Browse entries in the PDBbind-CN Database
HEADER 5WGQ_COMPLEX COMPND 5WGQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 25 LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU LEU SEQRES 2 A 25 ASP ALA GLU PRO PRO ILE LEU TYR SER GLU TYR ASP SEQRES 1 A 124 PRO PHE SER GLU ALA SER MET MET GLY LEU LEU THR ASN SEQRES 2 A 124 LEU ALA ASP ARG GLU LEU VAL HIS MET ILE ASN TRP ALA SEQRES 3 A 124 LYS ARG VAL PRO GLY PHE VAL ASP LEU THR LEU HIS ASP SEQRES 4 A 124 GLN VAL HIS LEU LEU GLU CYS ALA TRP LEU GLU ILE LEU SEQRES 5 A 124 MET ILE GLY LEU VAL TRP ARG SER MET GLU HIS PRO GLY SEQRES 6 A 124 LYS LEU LEU PHE ALA PRO ASN LEU LEU LEU ASP ARG ASN SEQRES 7 A 124 GLN GLY LYS CYS VAL GLU GLY MET VAL GLU ILE PHE ASP SEQRES 8 A 124 MET LEU LEU ALA THR SER SER ARG PHE ARG MET MET ASN SEQRES 9 A 124 LEU GLN GLY GLU GLU PHE VAL CYS LEU LYS SER ILE ILE SEQRES 10 A 124 LEU LEU ASN SER GLY VAL TYR SEQRES 1 A 82 LEU LYS SER LEU GLU GLU LYS ASP HIS ILE HIS ARG VAL SEQRES 2 A 82 LEU ASP LYS ILE THR ASP THR LEU ILE HIS LEU MET ALA SEQRES 3 A 82 LYS ALA GLY LEU THR LEU GLN GLN GLN HIS GLN ARG LEU SEQRES 4 A 82 ALA GLN LEU LEU LEU ILE LEU SER HIS ILE ARG HIS MET SEQRES 5 A 82 SER ASN LYS GLY MET GLU HIS LEU TYR SER MET LYS CYS SEQRES 6 A 82 LYS ASN VAL VAL PRO LEU SER ASP LEU LEU LEU GLU MET SEQRES 7 A 82 LEU ASP ALA HIS HET ACE A 281 189 ATOM 1 N LEU A 308 -35.179 7.584 -5.742 1.00 53.39 N ATOM 2 CA LEU A 308 -35.279 8.286 -7.016 1.00 52.99 C ATOM 3 C LEU A 308 -36.639 8.956 -7.170 1.00 54.25 C ATOM 4 O LEU A 308 -36.736 10.088 -7.646 1.00 54.41 O ATOM 5 CB LEU A 308 -35.032 7.325 -8.178 1.00 53.55 C ATOM 6 HN3 LEU A 308 -35.917 6.853 -5.691 1.00 0.00 H ATOM 7 HN2 LEU A 308 -35.306 8.262 -4.963 1.00 0.00 H ATOM 8 HN1 LEU A 308 -34.243 7.138 -5.666 1.00 0.00 H ATOM 9 N SER A 309 -37.691 8.253 -6.757 1.00 52.40 N ATOM 10 CA SER A 309 -39.048 8.784 -6.826 1.00 53.15 C ATOM 11 C SER A 309 -39.287 9.863 -5.773 1.00 52.48 C ATOM 12 O SER A 309 -40.201 9.753 -4.954 1.00 54.13 O ATOM 13 CB SER A 309 -40.071 7.658 -6.660 1.00 55.42 C ATOM 14 H SER A 309 -37.541 7.298 -6.374 1.00 0.00 H ATOM 15 N LEU A 310 -38.452 10.897 -5.793 1.00 53.27 N ATOM 16 CA LEU A 310 -38.617 12.058 -4.927 1.00 51.18 C ATOM 17 C LEU A 310 -38.650 13.296 -5.802 1.00 47.76 C ATOM 18 O LEU A 310 -38.020 13.327 -6.860 1.00 46.03 O ATOM 19 CB LEU A 310 -37.476 12.172 -3.907 1.00 50.91 C ATOM 20 CG LEU A 310 -36.997 10.960 -3.103 1.00 52.15 C ATOM 21 CD1 LEU A 310 -35.610 11.234 -2.542 1.00 50.55 C ATOM 22 CD2 LEU A 310 -37.960 10.617 -1.977 1.00 54.48 C ATOM 23 H LEU A 310 -37.649 10.877 -6.453 1.00 0.00 H ATOM 24 N THR A 311 -39.301 14.317 -5.321 1.00 46.63 N ATOM 25 CA THR A 311 -39.366 15.576 -5.981 1.00 45.48 C ATOM 26 C THR A 311 -38.005 16.252 -6.001 1.00 42.73 C ATOM 27 O THR A 311 -37.105 15.774 -5.388 1.00 42.18 O ATOM 28 CB THR A 311 -40.431 16.400 -5.254 1.00 47.72 C ATOM 29 OG1 THR A 311 -41.008 17.317 -6.164 1.00 48.28 O ATOM 30 CG2 THR A 311 -39.898 17.129 -4.060 1.00 49.89 C ATOM 31 HG1 THR A 311 -41.698 17.853 -5.698 1.00 0.00 H ATOM 32 H THR A 311 -39.796 14.207 -4.413 1.00 0.00 H ATOM 33 N ALA A 312 -37.867 17.377 -6.675 1.00 42.65 N ATOM 34 CA ALA A 312 -36.630 18.134 -6.583 1.00 40.42 C ATOM 35 C ALA A 312 -36.463 18.692 -5.172 1.00 39.59 C ATOM 36 O ALA A 312 -35.367 18.670 -4.618 1.00 38.19 O ATOM 37 CB ALA A 312 -36.610 19.248 -7.609 1.00 39.96 C ATOM 38 H ALA A 312 -38.644 17.723 -7.273 1.00 0.00 H ATOM 39 N ASP A 313 -37.560 19.171 -4.588 1.00 40.82 N ATOM 40 CA ASP A 313 -37.526 19.760 -3.250 1.00 42.34 C ATOM 41 C ASP A 313 -37.223 18.732 -2.168 1.00 41.49 C ATOM 42 O ASP A 313 -36.599 19.054 -1.157 1.00 41.06 O ATOM 43 CB ASP A 313 -38.853 20.452 -2.936 1.00 45.57 C ATOM 44 CG ASP A 313 -39.147 21.599 -3.877 1.00 47.52 C ATOM 45 OD1 ASP A 313 -38.282 22.490 -4.013 1.00 47.11 O ATOM 46 OD2 ASP A 313 -40.235 21.600 -4.489 1.00 49.49 O ATOM 47 H ASP A 313 -38.465 19.125 -5.097 1.00 0.00 H ATOM 48 N GLN A 314 -37.678 17.501 -2.381 1.00 41.82 N ATOM 49 CA GLN A 314 -37.434 16.416 -1.435 1.00 42.24 C ATOM 50 C GLN A 314 -35.992 15.946 -1.495 1.00 41.04 C ATOM 51 O GLN A 314 -35.439 15.476 -0.501 1.00 40.50 O ATOM 52 CB GLN A 314 -38.379 15.251 -1.707 1.00 44.01 C ATOM 53 CG GLN A 314 -39.830 15.668 -1.683 1.00 47.41 C ATOM 54 CD GLN A 314 -40.780 14.502 -1.583 1.00 50.79 C ATOM 55 OE1 GLN A 314 -40.507 13.411 -2.087 1.00 51.85 O ATOM 56 NE2 GLN A 314 -41.909 14.725 -0.922 1.00 52.84 N ATOM 57 HE22 GLN A 314 -42.096 15.663 -0.514 1.00 0.00 H ATOM 58 HE21 GLN A 314 -42.607 13.962 -0.812 1.00 0.00 H ATOM 59 H GLN A 314 -38.223 17.306 -3.245 1.00 0.00 H ATOM 60 N MET A 315 -35.394 16.066 -2.676 1.00 42.13 N ATOM 61 CA MET A 315 -33.991 15.740 -2.856 1.00 40.63 C ATOM 62 C MET A 315 -33.142 16.700 -2.026 1.00 39.58 C ATOM 63 O MET A 315 -32.282 16.272 -1.263 1.00 39.36 O ATOM 64 CB MET A 315 -33.610 15.804 -4.337 1.00 40.79 C ATOM 65 CG MET A 315 -32.157 15.461 -4.638 1.00 40.72 C ATOM 66 SD MET A 315 -31.709 13.770 -4.203 1.00 53.04 S ATOM 67 CE MET A 315 -32.853 12.844 -5.215 1.00 38.71 C ATOM 68 H MET A 315 -35.945 16.402 -3.492 1.00 0.00 H ATOM 69 N VAL A 316 -33.399 17.978 -2.123 1.00 39.21 N ATOM 70 CA VAL A 316 -32.685 18.961 -1.354 1.00 38.68 C ATOM 71 C VAL A 316 -32.941 18.783 0.123 1.00 39.81 C ATOM 72 O VAL A 316 -32.051 18.877 0.921 1.00 40.11 O ATOM 73 CB VAL A 316 -33.074 20.358 -1.798 1.00 39.24 C ATOM 74 CG1 VAL A 316 -32.460 21.399 -0.910 1.00 31.59 C ATOM 75 CG2 VAL A 316 -32.621 20.577 -3.200 1.00 31.04 C ATOM 76 H VAL A 316 -34.143 18.294 -2.777 1.00 0.00 H ATOM 77 N SER A 317 -34.169 18.495 0.492 1.00 39.66 N ATOM 78 CA SER A 317 -34.494 18.198 1.858 1.00 39.63 C ATOM 79 C SER A 317 -33.720 17.037 2.405 1.00 38.32 C ATOM 80 O SER A 317 -33.139 17.131 3.436 1.00 38.32 O ATOM 81 CB SER A 317 -35.972 17.904 2.011 1.00 41.59 C ATOM 82 OG SER A 317 -36.687 19.077 2.230 1.00 43.44 O ATOM 83 HG SER A 317 -37.649 18.863 2.327 1.00 0.00 H ATOM 84 H SER A 317 -34.924 18.482 -0.223 1.00 0.00 H ATOM 85 N ALA A 318 -33.748 15.927 1.704 1.00 38.33 N ATOM 86 CA ALA A 318 -33.058 14.715 2.131 1.00 38.26 C ATOM 87 C ALA A 318 -31.571 14.969 2.356 1.00 38.50 C ATOM 88 O ALA A 318 -31.034 14.639 3.413 1.00 38.50 O ATOM 89 CB ALA A 318 -33.254 13.609 1.113 1.00 37.97 C ATOM 90 H ALA A 318 -34.282 15.912 0.812 1.00 0.00 H ATOM 91 N LEU A 319 -30.915 15.570 1.364 1.00 38.33 N ATOM 92 CA LEU A 319 -29.488 15.862 1.459 1.00 37.13 C ATOM 93 C LEU A 319 -29.177 16.848 2.592 1.00 38.28 C ATOM 94 O LEU A 319 -28.184 16.684 3.303 1.00 37.55 O ATOM 95 CB LEU A 319 -28.967 16.407 0.126 1.00 36.62 C ATOM 96 CG LEU A 319 -29.055 15.464 -1.080 1.00 37.03 C ATOM 97 CD1 LEU A 319 -28.416 16.085 -2.304 1.00 35.75 C ATOM 98 CD2 LEU A 319 -28.401 14.133 -0.763 1.00 37.36 C ATOM 99 H LEU A 319 -31.432 15.837 0.502 1.00 0.00 H ATOM 100 N LEU A 320 -30.021 17.862 2.761 1.00 37.42 N ATOM 101 CA LEU A 320 -29.844 18.829 3.839 1.00 39.30 C ATOM 102 C LEU A 320 -29.936 18.163 5.208 1.00 41.97 C ATOM 103 O LEU A 320 -29.136 18.444 6.100 1.00 41.86 O ATOM 104 CB LEU A 320 -30.880 19.952 3.745 1.00 40.23 C ATOM 105 CG LEU A 320 -30.588 21.101 2.778 1.00 40.28 C ATOM 106 CD1 LEU A 320 -31.716 22.126 2.811 1.00 41.33 C ATOM 107 CD2 LEU A 320 -29.245 21.753 3.086 1.00 39.69 C ATOM 108 H LEU A 320 -30.825 17.968 2.110 1.00 0.00 H ATOM 109 N ASP A 321 -30.911 17.275 5.368 1.00 43.29 N ATOM 110 CA ASP A 321 -31.142 16.609 6.647 1.00 44.63 C ATOM 111 C ASP A 321 -30.055 15.596 6.993 1.00 42.49 C ATOM 112 O ASP A 321 -29.945 15.166 8.139 1.00 43.25 O ATOM 113 CB ASP A 321 -32.503 15.908 6.645 1.00 47.51 C ATOM 114 CG ASP A 321 -33.662 16.882 6.688 1.00 50.64 C ATOM 115 OD1 ASP A 321 -33.434 18.071 7.003 1.00 51.19 O ATOM 116 OD2 ASP A 321 -34.806 16.451 6.420 1.00 52.32 O ATOM 117 H ASP A 321 -31.526 17.048 4.561 1.00 0.00 H ATOM 118 N ALA A 322 -29.256 15.210 6.006 1.00 41.48 N ATOM 119 CA ALA A 322 -28.253 14.173 6.216 1.00 41.80 C ATOM 120 C ALA A 322 -26.849 14.741 6.449 1.00 41.19 C ATOM 121 O ALA A 322 -25.901 13.987 6.681 1.00 41.39 O ATOM 122 CB ALA A 322 -28.241 13.218 5.034 1.00 41.40 C ATOM 123 H ALA A 322 -29.347 15.653 5.070 1.00 0.00 H ATOM 124 N GLU A 323 -26.725 16.064 6.388 1.00 39.76 N ATOM 125 CA GLU A 323 -25.433 16.728 6.529 1.00 38.36 C ATOM 126 C GLU A 323 -24.706 16.311 7.802 1.00 38.56 C ATOM 127 O GLU A 323 -25.310 16.226 8.866 1.00 40.52 O ATOM 128 CB GLU A 323 -25.617 18.247 6.508 1.00 38.33 C ATOM 129 CG GLU A 323 -25.701 18.843 5.111 1.00 37.96 C ATOM 130 CD GLU A 323 -24.400 18.700 4.336 1.00 36.59 C ATOM 131 OE1 GLU A 323 -23.458 19.478 4.602 1.00 35.09 O ATOM 132 OE2 GLU A 323 -24.319 17.807 3.463 1.00 36.22 O ATOM 133 H GLU A 323 -27.575 16.643 6.235 1.00 0.00 H ATOM 134 N PRO A 324 -23.405 16.020 7.694 1.00 39.38 N ATOM 135 CA PRO A 324 -22.646 15.721 8.911 1.00 39.18 C ATOM 136 C PRO A 324 -22.482 16.960 9.780 1.00 39.50 C ATOM 137 O PRO A 324 -22.631 18.080 9.288 1.00 40.01 O ATOM 138 CB PRO A 324 -21.291 15.239 8.377 1.00 37.29 C ATOM 139 CG PRO A 324 -21.183 15.841 7.029 1.00 36.92 C ATOM 140 CD PRO A 324 -22.586 15.861 6.481 1.00 37.52 C ATOM 141 N PRO A 325 -22.186 16.765 11.070 1.00 36.23 N ATOM 142 CA PRO A 325 -21.960 17.919 11.931 1.00 36.04 C ATOM 143 C PRO A 325 -20.619 18.567 11.656 1.00 35.43 C ATOM 144 O PRO A 325 -19.697 17.929 11.144 1.00 34.96 O ATOM 145 CB PRO A 325 -21.983 17.315 13.327 1.00 37.49 C ATOM 146 CG PRO A 325 -21.501 15.929 13.135 1.00 37.12 C ATOM 147 CD PRO A 325 -22.044 15.494 11.804 1.00 36.50 C ATOM 148 N ILE A 326 -20.519 19.843 11.989 1.00 36.49 N ATOM 149 CA ILE A 326 -19.239 20.511 11.974 1.00 34.82 C ATOM 150 C ILE A 326 -18.509 20.117 13.252 1.00 34.55 C ATOM 151 O ILE A 326 -18.980 20.388 14.358 1.00 35.39 O ATOM 152 CB ILE A 326 -19.400 22.026 11.857 1.00 35.07 C ATOM 153 CG1 ILE A 326 -19.959 22.369 10.466 1.00 32.53 C ATOM 154 CG2 ILE A 326 -18.073 22.721 12.108 1.00 35.82 C ATOM 155 CD1 ILE A 326 -20.052 23.842 10.176 1.00 31.77 C ATOM 156 H ILE A 326 -21.372 20.371 12.265 1.00 0.00 H ATOM 157 N LEU A 327 -17.383 19.434 13.088 1.00 32.79 N ATOM 158 CA LEU A 327 -16.617 18.939 14.222 1.00 34.38 C ATOM 159 C LEU A 327 -15.637 19.980 14.728 1.00 35.82 C ATOM 160 O LEU A 327 -15.366 20.982 14.060 1.00 31.20 O ATOM 161 CB LEU A 327 -15.861 17.659 13.856 1.00 34.03 C ATOM 162 CG LEU A 327 -16.694 16.406 13.574 1.00 33.56 C ATOM 163 CD1 LEU A 327 -15.797 15.211 13.314 1.00 31.71 C ATOM 164 CD2 LEU A 327 -17.654 16.119 14.715 1.00 34.85 C ATOM 165 H LEU A 327 -17.039 19.248 12.124 1.00 0.00 H ATOM 166 N TYR A 328 -15.105 19.722 15.916 1.00 34.24 N ATOM 167 CA TYR A 328 -14.130 20.602 16.534 1.00 34.38 C ATOM 168 C TYR A 328 -12.769 19.965 16.591 1.00 34.00 C ATOM 169 O TYR A 328 -12.634 18.744 16.494 1.00 35.29 O ATOM 170 CB TYR A 328 -14.558 20.977 17.947 1.00 36.36 C ATOM 171 CG TYR A 328 -15.630 22.013 17.959 1.00 38.04 C ATOM 172 CD1 TYR A 328 -16.945 21.669 17.694 1.00 39.00 C ATOM 173 CD2 TYR A 328 -15.329 23.343 18.216 1.00 39.26 C ATOM 174 CE1 TYR A 328 -17.934 22.615 17.694 1.00 40.89 C ATOM 175 CE2 TYR A 328 -16.312 24.297 18.221 1.00 41.37 C ATOM 176 CZ TYR A 328 -17.614 23.926 17.958 1.00 42.78 C ATOM 177 OH TYR A 328 -18.608 24.868 17.947 1.00 45.74 O ATOM 178 HH TYR A 328 -19.473 24.431 17.743 1.00 0.00 H ATOM 179 H TYR A 328 -15.396 18.861 16.421 1.00 0.00 H ATOM 180 N SER A 329 -11.763 20.809 16.753 1.00 34.92 N ATOM 181 CA SER A 329 -10.422 20.351 17.056 1.00 35.76 C ATOM 182 C SER A 329 -10.116 20.736 18.498 1.00 38.92 C ATOM 183 O SER A 329 -11.037 20.938 19.297 1.00 40.24 O ATOM 184 CB SER A 329 -9.407 20.960 16.092 1.00 32.75 C ATOM 185 OG SER A 329 -8.084 20.679 16.502 1.00 34.60 O ATOM 186 HG SER A 329 -7.448 21.085 15.861 1.00 0.00 H ATOM 187 H SER A 329 -11.940 21.830 16.660 1.00 0.00 H ATOM 188 N GLU A 330 -8.836 20.846 18.831 1.00 38.48 N ATOM 189 CA GLU A 330 -8.440 21.193 20.191 1.00 40.58 C ATOM 190 C GLU A 330 -8.363 22.711 20.383 1.00 42.79 C ATOM 191 O GLU A 330 -8.098 23.456 19.442 1.00 42.16 O ATOM 192 CB GLU A 330 -7.097 20.547 20.533 1.00 39.78 C ATOM 193 H GLU A 330 -8.104 20.682 18.111 1.00 0.00 H ATOM 194 N TYR A 331 -8.595 23.161 21.613 1.00 45.24 N ATOM 195 CA TYR A 331 -8.619 24.585 21.925 1.00 46.79 C ATOM 196 C TYR A 331 -7.231 25.156 22.215 1.00 48.83 C ATOM 197 O TYR A 331 -6.997 26.344 22.012 1.00 50.63 O ATOM 198 CB TYR A 331 -9.538 24.851 23.117 1.00 47.46 C ATOM 199 H TYR A 331 -8.765 22.475 22.376 1.00 0.00 H ATOM 200 N ASP A 332 -6.331 24.298 22.694 1.00 48.91 N ATOM 201 CA ASP A 332 -4.963 24.663 23.081 1.00 52.05 C ATOM 202 C ASP A 332 -4.318 25.764 22.231 1.00 52.90 C ATOM 203 O ASP A 332 -3.774 25.490 21.156 1.00 52.36 O ATOM 204 CB ASP A 332 -4.072 23.427 23.065 1.00 51.99 C ATOM 205 H ASP A 332 -6.617 23.304 22.801 1.00 0.00 H TER 206 ASP A 332 ATOM 207 N PRO A 336 1.662 28.243 17.388 1.00 52.70 N ATOM 208 CA PRO A 336 3.037 28.199 16.887 1.00 46.85 C ATOM 209 C PRO A 336 3.394 26.795 16.395 1.00 45.88 C ATOM 210 O PRO A 336 4.311 26.155 16.916 1.00 45.74 O ATOM 211 CB PRO A 336 3.873 28.596 18.117 1.00 48.80 C ATOM 212 CG PRO A 336 2.879 28.709 19.284 1.00 48.68 C ATOM 213 CD PRO A 336 1.615 28.049 18.843 1.00 46.46 C ATOM 214 HN2 PRO A 336 1.110 27.491 16.928 1.00 0.00 H ATOM 215 HN1 PRO A 336 1.247 29.168 17.156 1.00 0.00 H ATOM 216 N PHE A 337 2.668 26.335 15.382 1.00 48.00 N ATOM 217 CA PHE A 337 2.645 24.924 15.005 1.00 45.95 C ATOM 218 C PHE A 337 3.944 24.344 14.490 1.00 47.13 C ATOM 219 O PHE A 337 4.636 24.939 13.665 1.00 48.16 O ATOM 220 CB PHE A 337 1.585 24.682 13.935 1.00 43.30 C ATOM 221 CG PHE A 337 0.219 25.119 14.331 1.00 41.21 C ATOM 222 CD1 PHE A 337 -0.591 24.297 15.095 1.00 38.61 C ATOM 223 CD2 PHE A 337 -0.263 26.354 13.932 1.00 42.27 C ATOM 224 CE1 PHE A 337 -1.860 24.703 15.455 1.00 38.42 C ATOM 225 CE2 PHE A 337 -1.529 26.767 14.289 1.00 42.19 C ATOM 226 CZ PHE A 337 -2.331 25.940 15.052 1.00 38.91 C ATOM 227 H PHE A 337 2.093 27.007 14.835 1.00 0.00 H ATOM 228 N SER A 338 4.240 23.149 14.978 1.00 46.26 N ATOM 229 CA SER A 338 5.223 22.296 14.350 1.00 46.56 C ATOM 230 C SER A 338 4.546 21.621 13.178 1.00 45.82 C ATOM 231 O SER A 338 3.344 21.771 12.969 1.00 44.85 O ATOM 232 CB SER A 338 5.757 21.255 15.333 1.00 46.13 C ATOM 233 OG SER A 338 4.704 20.446 15.823 1.00 44.12 O ATOM 234 HG SER A 338 4.040 21.015 16.287 1.00 0.00 H ATOM 235 H SER A 338 3.753 22.816 15.834 1.00 0.00 H ATOM 236 N GLU A 339 5.275 20.801 12.469 1.00 47.98 N ATOM 237 CA GLU A 339 4.704 20.090 11.377 1.00 46.93 C ATOM 238 C GLU A 339 3.949 18.949 11.978 1.00 44.33 C ATOM 239 O GLU A 339 2.920 18.559 11.496 1.00 43.07 O ATOM 240 CB GLU A 339 5.790 19.609 10.435 1.00 49.17 C ATOM 241 CG GLU A 339 5.373 18.520 9.497 1.00 50.17 C ATOM 242 CD GLU A 339 6.484 18.120 8.585 1.00 53.85 C ATOM 243 OE1 GLU A 339 7.069 17.054 8.770 1.00 54.92 O ATOM 244 OE2 GLU A 339 6.785 18.894 7.685 1.00 56.04 O ATOM 245 H GLU A 339 6.279 20.667 12.704 1.00 0.00 H ATOM 246 N ALA A 340 4.469 18.427 13.059 1.00 44.93 N ATOM 247 CA ALA A 340 3.851 17.296 13.725 1.00 44.24 C ATOM 248 C ALA A 340 2.532 17.683 14.386 1.00 41.94 C ATOM 249 O ALA A 340 1.539 16.972 14.254 1.00 40.36 O ATOM 250 CB ALA A 340 4.803 16.694 14.747 1.00 45.76 C ATOM 251 H ALA A 340 5.344 18.831 13.449 1.00 0.00 H ATOM 252 N SER A 341 2.517 18.809 15.093 1.00 42.64 N ATOM 253 CA SER A 341 1.315 19.203 15.817 1.00 41.93 C ATOM 254 C SER A 341 0.162 19.486 14.850 1.00 40.12 C ATOM 255 O SER A 341 -0.944 18.983 15.040 1.00 34.78 O ATOM 256 CB SER A 341 1.583 20.411 16.722 1.00 38.26 C ATOM 257 OG SER A 341 2.043 21.535 15.990 1.00 42.46 O ATOM 258 HG SER A 341 2.887 21.303 15.527 1.00 0.00 H ATOM 259 H SER A 341 3.365 19.410 15.129 1.00 0.00 H ATOM 260 N MET A 342 0.421 20.262 13.802 1.00 40.89 N ATOM 261 CA MET A 342 -0.631 20.591 12.844 1.00 39.63 C ATOM 262 C MET A 342 -1.159 19.356 12.112 1.00 37.73 C ATOM 263 O MET A 342 -2.367 19.184 11.986 1.00 36.53 O ATOM 264 CB MET A 342 -0.149 21.625 11.828 1.00 40.77 C ATOM 265 CG MET A 342 -1.211 21.982 10.793 1.00 39.44 C ATOM 266 SD MET A 342 -0.727 23.298 9.665 1.00 51.10 S ATOM 267 CE MET A 342 -0.639 24.674 10.806 1.00 38.34 C ATOM 268 H MET A 342 1.381 20.638 13.663 1.00 0.00 H ATOM 269 N MET A 343 -0.277 18.530 11.609 1.00 38.30 N ATOM 270 CA MET A 343 -0.696 17.326 10.968 1.00 37.10 C ATOM 271 C MET A 343 -1.451 16.384 11.920 1.00 36.70 C ATOM 272 O MET A 343 -2.376 15.736 11.524 1.00 35.23 O ATOM 273 CB MET A 343 0.506 16.659 10.341 1.00 37.81 C ATOM 274 CG MET A 343 0.243 15.913 9.055 1.00 39.95 C ATOM 275 SD MET A 343 0.015 16.824 7.556 1.00 41.03 S ATOM 276 CE MET A 343 -0.249 18.402 8.209 1.00 34.28 C ATOM 277 H MET A 343 0.737 18.753 11.677 1.00 0.00 H ATOM 278 N GLY A 344 -1.030 16.294 13.165 1.00 36.73 N ATOM 279 CA GLY A 344 -1.742 15.528 14.173 1.00 36.74 C ATOM 280 C GLY A 344 -3.165 16.037 14.323 1.00 35.89 C ATOM 281 O GLY A 344 -4.115 15.259 14.332 1.00 32.43 O ATOM 282 H GLY A 344 -0.156 16.789 13.436 1.00 0.00 H ATOM 283 N LEU A 345 -3.310 17.355 14.422 1.00 34.85 N ATOM 284 CA LEU A 345 -4.625 17.974 14.544 1.00 34.51 C ATOM 285 C LEU A 345 -5.461 17.795 13.276 1.00 33.86 C ATOM 286 O LEU A 345 -6.648 17.469 13.352 1.00 33.37 O ATOM 287 CB LEU A 345 -4.485 19.465 14.863 1.00 35.01 C ATOM 288 CG LEU A 345 -3.849 19.867 16.195 1.00 36.34 C ATOM 289 CD1 LEU A 345 -3.618 21.368 16.221 1.00 37.14 C ATOM 290 CD2 LEU A 345 -4.705 19.434 17.384 1.00 34.27 C ATOM 291 H LEU A 345 -2.464 17.960 14.412 1.00 0.00 H ATOM 292 N LEU A 346 -4.848 18.015 12.118 1.00 35.47 N ATOM 293 CA LEU A 346 -5.574 17.928 10.846 1.00 34.52 C ATOM 294 C LEU A 346 -6.017 16.496 10.539 1.00 35.36 C ATOM 295 O LEU A 346 -7.096 16.282 9.989 1.00 35.71 O ATOM 296 CB LEU A 346 -4.725 18.465 9.689 1.00 32.94 C ATOM 297 CG LEU A 346 -4.354 19.953 9.658 1.00 33.77 C ATOM 298 CD1 LEU A 346 -3.359 20.246 8.535 1.00 33.49 C ATOM 299 CD2 LEU A 346 -5.586 20.824 9.514 1.00 34.23 C ATOM 300 H LEU A 346 -3.836 18.253 12.113 1.00 0.00 H ATOM 301 N THR A 347 -5.191 15.515 10.895 1.00 35.07 N ATOM 302 CA THR A 347 -5.509 14.126 10.571 1.00 33.84 C ATOM 303 C THR A 347 -6.443 13.509 11.610 1.00 34.26 C ATOM 304 O THR A 347 -7.254 12.638 11.282 1.00 35.01 O ATOM 305 CB THR A 347 -4.241 13.265 10.448 1.00 33.44 C ATOM 306 OG1 THR A 347 -3.430 13.433 11.613 1.00 32.19 O ATOM 307 CG2 THR A 347 -3.439 13.673 9.215 1.00 34.18 C ATOM 308 HG1 THR A 347 -3.174 14.385 11.701 1.00 0.00 H ATOM 309 H THR A 347 -4.314 15.738 11.407 1.00 0.00 H ATOM 310 N ASN A 348 -6.330 13.961 12.856 1.00 32.42 N ATOM 311 CA ASN A 348 -7.263 13.555 13.904 1.00 32.93 C ATOM 312 C ASN A 348 -8.675 14.005 13.548 1.00 32.96 C ATOM 313 O ASN A 348 -9.645 13.267 13.724 1.00 33.24 O ATOM 314 CB ASN A 348 -6.845 14.140 15.254 1.00 33.63 C ATOM 315 CG ASN A 348 -7.778 13.740 16.386 1.00 36.02 C ATOM 316 OD1 ASN A 348 -8.924 14.186 16.454 1.00 35.90 O ATOM 317 ND2 ASN A 348 -7.277 12.913 17.295 1.00 38.03 N ATOM 318 HD22 ASN A 348 -6.303 12.561 17.197 1.00 0.00 H ATOM 319 HD21 ASN A 348 -7.858 12.617 18.105 1.00 0.00 H ATOM 320 H ASN A 348 -5.559 14.619 13.089 1.00 0.00 H ATOM 321 N LEU A 349 -8.772 15.230 13.041 1.00 33.75 N ATOM 322 CA LEU A 349 -10.043 15.803 12.628 1.00 32.22 C ATOM 323 C LEU A 349 -10.616 15.038 11.439 1.00 31.95 C ATOM 324 O LEU A 349 -11.801 14.706 11.418 1.00 32.16 O ATOM 325 CB LEU A 349 -9.865 17.280 12.282 1.00 31.34 C ATOM 326 CG LEU A 349 -11.093 18.035 11.780 1.00 32.23 C ATOM 327 CD1 LEU A 349 -12.109 18.224 12.896 1.00 32.34 C ATOM 328 CD2 LEU A 349 -10.682 19.371 11.174 1.00 32.78 C ATOM 329 H LEU A 349 -7.908 15.799 12.936 1.00 0.00 H ATOM 330 N ALA A 350 -9.766 14.750 10.457 1.00 33.33 N ATOM 331 CA ALA A 350 -10.186 14.021 9.263 1.00 32.82 C ATOM 332 C ALA A 350 -10.677 12.616 9.611 1.00 34.56 C ATOM 333 O ALA A 350 -11.654 12.132 9.036 1.00 34.26 O ATOM 334 CB ALA A 350 -9.044 13.947 8.258 1.00 32.48 C ATOM 335 H ALA A 350 -8.775 15.052 10.542 1.00 0.00 H ATOM 336 N ASP A 351 -10.001 11.964 10.551 1.00 34.24 N ATOM 337 CA ASP A 351 -10.416 10.639 10.988 1.00 35.88 C ATOM 338 C ASP A 351 -11.794 10.673 11.635 1.00 35.02 C ATOM 339 O ASP A 351 -12.605 9.776 11.421 1.00 34.40 O ATOM 340 CB ASP A 351 -9.414 10.033 11.972 1.00 38.50 C ATOM 341 CG ASP A 351 -9.977 8.817 12.687 1.00 40.75 C ATOM 342 OD1 ASP A 351 -9.986 7.719 12.093 1.00 42.00 O ATOM 343 OD2 ASP A 351 -10.432 8.966 13.840 1.00 41.61 O ATOM 344 H ASP A 351 -9.164 12.407 10.981 1.00 0.00 H ATOM 345 N ARG A 352 -12.042 11.694 12.425 1.00 34.32 N ATOM 346 CA ARG A 352 -13.305 11.861 13.088 1.00 35.00 C ATOM 347 C ARG A 352 -14.375 12.258 12.124 1.00 34.70 C ATOM 348 O ARG A 352 -15.470 11.834 12.254 1.00 28.84 O ATOM 349 CB ARG A 352 -13.219 12.856 14.232 1.00 29.75 C ATOM 350 CG ARG A 352 -12.769 12.255 15.550 1.00 30.94 C ATOM 351 CD ARG A 352 -12.639 13.280 16.635 1.00 31.74 C ATOM 352 NE ARG A 352 -11.683 14.316 16.348 1.00 31.28 N ATOM 353 CZ ARG A 352 -11.967 15.592 16.343 1.00 31.27 C ATOM 354 NH1 ARG A 352 -13.175 15.986 16.577 1.00 31.66 N ATOM 355 NH2 ARG A 352 -11.052 16.461 16.081 1.00 31.09 N ATOM 356 HE ARG A 352 -10.706 14.032 16.131 1.00 0.00 H ATOM 357 HH12 ARG A 352 -13.401 17.001 16.573 1.00 0.00 H ATOM 358 HH11 ARG A 352 -13.922 15.288 16.769 1.00 0.00 H ATOM 359 HH22 ARG A 352 -11.283 17.475 16.078 1.00 0.00 H ATOM 360 HH21 ARG A 352 -10.082 16.148 15.872 1.00 0.00 H ATOM 361 H ARG A 352 -11.298 12.405 12.575 1.00 0.00 H ATOM 362 N GLU A 353 -14.045 13.053 11.125 1.00 30.00 N ATOM 363 CA GLU A 353 -15.011 13.407 10.085 1.00 30.00 C ATOM 364 C GLU A 353 -15.401 12.229 9.190 1.00 30.00 C ATOM 365 O GLU A 353 -16.487 12.123 8.777 1.00 30.00 O ATOM 366 CB GLU A 353 -14.534 14.562 9.224 1.00 20.00 C ATOM 367 CG GLU A 353 -14.520 15.892 9.881 1.00 20.00 C ATOM 368 CD GLU A 353 -14.150 17.008 8.963 1.00 20.00 C ATOM 369 OE1 GLU A 353 -12.946 17.162 8.654 1.00 20.00 O ATOM 370 OE2 GLU A 353 -15.043 17.788 8.567 1.00 20.00 O ATOM 371 H GLU A 353 -13.079 13.436 11.076 1.00 0.00 H ATOM 372 N LEU A 354 -14.490 11.333 8.947 1.00 34.84 N ATOM 373 CA LEU A 354 -14.772 10.180 8.141 1.00 34.97 C ATOM 374 C LEU A 354 -15.858 9.275 8.671 1.00 36.00 C ATOM 375 O LEU A 354 -16.631 8.796 7.928 1.00 36.16 O ATOM 376 CB LEU A 354 -13.509 9.395 7.918 1.00 34.96 C ATOM 377 CG LEU A 354 -12.665 9.821 6.757 1.00 34.15 C ATOM 378 CD1 LEU A 354 -11.309 9.182 6.882 1.00 33.97 C ATOM 379 CD2 LEU A 354 -13.351 9.423 5.483 1.00 33.93 C ATOM 380 H LEU A 354 -13.537 11.455 9.345 1.00 0.00 H ATOM 381 N VAL A 355 -15.898 9.044 9.965 1.00 37.06 N ATOM 382 CA VAL A 355 -16.926 8.191 10.554 1.00 38.65 C ATOM 383 C VAL A 355 -18.311 8.754 10.248 1.00 37.85 C ATOM 384 O VAL A 355 -19.230 8.026 9.879 1.00 38.34 O ATOM 385 CB VAL A 355 -16.749 8.052 12.079 1.00 39.50 C ATOM 386 CG1 VAL A 355 -17.801 7.119 12.646 1.00 40.29 C ATOM 387 CG2 VAL A 355 -15.348 7.546 12.409 1.00 39.63 C ATOM 388 H VAL A 355 -15.182 9.478 10.582 1.00 0.00 H ATOM 389 N HIS A 356 -18.443 10.065 10.393 1.00 37.09 N ATOM 390 CA HIS A 356 -19.686 10.743 10.083 1.00 36.33 C ATOM 391 C HIS A 356 -19.981 10.668 8.595 1.00 36.64 C ATOM 392 O HIS A 356 -21.129 10.496 8.191 1.00 38.20 O ATOM 393 CB HIS A 356 -19.629 12.199 10.540 1.00 35.09 C ATOM 394 CG HIS A 356 -19.784 12.376 12.019 1.00 36.08 C ATOM 395 ND1 HIS A 356 -21.014 12.393 12.639 1.00 36.87 N ATOM 396 CD2 HIS A 356 -18.865 12.550 12.999 1.00 35.99 C ATOM 397 CE1 HIS A 356 -20.847 12.569 13.938 1.00 38.40 C ATOM 398 NE2 HIS A 356 -19.553 12.667 14.183 1.00 37.62 N ATOM 399 H HIS A 356 -17.635 10.621 10.738 1.00 0.00 H ATOM 400 N MET A 357 -18.938 10.793 7.780 1.00 37.29 N ATOM 401 CA MET A 357 -19.104 10.777 6.330 1.00 36.88 C ATOM 402 C MET A 357 -19.678 9.453 5.843 1.00 38.65 C ATOM 403 O MET A 357 -20.512 9.427 4.932 1.00 38.48 O ATOM 404 CB MET A 357 -17.779 11.048 5.621 1.00 34.86 C ATOM 405 CG MET A 357 -17.966 11.490 4.177 1.00 33.73 C ATOM 406 SD MET A 357 -16.527 11.205 3.139 1.00 35.10 S ATOM 407 CE MET A 357 -15.324 12.308 3.863 1.00 31.81 C ATOM 408 H MET A 357 -17.986 10.904 8.183 1.00 0.00 H ATOM 409 N ILE A 358 -19.227 8.355 6.445 1.00 38.67 N ATOM 410 CA ILE A 358 -19.754 7.041 6.106 1.00 40.49 C ATOM 411 C ILE A 358 -21.252 7.004 6.388 1.00 42.86 C ATOM 412 O ILE A 358 -22.035 6.521 5.566 1.00 44.02 O ATOM 413 CB ILE A 358 -19.042 5.933 6.887 1.00 40.71 C ATOM 414 CG1 ILE A 358 -17.606 5.793 6.388 1.00 39.00 C ATOM 415 CG2 ILE A 358 -19.782 4.617 6.748 1.00 42.17 C ATOM 416 CD1 ILE A 358 -16.681 5.188 7.404 1.00 39.29 C ATOM 417 H ILE A 358 -18.486 8.437 7.170 1.00 0.00 H ATOM 418 N ASN A 359 -21.648 7.548 7.528 1.00 42.19 N ATOM 419 CA ASN A 359 -23.039 7.653 7.891 1.00 42.72 C ATOM 420 C ASN A 359 -23.841 8.456 6.899 1.00 40.05 C ATOM 421 O ASN A 359 -24.887 8.032 6.482 1.00 40.95 O ATOM 422 CB ASN A 359 -23.186 8.268 9.278 1.00 45.84 C ATOM 423 CG ASN A 359 -23.032 7.256 10.387 1.00 50.55 C ATOM 424 OD1 ASN A 359 -22.690 6.112 10.155 1.00 52.14 O ATOM 425 ND2 ASN A 359 -23.283 7.686 11.618 1.00 52.77 N ATOM 426 HD22 ASN A 359 -23.573 8.672 11.775 1.00 0.00 H ATOM 427 HD21 ASN A 359 -23.189 7.037 12.425 1.00 0.00 H ATOM 428 H ASN A 359 -20.930 7.913 8.185 1.00 0.00 H ATOM 429 N TRP A 360 -23.339 9.626 6.545 1.00 39.55 N ATOM 430 CA TRP A 360 -23.978 10.532 5.600 1.00 37.60 C ATOM 431 C TRP A 360 -24.186 9.912 4.216 1.00 38.21 C ATOM 432 O TRP A 360 -25.211 10.141 3.577 1.00 37.75 O ATOM 433 CB TRP A 360 -23.147 11.808 5.483 1.00 35.69 C ATOM 434 CG TRP A 360 -23.385 12.596 4.241 1.00 34.18 C ATOM 435 CD1 TRP A 360 -24.346 13.543 4.042 1.00 34.49 C ATOM 436 CD2 TRP A 360 -22.633 12.528 3.024 1.00 33.17 C ATOM 437 NE1 TRP A 360 -24.247 14.062 2.776 1.00 33.33 N ATOM 438 CE2 TRP A 360 -23.205 13.453 2.127 1.00 33.07 C ATOM 439 CE3 TRP A 360 -21.538 11.768 2.603 1.00 28.29 C ATOM 440 CZ2 TRP A 360 -22.714 13.644 0.837 1.00 32.36 C ATOM 441 CZ3 TRP A 360 -21.053 11.958 1.322 1.00 27.91 C ATOM 442 CH2 TRP A 360 -21.640 12.887 0.454 1.00 32.14 C ATOM 443 HE1 TRP A 360 -24.862 14.798 2.374 1.00 0.00 H ATOM 444 H TRP A 360 -22.434 9.917 6.966 1.00 0.00 H ATOM 445 N ALA A 361 -23.216 9.127 3.760 1.00 38.46 N ATOM 446 CA ALA A 361 -23.281 8.535 2.425 1.00 38.16 C ATOM 447 C ALA A 361 -24.459 7.570 2.298 1.00 40.12 C ATOM 448 O ALA A 361 -25.111 7.509 1.255 1.00 39.97 O ATOM 449 CB ALA A 361 -21.978 7.827 2.092 1.00 36.34 C ATOM 450 H ALA A 361 -22.394 8.930 4.365 1.00 0.00 H ATOM 451 N LYS A 362 -24.735 6.833 3.370 1.00 40.41 N ATOM 452 CA LYS A 362 -25.860 5.899 3.400 1.00 43.16 C ATOM 453 C LYS A 362 -27.201 6.611 3.230 1.00 45.34 C ATOM 454 O LYS A 362 -28.216 5.986 2.915 1.00 47.46 O ATOM 455 CB LYS A 362 -25.869 5.106 4.705 1.00 44.56 C ATOM 456 CG LYS A 362 -24.722 4.129 4.855 1.00 45.57 C ATOM 457 CD LYS A 362 -25.039 3.086 5.913 1.00 48.29 C ATOM 458 H LYS A 362 -24.132 6.924 4.213 1.00 0.00 H ATOM 459 N ARG A 363 -27.195 7.922 3.446 1.00 43.36 N ATOM 460 CA ARG A 363 -28.407 8.717 3.375 1.00 43.18 C ATOM 461 C ARG A 363 -28.491 9.522 2.082 1.00 42.28 C ATOM 462 O ARG A 363 -29.501 10.177 1.825 1.00 44.08 O ATOM 463 CB ARG A 363 -28.492 9.641 4.585 1.00 44.60 C ATOM 464 CG ARG A 363 -28.594 8.894 5.905 1.00 46.59 C ATOM 465 CD ARG A 363 -28.570 9.840 7.087 1.00 48.15 C ATOM 466 NE ARG A 363 -29.602 10.865 6.982 1.00 50.09 N ATOM 467 CZ ARG A 363 -30.414 11.219 7.975 1.00 52.68 C ATOM 468 NH1 ARG A 363 -31.321 12.169 7.784 1.00 52.73 N ATOM 469 NH2 ARG A 363 -30.321 10.621 9.156 1.00 54.69 N ATOM 470 HE ARG A 363 -29.711 11.352 6.070 1.00 0.00 H ATOM 471 HH12 ARG A 363 -31.956 12.446 8.560 1.00 0.00 H ATOM 472 HH11 ARG A 363 -31.397 12.637 6.858 1.00 0.00 H ATOM 473 HH22 ARG A 363 -30.956 10.899 9.931 1.00 0.00 H ATOM 474 HH21 ARG A 363 -29.613 9.874 9.307 1.00 0.00 H ATOM 475 H ARG A 363 -26.295 8.392 3.673 1.00 0.00 H ATOM 476 N VAL A 364 -27.434 9.478 1.272 1.00 41.69 N ATOM 477 CA VAL A 364 -27.495 10.040 -0.073 1.00 40.83 C ATOM 478 C VAL A 364 -28.342 9.110 -0.934 1.00 43.07 C ATOM 479 O VAL A 364 -27.961 7.962 -1.166 1.00 43.34 O ATOM 480 CB VAL A 364 -26.101 10.214 -0.703 1.00 39.90 C ATOM 481 CG1 VAL A 364 -26.223 10.760 -2.113 1.00 39.79 C ATOM 482 CG2 VAL A 364 -25.234 11.131 0.149 1.00 39.44 C ATOM 483 H VAL A 364 -26.553 9.037 1.603 1.00 0.00 H ATOM 484 N PRO A 365 -29.504 9.599 -1.397 1.00 40.70 N ATOM 485 CA PRO A 365 -30.500 8.777 -2.091 1.00 43.10 C ATOM 486 C PRO A 365 -29.914 7.946 -3.226 1.00 43.51 C ATOM 487 O PRO A 365 -29.225 8.475 -4.100 1.00 42.26 O ATOM 488 CB PRO A 365 -31.489 9.813 -2.628 1.00 44.75 C ATOM 489 CG PRO A 365 -31.395 10.937 -1.661 1.00 44.32 C ATOM 490 CD PRO A 365 -29.942 11.000 -1.279 1.00 41.20 C ATOM 491 N GLY A 366 -30.182 6.645 -3.187 1.00 47.27 N ATOM 492 CA GLY A 366 -29.720 5.734 -4.214 1.00 48.06 C ATOM 493 C GLY A 366 -28.394 5.069 -3.900 1.00 46.56 C ATOM 494 O GLY A 366 -28.035 4.077 -4.536 1.00 48.04 O ATOM 495 H GLY A 366 -30.741 6.269 -2.394 1.00 0.00 H ATOM 496 N PHE A 367 -27.667 5.599 -2.921 1.00 45.52 N ATOM 497 CA PHE A 367 -26.341 5.074 -2.600 1.00 43.00 C ATOM 498 C PHE A 367 -26.403 3.663 -2.016 1.00 45.30 C ATOM 499 O PHE A 367 -25.679 2.780 -2.468 1.00 46.10 O ATOM 500 CB PHE A 367 -25.606 6.007 -1.633 1.00 40.55 C ATOM 501 CG PHE A 367 -24.182 5.592 -1.347 1.00 38.99 C ATOM 502 CD1 PHE A 367 -23.145 6.009 -2.166 1.00 36.67 C ATOM 503 CD2 PHE A 367 -23.885 4.792 -0.254 1.00 39.36 C ATOM 504 CE1 PHE A 367 -21.840 5.631 -1.906 1.00 35.12 C ATOM 505 CE2 PHE A 367 -22.584 4.412 0.012 1.00 38.26 C ATOM 506 CZ PHE A 367 -21.558 4.833 -0.817 1.00 36.42 C ATOM 507 H PHE A 367 -28.047 6.399 -2.376 1.00 0.00 H ATOM 508 N VAL A 368 -27.260 3.438 -1.023 1.00 45.12 N ATOM 509 CA VAL A 368 -27.288 2.138 -0.351 1.00 46.13 C ATOM 510 C VAL A 368 -27.866 1.025 -1.221 1.00 47.81 C ATOM 511 O VAL A 368 -27.767 -0.153 -0.872 1.00 49.28 O ATOM 512 CB VAL A 368 -28.088 2.183 0.967 1.00 48.24 C ATOM 513 CG1 VAL A 368 -27.317 2.955 2.026 1.00 47.46 C ATOM 514 CG2 VAL A 368 -29.474 2.772 0.744 1.00 49.36 C ATOM 515 H VAL A 368 -27.913 4.190 -0.723 1.00 0.00 H ATOM 516 N ASP A 369 -28.465 1.390 -2.350 1.00 46.36 N ATOM 517 CA ASP A 369 -28.974 0.396 -3.288 1.00 47.80 C ATOM 518 C ASP A 369 -27.840 -0.208 -4.116 1.00 45.12 C ATOM 519 O ASP A 369 -28.045 -1.157 -4.867 1.00 46.96 O ATOM 520 CB ASP A 369 -30.031 1.011 -4.203 1.00 50.66 C ATOM 521 CG ASP A 369 -31.277 1.431 -3.448 1.00 54.50 C ATOM 522 OD1 ASP A 369 -31.243 2.492 -2.790 1.00 53.70 O ATOM 523 OD2 ASP A 369 -32.289 0.700 -3.514 1.00 58.89 O ATOM 524 H ASP A 369 -28.572 2.401 -2.568 1.00 0.00 H ATOM 525 N LEU A 370 -26.645 0.352 -3.978 1.00 47.67 N ATOM 526 CA LEU A 370 -25.453 -0.217 -4.590 1.00 44.51 C ATOM 527 C LEU A 370 -24.937 -1.364 -3.727 1.00 43.88 C ATOM 528 O LEU A 370 -25.258 -1.440 -2.541 1.00 44.21 O ATOM 529 CB LEU A 370 -24.372 0.849 -4.762 1.00 41.44 C ATOM 530 CG LEU A 370 -24.758 2.060 -5.615 1.00 41.60 C ATOM 531 CD1 LEU A 370 -23.743 3.189 -5.463 1.00 38.98 C ATOM 532 CD2 LEU A 370 -24.901 1.656 -7.072 1.00 43.25 C ATOM 533 H LEU A 370 -26.557 1.223 -3.416 1.00 0.00 H ATOM 534 N THR A 371 -24.131 -2.245 -4.312 1.00 42.03 N ATOM 535 CA THR A 371 -23.519 -3.332 -3.553 1.00 42.56 C ATOM 536 C THR A 371 -22.485 -2.759 -2.589 1.00 40.72 C ATOM 537 O THR A 371 -21.976 -1.659 -2.805 1.00 38.82 O ATOM 538 CB THR A 371 -22.839 -4.357 -4.479 1.00 42.44 C ATOM 539 OG1 THR A 371 -21.632 -3.797 -5.012 1.00 41.46 O ATOM 540 CG2 THR A 371 -23.765 -4.737 -5.624 1.00 42.80 C ATOM 541 HG1 THR A 371 -21.848 -2.980 -5.527 1.00 0.00 H ATOM 542 H THR A 371 -23.933 -2.158 -5.329 1.00 0.00 H ATOM 543 N LEU A 372 -22.174 -3.494 -1.524 1.00 42.11 N ATOM 544 CA LEU A 372 -21.227 -2.992 -0.536 1.00 41.87 C ATOM 545 C LEU A 372 -19.872 -2.696 -1.178 1.00 41.18 C ATOM 546 O LEU A 372 -19.263 -1.662 -0.901 1.00 39.17 O ATOM 547 CB LEU A 372 -21.064 -3.982 0.619 1.00 44.34 C ATOM 548 CG LEU A 372 -22.201 -4.018 1.646 1.00 46.68 C ATOM 549 CD1 LEU A 372 -21.722 -4.646 2.948 1.00 47.64 C ATOM 550 CD2 LEU A 372 -22.768 -2.618 1.892 1.00 45.57 C ATOM 551 H LEU A 372 -22.608 -4.430 -1.396 1.00 0.00 H ATOM 552 N HIS A 373 -19.418 -3.602 -2.044 1.00 39.70 N ATOM 553 CA HIS A 373 -18.149 -3.443 -2.750 1.00 39.40 C ATOM 554 C HIS A 373 -18.085 -2.110 -3.493 1.00 39.36 C ATOM 555 O HIS A 373 -17.097 -1.384 -3.398 1.00 38.10 O ATOM 556 CB HIS A 373 -17.934 -4.603 -3.729 1.00 40.13 C ATOM 557 H HIS A 373 -19.988 -4.453 -2.224 1.00 0.00 H ATOM 558 N ASP A 374 -19.147 -1.792 -4.225 1.00 41.58 N ATOM 559 CA ASP A 374 -19.224 -0.536 -4.964 1.00 40.11 C ATOM 560 C ASP A 374 -19.229 0.664 -4.023 1.00 38.02 C ATOM 561 O ASP A 374 -18.491 1.629 -4.233 1.00 36.98 O ATOM 562 CB ASP A 374 -20.470 -0.510 -5.851 1.00 42.41 C ATOM 563 CG ASP A 374 -20.410 -1.530 -6.972 1.00 45.79 C ATOM 564 OD1 ASP A 374 -19.297 -1.988 -7.300 1.00 46.15 O ATOM 565 OD2 ASP A 374 -21.477 -1.868 -7.528 1.00 48.97 O ATOM 566 H ASP A 374 -19.946 -2.457 -4.273 1.00 0.00 H ATOM 567 N GLN A 375 -20.072 0.600 -2.993 1.00 38.82 N ATOM 568 CA GLN A 375 -20.146 1.649 -1.979 1.00 37.43 C ATOM 569 C GLN A 375 -18.769 1.943 -1.395 1.00 36.07 C ATOM 570 O GLN A 375 -18.377 3.103 -1.257 1.00 35.52 O ATOM 571 CB GLN A 375 -21.116 1.251 -0.859 1.00 38.44 C ATOM 572 CG GLN A 375 -22.579 1.203 -1.271 1.00 39.80 C ATOM 573 CD GLN A 375 -23.483 0.662 -0.173 1.00 42.26 C ATOM 574 OE1 GLN A 375 -23.260 0.912 1.013 1.00 42.46 O ATOM 575 NE2 GLN A 375 -24.506 -0.091 -0.565 1.00 43.70 N ATOM 576 HE22 GLN A 375 -24.657 -0.277 -1.577 1.00 0.00 H ATOM 577 HE21 GLN A 375 -25.155 -0.494 0.140 1.00 0.00 H ATOM 578 H GLN A 375 -20.699 -0.225 -2.908 1.00 0.00 H ATOM 579 N VAL A 376 -18.043 0.881 -1.055 1.00 38.39 N ATOM 580 CA VAL A 376 -16.681 0.987 -0.542 1.00 37.41 C ATOM 581 C VAL A 376 -15.767 1.688 -1.535 1.00 35.96 C ATOM 582 O VAL A 376 -14.967 2.552 -1.164 1.00 34.80 O ATOM 583 CB VAL A 376 -16.090 -0.405 -0.220 1.00 38.55 C ATOM 584 CG1 VAL A 376 -14.564 -0.349 -0.153 1.00 37.46 C ATOM 585 CG2 VAL A 376 -16.682 -0.961 1.070 1.00 39.85 C ATOM 586 H VAL A 376 -18.464 -0.064 -1.159 1.00 0.00 H ATOM 587 N HIS A 377 -15.895 1.309 -2.789 1.00 34.61 N ATOM 588 CA HIS A 377 -15.062 1.832 -3.839 1.00 34.68 C ATOM 589 C HIS A 377 -15.255 3.316 -4.035 1.00 33.59 C ATOM 590 O HIS A 377 -14.328 4.038 -4.151 1.00 33.36 O ATOM 591 CB HIS A 377 -15.309 1.101 -5.151 1.00 36.48 C ATOM 592 CG HIS A 377 -14.497 1.627 -6.288 1.00 36.48 C ATOM 593 ND1 HIS A 377 -13.215 1.222 -6.528 1.00 36.21 N ATOM 594 CD2 HIS A 377 -14.776 2.552 -7.225 1.00 36.60 C ATOM 595 CE1 HIS A 377 -12.748 1.853 -7.581 1.00 36.86 C ATOM 596 NE2 HIS A 377 -13.671 2.677 -8.013 1.00 36.76 N ATOM 597 H HIS A 377 -16.624 0.607 -3.029 1.00 0.00 H ATOM 598 N LEU A 378 -16.493 3.735 -4.058 1.00 34.23 N ATOM 599 CA LEU A 378 -16.812 5.106 -4.268 1.00 33.32 C ATOM 600 C LEU A 378 -16.325 5.954 -3.120 1.00 32.69 C ATOM 601 O LEU A 378 -15.944 7.067 -3.319 1.00 31.88 O ATOM 602 CB LEU A 378 -18.317 5.292 -4.488 1.00 33.05 C ATOM 603 CG LEU A 378 -18.900 4.949 -5.853 1.00 33.36 C ATOM 604 CD1 LEU A 378 -20.385 5.054 -5.909 1.00 33.67 C ATOM 605 CD2 LEU A 378 -18.290 5.679 -7.009 1.00 32.52 C ATOM 606 H LEU A 378 -17.263 3.050 -3.920 1.00 0.00 H ATOM 607 N LEU A 379 -16.373 5.415 -1.920 1.00 32.85 N ATOM 608 CA LEU A 379 -16.002 6.183 -0.769 1.00 32.87 C ATOM 609 C LEU A 379 -14.513 6.305 -0.678 1.00 31.60 C ATOM 610 O LEU A 379 -14.024 7.348 -0.423 1.00 30.38 O ATOM 611 CB LEU A 379 -16.603 5.649 0.512 1.00 34.43 C ATOM 612 CG LEU A 379 -17.754 6.474 1.059 1.00 35.56 C ATOM 613 CD1 LEU A 379 -18.714 5.622 1.862 1.00 36.54 C ATOM 614 CD2 LEU A 379 -17.292 7.679 1.831 1.00 34.50 C ATOM 615 H LEU A 379 -16.681 4.428 -1.807 1.00 0.00 H ATOM 616 N GLU A 380 -13.814 5.219 -0.928 1.00 32.37 N ATOM 617 CA GLU A 380 -12.376 5.254 -1.017 1.00 33.63 C ATOM 618 C GLU A 380 -11.924 6.222 -2.048 1.00 34.08 C ATOM 619 O GLU A 380 -10.999 6.919 -1.849 1.00 35.62 O ATOM 620 CB GLU A 380 -11.822 3.914 -1.378 1.00 34.46 C ATOM 621 CG GLU A 380 -11.930 2.893 -0.282 1.00 37.07 C ATOM 622 CD GLU A 380 -11.589 1.525 -0.756 1.00 39.79 C ATOM 623 OE1 GLU A 380 -11.260 0.704 0.067 1.00 41.03 O ATOM 624 OE2 GLU A 380 -11.619 1.279 -1.950 1.00 41.16 O ATOM 625 H GLU A 380 -14.310 4.315 -1.064 1.00 0.00 H ATOM 626 N CYS A 381 -12.599 6.285 -3.157 1.00 32.30 N ATOM 627 CA CYS A 381 -12.244 7.202 -4.176 1.00 31.76 C ATOM 628 C CYS A 381 -12.472 8.656 -3.838 1.00 30.48 C ATOM 629 O CYS A 381 -11.677 9.460 -4.148 1.00 29.99 O ATOM 630 CB CYS A 381 -13.020 6.848 -5.402 1.00 32.45 C ATOM 631 SG CYS A 381 -12.301 7.541 -6.835 1.00 75.11 S ATOM 632 H CYS A 381 -13.412 5.652 -3.298 1.00 0.00 H ATOM 633 N ALA A 382 -13.575 8.960 -3.190 1.00 30.00 N ATOM 634 CA ALA A 382 -14.001 10.312 -2.956 1.00 30.00 C ATOM 635 C ALA A 382 -13.650 10.976 -1.624 1.00 30.00 C ATOM 636 O ALA A 382 -13.826 12.135 -1.487 1.00 30.00 O ATOM 637 CB ALA A 382 -15.495 10.400 -3.181 1.00 30.00 C ATOM 638 H ALA A 382 -14.167 8.185 -2.830 1.00 0.00 H ATOM 639 N TRP A 383 -13.175 10.242 -0.652 1.00 27.80 N ATOM 640 CA TRP A 383 -13.141 10.718 0.713 1.00 27.69 C ATOM 641 C TRP A 383 -12.480 12.037 0.889 1.00 28.10 C ATOM 642 O TRP A 383 -13.017 12.864 1.537 1.00 29.51 O ATOM 643 CB TRP A 383 -12.583 9.695 1.686 1.00 27.87 C ATOM 644 CG TRP A 383 -11.114 9.506 1.631 1.00 28.89 C ATOM 645 CD1 TRP A 383 -10.456 8.652 0.866 1.00 28.92 C ATOM 646 CD2 TRP A 383 -10.136 10.189 2.400 1.00 29.45 C ATOM 647 NE1 TRP A 383 -9.134 8.737 1.084 1.00 30.44 N ATOM 648 CE2 TRP A 383 -8.901 9.685 2.027 1.00 30.41 C ATOM 649 CE3 TRP A 383 -10.187 11.185 3.369 1.00 29.08 C ATOM 650 CZ2 TRP A 383 -7.724 10.128 2.581 1.00 30.20 C ATOM 651 CZ3 TRP A 383 -9.024 11.611 3.911 1.00 29.86 C ATOM 652 CH2 TRP A 383 -7.805 11.097 3.510 1.00 29.80 C ATOM 653 HE1 TRP A 383 -8.406 8.168 0.607 1.00 0.00 H ATOM 654 H TRP A 383 -12.812 9.291 -0.866 1.00 0.00 H ATOM 655 N LEU A 384 -11.330 12.240 0.288 1.00 26.85 N ATOM 656 CA LEU A 384 -10.635 13.494 0.442 1.00 27.53 C ATOM 657 C LEU A 384 -11.281 14.629 -0.300 1.00 30.06 C ATOM 658 O LEU A 384 -11.275 15.733 0.159 1.00 32.67 O ATOM 659 CB LEU A 384 -9.175 13.374 0.060 1.00 27.76 C ATOM 660 CG LEU A 384 -8.270 14.558 0.322 1.00 26.73 C ATOM 661 CD1 LEU A 384 -8.343 15.082 1.717 1.00 25.20 C ATOM 662 CD2 LEU A 384 -6.850 14.184 -0.004 1.00 27.93 C ATOM 663 H LEU A 384 -10.917 11.491 -0.303 1.00 0.00 H ATOM 664 N GLU A 385 -11.855 14.336 -1.448 1.00 28.22 N ATOM 665 CA GLU A 385 -12.594 15.336 -2.209 1.00 27.08 C ATOM 666 C GLU A 385 -13.742 15.879 -1.367 1.00 27.55 C ATOM 667 O GLU A 385 -14.046 17.075 -1.395 1.00 27.76 O ATOM 668 CB GLU A 385 -13.140 14.750 -3.516 1.00 27.37 C ATOM 669 CG GLU A 385 -12.161 14.709 -4.675 1.00 27.39 C ATOM 670 CD GLU A 385 -12.811 14.246 -5.973 1.00 27.54 C ATOM 671 OE1 GLU A 385 -12.798 13.027 -6.257 1.00 27.99 O ATOM 672 OE2 GLU A 385 -13.340 15.096 -6.715 1.00 27.12 O ATOM 673 H GLU A 385 -11.779 13.368 -1.821 1.00 0.00 H ATOM 674 N ILE A 386 -14.376 14.986 -0.615 1.00 28.36 N ATOM 675 CA ILE A 386 -15.569 15.334 0.146 1.00 28.62 C ATOM 676 C ILE A 386 -15.205 16.166 1.373 1.00 28.72 C ATOM 677 O ILE A 386 -15.847 17.182 1.647 1.00 28.11 O ATOM 678 CB ILE A 386 -16.352 14.071 0.551 1.00 28.86 C ATOM 679 CG1 ILE A 386 -16.922 13.406 -0.706 1.00 28.32 C ATOM 680 CG2 ILE A 386 -17.481 14.414 1.514 1.00 29.43 C ATOM 681 CD1 ILE A 386 -17.570 12.063 -0.473 1.00 28.24 C ATOM 682 H ILE A 386 -14.011 14.013 -0.568 1.00 0.00 H ATOM 683 N LEU A 387 -14.147 15.754 2.043 1.00 30.55 N ATOM 684 CA LEU A 387 -13.564 16.506 3.108 1.00 29.15 C ATOM 685 C LEU A 387 -13.201 17.900 2.658 1.00 29.38 C ATOM 686 O LEU A 387 -13.449 18.834 3.335 1.00 30.44 O ATOM 687 CB LEU A 387 -12.323 15.788 3.626 1.00 28.27 C ATOM 688 CG LEU A 387 -12.418 14.625 4.604 1.00 27.64 C ATOM 689 CD1 LEU A 387 -11.114 14.381 5.293 1.00 27.63 C ATOM 690 CD2 LEU A 387 -13.482 14.870 5.636 1.00 27.08 C ATOM 691 H LEU A 387 -13.719 14.842 1.785 1.00 0.00 H ATOM 692 N MET A 388 -12.603 18.002 1.496 1.00 28.44 N ATOM 693 CA MET A 388 -12.104 19.259 0.956 1.00 28.66 C ATOM 694 C MET A 388 -13.208 20.236 0.572 1.00 30.30 C ATOM 695 O MET A 388 -13.137 21.410 0.929 1.00 31.40 O ATOM 696 CB MET A 388 -11.207 18.996 -0.246 1.00 27.05 C ATOM 697 CG MET A 388 -9.804 18.569 0.150 1.00 25.82 C ATOM 698 SD MET A 388 -8.694 18.528 -1.253 1.00 31.75 S ATOM 699 CE MET A 388 -7.109 18.301 -0.449 1.00 23.47 C ATOM 700 H MET A 388 -12.478 17.139 0.929 1.00 0.00 H ATOM 701 N ILE A 389 -14.222 19.768 -0.148 1.00 29.30 N ATOM 702 CA ILE A 389 -15.304 20.659 -0.544 1.00 29.80 C ATOM 703 C ILE A 389 -16.041 21.132 0.711 1.00 30.37 C ATOM 704 O ILE A 389 -16.484 22.279 0.782 1.00 32.09 O ATOM 705 CB ILE A 389 -16.288 19.991 -1.548 1.00 24.84 C ATOM 706 CG1 ILE A 389 -17.233 21.034 -2.150 1.00 25.16 C ATOM 707 CG2 ILE A 389 -17.067 18.842 -0.903 1.00 21.19 C ATOM 708 CD1 ILE A 389 -17.988 20.556 -3.394 1.00 24.57 C ATOM 709 H ILE A 389 -14.243 18.767 -0.428 1.00 0.00 H ATOM 710 N GLY A 390 -16.135 20.257 1.709 1.00 28.27 N ATOM 711 CA GLY A 390 -16.756 20.602 2.972 1.00 29.76 C ATOM 712 C GLY A 390 -15.977 21.714 3.639 1.00 31.12 C ATOM 713 O GLY A 390 -16.551 22.695 4.117 1.00 31.47 O ATOM 714 H GLY A 390 -15.752 19.299 1.579 1.00 0.00 H ATOM 715 N LEU A 391 -14.657 21.564 3.652 1.00 32.69 N ATOM 716 CA LEU A 391 -13.779 22.578 4.206 1.00 32.74 C ATOM 717 C LEU A 391 -13.950 23.889 3.466 1.00 32.84 C ATOM 718 O LEU A 391 -14.085 24.946 4.079 1.00 34.65 O ATOM 719 CB LEU A 391 -12.318 22.137 4.139 1.00 32.06 C ATOM 720 CG LEU A 391 -11.336 23.252 4.512 1.00 31.96 C ATOM 721 CD1 LEU A 391 -11.584 23.699 5.938 1.00 31.65 C ATOM 722 CD2 LEU A 391 -9.889 22.826 4.325 1.00 31.25 C ATOM 723 H LEU A 391 -14.242 20.697 3.255 1.00 0.00 H ATOM 724 N VAL A 392 -13.943 23.806 2.142 1.00 31.68 N ATOM 725 CA VAL A 392 -14.052 24.987 1.297 1.00 33.78 C ATOM 726 C VAL A 392 -15.376 25.713 1.549 1.00 35.63 C ATOM 727 O VAL A 392 -15.441 26.942 1.502 1.00 38.21 O ATOM 728 CB VAL A 392 -13.917 24.606 -0.194 1.00 34.89 C ATOM 729 CG1 VAL A 392 -14.159 25.798 -1.078 1.00 37.19 C ATOM 730 CG2 VAL A 392 -12.534 24.039 -0.468 1.00 34.52 C ATOM 731 H VAL A 392 -13.857 22.871 1.695 1.00 0.00 H ATOM 732 N TRP A 393 -16.425 24.947 1.839 1.00 33.53 N ATOM 733 CA TRP A 393 -17.736 25.524 2.118 1.00 33.15 C ATOM 734 C TRP A 393 -17.766 26.210 3.492 1.00 34.02 C ATOM 735 O TRP A 393 -18.351 27.284 3.634 1.00 33.78 O ATOM 736 CB TRP A 393 -18.819 24.443 2.018 1.00 31.97 C ATOM 737 CG TRP A 393 -20.120 24.802 2.659 1.00 33.38 C ATOM 738 CD1 TRP A 393 -20.588 24.352 3.859 1.00 33.84 C ATOM 739 CD2 TRP A 393 -21.129 25.679 2.137 1.00 34.06 C ATOM 740 NE1 TRP A 393 -21.826 24.895 4.115 1.00 35.17 N ATOM 741 CE2 TRP A 393 -22.177 25.714 3.076 1.00 35.11 C ATOM 742 CE3 TRP A 393 -21.244 26.442 0.970 1.00 34.74 C ATOM 743 CZ2 TRP A 393 -23.327 26.482 2.887 1.00 37.62 C ATOM 744 CZ3 TRP A 393 -22.385 27.203 0.783 1.00 36.71 C ATOM 745 CH2 TRP A 393 -23.408 27.220 1.736 1.00 38.58 C ATOM 746 HE1 TRP A 393 -22.402 24.713 4.961 1.00 0.00 H ATOM 747 H TRP A 393 -16.308 23.914 1.867 1.00 0.00 H ATOM 748 N ARG A 394 -17.125 25.607 4.493 1.00 32.94 N ATOM 749 CA ARG A 394 -17.038 26.238 5.813 1.00 34.29 C ATOM 750 C ARG A 394 -16.212 27.514 5.733 1.00 35.39 C ATOM 751 O ARG A 394 -16.399 28.434 6.522 1.00 36.77 O ATOM 752 CB ARG A 394 -16.417 25.295 6.858 1.00 34.14 C ATOM 753 CG ARG A 394 -17.151 23.977 7.064 1.00 34.10 C ATOM 754 CD ARG A 394 -16.688 23.254 8.332 1.00 35.14 C ATOM 755 NE ARG A 394 -15.352 22.669 8.219 1.00 34.58 N ATOM 756 CZ ARG A 394 -15.098 21.493 7.653 1.00 33.90 C ATOM 757 NH1 ARG A 394 -16.087 20.779 7.132 1.00 34.58 N ATOM 758 NH2 ARG A 394 -13.855 21.032 7.597 1.00 33.02 N ATOM 759 HE ARG A 394 -14.550 23.207 8.606 1.00 0.00 H ATOM 760 HH12 ARG A 394 -15.887 19.859 6.689 1.00 0.00 H ATOM 761 HH11 ARG A 394 -17.062 21.139 7.166 1.00 0.00 H ATOM 762 HH22 ARG A 394 -13.661 20.112 7.153 1.00 0.00 H ATOM 763 HH21 ARG A 394 -13.075 21.591 7.997 1.00 0.00 H ATOM 764 H ARG A 394 -16.682 24.679 4.336 1.00 0.00 H ATOM 765 N SER A 395 -15.293 27.560 4.774 1.00 36.64 N ATOM 766 CA SER A 395 -14.333 28.654 4.690 1.00 37.79 C ATOM 767 C SER A 395 -14.845 29.851 3.897 1.00 39.39 C ATOM 768 O SER A 395 -14.178 30.875 3.807 1.00 39.40 O ATOM 769 CB SER A 395 -13.032 28.162 4.058 1.00 35.78 C ATOM 770 OG SER A 395 -12.457 27.149 4.854 1.00 35.71 O ATOM 771 HG SER A 395 -13.089 26.391 4.928 1.00 0.00 H ATOM 772 H SER A 395 -15.258 26.798 4.067 1.00 0.00 H ATOM 773 N MET A 396 -16.031 29.725 3.340 1.00 39.06 N ATOM 774 CA MET A 396 -16.557 30.682 2.390 1.00 40.52 C ATOM 775 C MET A 396 -16.747 32.081 2.900 1.00 41.67 C ATOM 776 O MET A 396 -16.455 33.010 2.213 1.00 43.10 O ATOM 777 CB MET A 396 -17.846 30.182 1.803 1.00 41.60 C ATOM 778 CG MET A 396 -17.881 30.217 0.308 1.00 42.52 C ATOM 779 SD MET A 396 -19.413 29.546 -0.211 1.00 46.17 S ATOM 780 CE MET A 396 -20.448 30.949 -0.086 1.00 45.16 C ATOM 781 H MET A 396 -16.615 28.903 3.593 1.00 0.00 H ATOM 782 N GLU A 397 -17.225 32.207 4.123 1.00 41.20 N ATOM 783 CA GLU A 397 -17.432 33.514 4.734 1.00 43.34 C ATOM 784 C GLU A 397 -16.175 34.024 5.439 1.00 43.53 C ATOM 785 O GLU A 397 -16.201 35.077 6.068 1.00 45.45 O ATOM 786 CB GLU A 397 -18.602 33.475 5.715 1.00 44.36 C ATOM 787 H GLU A 397 -17.460 31.351 4.665 1.00 0.00 H ATOM 788 N HIS A 398 -15.078 33.276 5.329 1.00 42.69 N ATOM 789 CA HIS A 398 -13.822 33.661 5.969 1.00 42.29 C ATOM 790 C HIS A 398 -12.658 33.774 4.977 1.00 40.78 C ATOM 791 O HIS A 398 -11.797 32.897 4.921 1.00 39.15 O ATOM 792 CB HIS A 398 -13.477 32.663 7.073 1.00 43.19 C ATOM 793 CG HIS A 398 -14.542 32.539 8.115 1.00 46.60 C ATOM 794 ND1 HIS A 398 -15.415 31.474 8.168 1.00 47.07 N ATOM 795 CD2 HIS A 398 -14.894 33.364 9.128 1.00 49.25 C ATOM 796 CE1 HIS A 398 -16.254 31.645 9.174 1.00 48.91 C ATOM 797 NE2 HIS A 398 -15.956 32.782 9.775 1.00 50.41 N ATOM 798 H HIS A 398 -15.116 32.397 4.774 1.00 0.00 H ATOM 799 N PRO A 399 -12.656 34.850 4.196 1.00 41.90 N ATOM 800 CA PRO A 399 -11.633 35.061 3.167 1.00 40.98 C ATOM 801 C PRO A 399 -10.217 34.989 3.727 1.00 40.16 C ATOM 802 O PRO A 399 -9.970 35.434 4.848 1.00 42.17 O ATOM 803 CB PRO A 399 -11.929 36.479 2.673 1.00 42.50 C ATOM 804 CG PRO A 399 -13.389 36.657 2.915 1.00 42.98 C ATOM 805 CD PRO A 399 -13.690 35.899 4.177 1.00 42.51 C ATOM 806 N GLY A 400 -9.300 34.431 2.944 1.00 35.76 N ATOM 807 CA GLY A 400 -7.912 34.330 3.344 1.00 36.67 C ATOM 808 C GLY A 400 -7.702 33.232 4.367 1.00 38.00 C ATOM 809 O GLY A 400 -6.578 32.995 4.811 1.00 39.52 O ATOM 810 H GLY A 400 -9.587 34.056 2.017 1.00 0.00 H ATOM 811 N LYS A 401 -8.778 32.548 4.738 1.00 38.93 N ATOM 812 CA LYS A 401 -8.693 31.561 5.806 1.00 38.42 C ATOM 813 C LYS A 401 -9.414 30.255 5.512 1.00 36.98 C ATOM 814 O LYS A 401 -10.317 30.190 4.677 1.00 35.74 O ATOM 815 CB LYS A 401 -9.233 32.158 7.105 1.00 38.96 C ATOM 816 CG LYS A 401 -8.254 33.097 7.765 1.00 40.55 C ATOM 817 CD LYS A 401 -8.936 34.007 8.751 1.00 42.71 C ATOM 818 CE LYS A 401 -8.038 35.177 9.085 1.00 45.96 C ATOM 819 NZ LYS A 401 -8.821 36.332 9.602 1.00 48.70 N ATOM 820 HZ1 LYS A 401 -9.506 36.636 8.880 1.00 0.00 H ATOM 821 HZ2 LYS A 401 -9.328 36.047 10.464 1.00 0.00 H ATOM 822 HZ3 LYS A 401 -8.175 37.117 9.821 1.00 0.00 H ATOM 823 H LYS A 401 -9.687 32.718 4.263 1.00 0.00 H ATOM 824 N LEU A 402 -8.996 29.215 6.228 1.00 37.30 N ATOM 825 CA LEU A 402 -9.602 27.899 6.114 1.00 36.17 C ATOM 826 C LEU A 402 -10.195 27.464 7.450 1.00 35.60 C ATOM 827 O LEU A 402 -9.494 27.390 8.459 1.00 34.87 O ATOM 828 CB LEU A 402 -8.573 26.879 5.627 1.00 35.95 C ATOM 829 CG LEU A 402 -8.022 27.105 4.218 1.00 35.44 C ATOM 830 CD1 LEU A 402 -7.088 25.972 3.813 1.00 34.41 C ATOM 831 CD2 LEU A 402 -9.160 27.244 3.223 1.00 34.68 C ATOM 832 H LEU A 402 -8.208 29.348 6.893 1.00 0.00 H ATOM 833 N LEU A 403 -11.494 27.182 7.454 1.00 35.54 N ATOM 834 CA LEU A 403 -12.177 26.812 8.685 1.00 35.84 C ATOM 835 C LEU A 403 -12.266 25.296 8.811 1.00 33.09 C ATOM 836 O LEU A 403 -13.294 24.691 8.502 1.00 32.21 O ATOM 837 CB LEU A 403 -13.572 27.441 8.738 1.00 37.60 C ATOM 838 CG LEU A 403 -14.170 27.589 10.140 1.00 40.33 C ATOM 839 CD1 LEU A 403 -14.957 28.873 10.246 1.00 41.36 C ATOM 840 CD2 LEU A 403 -15.053 26.404 10.501 1.00 40.89 C ATOM 841 H LEU A 403 -12.030 27.226 6.564 1.00 0.00 H ATOM 842 N PHE A 404 -11.168 24.685 9.247 1.00 33.28 N ATOM 843 CA PHE A 404 -11.123 23.243 9.456 1.00 31.95 C ATOM 844 C PHE A 404 -12.097 22.858 10.551 1.00 31.48 C ATOM 845 O PHE A 404 -12.770 21.831 10.480 1.00 30.12 O ATOM 846 CB PHE A 404 -9.706 22.800 9.816 1.00 33.16 C ATOM 847 CG PHE A 404 -8.748 22.861 8.666 1.00 32.74 C ATOM 848 CD1 PHE A 404 -8.063 24.027 8.376 1.00 32.42 C ATOM 849 CD2 PHE A 404 -8.543 21.752 7.868 1.00 32.26 C ATOM 850 CE1 PHE A 404 -7.188 24.079 7.314 1.00 32.48 C ATOM 851 CE2 PHE A 404 -7.667 21.800 6.806 1.00 31.94 C ATOM 852 CZ PHE A 404 -6.990 22.963 6.528 1.00 32.00 C ATOM 853 H PHE A 404 -10.318 25.251 9.444 1.00 0.00 H ATOM 854 N ALA A 405 -12.155 23.713 11.565 1.00 31.81 N ATOM 855 CA ALA A 405 -13.071 23.571 12.673 1.00 33.94 C ATOM 856 C ALA A 405 -13.362 24.980 13.171 1.00 36.12 C ATOM 857 O ALA A 405 -12.624 25.904 12.843 1.00 37.08 O ATOM 858 CB ALA A 405 -12.470 22.701 13.768 1.00 34.55 C ATOM 859 H ALA A 405 -11.508 24.527 11.561 1.00 0.00 H ATOM 860 N PRO A 406 -14.455 25.164 13.925 1.00 36.74 N ATOM 861 CA PRO A 406 -14.723 26.503 14.459 1.00 38.50 C ATOM 862 C PRO A 406 -13.626 27.013 15.402 1.00 40.01 C ATOM 863 O PRO A 406 -13.525 28.222 15.603 1.00 42.12 O ATOM 864 CB PRO A 406 -16.047 26.321 15.208 1.00 39.38 C ATOM 865 CG PRO A 406 -16.718 25.206 14.483 1.00 39.20 C ATOM 866 CD PRO A 406 -15.608 24.262 14.101 1.00 37.07 C ATOM 867 N ASN A 407 -12.823 26.111 15.964 1.00 37.50 N ATOM 868 CA ASN A 407 -11.715 26.507 16.828 1.00 38.34 C ATOM 869 C ASN A 407 -10.352 26.270 16.179 1.00 38.32 C ATOM 870 O ASN A 407 -9.331 26.202 16.859 1.00 41.24 O ATOM 871 CB ASN A 407 -11.791 25.769 18.170 1.00 39.19 C ATOM 872 CG ASN A 407 -11.789 24.257 18.013 1.00 37.73 C ATOM 873 OD1 ASN A 407 -11.903 23.731 16.907 1.00 35.72 O ATOM 874 ND2 ASN A 407 -11.674 23.549 19.134 1.00 38.69 N ATOM 875 HD22 ASN A 407 -11.580 24.035 20.049 1.00 0.00 H ATOM 876 HD21 ASN A 407 -11.678 22.510 19.095 1.00 0.00 H ATOM 877 H ASN A 407 -12.989 25.100 15.783 1.00 0.00 H ATOM 878 N LEU A 408 -10.346 26.145 14.855 1.00 36.42 N ATOM 879 CA LEU A 408 -9.113 25.943 14.104 1.00 35.54 C ATOM 880 C LEU A 408 -9.203 26.668 12.765 1.00 35.52 C ATOM 881 O LEU A 408 -9.395 26.050 11.716 1.00 34.53 O ATOM 882 CB LEU A 408 -8.845 24.450 13.897 1.00 34.03 C ATOM 883 CG LEU A 408 -7.480 24.021 13.344 1.00 32.45 C ATOM 884 CD1 LEU A 408 -6.361 24.361 14.319 1.00 33.85 C ATOM 885 CD2 LEU A 408 -7.475 22.535 13.021 1.00 30.74 C ATOM 886 H LEU A 408 -11.248 26.193 14.340 1.00 0.00 H ATOM 887 N LEU A 409 -9.085 27.989 12.818 1.00 36.55 N ATOM 888 CA LEU A 409 -9.123 28.835 11.633 1.00 37.35 C ATOM 889 C LEU A 409 -7.689 29.193 11.216 1.00 38.03 C ATOM 890 O LEU A 409 -7.010 29.952 11.907 1.00 37.85 O ATOM 891 CB LEU A 409 -9.954 30.092 11.918 1.00 39.27 C ATOM 892 CG LEU A 409 -10.327 31.043 10.781 1.00 40.22 C ATOM 893 CD1 LEU A 409 -11.048 30.295 9.680 1.00 38.86 C ATOM 894 CD2 LEU A 409 -11.193 32.179 11.313 1.00 42.32 C ATOM 895 H LEU A 409 -8.960 28.440 13.747 1.00 0.00 H ATOM 896 N LEU A 410 -7.231 28.633 10.095 1.00 38.02 N ATOM 897 CA LEU A 410 -5.838 28.779 9.658 1.00 40.02 C ATOM 898 C LEU A 410 -5.703 29.606 8.381 1.00 43.11 C ATOM 899 O LEU A 410 -6.372 29.317 7.389 1.00 42.63 O ATOM 900 CB LEU A 410 -5.203 27.401 9.416 1.00 38.00 C ATOM 901 CG LEU A 410 -5.182 26.330 10.515 1.00 37.17 C ATOM 902 CD1 LEU A 410 -4.630 25.012 9.973 1.00 35.57 C ATOM 903 CD2 LEU A 410 -4.374 26.789 11.715 1.00 38.22 C ATOM 904 H LEU A 410 -7.884 28.073 9.510 1.00 0.00 H ATOM 905 N ASP A 411 -4.830 30.614 8.381 1.00 45.37 N ATOM 906 CA ASP A 411 -4.537 31.315 7.127 1.00 46.36 C ATOM 907 C ASP A 411 -3.360 30.642 6.415 1.00 45.12 C ATOM 908 O ASP A 411 -2.815 29.656 6.913 1.00 44.67 O ATOM 909 CB ASP A 411 -4.278 32.818 7.353 1.00 48.93 C ATOM 910 CG ASP A 411 -3.037 33.108 8.189 1.00 51.63 C ATOM 911 OD1 ASP A 411 -2.074 32.314 8.186 1.00 52.61 O ATOM 912 OD2 ASP A 411 -3.021 34.172 8.845 1.00 53.08 O ATOM 913 H ASP A 411 -4.361 30.901 9.264 1.00 0.00 H ATOM 914 N ARG A 412 -2.967 31.177 5.259 1.00 43.14 N ATOM 915 CA ARG A 412 -2.019 30.489 4.382 1.00 43.43 C ATOM 916 C ARG A 412 -0.621 30.373 4.987 1.00 46.44 C ATOM 917 O ARG A 412 0.071 29.381 4.756 1.00 46.99 O ATOM 918 CB ARG A 412 -1.937 31.191 3.017 1.00 43.74 C ATOM 919 CG ARG A 412 -1.033 32.413 2.977 1.00 45.46 C ATOM 920 CD ARG A 412 -0.953 33.026 1.588 1.00 46.10 C ATOM 921 NE ARG A 412 -0.282 32.161 0.618 1.00 45.13 N ATOM 922 CZ ARG A 412 1.037 32.035 0.511 1.00 46.29 C ATOM 923 NH1 ARG A 412 1.841 32.705 1.327 1.00 47.42 N ATOM 924 NH2 ARG A 412 1.555 31.230 -0.408 1.00 46.63 N ATOM 925 HE ARG A 412 -0.877 31.608 -0.031 1.00 0.00 H ATOM 926 HH12 ARG A 412 2.872 32.604 1.240 1.00 0.00 H ATOM 927 HH11 ARG A 412 1.440 33.332 2.054 1.00 0.00 H ATOM 928 HH22 ARG A 412 2.587 31.132 -0.491 1.00 0.00 H ATOM 929 HH21 ARG A 412 0.929 30.697 -1.045 1.00 0.00 H ATOM 930 H ARG A 412 -3.343 32.104 4.974 1.00 0.00 H ATOM 931 N ASN A 413 -0.211 31.377 5.758 1.00 47.32 N ATOM 932 CA ASN A 413 1.105 31.374 6.380 1.00 49.20 C ATOM 933 C ASN A 413 1.277 30.155 7.258 1.00 48.60 C ATOM 934 O ASN A 413 2.337 29.538 7.289 1.00 50.40 O ATOM 935 CB ASN A 413 1.319 32.642 7.203 1.00 52.32 C ATOM 936 CG ASN A 413 1.537 33.864 6.339 1.00 54.69 C ATOM 937 OD1 ASN A 413 2.367 33.853 5.429 1.00 56.27 O ATOM 938 ND2 ASN A 413 0.785 34.927 6.613 1.00 55.07 N ATOM 939 HD22 ASN A 413 0.097 34.890 7.392 1.00 0.00 H ATOM 940 HD21 ASN A 413 0.886 35.795 6.048 1.00 0.00 H ATOM 941 H ASN A 413 -0.847 32.184 5.920 1.00 0.00 H ATOM 942 N GLN A 414 0.211 29.799 7.962 1.00 47.79 N ATOM 943 CA GLN A 414 0.251 28.671 8.876 1.00 47.66 C ATOM 944 C GLN A 414 0.366 27.356 8.103 1.00 45.13 C ATOM 945 O GLN A 414 0.750 26.333 8.660 1.00 45.36 O ATOM 946 CB GLN A 414 -0.977 28.701 9.786 1.00 47.95 C ATOM 947 CG GLN A 414 -1.026 29.974 10.641 1.00 50.34 C ATOM 948 CD GLN A 414 -2.329 30.150 11.399 1.00 51.51 C ATOM 949 OE1 GLN A 414 -3.324 30.623 10.849 1.00 51.46 O ATOM 950 NE2 GLN A 414 -2.324 29.781 12.673 1.00 53.09 N ATOM 951 HE22 GLN A 414 -1.460 29.386 13.097 1.00 0.00 H ATOM 952 HE21 GLN A 414 -3.184 29.887 13.248 1.00 0.00 H ATOM 953 H GLN A 414 -0.672 30.339 7.857 1.00 0.00 H ATOM 954 N GLY A 415 0.069 27.395 6.809 1.00 44.40 N ATOM 955 CA GLY A 415 0.332 26.260 5.945 1.00 43.17 C ATOM 956 C GLY A 415 1.822 25.970 5.833 1.00 44.49 C ATOM 957 O GLY A 415 2.224 24.822 5.657 1.00 44.98 O ATOM 958 H GLY A 415 -0.359 28.254 6.409 1.00 0.00 H ATOM 959 N LYS A 416 2.642 27.011 5.950 1.00 44.48 N ATOM 960 CA LYS A 416 4.099 26.867 5.857 1.00 46.99 C ATOM 961 C LYS A 416 4.690 26.021 6.979 1.00 48.27 C ATOM 962 O LYS A 416 5.861 25.641 6.919 1.00 51.18 O ATOM 963 CB LYS A 416 4.774 28.242 5.854 1.00 48.72 C ATOM 964 CG LYS A 416 4.628 28.992 4.544 1.00 48.93 C ATOM 965 CD LYS A 416 5.015 30.456 4.670 1.00 50.69 C ATOM 966 CE LYS A 416 4.668 31.202 3.391 1.00 50.67 C ATOM 967 NZ LYS A 416 5.486 32.425 3.207 1.00 53.64 N ATOM 968 HZ1 LYS A 416 5.328 33.070 4.007 1.00 0.00 H ATOM 969 HZ2 LYS A 416 6.492 32.164 3.164 1.00 0.00 H ATOM 970 HZ3 LYS A 416 5.210 32.895 2.321 1.00 0.00 H ATOM 971 H LYS A 416 2.238 27.955 6.112 1.00 0.00 H ATOM 972 N CYS A 417 3.889 25.735 8.002 1.00 44.26 N ATOM 973 CA CYS A 417 4.340 24.927 9.132 1.00 45.85 C ATOM 974 C CYS A 417 4.532 23.470 8.730 1.00 45.89 C ATOM 975 O CYS A 417 5.171 22.697 9.448 1.00 46.90 O ATOM 976 CB CYS A 417 3.348 25.030 10.294 1.00 45.34 C ATOM 977 SG CYS A 417 3.303 26.645 11.103 1.00 58.94 S ATOM 978 H CYS A 417 2.914 26.097 7.997 1.00 0.00 H ATOM 979 N VAL A 418 4.024 23.091 7.579 1.00 48.03 N ATOM 980 CA VAL A 418 4.266 21.754 7.120 1.00 47.05 C ATOM 981 C VAL A 418 4.680 21.741 5.670 1.00 48.09 C ATOM 982 O VAL A 418 4.114 22.419 4.853 1.00 46.56 O ATOM 983 CB VAL A 418 3.107 20.825 7.469 1.00 44.02 C ATOM 984 CG1 VAL A 418 1.795 21.525 7.428 1.00 44.29 C ATOM 985 CG2 VAL A 418 3.120 19.559 6.669 1.00 42.93 C ATOM 986 H VAL A 418 3.455 23.750 7.010 1.00 0.00 H ATOM 987 N GLU A 419 5.736 21.006 5.378 1.00 48.75 N ATOM 988 CA GLU A 419 6.350 21.062 4.059 1.00 50.55 C ATOM 989 C GLU A 419 5.354 20.557 3.010 1.00 46.81 C ATOM 990 O GLU A 419 4.695 19.531 3.195 1.00 45.72 O ATOM 991 CB GLU A 419 7.673 20.285 4.015 1.00 54.30 C ATOM 992 CG GLU A 419 7.583 18.783 3.795 1.00 56.07 C ATOM 993 CD GLU A 419 8.914 18.197 3.356 1.00 61.94 C ATOM 994 OE1 GLU A 419 9.197 17.027 3.691 1.00 63.82 O ATOM 995 OE2 GLU A 419 9.680 18.914 2.675 1.00 65.10 O ATOM 996 H GLU A 419 6.137 20.376 6.102 1.00 0.00 H ATOM 997 N GLY A 420 5.211 21.333 1.938 1.00 44.29 N ATOM 998 CA GLY A 420 4.329 20.989 0.840 1.00 42.05 C ATOM 999 C GLY A 420 2.873 21.374 1.037 1.00 39.95 C ATOM 1000 O GLY A 420 2.053 21.187 0.135 1.00 38.42 O ATOM 1001 H GLY A 420 5.752 22.219 1.886 1.00 0.00 H ATOM 1002 N MET A 421 2.544 21.924 2.203 1.00 43.10 N ATOM 1003 CA MET A 421 1.146 22.180 2.554 1.00 39.90 C ATOM 1004 C MET A 421 0.595 23.498 2.021 1.00 38.72 C ATOM 1005 O MET A 421 -0.564 23.559 1.611 1.00 39.68 O ATOM 1006 CB MET A 421 0.971 22.144 4.075 1.00 38.31 C ATOM 1007 CG MET A 421 -0.438 22.466 4.545 1.00 36.78 C ATOM 1008 SD MET A 421 -1.602 21.117 4.290 1.00 40.96 S ATOM 1009 CE MET A 421 -1.076 19.972 5.560 1.00 33.25 C ATOM 1010 H MET A 421 3.294 22.177 2.878 1.00 0.00 H ATOM 1011 N VAL A 422 1.407 24.549 2.025 1.00 39.60 N ATOM 1012 CA VAL A 422 0.913 25.889 1.699 1.00 40.74 C ATOM 1013 C VAL A 422 0.394 26.002 0.258 1.00 40.70 C ATOM 1014 O VAL A 422 -0.475 26.830 -0.027 1.00 41.58 O ATOM 1015 CB VAL A 422 2.005 26.969 1.937 1.00 34.76 C ATOM 1016 CG1 VAL A 422 3.094 26.896 0.872 1.00 34.04 C ATOM 1017 CG2 VAL A 422 1.382 28.361 1.966 1.00 35.55 C ATOM 1018 H VAL A 422 2.411 24.418 2.264 1.00 0.00 H ATOM 1019 N GLU A 423 0.905 25.170 -0.647 1.00 39.12 N ATOM 1020 CA GLU A 423 0.404 25.183 -2.019 1.00 38.07 C ATOM 1021 C GLU A 423 -0.981 24.557 -2.057 1.00 35.70 C ATOM 1022 O GLU A 423 -1.828 24.949 -2.856 1.00 36.44 O ATOM 1023 CB GLU A 423 1.347 24.449 -2.978 1.00 38.70 C ATOM 1024 CG GLU A 423 2.313 23.488 -2.323 1.00 40.27 C ATOM 1025 CD GLU A 423 3.520 24.190 -1.733 1.00 41.86 C ATOM 1026 OE1 GLU A 423 3.828 23.945 -0.549 1.00 42.28 O ATOM 1027 OE2 GLU A 423 4.156 24.990 -2.450 1.00 42.82 O ATOM 1028 H GLU A 423 1.662 24.510 -0.377 1.00 0.00 H ATOM 1029 N ILE A 424 -1.210 23.584 -1.186 1.00 35.52 N ATOM 1030 CA ILE A 424 -2.523 22.972 -1.087 1.00 33.55 C ATOM 1031 C ILE A 424 -3.485 23.971 -0.440 1.00 32.89 C ATOM 1032 O ILE A 424 -4.622 24.114 -0.885 1.00 32.52 O ATOM 1033 CB ILE A 424 -2.463 21.645 -0.303 1.00 33.15 C ATOM 1034 CG1 ILE A 424 -1.562 20.654 -1.047 1.00 32.70 C ATOM 1035 CG2 ILE A 424 -3.848 21.059 -0.130 1.00 32.82 C ATOM 1036 CD1 ILE A 424 -1.415 19.322 -0.359 1.00 34.23 C ATOM 1037 H ILE A 424 -0.441 23.256 -0.567 1.00 0.00 H ATOM 1038 N PHE A 425 -3.009 24.688 0.580 1.00 32.81 N ATOM 1039 CA PHE A 425 -3.766 25.785 1.188 1.00 33.83 C ATOM 1040 C PHE A 425 -4.207 26.825 0.170 1.00 36.10 C ATOM 1041 O PHE A 425 -5.383 27.192 0.122 1.00 36.89 O ATOM 1042 CB PHE A 425 -2.939 26.478 2.275 1.00 34.31 C ATOM 1043 CG PHE A 425 -3.173 25.944 3.659 1.00 33.32 C ATOM 1044 CD1 PHE A 425 -3.287 24.581 3.887 1.00 31.95 C ATOM 1045 CD2 PHE A 425 -3.261 26.810 4.742 1.00 33.59 C ATOM 1046 CE1 PHE A 425 -3.496 24.089 5.166 1.00 32.50 C ATOM 1047 CE2 PHE A 425 -3.469 26.326 6.025 1.00 33.66 C ATOM 1048 CZ PHE A 425 -3.583 24.963 6.235 1.00 32.93 C ATOM 1049 H PHE A 425 -2.067 24.460 0.957 1.00 0.00 H ATOM 1050 N ASP A 426 -3.255 27.309 -0.630 1.00 36.70 N ATOM 1051 CA ASP A 426 -3.534 28.318 -1.655 1.00 36.85 C ATOM 1052 C ASP A 426 -4.648 27.853 -2.588 1.00 35.19 C ATOM 1053 O ASP A 426 -5.574 28.610 -2.892 1.00 34.62 O ATOM 1054 CB ASP A 426 -2.270 28.640 -2.466 1.00 38.24 C ATOM 1055 CG ASP A 426 -1.260 29.480 -1.684 1.00 41.86 C ATOM 1056 OD1 ASP A 426 -1.682 30.342 -0.884 1.00 44.40 O ATOM 1057 OD2 ASP A 426 -0.040 29.284 -1.877 1.00 41.68 O ATOM 1058 H ASP A 426 -2.282 26.958 -0.522 1.00 0.00 H ATOM 1059 N MET A 427 -4.554 26.601 -3.034 1.00 33.77 N ATOM 1060 CA MET A 427 -5.559 26.015 -3.915 1.00 33.23 C ATOM 1061 C MET A 427 -6.939 26.003 -3.257 1.00 32.98 C ATOM 1062 O MET A 427 -7.930 26.414 -3.862 1.00 33.43 O ATOM 1063 CB MET A 427 -5.162 24.587 -4.315 1.00 33.18 C ATOM 1064 CG MET A 427 -3.944 24.495 -5.226 1.00 33.40 C ATOM 1065 SD MET A 427 -3.805 22.900 -6.078 1.00 39.74 S ATOM 1066 CE MET A 427 -3.089 21.859 -4.815 1.00 27.21 C ATOM 1067 H MET A 427 -3.739 26.023 -2.745 1.00 0.00 H ATOM 1068 N LEU A 428 -6.991 25.530 -2.014 1.00 32.51 N ATOM 1069 CA LEU A 428 -8.233 25.470 -1.255 1.00 32.21 C ATOM 1070 C LEU A 428 -8.819 26.859 -1.071 1.00 34.10 C ATOM 1071 O LEU A 428 -10.030 27.044 -1.163 1.00 35.45 O ATOM 1072 CB LEU A 428 -8.001 24.813 0.103 1.00 31.06 C ATOM 1073 CG LEU A 428 -7.691 23.314 0.085 1.00 27.55 C ATOM 1074 CD1 LEU A 428 -7.028 22.899 1.382 1.00 33.29 C ATOM 1075 CD2 LEU A 428 -8.962 22.510 -0.147 1.00 27.09 C ATOM 1076 H LEU A 428 -6.114 25.191 -1.569 1.00 0.00 H ATOM 1077 N LEU A 429 -7.951 27.832 -0.816 1.00 33.80 N ATOM 1078 CA LEU A 429 -8.365 29.227 -0.681 1.00 34.60 C ATOM 1079 C LEU A 429 -8.877 29.804 -1.997 1.00 36.57 C ATOM 1080 O LEU A 429 -9.760 30.662 -2.000 1.00 38.47 O ATOM 1081 CB LEU A 429 -7.205 30.076 -0.165 1.00 34.33 C ATOM 1082 CG LEU A 429 -6.857 29.895 1.308 1.00 35.24 C ATOM 1083 CD1 LEU A 429 -5.464 30.444 1.600 1.00 35.27 C ATOM 1084 CD2 LEU A 429 -7.914 30.568 2.179 1.00 30.61 C ATOM 1085 H LEU A 429 -6.944 27.593 -0.709 1.00 0.00 H ATOM 1086 N ALA A 430 -8.307 29.347 -3.108 1.00 35.85 N ATOM 1087 CA ALA A 430 -8.745 29.793 -4.424 1.00 37.07 C ATOM 1088 C ALA A 430 -10.155 29.286 -4.704 1.00 37.07 C ATOM 1089 O ALA A 430 -10.968 29.979 -5.315 1.00 36.79 O ATOM 1090 CB ALA A 430 -7.781 29.318 -5.506 1.00 36.46 C ATOM 1091 H ALA A 430 -7.532 28.657 -3.036 1.00 0.00 H ATOM 1092 N THR A 431 -10.441 28.078 -4.239 1.00 37.83 N ATOM 1093 CA THR A 431 -11.735 27.455 -4.467 1.00 37.15 C ATOM 1094 C THR A 431 -12.823 28.122 -3.634 1.00 38.41 C ATOM 1095 O THR A 431 -13.940 28.313 -4.107 1.00 39.15 O ATOM 1096 CB THR A 431 -11.702 25.954 -4.153 1.00 35.78 C ATOM 1097 OG1 THR A 431 -10.580 25.358 -4.813 1.00 36.28 O ATOM 1098 CG2 THR A 431 -12.975 25.280 -4.631 1.00 34.11 C ATOM 1099 HG1 THR A 431 -9.746 25.783 -4.492 1.00 0.00 H ATOM 1100 H THR A 431 -9.720 27.561 -3.696 1.00 0.00 H ATOM 1101 N SER A 432 -12.490 28.486 -2.398 1.00 37.55 N ATOM 1102 CA SER A 432 -13.455 29.181 -1.551 1.00 39.90 C ATOM 1103 C SER A 432 -13.795 30.556 -2.134 1.00 39.28 C ATOM 1104 O SER A 432 -14.949 30.974 -2.094 1.00 39.39 O ATOM 1105 CB SER A 432 -12.937 29.314 -0.120 1.00 42.84 C ATOM 1106 OG SER A 432 -12.361 30.588 0.100 1.00 46.24 O ATOM 1107 HG SER A 432 -11.604 30.719 -0.524 1.00 0.00 H ATOM 1108 H SER A 432 -11.539 28.275 -2.034 1.00 0.00 H ATOM 1109 N SER A 433 -12.793 31.245 -2.677 1.00 40.78 N ATOM 1110 CA SER A 433 -13.021 32.496 -3.398 1.00 40.91 C ATOM 1111 C SER A 433 -14.035 32.304 -4.514 1.00 40.54 C ATOM 1112 O SER A 433 -14.976 33.080 -4.652 1.00 41.42 O ATOM 1113 CB SER A 433 -11.729 33.041 -3.994 1.00 40.92 C ATOM 1114 OG SER A 433 -10.809 33.383 -2.979 1.00 43.03 O ATOM 1115 HG SER A 433 -10.597 32.578 -2.442 1.00 0.00 H ATOM 1116 H SER A 433 -11.822 30.883 -2.586 1.00 0.00 H ATOM 1117 N ARG A 434 -13.816 31.259 -5.306 1.00 40.06 N ATOM 1118 CA ARG A 434 -14.682 30.961 -6.433 1.00 39.83 C ATOM 1119 C ARG A 434 -16.120 30.767 -5.974 1.00 40.74 C ATOM 1120 O ARG A 434 -17.061 31.224 -6.624 1.00 41.03 O ATOM 1121 CB ARG A 434 -14.189 29.721 -7.171 1.00 38.68 C ATOM 1122 CG ARG A 434 -14.992 29.402 -8.405 1.00 37.72 C ATOM 1123 CD ARG A 434 -14.971 30.544 -9.402 1.00 38.08 C ATOM 1124 NE ARG A 434 -15.824 30.243 -10.545 1.00 39.17 N ATOM 1125 CZ ARG A 434 -16.468 31.155 -11.263 1.00 39.35 C ATOM 1126 NH1 ARG A 434 -16.358 32.441 -10.961 1.00 39.99 N ATOM 1127 NH2 ARG A 434 -17.225 30.777 -12.285 1.00 38.84 N ATOM 1128 HE ARG A 434 -15.936 29.245 -10.817 1.00 0.00 H ATOM 1129 HH12 ARG A 434 -16.864 33.153 -11.526 1.00 0.00 H ATOM 1130 HH11 ARG A 434 -15.766 32.738 -10.159 1.00 0.00 H ATOM 1131 HH22 ARG A 434 -17.731 31.490 -12.849 1.00 0.00 H ATOM 1132 HH21 ARG A 434 -17.313 29.768 -12.522 1.00 0.00 H ATOM 1133 H ARG A 434 -13.004 30.639 -5.114 1.00 0.00 H ATOM 1134 N PHE A 435 -16.277 30.128 -4.830 1.00 39.51 N ATOM 1135 CA PHE A 435 -17.575 29.939 -4.251 1.00 39.25 C ATOM 1136 C PHE A 435 -18.176 31.263 -3.898 1.00 39.59 C ATOM 1137 O PHE A 435 -19.308 31.509 -4.151 1.00 39.32 O ATOM 1138 CB PHE A 435 -17.495 29.085 -3.011 1.00 39.06 C ATOM 1139 CG PHE A 435 -17.450 27.623 -3.280 1.00 38.31 C ATOM 1140 CD1 PHE A 435 -17.079 27.140 -4.488 1.00 38.06 C ATOM 1141 CD2 PHE A 435 -17.757 26.740 -2.309 1.00 37.58 C ATOM 1142 CE1 PHE A 435 -17.020 25.807 -4.719 1.00 36.75 C ATOM 1143 CE2 PHE A 435 -17.697 25.406 -2.538 1.00 36.51 C ATOM 1144 CZ PHE A 435 -17.325 24.940 -3.739 1.00 35.69 C ATOM 1145 H PHE A 435 -15.441 29.753 -4.338 1.00 0.00 H ATOM 1146 N ARG A 436 -17.367 32.111 -3.299 1.00 37.90 N ATOM 1147 CA ARG A 436 -17.819 33.407 -2.819 1.00 39.28 C ATOM 1148 C ARG A 436 -18.166 34.337 -3.976 1.00 39.41 C ATOM 1149 O ARG A 436 -19.124 35.103 -3.895 1.00 40.76 O ATOM 1150 CB ARG A 436 -16.758 34.046 -1.925 1.00 41.10 C ATOM 1151 CG ARG A 436 -17.273 35.191 -1.075 1.00 44.34 C ATOM 1152 CD ARG A 436 -16.150 35.825 -0.274 1.00 47.27 C ATOM 1153 NE ARG A 436 -15.320 34.811 0.369 1.00 48.53 N ATOM 1154 CZ ARG A 436 -14.041 34.594 0.078 1.00 48.83 C ATOM 1155 NH1 ARG A 436 -13.434 35.335 -0.839 1.00 49.16 N ATOM 1156 NH2 ARG A 436 -13.368 33.641 0.711 1.00 48.16 N ATOM 1157 HE ARG A 436 -15.758 34.219 1.103 1.00 0.00 H ATOM 1158 HH12 ARG A 436 -12.433 35.165 -1.066 1.00 0.00 H ATOM 1159 HH11 ARG A 436 -13.958 36.086 -1.331 1.00 0.00 H ATOM 1160 HH22 ARG A 436 -12.368 33.472 0.483 1.00 0.00 H ATOM 1161 HH21 ARG A 436 -13.841 33.064 1.435 1.00 0.00 H ATOM 1162 H ARG A 436 -16.371 31.845 -3.164 1.00 0.00 H ATOM 1163 N MET A 437 -17.393 34.271 -5.053 1.00 39.22 N ATOM 1164 CA MET A 437 -17.714 35.048 -6.242 1.00 40.24 C ATOM 1165 C MET A 437 -19.017 34.545 -6.861 1.00 41.07 C ATOM 1166 O MET A 437 -19.871 35.342 -7.247 1.00 42.67 O ATOM 1167 CB MET A 437 -16.578 34.991 -7.261 1.00 39.76 C ATOM 1168 H MET A 437 -16.552 33.660 -5.048 1.00 0.00 H ATOM 1169 N MET A 438 -19.170 33.223 -6.943 1.00 40.37 N ATOM 1170 CA MET A 438 -20.381 32.618 -7.500 1.00 39.45 C ATOM 1171 C MET A 438 -21.583 32.774 -6.581 1.00 39.79 C ATOM 1172 O MET A 438 -22.727 32.684 -7.026 1.00 40.77 O ATOM 1173 CB MET A 438 -20.174 31.129 -7.778 1.00 38.16 C ATOM 1174 CG MET A 438 -19.300 30.813 -8.968 1.00 38.48 C ATOM 1175 SD MET A 438 -19.411 29.062 -9.383 1.00 42.68 S ATOM 1176 CE MET A 438 -21.066 28.999 -10.064 1.00 38.76 C ATOM 1177 H MET A 438 -18.407 32.604 -6.601 1.00 0.00 H ATOM 1178 N ASN A 439 -21.308 32.993 -5.298 1.00 40.64 N ATOM 1179 CA ASN A 439 -22.329 32.994 -4.258 1.00 39.61 C ATOM 1180 C ASN A 439 -23.035 31.638 -4.185 1.00 37.78 C ATOM 1181 O ASN A 439 -24.267 31.555 -4.239 1.00 36.88 O ATOM 1182 CB ASN A 439 -23.340 34.123 -4.480 1.00 40.46 C ATOM 1183 CG ASN A 439 -24.248 34.332 -3.288 1.00 42.84 C ATOM 1184 OD1 ASN A 439 -24.064 33.714 -2.236 1.00 43.39 O ATOM 1185 ND2 ASN A 439 -25.231 35.207 -3.442 1.00 43.66 N ATOM 1186 HD22 ASN A 439 -25.347 35.704 -4.348 1.00 0.00 H ATOM 1187 HD21 ASN A 439 -25.886 35.396 -2.657 1.00 0.00 H ATOM 1188 H ASN A 439 -20.320 33.171 -5.025 1.00 0.00 H ATOM 1189 N LEU A 440 -22.237 30.579 -4.062 1.00 37.25 N ATOM 1190 CA LEU A 440 -22.757 29.225 -3.909 1.00 37.10 C ATOM 1191 C LEU A 440 -23.741 29.156 -2.750 1.00 38.98 C ATOM 1192 O LEU A 440 -23.489 29.706 -1.676 1.00 40.66 O ATOM 1193 CB LEU A 440 -21.620 28.223 -3.687 1.00 35.62 C ATOM 1194 CG LEU A 440 -22.053 26.755 -3.620 1.00 34.40 C ATOM 1195 CD1 LEU A 440 -22.284 26.190 -5.007 1.00 33.09 C ATOM 1196 CD2 LEU A 440 -21.053 25.911 -2.864 1.00 33.50 C ATOM 1197 H LEU A 440 -21.207 30.722 -4.076 1.00 0.00 H ATOM 1198 N GLN A 441 -24.867 28.491 -2.986 1.00 37.19 N ATOM 1199 CA GLN A 441 -25.882 28.291 -1.961 1.00 36.85 C ATOM 1200 C GLN A 441 -25.718 26.918 -1.307 1.00 36.98 C ATOM 1201 O GLN A 441 -25.171 26.000 -1.915 1.00 36.44 O ATOM 1202 CB GLN A 441 -27.279 28.429 -2.568 1.00 35.69 C ATOM 1203 CG GLN A 441 -27.495 29.725 -3.339 1.00 35.49 C ATOM 1204 CD GLN A 441 -27.565 30.940 -2.431 1.00 37.11 C ATOM 1205 OE1 GLN A 441 -28.586 31.195 -1.795 1.00 37.90 O ATOM 1206 NE2 GLN A 441 -26.471 31.691 -2.362 1.00 37.33 N ATOM 1207 HE22 GLN A 441 -25.630 31.437 -2.918 1.00 0.00 H ATOM 1208 HE21 GLN A 441 -26.456 32.533 -1.752 1.00 0.00 H ATOM 1209 H GLN A 441 -25.029 28.100 -3.936 1.00 0.00 H ATOM 1210 N GLY A 442 -26.186 26.787 -0.067 1.00 36.88 N ATOM 1211 CA GLY A 442 -26.128 25.524 0.648 1.00 35.83 C ATOM 1212 C GLY A 442 -26.779 24.390 -0.119 1.00 35.92 C ATOM 1213 O GLY A 442 -26.235 23.286 -0.188 1.00 36.22 O ATOM 1214 H GLY A 442 -26.606 27.614 0.404 1.00 0.00 H ATOM 1215 N GLU A 443 -27.948 24.667 -0.696 1.00 35.48 N ATOM 1216 CA GLU A 443 -28.661 23.692 -1.517 1.00 34.96 C ATOM 1217 C GLU A 443 -27.777 23.201 -2.651 1.00 34.26 C ATOM 1218 O GLU A 443 -27.698 22.002 -2.915 1.00 35.48 O ATOM 1219 CB GLU A 443 -29.949 24.292 -2.096 1.00 35.79 C ATOM 1220 CG GLU A 443 -30.993 24.695 -1.073 1.00 38.10 C ATOM 1221 CD GLU A 443 -30.788 26.101 -0.540 1.00 41.30 C ATOM 1222 OE1 GLU A 443 -29.763 26.731 -0.881 1.00 42.53 O ATOM 1223 OE2 GLU A 443 -31.656 26.578 0.217 1.00 42.80 O ATOM 1224 H GLU A 443 -28.366 25.609 -0.557 1.00 0.00 H ATOM 1225 N GLU A 444 -27.120 24.145 -3.324 1.00 32.36 N ATOM 1226 CA GLU A 444 -26.224 23.828 -4.425 1.00 32.38 C ATOM 1227 C GLU A 444 -25.061 22.971 -3.947 1.00 31.53 C ATOM 1228 O GLU A 444 -24.664 22.012 -4.611 1.00 31.25 O ATOM 1229 CB GLU A 444 -25.707 25.115 -5.076 1.00 34.11 C ATOM 1230 CG GLU A 444 -26.799 25.979 -5.692 1.00 36.11 C ATOM 1231 CD GLU A 444 -26.264 27.251 -6.319 1.00 37.69 C ATOM 1232 OE1 GLU A 444 -25.511 27.976 -5.637 1.00 37.90 O ATOM 1233 OE2 GLU A 444 -26.595 27.524 -7.493 1.00 38.85 O ATOM 1234 H GLU A 444 -27.252 25.140 -3.053 1.00 0.00 H ATOM 1235 N PHE A 445 -24.533 23.317 -2.778 1.00 33.83 N ATOM 1236 CA PHE A 445 -23.369 22.649 -2.199 1.00 32.74 C ATOM 1237 C PHE A 445 -23.608 21.166 -1.916 1.00 31.73 C ATOM 1238 O PHE A 445 -22.813 20.323 -2.331 1.00 32.12 O ATOM 1239 CB PHE A 445 -22.950 23.379 -0.913 1.00 32.09 C ATOM 1240 CG PHE A 445 -22.219 22.515 0.074 1.00 32.30 C ATOM 1241 CD1 PHE A 445 -20.869 22.233 -0.087 1.00 31.78 C ATOM 1242 CD2 PHE A 445 -22.876 22.006 1.184 1.00 33.20 C ATOM 1243 CE1 PHE A 445 -20.197 21.446 0.829 1.00 31.76 C ATOM 1244 CE2 PHE A 445 -22.211 21.220 2.104 1.00 32.88 C ATOM 1245 CZ PHE A 445 -20.870 20.940 1.928 1.00 32.42 C ATOM 1246 H PHE A 445 -24.968 24.100 -2.250 1.00 0.00 H ATOM 1247 N VAL A 446 -24.693 20.844 -1.214 1.00 31.44 N ATOM 1248 CA VAL A 446 -24.942 19.456 -0.835 1.00 31.29 C ATOM 1249 C VAL A 446 -25.178 18.596 -2.076 1.00 31.40 C ATOM 1250 O VAL A 446 -24.891 17.398 -2.068 1.00 31.17 O ATOM 1251 CB VAL A 446 -26.136 19.310 0.143 1.00 31.03 C ATOM 1252 CG1 VAL A 446 -25.909 20.157 1.383 1.00 32.83 C ATOM 1253 CG2 VAL A 446 -27.454 19.677 -0.520 1.00 31.31 C ATOM 1254 H VAL A 446 -25.367 21.585 -0.934 1.00 0.00 H ATOM 1255 N CYS A 447 -25.683 19.217 -3.141 1.00 31.08 N ATOM 1256 CA CYS A 447 -25.824 18.542 -4.426 1.00 29.83 C ATOM 1257 C CYS A 447 -24.445 18.202 -4.996 1.00 28.93 C ATOM 1258 O CYS A 447 -24.198 17.069 -5.408 1.00 28.33 O ATOM 1259 CB CYS A 447 -26.617 19.403 -5.417 1.00 29.91 C ATOM 1260 SG CYS A 447 -28.445 19.385 -5.209 1.00 34.30 S ATOM 1261 H CYS A 447 -25.984 20.209 -3.054 1.00 0.00 H ATOM 1262 N LEU A 448 -23.547 19.181 -5.007 1.00 28.95 N ATOM 1263 CA LEU A 448 -22.194 18.960 -5.511 1.00 30.02 C ATOM 1264 C LEU A 448 -21.451 17.911 -4.688 1.00 30.68 C ATOM 1265 O LEU A 448 -20.730 17.080 -5.243 1.00 31.93 O ATOM 1266 CB LEU A 448 -21.396 20.264 -5.530 1.00 29.58 C ATOM 1267 CG LEU A 448 -21.668 21.213 -6.696 1.00 30.29 C ATOM 1268 CD1 LEU A 448 -20.763 22.426 -6.602 1.00 30.66 C ATOM 1269 CD2 LEU A 448 -21.475 20.501 -8.029 1.00 29.77 C ATOM 1270 H LEU A 448 -23.812 20.121 -4.650 1.00 0.00 H ATOM 1271 N LYS A 449 -21.629 17.947 -3.369 1.00 30.05 N ATOM 1272 CA LYS A 449 -20.991 16.959 -2.506 1.00 29.26 C ATOM 1273 C LYS A 449 -21.488 15.563 -2.855 1.00 27.26 C ATOM 1274 O LYS A 449 -20.701 14.622 -2.957 1.00 26.77 O ATOM 1275 CB LYS A 449 -21.245 17.266 -1.030 1.00 30.51 C ATOM 1276 CG LYS A 449 -20.427 16.398 -0.082 1.00 31.62 C ATOM 1277 CD LYS A 449 -20.294 17.017 1.315 1.00 32.48 C ATOM 1278 CE LYS A 449 -21.628 17.082 2.038 1.00 33.48 C ATOM 1279 NZ LYS A 449 -21.470 17.231 3.519 1.00 34.96 N ATOM 1280 HZ1 LYS A 449 -20.941 16.418 3.894 1.00 0.00 H ATOM 1281 HZ2 LYS A 449 -20.950 18.108 3.724 1.00 0.00 H ATOM 1282 HZ3 LYS A 449 -22.409 17.270 3.964 1.00 0.00 H ATOM 1283 H LYS A 449 -22.228 18.686 -2.950 1.00 0.00 H ATOM 1284 N SER A 450 -22.795 15.434 -3.062 1.00 27.29 N ATOM 1285 CA SER A 450 -23.369 14.146 -3.428 1.00 29.47 C ATOM 1286 C SER A 450 -22.963 13.707 -4.833 1.00 28.85 C ATOM 1287 O SER A 450 -22.801 12.511 -5.087 1.00 29.55 O ATOM 1288 CB SER A 450 -24.893 14.184 -3.309 1.00 31.67 C ATOM 1289 OG SER A 450 -25.285 14.016 -1.959 1.00 33.28 O ATOM 1290 HG SER A 450 -26.273 14.043 -1.898 1.00 0.00 H ATOM 1291 H SER A 450 -23.415 16.263 -2.961 1.00 0.00 H ATOM 1292 N ILE A 451 -22.798 14.665 -5.744 1.00 27.10 N ATOM 1293 CA ILE A 451 -22.308 14.345 -7.081 1.00 27.20 C ATOM 1294 C ILE A 451 -20.895 13.766 -7.008 1.00 28.30 C ATOM 1295 O ILE A 451 -20.591 12.754 -7.639 1.00 30.48 O ATOM 1296 CB ILE A 451 -22.319 15.579 -8.001 1.00 27.21 C ATOM 1297 CG1 ILE A 451 -23.745 15.882 -8.460 1.00 27.70 C ATOM 1298 CG2 ILE A 451 -21.458 15.330 -9.217 1.00 26.53 C ATOM 1299 CD1 ILE A 451 -23.852 17.002 -9.478 1.00 25.61 C ATOM 1300 H ILE A 451 -23.021 15.651 -5.500 1.00 0.00 H ATOM 1301 N ILE A 452 -20.043 14.404 -6.218 1.00 29.38 N ATOM 1302 CA ILE A 452 -18.683 13.921 -5.987 1.00 28.92 C ATOM 1303 C ILE A 452 -18.643 12.455 -5.535 1.00 28.53 C ATOM 1304 O ILE A 452 -17.869 11.659 -6.061 1.00 29.47 O ATOM 1305 CB ILE A 452 -17.970 14.810 -4.945 1.00 28.27 C ATOM 1306 CG1 ILE A 452 -17.519 16.114 -5.606 1.00 27.50 C ATOM 1307 CG2 ILE A 452 -16.790 14.078 -4.315 1.00 28.40 C ATOM 1308 CD1 ILE A 452 -17.114 17.196 -4.630 1.00 26.96 C ATOM 1309 H ILE A 452 -20.353 15.278 -5.747 1.00 0.00 H ATOM 1310 N LEU A 453 -19.494 12.105 -4.577 1.00 27.39 N ATOM 1311 CA LEU A 453 -19.560 10.749 -4.040 1.00 28.54 C ATOM 1312 C LEU A 453 -19.874 9.713 -5.119 1.00 31.09 C ATOM 1313 O LEU A 453 -19.211 8.675 -5.224 1.00 32.00 O ATOM 1314 CB LEU A 453 -20.617 10.680 -2.931 1.00 29.36 C ATOM 1315 CG LEU A 453 -20.841 9.335 -2.233 1.00 30.18 C ATOM 1316 CD1 LEU A 453 -19.596 8.900 -1.474 1.00 30.10 C ATOM 1317 CD2 LEU A 453 -22.030 9.416 -1.298 1.00 30.43 C ATOM 1318 H LEU A 453 -20.139 12.826 -4.194 1.00 0.00 H ATOM 1319 N LEU A 454 -20.891 10.005 -5.920 1.00 29.84 N ATOM 1320 CA LEU A 454 -21.344 9.076 -6.943 1.00 30.28 C ATOM 1321 C LEU A 454 -20.441 9.093 -8.172 1.00 31.40 C ATOM 1322 O LEU A 454 -20.229 8.057 -8.801 1.00 31.09 O ATOM 1323 CB LEU A 454 -22.787 9.398 -7.339 1.00 29.87 C ATOM 1324 CG LEU A 454 -23.777 9.181 -6.187 1.00 30.70 C ATOM 1325 CD1 LEU A 454 -24.916 10.178 -6.241 1.00 32.11 C ATOM 1326 CD2 LEU A 454 -24.314 7.759 -6.199 1.00 29.71 C ATOM 1327 H LEU A 454 -21.375 10.919 -5.814 1.00 0.00 H ATOM 1328 N ASN A 455 -19.891 10.258 -8.503 1.00 32.17 N ATOM 1329 CA ASN A 455 -19.154 10.396 -9.756 1.00 32.72 C ATOM 1330 C ASN A 455 -17.691 9.948 -9.735 1.00 33.61 C ATOM 1331 O ASN A 455 -17.231 9.307 -10.680 1.00 34.66 O ATOM 1332 CB ASN A 455 -19.196 11.845 -10.239 1.00 32.13 C ATOM 1333 CG ASN A 455 -18.449 12.036 -11.541 1.00 32.64 C ATOM 1334 OD1 ASN A 455 -18.881 11.558 -12.591 1.00 31.50 O ATOM 1335 ND2 ASN A 455 -17.312 12.729 -11.480 1.00 33.02 N ATOM 1336 HD22 ASN A 455 -16.986 13.114 -10.571 1.00 0.00 H ATOM 1337 HD21 ASN A 455 -16.751 12.884 -12.342 1.00 0.00 H ATOM 1338 H ASN A 455 -19.986 11.075 -7.866 1.00 0.00 H ATOM 1339 N SER A 456 -16.964 10.287 -8.676 1.00 32.18 N ATOM 1340 CA SER A 456 -15.503 10.189 -8.708 1.00 33.64 C ATOM 1341 C SER A 456 -14.949 8.790 -8.978 1.00 35.05 C ATOM 1342 O SER A 456 -13.893 8.658 -9.587 1.00 36.13 O ATOM 1343 CB SER A 456 -14.911 10.716 -7.401 1.00 34.18 C ATOM 1344 OG SER A 456 -14.911 12.132 -7.399 1.00 34.82 O ATOM 1345 HG SER A 456 -14.526 12.460 -6.548 1.00 0.00 H ATOM 1346 H SER A 456 -17.438 10.626 -7.814 1.00 0.00 H ATOM 1347 N GLY A 457 -15.653 7.752 -8.540 1.00 33.80 N ATOM 1348 CA GLY A 457 -15.133 6.406 -8.689 1.00 34.83 C ATOM 1349 C GLY A 457 -15.878 5.525 -9.671 1.00 35.96 C ATOM 1350 O GLY A 457 -15.619 4.323 -9.750 1.00 34.94 O ATOM 1351 H GLY A 457 -16.578 7.905 -8.090 1.00 0.00 H ATOM 1352 N VAL A 458 -16.796 6.113 -10.431 1.00 39.94 N ATOM 1353 CA VAL A 458 -17.668 5.321 -11.290 1.00 40.70 C ATOM 1354 C VAL A 458 -16.927 4.816 -12.536 1.00 41.08 C ATOM 1355 O VAL A 458 -17.298 3.793 -13.110 1.00 40.69 O ATOM 1356 CB VAL A 458 -18.936 6.123 -11.696 1.00 39.39 C ATOM 1357 CG1 VAL A 458 -18.593 7.235 -12.683 1.00 39.74 C ATOM 1358 CG2 VAL A 458 -20.000 5.196 -12.272 1.00 38.92 C ATOM 1359 H VAL A 458 -16.893 7.148 -10.413 1.00 0.00 H ATOM 1360 N TYR A 459 -15.858 5.506 -12.930 1.00 40.41 N ATOM 1361 CA TYR A 459 -15.101 5.110 -14.118 1.00 42.09 C ATOM 1362 C TYR A 459 -13.890 4.236 -13.783 1.00 42.82 C ATOM 1363 O TYR A 459 -13.811 3.642 -12.706 1.00 42.94 O ATOM 1364 CB TYR A 459 -14.649 6.349 -14.892 1.00 42.38 C ATOM 1365 H TYR A 459 -15.557 6.339 -12.385 1.00 0.00 H TER 1366 TYR A 459 ATOM 1367 N LEU A 466 -21.271 -7.377 -16.790 1.00 44.55 N ATOM 1368 CA LEU A 466 -22.549 -7.164 -17.462 1.00 46.01 C ATOM 1369 C LEU A 466 -23.634 -6.672 -16.495 1.00 47.33 C ATOM 1370 O LEU A 466 -24.395 -5.764 -16.819 1.00 46.64 O ATOM 1371 CB LEU A 466 -23.015 -8.433 -18.172 1.00 46.15 C ATOM 1372 CG LEU A 466 -24.243 -8.281 -19.072 1.00 45.53 C ATOM 1373 CD1 LEU A 466 -24.174 -9.212 -20.272 1.00 46.05 C ATOM 1374 CD2 LEU A 466 -25.525 -8.536 -18.296 1.00 46.42 C ATOM 1375 HN3 LEU A 466 -21.388 -8.091 -16.043 1.00 0.00 H ATOM 1376 HN2 LEU A 466 -20.949 -6.482 -16.369 1.00 0.00 H ATOM 1377 HN1 LEU A 466 -20.568 -7.709 -17.481 1.00 0.00 H ATOM 1378 N LYS A 467 -23.732 -7.300 -15.331 1.00 49.97 N ATOM 1379 CA LYS A 467 -24.566 -6.758 -14.265 1.00 48.86 C ATOM 1380 C LYS A 467 -23.885 -5.498 -13.743 1.00 47.76 C ATOM 1381 O LYS A 467 -24.536 -4.580 -13.246 1.00 46.86 O ATOM 1382 CB LYS A 467 -24.781 -7.769 -13.144 1.00 48.91 C ATOM 1383 H LYS A 467 -23.210 -8.186 -15.177 1.00 0.00 H ATOM 1384 N SER A 468 -22.560 -5.481 -13.867 1.00 46.91 N ATOM 1385 CA SER A 468 -21.766 -4.297 -13.579 1.00 47.55 C ATOM 1386 C SER A 468 -22.331 -3.103 -14.335 1.00 48.01 C ATOM 1387 O SER A 468 -22.360 -1.983 -13.826 1.00 47.70 O ATOM 1388 CB SER A 468 -20.304 -4.516 -13.966 1.00 47.97 C ATOM 1389 OG SER A 468 -20.174 -4.592 -15.376 1.00 49.43 O ATOM 1390 HG SER A 468 -19.223 -4.734 -15.611 1.00 0.00 H ATOM 1391 H SER A 468 -22.075 -6.346 -14.181 1.00 0.00 H ATOM 1392 N LEU A 469 -22.781 -3.363 -15.560 1.00 47.21 N ATOM 1393 CA LEU A 469 -23.439 -2.347 -16.365 1.00 46.65 C ATOM 1394 C LEU A 469 -24.688 -1.839 -15.658 1.00 46.50 C ATOM 1395 O LEU A 469 -24.893 -0.634 -15.547 1.00 46.55 O ATOM 1396 CB LEU A 469 -23.796 -2.893 -17.748 1.00 47.30 C ATOM 1397 CG LEU A 469 -22.632 -3.142 -18.710 1.00 47.92 C ATOM 1398 CD1 LEU A 469 -23.021 -4.165 -19.765 1.00 49.22 C ATOM 1399 CD2 LEU A 469 -22.205 -1.839 -19.365 1.00 47.13 C ATOM 1400 H LEU A 469 -22.659 -4.319 -15.952 1.00 0.00 H ATOM 1401 N GLU A 470 -25.510 -2.761 -15.166 1.00 45.93 N ATOM 1402 CA GLU A 470 -26.771 -2.399 -14.522 1.00 47.16 C ATOM 1403 C GLU A 470 -26.542 -1.504 -13.305 1.00 47.15 C ATOM 1404 O GLU A 470 -27.373 -0.659 -12.977 1.00 46.77 O ATOM 1405 CB GLU A 470 -27.547 -3.654 -14.114 1.00 47.47 C ATOM 1406 H GLU A 470 -25.249 -3.765 -15.241 1.00 0.00 H ATOM 1407 N GLU A 471 -25.407 -1.688 -12.644 1.00 47.97 N ATOM 1408 CA GLU A 471 -25.079 -0.895 -11.470 1.00 47.43 C ATOM 1409 C GLU A 471 -24.647 0.506 -11.871 1.00 45.22 C ATOM 1410 O GLU A 471 -25.060 1.492 -11.263 1.00 44.71 O ATOM 1411 CB GLU A 471 -23.979 -1.566 -10.655 1.00 49.33 C ATOM 1412 CG GLU A 471 -24.263 -1.592 -9.174 1.00 51.76 C ATOM 1413 CD GLU A 471 -25.259 -2.666 -8.815 1.00 54.42 C ATOM 1414 OE1 GLU A 471 -25.190 -3.754 -9.426 1.00 55.86 O ATOM 1415 OE2 GLU A 471 -26.109 -2.421 -7.933 1.00 55.08 O ATOM 1416 H GLU A 471 -24.738 -2.414 -12.972 1.00 0.00 H ATOM 1417 N LYS A 472 -23.798 0.577 -12.891 1.00 44.34 N ATOM 1418 CA LYS A 472 -23.361 1.848 -13.452 1.00 44.68 C ATOM 1419 C LYS A 472 -24.549 2.705 -13.870 1.00 43.50 C ATOM 1420 O LYS A 472 -24.600 3.900 -13.574 1.00 43.22 O ATOM 1421 CB LYS A 472 -22.456 1.617 -14.653 1.00 47.18 C ATOM 1422 CG LYS A 472 -21.036 2.072 -14.464 1.00 48.98 C ATOM 1423 CD LYS A 472 -20.336 2.143 -15.806 1.00 51.18 C ATOM 1424 CE LYS A 472 -18.838 2.241 -15.632 1.00 53.04 C ATOM 1425 NZ LYS A 472 -18.239 3.155 -16.642 1.00 54.39 N ATOM 1426 HZ1 LYS A 472 -18.440 2.795 -17.597 1.00 0.00 H ATOM 1427 HZ2 LYS A 472 -18.649 4.105 -16.535 1.00 0.00 H ATOM 1428 HZ3 LYS A 472 -17.210 3.202 -16.498 1.00 0.00 H ATOM 1429 H LYS A 472 -23.433 -0.306 -13.303 1.00 0.00 H ATOM 1430 N ASP A 473 -25.488 2.076 -14.571 1.00 42.79 N ATOM 1431 CA ASP A 473 -26.708 2.739 -15.018 1.00 42.16 C ATOM 1432 C ASP A 473 -27.406 3.455 -13.861 1.00 39.34 C ATOM 1433 O ASP A 473 -27.748 4.629 -13.964 1.00 38.27 O ATOM 1434 CB ASP A 473 -27.666 1.729 -15.651 1.00 44.74 C ATOM 1435 CG ASP A 473 -27.179 1.217 -16.994 1.00 47.40 C ATOM 1436 OD1 ASP A 473 -25.952 1.176 -17.222 1.00 48.20 O ATOM 1437 OD2 ASP A 473 -28.036 0.854 -17.824 1.00 49.03 O ATOM 1438 H ASP A 473 -25.347 1.074 -14.809 1.00 0.00 H ATOM 1439 N HIS A 474 -27.594 2.720 -12.769 1.00 41.10 N ATOM 1440 CA HIS A 474 -28.255 3.227 -11.569 1.00 39.79 C ATOM 1441 C HIS A 474 -27.607 4.510 -11.058 1.00 38.89 C ATOM 1442 O HIS A 474 -28.290 5.489 -10.750 1.00 39.24 O ATOM 1443 CB HIS A 474 -28.233 2.153 -10.480 1.00 39.96 C ATOM 1444 CG HIS A 474 -28.653 2.641 -9.132 1.00 39.69 C ATOM 1445 ND1 HIS A 474 -29.972 2.844 -8.790 1.00 39.89 N ATOM 1446 CD2 HIS A 474 -27.927 2.965 -8.037 1.00 40.09 C ATOM 1447 CE1 HIS A 474 -30.042 3.270 -7.543 1.00 40.63 C ATOM 1448 NE2 HIS A 474 -28.814 3.355 -7.064 1.00 40.86 N ATOM 1449 H HIS A 474 -27.254 1.737 -12.769 1.00 0.00 H ATOM 1450 N ILE A 475 -26.281 4.489 -10.982 1.00 36.73 N ATOM 1451 CA ILE A 475 -25.498 5.639 -10.545 1.00 36.38 C ATOM 1452 C ILE A 475 -25.680 6.831 -11.476 1.00 36.45 C ATOM 1453 O ILE A 475 -25.854 7.961 -11.022 1.00 36.00 O ATOM 1454 CB ILE A 475 -24.006 5.272 -10.457 1.00 37.82 C ATOM 1455 CG1 ILE A 475 -23.771 4.343 -9.265 1.00 38.13 C ATOM 1456 CG2 ILE A 475 -23.137 6.519 -10.348 1.00 37.64 C ATOM 1457 CD1 ILE A 475 -22.416 3.679 -9.274 1.00 38.42 C ATOM 1458 H ILE A 475 -25.780 3.616 -11.245 1.00 0.00 H ATOM 1459 N HIS A 476 -25.645 6.572 -12.780 1.00 37.90 N ATOM 1460 CA HIS A 476 -25.835 7.624 -13.771 1.00 38.32 C ATOM 1461 C HIS A 476 -27.250 8.172 -13.678 1.00 35.71 C ATOM 1462 O HIS A 476 -27.493 9.343 -13.964 1.00 35.60 O ATOM 1463 CB HIS A 476 -25.557 7.105 -15.186 1.00 41.40 C ATOM 1464 CG HIS A 476 -24.106 6.862 -15.469 1.00 44.41 C ATOM 1465 ND1 HIS A 476 -23.108 7.710 -15.035 1.00 44.36 N ATOM 1466 CD2 HIS A 476 -23.484 5.866 -16.143 1.00 46.15 C ATOM 1467 CE1 HIS A 476 -21.936 7.246 -15.429 1.00 44.95 C ATOM 1468 NE2 HIS A 476 -22.136 6.127 -16.103 1.00 46.14 N ATOM 1469 H HIS A 476 -25.478 5.597 -13.100 1.00 0.00 H ATOM 1470 N ARG A 477 -28.181 7.316 -13.275 1.00 34.31 N ATOM 1471 CA ARG A 477 -29.567 7.729 -13.098 1.00 34.90 C ATOM 1472 C ARG A 477 -29.684 8.689 -11.921 1.00 33.76 C ATOM 1473 O ARG A 477 -30.290 9.754 -12.038 1.00 33.05 O ATOM 1474 CB ARG A 477 -30.476 6.516 -12.887 1.00 36.48 C ATOM 1475 H ARG A 477 -27.915 6.329 -13.081 1.00 0.00 H ATOM 1476 N VAL A 478 -29.098 8.307 -10.791 1.00 35.68 N ATOM 1477 CA VAL A 478 -29.081 9.160 -9.609 1.00 34.70 C ATOM 1478 C VAL A 478 -28.387 10.479 -9.918 1.00 33.72 C ATOM 1479 O VAL A 478 -28.883 11.551 -9.572 1.00 33.70 O ATOM 1480 CB VAL A 478 -28.369 8.484 -8.422 1.00 33.51 C ATOM 1481 CG1 VAL A 478 -28.337 9.417 -7.225 1.00 32.99 C ATOM 1482 CG2 VAL A 478 -29.052 7.174 -8.070 1.00 33.07 C ATOM 1483 H VAL A 478 -28.639 7.375 -10.749 1.00 0.00 H ATOM 1484 N LEU A 479 -27.238 10.390 -10.581 1.00 32.99 N ATOM 1485 CA LEU A 479 -26.506 11.577 -10.995 1.00 33.08 C ATOM 1486 C LEU A 479 -27.406 12.492 -11.826 1.00 33.13 C ATOM 1487 O LEU A 479 -27.455 13.697 -11.585 1.00 34.30 O ATOM 1488 CB LEU A 479 -25.244 11.188 -11.775 1.00 32.86 C ATOM 1489 CG LEU A 479 -24.019 10.854 -10.914 1.00 32.95 C ATOM 1490 CD1 LEU A 479 -22.920 10.184 -11.722 1.00 32.12 C ATOM 1491 CD2 LEU A 479 -23.486 12.118 -10.248 1.00 33.63 C ATOM 1492 H LEU A 479 -26.854 9.451 -10.809 1.00 0.00 H ATOM 1493 N ASP A 480 -28.137 11.917 -12.777 1.00 30.22 N ATOM 1494 CA ASP A 480 -29.077 12.691 -13.584 1.00 32.47 C ATOM 1495 C ASP A 480 -30.141 13.374 -12.721 1.00 33.60 C ATOM 1496 O ASP A 480 -30.594 14.472 -13.037 1.00 34.22 O ATOM 1497 CB ASP A 480 -29.753 11.805 -14.636 1.00 32.92 C ATOM 1498 CG ASP A 480 -28.858 11.528 -15.831 1.00 33.67 C ATOM 1499 OD1 ASP A 480 -27.982 12.367 -16.127 1.00 33.10 O ATOM 1500 OD2 ASP A 480 -29.030 10.474 -16.478 1.00 35.47 O ATOM 1501 H ASP A 480 -28.037 10.896 -12.949 1.00 0.00 H ATOM 1502 N LYS A 481 -30.531 12.730 -11.627 1.00 33.70 N ATOM 1503 CA LYS A 481 -31.542 13.304 -10.747 1.00 34.28 C ATOM 1504 C LYS A 481 -30.997 14.520 -10.002 1.00 32.65 C ATOM 1505 O LYS A 481 -31.707 15.506 -9.808 1.00 34.53 O ATOM 1506 CB LYS A 481 -32.057 12.257 -9.752 1.00 35.23 C ATOM 1507 CG LYS A 481 -33.192 12.747 -8.860 1.00 36.80 C ATOM 1508 CD LYS A 481 -34.432 13.110 -9.671 1.00 40.05 C ATOM 1509 CE LYS A 481 -35.145 11.869 -10.193 1.00 42.20 C ATOM 1510 NZ LYS A 481 -36.253 12.198 -11.142 1.00 43.33 N ATOM 1511 HZ1 LYS A 481 -36.957 12.792 -10.659 1.00 0.00 H ATOM 1512 HZ2 LYS A 481 -35.867 12.712 -11.959 1.00 0.00 H ATOM 1513 HZ3 LYS A 481 -36.703 11.318 -11.466 1.00 0.00 H ATOM 1514 H LYS A 481 -30.111 11.807 -11.396 1.00 0.00 H ATOM 1515 N ILE A 482 -29.734 14.457 -9.592 1.00 30.91 N ATOM 1516 CA ILE A 482 -29.119 15.576 -8.892 1.00 26.46 C ATOM 1517 C ILE A 482 -28.908 16.749 -9.846 1.00 31.55 C ATOM 1518 O ILE A 482 -29.001 17.913 -9.445 1.00 31.72 O ATOM 1519 CB ILE A 482 -27.783 15.170 -8.248 1.00 29.16 C ATOM 1520 CG1 ILE A 482 -28.004 13.997 -7.289 1.00 29.11 C ATOM 1521 CG2 ILE A 482 -27.163 16.347 -7.500 1.00 28.96 C ATOM 1522 CD1 ILE A 482 -26.737 13.329 -6.847 1.00 29.54 C ATOM 1523 H ILE A 482 -29.178 13.597 -9.774 1.00 0.00 H ATOM 1524 N THR A 483 -28.642 16.450 -11.113 1.00 30.93 N ATOM 1525 CA THR A 483 -28.521 17.513 -12.104 1.00 31.90 C ATOM 1526 C THR A 483 -29.864 18.235 -12.288 1.00 33.51 C ATOM 1527 O THR A 483 -29.913 19.465 -12.364 1.00 34.52 O ATOM 1528 CB THR A 483 -28.038 16.985 -13.468 1.00 30.54 C ATOM 1529 OG1 THR A 483 -26.806 16.269 -13.302 1.00 28.38 O ATOM 1530 CG2 THR A 483 -27.825 18.143 -14.426 1.00 30.21 C ATOM 1531 HG1 THR A 483 -26.500 15.932 -14.181 1.00 0.00 H ATOM 1532 H THR A 483 -28.520 15.457 -11.398 1.00 0.00 H ATOM 1533 N ASP A 484 -30.950 17.471 -12.351 1.00 31.75 N ATOM 1534 CA ASP A 484 -32.282 18.067 -12.424 1.00 32.40 C ATOM 1535 C ASP A 484 -32.545 18.942 -11.196 1.00 32.36 C ATOM 1536 O ASP A 484 -33.097 20.041 -11.304 1.00 32.11 O ATOM 1537 CB ASP A 484 -33.362 16.983 -12.539 1.00 32.27 C ATOM 1538 CG ASP A 484 -33.221 16.140 -13.796 1.00 32.63 C ATOM 1539 OD1 ASP A 484 -32.411 16.501 -14.677 1.00 32.11 O ATOM 1540 OD2 ASP A 484 -33.931 15.120 -13.908 1.00 33.43 O ATOM 1541 H ASP A 484 -30.850 16.436 -12.348 1.00 0.00 H ATOM 1542 N THR A 485 -32.129 18.450 -10.034 1.00 33.01 N ATOM 1543 CA THR A 485 -32.310 19.160 -8.776 1.00 31.82 C ATOM 1544 C THR A 485 -31.581 20.502 -8.788 1.00 31.57 C ATOM 1545 O THR A 485 -32.136 21.522 -8.376 1.00 32.63 O ATOM 1546 CB THR A 485 -31.810 18.319 -7.584 1.00 31.11 C ATOM 1547 OG1 THR A 485 -32.343 16.990 -7.674 1.00 31.55 O ATOM 1548 CG2 THR A 485 -32.245 18.942 -6.278 1.00 30.91 C ATOM 1549 HG1 THR A 485 -32.044 16.572 -8.520 1.00 0.00 H ATOM 1550 H THR A 485 -31.657 17.524 -10.023 1.00 0.00 H ATOM 1551 N LEU A 486 -30.338 20.495 -9.266 1.00 27.50 N ATOM 1552 CA LEU A 486 -29.540 21.716 -9.357 1.00 27.52 C ATOM 1553 C LEU A 486 -30.187 22.727 -10.289 1.00 32.47 C ATOM 1554 O LEU A 486 -30.184 23.928 -10.025 1.00 32.89 O ATOM 1555 CB LEU A 486 -28.125 21.404 -9.847 1.00 31.48 C ATOM 1556 CG LEU A 486 -27.075 20.970 -8.830 1.00 30.72 C ATOM 1557 CD1 LEU A 486 -25.771 20.625 -9.557 1.00 29.68 C ATOM 1558 CD2 LEU A 486 -26.856 22.067 -7.800 1.00 29.98 C ATOM 1559 H LEU A 486 -29.924 19.595 -9.583 1.00 0.00 H ATOM 1560 N ILE A 487 -30.734 22.227 -11.388 1.00 33.50 N ATOM 1561 CA ILE A 487 -31.400 23.076 -12.366 1.00 33.51 C ATOM 1562 C ILE A 487 -32.705 23.624 -11.800 1.00 34.15 C ATOM 1563 O ILE A 487 -33.027 24.798 -11.985 1.00 35.86 O ATOM 1564 CB ILE A 487 -31.666 22.305 -13.672 1.00 31.66 C ATOM 1565 CG1 ILE A 487 -30.343 22.055 -14.397 1.00 30.28 C ATOM 1566 CG2 ILE A 487 -32.632 23.065 -14.571 1.00 31.06 C ATOM 1567 CD1 ILE A 487 -29.616 23.327 -14.764 1.00 30.58 C ATOM 1568 H ILE A 487 -30.686 21.202 -11.556 1.00 0.00 H ATOM 1569 N HIS A 488 -33.445 22.771 -11.101 1.00 31.81 N ATOM 1570 CA HIS A 488 -34.674 23.194 -10.441 1.00 30.44 C ATOM 1571 C HIS A 488 -34.410 24.347 -9.468 1.00 32.78 C ATOM 1572 O HIS A 488 -35.176 25.307 -9.412 1.00 31.64 O ATOM 1573 CB HIS A 488 -35.316 22.013 -9.711 1.00 30.35 C ATOM 1574 CG HIS A 488 -36.409 22.405 -8.767 1.00 34.81 C ATOM 1575 ND1 HIS A 488 -37.720 22.559 -9.165 1.00 35.66 N ATOM 1576 CD2 HIS A 488 -36.388 22.658 -7.437 1.00 31.33 C ATOM 1577 CE1 HIS A 488 -38.457 22.895 -8.123 1.00 36.41 C ATOM 1578 NE2 HIS A 488 -37.673 22.964 -7.062 1.00 32.33 N ATOM 1579 H HIS A 488 -33.141 21.780 -11.023 1.00 0.00 H ATOM 1580 N LEU A 489 -33.317 24.258 -8.715 1.00 33.30 N ATOM 1581 CA LEU A 489 -32.975 25.301 -7.750 1.00 32.86 C ATOM 1582 C LEU A 489 -32.684 26.628 -8.444 1.00 32.45 C ATOM 1583 O LEU A 489 -33.107 27.686 -7.979 1.00 32.74 O ATOM 1584 CB LEU A 489 -31.775 24.882 -6.909 1.00 31.81 C ATOM 1585 CG LEU A 489 -31.990 23.720 -5.940 1.00 32.94 C ATOM 1586 CD1 LEU A 489 -30.641 23.233 -5.432 1.00 31.73 C ATOM 1587 CD2 LEU A 489 -32.895 24.127 -4.777 1.00 34.15 C ATOM 1588 H LEU A 489 -32.694 23.431 -8.815 1.00 0.00 H ATOM 1589 N MET A 490 -31.970 26.564 -9.560 1.00 30.74 N ATOM 1590 CA MET A 490 -31.674 27.758 -10.341 1.00 31.22 C ATOM 1591 C MET A 490 -32.922 28.323 -11.003 1.00 32.24 C ATOM 1592 O MET A 490 -33.092 29.539 -11.078 1.00 37.82 O ATOM 1593 CB MET A 490 -30.620 27.451 -11.395 1.00 30.57 C ATOM 1594 CG MET A 490 -29.337 26.938 -10.792 1.00 31.61 C ATOM 1595 SD MET A 490 -28.177 26.327 -12.021 1.00 32.41 S ATOM 1596 CE MET A 490 -26.993 25.536 -10.940 1.00 28.05 C ATOM 1597 H MET A 490 -31.614 25.642 -9.884 1.00 0.00 H ATOM 1598 N ALA A 491 -33.788 27.438 -11.487 1.00 31.33 N ATOM 1599 CA ALA A 491 -35.048 27.862 -12.092 1.00 40.47 C ATOM 1600 C ALA A 491 -35.916 28.601 -11.076 1.00 39.99 C ATOM 1601 O ALA A 491 -36.506 29.630 -11.392 1.00 41.67 O ATOM 1602 CB ALA A 491 -35.801 26.663 -12.663 1.00 32.26 C ATOM 1603 H ALA A 491 -33.564 26.424 -11.434 1.00 0.00 H ATOM 1604 N LYS A 492 -35.978 28.079 -9.852 1.00 40.01 N ATOM 1605 CA LYS A 492 -36.789 28.690 -8.800 1.00 40.75 C ATOM 1606 C LYS A 492 -36.231 30.048 -8.388 1.00 40.99 C ATOM 1607 O LYS A 492 -36.985 30.971 -8.057 1.00 41.78 O ATOM 1608 CB LYS A 492 -36.875 27.769 -7.579 1.00 40.08 C ATOM 1609 H LYS A 492 -35.437 27.217 -9.640 1.00 0.00 H ATOM 1610 N ALA A 493 -34.906 30.165 -8.421 1.00 40.14 N ATOM 1611 CA ALA A 493 -34.229 31.413 -8.084 1.00 40.25 C ATOM 1612 C ALA A 493 -34.461 32.480 -9.154 1.00 41.92 C ATOM 1613 O ALA A 493 -34.088 33.642 -8.975 1.00 42.66 O ATOM 1614 CB ALA A 493 -32.743 31.169 -7.892 1.00 38.82 C ATOM 1615 H ALA A 493 -34.335 29.341 -8.696 1.00 0.00 H ATOM 1616 N GLY A 494 -35.076 32.079 -10.266 1.00 40.78 N ATOM 1617 CA GLY A 494 -35.430 33.007 -11.324 1.00 40.60 C ATOM 1618 C GLY A 494 -34.418 33.145 -12.449 1.00 39.26 C ATOM 1619 O GLY A 494 -34.560 34.015 -13.309 1.00 39.53 O ATOM 1620 H GLY A 494 -35.309 31.072 -10.379 1.00 0.00 H ATOM 1621 N LEU A 495 -33.395 32.297 -12.454 1.00 38.54 N ATOM 1622 CA LEU A 495 -32.375 32.347 -13.501 1.00 37.19 C ATOM 1623 C LEU A 495 -32.942 31.952 -14.866 1.00 36.19 C ATOM 1624 O LEU A 495 -33.718 31.005 -14.967 1.00 33.86 O ATOM 1625 CB LEU A 495 -31.198 31.434 -13.146 1.00 35.09 C ATOM 1626 CG LEU A 495 -30.058 32.016 -12.306 1.00 35.11 C ATOM 1627 CD1 LEU A 495 -30.548 32.509 -10.950 1.00 36.30 C ATOM 1628 CD2 LEU A 495 -28.937 30.995 -12.135 1.00 32.29 C ATOM 1629 H LEU A 495 -33.318 31.585 -11.700 1.00 0.00 H ATOM 1630 N THR A 496 -32.556 32.678 -15.914 1.00 35.24 N ATOM 1631 CA THR A 496 -32.962 32.320 -17.272 1.00 34.85 C ATOM 1632 C THR A 496 -32.367 30.967 -17.627 1.00 33.75 C ATOM 1633 O THR A 496 -31.454 30.493 -16.952 1.00 32.77 O ATOM 1634 CB THR A 496 -32.517 33.371 -18.323 1.00 35.64 C ATOM 1635 OG1 THR A 496 -31.088 33.406 -18.407 1.00 36.79 O ATOM 1636 CG2 THR A 496 -33.035 34.751 -17.965 1.00 36.83 C ATOM 1637 HG1 THR A 496 -30.713 33.649 -17.524 1.00 0.00 H ATOM 1638 H THR A 496 -31.956 33.514 -15.764 1.00 0.00 H ATOM 1639 N LEU A 497 -32.887 30.342 -18.679 1.00 34.94 N ATOM 1640 CA LEU A 497 -32.389 29.042 -19.111 1.00 34.51 C ATOM 1641 C LEU A 497 -30.902 29.098 -19.417 1.00 33.50 C ATOM 1642 O LEU A 497 -30.156 28.181 -19.077 1.00 31.54 O ATOM 1643 CB LEU A 497 -33.154 28.552 -20.336 1.00 36.01 C ATOM 1644 CG LEU A 497 -34.501 27.907 -20.024 1.00 38.26 C ATOM 1645 CD1 LEU A 497 -35.236 27.556 -21.311 1.00 38.99 C ATOM 1646 CD2 LEU A 497 -34.296 26.675 -19.152 1.00 38.10 C ATOM 1647 H LEU A 497 -33.665 30.790 -19.204 1.00 0.00 H ATOM 1648 N GLN A 498 -30.477 30.193 -20.046 1.00 31.82 N ATOM 1649 CA GLN A 498 -29.077 30.376 -20.406 1.00 34.13 C ATOM 1650 C GLN A 498 -28.206 30.452 -19.159 1.00 33.66 C ATOM 1651 O GLN A 498 -27.153 29.815 -19.089 1.00 32.66 O ATOM 1652 CB GLN A 498 -28.904 31.639 -21.252 1.00 34.24 C ATOM 1653 CG GLN A 498 -27.513 31.815 -21.824 1.00 35.43 C ATOM 1654 CD GLN A 498 -27.345 33.130 -22.558 1.00 37.90 C ATOM 1655 OE1 GLN A 498 -27.861 34.161 -22.131 1.00 40.69 O ATOM 1656 NE2 GLN A 498 -26.624 33.098 -23.670 1.00 39.10 N ATOM 1657 HE22 GLN A 498 -26.206 32.202 -23.993 1.00 0.00 H ATOM 1658 HE21 GLN A 498 -26.476 33.969 -24.219 1.00 0.00 H ATOM 1659 H GLN A 498 -31.163 30.937 -20.286 1.00 0.00 H ATOM 1660 N GLN A 499 -28.657 31.228 -18.178 1.00 32.80 N ATOM 1661 CA GLN A 499 -27.947 31.379 -16.910 1.00 33.22 C ATOM 1662 C GLN A 499 -27.949 30.076 -16.125 1.00 33.68 C ATOM 1663 O GLN A 499 -26.989 29.762 -15.423 1.00 35.28 O ATOM 1664 CB GLN A 499 -28.567 32.499 -16.071 1.00 33.59 C ATOM 1665 CG GLN A 499 -28.286 33.887 -16.607 1.00 34.58 C ATOM 1666 CD GLN A 499 -29.124 34.957 -15.937 1.00 37.95 C ATOM 1667 OE1 GLN A 499 -30.201 34.679 -15.399 1.00 39.69 O ATOM 1668 NE2 GLN A 499 -28.635 36.194 -15.969 1.00 37.93 N ATOM 1669 HE22 GLN A 499 -27.724 36.381 -16.434 1.00 0.00 H ATOM 1670 HE21 GLN A 499 -29.164 36.974 -15.529 1.00 0.00 H ATOM 1671 H GLN A 499 -29.548 31.746 -18.318 1.00 0.00 H ATOM 1672 N GLN A 500 -29.033 29.318 -16.248 1.00 31.85 N ATOM 1673 CA GLN A 500 -29.115 28.021 -15.598 1.00 31.66 C ATOM 1674 C GLN A 500 -28.049 27.069 -16.144 1.00 30.71 C ATOM 1675 O GLN A 500 -27.354 26.416 -15.370 1.00 29.50 O ATOM 1676 CB GLN A 500 -30.507 27.408 -15.765 1.00 32.98 C ATOM 1677 CG GLN A 500 -31.607 28.111 -14.979 1.00 34.84 C ATOM 1678 CD GLN A 500 -32.994 27.647 -15.391 1.00 36.83 C ATOM 1679 OE1 GLN A 500 -33.234 26.451 -15.557 1.00 38.20 O ATOM 1680 NE2 GLN A 500 -33.910 28.590 -15.572 1.00 36.72 N ATOM 1681 HE22 GLN A 500 -33.665 29.589 -15.421 1.00 0.00 H ATOM 1682 HE21 GLN A 500 -34.873 28.330 -15.865 1.00 0.00 H ATOM 1683 H GLN A 500 -29.834 29.658 -16.818 1.00 0.00 H ATOM 1684 N HIS A 501 -27.909 26.990 -17.467 1.00 28.52 N ATOM 1685 CA HIS A 501 -26.949 26.032 -18.009 1.00 28.72 C ATOM 1686 C HIS A 501 -25.515 26.547 -17.837 1.00 27.19 C ATOM 1687 O HIS A 501 -24.578 25.756 -17.730 1.00 26.94 O ATOM 1688 CB HIS A 501 -27.276 25.653 -19.478 1.00 47.03 C ATOM 1689 CG HIS A 501 -26.993 26.712 -20.507 1.00 48.34 C ATOM 1690 ND1 HIS A 501 -27.910 27.057 -21.477 1.00 48.94 N ATOM 1691 CD2 HIS A 501 -25.879 27.438 -20.776 1.00 48.02 C ATOM 1692 CE1 HIS A 501 -27.389 27.977 -22.272 1.00 48.39 C ATOM 1693 NE2 HIS A 501 -26.158 28.228 -21.867 1.00 47.92 N ATOM 1694 H HIS A 501 -28.470 27.596 -18.099 1.00 0.00 H ATOM 1695 N GLN A 502 -25.350 27.863 -17.760 1.00 32.40 N ATOM 1696 CA GLN A 502 -24.033 28.434 -17.496 1.00 32.71 C ATOM 1697 C GLN A 502 -23.580 28.139 -16.070 1.00 32.68 C ATOM 1698 O GLN A 502 -22.441 27.722 -15.850 1.00 32.43 O ATOM 1699 CB GLN A 502 -24.031 29.942 -17.747 1.00 32.78 C ATOM 1700 CG GLN A 502 -23.925 30.307 -19.210 1.00 34.12 C ATOM 1701 CD GLN A 502 -23.928 31.802 -19.443 1.00 35.52 C ATOM 1702 OE1 GLN A 502 -24.067 32.588 -18.505 1.00 36.31 O ATOM 1703 NE2 GLN A 502 -23.776 32.204 -20.699 1.00 35.71 N ATOM 1704 HE22 GLN A 502 -23.662 31.503 -21.459 1.00 0.00 H ATOM 1705 HE21 GLN A 502 -23.771 33.220 -20.923 1.00 0.00 H ATOM 1706 H GLN A 502 -26.168 28.493 -17.889 1.00 0.00 H ATOM 1707 N ARG A 503 -24.475 28.353 -15.106 1.00 33.04 N ATOM 1708 CA ARG A 503 -24.143 28.127 -13.704 1.00 32.17 C ATOM 1709 C ARG A 503 -23.877 26.648 -13.415 1.00 32.12 C ATOM 1710 O ARG A 503 -22.932 26.319 -12.695 1.00 32.62 O ATOM 1711 CB ARG A 503 -25.252 28.651 -12.789 1.00 32.17 C ATOM 1712 CG ARG A 503 -24.907 28.549 -11.304 1.00 31.74 C ATOM 1713 CD ARG A 503 -25.847 29.376 -10.447 1.00 32.05 C ATOM 1714 NE ARG A 503 -25.503 29.307 -9.030 1.00 32.77 N ATOM 1715 CZ ARG A 503 -24.691 30.159 -8.412 1.00 34.40 C ATOM 1716 NH1 ARG A 503 -24.130 31.153 -9.088 1.00 33.93 N ATOM 1717 NH2 ARG A 503 -24.437 30.019 -7.117 1.00 36.17 N ATOM 1718 HE ARG A 503 -25.921 28.540 -8.466 1.00 0.00 H ATOM 1719 HH12 ARG A 503 -23.495 31.819 -8.603 1.00 0.00 H ATOM 1720 HH11 ARG A 503 -24.325 31.267 -10.103 1.00 0.00 H ATOM 1721 HH22 ARG A 503 -23.801 30.687 -6.637 1.00 0.00 H ATOM 1722 HH21 ARG A 503 -24.874 29.241 -6.583 1.00 0.00 H ATOM 1723 H ARG A 503 -25.427 28.687 -15.358 1.00 0.00 H ATOM 1724 N LEU A 504 -24.706 25.765 -13.980 1.00 28.88 N ATOM 1725 CA LEU A 504 -24.514 24.323 -13.815 1.00 28.96 C ATOM 1726 C LEU A 504 -23.092 23.919 -14.186 1.00 29.87 C ATOM 1727 O LEU A 504 -22.447 23.148 -13.468 1.00 29.75 O ATOM 1728 CB LEU A 504 -25.518 23.537 -14.663 1.00 29.35 C ATOM 1729 CG LEU A 504 -25.332 22.015 -14.716 1.00 30.17 C ATOM 1730 CD1 LEU A 504 -25.563 21.365 -13.349 1.00 26.75 C ATOM 1731 CD2 LEU A 504 -26.236 21.387 -15.767 1.00 27.62 C ATOM 1732 H LEU A 504 -25.505 26.110 -14.549 1.00 0.00 H ATOM 1733 N ALA A 505 -22.608 24.467 -15.302 1.00 30.09 N ATOM 1734 CA ALA A 505 -21.267 24.186 -15.805 1.00 30.14 C ATOM 1735 C ALA A 505 -20.180 24.750 -14.903 1.00 30.59 C ATOM 1736 O ALA A 505 -19.210 24.058 -14.582 1.00 30.82 O ATOM 1737 CB ALA A 505 -21.108 24.741 -17.221 1.00 31.04 C ATOM 1738 H ALA A 505 -23.213 25.123 -15.837 1.00 0.00 H ATOM 1739 N GLN A 506 -20.334 26.015 -14.515 1.00 31.25 N ATOM 1740 CA GLN A 506 -19.398 26.648 -13.594 1.00 32.91 C ATOM 1741 C GLN A 506 -19.283 25.819 -12.323 1.00 33.90 C ATOM 1742 O GLN A 506 -18.183 25.596 -11.811 1.00 36.09 O ATOM 1743 CB GLN A 506 -19.841 28.072 -13.254 1.00 33.91 C ATOM 1744 CG GLN A 506 -19.885 29.029 -14.426 1.00 34.90 C ATOM 1745 CD GLN A 506 -20.783 30.222 -14.153 1.00 36.70 C ATOM 1746 OE1 GLN A 506 -21.541 30.231 -13.182 1.00 37.71 O ATOM 1747 NE2 GLN A 506 -20.700 31.236 -15.007 1.00 36.86 N ATOM 1748 HE22 GLN A 506 -20.045 31.184 -15.813 1.00 0.00 H ATOM 1749 HE21 GLN A 506 -21.290 32.081 -14.869 1.00 0.00 H ATOM 1750 H GLN A 506 -21.140 26.563 -14.877 1.00 0.00 H ATOM 1751 N LEU A 507 -20.429 25.355 -11.826 1.00 31.80 N ATOM 1752 CA LEU A 507 -20.460 24.502 -10.646 1.00 30.91 C ATOM 1753 C LEU A 507 -19.718 23.195 -10.878 1.00 31.10 C ATOM 1754 O LEU A 507 -18.919 22.780 -10.047 1.00 31.39 O ATOM 1755 CB LEU A 507 -21.901 24.206 -10.226 1.00 31.35 C ATOM 1756 CG LEU A 507 -22.663 25.379 -9.610 1.00 31.09 C ATOM 1757 CD1 LEU A 507 -24.040 24.944 -9.158 1.00 31.51 C ATOM 1758 CD2 LEU A 507 -21.876 25.952 -8.455 1.00 30.12 C ATOM 1759 H LEU A 507 -21.323 25.608 -12.292 1.00 0.00 H ATOM 1760 N LEU A 508 -19.972 22.564 -12.003 1.00 30.87 N ATOM 1761 CA LEU A 508 -19.413 21.273 -12.273 1.00 29.08 C ATOM 1762 C LEU A 508 -17.940 21.307 -12.624 1.00 29.20 C ATOM 1763 O LEU A 508 -17.261 20.390 -12.317 1.00 28.81 O ATOM 1764 CB LEU A 508 -20.230 20.583 -13.333 1.00 28.97 C ATOM 1765 CG LEU A 508 -21.291 19.581 -12.897 1.00 30.07 C ATOM 1766 CD1 LEU A 508 -21.735 19.660 -11.480 1.00 26.11 C ATOM 1767 CD2 LEU A 508 -22.461 19.486 -13.818 1.00 30.04 C ATOM 1768 H LEU A 508 -20.590 23.010 -12.710 1.00 0.00 H ATOM 1769 N LEU A 509 -17.464 22.385 -13.241 1.00 29.97 N ATOM 1770 CA LEU A 509 -16.047 22.517 -13.601 1.00 30.75 C ATOM 1771 C LEU A 509 -15.152 22.638 -12.363 1.00 30.40 C ATOM 1772 O LEU A 509 -13.981 22.266 -12.392 1.00 31.38 O ATOM 1773 CB LEU A 509 -15.829 23.720 -14.527 1.00 31.46 C ATOM 1774 CG LEU A 509 -16.386 23.575 -15.947 1.00 32.85 C ATOM 1775 CD1 LEU A 509 -16.077 24.794 -16.798 1.00 32.37 C ATOM 1776 CD2 LEU A 509 -15.857 22.305 -16.605 1.00 34.32 C ATOM 1777 H LEU A 509 -18.117 23.160 -13.476 1.00 0.00 H ATOM 1778 N ILE A 510 -15.714 23.159 -11.279 1.00 32.21 N ATOM 1779 CA ILE A 510 -15.010 23.268 -10.007 1.00 32.47 C ATOM 1780 C ILE A 510 -14.647 21.888 -9.454 1.00 33.48 C ATOM 1781 O ILE A 510 -13.599 21.716 -8.822 1.00 33.76 O ATOM 1782 CB ILE A 510 -15.864 24.055 -8.991 1.00 32.49 C ATOM 1783 CG1 ILE A 510 -15.609 25.554 -9.163 1.00 32.09 C ATOM 1784 CG2 ILE A 510 -15.580 23.619 -7.554 1.00 32.89 C ATOM 1785 CD1 ILE A 510 -16.746 26.411 -8.692 1.00 32.37 C ATOM 1786 H ILE A 510 -16.694 23.502 -11.339 1.00 0.00 H ATOM 1787 N LEU A 511 -15.509 20.922 -9.709 1.00 32.18 N ATOM 1788 CA LEU A 511 -15.237 19.548 -9.395 1.00 31.53 C ATOM 1789 C LEU A 511 -13.928 18.983 -9.953 1.00 30.92 C ATOM 1790 O LEU A 511 -13.366 18.066 -9.427 1.00 31.29 O ATOM 1791 CB LEU A 511 -16.397 18.695 -9.833 1.00 31.52 C ATOM 1792 CG LEU A 511 -17.383 18.405 -8.739 1.00 31.85 C ATOM 1793 CD1 LEU A 511 -17.578 19.533 -7.764 1.00 31.46 C ATOM 1794 CD2 LEU A 511 -18.679 17.923 -9.296 1.00 32.22 C ATOM 1795 H LEU A 511 -16.418 21.165 -10.153 1.00 0.00 H ATOM 1796 N SER A 512 -13.485 19.539 -11.049 1.00 30.47 N ATOM 1797 CA SER A 512 -12.210 19.156 -11.645 1.00 30.87 C ATOM 1798 C SER A 512 -11.038 19.616 -10.780 1.00 29.19 C ATOM 1799 O SER A 512 -10.077 18.874 -10.580 1.00 28.66 O ATOM 1800 CB SER A 512 -12.078 19.729 -13.056 1.00 32.00 C ATOM 1801 OG SER A 512 -10.723 19.728 -13.480 1.00 32.87 O ATOM 1802 HG SER A 512 -10.664 20.103 -14.394 1.00 0.00 H ATOM 1803 H SER A 512 -14.057 20.275 -11.509 1.00 0.00 H ATOM 1804 N HIS A 513 -11.129 20.832 -10.266 1.00 32.29 N ATOM 1805 CA HIS A 513 -10.150 21.420 -9.403 1.00 32.36 C ATOM 1806 C HIS A 513 -10.092 20.737 -8.063 1.00 31.77 C ATOM 1807 O HIS A 513 -9.074 20.679 -7.455 1.00 32.69 O ATOM 1808 CB HIS A 513 -10.477 22.867 -9.136 1.00 31.68 C ATOM 1809 CG HIS A 513 -10.456 23.732 -10.336 1.00 32.06 C ATOM 1810 ND1 HIS A 513 -9.391 24.536 -10.648 1.00 33.13 N ATOM 1811 CD2 HIS A 513 -11.374 23.938 -11.301 1.00 31.76 C ATOM 1812 CE1 HIS A 513 -9.650 25.197 -11.752 1.00 33.24 C ATOM 1813 NE2 HIS A 513 -10.843 24.845 -12.174 1.00 32.39 N ATOM 1814 H HIS A 513 -11.968 21.398 -10.505 1.00 0.00 H ATOM 1815 N ILE A 514 -11.221 20.266 -7.599 1.00 28.16 N ATOM 1816 CA ILE A 514 -11.315 19.572 -6.322 1.00 30.16 C ATOM 1817 C ILE A 514 -10.675 18.198 -6.470 1.00 31.77 C ATOM 1818 O ILE A 514 -10.022 17.703 -5.548 1.00 32.57 O ATOM 1819 CB ILE A 514 -12.784 19.455 -5.844 1.00 31.35 C ATOM 1820 CG1 ILE A 514 -13.299 20.824 -5.399 1.00 32.00 C ATOM 1821 CG2 ILE A 514 -12.921 18.457 -4.700 1.00 30.83 C ATOM 1822 CD1 ILE A 514 -14.798 20.881 -5.261 1.00 34.59 C ATOM 1823 H ILE A 514 -12.085 20.392 -8.164 1.00 0.00 H ATOM 1824 N ARG A 515 -10.843 17.596 -7.647 1.00 29.23 N ATOM 1825 CA ARG A 515 -10.168 16.342 -7.950 1.00 29.93 C ATOM 1826 C ARG A 515 -8.664 16.545 -7.887 1.00 29.62 C ATOM 1827 O ARG A 515 -7.932 15.740 -7.310 1.00 28.86 O ATOM 1828 CB ARG A 515 -10.557 15.816 -9.330 1.00 30.79 C ATOM 1829 CG ARG A 515 -9.908 14.476 -9.645 1.00 32.30 C ATOM 1830 CD ARG A 515 -10.690 13.331 -9.005 1.00 33.69 C ATOM 1831 NE ARG A 515 -11.735 12.844 -9.903 1.00 34.44 N ATOM 1832 CZ ARG A 515 -12.035 11.561 -10.082 1.00 34.83 C ATOM 1833 NH1 ARG A 515 -11.383 10.623 -9.409 1.00 35.00 N ATOM 1834 NH2 ARG A 515 -12.991 11.214 -10.931 1.00 35.16 N ATOM 1835 HE ARG A 515 -12.281 13.549 -10.438 1.00 0.00 H ATOM 1836 HH12 ARG A 515 -11.620 9.621 -9.552 1.00 0.00 H ATOM 1837 HH11 ARG A 515 -10.634 10.890 -8.738 1.00 0.00 H ATOM 1838 HH22 ARG A 515 -13.224 10.210 -11.070 1.00 0.00 H ATOM 1839 HH21 ARG A 515 -13.508 11.946 -11.459 1.00 0.00 H ATOM 1840 H ARG A 515 -11.465 18.028 -8.359 1.00 0.00 H ATOM 1841 N HIS A 516 -8.218 17.638 -8.496 1.00 31.33 N ATOM 1842 CA HIS A 516 -6.814 17.995 -8.534 1.00 31.25 C ATOM 1843 C HIS A 516 -6.267 18.185 -7.126 1.00 30.53 C ATOM 1844 O HIS A 516 -5.269 17.572 -6.760 1.00 31.73 O ATOM 1845 CB HIS A 516 -6.613 19.265 -9.358 1.00 31.71 C ATOM 1846 CG HIS A 516 -5.176 19.627 -9.567 1.00 33.76 C ATOM 1847 ND1 HIS A 516 -4.318 18.857 -10.323 1.00 34.63 N ATOM 1848 CD2 HIS A 516 -4.448 20.679 -9.125 1.00 34.46 C ATOM 1849 CE1 HIS A 516 -3.122 19.417 -10.332 1.00 35.75 C ATOM 1850 NE2 HIS A 516 -3.175 20.526 -9.616 1.00 35.40 N ATOM 1851 H HIS A 516 -8.904 18.263 -8.965 1.00 0.00 H ATOM 1852 N MET A 517 -6.919 18.996 -6.335 1.00 29.39 N ATOM 1853 CA MET A 517 -6.520 19.219 -4.968 1.00 30.31 C ATOM 1854 C MET A 517 -6.493 17.946 -4.173 1.00 32.00 C ATOM 1855 O MET A 517 -5.616 17.736 -3.386 1.00 34.25 O ATOM 1856 CB MET A 517 -7.431 20.208 -4.281 1.00 29.18 C ATOM 1857 CG MET A 517 -7.323 21.609 -4.786 1.00 29.19 C ATOM 1858 SD MET A 517 -8.257 22.747 -3.815 1.00 38.39 S ATOM 1859 CE MET A 517 -9.882 22.402 -4.408 1.00 30.82 C ATOM 1860 H MET A 517 -7.753 19.497 -6.704 1.00 0.00 H ATOM 1861 N SER A 518 -7.463 17.099 -4.396 1.00 30.40 N ATOM 1862 CA SER A 518 -7.512 15.813 -3.715 1.00 30.80 C ATOM 1863 C SER A 518 -6.326 14.922 -4.066 1.00 31.46 C ATOM 1864 O SER A 518 -5.722 14.332 -3.176 1.00 33.21 O ATOM 1865 CB SER A 518 -8.801 15.078 -4.041 1.00 30.57 C ATOM 1866 OG SER A 518 -8.760 13.760 -3.517 1.00 31.28 O ATOM 1867 HG SER A 518 -9.605 13.293 -3.736 1.00 0.00 H ATOM 1868 H SER A 518 -8.213 17.348 -5.072 1.00 0.00 H ATOM 1869 N ASN A 519 -6.005 14.810 -5.354 1.00 31.26 N ATOM 1870 CA ASN A 519 -4.860 14.009 -5.782 1.00 31.85 C ATOM 1871 C ASN A 519 -3.567 14.504 -5.134 1.00 31.60 C ATOM 1872 O ASN A 519 -2.685 13.717 -4.793 1.00 30.60 O ATOM 1873 CB ASN A 519 -4.701 14.030 -7.307 1.00 33.43 C ATOM 1874 CG ASN A 519 -5.874 13.398 -8.038 1.00 34.40 C ATOM 1875 OD1 ASN A 519 -6.381 13.955 -9.013 1.00 33.93 O ATOM 1876 ND2 ASN A 519 -6.298 12.224 -7.582 1.00 35.07 N ATOM 1877 HD22 ASN A 519 -5.839 11.791 -6.755 1.00 0.00 H ATOM 1878 HD21 ASN A 519 -7.088 11.738 -8.052 1.00 0.00 H ATOM 1879 H ASN A 519 -6.580 15.302 -6.068 1.00 0.00 H ATOM 1880 N LYS A 520 -3.461 15.815 -4.964 1.00 33.21 N ATOM 1881 CA LYS A 520 -2.269 16.413 -4.379 1.00 32.70 C ATOM 1882 C LYS A 520 -2.185 16.135 -2.880 1.00 31.68 C ATOM 1883 O LYS A 520 -1.121 15.787 -2.368 1.00 32.17 O ATOM 1884 CB LYS A 520 -2.242 17.915 -4.653 1.00 32.71 C ATOM 1885 CG LYS A 520 -2.156 18.257 -6.134 1.00 34.12 C ATOM 1886 CD LYS A 520 -0.819 17.818 -6.724 1.00 35.64 C ATOM 1887 CE LYS A 520 -0.958 17.459 -8.199 1.00 36.79 C ATOM 1888 NZ LYS A 520 0.314 16.975 -8.814 1.00 37.31 N ATOM 1889 HZ1 LYS A 520 1.038 17.718 -8.740 1.00 0.00 H ATOM 1890 HZ2 LYS A 520 0.637 16.123 -8.314 1.00 0.00 H ATOM 1891 HZ3 LYS A 520 0.149 16.749 -9.816 1.00 0.00 H ATOM 1892 H LYS A 520 -4.247 16.430 -5.255 1.00 0.00 H ATOM 1893 N GLY A 521 -3.308 16.279 -2.182 1.00 30.55 N ATOM 1894 CA GLY A 521 -3.347 16.026 -0.755 1.00 30.32 C ATOM 1895 C GLY A 521 -3.101 14.565 -0.440 1.00 31.28 C ATOM 1896 O GLY A 521 -2.458 14.228 0.553 1.00 32.36 O ATOM 1897 H GLY A 521 -4.176 16.579 -2.670 1.00 0.00 H ATOM 1898 N MET A 522 -3.624 13.694 -1.298 1.00 31.60 N ATOM 1899 CA MET A 522 -3.396 12.261 -1.182 1.00 31.10 C ATOM 1900 C MET A 522 -1.899 11.965 -1.164 1.00 33.45 C ATOM 1901 O MET A 522 -1.396 11.269 -0.277 1.00 33.44 O ATOM 1902 CB MET A 522 -4.070 11.520 -2.340 1.00 30.15 C ATOM 1903 CG MET A 522 -4.434 10.082 -2.014 1.00 30.13 C ATOM 1904 SD MET A 522 -5.523 9.983 -0.579 1.00 32.11 S ATOM 1905 CE MET A 522 -7.058 10.595 -1.275 1.00 37.97 C ATOM 1906 H MET A 522 -4.215 14.048 -2.077 1.00 0.00 H ATOM 1907 N GLU A 523 -1.198 12.513 -2.157 1.00 33.60 N ATOM 1908 CA GLU A 523 0.243 12.358 -2.267 1.00 34.26 C ATOM 1909 C GLU A 523 0.957 13.004 -1.086 1.00 35.09 C ATOM 1910 O GLU A 523 1.904 12.434 -0.549 1.00 37.85 O ATOM 1911 CB GLU A 523 0.749 12.961 -3.585 1.00 33.74 C ATOM 1912 H GLU A 523 -1.700 13.071 -2.878 1.00 0.00 H ATOM 1913 N HIS A 524 0.507 14.191 -0.684 1.00 34.30 N ATOM 1914 CA HIS A 524 1.115 14.879 0.450 1.00 35.49 C ATOM 1915 C HIS A 524 0.977 14.036 1.713 1.00 36.14 C ATOM 1916 O HIS A 524 1.927 13.884 2.482 1.00 35.97 O ATOM 1917 CB HIS A 524 0.489 16.262 0.669 1.00 34.79 C ATOM 1918 CG HIS A 524 1.104 17.025 1.804 1.00 35.54 C ATOM 1919 ND1 HIS A 524 0.651 16.922 3.102 1.00 34.97 N ATOM 1920 CD2 HIS A 524 2.152 17.883 1.838 1.00 36.13 C ATOM 1921 CE1 HIS A 524 1.390 17.690 3.885 1.00 36.10 C ATOM 1922 NE2 HIS A 524 2.307 18.285 3.143 1.00 36.15 N ATOM 1923 H HIS A 524 -0.289 14.634 -1.185 1.00 0.00 H ATOM 1924 N LEU A 525 -0.211 13.478 1.912 1.00 37.08 N ATOM 1925 CA LEU A 525 -0.489 12.640 3.074 1.00 37.28 C ATOM 1926 C LEU A 525 0.336 11.355 3.081 1.00 37.97 C ATOM 1927 O LEU A 525 0.799 10.915 4.135 1.00 36.22 O ATOM 1928 CB LEU A 525 -1.981 12.290 3.129 1.00 35.59 C ATOM 1929 CG LEU A 525 -2.396 11.371 4.280 1.00 35.19 C ATOM 1930 CD1 LEU A 525 -2.087 12.010 5.633 1.00 35.91 C ATOM 1931 CD2 LEU A 525 -3.867 11.002 4.180 1.00 34.74 C ATOM 1932 H LEU A 525 -0.968 13.643 1.218 1.00 0.00 H ATOM 1933 N TYR A 526 0.508 10.745 1.912 1.00 39.39 N ATOM 1934 CA TYR A 526 1.293 9.519 1.822 1.00 42.63 C ATOM 1935 C TYR A 526 2.748 9.797 2.179 1.00 42.07 C ATOM 1936 O TYR A 526 3.408 8.963 2.801 1.00 42.90 O ATOM 1937 CB TYR A 526 1.193 8.898 0.426 1.00 46.68 C ATOM 1938 CG TYR A 526 2.165 7.759 0.188 1.00 51.20 C ATOM 1939 CD1 TYR A 526 1.840 6.451 0.533 1.00 53.47 C ATOM 1940 CD2 TYR A 526 3.409 7.995 -0.385 1.00 54.56 C ATOM 1941 CE1 TYR A 526 2.730 5.411 0.317 1.00 57.10 C ATOM 1942 CE2 TYR A 526 4.304 6.965 -0.605 1.00 58.33 C ATOM 1943 CZ TYR A 526 3.962 5.675 -0.252 1.00 59.92 C ATOM 1944 OH TYR A 526 4.860 4.653 -0.472 1.00 62.90 O ATOM 1945 HH TYR A 526 4.466 3.798 -0.166 1.00 0.00 H ATOM 1946 H TYR A 526 0.079 11.146 1.054 1.00 0.00 H ATOM 1947 N SER A 527 3.247 10.970 1.792 1.00 40.05 N ATOM 1948 CA SER A 527 4.606 11.354 2.147 1.00 41.69 C ATOM 1949 C SER A 527 4.729 11.474 3.664 1.00 42.60 C ATOM 1950 O SER A 527 5.666 10.940 4.261 1.00 44.49 O ATOM 1951 CB SER A 527 5.003 12.669 1.471 1.00 42.92 C ATOM 1952 OG SER A 527 4.473 13.790 2.158 1.00 43.59 O ATOM 1953 HG SER A 527 3.485 13.731 2.171 1.00 0.00 H ATOM 1954 H SER A 527 2.659 11.619 1.230 1.00 0.00 H ATOM 1955 N MET A 528 3.769 12.161 4.281 1.00 42.80 N ATOM 1956 CA MET A 528 3.757 12.348 5.731 1.00 42.17 C ATOM 1957 C MET A 528 3.756 11.018 6.480 1.00 42.87 C ATOM 1958 O MET A 528 4.450 10.869 7.486 1.00 44.22 O ATOM 1959 CB MET A 528 2.545 13.187 6.151 1.00 40.37 C ATOM 1960 CG MET A 528 2.615 14.636 5.693 1.00 39.37 C ATOM 1961 SD MET A 528 3.995 15.524 6.442 1.00 45.99 S ATOM 1962 CE MET A 528 4.653 16.412 5.033 1.00 35.10 C ATOM 1963 H MET A 528 3.004 12.578 3.713 1.00 0.00 H ATOM 1964 N LYS A 529 2.980 10.055 5.986 1.00 42.25 N ATOM 1965 CA LYS A 529 3.004 8.701 6.536 1.00 43.52 C ATOM 1966 C LYS A 529 4.383 8.073 6.394 1.00 45.09 C ATOM 1967 O LYS A 529 4.870 7.410 7.309 1.00 46.14 O ATOM 1968 CB LYS A 529 1.967 7.811 5.848 1.00 44.54 C ATOM 1969 CG LYS A 529 2.216 6.322 6.068 1.00 46.92 C ATOM 1970 CD LYS A 529 2.057 5.516 4.787 1.00 48.97 C ATOM 1971 CE LYS A 529 0.629 5.026 4.618 1.00 51.06 C ATOM 1972 NZ LYS A 529 0.484 4.075 3.481 1.00 52.52 N ATOM 1973 HZ1 LYS A 529 0.768 4.546 2.598 1.00 0.00 H ATOM 1974 HZ2 LYS A 529 1.091 3.246 3.644 1.00 0.00 H ATOM 1975 HZ3 LYS A 529 -0.508 3.771 3.409 1.00 0.00 H ATOM 1976 H LYS A 529 2.344 10.271 5.192 1.00 0.00 H ATOM 1977 N CYS A 530 4.991 8.288 5.253 1.00 43.30 N ATOM 1978 CA CYS A 530 6.277 7.713 5.004 1.00 46.16 C ATOM 1979 C CYS A 530 7.327 8.306 5.926 1.00 49.18 C ATOM 1980 O CYS A 530 8.189 7.609 6.360 1.00 50.84 O ATOM 1981 CB CYS A 530 6.674 7.859 3.533 1.00 46.14 C ATOM 1982 SG CYS A 530 5.851 6.736 2.409 1.00 55.49 S ATOM 1983 H CYS A 530 4.537 8.878 4.527 1.00 0.00 H ATOM 1984 N LYS A 531 7.234 9.594 6.214 1.00 48.96 N ATOM 1985 CA LYS A 531 8.180 10.290 7.077 1.00 50.74 C ATOM 1986 C LYS A 531 8.016 9.886 8.537 1.00 53.02 C ATOM 1987 O LYS A 531 8.912 10.116 9.355 1.00 54.24 O ATOM 1988 CB LYS A 531 8.012 11.803 6.933 1.00 50.01 C ATOM 1989 H LYS A 531 6.447 10.137 5.804 1.00 0.00 H ATOM 1990 N ASN A 532 6.876 9.271 8.849 1.00 51.87 N ATOM 1991 CA ASN A 532 6.466 9.005 10.228 1.00 54.07 C ATOM 1992 C ASN A 532 6.331 10.288 11.019 1.00 55.10 C ATOM 1993 O ASN A 532 6.608 10.319 12.216 1.00 55.51 O ATOM 1994 CB ASN A 532 7.446 8.074 10.942 1.00 55.96 C ATOM 1995 CG ASN A 532 7.285 6.637 10.526 1.00 57.26 C ATOM 1996 OD1 ASN A 532 7.752 6.234 9.462 1.00 58.42 O ATOM 1997 ND2 ASN A 532 6.621 5.848 11.363 1.00 57.41 N ATOM 1998 HD22 ASN A 532 6.244 6.233 12.252 1.00 0.00 H ATOM 1999 HD21 ASN A 532 6.478 4.845 11.129 1.00 0.00 H ATOM 2000 H ASN A 532 6.249 8.966 8.077 1.00 0.00 H ATOM 2001 N VAL A 533 5.913 11.351 10.347 1.00 54.35 N ATOM 2002 CA VAL A 533 5.701 12.608 11.033 1.00 55.50 C ATOM 2003 C VAL A 533 4.590 12.428 12.071 1.00 56.05 C ATOM 2004 O VAL A 533 4.681 12.958 13.175 1.00 57.45 O ATOM 2005 CB VAL A 533 5.354 13.751 10.049 1.00 54.70 C ATOM 2006 CG1 VAL A 533 5.005 15.028 10.795 1.00 55.42 C ATOM 2007 CG2 VAL A 533 6.520 14.006 9.129 1.00 54.77 C ATOM 2008 H VAL A 533 5.737 11.282 9.324 1.00 0.00 H ATOM 2009 N VAL A 534 3.564 11.648 11.722 1.00 52.37 N ATOM 2010 CA VAL A 534 2.319 11.616 12.505 1.00 51.28 C ATOM 2011 C VAL A 534 1.644 10.227 12.521 1.00 49.41 C ATOM 2012 O VAL A 534 1.702 9.493 11.533 1.00 49.28 O ATOM 2013 CB VAL A 534 1.336 12.699 11.950 1.00 55.47 C ATOM 2014 H VAL A 534 3.647 11.049 10.876 1.00 0.00 H ATOM 2015 N PRO A 535 1.018 9.853 13.657 1.00 54.22 N ATOM 2016 CA PRO A 535 0.239 8.611 13.726 1.00 52.51 C ATOM 2017 C PRO A 535 -1.090 8.720 12.984 1.00 49.82 C ATOM 2018 O PRO A 535 -1.821 9.688 13.198 1.00 50.83 O ATOM 2019 CB PRO A 535 -0.002 8.437 15.227 1.00 53.73 C ATOM 2020 CG PRO A 535 -0.036 9.833 15.741 1.00 54.74 C ATOM 2021 CD PRO A 535 1.041 10.543 14.960 1.00 54.78 C ATOM 2022 N LEU A 536 -1.401 7.748 12.136 1.00 49.74 N ATOM 2023 CA LEU A 536 -2.665 7.758 11.406 1.00 46.15 C ATOM 2024 C LEU A 536 -3.563 6.621 11.877 1.00 44.54 C ATOM 2025 O LEU A 536 -3.085 5.526 12.165 1.00 45.84 O ATOM 2026 CB LEU A 536 -2.420 7.654 9.899 1.00 44.79 C ATOM 2027 CG LEU A 536 -1.511 8.716 9.278 1.00 44.15 C ATOM 2028 CD1 LEU A 536 -1.354 8.485 7.788 1.00 43.21 C ATOM 2029 CD2 LEU A 536 -2.037 10.119 9.546 1.00 44.20 C ATOM 2030 H LEU A 536 -0.732 6.965 11.989 1.00 0.00 H ATOM 2031 N SER A 537 -4.865 6.885 11.960 1.00 42.28 N ATOM 2032 CA SER A 537 -5.816 5.859 12.370 1.00 42.86 C ATOM 2033 C SER A 537 -5.868 4.742 11.339 1.00 42.74 C ATOM 2034 O SER A 537 -5.525 4.955 10.176 1.00 40.35 O ATOM 2035 CB SER A 537 -7.205 6.456 12.567 1.00 43.01 C ATOM 2036 OG SER A 537 -7.746 6.913 11.336 1.00 41.82 O ATOM 2037 HG SER A 537 -8.646 7.295 11.494 1.00 0.00 H ATOM 2038 H SER A 537 -5.209 7.839 11.729 1.00 0.00 H ATOM 2039 N ASP A 538 -6.291 3.555 11.769 1.00 45.18 N ATOM 2040 CA ASP A 538 -6.413 2.413 10.866 1.00 46.11 C ATOM 2041 C ASP A 538 -7.286 2.759 9.664 1.00 45.91 C ATOM 2042 O ASP A 538 -6.971 2.396 8.532 1.00 44.70 O ATOM 2043 CB ASP A 538 -6.989 1.201 11.599 1.00 48.14 C ATOM 2044 CG ASP A 538 -5.938 0.428 12.367 1.00 49.17 C ATOM 2045 OD1 ASP A 538 -4.861 0.998 12.641 1.00 48.11 O ATOM 2046 OD2 ASP A 538 -6.192 -0.751 12.695 1.00 51.10 O ATOM 2047 H ASP A 538 -6.541 3.438 12.772 1.00 0.00 H ATOM 2048 N LEU A 539 -8.376 3.475 9.923 1.00 45.64 N ATOM 2049 CA LEU A 539 -9.293 3.897 8.871 1.00 45.37 C ATOM 2050 C LEU A 539 -8.626 4.831 7.873 1.00 45.49 C ATOM 2051 O LEU A 539 -8.628 4.574 6.672 1.00 45.28 O ATOM 2052 CB LEU A 539 -10.514 4.587 9.473 1.00 44.73 C ATOM 2053 CG LEU A 539 -11.445 5.273 8.467 1.00 43.06 C ATOM 2054 CD1 LEU A 539 -11.928 4.289 7.405 1.00 43.37 C ATOM 2055 CD2 LEU A 539 -12.622 5.918 9.186 1.00 43.34 C ATOM 2056 H LEU A 539 -8.581 3.742 10.907 1.00 0.00 H ATOM 2057 N LEU A 540 -8.069 5.921 8.385 1.00 44.73 N ATOM 2058 CA LEU A 540 -7.440 6.937 7.553 1.00 44.06 C ATOM 2059 C LEU A 540 -6.314 6.318 6.733 1.00 45.70 C ATOM 2060 O LEU A 540 -6.072 6.695 5.585 1.00 45.46 O ATOM 2061 CB LEU A 540 -6.921 8.073 8.433 1.00 42.92 C ATOM 2062 CG LEU A 540 -6.405 9.353 7.787 1.00 41.97 C ATOM 2063 CD1 LEU A 540 -7.416 9.890 6.796 1.00 41.06 C ATOM 2064 CD2 LEU A 540 -6.122 10.377 8.872 1.00 42.45 C ATOM 2065 H LEU A 540 -8.082 6.054 9.416 1.00 0.00 H ATOM 2066 N LEU A 541 -5.649 5.344 7.340 1.00 45.98 N ATOM 2067 CA LEU A 541 -4.557 4.614 6.716 1.00 47.40 C ATOM 2068 C LEU A 541 -5.058 3.768 5.546 1.00 49.59 C ATOM 2069 O LEU A 541 -4.446 3.745 4.477 1.00 49.85 O ATOM 2070 CB LEU A 541 -3.867 3.732 7.760 1.00 48.10 C ATOM 2071 CG LEU A 541 -2.349 3.572 7.756 1.00 48.35 C ATOM 2072 CD1 LEU A 541 -1.666 4.871 7.385 1.00 47.81 C ATOM 2073 CD2 LEU A 541 -1.888 3.114 9.131 1.00 49.03 C ATOM 2074 H LEU A 541 -5.922 5.090 8.311 1.00 0.00 H ATOM 2075 N GLU A 542 -6.179 3.081 5.754 1.00 49.47 N ATOM 2076 CA GLU A 542 -6.747 2.209 4.729 1.00 51.34 C ATOM 2077 C GLU A 542 -7.352 2.989 3.552 1.00 48.95 C ATOM 2078 O GLU A 542 -7.388 2.490 2.427 1.00 48.49 O ATOM 2079 CB GLU A 542 -7.804 1.285 5.347 1.00 55.32 C ATOM 2080 CG GLU A 542 -7.225 0.203 6.257 1.00 58.99 C ATOM 2081 CD GLU A 542 -8.290 -0.683 6.885 1.00 63.01 C ATOM 2082 OE1 GLU A 542 -9.497 -0.397 6.714 1.00 64.05 O ATOM 2083 OE2 GLU A 542 -7.917 -1.670 7.552 1.00 65.39 O ATOM 2084 H GLU A 542 -6.663 3.167 6.670 1.00 0.00 H ATOM 2085 N MET A 543 -7.822 4.209 3.811 1.00 48.60 N ATOM 2086 CA MET A 543 -8.352 5.067 2.750 1.00 47.35 C ATOM 2087 C MET A 543 -7.208 5.585 1.888 1.00 46.32 C ATOM 2088 O MET A 543 -7.316 5.678 0.666 1.00 46.52 O ATOM 2089 CB MET A 543 -9.139 6.243 3.334 1.00 47.03 C ATOM 2090 CG MET A 543 -10.239 5.856 4.311 1.00 48.89 C ATOM 2091 SD MET A 543 -11.668 5.051 3.566 1.00 43.25 S ATOM 2092 CE MET A 543 -12.645 6.459 3.064 1.00 31.95 C ATOM 2093 H MET A 543 -7.812 4.560 4.790 1.00 0.00 H ATOM 2094 N LEU A 544 -6.119 5.937 2.558 1.00 47.94 N ATOM 2095 CA LEU A 544 -4.876 6.327 1.914 1.00 46.16 C ATOM 2096 C LEU A 544 -4.355 5.173 1.066 1.00 47.05 C ATOM 2097 O LEU A 544 -4.078 5.320 -0.124 1.00 47.49 O ATOM 2098 CB LEU A 544 -3.861 6.732 2.983 1.00 45.21 C ATOM 2099 CG LEU A 544 -2.423 7.105 2.640 1.00 44.40 C ATOM 2100 CD1 LEU A 544 -2.390 8.117 1.506 1.00 43.81 C ATOM 2101 CD2 LEU A 544 -1.755 7.663 3.888 1.00 42.95 C ATOM 2102 H LEU A 544 -6.156 5.934 3.597 1.00 0.00 H ATOM 2103 N ASP A 545 -4.256 4.016 1.703 1.00 48.55 N ATOM 2104 CA ASP A 545 -3.822 2.778 1.069 1.00 50.30 C ATOM 2105 C ASP A 545 -4.666 2.392 -0.160 1.00 49.51 C ATOM 2106 O ASP A 545 -4.186 1.701 -1.064 1.00 49.54 O ATOM 2107 CB ASP A 545 -3.839 1.667 2.127 1.00 53.42 C ATOM 2108 CG ASP A 545 -3.880 0.283 1.533 1.00 57.47 C ATOM 2109 OD1 ASP A 545 -2.814 -0.225 1.128 1.00 59.11 O ATOM 2110 OD2 ASP A 545 -4.981 -0.306 1.495 1.00 59.42 O ATOM 2111 H ASP A 545 -4.502 3.990 2.713 1.00 0.00 H ATOM 2112 N ALA A 546 -5.913 2.863 -0.200 1.00 46.35 N ATOM 2113 CA ALA A 546 -6.837 2.548 -1.292 1.00 47.59 C ATOM 2114 C ALA A 546 -6.426 3.194 -2.612 1.00 46.88 C ATOM 2115 O ALA A 546 -6.764 2.697 -3.685 1.00 47.20 O ATOM 2116 CB ALA A 546 -8.253 2.976 -0.924 1.00 47.96 C ATOM 2117 H ALA A 546 -6.242 3.477 0.573 1.00 0.00 H ATOM 2118 N HIS A 547 -5.720 4.291 -2.535 1.00 46.26 N ATOM 2119 CA HIS A 547 -5.200 4.938 -3.690 1.00 46.61 C ATOM 2120 C HIS A 547 -3.816 4.415 -3.994 1.00 51.32 C ATOM 2121 O HIS A 547 -3.110 5.010 -4.767 1.00 49.96 O ATOM 2122 CB HIS A 547 -5.144 6.434 -3.468 1.00 42.25 C ATOM 2123 CG HIS A 547 -6.479 7.076 -3.257 1.00 40.15 C ATOM 2124 ND1 HIS A 547 -7.250 7.540 -4.293 1.00 38.68 N ATOM 2125 CD2 HIS A 547 -7.157 7.368 -2.130 1.00 38.65 C ATOM 2126 CE1 HIS A 547 -8.345 8.079 -3.816 1.00 37.58 C ATOM 2127 NE2 HIS A 547 -8.314 7.984 -2.507 1.00 37.97 N ATOM 2128 H HIS A 547 -5.532 4.704 -1.599 1.00 0.00 H TER 2129 HIS A 547 HETATM 2130 O HOH 1 -18.030 32.560 -13.493 1.00 43.13 O HETATM 2131 O HOH 2 -25.556 16.261 2.048 1.00 36.58 O HETATM 2132 O HOH 3 -10.324 31.276 -7.292 1.00 43.48 O HETATM 2133 O HOH 4 0.796 28.414 -4.031 1.00 46.38 O HETATM 2134 O HOH 5 -10.715 19.197 -15.931 1.00 27.64 O HETATM 2135 O HOH 6 -14.632 -2.053 -3.213 1.00 40.92 O HETATM 2136 O HOH 7 -9.674 11.008 15.192 1.00 37.31 O HETATM 2137 O HOH 8 -10.979 11.219 -6.308 1.00 31.58 O HETATM 2138 O HOH 9 1.066 17.014 -3.031 1.00 35.40 O HETATM 2139 O HOH 10 -19.659 18.803 4.557 1.00 36.39 O HETATM 2140 O HOH 11 -20.572 14.838 4.092 1.00 39.99 O HETATM 2141 O HOH 12 -16.052 27.135 -11.959 1.00 35.42 O HETATM 2142 O HOH 13 -32.048 31.099 -21.960 1.00 40.89 O HETATM 2143 O HOH 14 -26.583 14.620 -15.367 1.00 30.78 O HETATM 2144 O HOH 15 -28.910 5.936 0.285 1.00 45.49 O HETATM 2145 O HOH 16 11.472 11.066 9.357 1.00 55.57 O HETATM 2146 O HOH 17 -25.820 10.633 -15.730 1.00 42.64 O HETATM 2147 O HOH 18 -10.726 11.533 -2.586 1.00 30.61 O HETATM 2148 O HOH 19 -31.147 7.960 9.335 1.00 62.60 O HETATM 2149 O HOH 20 -15.038 18.390 5.596 1.00 33.26 O HETATM 2150 O HOH 21 -1.099 28.800 17.102 1.00 46.32 O HETATM 2151 O HOH 22 3.804 11.309 -2.324 1.00 37.08 O HETATM 2152 O HOH 23 -16.419 8.409 -5.882 1.00 29.61 O HETATM 2153 O HOH 24 -16.015 17.577 17.555 1.00 31.87 O HETATM 2154 O HOH 25 -36.544 21.830 -0.501 1.00 39.26 O HETATM 2155 O HOH 26 -17.228 17.035 4.142 1.00 32.04 O HETATM 2156 O HOH 27 -33.772 28.538 -5.315 1.00 42.37 O HETATM 2157 O HOH 28 1.163 35.207 3.181 1.00 54.06 O HETATM 2158 O HOH 29 -18.072 14.379 7.911 1.00 34.64 O HETATM 2159 O HOH 30 -42.740 21.718 -3.029 1.00 57.50 O HETATM 2160 O HOH 31 -23.671 12.552 11.450 1.00 37.35 O HETATM 2161 O HOH 32 -23.666 11.739 9.287 1.00 39.30 O HETATM 2162 O HOH 33 -10.352 33.015 0.436 1.00 42.72 O HETATM 2163 O HOH 34 -17.402 12.313 16.362 1.00 29.23 O HETATM 2164 O HOH 35 -27.417 29.088 1.580 1.00 40.40 O HETATM 2165 O HOH 36 -36.850 28.327 -16.475 1.00 41.22 O HETATM 2166 O HOH 37 -7.128 3.022 14.770 1.00 45.88 O HETATM 2167 O HOH 38 -3.661 14.853 17.482 1.00 46.68 O HETATM 2168 O HOH 39 -0.767 26.936 -5.255 1.00 43.74 O HETATM 2169 O HOH 40 -24.511 13.726 -14.236 1.00 35.16 O HETATM 2170 O HOH 41 -24.525 31.546 1.199 1.00 46.29 O HETATM 2171 O HOH 42 -13.043 25.663 22.101 1.00 36.46 O HETATM 2172 O HOH 43 -3.853 30.881 -5.600 1.00 44.03 O HETATM 2173 O HOH 44 -18.272 15.018 4.975 1.00 32.24 O HETATM 2174 O HOH 45 -2.049 32.920 -4.259 1.00 44.71 O HETATM 2175 O HOH 46 -39.032 3.724 -6.373 1.00 56.66 O HETATM 2176 O HOH 47 -44.512 24.355 -5.737 1.00 51.42 O HETATM 2177 O HOH 48 -25.726 -5.439 10.405 1.00 49.18 O HETATM 2178 O HOH 49 -25.290 -10.733 7.069 1.00 30.00 O HETATM 2179 C ACE A 50 -12.161 -8.648 1.688 1.00 0.18 C HETATM 2180 O ACE A 50 -11.438 -9.608 1.440 1.00 -0.40 O HETATM 2181 CH3 ACE A 50 -12.921 -7.925 0.569 1.00 0.03 C HETATM 2182 H1 ACE A 50 -13.507 -7.099 0.998 1.00 0.05 H HETATM 2183 H2 ACE A 50 -13.597 -8.633 0.068 1.00 0.05 H HETATM 2184 H3 ACE A 50 -12.203 -7.524 -0.162 1.00 0.05 H HETATM 2185 N ACE A 50 -12.317 -8.171 2.923 1.00 -0.26 N HETATM 2186 CA ACE A 50 -13.148 -7.026 3.269 1.00 0.14 C HETATM 2187 C ACE A 50 -12.222 -5.873 3.696 1.00 0.21 C HETATM 2188 O ACE A 50 -11.093 -5.845 3.240 1.00 -0.39 O HETATM 2189 N ACE A 50 -12.727 -5.020 4.611 1.00 -0.26 N HETATM 2190 CA ACE A 50 -12.040 -3.840 5.136 1.00 0.13 C HETATM 2191 C ACE A 50 -12.855 -3.285 6.285 1.00 0.20 C HETATM 2192 O ACE A 50 -13.952 -3.731 6.506 1.00 -0.39 O HETATM 2193 N ACE A 50 -12.328 -2.303 7.014 1.00 -0.27 N HETATM 2194 CA ACE A 50 -13.068 -1.670 8.091 1.00 0.13 C HETATM 2195 C ACE A 50 -14.136 -0.936 7.587 1.00 0.23 C HETATM 2196 O ACE A 50 -15.190 -0.783 8.177 1.00 -0.34 O HETATM 2197 N ACE A 50 -13.978 -0.357 6.368 1.00 -0.26 N HETATM 2198 CA ACE A 50 -15.001 0.432 5.722 1.00 0.13 C HETATM 2199 C ACE A 50 -16.048 -0.387 5.344 1.00 0.20 C HETATM 2200 O ACE A 50 -17.187 -0.015 5.487 1.00 -0.39 O HETATM 2201 N ACE A 50 -15.858 -1.650 4.891 1.00 -0.26 N HETATM 2202 CA ACE A 50 -16.949 -2.553 4.545 1.00 0.14 C HETATM 2203 C ACE A 50 -17.780 -2.783 5.601 1.00 0.21 C HETATM 2204 O ACE A 50 -18.955 -2.899 5.378 1.00 -0.39 O HETATM 2205 N ACE A 50 -17.351 -2.897 6.914 1.00 -0.26 N HETATM 2206 CA ACE A 50 -18.306 -3.175 7.979 1.00 0.13 C HETATM 2207 C ACE A 50 -18.915 -2.060 8.357 1.00 0.20 C HETATM 2208 O ACE A 50 -20.054 -2.138 8.740 1.00 -0.39 O HETATM 2209 N ACE A 50 -18.262 -0.856 8.326 1.00 -0.27 N HETATM 2210 CA ACE A 50 -18.989 0.348 8.771 1.00 0.13 C HETATM 2211 C ACE A 50 -20.030 0.652 7.916 1.00 0.23 C HETATM 2212 O ACE A 50 -20.984 1.286 8.297 1.00 -0.34 O HETATM 2213 N ACE A 50 -19.942 0.315 6.605 1.00 -0.26 N HETATM 2214 CA ACE A 50 -20.999 0.622 5.682 1.00 0.13 C HETATM 2215 C ACE A 50 -22.003 -0.290 5.836 1.00 0.20 C HETATM 2216 O ACE A 50 -23.150 0.022 5.648 1.00 -0.39 O HETATM 2217 N ACE A 50 -21.733 -1.581 6.138 1.00 -0.26 N HETATM 2218 CA ACE A 50 -22.755 -2.622 6.303 1.00 0.13 C HETATM 2219 C ACE A 50 -23.444 -2.482 7.501 1.00 0.20 C HETATM 2220 O ACE A 50 -24.557 -2.983 7.598 1.00 -0.39 O HETATM 2221 N ACE A 50 -22.837 -1.966 8.613 1.00 -0.27 N HETATM 2222 CA ACE A 50 -23.512 -1.990 9.877 1.00 0.11 C HETATM 2223 C ACE A 50 -24.082 -0.760 10.082 1.00 0.06 C HETATM 2224 O ACE A 50 -25.295 -0.676 10.182 1.00 -0.57 O HETATM 2225 OXT ACE A 50 -23.363 0.223 10.160 1.00 -0.57 O HETATM 2226 CB ACE A 50 -22.497 -2.412 10.956 1.00 0.07 C HETATM 2227 CG ACE A 50 -22.316 -3.781 10.969 1.00 0.18 C HETATM 2228 NZ ACE A 50 -21.149 -4.377 11.318 1.00 -0.29 N HETATM 2229 CE ACE A 50 -20.008 -3.615 11.671 1.00 0.03 C HETATM 2230 CD ACE A 50 -18.836 -4.392 11.258 1.00 -0.03 C HETATM 2231 CG ACE A 50 -18.860 -4.562 9.808 1.00 -0.05 C HETATM 2232 CB ACE A 50 -17.734 -3.801 9.178 1.00 -0.01 C HETATM 2233 H55 ACE A 50 -17.355 -3.034 9.869 1.00 0.03 H HETATM 2234 H56 ACE A 50 -16.916 -4.483 8.903 1.00 0.03 H HETATM 2235 H57 ACE A 50 -18.757 -5.630 9.566 1.00 0.03 H HETATM 2236 H58 ACE A 50 -19.816 -4.188 9.414 1.00 0.03 H HETATM 2237 H59 ACE A 50 -17.919 -3.859 11.551 1.00 0.03 H HETATM 2238 H60 ACE A 50 -18.858 -5.378 11.745 1.00 0.03 H HETATM 2239 H61 ACE A 50 -20.023 -2.647 11.150 1.00 0.05 H HETATM 2240 H62 ACE A 50 -19.987 -3.446 12.758 1.00 0.05 H HETATM 2241 H63 ACE A 50 -21.093 -5.375 11.326 1.00 0.19 H HETATM 2242 OD1 ACE A 50 -23.222 -4.543 10.709 1.00 -0.40 O HETATM 2243 H96 ACE A 50 -22.867 -2.091 11.941 1.00 0.05 H HETATM 2244 H97 ACE A 50 -21.532 -1.925 10.750 1.00 0.05 H HETATM 2245 H95 ACE A 50 -24.316 -2.740 9.849 1.00 0.08 H HETATM 2246 H94 ACE A 50 -21.921 -1.571 8.544 1.00 0.19 H HETATM 2247 CB ACE A 50 -22.118 -4.017 6.291 1.00 0.00 C HETATM 2248 CG ACE A 50 -23.090 -5.148 6.578 1.00 0.04 C HETATM 2249 CD ACE A 50 -22.436 -6.510 6.670 1.00 0.17 C HETATM 2250 OE1 ACE A 50 -23.002 -7.394 7.494 1.00 -0.40 O HETATM 2251 NE2 ACE A 50 -21.395 -6.748 5.914 1.00 -0.30 N HETATM 2252 H92 ACE A 50 -20.942 -7.639 5.953 1.00 0.18 H HETATM 2253 H93 ACE A 50 -21.052 -6.039 5.297 1.00 0.18 H HETATM 2254 H90 ACE A 50 -23.837 -5.176 5.771 1.00 0.05 H HETATM 2255 H91 ACE A 50 -23.592 -4.939 7.535 1.00 0.05 H HETATM 2256 H88 ACE A 50 -21.326 -4.041 7.054 1.00 0.03 H HETATM 2257 H89 ACE A 50 -21.676 -4.186 5.298 1.00 0.03 H HETATM 2258 H87 ACE A 50 -23.468 -2.543 5.469 1.00 0.08 H HETATM 2259 H86 ACE A 50 -20.775 -1.843 6.256 1.00 0.19 H HETATM 2260 CB ACE A 50 -20.453 0.546 4.284 1.00 -0.01 C HETATM 2261 CG ACE A 50 -19.842 1.845 3.842 1.00 -0.04 C HETATM 2262 CD1 ACE A 50 -19.117 1.622 2.538 1.00 -0.06 C HETATM 2263 H80 ACE A 50 -18.665 2.567 2.204 1.00 0.02 H HETATM 2264 H81 ACE A 50 -19.829 1.268 1.778 1.00 0.02 H HETATM 2265 H82 ACE A 50 -18.328 0.869 2.681 1.00 0.02 H HETATM 2266 CD2 ACE A 50 -20.935 2.847 3.595 1.00 -0.06 C HETATM 2267 H83 ACE A 50 -21.483 3.030 4.531 1.00 0.02 H HETATM 2268 H84 ACE A 50 -21.628 2.455 2.836 1.00 0.02 H HETATM 2269 H85 ACE A 50 -20.495 3.789 3.237 1.00 0.02 H HETATM 2270 H79 ACE A 50 -19.147 2.218 4.609 1.00 0.03 H HETATM 2271 H77 ACE A 50 -21.273 0.288 3.597 1.00 0.03 H HETATM 2272 H78 ACE A 50 -19.683 -0.238 4.247 1.00 0.03 H HETATM 2273 H76 ACE A 50 -21.384 1.634 5.876 1.00 0.08 H HETATM 2274 H75 ACE A 50 -19.125 -0.157 6.274 1.00 0.19 H HETATM 2275 CB ACE A 50 -18.148 1.539 8.813 1.00 -0.02 C HETATM 2276 CG ACE A 50 -16.937 1.253 9.592 1.00 -0.04 C HETATM 2277 CD ACE A 50 -16.016 2.393 9.472 1.00 -0.04 C HETATM 2278 CE ACE A 50 -15.174 2.479 10.546 1.00 -0.10 C HETATM 2279 CE ACE A 50 -13.882 2.003 10.461 1.00 -0.10 C HETATM 2280 CD ACE A 50 -13.376 1.313 9.397 1.00 -0.04 C HETATM 2281 CG ACE A 50 -12.831 0.019 9.938 1.00 -0.04 C HETATM 2282 CB ACE A 50 -12.139 -0.762 8.824 1.00 -0.02 C HETATM 2283 H25 ACE A 50 -11.709 -0.046 8.108 1.00 0.03 H HETATM 2284 H26 ACE A 50 -11.334 -1.366 9.267 1.00 0.03 H HETATM 2285 H30 ACE A 50 -12.106 0.235 10.736 1.00 0.03 H HETATM 2286 H31 ACE A 50 -13.657 -0.582 10.345 1.00 0.03 H HETATM 2287 H27 ACE A 50 -12.572 1.891 8.918 1.00 0.04 H HETATM 2288 H28 ACE A 50 -14.171 1.112 8.663 1.00 0.04 H HETATM 2289 H29 ACE A 50 -13.218 2.191 11.303 1.00 0.04 H HETATM 2290 H69 ACE A 50 -15.526 2.926 11.475 1.00 0.04 H HETATM 2291 H67 ACE A 50 -15.416 2.272 8.558 1.00 0.04 H HETATM 2292 H68 ACE A 50 -16.604 3.320 9.405 1.00 0.04 H HETATM 2293 H70 ACE A 50 -16.453 0.345 9.203 1.00 0.03 H HETATM 2294 H71 ACE A 50 -17.204 1.103 10.649 1.00 0.03 H HETATM 2295 H65 ACE A 50 -18.702 2.363 9.286 1.00 0.03 H HETATM 2296 H66 ACE A 50 -17.866 1.826 7.789 1.00 0.03 H HETATM 2297 CB1 ACE A 50 -19.471 0.076 10.177 1.00 -0.03 C HETATM 2298 H72 ACE A 50 -20.022 0.952 10.552 1.00 0.02 H HETATM 2299 H73 ACE A 50 -18.607 -0.121 10.829 1.00 0.02 H HETATM 2300 H74 ACE A 50 -20.135 -0.801 10.174 1.00 0.02 H HETATM 2301 H64 ACE A 50 -17.315 -0.795 8.009 1.00 0.18 H HETATM 2302 H54 ACE A 50 -19.058 -3.864 7.569 1.00 0.08 H HETATM 2303 H53 ACE A 50 -16.381 -2.788 7.132 1.00 0.19 H HETATM 2304 CB ACE A 50 -16.379 -3.889 4.062 1.00 0.04 C HETATM 2305 CG ACE A 50 -17.403 -4.839 3.454 1.00 0.06 C HETATM 2306 ND1 ACE A 50 -17.977 -5.821 4.100 1.00 -0.26 N HETATM 2307 CE1 ACE A 50 -18.760 -6.413 3.244 1.00 0.09 C HETATM 2308 NE2 ACE A 50 -18.676 -5.807 2.089 1.00 -0.34 N HETATM 2309 CD2 ACE A 50 -17.817 -4.825 2.214 1.00 -0.03 C HETATM 2310 H51 ACE A 50 -17.508 -4.130 1.434 1.00 0.03 H HETATM 2311 H52 ACE A 50 -19.387 -7.278 3.457 1.00 0.11 H HETATM 2312 H50 ACE A 50 -17.838 -6.075 5.088 1.00 0.24 H HETATM 2313 H48 ACE A 50 -15.913 -4.393 4.922 1.00 0.05 H HETATM 2314 H49 ACE A 50 -15.613 -3.679 3.301 1.00 0.05 H HETATM 2315 H47 ACE A 50 -17.533 -2.097 3.732 1.00 0.08 H HETATM 2316 H46 ACE A 50 -14.920 -1.980 4.789 1.00 0.19 H HETATM 2317 CB ACE A 50 -14.326 1.129 4.555 1.00 -0.01 C HETATM 2318 CG ACE A 50 -14.918 2.424 4.050 1.00 -0.04 C HETATM 2319 CD1 ACE A 50 -15.299 2.157 2.641 1.00 -0.06 C HETATM 2320 H40 ACE A 50 -15.742 3.064 2.203 1.00 0.02 H HETATM 2321 H41 ACE A 50 -16.033 1.338 2.608 1.00 0.02 H HETATM 2322 H42 ACE A 50 -14.405 1.871 2.067 1.00 0.02 H HETATM 2323 CD2 ACE A 50 -16.162 2.851 4.757 1.00 -0.06 C HETATM 2324 H43 ACE A 50 -15.930 3.062 5.811 1.00 0.02 H HETATM 2325 H44 ACE A 50 -16.911 2.047 4.700 1.00 0.02 H HETATM 2326 H45 ACE A 50 -16.561 3.759 4.281 1.00 0.02 H HETATM 2327 H39 ACE A 50 -14.167 3.225 4.115 1.00 0.03 H HETATM 2328 H37 ACE A 50 -14.323 0.422 3.712 1.00 0.03 H HETATM 2329 H38 ACE A 50 -13.290 1.342 4.859 1.00 0.03 H HETATM 2330 H36 ACE A 50 -15.386 1.190 6.420 1.00 0.08 H HETATM 2331 H35 ACE A 50 -13.107 -0.484 5.893 1.00 0.19 H HETATM 2332 CB1 ACE A 50 -13.548 -2.759 9.002 1.00 -0.03 C HETATM 2333 H32 ACE A 50 -14.116 -2.317 9.834 1.00 0.02 H HETATM 2334 H33 ACE A 50 -12.684 -3.312 9.400 1.00 0.02 H HETATM 2335 H34 ACE A 50 -14.197 -3.447 8.441 1.00 0.02 H HETATM 2336 H24 ACE A 50 -11.398 -1.994 6.814 1.00 0.18 H HETATM 2337 CB ACE A 50 -12.004 -2.778 4.041 1.00 -0.01 C HETATM 2338 CG ACE A 50 -10.806 -2.944 3.115 1.00 -0.04 C HETATM 2339 CD ACE A 50 -11.263 -3.171 1.686 1.00 -0.01 C HETATM 2340 CE ACE A 50 -10.716 -2.065 0.795 1.00 -0.04 C HETATM 2341 NZ ACE A 50 -10.813 -2.346 -0.644 1.00 0.22 N HETATM 2342 H21 ACE A 50 -10.432 -1.571 -1.164 1.00 0.20 H HETATM 2343 H22 ACE A 50 -11.780 -2.477 -0.896 1.00 0.20 H HETATM 2344 H23 ACE A 50 -10.293 -3.182 -0.859 1.00 0.20 H HETATM 2345 H19 ACE A 50 -9.656 -1.913 1.046 1.00 0.08 H HETATM 2346 H20 ACE A 50 -11.278 -1.143 1.005 1.00 0.08 H HETATM 2347 H17 ACE A 50 -12.362 -3.163 1.647 1.00 0.03 H HETATM 2348 H18 ACE A 50 -10.891 -4.144 1.333 1.00 0.03 H HETATM 2349 H15 ACE A 50 -10.210 -3.808 3.446 1.00 0.03 H HETATM 2350 H16 ACE A 50 -10.188 -2.035 3.157 1.00 0.03 H HETATM 2351 H13 ACE A 50 -11.952 -1.785 4.512 1.00 0.03 H HETATM 2352 H14 ACE A 50 -12.925 -2.853 3.445 1.00 0.03 H HETATM 2353 H12 ACE A 50 -11.023 -4.097 5.466 1.00 0.08 H HETATM 2354 H11 ACE A 50 -13.645 -5.210 4.958 1.00 0.19 H HETATM 2355 CB ACE A 50 -14.128 -7.472 4.342 1.00 0.04 C HETATM 2356 CG ACE A 50 -13.522 -7.375 5.730 1.00 0.06 C HETATM 2357 ND1 ACE A 50 -14.119 -6.837 6.765 1.00 -0.26 N HETATM 2358 CE1 ACE A 50 -13.236 -6.943 7.751 1.00 0.09 C HETATM 2359 NE2 ACE A 50 -12.132 -7.516 7.290 1.00 -0.34 N HETATM 2360 CD2 ACE A 50 -12.301 -7.781 6.020 1.00 -0.03 C HETATM 2361 H9 ACE A 50 -11.583 -8.241 5.343 1.00 0.03 H HETATM 2362 H10 ACE A 50 -13.393 -6.612 8.776 1.00 0.11 H HETATM 2363 H8 ACE A 50 -15.062 -6.424 6.805 1.00 0.24 H HETATM 2364 H6 ACE A 50 -14.415 -8.516 4.151 1.00 0.05 H HETATM 2365 H7 ACE A 50 -15.021 -6.832 4.297 1.00 0.05 H HETATM 2366 H5 ACE A 50 -13.720 -6.703 2.387 1.00 0.08 H HETATM 2367 H4 ACE A 50 -11.829 -8.632 3.664 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 207 208 213 214 215 CONECT 214 207 CONECT 215 207 CONECT 1367 1368 1375 1376 1377 CONECT 1375 1367 CONECT 1376 1367 CONECT 1377 1367 CONECT 2179 2180 2181 2185 CONECT 2180 2179 CONECT 2181 2179 2182 2183 2184 CONECT 2182 2181 CONECT 2183 2181 CONECT 2184 2181 CONECT 2185 2179 2186 2367 CONECT 2186 2185 2187 2355 2366 CONECT 2187 2186 2188 2189 CONECT 2188 2187 CONECT 2189 2187 2190 2354 CONECT 2190 2189 2191 2337 2353 CONECT 2191 2190 2192 2193 CONECT 2192 2191 CONECT 2193 2191 2194 2336 CONECT 2194 2193 2195 2282 2332 CONECT 2195 2194 2196 2197 CONECT 2196 2195 CONECT 2197 2195 2198 2331 CONECT 2198 2197 2199 2317 2330 CONECT 2199 2198 2200 2201 CONECT 2200 2199 CONECT 2201 2199 2202 2316 CONECT 2202 2201 2203 2304 2315 CONECT 2203 2202 2204 2205 CONECT 2204 2203 CONECT 2205 2203 2206 2303 CONECT 2206 2205 2207 2232 2302 CONECT 2207 2206 2208 2209 CONECT 2208 2207 CONECT 2209 2207 2210 2301 CONECT 2210 2209 2211 2275 2297 CONECT 2211 2210 2212 2213 CONECT 2212 2211 CONECT 2213 2211 2214 2274 CONECT 2214 2213 2215 2260 2273 CONECT 2215 2214 2216 2217 CONECT 2216 2215 CONECT 2217 2215 2218 2259 CONECT 2218 2217 2219 2247 2258 CONECT 2219 2218 2220 2221 CONECT 2220 2219 CONECT 2221 2219 2222 2246 CONECT 2222 2221 2223 2226 2245 CONECT 2223 2222 2224 2225 CONECT 2224 2223 CONECT 2225 2223 CONECT 2226 2222 2227 2243 2244 CONECT 2227 2226 2228 2242 CONECT 2228 2227 2229 2241 CONECT 2229 2228 2230 2239 2240 CONECT 2230 2229 2231 2237 2238 CONECT 2231 2230 2232 2235 2236 CONECT 2232 2206 2231 2233 2234 CONECT 2233 2232 CONECT 2234 2232 CONECT 2235 2231 CONECT 2236 2231 CONECT 2237 2230 CONECT 2238 2230 CONECT 2239 2229 CONECT 2240 2229 CONECT 2241 2228 CONECT 2242 2227 CONECT 2243 2226 CONECT 2244 2226 CONECT 2245 2222 CONECT 2246 2221 CONECT 2247 2218 2248 2256 2257 CONECT 2248 2247 2249 2254 2255 CONECT 2249 2248 2250 2251 CONECT 2250 2249 CONECT 2251 2249 2252 2253 CONECT 2252 2251 CONECT 2253 2251 CONECT 2254 2248 CONECT 2255 2248 CONECT 2256 2247 CONECT 2257 2247 CONECT 2258 2218 CONECT 2259 2217 CONECT 2260 2214 2261 2271 2272 CONECT 2261 2260 2262 2266 2270 CONECT 2262 2261 2263 2264 2265 CONECT 2263 2262 CONECT 2264 2262 CONECT 2265 2262 CONECT 2266 2261 2267 2268 2269 CONECT 2267 2266 CONECT 2268 2266 CONECT 2269 2266 CONECT 2270 2261 CONECT 2271 2260 CONECT 2272 2260 CONECT 2273 2214 CONECT 2274 2213 CONECT 2275 2210 2276 2295 2296 CONECT 2276 2275 2277 2293 2294 CONECT 2277 2276 2278 2291 2292 CONECT 2278 2277 2279 2290 CONECT 2279 2278 2280 2289 CONECT 2280 2279 2281 2287 2288 CONECT 2281 2280 2282 2285 2286 CONECT 2282 2194 2281 2283 2284 CONECT 2283 2282 CONECT 2284 2282 CONECT 2285 2281 CONECT 2286 2281 CONECT 2287 2280 CONECT 2288 2280 CONECT 2289 2279 CONECT 2290 2278 CONECT 2291 2277 CONECT 2292 2277 CONECT 2293 2276 CONECT 2294 2276 CONECT 2295 2275 CONECT 2296 2275 CONECT 2297 2210 2298 2299 2300 CONECT 2298 2297 CONECT 2299 2297 CONECT 2300 2297 CONECT 2301 2209 CONECT 2302 2206 CONECT 2303 2205 CONECT 2304 2202 2305 2313 2314 CONECT 2305 2304 2306 2309 CONECT 2306 2305 2307 2312 CONECT 2307 2306 2308 2311 CONECT 2308 2307 2309 CONECT 2309 2305 2308 2310 CONECT 2310 2309 CONECT 2311 2307 CONECT 2312 2306 CONECT 2313 2304 CONECT 2314 2304 CONECT 2315 2202 CONECT 2316 2201 CONECT 2317 2198 2318 2328 2329 CONECT 2318 2317 2319 2323 2327 CONECT 2319 2318 2320 2321 2322 CONECT 2320 2319 CONECT 2321 2319 CONECT 2322 2319 CONECT 2323 2318 2324 2325 2326 CONECT 2324 2323 CONECT 2325 2323 CONECT 2326 2323 CONECT 2327 2318 CONECT 2328 2317 CONECT 2329 2317 CONECT 2330 2198 CONECT 2331 2197 CONECT 2332 2194 2333 2334 2335 CONECT 2333 2332 CONECT 2334 2332 CONECT 2335 2332 CONECT 2336 2193 CONECT 2337 2190 2338 2351 2352 CONECT 2338 2337 2339 2349 2350 CONECT 2339 2338 2340 2347 2348 CONECT 2340 2339 2341 2345 2346 CONECT 2341 2340 2342 2343 2344 CONECT 2342 2341 CONECT 2343 2341 CONECT 2344 2341 CONECT 2345 2340 CONECT 2346 2340 CONECT 2347 2339 CONECT 2348 2339 CONECT 2349 2338 CONECT 2350 2338 CONECT 2351 2337 CONECT 2352 2337 CONECT 2353 2190 CONECT 2354 2189 CONECT 2355 2186 2356 2364 2365 CONECT 2356 2355 2357 2360 CONECT 2357 2356 2358 2363 CONECT 2358 2357 2359 2362 CONECT 2359 2358 2360 CONECT 2360 2356 2359 2361 CONECT 2361 2360 CONECT 2362 2358 CONECT 2363 2357 CONECT 2364 2355 CONECT 2365 2355 CONECT 2366 2186 CONECT 2367 2185 MASTER 0 0 0 0 0 0 0 0 2364 3 200 19 END
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Entry Information
PDB ID
5wgq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Estrogen receptor
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.33uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Org. Biomol. Chem. Vol. 16: pp. 3702-3706
Ligand Properties
Formula
C
6
1
H
9
8
N
1
7
O
1
4
Molecular Weight
1293.540
Exact Mass
1292.750
No. of atoms
190
No. of bonds
193
Polar Surface Area
485.49
LOGP Value
-1.78 (
Computed with XLOGP3
)
2.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@@]1(C)CCC/C=C\CCC[C@]2(C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1[nH]cnc1)CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(C)C)CCC(=O)N)C(=O)O)NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)C
InChI String
InChI=1S/C61H97N17O14/c1-35(2)26-43-51(83)72-42(20-21-48(63)80)50(82)74-47(57(89)90)30-49(81)66-25-17-13-19-41-56(88)78-60(6,58(91)75-43)22-14-10-8-9-11-15-23-61(7,59(92)76-44(27-36(3)4)52(84)73-46(54(86)71-41)29-39-32-65-34-68-39)77-55(87)40(18-12-16-24-62)70-53(85)45(69-37(5)79)28-38-31-64-33-67-38/h8-9,31-36,40-47H,10-30,62H2,1-7H3,(H2,63,80)(H,64,67)(H,65,68)(H,66,81)(H,69,79)(H,70,85)(H,71,86)(H,72,83)(H,73,84)(H,74,82)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,89,90)/p+1/b9-8-/t40-,41-,42-,43-,44-,45-,46-,47-,60-,61-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03372
Q15596
Entrez Gene ID
NCBI Entrez Gene ID:
2099
10499
ASD
Information of known allosteric effects of PDB entries
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