260 1.00 25.61 C ATOM 684 CZ PHE A 467 -9.465 -35.665 -0.851 1.00 25.54 C ATOM 685 H PHE A 467 -13.765 -39.025 -1.682 1.00 0.00 H ATOM 686 N CYS A 468 -16.287 -35.614 -0.920 1.00 21.33 N ATOM 687 CA CYS A 468 -17.700 -35.291 -1.057 1.00 20.75 C ATOM 688 C CYS A 468 -17.962 -34.140 -2.017 1.00 20.28 C ATOM 689 O CYS A 468 -19.116 -33.800 -2.264 1.00 20.12 O ATOM 690 CB CYS A 468 -18.328 -35.006 0.318 1.00 20.41 C ATOM 691 SG CYS A 468 -17.507 -33.712 1.280 1.00 20.18 S ATOM 692 H CYS A 468 -15.646 -34.919 -0.488 1.00 0.00 H ATOM 693 N GLY A 469 -16.916 -33.537 -2.573 1.00 20.17 N ATOM 694 CA GLY A 469 -17.132 -32.512 -3.596 1.00 19.47 C ATOM 695 C GLY A 469 -16.023 -31.498 -3.763 1.00 18.86 C ATOM 696 O GLY A 469 -14.940 -31.654 -3.217 1.00 18.75 O ATOM 697 H GLY A 469 -15.950 -33.792 -2.283 1.00 0.00 H ATOM 698 N VAL A 470 -16.329 -30.449 -4.522 1.00 18.88 N ATOM 699 CA VAL A 470 -15.372 -29.411 -4.893 1.00 18.47 C ATOM 700 C VAL A 470 -16.058 -28.057 -4.819 1.00 18.16 C ATOM 701 O VAL A 470 -17.190 -27.904 -5.270 1.00 18.93 O ATOM 702 CB VAL A 470 -14.848 -29.615 -6.333 1.00 18.50 C ATOM 703 CG1 VAL A 470 -13.876 -28.509 -6.711 1.00 18.80 C ATOM 704 CG2 VAL A 470 -14.206 -30.982 -6.488 1.00 18.32 C ATOM 705 H VAL A 470 -17.305 -30.364 -4.871 1.00 0.00 H ATOM 706 N ALA A 471 -15.379 -27.081 -4.231 1.00 18.05 N ATOM 707 CA ALA A 471 -15.837 -25.701 -4.248 1.00 17.54 C ATOM 708 C ALA A 471 -14.677 -24.795 -4.611 1.00 17.43 C ATOM 709 O ALA A 471 -13.515 -25.182 -4.503 1.00 16.72 O ATOM 710 CB ALA A 471 -16.421 -25.300 -2.904 1.00 17.70 C ATOM 711 H ALA A 471 -14.490 -27.310 -3.742 1.00 0.00 H ATOM 712 N GLU A 472 -15.007 -23.597 -5.073 1.00 17.30 N ATOM 713 CA GLU A 472 -14.019 -22.572 -5.338 1.00 17.74 C ATOM 714 C GLU A 472 -14.099 -21.540 -4.234 1.00 17.85 C ATOM 715 O GLU A 472 -15.188 -21.162 -3.826 1.00 17.43 O ATOM 716 CB GLU A 472 -14.291 -21.901 -6.691 1.00 18.24 C ATOM 717 CG GLU A 472 -13.238 -20.882 -7.077 1.00 19.06 C ATOM 718 CD GLU A 472 -13.516 -20.185 -8.403 1.00 19.80 C ATOM 719 OE1 GLU A 472 -14.424 -20.609 -9.142 1.00 19.75 O ATOM 720 OE2 GLU A 472 -12.814 -19.192 -8.692 1.00 20.49 O ATOM 721 H GLU A 472 -16.010 -23.386 -5.251 1.00 0.00 H ATOM 722 N MET A 473 -12.942 -21.087 -3.755 1.00 18.50 N ATOM 723 CA MET A 473 -12.872 -20.007 -2.781 1.00 19.09 C ATOM 724 C MET A 473 -13.252 -18.709 -3.495 1.00 20.25 C ATOM 725 O MET A 473 -12.745 -18.438 -4.578 1.00 19.47 O ATOM 726 CB MET A 473 -11.459 -19.912 -2.223 1.00 18.86 C ATOM 727 CG MET A 473 -11.275 -18.928 -1.098 1.00 18.82 C ATOM 728 SD MET A 473 -9.667 -19.198 -0.335 1.00 19.20 S ATOM 729 CE MET A 473 -9.660 -17.920 0.919 1.00 18.47 C ATOM 730 H MET A 473 -12.057 -21.520 -4.088 1.00 0.00 H ATOM 731 N LYS A 474 -14.143 -17.926 -2.894 1.00 21.10 N ATOM 732 CA LYS A 474 -14.745 -16.779 -3.575 1.00 22.59 C ATOM 733 C LYS A 474 -14.643 -15.470 -2.791 1.00 22.87 C ATOM 734 O LYS A 474 -15.291 -14.485 -3.139 1.00 23.63 O ATOM 735 CB LYS A 474 -16.211 -17.088 -3.886 1.00 23.35 C ATOM 736 CG LYS A 474 -16.408 -18.042 -5.052 1.00 24.61 C ATOM 737 CD LYS A 474 -15.845 -17.448 -6.338 1.00 26.36 C ATOM 738 CE LYS A 474 -16.673 -17.795 -7.556 1.00 27.92 C ATOM 739 NZ LYS A 474 -16.342 -16.878 -8.682 1.00 29.17 N ATOM 740 HZ1 LYS A 474 -16.545 -15.898 -8.400 1.00 0.00 H ATOM 741 HZ2 LYS A 474 -15.333 -16.971 -8.918 1.00 0.00 H ATOM 742 HZ3 LYS A 474 -16.918 -17.128 -9.511 1.00 0.00 H ATOM 743 H LYS A 474 -14.420 -18.134 -1.913 1.00 0.00 H ATOM 744 N SER A 475 -13.834 -15.449 -1.742 1.00 21.99 N ATOM 745 CA SER A 475 -13.535 -14.205 -1.047 1.00 22.35 C ATOM 746 C SER A 475 -12.299 -14.411 -0.200 1.00 22.63 C ATOM 747 O SER A 475 -11.851 -15.545 0.005 1.00 23.58 O ATOM 748 CB SER A 475 -14.716 -13.763 -0.161 1.00 22.40 C ATOM 749 OG SER A 475 -14.715 -14.438 1.091 1.00 21.44 O ATOM 750 HG SER A 475 -13.873 -14.239 1.571 1.00 0.00 H ATOM 751 H SER A 475 -13.405 -16.336 -1.409 1.00 0.00 H ATOM 752 N ALA A 476 -11.739 -13.313 0.285 1.00 22.30 N ATOM 753 CA ALA A 476 -10.669 -13.382 1.258 1.00 21.82 C ATOM 754 C ALA A 476 -11.304 -13.737 2.596 1.00 21.36 C ATOM 755 O ALA A 476 -12.537 -13.737 2.725 1.00 23.09 O ATOM 756 CB ALA A 476 -9.928 -12.054 1.334 1.00 22.38 C ATOM 757 H ALA A 476 -12.074 -12.383 -0.039 1.00 0.00 H ATOM 758 N VAL A 477 -10.473 -14.045 3.582 1.00 19.99 N ATOM 759 CA VAL A 477 -10.949 -14.415 4.907 1.00 19.76 C ATOM 760 C VAL A 477 -11.322 -13.164 5.710 1.00 20.07 C ATOM 761 O VAL A 477 -10.529 -12.228 5.830 1.00 19.48 O ATOM 762 CB VAL A 477 -9.892 -15.260 5.669 1.00 19.37 C ATOM 763 CG1 VAL A 477 -10.350 -15.590 7.079 1.00 18.82 C ATOM 764 CG2 VAL A 477 -9.586 -16.545 4.901 1.00 19.31 C ATOM 765 H VAL A 477 -9.449 -14.022 3.403 1.00 0.00 H ATOM 766 N ASP A 478 -12.548 -13.161 6.228 1.00 20.33 N ATOM 767 CA ASP A 478 -12.994 -12.204 7.246 1.00 20.36 C ATOM 768 C ASP A 478 -12.760 -12.898 8.580 1.00 20.32 C ATOM 769 O ASP A 478 -13.457 -13.837 8.910 1.00 20.38 O ATOM 770 CB ASP A 478 -14.483 -11.885 7.056 1.00 20.69 C ATOM 771 CG ASP A 478 -14.974 -10.752 7.956 1.00 21.36 C ATOM 772 OD1 ASP A 478 -14.390 -10.538 9.037 1.00 22.18 O ATOM 773 OD2 ASP A 478 -15.958 -10.075 7.579 1.00 22.02 O ATOM 774 H ASP A 478 -13.226 -13.875 5.893 1.00 0.00 H ATOM 775 N TYR A 479 -11.784 -12.428 9.344 1.00 20.50 N ATOM 776 CA TYR A 479 -11.372 -13.094 10.576 1.00 20.88 C ATOM 777 C TYR A 479 -12.260 -12.809 11.797 1.00 21.56 C ATOM 778 O TYR A 479 -12.076 -13.430 12.843 1.00 22.22 O ATOM 779 CB TYR A 479 -9.912 -12.733 10.900 1.00 20.95 C ATOM 780 CG TYR A 479 -8.904 -13.529 10.089 1.00 20.76 C ATOM 781 CD1 TYR A 479 -8.478 -14.784 10.519 1.00 21.04 C ATOM 782 CD2 TYR A 479 -8.382 -13.035 8.897 1.00 20.79 C ATOM 783 CE1 TYR A 479 -7.569 -15.526 9.780 1.00 20.62 C ATOM 784 CE2 TYR A 479 -7.467 -13.772 8.155 1.00 20.70 C ATOM 785 CZ TYR A 479 -7.067 -15.015 8.603 1.00 20.28 C ATOM 786 OH TYR A 479 -6.165 -15.759 7.877 1.00 20.41 O ATOM 787 HH TYR A 479 -5.317 -15.255 7.790 1.00 0.00 H ATOM 788 H TYR A 479 -11.296 -11.556 9.056 1.00 0.00 H ATOM 789 N ASN A 480 -13.212 -11.887 11.662 1.00 22.32 N ATOM 790 CA ASN A 480 -14.035 -11.425 12.795 1.00 22.49 C ATOM 791 C ASN A 480 -15.503 -11.509 12.430 1.00 21.58 C ATOM 792 O ASN A 480 -16.093 -10.544 11.919 1.00 21.57 O ATOM 793 CB ASN A 480 -13.664 -9.989 13.176 1.00 23.67 C ATOM 794 CG ASN A 480 -12.259 -9.885 13.737 1.00 24.60 C ATOM 795 OD1 ASN A 480 -12.002 -10.315 14.859 1.00 26.50 O ATOM 796 ND2 ASN A 480 -11.343 -9.311 12.962 1.00 24.98 N ATOM 797 HD22 ASN A 480 -11.605 -8.961 12.018 1.00 0.00 H ATOM 798 HD21 ASN A 480 -10.364 -9.212 13.300 1.00 0.00 H ATOM 799 H ASN A 480 -13.381 -11.477 10.721 1.00 0.00 H ATOM 800 N THR A 481 -16.096 -12.666 12.709 1.00 21.33 N ATOM 801 CA THR A 481 -17.469 -12.961 12.326 1.00 21.02 C ATOM 802 C THR A 481 -18.166 -13.671 13.480 1.00 20.21 C ATOM 803 O THR A 481 -17.540 -13.994 14.487 1.00 19.92 O ATOM 804 CB THR A 481 -17.483 -13.893 11.113 1.00 21.60 C ATOM 805 OG1 THR A 481 -18.832 -14.146 10.694 1.00 22.83 O ATOM 806 CG2 THR A 481 -16.834 -15.179 11.483 1.00 21.48 C ATOM 807 HG1 THR A 481 -19.266 -13.291 10.450 1.00 0.00 H ATOM 808 H THR A 481 -15.556 -13.391 13.223 1.00 0.00 H ATOM 809 N CYS A 482 -19.460 -13.921 13.324 1.00 19.52 N ATOM 810 CA CYS A 482 -20.253 -14.579 14.363 1.00 18.73 C ATOM 811 C CYS A 482 -19.647 -15.916 14.774 1.00 19.16 C ATOM 812 O CYS A 482 -19.263 -16.712 13.918 1.00 19.72 O ATOM 813 CB CYS A 482 -21.685 -14.778 13.865 1.00 18.28 C ATOM 814 SG CYS A 482 -22.840 -15.375 15.113 1.00 17.45 S ATOM 815 H CYS A 482 -19.924 -13.641 12.437 1.00 0.00 H ATOM 816 N ALA A 483 -19.529 -16.145 16.079 1.00 18.74 N ATOM 817 CA ALA A 483 -19.000 -17.405 16.595 1.00 18.65 C ATOM 818 C ALA A 483 -20.097 -18.459 16.597 1.00 18.98 C ATOM 819 O ALA A 483 -21.279 -18.137 16.504 1.00 18.81 O ATOM 820 CB ALA A 483 -18.448 -17.215 18.008 1.00 18.80 C ATOM 821 H ALA A 483 -19.821 -15.407 16.750 1.00 0.00 H ATOM 822 N GLY A 484 -19.695 -19.723 16.684 1.00 19.64 N ATOM 823 CA GLY A 484 -20.631 -20.818 16.924 1.00 19.93 C ATOM 824 C GLY A 484 -21.552 -21.217 15.785 1.00 19.72 C ATOM 825 O GLY A 484 -22.534 -21.908 16.010 1.00 20.52 O ATOM 826 H GLY A 484 -18.683 -19.939 16.578 1.00 0.00 H ATOM 827 N VAL A 485 -21.249 -20.811 14.562 1.00 20.18 N ATOM 828 CA VAL A 485 -22.116 -21.176 13.435 1.00 21.31 C ATOM 829 C VAL A 485 -21.912 -22.633 12.995 1.00 20.88 C ATOM 830 O VAL A 485 -22.787 -23.205 12.345 1.00 20.36 O ATOM 831 CB VAL A 485 -21.964 -20.217 12.233 1.00 22.12 C ATOM 832 CG1 VAL A 485 -22.229 -18.782 12.667 1.00 22.71 C ATOM 833 CG2 VAL A 485 -20.599 -20.340 11.589 1.00 22.81 C ATOM 834 H VAL A 485 -20.399 -20.235 14.400 1.00 0.00 H ATOM 835 N TRP A 486 -20.773 -23.224 13.368 1.00 19.78 N ATOM 836 CA TRP A 486 -20.427 -24.586 12.951 1.00 19.93 C ATOM 837 C TRP A 486 -20.631 -25.581 14.101 1.00 21.09 C ATOM 838 O TRP A 486 -20.918 -25.189 15.232 1.00 20.70 O ATOM 839 CB TRP A 486 -18.976 -24.640 12.452 1.00 18.59 C ATOM 840 CG TRP A 486 -18.675 -23.613 11.399 1.00 17.68 C ATOM 841 CD1 TRP A 486 -18.058 -22.410 11.579 1.00 17.73 C ATOM 842 CD2 TRP A 486 -19.000 -23.689 10.003 1.00 17.22 C ATOM 843 NE1 TRP A 486 -17.981 -21.729 10.387 1.00 17.45 N ATOM 844 CE2 TRP A 486 -18.546 -22.495 9.403 1.00 17.04 C ATOM 845 CE3 TRP A 486 -19.641 -24.644 9.206 1.00 16.82 C ATOM 846 CZ2 TRP A 486 -18.706 -22.235 8.040 1.00 16.98 C ATOM 847 CZ3 TRP A 486 -19.791 -24.390 7.849 1.00 16.96 C ATOM 848 CH2 TRP A 486 -19.330 -23.194 7.281 1.00 17.06 C ATOM 849 HE1 TRP A 486 -17.562 -20.786 10.255 1.00 0.00 H ATOM 850 H TRP A 486 -20.110 -22.700 13.974 1.00 0.00 H ATOM 851 N SER A 487 -20.481 -26.866 13.803 1.00 23.28 N ATOM 852 CA SER A 487 -20.746 -27.926 14.785 1.00 25.20 C ATOM 853 C SER A 487 -19.999 -27.697 16.093 1.00 26.24 C ATOM 854 O SER A 487 -20.603 -27.741 17.162 1.00 25.49 O ATOM 855 CB SER A 487 -20.391 -29.304 14.227 1.00 25.56 C ATOM 856 OG SER A 487 -20.711 -30.318 15.164 1.00 26.22 O ATOM 857 HG SER A 487 -20.475 -31.202 14.786 1.00 0.00 H ATOM 858 H SER A 487 -20.167 -27.130 12.847 1.00 0.00 H ATOM 859 N GLN A 488 -18.694 -27.460 16.007 1.00 28.14 N ATOM 860 CA GLN A 488 -17.916 -27.090 17.188 1.00 31.17 C ATOM 861 C GLN A 488 -17.518 -25.610 17.121 1.00 31.60 C ATOM 862 O GLN A 488 -17.425 -25.018 16.033 1.00 28.60 O ATOM 863 CB GLN A 488 -16.715 -28.043 17.419 1.00 34.03 C ATOM 864 CG GLN A 488 -15.615 -28.066 16.364 1.00 37.13 C ATOM 865 CD GLN A 488 -14.587 -29.195 16.581 1.00 39.56 C ATOM 866 OE1 GLN A 488 -14.053 -29.773 15.618 1.00 38.55 O ATOM 867 NE2 GLN A 488 -14.312 -29.516 17.845 1.00 39.79 N ATOM 868 HE22 GLN A 488 -14.779 -29.009 18.624 1.00 0.00 H ATOM 869 HE21 GLN A 488 -13.630 -30.273 18.053 1.00 0.00 H ATOM 870 H GLN A 488 -18.219 -27.539 15.085 1.00 0.00 H ATOM 871 N ASP A 489 -17.327 -25.007 18.292 1.00 32.27 N ATOM 872 CA ASP A 489 -17.117 -23.567 18.401 1.00 34.86 C ATOM 873 C ASP A 489 -15.621 -23.239 18.444 1.00 35.12 C ATOM 874 O ASP A 489 -15.169 -22.436 19.246 1.00 36.93 O ATOM 875 CB ASP A 489 -17.851 -23.029 19.638 1.00 37.34 C ATOM 876 CG ASP A 489 -17.886 -21.512 19.691 1.00 40.58 C ATOM 877 OD1 ASP A 489 -17.447 -20.853 18.715 1.00 42.46 O ATOM 878 OD2 ASP A 489 -18.349 -20.975 20.722 1.00 43.22 O ATOM 879 H ASP A 489 -17.327 -25.582 19.159 1.00 0.00 H ATOM 880 N LYS A 490 -14.868 -23.857 17.544 1.00 34.91 N ATOM 881 CA LYS A 490 -13.414 -23.715 17.480 1.00 34.80 C ATOM 882 C LYS A 490 -12.968 -22.686 16.436 1.00 32.33 C ATOM 883 O LYS A 490 -11.840 -22.205 16.488 1.00 33.07 O ATOM 884 CB LYS A 490 -12.782 -25.064 17.105 1.00 36.57 C ATOM 885 CG LYS A 490 -12.050 -25.773 18.226 1.00 38.63 C ATOM 886 CD LYS A 490 -10.774 -26.416 17.705 1.00 39.43 C ATOM 887 CE LYS A 490 -11.057 -27.605 16.802 1.00 39.60 C ATOM 888 NZ LYS A 490 -11.172 -28.861 17.593 1.00 40.27 N ATOM 889 HZ1 LYS A 490 -10.281 -29.032 18.101 1.00 0.00 H ATOM 890 HZ2 LYS A 490 -11.950 -28.769 18.277 1.00 0.00 H ATOM 891 HZ3 LYS A 490 -11.365 -29.657 16.952 1.00 0.00 H ATOM 892 H LYS A 490 -15.335 -24.474 16.849 1.00 0.00 H ATOM 893 N TRP A 491 -13.858 -22.348 15.505 1.00 28.70 N ATOM 894 CA TRP A 491 -13.484 -21.655 14.274 1.00 26.81 C ATOM 895 C TRP A 491 -13.666 -20.152 14.401 1.00 26.92 C ATOM 896 O TRP A 491 -14.667 -19.684 14.935 1.00 26.53 O ATOM 897 CB TRP A 491 -14.316 -22.196 13.099 1.00 25.16 C ATOM 898 CG TRP A 491 -14.515 -23.671 13.198 1.00 22.79 C ATOM 899 CD1 TRP A 491 -15.669 -24.315 13.501 1.00 22.33 C ATOM 900 CD2 TRP A 491 -13.513 -24.677 13.071 1.00 21.63 C ATOM 901 NE1 TRP A 491 -15.464 -25.671 13.545 1.00 21.76 N ATOM 902 CE2 TRP A 491 -14.143 -25.922 13.286 1.00 21.64 C ATOM 903 CE3 TRP A 491 -12.147 -24.651 12.784 1.00 21.23 C ATOM 904 CZ2 TRP A 491 -13.452 -27.136 13.219 1.00 21.53 C ATOM 905 CZ3 TRP A 491 -11.456 -25.859 12.720 1.00 21.29 C ATOM 906 CH2 TRP A 491 -12.112 -27.084 12.938 1.00 21.76 C ATOM 907 HE1 TRP A 491 -16.191 -26.388 13.742 1.00 0.00 H ATOM 908 H TRP A 491 -14.858 -22.587 15.660 1.00 0.00 H ATOM 909 N LYS A 492 -12.683 -19.401 13.914 1.00 26.43 N ATOM 910 CA LYS A 492 -12.747 -17.952 13.937 1.00 26.89 C ATOM 911 C LYS A 492 -12.667 -17.411 12.515 1.00 24.67 C ATOM 912 O LYS A 492 -11.618 -17.457 11.879 1.00 23.11 O ATOM 913 CB LYS A 492 -11.620 -17.396 14.806 1.00 29.49 C ATOM 914 CG LYS A 492 -11.774 -17.785 16.274 1.00 32.07 C ATOM 915 CD LYS A 492 -10.442 -17.860 17.003 1.00 35.04 C ATOM 916 CE LYS A 492 -10.011 -16.504 17.538 1.00 36.60 C ATOM 917 NZ LYS A 492 -10.660 -16.199 18.844 1.00 37.81 N ATOM 918 HZ1 LYS A 492 -11.693 -16.192 18.723 1.00 0.00 H ATOM 919 HZ2 LYS A 492 -10.396 -16.926 19.539 1.00 0.00 H ATOM 920 HZ3 LYS A 492 -10.343 -15.267 19.178 1.00 0.00 H ATOM 921 H LYS A 492 -11.846 -19.865 13.506 1.00 0.00 H ATOM 922 N GLY A 493 -13.795 -16.929 12.007 1.00 23.14 N ATOM 923 CA GLY A 493 -13.819 -16.300 10.701 1.00 22.15 C ATOM 924 C GLY A 493 -14.699 -17.025 9.719 1.00 21.49 C ATOM 925 O GLY A 493 -15.352 -18.017 10.049 1.00 20.53 O ATOM 926 H GLY A 493 -14.676 -17.004 12.555 1.00 0.00 H ATOM 927 N ARG A 494 -14.714 -16.504 8.501 1.00 20.55 N ATOM 928 CA ARG A 494 -15.582 -16.994 7.453 1.00 20.21 C ATOM 929 C ARG A 494 -15.049 -16.510 6.107 1.00 19.73 C ATOM 930 O ARG A 494 -14.481 -15.431 6.013 1.00 19.61 O ATOM 931 CB ARG A 494 -16.986 -16.446 7.674 1.00 20.47 C ATOM 932 CG ARG A 494 -18.076 -17.148 6.884 1.00 21.34 C ATOM 933 CD ARG A 494 -19.379 -16.366 6.935 1.00 22.00 C ATOM 934 NE ARG A 494 -19.187 -15.048 6.339 1.00 22.60 N ATOM 935 CZ ARG A 494 -19.327 -13.881 6.963 1.00 23.90 C ATOM 936 NH1 ARG A 494 -19.733 -13.806 8.230 1.00 24.78 N ATOM 937 NH2 ARG A 494 -19.084 -12.763 6.294 1.00 24.53 N ATOM 938 HE ARG A 494 -18.916 -15.018 5.335 1.00 0.00 H ATOM 939 HH12 ARG A 494 -19.833 -12.879 8.690 1.00 0.00 H ATOM 940 HH11 ARG A 494 -19.950 -14.675 8.759 1.00 0.00 H ATOM 941 HH22 ARG A 494 -19.188 -11.842 6.765 1.00 0.00 H ATOM 942 HH21 ARG A 494 -18.789 -12.807 5.298 1.00 0.00 H ATOM 943 H ARG A 494 -14.076 -15.710 8.290 1.00 0.00 H ATOM 944 N PHE A 495 -15.215 -17.320 5.072 1.00 19.22 N ATOM 945 CA PHE A 495 -14.990 -16.846 3.726 1.00 19.12 C ATOM 946 C PHE A 495 -16.025 -17.467 2.823 1.00 19.90 C ATOM 947 O PHE A 495 -16.617 -18.480 3.178 1.00 20.26 O ATOM 948 CB PHE A 495 -13.538 -17.112 3.259 1.00 18.35 C ATOM 949 CG PHE A 495 -13.137 -18.561 3.222 1.00 17.58 C ATOM 950 CD1 PHE A 495 -13.363 -19.328 2.095 1.00 17.55 C ATOM 951 CD2 PHE A 495 -12.481 -19.140 4.295 1.00 17.50 C ATOM 952 CE1 PHE A 495 -12.969 -20.653 2.040 1.00 17.83 C ATOM 953 CE2 PHE A 495 -12.080 -20.460 4.252 1.00 17.42 C ATOM 954 CZ PHE A 495 -12.327 -21.224 3.125 1.00 17.66 C ATOM 955 H PHE A 495 -15.510 -18.305 5.230 1.00 0.00 H ATOM 956 N ASP A 496 -16.242 -16.860 1.663 1.00 20.74 N ATOM 957 CA ASP A 496 -17.244 -17.345 0.729 1.00 22.21 C ATOM 958 C ASP A 496 -16.661 -18.446 -0.126 1.00 21.63 C ATOM 959 O ASP A 496 -15.467 -18.449 -0.406 1.00 21.89 O ATOM 960 CB ASP A 496 -17.729 -16.215 -0.192 1.00 24.29 C ATOM 961 CG ASP A 496 -18.471 -15.116 0.551 1.00 26.16 C ATOM 962 OD1 ASP A 496 -19.078 -15.375 1.616 1.00 27.34 O ATOM 963 OD2 ASP A 496 -18.460 -13.980 0.048 1.00 29.50 O ATOM 964 H ASP A 496 -15.683 -16.019 1.417 1.00 0.00 H ATOM 965 N VAL A 497 -17.517 -19.372 -0.546 1.00 21.64 N ATOM 966 CA VAL A 497 -17.159 -20.380 -1.538 1.00 22.24 C ATOM 967 C VAL A 497 -18.301 -20.562 -2.517 1.00 23.03 C ATOM 968 O VAL A 497 -19.419 -20.151 -2.242 1.00 23.67 O ATOM 969 CB VAL A 497 -16.839 -21.756 -0.904 1.00 21.66 C ATOM 970 CG1 VAL A 497 -15.663 -21.653 0.045 1.00 21.56 C ATOM 971 CG2 VAL A 497 -18.051 -22.329 -0.177 1.00 22.24 C ATOM 972 H VAL A 497 -18.480 -19.378 -0.152 1.00 0.00 H ATOM 973 N ARG A 498 -18.017 -21.191 -3.651 1.00 24.72 N ATOM 974 CA ARG A 498 -19.058 -21.644 -4.565 1.00 26.92 C ATOM 975 C ARG A 498 -18.835 -23.122 -4.839 1.00 25.72 C ATOM 976 O ARG A 498 -17.784 -23.510 -5.351 1.00 24.06 O ATOM 977 CB ARG A 498 -19.032 -20.844 -5.876 1.00 30.25 C ATOM 978 CG ARG A 498 -20.135 -21.220 -6.856 1.00 34.58 C ATOM 979 CD ARG A 498 -20.208 -20.267 -8.048 1.00 39.90 C ATOM 980 NE ARG A 498 -20.590 -18.910 -7.639 1.00 44.49 N ATOM 981 CZ ARG A 498 -20.717 -17.866 -8.462 1.00 48.82 C ATOM 982 NH1 ARG A 498 -20.500 -17.991 -9.771 1.00 49.64 N ATOM 983 NH2 ARG A 498 -21.065 -16.682 -7.970 1.00 50.39 N ATOM 984 HE ARG A 498 -20.776 -18.749 -6.629 1.00 0.00 H ATOM 985 HH12 ARG A 498 -20.604 -17.167 -10.396 1.00 0.00 H ATOM 986 HH11 ARG A 498 -20.227 -18.913 -10.167 1.00 0.00 H ATOM 987 HH22 ARG A 498 -21.166 -15.864 -8.605 1.00 0.00 H ATOM 988 HH21 ARG A 498 -21.237 -16.573 -6.950 1.00 0.00 H ATOM 989 H ARG A 498 -17.021 -21.366 -3.895 1.00 0.00 H ATOM 990 N TRP A 499 -19.814 -23.953 -4.494 1.00 23.71 N ATOM 991 CA TRP A 499 -19.680 -25.383 -4.729 1.00 23.42 C ATOM 992 C TRP A 499 -19.849 -25.700 -6.220 1.00 25.29 C ATOM 993 O TRP A 499 -20.633 -25.061 -6.916 1.00 25.70 O ATOM 994 CB TRP A 499 -20.645 -26.190 -3.850 1.00 22.14 C ATOM 995 CG TRP A 499 -20.147 -26.293 -2.431 1.00 20.24 C ATOM 996 CD1 TRP A 499 -20.164 -25.313 -1.487 1.00 19.69 C ATOM 997 CD2 TRP A 499 -19.522 -27.425 -1.822 1.00 18.81 C ATOM 998 NE1 TRP A 499 -19.604 -25.764 -0.319 1.00 19.25 N ATOM 999 CE2 TRP A 499 -19.203 -27.062 -0.497 1.00 18.67 C ATOM 1000 CE3 TRP A 499 -19.213 -28.712 -2.262 1.00 18.46 C ATOM 1001 CZ2 TRP A 499 -18.593 -27.939 0.390 1.00 18.09 C ATOM 1002 CZ3 TRP A 499 -18.602 -29.589 -1.373 1.00 18.71 C ATOM 1003 CH2 TRP A 499 -18.297 -29.192 -0.060 1.00 18.14 C ATOM 1004 HE1 TRP A 499 -19.501 -25.212 0.557 1.00 0.00 H ATOM 1005 H TRP A 499 -20.679 -23.579 -4.054 1.00 0.00 H ATOM 1006 N ILE A 500 -19.063 -26.668 -6.685 1.00 26.48 N ATOM 1007 CA ILE A 500 -18.982 -27.042 -8.086 1.00 27.70 C ATOM 1008 C ILE A 500 -19.445 -28.482 -8.253 1.00 28.28 C ATOM 1009 O ILE A 500 -20.303 -28.772 -9.086 1.00 28.92 O ATOM 1010 CB ILE A 500 -17.530 -26.922 -8.591 1.00 28.50 C ATOM 1011 CG1 ILE A 500 -17.065 -25.466 -8.512 1.00 28.38 C ATOM 1012 CG2 ILE A 500 -17.409 -27.454 -10.018 1.00 29.33 C ATOM 1013 CD1 ILE A 500 -15.612 -25.268 -8.879 1.00 28.42 C ATOM 1014 H ILE A 500 -18.472 -27.187 -6.005 1.00 0.00 H ATOM 1015 N PHE A 501 -18.854 -29.384 -7.478 1.00 27.95 N ATOM 1016 CA PHE A 501 -19.313 -30.762 -7.424 1.00 28.64 C ATOM 1017 C PHE A 501 -19.775 -31.054 -6.023 1.00 27.12 C ATOM 1018 O PHE A 501 -19.056 -30.789 -5.067 1.00 25.78 O ATOM 1019 CB PHE A 501 -18.200 -31.748 -7.784 1.00 30.16 C ATOM 1020 CG PHE A 501 -17.978 -31.896 -9.250 1.00 31.69 C ATOM 1021 CD1 PHE A 501 -18.868 -32.631 -10.025 1.00 32.68 C ATOM 1022 CD2 PHE A 501 -16.871 -31.319 -9.861 1.00 33.48 C ATOM 1023 CE1 PHE A 501 -18.670 -32.773 -11.388 1.00 33.53 C ATOM 1024 CE2 PHE A 501 -16.664 -31.462 -11.229 1.00 34.91 C ATOM 1025 CZ PHE A 501 -17.568 -32.183 -11.994 1.00 33.76 C ATOM 1026 H PHE A 501 -18.042 -29.097 -6.895 1.00 0.00 H ATOM 1027 N VAL A 502 -20.991 -31.573 -5.918 1.00 26.48 N ATOM 1028 CA VAL A 502 -21.442 -32.245 -4.719 1.00 26.42 C ATOM 1029 C VAL A 502 -21.639 -33.700 -5.137 1.00 26.74 C ATOM 1030 O VAL A 502 -22.712 -34.082 -5.594 1.00 26.40 O ATOM 1031 CB VAL A 502 -22.754 -31.640 -4.168 1.00 26.27 C ATOM 1032 CG1 VAL A 502 -23.164 -32.346 -2.889 1.00 26.32 C ATOM 1033 CG2 VAL A 502 -22.611 -30.144 -3.933 1.00 26.02 C ATOM 1034 H VAL A 502 -21.642 -31.494 -6.725 1.00 0.00 H ATOM 1035 N LYS A 503 -20.585 -34.499 -5.027 1.00 26.63 N ATOM 1036 CA LYS A 503 -20.680 -35.920 -5.340 1.00 27.88 C ATOM 1037 C LYS A 503 -19.645 -36.711 -4.552 1.00 27.58 C ATOM 1038 O LYS A 503 -18.523 -36.248 -4.337 1.00 27.55 O ATOM 1039 CB LYS A 503 -20.537 -36.175 -6.858 1.00 28.94 C ATOM 1040 CG LYS A 503 -19.172 -36.660 -7.328 1.00 30.03 C ATOM 1041 CD LYS A 503 -19.223 -37.335 -8.695 1.00 30.19 C ATOM 1042 CE LYS A 503 -19.500 -36.360 -9.824 1.00 29.48 C ATOM 1043 NZ LYS A 503 -19.070 -36.948 -11.124 1.00 29.56 N ATOM 1044 HZ1 LYS A 503 -18.051 -37.152 -11.090 1.00 0.00 H ATOM 1045 HZ2 LYS A 503 -19.596 -37.829 -11.296 1.00 0.00 H ATOM 1046 HZ3 LYS A 503 -19.264 -36.272 -11.890 1.00 0.00 H ATOM 1047 H LYS A 503 -19.676 -34.105 -4.712 1.00 0.00 H ATOM 1048 N ASP A 504 -20.032 -37.904 -4.122 1.00 27.10 N ATOM 1049 CA ASP A 504 -19.128 -38.778 -3.411 1.00 27.59 C ATOM 1050 C ASP A 504 -18.244 -39.504 -4.409 1.00 28.47 C ATOM 1051 O ASP A 504 -18.739 -40.105 -5.357 1.00 29.19 O ATOM 1052 CB ASP A 504 -19.898 -39.769 -2.544 1.00 27.81 C ATOM 1053 CG ASP A 504 -20.708 -39.077 -1.461 1.00 27.94 C ATOM 1054 OD1 ASP A 504 -20.402 -37.911 -1.130 1.00 27.79 O ATOM 1055 OD2 ASP A 504 -21.653 -39.698 -0.941 1.00 28.38 O ATOM 1056 H ASP A 504 -21.007 -38.217 -4.300 1.00 0.00 H ATOM 1057 N VAL A 505 -16.935 -39.392 -4.203 1.00 27.92 N ATOM 1058 CA VAL A 505 -15.940 -40.114 -4.981 1.00 28.61 C ATOM 1059 C VAL A 505 -15.126 -40.948 -3.991 1.00 28.30 C ATOM 1060 O VAL A 505 -14.425 -40.388 -3.146 1.00 28.23 O ATOM 1061 CB VAL A 505 -15.002 -39.156 -5.745 1.00 28.34 C ATOM 1062 CG1 VAL A 505 -14.054 -39.933 -6.651 1.00 28.71 C ATOM 1063 CG2 VAL A 505 -15.809 -38.156 -6.557 1.00 28.70 C ATOM 1064 H VAL A 505 -16.606 -38.757 -3.448 1.00 0.00 H ATOM 1065 N PRO A 506 -15.233 -42.286 -4.071 1.00 27.86 N ATOM 1066 CA PRO A 506 -14.470 -43.167 -3.172 1.00 27.35 C ATOM 1067 C PRO A 506 -12.978 -42.859 -3.203 1.00 26.89 C ATOM 1068 O PRO A 506 -12.473 -42.422 -4.233 1.00 27.38 O ATOM 1069 CB PRO A 506 -14.720 -44.566 -3.747 1.00 27.00 C ATOM 1070 CG PRO A 506 -15.995 -44.454 -4.508 1.00 27.53 C ATOM 1071 CD PRO A 506 -16.070 -43.044 -5.020 1.00 27.56 C ATOM 1072 N ASN A 507 -12.281 -43.091 -2.092 1.00 27.22 N ATOM 1073 CA ASN A 507 -10.828 -42.890 -2.048 1.00 27.39 C ATOM 1074 C ASN A 507 -10.069 -43.805 -3.003 1.00 28.04 C ATOM 1075 O ASN A 507 -9.033 -43.418 -3.533 1.00 29.69 O ATOM 1076 CB ASN A 507 -10.293 -43.083 -0.628 1.00 27.19 C ATOM 1077 CG ASN A 507 -10.615 -41.913 0.281 1.00 27.73 C ATOM 1078 OD1 ASN A 507 -11.033 -40.850 -0.172 1.00 27.26 O ATOM 1079 ND2 ASN A 507 -10.413 -42.104 1.578 1.00 28.43 N ATOM 1080 HD22 ASN A 507 -10.058 -43.020 1.920 1.00 0.00 H ATOM 1081 HD21 ASN A 507 -10.610 -41.338 2.253 1.00 0.00 H ATOM 1082 H ASN A 507 -12.776 -43.421 -1.239 1.00 0.00 H ATOM 1083 N SER A 508 -10.588 -45.012 -3.215 1.00 28.32 N ATOM 1084 CA SER A 508 -10.019 -45.960 -4.182 1.00 29.01 C ATOM 1085 C SER A 508 -9.791 -45.343 -5.563 1.00 29.66 C ATOM 1086 O SER A 508 -8.819 -45.676 -6.235 1.00 30.76 O ATOM 1087 CB SER A 508 -10.931 -47.185 -4.318 1.00 28.87 C ATOM 1088 OG SER A 508 -12.157 -46.834 -4.939 1.00 28.58 O ATOM 1089 HG SER A 508 -12.729 -47.639 -5.016 1.00 0.00 H ATOM 1090 H SER A 508 -11.430 -45.295 -2.674 1.00 0.00 H ATOM 1091 N GLN A 509 -10.688 -44.446 -5.976 1.00 30.06 N ATOM 1092 CA GLN A 509 -10.574 -43.741 -7.258 1.00 30.38 C ATOM 1093 C GLN A 509 -9.437 -42.713 -7.320 1.00 30.32 C ATOM 1094 O GLN A 509 -9.022 -42.313 -8.413 1.00 28.78 O ATOM 1095 CB GLN A 509 -11.880 -42.997 -7.562 1.00 31.93 C ATOM 1096 CG GLN A 509 -13.077 -43.895 -7.831 1.00 32.64 C ATOM 1097 CD GLN A 509 -12.959 -44.613 -9.154 1.00 32.43 C ATOM 1098 OE1 GLN A 509 -12.975 -45.834 -9.202 1.00 33.64 O ATOM 1099 NE2 GLN A 509 -12.808 -43.854 -10.233 1.00 32.73 N ATOM 1100 HE22 GLN A 509 -12.801 -42.818 -10.143 1.00 0.00 H ATOM 1101 HE21 GLN A 509 -12.697 -44.296 -11.168 1.00 0.00 H ATOM 1102 H GLN A 509 -11.502 -44.238 -5.364 1.00 0.00 H ATOM 1103 N LEU A 510 -8.968 -42.262 -6.157 1.00 30.15 N ATOM 1104 CA LEU A 510 -7.979 -41.181 -6.077 1.00 29.58 C ATOM 1105 C LEU A 510 -6.666 -41.576 -5.394 1.00 30.12 C ATOM 1106 O LEU A 510 -5.722 -40.792 -5.410 1.00 27.41 O ATOM 1107 CB LEU A 510 -8.573 -39.992 -5.313 1.00 29.38 C ATOM 1108 CG LEU A 510 -9.820 -39.317 -5.886 1.00 29.93 C ATOM 1109 CD1 LEU A 510 -10.457 -38.410 -4.844 1.00 29.80 C ATOM 1110 CD2 LEU A 510 -9.491 -38.532 -7.145 1.00 29.11 C ATOM 1111 H LEU A 510 -9.315 -42.691 -5.275 1.00 0.00 H ATOM 1112 N ARG A 511 -6.598 -42.766 -4.792 1.00 31.78 N ATOM 1113 CA ARG A 511 -5.447 -43.110 -3.929 1.00 33.43 C ATOM 1114 C ARG A 511 -4.113 -43.300 -4.654 1.00 31.83 C ATOM 1115 O ARG A 511 -3.066 -43.249 -4.011 1.00 29.61 O ATOM 1116 CB ARG A 511 -5.740 -44.325 -3.033 1.00 35.88 C ATOM 1117 CG ARG A 511 -6.026 -45.641 -3.747 1.00 39.32 C ATOM 1118 CD ARG A 511 -6.240 -46.760 -2.729 1.00 42.11 C ATOM 1119 NE ARG A 511 -6.898 -47.940 -3.298 1.00 45.91 N ATOM 1120 CZ ARG A 511 -6.312 -48.849 -4.081 1.00 49.17 C ATOM 1121 NH1 ARG A 511 -5.029 -48.743 -4.419 1.00 50.43 N ATOM 1122 NH2 ARG A 511 -7.020 -49.882 -4.535 1.00 50.99 N ATOM 1123 HE ARG A 511 -7.904 -48.081 -3.073 1.00 0.00 H ATOM 1124 HH12 ARG A 511 -4.591 -49.462 -5.030 1.00 0.00 H ATOM 1125 HH11 ARG A 511 -4.464 -47.941 -4.072 1.00 0.00 H ATOM 1126 HH22 ARG A 511 -6.569 -50.593 -5.145 1.00 0.00 H ATOM 1127 HH21 ARG A 511 -8.024 -49.977 -4.279 1.00 0.00 H ATOM 1128 H ARG A 511 -7.362 -43.458 -4.931 1.00 0.00 H ATOM 1129 N HIS A 512 -4.148 -43.499 -5.974 1.00 31.30 N ATOM 1130 CA HIS A 512 -2.920 -43.639 -6.776 1.00 32.16 C ATOM 1131 C HIS A 512 -2.263 -42.312 -7.178 1.00 29.88 C ATOM 1132 O HIS A 512 -1.155 -42.305 -7.717 1.00 29.50 O ATOM 1133 CB HIS A 512 -3.202 -44.477 -8.022 1.00 34.34 C ATOM 1134 CG HIS A 512 -3.648 -45.865 -7.703 1.00 37.77 C ATOM 1135 ND1 HIS A 512 -4.959 -46.274 -7.828 1.00 40.26 N ATOM 1136 CD2 HIS A 512 -2.967 -46.926 -7.210 1.00 39.10 C ATOM 1137 CE1 HIS A 512 -5.060 -47.536 -7.450 1.00 40.70 C ATOM 1138 NE2 HIS A 512 -3.866 -47.953 -7.070 1.00 41.10 N ATOM 1139 H HIS A 512 -5.071 -43.557 -6.451 1.00 0.00 H ATOM 1140 N ILE A 513 -2.941 -41.197 -6.926 1.00 27.59 N ATOM 1141 CA ILE A 513 -2.346 -39.880 -7.149 1.00 25.58 C ATOM 1142 C ILE A 513 -1.610 -39.503 -5.880 1.00 24.80 C ATOM 1143 O ILE A 513 -2.214 -39.416 -4.816 1.00 25.52 O ATOM 1144 CB ILE A 513 -3.411 -38.829 -7.498 1.00 24.90 C ATOM 1145 CG1 ILE A 513 -4.088 -39.203 -8.815 1.00 24.37 C ATOM 1146 CG2 ILE A 513 -2.796 -37.437 -7.606 1.00 24.66 C ATOM 1147 CD1 ILE A 513 -5.487 -38.663 -8.926 1.00 24.77 C ATOM 1148 H ILE A 513 -3.913 -41.262 -6.563 1.00 0.00 H ATOM 1149 N ARG A 514 -0.304 -39.300 -5.993 1.00 23.92 N ATOM 1150 CA ARG A 514 0.531 -38.999 -4.841 1.00 23.98 C ATOM 1151 C ARG A 514 1.066 -37.579 -4.905 1.00 22.03 C ATOM 1152 O ARG A 514 1.201 -37.004 -5.977 1.00 22.79 O ATOM 1153 CB ARG A 514 1.671 -40.010 -4.749 1.00 26.11 C ATOM 1154 CG ARG A 514 1.193 -41.388 -4.300 1.00 28.15 C ATOM 1155 CD ARG A 514 2.202 -42.477 -4.629 1.00 29.91 C ATOM 1156 NE ARG A 514 1.787 -43.778 -4.105 1.00 31.79 N ATOM 1157 CZ ARG A 514 2.043 -44.235 -2.880 1.00 32.54 C ATOM 1158 NH1 ARG A 514 2.727 -43.506 -2.000 1.00 33.01 N ATOM 1159 NH2 ARG A 514 1.605 -45.442 -2.529 1.00 33.69 N ATOM 1160 HE ARG A 514 1.247 -44.398 -4.742 1.00 0.00 H ATOM 1161 HH12 ARG A 514 2.916 -43.882 -1.049 1.00 0.00 H ATOM 1162 HH11 ARG A 514 3.072 -42.561 -2.264 1.00 0.00 H ATOM 1163 HH22 ARG A 514 1.799 -45.809 -1.575 1.00 0.00 H ATOM 1164 HH21 ARG A 514 1.069 -46.018 -3.208 1.00 0.00 H ATOM 1165 H ARG A 514 0.136 -39.358 -6.934 1.00 0.00 H ATOM 1166 N LEU A 515 1.356 -37.011 -3.746 1.00 20.37 N ATOM 1167 CA LEU A 515 1.793 -35.627 -3.660 1.00 19.55 C ATOM 1168 C LEU A 515 3.295 -35.542 -3.393 1.00 18.82 C ATOM 1169 O LEU A 515 3.754 -35.917 -2.320 1.00 19.07 O ATOM 1170 CB LEU A 515 1.016 -34.895 -2.563 1.00 19.21 C ATOM 1171 CG LEU A 515 -0.510 -34.957 -2.647 1.00 19.38 C ATOM 1172 CD1 LEU A 515 -1.140 -34.044 -1.605 1.00 19.46 C ATOM 1173 CD2 LEU A 515 -0.992 -34.589 -4.038 1.00 19.49 C ATOM 1174 H LEU A 515 1.269 -37.569 -2.873 1.00 0.00 H ATOM 1175 N GLU A 516 4.050 -35.028 -4.360 1.00 17.59 N ATOM 1176 CA GLU A 516 5.497 -34.877 -4.191 1.00 18.16 C ATOM 1177 C GLU A 516 5.873 -33.919 -3.062 1.00 17.82 C ATOM 1178 O GLU A 516 6.956 -34.021 -2.494 1.00 18.67 O ATOM 1179 CB GLU A 516 6.168 -34.436 -5.501 1.00 18.30 C ATOM 1180 CG GLU A 516 5.660 -33.121 -6.077 1.00 18.20 C ATOM 1181 CD GLU A 516 4.570 -33.306 -7.106 1.00 18.47 C ATOM 1182 OE1 GLU A 516 3.678 -34.170 -6.903 1.00 17.42 O ATOM 1183 OE2 GLU A 516 4.615 -32.580 -8.122 1.00 18.59 O ATOM 1184 H GLU A 516 3.605 -34.728 -5.251 1.00 0.00 H ATOM 1185 N ASN A 517 4.983 -32.988 -2.743 1.00 17.58 N ATOM 1186 CA ASN A 517 5.213 -32.032 -1.655 1.00 17.73 C ATOM 1187 C ASN A 517 4.794 -32.546 -0.279 1.00 18.49 C ATOM 1188 O ASN A 517 4.993 -31.855 0.713 1.00 18.74 O ATOM 1189 CB ASN A 517 4.505 -30.696 -1.940 1.00 17.06 C ATOM 1190 CG ASN A 517 3.001 -30.844 -2.119 1.00 16.10 C ATOM 1191 OD1 ASN A 517 2.535 -31.819 -2.687 1.00 15.68 O ATOM 1192 ND2 ASN A 517 2.240 -29.851 -1.660 1.00 15.98 N ATOM 1193 HD22 ASN A 517 2.678 -29.038 -1.182 1.00 0.00 H ATOM 1194 HD21 ASN A 517 1.208 -29.889 -1.780 1.00 0.00 H ATOM 1195 H ASN A 517 4.095 -32.935 -3.281 1.00 0.00 H ATOM 1196 N ASN A 518 4.202 -33.739 -0.230 1.00 19.68 N ATOM 1197 CA ASN A 518 3.833 -34.382 1.033 1.00 20.68 C ATOM 1198 C ASN A 518 4.405 -35.801 1.092 1.00 22.08 C ATOM 1199 O ASN A 518 3.681 -36.778 1.262 1.00 21.29 O ATOM 1200 CB ASN A 518 2.301 -34.400 1.204 1.00 20.12 C ATOM 1201 CG ASN A 518 1.874 -34.825 2.598 1.00 20.17 C ATOM 1202 OD1 ASN A 518 2.540 -34.508 3.579 1.00 20.44 O ATOM 1203 ND2 ASN A 518 0.755 -35.543 2.693 1.00 20.02 N ATOM 1204 HD22 ASN A 518 0.221 -35.790 1.835 1.00 0.00 H ATOM 1205 HD21 ASN A 518 0.416 -35.857 3.625 1.00 0.00 H ATOM 1206 H ASN A 518 3.994 -34.232 -1.122 1.00 0.00 H ATOM 1207 N GLU A 519 5.720 -35.902 0.918 1.00 25.17 N ATOM 1208 CA GLU A 519 6.446 -37.184 1.055 1.00 26.15 C ATOM 1209 C GLU A 519 5.928 -38.292 0.135 1.00 26.18 C ATOM 1210 O GLU A 519 6.069 -39.475 0.427 1.00 26.02 O ATOM 1211 CB GLU A 519 6.428 -37.624 2.523 1.00 27.68 C ATOM 1212 CG GLU A 519 7.006 -36.554 3.436 1.00 28.89 C ATOM 1213 CD GLU A 519 7.091 -36.969 4.889 1.00 30.42 C ATOM 1214 OE1 GLU A 519 6.513 -38.004 5.264 1.00 33.63 O ATOM 1215 OE2 GLU A 519 7.733 -36.239 5.664 1.00 31.07 O ATOM 1216 H GLU A 519 6.259 -35.046 0.676 1.00 0.00 H ATOM 1217 N ASN A 520 5.352 -37.894 -0.995 1.00 26.29 N ATOM 1218 CA ASN A 520 4.769 -38.828 -1.957 1.00 26.62 C ATOM 1219 C ASN A 520 3.596 -39.651 -1.412 1.00 24.59 C ATOM 1220 O ASN A 520 3.285 -40.730 -1.928 1.00 23.80 O ATOM 1221 CB ASN A 520 5.850 -39.749 -2.534 1.00 29.08 C ATOM 1222 CG ASN A 520 5.773 -39.838 -4.037 1.00 31.90 C ATOM 1223 OD1 ASN A 520 5.294 -40.828 -4.592 1.00 34.19 O ATOM 1224 ND2 ASN A 520 6.205 -38.773 -4.710 1.00 33.77 N ATOM 1225 HD22 ASN A 520 6.602 -37.960 -4.197 1.00 0.00 H ATOM 1226 HD21 ASN A 520 6.145 -38.754 -5.748 1.00 0.00 H ATOM 1227 H ASN A 520 5.314 -36.876 -1.203 1.00 0.00 H ATOM 1228 N LYS A 521 2.924 -39.133 -0.393 1.00 23.58 N ATOM 1229 CA LYS A 521 1.767 -39.817 0.161 1.00 23.32 C ATOM 1230 C LYS A 521 0.574 -39.663 -0.762 1.00 22.47 C ATOM 1231 O LYS A 521 0.462 -38.652 -1.460 1.00 21.40 O ATOM 1232 CB LYS A 521 1.418 -39.262 1.542 1.00 25.29 C ATOM 1233 CG LYS A 521 2.429 -39.619 2.614 1.00 25.74 C ATOM 1234 CD LYS A 521 2.043 -38.994 3.938 1.00 27.60 C ATOM 1235 CE LYS A 521 3.184 -39.076 4.937 1.00 28.49 C ATOM 1236 NZ LYS A 521 2.801 -38.435 6.222 1.00 29.57 N ATOM 1237 HZ1 LYS A 521 2.571 -37.435 6.054 1.00 0.00 H ATOM 1238 HZ2 LYS A 521 1.971 -38.922 6.617 1.00 0.00 H ATOM 1239 HZ3 LYS A 521 3.594 -38.502 6.891 1.00 0.00 H ATOM 1240 H LYS A 521 3.228 -38.226 0.015 1.00 0.00 H ATOM 1241 N PRO A 522 -0.319 -40.666 -0.780 1.00 21.92 N ATOM 1242 CA PRO A 522 -1.569 -40.547 -1.519 1.00 22.03 C ATOM 1243 C PRO A 522 -2.301 -39.260 -1.183 1.00 20.58 C ATOM 1244 O PRO A 522 -2.340 -38.856 -0.018 1.00 19.93 O ATOM 1245 CB PRO A 522 -2.382 -41.739 -1.020 1.00 22.53 C ATOM 1246 CG PRO A 522 -1.356 -42.759 -0.669 1.00 22.73 C ATOM 1247 CD PRO A 522 -0.200 -41.975 -0.117 1.00 22.64 C ATOM 1248 N VAL A 523 -2.865 -38.615 -2.195 1.00 20.03 N ATOM 1249 CA VAL A 523 -3.667 -37.424 -1.975 1.00 19.68 C ATOM 1250 C VAL A 523 -4.793 -37.710 -0.975 1.00 20.23 C ATOM 1251 O VAL A 523 -5.247 -36.813 -0.255 1.00 19.64 O ATOM 1252 CB VAL A 523 -4.231 -36.872 -3.295 1.00 19.89 C ATOM 1253 CG1 VAL A 523 -5.179 -37.870 -3.954 1.00 20.41 C ATOM 1254 CG2 VAL A 523 -4.926 -35.529 -3.064 1.00 19.84 C ATOM 1255 H VAL A 523 -2.731 -38.968 -3.164 1.00 0.00 H ATOM 1256 N THR A 524 -5.217 -38.971 -0.920 1.00 20.68 N ATOM 1257 CA THR A 524 -6.253 -39.415 0.002 1.00 21.20 C ATOM 1258 C THR A 524 -5.795 -39.539 1.461 1.00 21.85 C ATOM 1259 O THR A 524 -6.624 -39.739 2.343 1.00 22.11 O ATOM 1260 CB THR A 524 -6.840 -40.761 -0.459 1.00 21.55 C ATOM 1261 OG1 THR A 524 -5.781 -41.654 -0.811 1.00 21.43 O ATOM 1262 CG2 THR A 524 -7.738 -40.549 -1.677 1.00 21.63 C ATOM 1263 HG1 THR A 524 -6.164 -42.518 -1.107 1.00 0.00 H ATOM 1264 H THR A 524 -4.790 -39.668 -1.563 1.00 0.00 H ATOM 1265 N ASN A 525 -4.496 -39.428 1.726 1.00 22.01 N ATOM 1266 CA ASN A 525 -4.014 -39.366 3.112 1.00 22.84 C ATOM 1267 C ASN A 525 -3.578 -37.944 3.515 1.00 22.17 C ATOM 1268 O ASN A 525 -2.740 -37.783 4.392 1.00 24.12 O ATOM 1269 CB ASN A 525 -2.860 -40.361 3.323 1.00 23.61 C ATOM 1270 CG ASN A 525 -3.284 -41.811 3.146 1.00 24.99 C ATOM 1271 OD1 ASN A 525 -4.465 -42.124 3.003 1.00 25.41 O ATOM 1272 ND2 ASN A 525 -2.310 -42.708 3.158 1.00 26.10 N ATOM 1273 HD22 ASN A 525 -1.323 -42.403 3.281 1.00 0.00 H ATOM 1274 HD21 ASN A 525 -2.532 -43.718 3.044 1.00 0.00 H ATOM 1275 H ASN A 525 -3.814 -39.385 0.942 1.00 0.00 H ATOM 1276 N SER A 526 -4.144 -36.919 2.878 1.00 21.59 N ATOM 1277 CA SER A 526 -3.800 -35.525 3.179 1.00 20.79 C ATOM 1278 C SER A 526 -4.511 -35.003 4.426 1.00 21.10 C ATOM 1279 O SER A 526 -5.575 -35.488 4.795 1.00 20.70 O ATOM 1280 CB SER A 526 -4.159 -34.617 2.000 1.00 20.39 C ATOM 1281 OG SER A 526 -3.430 -34.953 0.840 1.00 19.18 O ATOM 1282 HG SER A 526 -3.630 -35.888 0.585 1.00 0.00 H ATOM 1283 H SER A 526 -4.853 -37.114 2.143 1.00 0.00 H ATOM 1284 N ARG A 527 -3.909 -34.000 5.060 1.00 21.72 N ATOM 1285 CA ARG A 527 -4.526 -33.279 6.173 1.00 22.28 C ATOM 1286 C ARG A 527 -5.182 -31.998 5.654 1.00 20.44 C ATOM 1287 O ARG A 527 -4.993 -31.609 4.495 1.00 18.41 O ATOM 1288 CB ARG A 527 -3.478 -32.905 7.239 1.00 25.37 C ATOM 1289 CG ARG A 527 -3.213 -33.971 8.298 1.00 29.39 C ATOM 1290 CD ARG A 527 -1.815 -34.552 8.206 1.00 33.44 C ATOM 1291 NE ARG A 527 -1.670 -35.762 9.021 1.00 37.64 N ATOM 1292 CZ ARG A 527 -0.687 -36.662 8.891 1.00 40.62 C ATOM 1293 NH1 ARG A 527 0.269 -36.514 7.975 1.00 40.44 N ATOM 1294 NH2 ARG A 527 -0.663 -37.729 9.690 1.00 42.06 N ATOM 1295 HE ARG A 527 -2.385 -35.935 9.756 1.00 0.00 H ATOM 1296 HH12 ARG A 527 1.023 -37.225 7.891 1.00 0.00 H ATOM 1297 HH11 ARG A 527 0.261 -35.687 7.344 1.00 0.00 H ATOM 1298 HH22 ARG A 527 0.097 -38.433 9.595 1.00 0.00 H ATOM 1299 HH21 ARG A 527 -1.404 -37.858 10.408 1.00 0.00 H ATOM 1300 H ARG A 527 -2.958 -33.716 4.750 1.00 0.00 H ATOM 1301 N ASP A 528 -5.932 -31.338 6.538 1.00 18.12 N ATOM 1302 CA ASP A 528 -6.628 -30.109 6.203 1.00 17.19 C ATOM 1303 C ASP A 528 -5.675 -29.049 5.653 1.00 16.50 C ATOM 1304 O ASP A 528 -4.591 -28.842 6.187 1.00 16.11 O ATOM 1305 CB ASP A 528 -7.346 -29.563 7.436 1.00 16.77 C ATOM 1306 CG ASP A 528 -8.317 -28.452 7.107 1.00 16.14 C ATOM 1307 OD1 ASP A 528 -9.089 -28.585 6.132 1.00 16.00 O ATOM 1308 OD2 ASP A 528 -8.349 -27.463 7.858 1.00 15.73 O ATOM 1309 H ASP A 528 -6.021 -31.718 7.502 1.00 0.00 H ATOM 1310 N THR A 529 -6.103 -28.403 4.573 1.00 16.18 N ATOM 1311 CA THR A 529 -5.343 -27.371 3.852 1.00 16.09 C ATOM 1312 C THR A 529 -3.977 -27.818 3.327 1.00 15.73 C ATOM 1313 O THR A 529 -3.111 -26.992 3.065 1.00 16.15 O ATOM 1314 CB THR A 529 -5.255 -26.022 4.619 1.00 16.00 C ATOM 1315 OG1 THR A 529 -4.375 -26.126 5.740 1.00 16.86 O ATOM 1316 CG2 THR A 529 -6.626 -25.601 5.095 1.00 16.38 C ATOM 1317 HG1 THR A 529 -4.711 -26.822 6.359 1.00 0.00 H ATOM 1318 H THR A 529 -7.047 -28.646 4.210 1.00 0.00 H ATOM 1319 N GLN A 530 -3.810 -29.120 3.125 1.00 15.59 N ATOM 1320 CA GLN A 530 -2.718 -29.617 2.320 1.00 15.52 C ATOM 1321 C GLN A 530 -2.876 -29.048 0.911 1.00 15.16 C ATOM 1322 O GLN A 530 -3.924 -29.243 0.289 1.00 14.68 O ATOM 1323 CB GLN A 530 -2.765 -31.142 2.241 1.00 15.78 C ATOM 1324 CG GLN A 530 -1.722 -31.760 1.305 1.00 16.55 C ATOM 1325 CD GLN A 530 -0.295 -31.479 1.750 1.00 17.05 C ATOM 1326 OE1 GLN A 530 0.129 -31.918 2.825 1.00 17.73 O ATOM 1327 NE2 GLN A 530 0.459 -30.747 0.923 1.00 17.09 N ATOM 1328 HE22 GLN A 530 0.061 -30.398 0.028 1.00 0.00 H ATOM 1329 HE21 GLN A 530 1.444 -30.527 1.175 1.00 0.00 H ATOM 1330 H GLN A 530 -4.477 -29.793 3.554 1.00 0.00 H ATOM 1331 N GLU A 531 -1.855 -28.351 0.408 1.00 14.77 N ATOM 1332 CA GLU A 531 -1.884 -27.909 -0.986 1.00 14.46 C ATOM 1333 C GLU A 531 -1.499 -29.050 -1.934 1.00 14.57 C ATOM 1334 O GLU A 531 -0.687 -29.913 -1.591 1.00 14.05 O ATOM 1335 CB GLU A 531 -1.010 -26.671 -1.231 1.00 14.50 C ATOM 1336 CG GLU A 531 -1.226 -26.109 -2.642 1.00 14.30 C ATOM 1337 CD GLU A 531 -0.651 -24.731 -2.897 1.00 14.44 C ATOM 1338 OE1 GLU A 531 -0.065 -24.116 -1.974 1.00 13.82 O ATOM 1339 OE2 GLU A 531 -0.784 -24.268 -4.063 1.00 14.25 O ATOM 1340 H GLU A 531 -1.037 -28.122 1.008 1.00 0.00 H ATOM 1341 N VAL A 532 -2.112 -29.043 -3.121 1.00 14.98 N ATOM 1342 CA VAL A 532 -1.914 -30.067 -4.148 1.00 15.11 C ATOM 1343 C VAL A 532 -1.200 -29.424 -5.340 1.00 15.11 C ATOM 1344 O VAL A 532 -1.660 -28.413 -5.859 1.00 14.88 O ATOM 1345 CB VAL A 532 -3.268 -30.645 -4.624 1.00 15.43 C ATOM 1346 CG1 VAL A 532 -3.065 -31.726 -5.681 1.00 15.57 C ATOM 1347 CG2 VAL A 532 -4.060 -31.193 -3.446 1.00 15.31 C ATOM 1348 H VAL A 532 -2.769 -28.264 -3.328 1.00 0.00 H ATOM 1349 N PRO A 533 -0.066 -30.000 -5.777 1.00 15.23 N ATOM 1350 CA PRO A 533 0.578 -29.439 -6.954 1.00 15.46 C ATOM 1351 C PRO A 533 -0.386 -29.445 -8.140 1.00 15.70 C ATOM 1352 O PRO A 533 -1.214 -30.348 -8.262 1.00 14.96 O ATOM 1353 CB PRO A 533 1.766 -30.377 -7.192 1.00 15.52 C ATOM 1354 CG PRO A 533 2.043 -30.986 -5.861 1.00 15.55 C ATOM 1355 CD PRO A 533 0.685 -31.143 -5.237 1.00 15.50 C ATOM 1356 N LEU A 534 -0.280 -28.433 -8.988 1.00 16.53 N ATOM 1357 CA LEU A 534 -1.272 -28.205 -10.031 1.00 17.52 C ATOM 1358 C LEU A 534 -1.457 -29.413 -10.942 1.00 17.94 C ATOM 1359 O LEU A 534 -2.587 -29.770 -11.269 1.00 18.15 O ATOM 1360 CB LEU A 534 -0.915 -26.947 -10.833 1.00 18.05 C ATOM 1361 CG LEU A 534 -1.873 -26.571 -11.962 1.00 18.69 C ATOM 1362 CD1 LEU A 534 -3.309 -26.501 -11.472 1.00 19.06 C ATOM 1363 CD2 LEU A 534 -1.455 -25.252 -12.604 1.00 19.00 C ATOM 1364 H LEU A 534 0.530 -27.786 -8.908 1.00 0.00 H ATOM 1365 N GLU A 535 -0.363 -30.065 -11.323 1.00 19.66 N ATOM 1366 CA GLU A 535 -0.444 -31.183 -12.272 1.00 20.78 C ATOM 1367 C GLU A 535 -1.198 -32.360 -11.657 1.00 20.38 C ATOM 1368 O GLU A 535 -2.009 -33.003 -12.330 1.00 20.61 O ATOM 1369 CB GLU A 535 0.950 -31.586 -12.801 1.00 21.82 C ATOM 1370 CG GLU A 535 1.752 -32.616 -11.991 1.00 23.48 C ATOM 1371 CD GLU A 535 2.425 -32.085 -10.732 1.00 24.24 C ATOM 1372 OE1 GLU A 535 2.391 -30.858 -10.468 1.00 25.91 O ATOM 1373 OE2 GLU A 535 2.995 -32.918 -9.994 1.00 24.12 O ATOM 1374 H GLU A 535 0.563 -29.780 -10.944 1.00 0.00 H ATOM 1375 N LYS A 536 -0.951 -32.622 -10.372 1.00 20.15 N ATOM 1376 CA LYS A 536 -1.720 -33.631 -9.639 1.00 19.40 C ATOM 1377 C LYS A 536 -3.171 -33.167 -9.451 1.00 18.67 C ATOM 1378 O LYS A 536 -4.084 -33.974 -9.543 1.00 18.02 O ATOM 1379 CB LYS A 536 -1.089 -33.955 -8.278 1.00 19.54 C ATOM 1380 CG LYS A 536 0.338 -34.492 -8.314 1.00 19.58 C ATOM 1381 CD LYS A 536 0.514 -35.584 -9.356 1.00 20.14 C ATOM 1382 CE LYS A 536 1.671 -36.521 -9.065 1.00 20.48 C ATOM 1383 NZ LYS A 536 2.895 -35.886 -8.540 1.00 21.20 N ATOM 1384 HZ1 LYS A 536 3.248 -35.193 -9.230 1.00 0.00 H ATOM 1385 HZ2 LYS A 536 2.677 -35.405 -7.644 1.00 0.00 H ATOM 1386 HZ3 LYS A 536 3.619 -36.614 -8.377 1.00 0.00 H ATOM 1387 H LYS A 536 -0.198 -32.100 -9.881 1.00 0.00 H ATOM 1388 N ALA A 537 -3.380 -31.877 -9.196 1.00 18.14 N ATOM 1389 CA ALA A 537 -4.736 -31.353 -9.021 1.00 18.70 C ATOM 1390 C ALA A 537 -5.602 -31.538 -10.275 1.00 19.25 C ATOM 1391 O ALA A 537 -6.781 -31.846 -10.172 1.00 19.42 O ATOM 1392 CB ALA A 537 -4.711 -29.891 -8.610 1.00 18.45 C ATOM 1393 H ALA A 537 -2.568 -31.232 -9.120 1.00 0.00 H ATOM 1394 N LYS A 538 -5.013 -31.353 -11.449 1.00 21.10 N ATOM 1395 CA LYS A 538 -5.730 -31.548 -12.709 1.00 22.68 C ATOM 1396 C LYS A 538 -6.187 -32.984 -12.842 1.00 22.43 C ATOM 1397 O LYS A 538 -7.322 -33.243 -13.238 1.00 22.55 O ATOM 1398 CB LYS A 538 -4.852 -31.164 -13.899 1.00 23.38 C ATOM 1399 CG LYS A 538 -4.616 -29.672 -13.985 1.00 24.77 C ATOM 1400 CD LYS A 538 -3.643 -29.333 -15.092 1.00 26.18 C ATOM 1401 CE LYS A 538 -3.425 -27.832 -15.181 1.00 26.94 C ATOM 1402 NZ LYS A 538 -2.353 -27.530 -16.168 1.00 26.77 N ATOM 1403 HZ1 LYS A 538 -1.468 -27.987 -15.868 1.00 0.00 H ATOM 1404 HZ2 LYS A 538 -2.632 -27.891 -17.102 1.00 0.00 H ATOM 1405 HZ3 LYS A 538 -2.212 -26.501 -16.221 1.00 0.00 H ATOM 1406 H LYS A 538 -4.015 -31.062 -11.474 1.00 0.00 H ATOM 1407 N GLN A 539 -5.304 -33.908 -12.483 1.00 22.84 N ATOM 1408 CA GLN A 539 -5.624 -35.332 -12.482 1.00 23.48 C ATOM 1409 C GLN A 539 -6.772 -35.656 -11.523 1.00 22.94 C ATOM 1410 O GLN A 539 -7.682 -36.393 -11.879 1.00 23.06 O ATOM 1411 CB GLN A 539 -4.384 -36.161 -12.124 1.00 24.39 C ATOM 1412 CG GLN A 539 -3.275 -36.116 -13.170 1.00 25.15 C ATOM 1413 CD GLN A 539 -1.973 -36.709 -12.657 1.00 26.57 C ATOM 1414 OE1 GLN A 539 -1.971 -37.465 -11.696 1.00 27.40 O ATOM 1415 NE2 GLN A 539 -0.855 -36.349 -13.285 1.00 27.72 N ATOM 1416 HE22 GLN A 539 -0.901 -35.703 -14.099 1.00 0.00 H ATOM 1417 HE21 GLN A 539 0.064 -36.714 -12.961 1.00 0.00 H ATOM 1418 H GLN A 539 -4.352 -33.607 -12.193 1.00 0.00 H ATOM 1419 N VAL A 540 -6.745 -35.089 -10.319 1.00 22.21 N ATOM 1420 CA VAL A 540 -7.813 -35.334 -9.341 1.00 21.79 C ATOM 1421 C VAL A 540 -9.156 -34.792 -9.840 1.00 21.36 C ATOM 1422 O VAL A 540 -10.177 -35.471 -9.751 1.00 20.46 O ATOM 1423 CB VAL A 540 -7.482 -34.733 -7.956 1.00 21.96 C ATOM 1424 CG1 VAL A 540 -8.685 -34.803 -7.026 1.00 22.03 C ATOM 1425 CG2 VAL A 540 -6.305 -35.462 -7.326 1.00 22.22 C ATOM 1426 H VAL A 540 -5.955 -34.462 -10.067 1.00 0.00 H ATOM 1427 N LEU A 541 -9.149 -33.569 -10.352 1.00 22.21 N ATOM 1428 CA LEU A 541 -10.364 -32.934 -10.866 1.00 23.68 C ATOM 1429 C LEU A 541 -11.030 -33.743 -11.981 1.00 24.83 C ATOM 1430 O LEU A 541 -12.251 -33.922 -11.962 1.00 25.39 O ATOM 1431 CB LEU A 541 -10.063 -31.521 -11.364 1.00 23.43 C ATOM 1432 CG LEU A 541 -9.752 -30.497 -10.266 1.00 23.34 C ATOM 1433 CD1 LEU A 541 -9.163 -29.229 -10.859 1.00 23.17 C ATOM 1434 CD2 LEU A 541 -11.004 -30.184 -9.452 1.00 23.39 C ATOM 1435 H LEU A 541 -8.252 -33.044 -10.390 1.00 0.00 H ATOM 1436 N LYS A 542 -10.230 -34.225 -12.934 1.00 26.65 N ATOM 1437 CA LYS A 542 -10.742 -35.023 -14.056 1.00 28.19 C ATOM 1438 C LYS A 542 -11.357 -36.333 -13.596 1.00 26.88 C ATOM 1439 O LYS A 542 -12.343 -36.772 -14.167 1.00 26.78 O ATOM 1440 CB LYS A 542 -9.647 -35.342 -15.074 1.00 31.11 C ATOM 1441 CG LYS A 542 -9.182 -34.163 -15.907 1.00 34.41 C ATOM 1442 CD LYS A 542 -8.246 -34.616 -17.028 1.00 37.24 C ATOM 1443 CE LYS A 542 -8.842 -34.352 -18.405 1.00 39.87 C ATOM 1444 NZ LYS A 542 -8.964 -32.887 -18.682 1.00 41.84 N ATOM 1445 HZ1 LYS A 542 -9.581 -32.451 -17.968 1.00 0.00 H ATOM 1446 HZ2 LYS A 542 -8.022 -32.448 -18.642 1.00 0.00 H ATOM 1447 HZ3 LYS A 542 -9.373 -32.747 -19.628 1.00 0.00 H ATOM 1448 H LYS A 542 -9.210 -34.029 -12.881 1.00 0.00 H ATOM 1449 N ILE A 543 -10.769 -36.964 -12.582 1.00 25.36 N ATOM 1450 CA ILE A 543 -11.327 -38.196 -12.032 1.00 24.42 C ATOM 1451 C ILE A 543 -12.655 -37.909 -11.325 1.00 24.87 C ATOM 1452 O ILE A 543 -13.635 -38.633 -11.515 1.00 24.53 O ATOM 1453 CB ILE A 543 -10.334 -38.897 -11.072 1.00 24.63 C ATOM 1454 CG1 ILE A 543 -9.131 -39.434 -11.862 1.00 24.65 C ATOM 1455 CG2 ILE A 543 -11.009 -40.043 -10.320 1.00 24.01 C ATOM 1456 CD1 ILE A 543 -7.930 -39.801 -11.007 1.00 25.18 C ATOM 1457 H ILE A 543 -9.896 -36.572 -12.174 1.00 0.00 H ATOM 1458 N ILE A 544 -12.689 -36.847 -10.524 1.00 24.64 N ATOM 1459 CA ILE A 544 -13.905 -36.458 -9.826 1.00 25.11 C ATOM 1460 C ILE A 544 -15.021 -36.151 -10.820 1.00 26.51 C ATOM 1461 O ILE A 544 -16.145 -36.633 -10.667 1.00 26.54 O ATOM 1462 CB ILE A 544 -13.683 -35.228 -8.927 1.00 24.68 C ATOM 1463 CG1 ILE A 544 -12.834 -35.611 -7.712 1.00 24.68 C ATOM 1464 CG2 ILE A 544 -15.021 -34.636 -8.487 1.00 24.85 C ATOM 1465 CD1 ILE A 544 -12.307 -34.430 -6.928 1.00 24.82 C ATOM 1466 H ILE A 544 -11.826 -36.282 -10.394 1.00 0.00 H ATOM 1467 N ALA A 545 -14.707 -35.335 -11.821 1.00 28.04 N ATOM 1468 CA ALA A 545 -15.692 -34.927 -12.820 1.00 29.30 C ATOM 1469 C ALA A 545 -16.260 -36.102 -13.600 1.00 31.30 C ATOM 1470 O ALA A 545 -17.443 -36.099 -13.945 1.00 31.97 O ATOM 1471 CB ALA A 545 -15.090 -33.910 -13.776 1.00 29.66 C ATOM 1472 H ALA A 545 -13.733 -34.977 -11.895 1.00 0.00 H ATOM 1473 N SER A 546 -15.432 -37.110 -13.861 1.00 32.61 N ATOM 1474 CA SER A 546 -15.846 -38.249 -14.675 1.00 33.98 C ATOM 1475 C SER A 546 -16.329 -39.461 -13.869 1.00 34.79 C ATOM 1476 O SER A 546 -16.719 -40.473 -14.459 1.00 35.46 O ATOM 1477 CB SER A 546 -14.706 -38.667 -15.607 1.00 35.12 C ATOM 1478 OG SER A 546 -13.712 -39.379 -14.900 1.00 37.65 O ATOM 1479 HG SER A 546 -13.343 -38.804 -14.183 1.00 0.00 H ATOM 1480 H SER A 546 -14.466 -37.086 -13.476 1.00 0.00 H ATOM 1481 N TYR A 547 -16.316 -39.382 -12.539 1.00 34.08 N ATOM 1482 CA TYR A 547 -16.788 -40.505 -11.734 1.00 33.46 C ATOM 1483 C TYR A 547 -18.310 -40.570 -11.814 1.00 34.35 C ATOM 1484 O TYR A 547 -18.977 -39.552 -11.674 1.00 34.71 O ATOM 1485 CB TYR A 547 -16.342 -40.385 -10.275 1.00 32.00 C ATOM 1486 CG TYR A 547 -16.802 -41.549 -9.435 1.00 30.65 C ATOM 1487 CD1 TYR A 547 -16.214 -42.807 -9.574 1.00 31.34 C ATOM 1488 CD2 TYR A 547 -17.836 -41.410 -8.520 1.00 30.11 C ATOM 1489 CE1 TYR A 547 -16.643 -43.890 -8.817 1.00 30.95 C ATOM 1490 CE2 TYR A 547 -18.269 -42.485 -7.756 1.00 30.00 C ATOM 1491 CZ TYR A 547 -17.673 -43.723 -7.909 1.00 30.40 C ATOM 1492 OH TYR A 547 -18.095 -44.796 -7.149 1.00 30.53 O ATOM 1493 HH TYR A 547 -17.564 -45.597 -7.387 1.00 0.00 H ATOM 1494 H TYR A 547 -15.969 -38.519 -12.074 1.00 0.00 H ATOM 1495 N LYS A 548 -18.849 -41.766 -12.038 1.00 36.81 N ATOM 1496 CA LYS A 548 -20.300 -41.959 -12.180 1.00 39.27 C ATOM 1497 C LYS A 548 -20.818 -42.962 -11.156 1.00 39.15 C ATOM 1498 O LYS A 548 -20.114 -43.902 -10.789 1.00 40.56 O ATOM 1499 CB LYS A 548 -20.642 -42.434 -13.598 1.00 39.48 C ATOM 1500 H LYS A 548 -18.223 -42.593 -12.115 1.00 0.00 H TER 1501 LYS A 548 HETATM 1502 O HOH 1 -17.293 -27.921 13.461 1.00 13.70 O HETATM 1503 O HOH 2 -10.618 -9.691 8.868 1.00 26.00 O HETATM 1504 O HOH 3 -20.978 -32.631 13.605 1.00 13.64 O HETATM 1505 O HOH 4 -15.909 -30.500 13.716 1.00 10.74 O HETATM 1506 O HOH 5 -21.058 -12.470 11.301 1.00 17.96 O HETATM 1507 O HOH 6 -11.040 -26.369 6.788 1.00 11.83 O HETATM 1508 O HOH 7 -17.933 -18.897 9.798 1.00 23.34 O HETATM 1509 O HOH 8 -3.094 -8.038 0.142 1.00 37.19 O HETATM 1510 O HOH 9 1.045 -39.450 -8.511 1.00 22.90 O HETATM 1511 O HOH 10 -11.156 -18.594 -6.697 1.00 15.38 O HETATM 1512 O HOH 11 -26.875 -28.625 2.167 1.00 22.05 O HETATM 1513 O HOH 12 0.639 -27.585 1.937 1.00 21.77 O HETATM 1514 O HOH 13 -10.355 -20.489 12.658 1.00 21.68 O HETATM 1515 O HOH 14 0.614 -18.257 -1.011 1.00 29.89 O HETATM 1516 O HOH 15 -6.922 -32.834 8.915 1.00 19.18 O HETATM 1517 O HOH 16 -16.774 -20.631 15.984 1.00 21.62 O HETATM 1518 O HOH 17 -4.737 -14.169 6.463 1.00 24.23 O HETATM 1519 O HOH 18 -17.723 -9.358 9.392 1.00 25.35 O HETATM 1520 O HOH 19 -18.551 -22.480 14.911 1.00 18.38 O HETATM 1521 O HOH 20 -19.671 -10.993 9.256 1.00 24.37 O HETATM 1522 O HOH 21 -1.927 -25.849 -6.055 1.00 17.03 O HETATM 1523 O HOH 22 -22.939 -27.499 10.953 1.00 22.55 O HETATM 1524 O HOH 23 -24.076 -25.516 12.990 1.00 25.93 O HETATM 1525 O HOH 24 -31.789 -20.137 5.972 1.00 35.16 O HETATM 1526 O HOH 25 -12.775 -10.912 -0.791 1.00 26.67 O HETATM 1527 O HOH 26 -20.592 -24.414 17.878 1.00 20.62 O HETATM 1528 O HOH 27 -8.181 -11.496 4.961 1.00 20.51 O HETATM 1529 O HOH 28 -1.192 -33.585 4.618 1.00 14.63 O HETATM 1530 O HOH 29 -1.612 -32.981 -15.250 1.00 32.57 O HETATM 1531 O HOH 30 -6.009 -26.589 8.810 1.00 20.86 O HETATM 1532 O HOH 31 -1.185 -36.312 0.797 1.00 18.77 O HETATM 1533 O HOH 32 -19.108 -16.901 11.169 1.00 22.18 O HETATM 1534 O HOH 33 -2.569 -14.969 5.086 1.00 27.03 O HETATM 1535 O HOH 34 -9.164 -18.067 11.868 1.00 19.99 O HETATM 1536 O HOH 35 -21.027 -35.474 -1.811 1.00 23.28 O HETATM 1537 O HOH 36 -20.444 -14.480 18.153 1.00 17.16 O HETATM 1538 O HOH 37 -0.735 -20.167 0.996 1.00 20.66 O HETATM 1539 O HOH 38 -18.006 -14.979 3.860 1.00 27.67 O HETATM 1540 O HOH 39 -23.069 -26.753 17.777 1.00 26.70 O HETATM 1541 O HOH 40 -18.593 -34.410 13.908 1.00 23.99 O HETATM 1542 O HOH 41 3.036 -30.440 2.161 1.00 22.48 O HETATM 1543 O HOH 42 -8.241 -14.468 -6.285 1.00 20.71 O HETATM 1544 O HOH 43 -0.106 -39.216 -11.005 1.00 26.51 O HETATM 1545 O HOH 44 -16.625 -36.924 2.618 1.00 22.60 O HETATM 1546 O HOH 45 -1.832 -17.428 -5.631 1.00 28.48 O HETATM 1547 O HOH 46 -20.288 -25.978 20.261 1.00 34.05 O HETATM 1548 O HOH 47 -21.644 -16.664 0.718 1.00 33.26 O HETATM 1549 O HOH 48 -13.511 -15.068 -6.632 1.00 26.99 O HETATM 1550 O HOH 49 -9.214 -16.778 -7.161 1.00 22.97 O HETATM 1551 O HOH 50 -0.075 -22.966 0.589 1.00 20.29 O HETATM 1552 O HOH 51 -16.064 -19.262 12.471 1.00 23.91 O HETATM 1553 O HOH 52 0.864 -29.404 4.207 1.00 27.31 O HETATM 1554 O HOH 53 -9.094 -43.629 -10.764 1.00 30.85 O HETATM 1555 O HOH 54 2.707 -27.596 -0.011 1.00 26.19 O HETATM 1556 O HOH 55 4.545 -40.735 -7.321 1.00 34.88 O HETATM 1557 O HOH 56 2.569 -31.684 4.666 1.00 36.87 O HETATM 1558 O HOH 57 -16.086 -16.717 14.022 1.00 19.48 O HETATM 1559 O HOH 58 7.640 -33.971 0.405 1.00 24.14 O HETATM 1560 O HOH 59 -15.279 -37.174 11.307 1.00 23.90 O HETATM 1561 O HOH 60 -14.152 -11.441 3.409 1.00 33.14 O HETATM 1562 O HOH 61 -16.434 -47.190 -7.927 1.00 43.49 O HETATM 1563 O HOH 62 -23.958 -29.491 13.602 1.00 24.95 O HETATM 1564 O HOH 63 -14.306 -14.426 14.443 1.00 29.67 O HETATM 1565 O HOH 64 -7.080 -38.096 -13.997 1.00 31.80 O HETATM 1566 O HOH 65 -18.559 -19.409 13.782 1.00 27.87 O HETATM 1567 O HOH 66 -0.686 -36.329 5.259 1.00 26.80 O HETATM 1568 O HOH 67 9.463 -32.669 -3.010 1.00 24.55 O HETATM 1569 O HOH 68 -22.713 -22.998 -5.136 1.00 35.13 O HETATM 1570 O HOH 69 -5.150 -33.536 10.986 1.00 45.05 O HETATM 1571 O HOH 70 -19.021 -37.479 3.684 1.00 28.11 O HETATM 1572 O HOH 71 -11.643 -9.797 4.747 1.00 33.91 O HETATM 1573 O HOH 72 3.297 -35.825 5.825 1.00 28.75 O HETATM 1574 O HOH 73 0.478 -32.283 6.697 1.00 37.99 O HETATM 1575 O HOH 74 -21.816 -15.406 10.018 1.00 7.18 O HETATM 1576 O HOH 75 -23.773 -35.934 -2.919 1.00 28.74 O HETATM 1577 O HOH 76 -23.198 -16.553 7.580 1.00 25.64 O HETATM 1578 O HOH 77 -22.905 -31.317 -8.469 1.00 35.96 O HETATM 1579 O HOH 78 -26.052 -28.158 11.229 1.00 31.11 O HETATM 1580 O HOH 79 -9.654 -21.324 15.371 1.00 29.01 O HETATM 1581 O HOH 80 -0.624 -20.518 7.885 1.00 22.74 O HETATM 1582 O HOH 81 -14.271 -45.250 5.766 1.00 33.49 O HETATM 1583 O HOH 82 -12.549 -46.248 -1.546 1.00 29.07 O HETATM 1584 O HOH 83 -6.703 -32.837 13.149 1.00 39.21 O HETATM 1585 O HOH 84 -18.197 -14.081 -3.204 1.00 37.25 O HETATM 1586 O HOH 85 -11.230 -39.214 2.640 1.00 43.31 O HETATM 1587 O HOH 86 -17.019 -44.065 1.375 1.00 41.05 O HETATM 1588 O HOH 87 -21.384 -27.186 -11.102 1.00 36.64 O HETATM 1589 O HOH 88 -5.455 -28.696 10.816 1.00 32.14 O HETATM 1590 O HOH 89 -10.007 -13.969 14.771 1.00 39.79 O HETATM 1591 O HOH 90 -8.195 -26.443 15.750 1.00 42.76 O HETATM 1592 O HOH 91 -5.697 -9.568 -4.104 1.00 31.99 O HETATM 1593 O HOH 92 -10.227 -36.772 16.088 1.00 49.74 O HETATM 1594 O HOH 93 -0.189 -29.025 8.665 1.00 30.79 O HETATM 1595 O HOH 94 5.524 -37.476 -9.280 1.00 20.92 O HETATM 1596 O HOH 95 -11.028 -22.765 -15.954 1.00 32.25 O HETATM 1597 O HOH 96 -25.894 -28.546 8.633 1.00 28.57 O HETATM 1598 O HOH 97 5.453 -41.748 1.715 1.00 33.73 O HETATM 1599 O HOH 98 -0.280 -28.637 -15.001 1.00 29.91 O HETATM 1600 O HOH 99 -12.404 -39.155 -27.757 1.00 47.55 O HETATM 1601 O HOH 100 -27.060 -26.337 7.291 1.00 32.03 O HETATM 1602 O HOH 101 -1.697 -29.562 5.716 1.00 28.76 O HETATM 1603 O HOH 102 -22.922 -18.830 -6.391 1.00 39.45 O HETATM 1604 O HOH 103 -9.949 -44.833 5.205 1.00 47.47 O HETATM 1605 O HOH 104 -8.095 -44.792 1.615 1.00 35.73 O HETATM 1606 O HOH 105 -3.083 -19.069 -16.675 1.00 50.34 O HETATM 1607 O HOH 106 -3.397 -37.721 9.993 1.00 47.98 O HETATM 1608 O HOH 107 -17.486 -26.353 20.916 1.00 39.70 O HETATM 1609 O HOH 108 -15.972 -13.978 16.963 1.00 36.57 O HETATM 1610 O HOH 109 -6.287 -36.611 7.481 1.00 36.21 O HETATM 1611 O HOH 110 -11.397 -30.735 15.568 1.00 43.61 O HETATM 1612 O HOH 111 -7.102 -36.560 1.923 1.00 34.27 O HETATM 1613 O HOH 112 -20.881 -40.506 -6.543 1.00 28.68 O HETATM 1614 O HOH 113 -4.503 -10.938 4.012 1.00 30.90 O HETATM 1615 O HOH 114 8.381 -36.585 -1.901 1.00 40.47 O HETATM 1616 O HOH 115 7.130 -29.886 1.380 1.00 38.33 O HETATM 1617 O HOH 116 -19.405 -16.458 -5.482 1.00 42.56 O HETATM 1618 O HOH 117 -23.934 -24.580 -2.958 1.00 33.35 O HETATM 1619 O HOH 118 -5.158 -6.544 -0.700 1.00 45.68 O HETATM 1620 O HOH 119 -29.516 -22.102 0.194 1.00 39.54 O HETATM 1621 O HOH 120 -23.752 -36.268 -7.184 1.00 41.71 O HETATM 1622 O HOH 121 -10.143 -15.609 -13.588 1.00 43.53 O HETATM 1623 O HOH 122 5.034 -38.334 8.432 1.00 48.03 O HETATM 1624 O HOH 123 -24.137 -38.115 -0.864 1.00 39.37 O HETATM 1625 O HOH 124 5.227 -28.024 1.316 1.00 35.50 O HETATM 1626 O HOH 125 -24.422 -26.844 -4.673 1.00 44.32 O HETATM 1627 O HOH 126 -10.426 -17.610 -11.882 1.00 50.15 O HETATM 1628 O HOH 127 -4.597 -30.838 -18.902 1.00 38.54 O HETATM 1629 O HOH 128 -16.256 -13.004 4.142 1.00 40.29 O HETATM 1630 O HOH 129 -8.706 -38.437 14.120 1.00 44.22 O HETATM 1631 O HOH 130 -31.720 -21.953 2.212 1.00 43.17 O HETATM 1632 O HOH 131 0.314 -41.911 3.839 1.00 39.78 O HETATM 1633 O HOH 132 -2.460 -45.853 -2.719 1.00 44.79 O HETATM 1634 O HOH 133 -20.995 -37.799 1.622 1.00 34.17 O HETATM 1635 O HOH 134 1.276 -23.280 8.581 1.00 41.63 O HETATM 1636 O HOH 135 2.463 -23.359 6.180 1.00 49.40 O HETATM 1637 O HOH 136 -24.672 -28.393 -11.577 1.00 38.31 O HETATM 1638 O HOH 137 -12.357 -8.422 10.389 1.00 51.04 O HETATM 1639 O5' UNN A 138 -9.175 -29.262 14.542 1.00 -0.39 O HETATM 1640 C5' UNN A 138 -8.659 -29.055 13.245 1.00 0.07 C HETATM 1641 C4' UNN A 138 -9.111 -30.200 12.353 1.00 0.11 C HETATM 1642 O4' UNN A 138 -10.540 -30.186 12.180 1.00 -0.34 O HETATM 1643 C1' UNN A 138 -10.868 -30.461 10.821 1.00 0.20 C HETATM 1644 C2' UNN A 138 -9.557 -30.749 10.096 1.00 0.14 C HETATM 1645 C3' UNN A 138 -8.509 -30.082 10.964 1.00 0.11 C HETATM 1646 O3' UNN A 138 -7.227 -30.694 10.842 1.00 -0.39 O HETATM 1647 H UNN A 138 -6.622 -30.284 11.449 1.00 0.21 H HETATM 1648 H UNN A 138 -8.407 -29.022 10.688 1.00 0.06 H HETATM 1649 O2' UNN A 138 -9.331 -32.151 9.987 1.00 -0.38 O HETATM 1650 H UNN A 138 -8.477 -32.304 9.599 1.00 0.21 H HETATM 1651 H UNN A 138 -9.564 -30.305 9.089 1.00 0.07 H HETATM 1652 N9 UNN A 138 -11.542 -29.234 10.337 1.00 -0.19 N HETATM 1653 C8 UNN A 138 -10.967 -28.147 9.773 1.00 0.11 C HETATM 1654 N7 UNN A 138 -11.896 -27.202 9.490 1.00 -0.30 N HETATM 1655 C5 UNN A 138 -13.084 -27.682 9.885 1.00 0.10 C HETATM 1656 C6 UNN A 138 -14.481 -27.193 9.868 1.00 0.13 C HETATM 1657 N6 UNN A 138 -14.750 -25.959 9.393 1.00 -0.30 N HETATM 1658 CZ UNN A 138 -16.062 -25.351 9.534 1.00 0.02 C HETATM 1659 H UNN A 138 -16.053 -24.351 9.077 1.00 0.05 H HETATM 1660 H UNN A 138 -16.313 -25.264 10.601 1.00 0.05 H HETATM 1661 H UNN A 138 -16.813 -25.978 9.030 1.00 0.05 H HETATM 1662 H UNN A 138 -14.004 -25.433 8.917 1.00 0.19 H HETATM 1663 N1 UNN A 138 -15.430 -28.015 10.386 1.00 -0.27 N HETATM 1664 C2 UNN A 138 -15.139 -29.223 10.894 1.00 0.05 C HETATM 1665 N3 UNN A 138 -13.896 -29.726 10.934 1.00 -0.27 N HETATM 1666 C4 UNN A 138 -12.847 -29.016 10.450 1.00 0.16 C HETATM 1667 H UNN A 138 -15.950 -29.823 11.292 1.00 0.10 H HETATM 1668 H UNN A 138 -9.901 -28.045 9.573 1.00 0.13 H HETATM 1669 H UNN A 138 -11.542 -31.326 10.734 1.00 0.10 H HETATM 1670 H UNN A 138 -8.802 -31.151 12.812 1.00 0.06 H HETATM 1671 H UNN A 138 -7.560 -29.027 13.284 1.00 0.06 H HETATM 1672 H UNN A 138 -9.036 -28.102 12.844 1.00 0.06 H HETATM 1673 H UNN A 138 -10.124 -29.287 14.504 1.00 0.21 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1639 1640 1673 CONECT 1640 1639 1641 1671 1672 CONECT 1641 1640 1642 1645 1670 CONECT 1642 1641 1643 CONECT 1643 1642 1644 1652 1669 CONECT 1644 1643 1645 1649 1651 CONECT 1645 1641 1644 1646 1648 CONECT 1646 1645 1647 CONECT 1647 1646 CONECT 1648 1645 CONECT 1649 1644 1650 CONECT 1650 1649 CONECT 1651 1644 CONECT 1652 1643 1653 1666 CONECT 1653 1652 1654 1668 CONECT 1654 1653 1655 CONECT 1655 1654 1656 1666 CONECT 1656 1655 1657 1663 CONECT 1657 1656 1658 1662 CONECT 1658 1657 1659 1660 1661 CONECT 1659 1658 CONECT 1660 1658 CONECT 1661 1658 CONECT 1662 1657 CONECT 1663 1656 1664 CONECT 1664 1663 1665 1667 CONECT 1665 1664 1666 CONECT 1666 1652 1655 1665 CONECT 1667 1664 CONECT 1668 1653 CONECT 1669 1643 CONECT 1670 1641 CONECT 1671 1640 CONECT 1672 1640 CONECT 1673 1639 MASTER 0 0 0 0 0 0 0 0 1672 1 39 12 END
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Related entries of code: 4rdn
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4rdn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
YTH domain-containing family protein 2 YTH-YTHDF2
Ligand Name
6MD
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cell Res. Vol. 24: pp. 1490-1492
Ligand Properties
Formula
C
1
1
H
1
5
N
5
O
4
Molecular Weight
281.268
Exact Mass
281.112
No. of atoms
35
No. of bonds
37
Polar Surface Area
125.55
LOGP Value
-1.24 (
Computed with XLOGP3
)
-1.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC
InChI String
InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9Y5A9
Entrez Gene ID
NCBI Entrez Gene ID:
51441
ASD
Information of known allosteric effects of PDB entries
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