Browse entries in the PDBbind-CN Database
HEADER 5IA4_COMPLEX COMPND 5IA4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 29 THR THR GLU ILE HIS PRO SER CYS VAL THR ARG GLN LYS SEQRES 2 A 29 VAL ILE GLY ALA GLY GLU PHE GLY GLU VAL TYR LYS GLY SEQRES 3 A 29 MET LEU LYS SEQRES 1 A 240 LYS LYS GLU VAL PRO VAL ALA ILE LYS THR LEU LYS ALA SEQRES 2 A 240 GLY TYR THR GLU LYS GLN ARG VAL ASP PHE LEU GLY GLU SEQRES 3 A 240 ALA GLY ILE MET GLY GLN PHE SER HIS HIS ASN ILE ILE SEQRES 4 A 240 ARG LEU GLU GLY VAL ILE SER LYS TYR LYS PRO MET MET SEQRES 5 A 240 ILE ILE THR GLU TYR MET GLU ASN GLY ALA LEU ASP LYS SEQRES 6 A 240 PHE LEU ARG GLU LYS ASP GLY GLU PHE SER VAL LEU GLN SEQRES 7 A 240 LEU VAL GLY MET LEU ARG GLY ILE ALA ALA GLY MET LYS SEQRES 8 A 240 TYR LEU ALA ASN MET ASN TYR VAL HIS ARG ASP LEU ALA SEQRES 9 A 240 ALA ARG ASN ILE LEU VAL ASN SER ASN LEU VAL CYS LYS SEQRES 10 A 240 VAL SER ASP PHE GLY LEU SER ARG VAL LEU GLU ASP ASP SEQRES 11 A 240 PRO GLU ALA THR TYR THR THR SER GLY GLY LYS ILE PRO SEQRES 12 A 240 ILE ARG TRP THR ALA PRO GLU ALA ILE SER TYR ARG LYS SEQRES 13 A 240 PHE THR SER ALA SER ASP VAL TRP SER PHE GLY ILE VAL SEQRES 14 A 240 MET TRP GLU VAL MET THR TYR GLY GLU ARG PRO TYR TRP SEQRES 15 A 240 GLU LEU SER ASN HIS GLU VAL MET LYS ALA ILE ASN ASP SEQRES 16 A 240 GLY PHE ARG LEU PRO THR PRO MET ASP CYS PRO SER ALA SEQRES 17 A 240 ILE TYR GLN LEU MET MET GLN CYS TRP GLN GLN GLU ARG SEQRES 18 A 240 ALA ARG ARG PRO LYS PHE ALA ASP ILE VAL SER ILE LEU SEQRES 19 A 240 ASP LYS LEU ILE ARG ALA HET UNN A 401 81 ATOM 1 N THR A 605 19.817 -20.091 116.977 1.00 65.07 N ATOM 2 CA THR A 605 19.430 -19.620 115.648 1.00 56.74 C ATOM 3 C THR A 605 18.736 -20.708 114.852 1.00 55.42 C ATOM 4 O THR A 605 19.326 -21.753 114.578 1.00 52.80 O ATOM 5 CB THR A 605 20.636 -19.136 114.843 1.00 56.82 C ATOM 6 OG1 THR A 605 21.380 -18.192 115.621 1.00 52.56 O ATOM 7 CG2 THR A 605 20.169 -18.492 113.535 1.00 50.03 C ATOM 8 HG1 THR A 605 20.801 -17.421 115.845 1.00 0.00 H ATOM 9 HN3 THR A 605 20.468 -20.896 116.882 1.00 0.00 H ATOM 10 HN2 THR A 605 18.968 -20.390 117.498 1.00 0.00 H ATOM 11 HN1 THR A 605 20.289 -19.321 117.493 1.00 0.00 H ATOM 12 N THR A 606 17.491 -20.447 114.463 1.00 51.64 N ATOM 13 CA THR A 606 16.671 -21.472 113.830 1.00 54.25 C ATOM 14 C THR A 606 17.216 -21.831 112.456 1.00 52.40 C ATOM 15 O THR A 606 17.476 -20.953 111.628 1.00 43.43 O ATOM 16 CB THR A 606 15.227 -20.991 113.701 1.00 50.38 C ATOM 17 OG1 THR A 606 14.776 -20.496 114.966 1.00 60.19 O ATOM 18 CG2 THR A 606 14.330 -22.138 113.253 1.00 56.32 C ATOM 19 HG1 THR A 606 15.352 -19.742 115.249 1.00 0.00 H ATOM 20 H THR A 606 17.097 -19.496 114.613 1.00 0.00 H ATOM 21 N GLU A 607 17.388 -23.126 112.208 1.00 44.10 N ATOM 22 CA GLU A 607 17.711 -23.606 110.874 1.00 46.64 C ATOM 23 C GLU A 607 16.397 -23.877 110.156 1.00 46.69 C ATOM 24 O GLU A 607 15.549 -24.616 110.664 1.00 51.45 O ATOM 25 CB GLU A 607 18.584 -24.863 110.923 1.00 45.04 C ATOM 26 CG GLU A 607 18.917 -25.434 109.543 1.00 41.80 C ATOM 27 CD GLU A 607 20.180 -24.847 108.914 1.00 34.13 C ATOM 28 OE1 GLU A 607 20.960 -24.176 109.620 1.00 43.87 O ATOM 29 OE2 GLU A 607 20.399 -25.059 107.700 1.00 41.28 O ATOM 30 H GLU A 607 17.289 -23.810 112.985 1.00 0.00 H ATOM 31 N ILE A 608 16.215 -23.268 109.010 1.00 38.04 N ATOM 32 CA ILE A 608 14.967 -23.404 108.272 1.00 40.69 C ATOM 33 C ILE A 608 15.126 -24.523 107.258 1.00 39.66 C ATOM 34 O ILE A 608 16.190 -24.686 106.654 1.00 42.94 O ATOM 35 CB ILE A 608 14.576 -22.077 107.594 1.00 39.10 C ATOM 36 CG1 ILE A 608 14.416 -20.987 108.651 1.00 42.13 C ATOM 37 CG2 ILE A 608 13.265 -22.224 106.816 1.00 40.97 C ATOM 38 CD1 ILE A 608 14.040 -19.653 108.071 1.00 46.84 C ATOM 39 H ILE A 608 16.976 -22.676 108.620 1.00 0.00 H ATOM 40 N HIS A 609 14.086 -25.305 107.084 1.00 47.39 N ATOM 41 CA HIS A 609 14.168 -26.393 106.117 1.00 51.21 C ATOM 42 C HIS A 609 13.971 -25.842 104.710 1.00 44.05 C ATOM 43 O HIS A 609 13.032 -25.079 104.479 1.00 37.89 O ATOM 44 CB HIS A 609 13.120 -27.452 106.430 1.00 54.80 C ATOM 45 CG HIS A 609 12.964 -27.721 107.894 1.00 60.89 C ATOM 46 ND1 HIS A 609 11.755 -27.613 108.548 1.00 65.38 N ATOM 47 CD2 HIS A 609 13.872 -28.068 108.837 1.00 64.47 C ATOM 48 CE1 HIS A 609 11.923 -27.897 109.828 1.00 69.12 C ATOM 49 NE2 HIS A 609 13.198 -28.177 110.029 1.00 68.35 N ATOM 50 H HIS A 609 13.214 -25.150 107.629 1.00 0.00 H ATOM 51 N PRO A 610 14.834 -26.190 103.760 1.00 39.51 N ATOM 52 CA PRO A 610 14.707 -25.635 102.403 1.00 34.06 C ATOM 53 C PRO A 610 13.341 -25.820 101.771 1.00 41.16 C ATOM 54 O PRO A 610 12.965 -25.033 100.893 1.00 38.33 O ATOM 55 CB PRO A 610 15.796 -26.388 101.624 1.00 41.72 C ATOM 56 CG PRO A 610 16.832 -26.691 102.659 1.00 38.15 C ATOM 57 CD PRO A 610 16.074 -26.968 103.932 1.00 42.34 C ATOM 58 N SER A 611 12.579 -26.837 102.185 1.00 33.51 N ATOM 59 CA SER A 611 11.240 -27.015 101.647 1.00 32.15 C ATOM 60 C SER A 611 10.274 -25.930 102.120 1.00 34.96 C ATOM 61 O SER A 611 9.211 -25.760 101.518 1.00 38.03 O ATOM 62 CB SER A 611 10.706 -28.393 102.044 1.00 32.91 C ATOM 63 OG SER A 611 10.857 -28.563 103.449 1.00 39.49 O ATOM 64 HG SER A 611 10.513 -29.453 103.711 1.00 0.00 H ATOM 65 H SER A 611 12.945 -27.503 102.895 1.00 0.00 H ATOM 66 N CYS A 612 10.619 -25.198 103.170 1.00 39.04 N ATOM 67 CA CYS A 612 9.754 -24.149 103.691 1.00 34.69 C ATOM 68 C CYS A 612 9.975 -22.789 103.033 1.00 36.90 C ATOM 69 O CYS A 612 9.217 -21.858 103.315 1.00 38.59 O ATOM 70 CB CYS A 612 9.953 -24.013 105.199 1.00 39.90 C ATOM 71 SG CYS A 612 9.417 -25.462 106.129 1.00 54.13 S ATOM 72 H CYS A 612 11.532 -25.378 103.634 1.00 0.00 H ATOM 73 N VAL A 613 10.963 -22.656 102.156 1.00 34.26 N ATOM 74 CA VAL A 613 11.352 -21.369 101.586 1.00 37.03 C ATOM 75 C VAL A 613 11.265 -21.448 100.072 1.00 45.38 C ATOM 76 O VAL A 613 11.760 -22.403 99.464 1.00 40.38 O ATOM 77 CB VAL A 613 12.777 -20.974 102.000 1.00 37.05 C ATOM 78 CG1 VAL A 613 13.066 -19.535 101.543 1.00 37.16 C ATOM 79 CG2 VAL A 613 12.945 -21.107 103.483 1.00 41.74 C ATOM 80 H VAL A 613 11.483 -23.507 101.862 1.00 0.00 H ATOM 81 N THR A 614 10.663 -20.438 99.461 1.00 32.98 N ATOM 82 CA THR A 614 10.723 -20.286 98.015 1.00 33.59 C ATOM 83 C THR A 614 11.251 -18.896 97.694 1.00 40.06 C ATOM 84 O THR A 614 10.747 -17.907 98.226 1.00 34.36 O ATOM 85 CB THR A 614 9.358 -20.507 97.376 1.00 41.89 C ATOM 86 OG1 THR A 614 8.468 -19.481 97.806 1.00 52.63 O ATOM 87 CG2 THR A 614 8.780 -21.851 97.809 1.00 47.20 C ATOM 88 HG1 THR A 614 8.825 -18.599 97.532 1.00 0.00 H ATOM 89 H THR A 614 10.138 -19.740 100.026 1.00 0.00 H ATOM 90 N ARG A 615 12.276 -18.831 96.849 1.00 36.13 N ATOM 91 CA ARG A 615 12.783 -17.568 96.321 1.00 45.23 C ATOM 92 C ARG A 615 11.994 -17.187 95.079 1.00 44.72 C ATOM 93 O ARG A 615 11.865 -17.991 94.154 1.00 51.09 O ATOM 94 CB ARG A 615 14.259 -17.680 95.953 1.00 40.29 C ATOM 95 CG ARG A 615 15.216 -17.576 97.100 1.00 41.96 C ATOM 96 CD ARG A 615 16.621 -17.749 96.565 1.00 47.62 C ATOM 97 NE ARG A 615 16.829 -19.109 96.071 1.00 55.05 N ATOM 98 CZ ARG A 615 17.880 -19.493 95.355 1.00 55.53 C ATOM 99 NH1 ARG A 615 18.824 -18.617 95.034 1.00 53.60 N ATOM 100 NH2 ARG A 615 17.986 -20.751 94.956 1.00 58.30 N ATOM 101 HE ARG A 615 16.107 -19.823 96.295 1.00 0.00 H ATOM 102 HH12 ARG A 615 19.646 -18.920 94.473 1.00 0.00 H ATOM 103 HH11 ARG A 615 18.742 -17.627 95.343 1.00 0.00 H ATOM 104 HH22 ARG A 615 18.809 -21.051 94.395 1.00 0.00 H ATOM 105 HH21 ARG A 615 17.246 -21.439 95.203 1.00 0.00 H ATOM 106 H ARG A 615 12.735 -19.716 96.552 1.00 0.00 H ATOM 107 N GLN A 616 11.504 -15.953 95.037 1.00 37.91 N ATOM 108 CA GLN A 616 10.627 -15.538 93.955 1.00 38.69 C ATOM 109 C GLN A 616 11.237 -14.539 92.984 1.00 51.39 C ATOM 110 O GLN A 616 10.925 -14.587 91.792 1.00 51.84 O ATOM 111 CB GLN A 616 9.342 -14.944 94.532 1.00 40.19 C ATOM 112 CG GLN A 616 8.583 -15.941 95.370 1.00 48.62 C ATOM 113 CD GLN A 616 7.439 -15.307 96.107 1.00 47.56 C ATOM 114 OE1 GLN A 616 7.647 -14.486 96.994 1.00 51.77 O ATOM 115 NE2 GLN A 616 6.217 -15.689 95.752 1.00 56.68 N ATOM 116 HE22 GLN A 616 6.091 -16.389 94.993 1.00 0.00 H ATOM 117 HE21 GLN A 616 5.387 -15.288 96.233 1.00 0.00 H ATOM 118 H GLN A 616 11.751 -15.276 95.787 1.00 0.00 H ATOM 119 N LYS A 617 12.098 -13.643 93.452 1.00 41.02 N ATOM 120 CA LYS A 617 12.499 -12.502 92.643 1.00 42.09 C ATOM 121 C LYS A 617 13.729 -11.898 93.289 1.00 41.07 C ATOM 122 O LYS A 617 13.723 -11.668 94.501 1.00 36.01 O ATOM 123 CB LYS A 617 11.352 -11.479 92.582 1.00 48.30 C ATOM 124 CG LYS A 617 11.613 -10.237 91.767 1.00 58.16 C ATOM 125 CD LYS A 617 10.424 -9.269 91.857 1.00 51.94 C ATOM 126 CE LYS A 617 10.023 -9.018 93.302 1.00 56.23 C ATOM 127 NZ LYS A 617 9.002 -7.937 93.434 1.00 68.64 N ATOM 128 HZ1 LYS A 617 9.386 -7.050 93.050 1.00 0.00 H ATOM 129 HZ2 LYS A 617 8.147 -8.203 92.906 1.00 0.00 H ATOM 130 HZ3 LYS A 617 8.765 -7.807 94.438 1.00 0.00 H ATOM 131 H LYS A 617 12.490 -13.758 94.408 1.00 0.00 H ATOM 132 N VAL A 618 14.784 -11.668 92.509 1.00 37.53 N ATOM 133 CA VAL A 618 15.912 -10.934 93.060 1.00 35.29 C ATOM 134 C VAL A 618 15.528 -9.463 93.153 1.00 37.13 C ATOM 135 O VAL A 618 14.967 -8.881 92.213 1.00 39.87 O ATOM 136 CB VAL A 618 17.182 -11.143 92.225 1.00 40.60 C ATOM 137 CG1 VAL A 618 17.022 -10.578 90.811 1.00 46.23 C ATOM 138 CG2 VAL A 618 18.365 -10.512 92.935 1.00 38.34 C ATOM 139 H VAL A 618 14.801 -12.007 91.526 1.00 0.00 H ATOM 140 N ILE A 619 15.776 -8.863 94.310 1.00 34.27 N ATOM 141 CA ILE A 619 15.439 -7.462 94.522 1.00 32.07 C ATOM 142 C ILE A 619 16.663 -6.610 94.803 1.00 33.00 C ATOM 143 O ILE A 619 16.536 -5.379 94.886 1.00 41.98 O ATOM 144 CB ILE A 619 14.391 -7.290 95.643 1.00 33.16 C ATOM 145 CG1 ILE A 619 14.915 -7.791 96.984 1.00 33.41 C ATOM 146 CG2 ILE A 619 13.101 -8.006 95.285 1.00 38.50 C ATOM 147 CD1 ILE A 619 13.899 -7.611 98.091 1.00 30.37 C ATOM 148 H ILE A 619 16.219 -9.403 95.080 1.00 0.00 H ATOM 149 N GLY A 620 17.838 -7.214 94.959 1.00 33.69 N ATOM 150 CA GLY A 620 19.075 -6.470 95.092 1.00 37.56 C ATOM 151 C GLY A 620 20.262 -7.388 94.888 1.00 36.76 C ATOM 152 O GLY A 620 20.175 -8.593 95.147 1.00 39.11 O ATOM 153 H GLY A 620 17.870 -8.253 94.986 1.00 0.00 H ATOM 154 N ALA A 621 21.380 -6.847 94.421 1.00 38.00 N ATOM 155 CA ALA A 621 22.553 -7.690 94.237 1.00 35.32 C ATOM 156 C ALA A 621 23.800 -6.820 94.276 1.00 50.20 C ATOM 157 O ALA A 621 23.744 -5.604 94.069 1.00 46.51 O ATOM 158 CB ALA A 621 22.476 -8.495 92.933 1.00 39.77 C ATOM 159 H ALA A 621 21.418 -5.834 94.189 1.00 0.00 H ATOM 160 N GLY A 622 24.922 -7.470 94.568 1.00 51.84 N ATOM 161 CA GLY A 622 26.212 -6.826 94.698 1.00 60.94 C ATOM 162 C GLY A 622 27.271 -7.898 94.821 1.00 68.06 C ATOM 163 O GLY A 622 27.031 -9.047 94.430 1.00 65.92 O ATOM 164 H GLY A 622 24.870 -8.499 94.711 1.00 0.00 H ATOM 165 N GLU A 623 28.438 -7.547 95.374 1.00 79.55 N ATOM 166 CA GLU A 623 29.515 -8.521 95.534 1.00 81.70 C ATOM 167 C GLU A 623 29.369 -9.380 96.792 1.00 78.54 C ATOM 168 O GLU A 623 30.035 -10.417 96.904 1.00 81.87 O ATOM 169 CB GLU A 623 30.881 -7.817 95.487 1.00 85.80 C ATOM 170 CG GLU A 623 32.094 -8.705 95.569 1.00 92.57 C ATOM 171 CD GLU A 623 33.355 -7.974 95.472 1.00101.71 C ATOM 172 OE1 GLU A 623 33.309 -6.782 95.378 1.00104.86 O ATOM 173 OE2 GLU A 623 34.404 -8.580 95.472 1.00104.22 O ATOM 174 H GLU A 623 28.580 -6.568 95.694 1.00 0.00 H ATOM 175 N PHE A 624 28.518 -8.983 97.737 1.00 80.20 N ATOM 176 CA PHE A 624 28.174 -9.892 98.824 1.00 75.51 C ATOM 177 C PHE A 624 27.466 -11.137 98.309 1.00 76.34 C ATOM 178 O PHE A 624 27.669 -12.240 98.836 1.00 71.44 O ATOM 179 CB PHE A 624 27.289 -9.180 99.848 1.00 73.72 C ATOM 180 CG PHE A 624 25.979 -8.676 99.286 1.00 73.33 C ATOM 181 CD1 PHE A 624 25.880 -7.393 98.767 1.00 69.03 C ATOM 182 CD2 PHE A 624 24.853 -9.487 99.265 1.00 68.18 C ATOM 183 CE1 PHE A 624 24.673 -6.924 98.244 1.00 70.53 C ATOM 184 CE2 PHE A 624 23.646 -9.030 98.738 1.00 61.79 C ATOM 185 CZ PHE A 624 23.555 -7.748 98.228 1.00 60.66 C ATOM 186 H PHE A 624 28.102 -8.031 97.700 1.00 0.00 H ATOM 187 N GLY A 625 26.655 -10.977 97.271 1.00 67.47 N ATOM 188 CA GLY A 625 25.683 -11.966 96.861 1.00 63.47 C ATOM 189 C GLY A 625 24.420 -11.260 96.413 1.00 60.03 C ATOM 190 O GLY A 625 24.490 -10.237 95.725 1.00 54.12 O ATOM 191 H GLY A 625 26.722 -10.095 96.724 1.00 0.00 H ATOM 192 N GLU A 626 23.261 -11.768 96.821 1.00 46.76 N ATOM 193 CA GLU A 626 21.986 -11.238 96.361 1.00 39.85 C ATOM 194 C GLU A 626 20.982 -11.175 97.509 1.00 39.80 C ATOM 195 O GLU A 626 21.122 -11.852 98.532 1.00 36.60 O ATOM 196 CB GLU A 626 21.412 -12.089 95.214 1.00 42.97 C ATOM 197 CG GLU A 626 22.370 -12.343 94.037 1.00 46.07 C ATOM 198 CD GLU A 626 23.248 -13.564 94.245 1.00 57.29 C ATOM 199 OE1 GLU A 626 22.698 -14.648 94.536 1.00 55.47 O ATOM 200 OE2 GLU A 626 24.486 -13.445 94.121 1.00 65.00 O ATOM 201 H GLU A 626 23.266 -12.566 97.487 1.00 0.00 H ATOM 202 N VAL A 627 19.954 -10.349 97.327 1.00 35.16 N ATOM 203 CA VAL A 627 18.775 -10.352 98.185 1.00 32.12 C ATOM 204 C VAL A 627 17.564 -10.656 97.319 1.00 31.26 C ATOM 205 O VAL A 627 17.392 -10.059 96.247 1.00 32.08 O ATOM 206 CB VAL A 627 18.571 -9.014 98.924 1.00 28.34 C ATOM 207 CG1 VAL A 627 17.298 -9.090 99.790 1.00 29.22 C ATOM 208 CG2 VAL A 627 19.779 -8.680 99.777 1.00 34.46 C ATOM 209 H VAL A 627 19.994 -9.672 96.538 1.00 0.00 H ATOM 210 N TYR A 628 16.721 -11.562 97.795 1.00 32.81 N ATOM 211 CA TYR A 628 15.515 -11.984 97.102 1.00 28.73 C ATOM 212 C TYR A 628 14.293 -11.688 97.943 1.00 30.02 C ATOM 213 O TYR A 628 14.349 -11.706 99.179 1.00 32.49 O ATOM 214 CB TYR A 628 15.508 -13.497 96.822 1.00 31.38 C ATOM 215 CG TYR A 628 16.636 -13.977 95.958 1.00 31.22 C ATOM 216 CD1 TYR A 628 16.452 -14.190 94.599 1.00 39.81 C ATOM 217 CD2 TYR A 628 17.881 -14.250 96.505 1.00 36.72 C ATOM 218 CE1 TYR A 628 17.490 -14.643 93.806 1.00 36.52 C ATOM 219 CE2 TYR A 628 18.923 -14.699 95.724 1.00 41.41 C ATOM 220 CZ TYR A 628 18.723 -14.896 94.379 1.00 46.44 C ATOM 221 OH TYR A 628 19.765 -15.351 93.609 1.00 53.38 O ATOM 222 HH TYR A 628 20.515 -14.707 93.657 1.00 0.00 H ATOM 223 H TYR A 628 16.935 -11.995 98.716 1.00 0.00 H ATOM 224 N LYS A 629 13.179 -11.446 97.256 1.00 33.39 N ATOM 225 CA LYS A 629 11.862 -11.524 97.860 1.00 32.69 C ATOM 226 C LYS A 629 11.385 -12.966 97.749 1.00 30.74 C ATOM 227 O LYS A 629 11.557 -13.605 96.711 1.00 36.72 O ATOM 228 CB LYS A 629 10.887 -10.586 97.157 1.00 36.25 C ATOM 229 CG LYS A 629 9.420 -10.850 97.428 1.00 46.27 C ATOM 230 CD LYS A 629 9.050 -10.584 98.872 1.00 38.53 C ATOM 231 CE LYS A 629 7.522 -10.646 99.050 1.00 47.84 C ATOM 232 NZ LYS A 629 6.899 -11.908 98.544 1.00 48.23 N ATOM 233 HZ1 LYS A 629 7.094 -12.006 97.527 1.00 0.00 H ATOM 234 HZ2 LYS A 629 7.300 -12.720 99.055 1.00 0.00 H ATOM 235 HZ3 LYS A 629 5.871 -11.873 98.700 1.00 0.00 H ATOM 236 H LYS A 629 13.255 -11.192 96.250 1.00 0.00 H ATOM 237 N GLY A 630 10.816 -13.484 98.822 1.00 35.73 N ATOM 238 CA GLY A 630 10.354 -14.863 98.784 1.00 32.11 C ATOM 239 C GLY A 630 9.231 -15.100 99.763 1.00 34.71 C ATOM 240 O GLY A 630 8.707 -14.148 100.348 1.00 30.35 O ATOM 241 H GLY A 630 10.700 -12.913 99.684 1.00 0.00 H ATOM 242 N MET A 631 8.857 -16.366 99.963 1.00 31.82 N ATOM 243 CA MET A 631 7.809 -16.740 100.905 1.00 35.16 C ATOM 244 C MET A 631 8.335 -17.805 101.846 1.00 32.91 C ATOM 245 O MET A 631 9.145 -18.652 101.463 1.00 36.05 O ATOM 246 CB MET A 631 6.542 -17.292 100.216 1.00 37.88 C ATOM 247 CG MET A 631 5.919 -16.372 99.199 1.00 44.85 C ATOM 248 SD MET A 631 5.270 -14.839 99.908 1.00 42.41 S ATOM 249 CE MET A 631 4.035 -15.393 101.079 1.00 40.23 C ATOM 250 H MET A 631 9.333 -17.117 99.424 1.00 0.00 H ATOM 251 N LEU A 632 7.847 -17.767 103.079 1.00 32.00 N ATOM 252 CA LEU A 632 8.279 -18.694 104.113 1.00 31.54 C ATOM 253 C LEU A 632 7.056 -19.399 104.673 1.00 39.13 C ATOM 254 O LEU A 632 6.150 -18.750 105.196 1.00 35.58 O ATOM 255 CB LEU A 632 9.047 -17.964 105.217 1.00 29.30 C ATOM 256 CG LEU A 632 9.433 -18.854 106.399 1.00 39.78 C ATOM 257 CD1 LEU A 632 10.495 -19.843 105.977 1.00 33.85 C ATOM 258 CD2 LEU A 632 9.910 -18.012 107.561 1.00 37.90 C ATOM 259 H LEU A 632 7.131 -17.050 103.314 1.00 0.00 H ATOM 260 N LYS A 633 7.018 -20.720 104.537 1.00 37.36 N ATOM 261 CA LYS A 633 5.949 -21.519 105.115 1.00 41.38 C ATOM 262 C LYS A 633 6.455 -22.224 106.366 1.00 51.41 C ATOM 263 O LYS A 633 7.648 -22.292 106.625 1.00 58.93 O ATOM 264 CB LYS A 633 5.431 -22.549 104.101 1.00 51.19 C ATOM 265 CG LYS A 633 4.248 -23.382 104.619 1.00 63.92 C ATOM 266 CD LYS A 633 3.756 -24.342 103.556 1.00 68.22 C ATOM 267 CE LYS A 633 2.590 -25.211 104.041 1.00 72.82 C ATOM 268 NZ LYS A 633 2.066 -26.179 103.024 1.00 69.22 N ATOM 269 HZ1 LYS A 633 1.726 -25.656 102.192 1.00 0.00 H ATOM 270 HZ2 LYS A 633 2.828 -26.828 102.740 1.00 0.00 H ATOM 271 HZ3 LYS A 633 1.282 -26.723 103.437 1.00 0.00 H ATOM 272 H LYS A 633 7.773 -21.196 104.003 1.00 0.00 H TER 273 LYS A 633 ATOM 274 N LYS A 638 -0.124 -23.167 109.176 1.00 79.26 N ATOM 275 CA LYS A 638 0.245 -21.763 109.027 1.00 73.62 C ATOM 276 C LYS A 638 0.192 -21.281 107.569 1.00 73.09 C ATOM 277 O LYS A 638 0.512 -22.021 106.640 1.00 74.11 O ATOM 278 CB LYS A 638 1.636 -21.532 109.626 1.00 71.18 C ATOM 279 CG LYS A 638 1.719 -21.694 111.098 1.00 80.82 C ATOM 280 CD LYS A 638 3.119 -21.478 111.630 1.00 80.61 C ATOM 281 CE LYS A 638 3.152 -21.621 113.056 1.00 78.10 C ATOM 282 NZ LYS A 638 4.502 -21.447 113.665 1.00 72.90 N ATOM 283 HZ1 LYS A 638 5.152 -22.159 113.274 1.00 0.00 H ATOM 284 HZ2 LYS A 638 4.859 -20.494 113.448 1.00 0.00 H ATOM 285 HZ3 LYS A 638 4.434 -21.567 114.696 1.00 0.00 H ATOM 286 HN3 LYS A 638 0.530 -23.757 108.623 1.00 0.00 H ATOM 287 HN2 LYS A 638 -1.095 -23.308 108.831 1.00 0.00 H ATOM 288 HN1 LYS A 638 -0.070 -23.434 110.180 1.00 0.00 H ATOM 289 N LYS A 639 -0.251 -20.042 107.376 1.00 63.94 N ATOM 290 CA LYS A 639 -0.208 -19.412 106.064 1.00 65.85 C ATOM 291 C LYS A 639 1.179 -18.814 105.837 1.00 58.60 C ATOM 292 O LYS A 639 1.856 -18.398 106.780 1.00 56.16 O ATOM 293 CB LYS A 639 -1.298 -18.340 105.956 1.00 64.21 C ATOM 294 CG LYS A 639 -1.268 -17.505 104.686 1.00 60.49 C ATOM 295 CD LYS A 639 -2.191 -18.061 103.614 1.00 69.57 C ATOM 296 CE LYS A 639 -3.652 -17.914 103.998 1.00 69.18 C ATOM 297 NZ LYS A 639 -4.513 -18.948 103.354 1.00 72.54 N ATOM 298 HZ1 LYS A 639 -4.441 -18.863 102.320 1.00 0.00 H ATOM 299 HZ2 LYS A 639 -4.196 -19.894 103.648 1.00 0.00 H ATOM 300 HZ3 LYS A 639 -5.501 -18.806 103.647 1.00 0.00 H ATOM 301 H LYS A 639 -0.638 -19.510 108.182 1.00 0.00 H ATOM 302 N GLU A 640 1.611 -18.796 104.577 1.00 51.23 N ATOM 303 CA GLU A 640 2.975 -18.383 104.271 1.00 49.31 C ATOM 304 C GLU A 640 3.166 -16.885 104.494 1.00 46.79 C ATOM 305 O GLU A 640 2.223 -16.094 104.421 1.00 48.91 O ATOM 306 CB GLU A 640 3.346 -18.757 102.834 1.00 50.17 C ATOM 307 CG GLU A 640 2.238 -18.563 101.810 1.00 65.46 C ATOM 308 CD GLU A 640 2.744 -18.683 100.379 1.00 74.06 C ATOM 309 OE1 GLU A 640 2.306 -17.890 99.517 1.00 76.90 O ATOM 310 OE2 GLU A 640 3.589 -19.568 100.118 1.00 75.81 O ATOM 311 H GLU A 640 0.971 -19.078 103.807 1.00 0.00 H ATOM 312 N VAL A 641 4.415 -16.506 104.750 1.00 42.76 N ATOM 313 CA VAL A 641 4.789 -15.157 105.153 1.00 40.36 C ATOM 314 C VAL A 641 5.804 -14.627 104.150 1.00 36.32 C ATOM 315 O VAL A 641 6.707 -15.370 103.754 1.00 31.88 O ATOM 316 CB VAL A 641 5.374 -15.139 106.580 1.00 40.48 C ATOM 317 CG1 VAL A 641 6.337 -13.993 106.785 1.00 53.84 C ATOM 318 CG2 VAL A 641 4.243 -15.074 107.601 1.00 47.00 C ATOM 319 H VAL A 641 5.170 -17.215 104.657 1.00 0.00 H ATOM 320 N PRO A 642 5.702 -13.380 103.689 1.00 36.74 N ATOM 321 CA PRO A 642 6.760 -12.840 102.827 1.00 28.46 C ATOM 322 C PRO A 642 8.053 -12.649 103.607 1.00 34.77 C ATOM 323 O PRO A 642 8.046 -12.303 104.791 1.00 30.41 O ATOM 324 CB PRO A 642 6.190 -11.493 102.360 1.00 34.70 C ATOM 325 CG PRO A 642 5.242 -11.102 103.474 1.00 35.22 C ATOM 326 CD PRO A 642 4.639 -12.383 103.966 1.00 33.96 C ATOM 327 N VAL A 643 9.183 -12.879 102.933 1.00 31.61 N ATOM 328 CA VAL A 643 10.489 -12.761 103.571 1.00 29.44 C ATOM 329 C VAL A 643 11.492 -12.141 102.609 1.00 27.07 C ATOM 330 O VAL A 643 11.332 -12.185 101.388 1.00 30.20 O ATOM 331 CB VAL A 643 11.017 -14.122 104.079 1.00 28.74 C ATOM 332 CG1 VAL A 643 10.237 -14.568 105.303 1.00 29.49 C ATOM 333 CG2 VAL A 643 10.953 -15.197 102.959 1.00 28.08 C ATOM 334 H VAL A 643 9.130 -13.148 101.930 1.00 0.00 H ATOM 335 N ALA A 644 12.533 -11.526 103.182 1.00 27.57 N ATOM 336 CA ALA A 644 13.736 -11.237 102.420 1.00 24.67 C ATOM 337 C ALA A 644 14.725 -12.377 102.609 1.00 30.04 C ATOM 338 O ALA A 644 14.845 -12.949 103.700 1.00 26.50 O ATOM 339 CB ALA A 644 14.388 -9.924 102.855 1.00 27.36 C ATOM 340 H ALA A 644 12.481 -11.252 104.184 1.00 0.00 H ATOM 341 N ILE A 645 15.460 -12.682 101.554 1.00 26.68 N ATOM 342 CA ILE A 645 16.379 -13.814 101.574 1.00 28.19 C ATOM 343 C ILE A 645 17.706 -13.318 101.047 1.00 26.84 C ATOM 344 O ILE A 645 17.828 -13.005 99.858 1.00 30.62 O ATOM 345 CB ILE A 645 15.864 -14.999 100.749 1.00 29.04 C ATOM 346 CG1 ILE A 645 14.533 -15.495 101.312 1.00 29.09 C ATOM 347 CG2 ILE A 645 16.874 -16.146 100.753 1.00 31.13 C ATOM 348 CD1 ILE A 645 13.744 -16.319 100.332 1.00 37.21 C ATOM 349 H ILE A 645 15.382 -12.104 100.693 1.00 0.00 H ATOM 350 N LYS A 646 18.697 -13.271 101.918 1.00 23.35 N ATOM 351 CA LYS A 646 20.031 -12.795 101.596 1.00 25.61 C ATOM 352 C LYS A 646 20.940 -13.993 101.395 1.00 35.46 C ATOM 353 O LYS A 646 21.056 -14.833 102.288 1.00 30.84 O ATOM 354 CB LYS A 646 20.560 -11.919 102.724 1.00 27.95 C ATOM 355 CG LYS A 646 21.996 -11.458 102.555 1.00 34.38 C ATOM 356 CD LYS A 646 22.463 -10.796 103.843 1.00 38.31 C ATOM 357 CE LYS A 646 23.939 -10.413 103.794 1.00 43.91 C ATOM 358 NZ LYS A 646 24.411 -9.998 105.148 1.00 43.69 N ATOM 359 HZ1 LYS A 646 23.857 -9.179 105.471 1.00 0.00 H ATOM 360 HZ2 LYS A 646 24.286 -10.787 105.814 1.00 0.00 H ATOM 361 HZ3 LYS A 646 25.417 -9.740 105.099 1.00 0.00 H ATOM 362 H LYS A 646 18.512 -13.593 102.889 1.00 0.00 H ATOM 363 N THR A 647 21.590 -14.064 100.243 1.00 36.50 N ATOM 364 CA THR A 647 22.430 -15.210 99.920 1.00 39.57 C ATOM 365 C THR A 647 23.901 -14.830 99.940 1.00 45.93 C ATOM 366 O THR A 647 24.275 -13.655 99.880 1.00 47.06 O ATOM 367 CB THR A 647 22.086 -15.785 98.548 1.00 40.02 C ATOM 368 OG1 THR A 647 22.269 -14.765 97.556 1.00 42.23 O ATOM 369 CG2 THR A 647 20.651 -16.306 98.524 1.00 37.94 C ATOM 370 HG1 THR A 647 22.048 -15.131 96.663 1.00 0.00 H ATOM 371 H THR A 647 21.499 -13.288 99.557 1.00 0.00 H ATOM 372 N LEU A 648 24.735 -15.859 100.009 1.00 50.49 N ATOM 373 CA LEU A 648 26.180 -15.708 99.998 1.00 62.82 C ATOM 374 C LEU A 648 26.703 -15.925 98.583 1.00 69.79 C ATOM 375 O LEU A 648 26.297 -16.878 97.907 1.00 70.48 O ATOM 376 CB LEU A 648 26.821 -16.702 100.965 1.00 62.38 C ATOM 377 CG LEU A 648 28.215 -16.337 101.459 1.00 64.61 C ATOM 378 CD1 LEU A 648 28.244 -14.877 101.848 1.00 56.50 C ATOM 379 CD2 LEU A 648 28.603 -17.222 102.637 1.00 60.77 C ATOM 380 H LEU A 648 24.337 -16.817 100.074 1.00 0.00 H ATOM 381 N LYS A 649 27.596 -15.040 98.142 1.00 69.69 N ATOM 382 CA LYS A 649 28.192 -15.170 96.818 1.00 78.19 C ATOM 383 C LYS A 649 28.935 -16.491 96.674 1.00 80.85 C ATOM 384 O LYS A 649 29.578 -16.967 97.613 1.00 77.56 O ATOM 385 CB LYS A 649 29.149 -14.010 96.547 1.00 82.81 C ATOM 386 CG LYS A 649 29.828 -14.093 95.189 1.00 91.15 C ATOM 387 CD LYS A 649 28.835 -14.037 94.054 1.00 86.21 C ATOM 388 CE LYS A 649 29.557 -13.950 92.727 1.00 89.91 C ATOM 389 NZ LYS A 649 28.613 -14.110 91.588 1.00 89.26 N ATOM 390 HZ1 LYS A 649 28.148 -15.038 91.653 1.00 0.00 H ATOM 391 HZ2 LYS A 649 27.896 -13.358 91.626 1.00 0.00 H ATOM 392 HZ3 LYS A 649 29.138 -14.046 90.693 1.00 0.00 H ATOM 393 H LYS A 649 27.872 -14.244 98.752 1.00 0.00 H ATOM 394 N ALA A 650 28.845 -17.081 95.484 1.00 81.05 N ATOM 395 CA ALA A 650 29.585 -18.302 95.195 1.00 85.01 C ATOM 396 C ALA A 650 31.083 -18.031 95.246 1.00 88.05 C ATOM 397 O ALA A 650 31.567 -17.046 94.679 1.00 91.48 O ATOM 398 CB ALA A 650 29.187 -18.850 93.823 1.00 80.67 C ATOM 399 H ALA A 650 28.238 -16.664 94.750 1.00 0.00 H ATOM 400 N GLY A 651 31.812 -18.896 95.941 1.00 82.70 N ATOM 401 CA GLY A 651 33.240 -18.736 96.100 1.00 81.59 C ATOM 402 C GLY A 651 33.682 -18.088 97.393 1.00 87.51 C ATOM 403 O GLY A 651 34.825 -17.618 97.468 1.00 85.45 O ATOM 404 H GLY A 651 31.343 -19.712 96.384 1.00 0.00 H ATOM 405 N TYR A 652 32.820 -18.044 98.403 1.00 82.42 N ATOM 406 CA TYR A 652 33.179 -17.471 99.691 1.00 77.32 C ATOM 407 C TYR A 652 34.259 -18.304 100.374 1.00 74.00 C ATOM 408 O TYR A 652 34.350 -19.520 100.187 1.00 77.99 O ATOM 409 CB TYR A 652 31.941 -17.389 100.585 1.00 72.78 C ATOM 410 CG TYR A 652 31.152 -18.683 100.644 1.00 76.10 C ATOM 411 CD1 TYR A 652 30.064 -18.894 99.807 1.00 79.37 C ATOM 412 CD2 TYR A 652 31.496 -19.694 101.535 1.00 76.41 C ATOM 413 CE1 TYR A 652 29.339 -20.072 99.855 1.00 77.03 C ATOM 414 CE2 TYR A 652 30.778 -20.874 101.589 1.00 76.90 C ATOM 415 CZ TYR A 652 29.699 -21.057 100.748 1.00 78.37 C ATOM 416 OH TYR A 652 28.979 -22.229 100.802 1.00 80.06 O ATOM 417 HH TYR A 652 28.246 -22.195 100.138 1.00 0.00 H ATOM 418 H TYR A 652 31.863 -18.429 98.269 1.00 0.00 H ATOM 419 N THR A 653 35.085 -17.636 101.175 1.00 66.26 N ATOM 420 CA THR A 653 36.044 -18.349 102.002 1.00 65.59 C ATOM 421 C THR A 653 35.373 -18.840 103.278 1.00 66.81 C ATOM 422 O THR A 653 34.275 -18.409 103.642 1.00 68.46 O ATOM 423 CB THR A 653 37.234 -17.464 102.366 1.00 66.51 C ATOM 424 OG1 THR A 653 36.818 -16.475 103.318 1.00 62.97 O ATOM 425 CG2 THR A 653 37.799 -16.779 101.131 1.00 65.53 C ATOM 426 HG1 THR A 653 36.100 -15.919 102.923 1.00 0.00 H ATOM 427 H THR A 653 35.044 -16.597 101.210 1.00 0.00 H ATOM 428 N GLU A 654 36.059 -19.750 103.973 1.00 63.55 N ATOM 429 CA GLU A 654 35.546 -20.242 105.246 1.00 65.13 C ATOM 430 C GLU A 654 35.363 -19.112 106.254 1.00 59.32 C ATOM 431 O GLU A 654 34.447 -19.162 107.082 1.00 56.67 O ATOM 432 CB GLU A 654 36.477 -21.312 105.813 1.00 62.92 C ATOM 433 CG GLU A 654 35.814 -22.162 106.868 1.00 63.70 C ATOM 434 CD GLU A 654 34.598 -22.874 106.323 1.00 77.73 C ATOM 435 OE1 GLU A 654 34.726 -23.522 105.261 1.00 86.21 O ATOM 436 OE2 GLU A 654 33.514 -22.781 106.943 1.00 79.54 O ATOM 437 H GLU A 654 36.963 -20.109 103.605 1.00 0.00 H ATOM 438 N LYS A 655 36.227 -18.092 106.210 1.00 61.31 N ATOM 439 CA LYS A 655 36.014 -16.916 107.048 1.00 59.60 C ATOM 440 C LYS A 655 34.702 -16.228 106.697 1.00 56.07 C ATOM 441 O LYS A 655 33.945 -15.825 107.587 1.00 50.20 O ATOM 442 CB LYS A 655 37.175 -15.934 106.901 1.00 55.34 C ATOM 443 CG LYS A 655 36.925 -14.591 107.576 1.00 55.31 C ATOM 444 CD LYS A 655 38.201 -14.009 108.163 1.00 61.45 C ATOM 445 CE LYS A 655 37.886 -12.916 109.171 1.00 63.79 C ATOM 446 NZ LYS A 655 36.994 -13.416 110.256 1.00 64.41 N ATOM 447 HZ1 LYS A 655 36.101 -13.751 109.842 1.00 0.00 H ATOM 448 HZ2 LYS A 655 37.462 -14.200 110.754 1.00 0.00 H ATOM 449 HZ3 LYS A 655 36.799 -12.645 110.926 1.00 0.00 H ATOM 450 H LYS A 655 37.052 -18.137 105.578 1.00 0.00 H ATOM 451 N GLN A 656 34.422 -16.084 105.401 1.00 56.00 N ATOM 452 CA GLN A 656 33.205 -15.403 104.978 1.00 56.88 C ATOM 453 C GLN A 656 31.965 -16.206 105.348 1.00 55.30 C ATOM 454 O GLN A 656 30.963 -15.636 105.793 1.00 48.85 O ATOM 455 CB GLN A 656 33.255 -15.135 103.474 1.00 63.35 C ATOM 456 CG GLN A 656 34.383 -14.194 103.058 1.00 63.68 C ATOM 457 CD GLN A 656 34.536 -14.096 101.553 1.00 68.75 C ATOM 458 OE1 GLN A 656 34.979 -15.038 100.899 1.00 71.27 O ATOM 459 NE2 GLN A 656 34.161 -12.952 100.995 1.00 72.89 N ATOM 460 HE22 GLN A 656 33.792 -12.181 101.587 1.00 0.00 H ATOM 461 HE21 GLN A 656 34.237 -12.826 99.965 1.00 0.00 H ATOM 462 H GLN A 656 35.077 -16.461 104.687 1.00 0.00 H ATOM 463 N ARG A 657 32.014 -17.530 105.178 1.00 54.28 N ATOM 464 CA ARG A 657 30.884 -18.358 105.580 1.00 53.44 C ATOM 465 C ARG A 657 30.641 -18.264 107.079 1.00 51.40 C ATOM 466 O ARG A 657 29.490 -18.206 107.527 1.00 46.67 O ATOM 467 CB ARG A 657 31.116 -19.817 105.178 1.00 59.61 C ATOM 468 CG ARG A 657 30.181 -20.785 105.898 1.00 50.72 C ATOM 469 CD ARG A 657 30.605 -22.242 105.744 1.00 66.68 C ATOM 470 NE ARG A 657 30.124 -23.055 106.863 1.00 64.90 N ATOM 471 CZ ARG A 657 28.922 -23.624 106.916 1.00 67.08 C ATOM 472 NH1 ARG A 657 28.068 -23.479 105.911 1.00 61.87 N ATOM 473 NH2 ARG A 657 28.570 -24.343 107.975 1.00 73.28 N ATOM 474 HE ARG A 657 30.764 -23.197 107.670 1.00 0.00 H ATOM 475 HH12 ARG A 657 27.130 -23.926 105.957 1.00 0.00 H ATOM 476 HH11 ARG A 657 28.337 -22.919 105.077 1.00 0.00 H ATOM 477 HH22 ARG A 657 27.630 -24.786 108.013 1.00 0.00 H ATOM 478 HH21 ARG A 657 29.234 -24.463 108.766 1.00 0.00 H ATOM 479 H ARG A 657 32.858 -17.970 104.759 1.00 0.00 H ATOM 480 N VAL A 658 31.712 -18.267 107.873 1.00 46.60 N ATOM 481 CA VAL A 658 31.553 -18.192 109.320 1.00 49.17 C ATOM 482 C VAL A 658 31.005 -16.828 109.718 1.00 47.07 C ATOM 483 O VAL A 658 30.081 -16.726 110.533 1.00 47.18 O ATOM 484 CB VAL A 658 32.889 -18.499 110.024 1.00 58.82 C ATOM 485 CG1 VAL A 658 32.832 -18.084 111.488 1.00 55.90 C ATOM 486 CG2 VAL A 658 33.219 -19.977 109.912 1.00 58.47 C ATOM 487 H VAL A 658 32.664 -18.323 107.459 1.00 0.00 H ATOM 488 N ASP A 659 31.561 -15.762 109.133 1.00 44.48 N ATOM 489 CA ASP A 659 31.103 -14.406 109.426 1.00 46.58 C ATOM 490 C ASP A 659 29.651 -14.211 109.004 1.00 38.95 C ATOM 491 O ASP A 659 28.836 -13.682 109.771 1.00 44.56 O ATOM 492 CB ASP A 659 32.007 -13.392 108.720 1.00 48.77 C ATOM 493 CG ASP A 659 33.376 -13.267 109.374 1.00 54.51 C ATOM 494 OD1 ASP A 659 33.492 -13.574 110.577 1.00 56.12 O ATOM 495 OD2 ASP A 659 34.334 -12.866 108.682 1.00 52.28 O ATOM 496 H ASP A 659 32.337 -15.901 108.454 1.00 0.00 H ATOM 497 N PHE A 660 29.325 -14.608 107.768 1.00 40.43 N ATOM 498 CA PHE A 660 27.942 -14.608 107.284 1.00 42.62 C ATOM 499 C PHE A 660 27.002 -15.228 108.304 1.00 40.00 C ATOM 500 O PHE A 660 26.020 -14.608 108.718 1.00 37.98 O ATOM 501 CB PHE A 660 27.866 -15.368 105.955 1.00 43.45 C ATOM 502 CG PHE A 660 26.499 -15.373 105.309 1.00 46.68 C ATOM 503 CD1 PHE A 660 26.047 -14.271 104.601 1.00 43.92 C ATOM 504 CD2 PHE A 660 25.693 -16.497 105.369 1.00 36.83 C ATOM 505 CE1 PHE A 660 24.805 -14.286 103.986 1.00 40.80 C ATOM 506 CE2 PHE A 660 24.456 -16.522 104.754 1.00 39.37 C ATOM 507 CZ PHE A 660 24.009 -15.408 104.063 1.00 35.65 C ATOM 508 H PHE A 660 30.080 -14.928 107.128 1.00 0.00 H ATOM 509 N LEU A 661 27.296 -16.457 108.738 1.00 40.66 N ATOM 510 CA LEU A 661 26.430 -17.098 109.719 1.00 38.65 C ATOM 511 C LEU A 661 26.535 -16.438 111.088 1.00 35.88 C ATOM 512 O LEU A 661 25.569 -16.465 111.861 1.00 37.01 O ATOM 513 CB LEU A 661 26.771 -18.588 109.821 1.00 43.49 C ATOM 514 CG LEU A 661 26.450 -19.418 108.574 1.00 42.03 C ATOM 515 CD1 LEU A 661 26.834 -20.872 108.800 1.00 46.37 C ATOM 516 CD2 LEU A 661 24.977 -19.307 108.209 1.00 44.42 C ATOM 517 H LEU A 661 28.137 -16.952 108.378 1.00 0.00 H ATOM 518 N GLY A 662 27.700 -15.881 111.424 1.00 39.03 N ATOM 519 CA GLY A 662 27.839 -15.215 112.712 1.00 38.81 C ATOM 520 C GLY A 662 26.986 -13.963 112.805 1.00 41.33 C ATOM 521 O GLY A 662 26.432 -13.646 113.863 1.00 40.14 O ATOM 522 H GLY A 662 28.506 -15.922 110.768 1.00 0.00 H ATOM 523 N GLU A 663 26.846 -13.249 111.696 1.00 38.80 N ATOM 524 CA GLU A 663 26.006 -12.057 111.718 1.00 38.86 C ATOM 525 C GLU A 663 24.543 -12.415 111.924 1.00 30.91 C ATOM 526 O GLU A 663 23.815 -11.702 112.630 1.00 37.46 O ATOM 527 CB GLU A 663 26.198 -11.269 110.431 1.00 40.21 C ATOM 528 CG GLU A 663 27.262 -10.212 110.569 1.00 50.51 C ATOM 529 CD GLU A 663 27.995 -9.994 109.282 1.00 61.26 C ATOM 530 OE1 GLU A 663 27.754 -10.784 108.338 1.00 57.59 O ATOM 531 OE2 GLU A 663 28.790 -9.028 109.210 1.00 62.79 O ATOM 532 H GLU A 663 27.330 -13.536 110.821 1.00 0.00 H ATOM 533 N ALA A 664 24.094 -13.512 111.317 1.00 34.08 N ATOM 534 CA ALA A 664 22.725 -13.956 111.540 1.00 32.54 C ATOM 535 C ALA A 664 22.505 -14.324 112.997 1.00 34.21 C ATOM 536 O ALA A 664 21.478 -13.969 113.587 1.00 42.19 O ATOM 537 CB ALA A 664 22.402 -15.128 110.618 1.00 33.35 C ATOM 538 H ALA A 664 24.720 -14.051 110.685 1.00 0.00 H ATOM 539 N GLY A 665 23.483 -15.002 113.606 1.00 38.76 N ATOM 540 CA GLY A 665 23.385 -15.310 115.023 1.00 39.86 C ATOM 541 C GLY A 665 23.289 -14.067 115.886 1.00 37.76 C ATOM 542 O GLY A 665 22.542 -14.037 116.866 1.00 39.36 O ATOM 543 H GLY A 665 24.316 -15.310 113.065 1.00 0.00 H ATOM 544 N ILE A 666 24.021 -13.013 115.520 1.00 37.75 N ATOM 545 CA ILE A 666 23.905 -11.754 116.256 1.00 40.26 C ATOM 546 C ILE A 666 22.486 -11.213 116.143 1.00 40.75 C ATOM 547 O ILE A 666 21.846 -10.871 117.144 1.00 39.46 O ATOM 548 CB ILE A 666 24.938 -10.734 115.747 1.00 38.11 C ATOM 549 CG1 ILE A 666 26.359 -11.218 116.051 1.00 41.28 C ATOM 550 CG2 ILE A 666 24.677 -9.357 116.356 1.00 35.46 C ATOM 551 CD1 ILE A 666 27.437 -10.324 115.503 1.00 45.55 C ATOM 552 H ILE A 666 24.673 -13.086 114.713 1.00 0.00 H ATOM 553 N MET A 667 21.967 -11.156 114.916 1.00 34.87 N ATOM 554 CA MET A 667 20.642 -10.596 114.693 1.00 33.93 C ATOM 555 C MET A 667 19.578 -11.402 115.422 1.00 38.40 C ATOM 556 O MET A 667 18.635 -10.835 115.991 1.00 35.18 O ATOM 557 CB MET A 667 20.382 -10.551 113.187 1.00 37.31 C ATOM 558 CG MET A 667 18.993 -10.184 112.768 1.00 36.38 C ATOM 559 SD MET A 667 18.947 -10.066 110.968 1.00 39.81 S ATOM 560 CE MET A 667 17.199 -10.104 110.758 1.00 32.07 C ATOM 561 H MET A 667 22.515 -11.516 114.109 1.00 0.00 H ATOM 562 N GLY A 668 19.738 -12.727 115.452 1.00 38.97 N ATOM 563 CA GLY A 668 18.771 -13.593 116.104 1.00 39.15 C ATOM 564 C GLY A 668 18.633 -13.372 117.598 1.00 40.78 C ATOM 565 O GLY A 668 17.621 -13.773 118.179 1.00 40.14 O ATOM 566 H GLY A 668 20.574 -13.149 114.998 1.00 0.00 H ATOM 567 N GLN A 669 19.622 -12.732 118.230 1.00 39.06 N ATOM 568 CA GLN A 669 19.544 -12.432 119.660 1.00 38.41 C ATOM 569 C GLN A 669 18.482 -11.396 119.987 1.00 44.18 C ATOM 570 O GLN A 669 18.010 -11.339 121.127 1.00 41.90 O ATOM 571 CB GLN A 669 20.874 -11.895 120.180 1.00 44.56 C ATOM 572 CG GLN A 669 22.051 -12.823 120.161 1.00 57.35 C ATOM 573 CD GLN A 669 23.264 -12.128 120.760 1.00 68.23 C ATOM 574 OE1 GLN A 669 23.706 -11.091 120.259 1.00 59.77 O ATOM 575 NE2 GLN A 669 23.781 -12.672 121.853 1.00 78.81 N ATOM 576 HE22 GLN A 669 23.375 -13.548 122.240 1.00 0.00 H ATOM 577 HE21 GLN A 669 24.593 -12.223 122.323 1.00 0.00 H ATOM 578 H GLN A 669 20.464 -12.441 117.694 1.00 0.00 H ATOM 579 N PHE A 670 18.148 -10.531 119.038 1.00 34.22 N ATOM 580 CA PHE A 670 17.293 -9.385 119.310 1.00 38.65 C ATOM 581 C PHE A 670 15.834 -9.725 119.056 1.00 37.49 C ATOM 582 O PHE A 670 15.513 -10.473 118.129 1.00 40.86 O ATOM 583 CB PHE A 670 17.711 -8.218 118.421 1.00 32.86 C ATOM 584 CG PHE A 670 19.159 -7.882 118.523 1.00 34.52 C ATOM 585 CD1 PHE A 670 19.791 -7.854 119.763 1.00 36.01 C ATOM 586 CD2 PHE A 670 19.905 -7.606 117.390 1.00 36.57 C ATOM 587 CE1 PHE A 670 21.139 -7.552 119.868 1.00 36.89 C ATOM 588 CE2 PHE A 670 21.254 -7.305 117.495 1.00 36.52 C ATOM 589 CZ PHE A 670 21.866 -7.277 118.736 1.00 36.21 C ATOM 590 H PHE A 670 18.507 -10.676 118.073 1.00 0.00 H ATOM 591 N SER A 671 14.945 -9.140 119.860 1.00 34.59 N ATOM 592 CA SER A 671 13.514 -9.367 119.693 1.00 33.69 C ATOM 593 C SER A 671 12.772 -8.076 120.011 1.00 41.26 C ATOM 594 O SER A 671 12.339 -7.849 121.144 1.00 37.29 O ATOM 595 CB SER A 671 13.033 -10.521 120.565 1.00 47.24 C ATOM 596 OG SER A 671 11.694 -10.841 120.243 1.00 49.99 O ATOM 597 HG SER A 671 11.389 -11.591 120.813 1.00 0.00 H ATOM 598 H SER A 671 15.278 -8.511 120.619 1.00 0.00 H ATOM 599 N HIS A 672 12.590 -7.244 118.993 1.00 32.07 N ATOM 600 CA HIS A 672 11.992 -5.945 119.231 1.00 29.53 C ATOM 601 C HIS A 672 11.247 -5.504 117.982 1.00 30.83 C ATOM 602 O HIS A 672 11.670 -5.801 116.863 1.00 33.15 O ATOM 603 CB HIS A 672 13.059 -4.919 119.619 1.00 29.17 C ATOM 604 CG HIS A 672 12.489 -3.626 120.098 1.00 32.58 C ATOM 605 ND1 HIS A 672 12.096 -2.626 119.238 1.00 32.97 N ATOM 606 CD2 HIS A 672 12.222 -3.176 121.346 1.00 32.88 C ATOM 607 CE1 HIS A 672 11.628 -1.606 119.936 1.00 34.31 C ATOM 608 NE2 HIS A 672 11.694 -1.915 121.218 1.00 34.81 N ATOM 609 H HIS A 672 12.874 -7.522 118.032 1.00 0.00 H ATOM 610 N HIS A 673 10.122 -4.824 118.206 1.00 32.89 N ATOM 611 CA HIS A 673 9.273 -4.308 117.136 1.00 34.10 C ATOM 612 C HIS A 673 10.064 -3.507 116.108 1.00 35.73 C ATOM 613 O HIS A 673 9.756 -3.556 114.916 1.00 31.65 O ATOM 614 CB HIS A 673 8.177 -3.430 117.750 1.00 33.23 C ATOM 615 CG HIS A 673 7.242 -2.811 116.754 1.00 40.86 C ATOM 616 ND1 HIS A 673 6.485 -3.556 115.872 1.00 45.91 N ATOM 617 CD2 HIS A 673 6.920 -1.516 116.521 1.00 42.47 C ATOM 618 CE1 HIS A 673 5.751 -2.746 115.129 1.00 44.05 C ATOM 619 NE2 HIS A 673 5.994 -1.503 115.504 1.00 45.66 N ATOM 620 H HIS A 673 9.835 -4.653 119.191 1.00 0.00 H ATOM 621 N ASN A 674 11.079 -2.757 116.550 1.00 31.59 N ATOM 622 CA ASN A 674 11.808 -1.827 115.683 1.00 30.22 C ATOM 623 C ASN A 674 13.210 -2.314 115.336 1.00 26.61 C ATOM 624 O ASN A 674 14.112 -1.514 115.024 1.00 27.36 O ATOM 625 CB ASN A 674 11.859 -0.448 116.327 1.00 27.64 C ATOM 626 CG ASN A 674 10.484 0.170 116.428 1.00 35.97 C ATOM 627 OD1 ASN A 674 9.882 0.174 117.494 1.00 33.08 O ATOM 628 ND2 ASN A 674 9.962 0.663 115.301 1.00 31.84 N ATOM 629 HD22 ASN A 674 10.512 0.638 114.419 1.00 0.00 H ATOM 630 HD21 ASN A 674 9.006 1.072 115.306 1.00 0.00 H ATOM 631 H ASN A 674 11.362 -2.837 117.548 1.00 0.00 H ATOM 632 N ILE A 675 13.363 -3.618 115.314 1.00 25.93 N ATOM 633 CA ILE A 675 14.584 -4.252 114.911 1.00 25.30 C ATOM 634 C ILE A 675 14.220 -5.382 113.958 1.00 28.77 C ATOM 635 O ILE A 675 13.409 -6.188 114.260 1.00 31.38 O ATOM 636 CB ILE A 675 15.415 -4.768 116.085 1.00 26.52 C ATOM 637 CG1 ILE A 675 15.847 -3.620 116.952 1.00 31.49 C ATOM 638 CG2 ILE A 675 16.642 -5.465 115.579 1.00 27.49 C ATOM 639 CD1 ILE A 675 16.586 -4.062 118.154 1.00 36.82 C ATOM 640 H ILE A 675 12.563 -4.217 115.602 1.00 0.00 H ATOM 641 N ILE A 676 14.833 -5.400 112.797 1.00 29.16 N ATOM 642 CA ILE A 676 14.538 -6.404 111.806 1.00 27.58 C ATOM 643 C ILE A 676 14.591 -7.808 112.399 1.00 31.06 C ATOM 644 O ILE A 676 15.515 -8.135 113.060 1.00 29.29 O ATOM 645 CB ILE A 676 15.472 -6.241 110.612 1.00 32.04 C ATOM 646 CG1 ILE A 676 15.040 -7.096 109.452 1.00 36.05 C ATOM 647 CG2 ILE A 676 16.891 -6.511 111.014 1.00 29.92 C ATOM 648 CD1 ILE A 676 16.096 -7.243 108.384 1.00 38.69 C ATOM 649 H ILE A 676 15.547 -4.674 112.588 1.00 0.00 H ATOM 650 N ARG A 677 13.568 -8.598 112.143 1.00 26.67 N ATOM 651 CA ARG A 677 13.468 -9.940 112.650 1.00 30.10 C ATOM 652 C ARG A 677 14.101 -10.986 111.783 1.00 31.59 C ATOM 653 O ARG A 677 13.975 -10.977 110.606 1.00 28.69 O ATOM 654 CB ARG A 677 12.008 -10.307 112.852 1.00 33.20 C ATOM 655 CG ARG A 677 11.769 -11.722 113.330 1.00 39.40 C ATOM 656 CD ARG A 677 10.344 -11.956 113.767 1.00 37.29 C ATOM 657 NE ARG A 677 9.461 -11.919 112.640 1.00 36.73 N ATOM 658 CZ ARG A 677 8.616 -10.930 112.400 1.00 42.15 C ATOM 659 NH1 ARG A 677 8.525 -9.924 113.235 1.00 45.71 N ATOM 660 NH2 ARG A 677 7.839 -10.942 111.336 1.00 46.10 N ATOM 661 HE ARG A 677 9.486 -12.716 111.972 1.00 0.00 H ATOM 662 HH12 ARG A 677 7.860 -9.148 113.044 1.00 0.00 H ATOM 663 HH11 ARG A 677 9.118 -9.902 114.089 1.00 0.00 H ATOM 664 HH22 ARG A 677 7.181 -10.155 111.164 1.00 0.00 H ATOM 665 HH21 ARG A 677 7.884 -11.738 110.668 1.00 0.00 H ATOM 666 H ARG A 677 12.797 -8.234 111.547 1.00 0.00 H ATOM 667 N LEU A 678 14.779 -11.909 112.416 1.00 30.36 N ATOM 668 CA LEU A 678 15.380 -12.995 111.716 1.00 29.69 C ATOM 669 C LEU A 678 14.445 -14.160 111.811 1.00 30.46 C ATOM 670 O LEU A 678 14.120 -14.573 112.872 1.00 36.13 O ATOM 671 CB LEU A 678 16.691 -13.399 112.355 1.00 34.68 C ATOM 672 CG LEU A 678 17.362 -14.658 111.824 1.00 33.01 C ATOM 673 CD1 LEU A 678 17.912 -14.457 110.452 1.00 31.65 C ATOM 674 CD2 LEU A 678 18.449 -15.162 112.722 1.00 35.92 C ATOM 675 H LEU A 678 14.881 -11.849 113.449 1.00 0.00 H ATOM 676 N GLU A 679 13.988 -14.664 110.690 1.00 29.14 N ATOM 677 CA GLU A 679 13.190 -15.889 110.709 1.00 31.62 C ATOM 678 C GLU A 679 14.082 -17.109 110.912 1.00 39.20 C ATOM 679 O GLU A 679 13.720 -18.031 111.650 1.00 37.39 O ATOM 680 CB GLU A 679 12.386 -16.025 109.417 1.00 33.84 C ATOM 681 CG GLU A 679 11.520 -14.811 109.056 1.00 33.70 C ATOM 682 CD GLU A 679 10.335 -14.597 109.999 1.00 39.59 C ATOM 683 OE1 GLU A 679 10.103 -15.435 110.898 1.00 46.54 O ATOM 684 OE2 GLU A 679 9.637 -13.572 109.841 1.00 52.99 O ATOM 685 H GLU A 679 14.193 -14.192 109.786 1.00 0.00 H ATOM 686 N GLY A 680 15.240 -17.133 110.270 1.00 32.20 N ATOM 687 CA GLY A 680 16.179 -18.223 110.447 1.00 37.11 C ATOM 688 C GLY A 680 17.225 -18.220 109.346 1.00 39.04 C ATOM 689 O GLY A 680 17.356 -17.265 108.581 1.00 33.79 O ATOM 690 H GLY A 680 15.481 -16.353 109.625 1.00 0.00 H ATOM 691 N VAL A 681 17.972 -19.317 109.280 1.00 29.82 N ATOM 692 CA VAL A 681 19.040 -19.447 108.303 1.00 27.83 C ATOM 693 C VAL A 681 18.953 -20.803 107.629 1.00 37.59 C ATOM 694 O VAL A 681 18.407 -21.767 108.172 1.00 37.73 O ATOM 695 CB VAL A 681 20.444 -19.275 108.927 1.00 35.69 C ATOM 696 CG1 VAL A 681 20.576 -17.924 109.610 1.00 36.59 C ATOM 697 CG2 VAL A 681 20.710 -20.390 109.929 1.00 39.41 C ATOM 698 H VAL A 681 17.789 -20.099 109.941 1.00 0.00 H ATOM 699 N ILE A 682 19.519 -20.872 106.436 1.00 29.25 N ATOM 700 CA ILE A 682 19.876 -22.154 105.840 1.00 35.73 C ATOM 701 C ILE A 682 21.389 -22.195 105.763 1.00 38.46 C ATOM 702 O ILE A 682 22.000 -21.477 104.962 1.00 30.68 O ATOM 703 CB ILE A 682 19.228 -22.361 104.470 1.00 29.08 C ATOM 704 CG1 ILE A 682 17.718 -22.547 104.672 1.00 31.74 C ATOM 705 CG2 ILE A 682 19.862 -23.576 103.754 1.00 31.66 C ATOM 706 CD1 ILE A 682 16.932 -22.610 103.406 1.00 32.83 C ATOM 707 H ILE A 682 19.713 -19.995 105.912 1.00 0.00 H ATOM 708 N SER A 683 22.000 -23.027 106.615 1.00 33.86 N ATOM 709 CA SER A 683 23.444 -23.173 106.658 1.00 34.41 C ATOM 710 C SER A 683 23.931 -24.532 106.169 1.00 44.16 C ATOM 711 O SER A 683 25.123 -24.674 105.874 1.00 40.43 O ATOM 712 CB SER A 683 23.957 -22.957 108.091 1.00 45.54 C ATOM 713 OG SER A 683 23.335 -23.852 109.001 1.00 44.17 O ATOM 714 HG SER A 683 22.356 -23.704 108.990 1.00 0.00 H ATOM 715 H SER A 683 21.420 -23.589 107.270 1.00 0.00 H ATOM 716 N LYS A 684 23.044 -25.518 106.056 1.00 38.13 N ATOM 717 CA LYS A 684 23.460 -26.882 105.749 1.00 42.26 C ATOM 718 C LYS A 684 23.400 -27.212 104.266 1.00 45.74 C ATOM 719 O LYS A 684 23.870 -28.283 103.867 1.00 49.01 O ATOM 720 CB LYS A 684 22.595 -27.873 106.531 1.00 43.12 C ATOM 721 CG LYS A 684 22.474 -27.532 108.008 1.00 49.79 C ATOM 722 CD LYS A 684 21.815 -28.646 108.798 1.00 57.76 C ATOM 723 CE LYS A 684 22.367 -28.704 110.219 1.00 58.69 C ATOM 724 NZ LYS A 684 22.394 -27.359 110.868 1.00 62.14 N ATOM 725 HZ1 LYS A 684 22.997 -26.719 110.312 1.00 0.00 H ATOM 726 HZ2 LYS A 684 21.428 -26.977 110.911 1.00 0.00 H ATOM 727 HZ3 LYS A 684 22.776 -27.448 111.831 1.00 0.00 H ATOM 728 H LYS A 684 22.033 -25.312 106.189 1.00 0.00 H ATOM 729 N TYR A 685 22.833 -26.334 103.444 1.00 38.96 N ATOM 730 CA TYR A 685 22.722 -26.536 102.008 1.00 32.99 C ATOM 731 C TYR A 685 23.146 -25.260 101.299 1.00 42.68 C ATOM 732 O TYR A 685 23.333 -24.213 101.922 1.00 39.11 O ATOM 733 CB TYR A 685 21.295 -26.938 101.613 1.00 32.56 C ATOM 734 CG TYR A 685 20.840 -28.151 102.378 1.00 36.70 C ATOM 735 CD1 TYR A 685 21.299 -29.415 102.040 1.00 42.93 C ATOM 736 CD2 TYR A 685 20.006 -28.033 103.479 1.00 36.05 C ATOM 737 CE1 TYR A 685 20.905 -30.522 102.753 1.00 33.19 C ATOM 738 CE2 TYR A 685 19.618 -29.142 104.210 1.00 40.86 C ATOM 739 CZ TYR A 685 20.081 -30.384 103.837 1.00 41.07 C ATOM 740 OH TYR A 685 19.706 -31.496 104.546 1.00 43.22 O ATOM 741 HH TYR A 685 20.126 -32.298 104.146 1.00 0.00 H ATOM 742 H TYR A 685 22.449 -25.457 103.849 1.00 0.00 H ATOM 743 N LYS A 686 23.315 -25.358 99.985 1.00 41.74 N ATOM 744 CA LYS A 686 23.731 -24.205 99.187 1.00 44.02 C ATOM 745 C LYS A 686 22.627 -23.817 98.211 1.00 45.40 C ATOM 746 O LYS A 686 21.966 -24.690 97.660 1.00 49.47 O ATOM 747 CB LYS A 686 25.031 -24.512 98.433 1.00 43.92 C ATOM 748 CG LYS A 686 26.210 -24.870 99.338 1.00 49.33 C ATOM 749 CD LYS A 686 27.505 -24.980 98.536 1.00 53.44 C ATOM 750 CE LYS A 686 27.408 -26.134 97.528 1.00 50.70 C ATOM 751 NZ LYS A 686 28.624 -27.004 97.532 1.00 54.36 N ATOM 752 HZ1 LYS A 686 29.458 -26.433 97.286 1.00 0.00 H ATOM 753 HZ2 LYS A 686 28.751 -27.416 98.479 1.00 0.00 H ATOM 754 HZ3 LYS A 686 28.506 -27.766 96.834 1.00 0.00 H ATOM 755 H LYS A 686 23.149 -26.271 99.515 1.00 0.00 H ATOM 756 N PRO A 687 22.414 -22.504 97.995 1.00 42.65 N ATOM 757 CA PRO A 687 23.167 -21.407 98.611 1.00 40.56 C ATOM 758 C PRO A 687 22.746 -21.184 100.053 1.00 34.57 C ATOM 759 O PRO A 687 21.576 -21.397 100.386 1.00 39.55 O ATOM 760 CB PRO A 687 22.795 -20.203 97.745 1.00 38.85 C ATOM 761 CG PRO A 687 21.390 -20.499 97.330 1.00 39.71 C ATOM 762 CD PRO A 687 21.361 -21.999 97.094 1.00 42.30 C ATOM 763 N MET A 688 23.686 -20.785 100.902 1.00 36.11 N ATOM 764 CA MET A 688 23.326 -20.431 102.264 1.00 34.18 C ATOM 765 C MET A 688 22.457 -19.183 102.259 1.00 34.07 C ATOM 766 O MET A 688 22.569 -18.332 101.375 1.00 36.63 O ATOM 767 CB MET A 688 24.568 -20.211 103.110 1.00 36.79 C ATOM 768 CG MET A 688 25.156 -21.532 103.615 1.00 50.52 C ATOM 769 SD MET A 688 26.807 -21.361 104.287 1.00 57.89 S ATOM 770 CE MET A 688 26.726 -19.744 105.044 1.00 56.47 C ATOM 771 H MET A 688 24.677 -20.726 100.593 1.00 0.00 H ATOM 772 N MET A 689 21.583 -19.082 103.256 1.00 33.70 N ATOM 773 CA MET A 689 20.558 -18.045 103.260 1.00 30.86 C ATOM 774 C MET A 689 20.379 -17.467 104.648 1.00 34.96 C ATOM 775 O MET A 689 20.361 -18.201 105.635 1.00 32.07 O ATOM 776 CB MET A 689 19.206 -18.587 102.783 1.00 27.62 C ATOM 777 CG MET A 689 19.177 -18.978 101.321 1.00 38.32 C ATOM 778 SD MET A 689 17.563 -19.632 100.898 1.00 38.39 S ATOM 779 CE MET A 689 17.724 -19.847 99.141 1.00 44.10 C ATOM 780 H MET A 689 21.631 -19.755 104.047 1.00 0.00 H ATOM 781 N ILE A 690 20.219 -16.144 104.712 1.00 28.50 N ATOM 782 CA ILE A 690 19.693 -15.469 105.885 1.00 32.15 C ATOM 783 C ILE A 690 18.292 -15.008 105.512 1.00 33.61 C ATOM 784 O ILE A 690 18.101 -14.411 104.450 1.00 27.94 O ATOM 785 CB ILE A 690 20.600 -14.297 106.304 1.00 29.39 C ATOM 786 CG1 ILE A 690 21.920 -14.846 106.869 1.00 32.49 C ATOM 787 CG2 ILE A 690 19.884 -13.358 107.292 1.00 29.95 C ATOM 788 CD1 ILE A 690 23.004 -13.760 107.134 1.00 35.22 C ATOM 789 H ILE A 690 20.483 -15.571 103.885 1.00 0.00 H ATOM 790 N ILE A 691 17.302 -15.360 106.328 1.00 27.54 N ATOM 791 CA ILE A 691 15.903 -15.147 105.985 1.00 24.28 C ATOM 792 C ILE A 691 15.308 -14.205 107.020 1.00 28.79 C ATOM 793 O ILE A 691 15.264 -14.526 108.215 1.00 27.39 O ATOM 794 CB ILE A 691 15.125 -16.469 105.915 1.00 25.02 C ATOM 795 CG1 ILE A 691 15.780 -17.362 104.859 1.00 28.73 C ATOM 796 CG2 ILE A 691 13.677 -16.168 105.561 1.00 28.57 C ATOM 797 CD1 ILE A 691 15.198 -18.764 104.772 1.00 33.87 C ATOM 798 H ILE A 691 17.535 -15.802 107.240 1.00 0.00 H ATOM 799 N THR A 692 14.869 -13.032 106.573 1.00 26.64 N ATOM 800 CA THR A 692 14.390 -12.017 107.495 1.00 25.01 C ATOM 801 C THR A 692 12.953 -11.635 107.170 1.00 27.37 C ATOM 802 O THR A 692 12.432 -11.915 106.087 1.00 26.81 O ATOM 803 CB THR A 692 15.255 -10.744 107.431 1.00 27.47 C ATOM 804 OG1 THR A 692 14.920 -10.012 106.245 1.00 29.60 O ATOM 805 CG2 THR A 692 16.721 -11.092 107.365 1.00 27.13 C ATOM 806 HG1 THR A 692 13.962 -9.764 106.271 1.00 0.00 H ATOM 807 H THR A 692 14.869 -12.839 105.551 1.00 0.00 H ATOM 808 N GLU A 693 12.315 -10.943 108.109 1.00 27.69 N ATOM 809 CA GLU A 693 11.025 -10.361 107.789 1.00 29.49 C ATOM 810 C GLU A 693 11.182 -9.418 106.602 1.00 27.47 C ATOM 811 O GLU A 693 12.247 -8.833 106.383 1.00 27.01 O ATOM 812 CB GLU A 693 10.436 -9.642 109.009 1.00 35.90 C ATOM 813 CG GLU A 693 10.888 -8.218 109.210 1.00 35.43 C ATOM 814 CD GLU A 693 10.327 -7.580 110.482 1.00 31.49 C ATOM 815 OE1 GLU A 693 9.131 -7.225 110.506 1.00 39.17 O ATOM 816 OE2 GLU A 693 11.089 -7.404 111.453 1.00 33.00 O ATOM 817 H GLU A 693 12.732 -10.821 109.054 1.00 0.00 H ATOM 818 N TYR A 694 10.121 -9.304 105.803 1.00 27.54 N ATOM 819 CA TYR A 694 10.157 -8.499 104.589 1.00 30.41 C ATOM 820 C TYR A 694 9.682 -7.091 104.894 1.00 27.20 C ATOM 821 O TYR A 694 8.671 -6.905 105.572 1.00 28.24 O ATOM 822 CB TYR A 694 9.270 -9.104 103.504 1.00 30.72 C ATOM 823 CG TYR A 694 9.352 -8.392 102.164 1.00 25.94 C ATOM 824 CD1 TYR A 694 10.529 -8.377 101.425 1.00 24.77 C ATOM 825 CD2 TYR A 694 8.238 -7.773 101.633 1.00 30.89 C ATOM 826 CE1 TYR A 694 10.591 -7.752 100.206 1.00 34.99 C ATOM 827 CE2 TYR A 694 8.294 -7.139 100.426 1.00 33.52 C ATOM 828 CZ TYR A 694 9.455 -7.126 99.718 1.00 33.89 C ATOM 829 OH TYR A 694 9.464 -6.494 98.507 1.00 39.01 O ATOM 830 HH TYR A 694 9.229 -5.540 98.632 1.00 0.00 H ATOM 831 H TYR A 694 9.244 -9.803 106.053 1.00 0.00 H ATOM 832 N MET A 695 10.397 -6.107 104.371 1.00 27.49 N ATOM 833 CA MET A 695 10.107 -4.706 104.651 1.00 29.89 C ATOM 834 C MET A 695 9.732 -4.054 103.324 1.00 25.60 C ATOM 835 O MET A 695 10.610 -3.685 102.537 1.00 27.64 O ATOM 836 CB MET A 695 11.314 -4.052 105.319 1.00 28.83 C ATOM 837 CG MET A 695 11.699 -4.795 106.620 1.00 30.37 C ATOM 838 SD MET A 695 10.471 -4.557 107.901 1.00 31.66 S ATOM 839 CE MET A 695 10.797 -2.832 108.358 1.00 30.74 C ATOM 840 H MET A 695 11.190 -6.341 103.741 1.00 0.00 H ATOM 841 N GLU A 696 8.422 -3.900 103.104 1.00 30.57 N ATOM 842 CA GLU A 696 7.898 -3.629 101.766 1.00 32.48 C ATOM 843 C GLU A 696 8.513 -2.382 101.147 1.00 32.67 C ATOM 844 O GLU A 696 8.746 -2.334 99.934 1.00 31.94 O ATOM 845 CB GLU A 696 6.370 -3.490 101.824 1.00 34.21 C ATOM 846 CG GLU A 696 5.587 -4.797 102.052 1.00 42.13 C ATOM 847 CD GLU A 696 5.467 -5.213 103.525 1.00 53.21 C ATOM 848 OE1 GLU A 696 6.192 -4.664 104.386 1.00 41.17 O ATOM 849 OE2 GLU A 696 4.622 -6.094 103.819 1.00 54.71 O ATOM 850 H GLU A 696 7.761 -3.975 103.903 1.00 0.00 H ATOM 851 N ASN A 697 8.798 -1.371 101.958 1.00 31.43 N ATOM 852 CA ASN A 697 9.242 -0.082 101.437 1.00 26.63 C ATOM 853 C ASN A 697 10.755 0.076 101.399 1.00 33.55 C ATOM 854 O ASN A 697 11.245 1.150 101.017 1.00 33.57 O ATOM 855 CB ASN A 697 8.585 1.026 102.252 1.00 30.15 C ATOM 856 CG ASN A 697 7.158 1.276 101.808 1.00 34.35 C ATOM 857 OD1 ASN A 697 6.883 1.330 100.616 1.00 32.97 O ATOM 858 ND2 ASN A 697 6.250 1.400 102.755 1.00 34.21 N ATOM 859 HD22 ASN A 697 6.531 1.347 103.755 1.00 0.00 H ATOM 860 HD21 ASN A 697 5.252 1.551 102.502 1.00 0.00 H ATOM 861 H ASN A 697 8.703 -1.500 102.986 1.00 0.00 H ATOM 862 N GLY A 698 11.514 -0.970 101.747 1.00 29.78 N ATOM 863 CA GLY A 698 12.957 -0.892 101.557 1.00 25.34 C ATOM 864 C GLY A 698 13.647 0.062 102.532 1.00 27.62 C ATOM 865 O GLY A 698 13.153 0.366 103.615 1.00 26.12 O ATOM 866 H GLY A 698 11.080 -1.826 102.147 1.00 0.00 H ATOM 867 N ALA A 699 14.813 0.538 102.112 1.00 27.30 N ATOM 868 CA ALA A 699 15.640 1.376 102.970 1.00 29.42 C ATOM 869 C ALA A 699 15.054 2.780 103.101 1.00 27.77 C ATOM 870 O ALA A 699 14.513 3.341 102.141 1.00 27.81 O ATOM 871 CB ALA A 699 17.060 1.445 102.414 1.00 35.23 C ATOM 872 H ALA A 699 15.142 0.308 101.153 1.00 0.00 H ATOM 873 N LEU A 700 15.197 3.354 104.299 1.00 23.83 N ATOM 874 CA LEU A 700 14.564 4.636 104.615 1.00 28.08 C ATOM 875 C LEU A 700 15.090 5.780 103.757 1.00 30.33 C ATOM 876 O LEU A 700 14.330 6.691 103.394 1.00 30.37 O ATOM 877 CB LEU A 700 14.783 4.961 106.089 1.00 26.04 C ATOM 878 CG LEU A 700 14.211 6.274 106.617 1.00 25.68 C ATOM 879 CD1 LEU A 700 12.697 6.257 106.526 1.00 26.47 C ATOM 880 CD2 LEU A 700 14.661 6.482 108.066 1.00 28.11 C ATOM 881 H LEU A 700 15.771 2.879 105.024 1.00 0.00 H ATOM 882 N ASP A 701 16.394 5.810 103.488 1.00 32.15 N ATOM 883 CA ASP A 701 16.928 6.959 102.765 1.00 33.53 C ATOM 884 C ASP A 701 16.348 7.022 101.357 1.00 31.67 C ATOM 885 O ASP A 701 15.850 8.067 100.922 1.00 34.36 O ATOM 886 CB ASP A 701 18.462 6.923 102.749 1.00 34.25 C ATOM 887 CG ASP A 701 19.025 5.739 102.000 1.00 35.61 C ATOM 888 OD1 ASP A 701 18.436 4.637 102.043 1.00 38.18 O ATOM 889 OD2 ASP A 701 20.085 5.911 101.364 1.00 43.33 O ATOM 890 H ASP A 701 17.017 5.033 103.786 1.00 0.00 H ATOM 891 N LYS A 702 16.328 5.884 100.670 1.00 32.51 N ATOM 892 CA LYS A 702 15.689 5.789 99.363 1.00 37.13 C ATOM 893 C LYS A 702 14.193 6.075 99.453 1.00 32.10 C ATOM 894 O LYS A 702 13.625 6.749 98.585 1.00 35.92 O ATOM 895 CB LYS A 702 15.930 4.390 98.783 1.00 36.18 C ATOM 896 CG LYS A 702 17.303 4.136 98.118 1.00 44.92 C ATOM 897 CD LYS A 702 18.401 5.093 98.556 1.00 50.45 C ATOM 898 CE LYS A 702 19.663 4.939 97.708 1.00 63.19 C ATOM 899 NZ LYS A 702 20.659 6.030 97.963 1.00 61.30 N ATOM 900 HZ1 LYS A 702 20.229 6.950 97.737 1.00 0.00 H ATOM 901 HZ2 LYS A 702 20.940 6.014 98.964 1.00 0.00 H ATOM 902 HZ3 LYS A 702 21.496 5.880 97.364 1.00 0.00 H ATOM 903 H LYS A 702 16.780 5.040 101.075 1.00 0.00 H ATOM 904 N PHE A 703 13.536 5.564 100.494 1.00 30.02 N ATOM 905 CA PHE A 703 12.094 5.736 100.618 1.00 30.09 C ATOM 906 C PHE A 703 11.730 7.207 100.764 1.00 35.05 C ATOM 907 O PHE A 703 10.799 7.702 100.114 1.00 32.98 O ATOM 908 CB PHE A 703 11.580 4.933 101.812 1.00 30.44 C ATOM 909 CG PHE A 703 10.097 5.024 102.018 1.00 28.60 C ATOM 910 CD1 PHE A 703 9.214 4.495 101.081 1.00 30.93 C ATOM 911 CD2 PHE A 703 9.585 5.593 103.170 1.00 29.36 C ATOM 912 CE1 PHE A 703 7.848 4.554 101.281 1.00 30.47 C ATOM 913 CE2 PHE A 703 8.207 5.663 103.369 1.00 34.49 C ATOM 914 CZ PHE A 703 7.346 5.137 102.418 1.00 31.75 C ATOM 915 H PHE A 703 14.057 5.038 101.224 1.00 0.00 H ATOM 916 N LEU A 704 12.461 7.927 101.613 1.00 30.37 N ATOM 917 CA LEU A 704 12.143 9.331 101.841 1.00 34.85 C ATOM 918 C LEU A 704 12.356 10.160 100.585 1.00 39.00 C ATOM 919 O LEU A 704 11.615 11.119 100.336 1.00 32.00 O ATOM 920 CB LEU A 704 12.990 9.883 102.982 1.00 32.31 C ATOM 921 CG LEU A 704 12.572 9.357 104.351 1.00 34.52 C ATOM 922 CD1 LEU A 704 13.438 9.979 105.412 1.00 36.53 C ATOM 923 CD2 LEU A 704 11.100 9.643 104.608 1.00 38.38 C ATOM 924 H LEU A 704 13.259 7.487 102.114 1.00 0.00 H ATOM 925 N ARG A 705 13.371 9.814 99.788 1.00 34.08 N ATOM 926 CA ARG A 705 13.607 10.557 98.555 1.00 41.54 C ATOM 927 C ARG A 705 12.477 10.315 97.568 1.00 38.31 C ATOM 928 O ARG A 705 12.040 11.235 96.874 1.00 41.01 O ATOM 929 CB ARG A 705 14.954 10.165 97.948 1.00 37.46 C ATOM 930 CG ARG A 705 16.158 10.664 98.734 1.00 41.37 C ATOM 931 CD ARG A 705 17.462 10.041 98.238 1.00 45.53 C ATOM 932 NE ARG A 705 18.002 10.766 97.090 1.00 60.59 N ATOM 933 CZ ARG A 705 18.874 11.769 97.172 1.00 64.00 C ATOM 934 NH1 ARG A 705 19.308 12.364 96.066 1.00 62.09 N ATOM 935 NH2 ARG A 705 19.312 12.185 98.356 1.00 56.02 N ATOM 936 HE ARG A 705 17.683 10.479 96.143 1.00 0.00 H ATOM 937 HH12 ARG A 705 19.989 13.147 96.130 1.00 0.00 H ATOM 938 HH11 ARG A 705 18.967 12.046 95.136 1.00 0.00 H ATOM 939 HH22 ARG A 705 19.993 12.969 98.412 1.00 0.00 H ATOM 940 HH21 ARG A 705 18.974 11.727 99.226 1.00 0.00 H ATOM 941 H ARG A 705 13.990 9.019 100.045 1.00 0.00 H ATOM 942 N GLU A 706 11.969 9.088 97.523 1.00 35.77 N ATOM 943 CA GLU A 706 10.844 8.783 96.647 1.00 39.32 C ATOM 944 C GLU A 706 9.570 9.464 97.118 1.00 46.66 C ATOM 945 O GLU A 706 8.690 9.760 96.302 1.00 47.42 O ATOM 946 CB GLU A 706 10.665 7.266 96.569 1.00 48.08 C ATOM 947 CG GLU A 706 9.268 6.776 96.276 1.00 56.56 C ATOM 948 CD GLU A 706 9.223 5.263 96.152 1.00 68.92 C ATOM 949 OE1 GLU A 706 10.170 4.696 95.562 1.00 67.24 O ATOM 950 OE2 GLU A 706 8.261 4.646 96.660 1.00 68.32 O ATOM 951 H GLU A 706 12.377 8.339 98.118 1.00 0.00 H ATOM 952 N LYS A 707 9.465 9.746 98.416 1.00 37.10 N ATOM 953 CA LYS A 707 8.275 10.339 99.012 1.00 42.11 C ATOM 954 C LYS A 707 8.522 11.777 99.442 1.00 39.19 C ATOM 955 O LYS A 707 7.883 12.271 100.374 1.00 43.13 O ATOM 956 CB LYS A 707 7.802 9.505 100.203 1.00 41.50 C ATOM 957 CG LYS A 707 7.354 8.104 99.841 1.00 42.52 C ATOM 958 CD LYS A 707 6.055 8.135 99.061 1.00 49.81 C ATOM 959 CE LYS A 707 5.681 6.756 98.558 1.00 55.79 C ATOM 960 NZ LYS A 707 4.209 6.609 98.403 1.00 63.45 N ATOM 961 HZ1 LYS A 707 3.748 6.759 99.323 1.00 0.00 H ATOM 962 HZ2 LYS A 707 3.861 7.313 97.721 1.00 0.00 H ATOM 963 HZ3 LYS A 707 3.992 5.653 98.057 1.00 0.00 H ATOM 964 H LYS A 707 10.273 9.532 99.035 1.00 0.00 H ATOM 965 N ASP A 708 9.461 12.448 98.778 1.00 39.04 N ATOM 966 CA ASP A 708 9.825 13.824 99.096 1.00 43.53 C ATOM 967 C ASP A 708 8.587 14.697 99.277 1.00 45.65 C ATOM 968 O ASP A 708 7.730 14.765 98.392 1.00 51.98 O ATOM 969 CB ASP A 708 10.715 14.363 97.973 1.00 43.50 C ATOM 970 CG ASP A 708 11.298 15.722 98.276 1.00 51.40 C ATOM 971 OD1 ASP A 708 11.502 16.054 99.461 1.00 52.38 O ATOM 972 OD2 ASP A 708 11.557 16.466 97.311 1.00 63.13 O ATOM 973 H ASP A 708 9.957 11.970 97.999 1.00 0.00 H ATOM 974 N GLY A 709 8.480 15.327 100.449 1.00 41.85 N ATOM 975 CA GLY A 709 7.389 16.238 100.761 1.00 44.82 C ATOM 976 C GLY A 709 6.059 15.611 101.151 1.00 47.66 C ATOM 977 O GLY A 709 5.147 16.346 101.549 1.00 52.39 O ATOM 978 H GLY A 709 9.209 15.159 101.171 1.00 0.00 H ATOM 979 N GLU A 710 5.907 14.289 101.090 1.00 44.63 N ATOM 980 CA GLU A 710 4.580 13.691 101.186 1.00 43.50 C ATOM 981 C GLU A 710 4.179 13.256 102.594 1.00 47.31 C ATOM 982 O GLU A 710 3.150 12.589 102.745 1.00 50.65 O ATOM 983 CB GLU A 710 4.481 12.500 100.245 1.00 42.02 C ATOM 984 CG GLU A 710 4.750 12.859 98.805 1.00 50.38 C ATOM 985 CD GLU A 710 4.734 11.647 97.911 1.00 48.18 C ATOM 986 OE1 GLU A 710 3.961 10.711 98.201 1.00 66.36 O ATOM 987 OE2 GLU A 710 5.499 11.619 96.926 1.00 62.03 O ATOM 988 H GLU A 710 6.741 13.679 100.973 1.00 0.00 H ATOM 989 N PHE A 711 4.940 13.613 103.620 1.00 43.29 N ATOM 990 CA PHE A 711 4.621 13.225 104.984 1.00 39.59 C ATOM 991 C PHE A 711 4.433 14.458 105.855 1.00 37.55 C ATOM 992 O PHE A 711 5.075 15.485 105.647 1.00 38.08 O ATOM 993 CB PHE A 711 5.720 12.338 105.587 1.00 38.44 C ATOM 994 CG PHE A 711 5.838 10.997 104.933 1.00 35.30 C ATOM 995 CD1 PHE A 711 4.771 10.108 104.952 1.00 43.51 C ATOM 996 CD2 PHE A 711 7.009 10.620 104.300 1.00 37.12 C ATOM 997 CE1 PHE A 711 4.871 8.863 104.343 1.00 40.56 C ATOM 998 CE2 PHE A 711 7.120 9.373 103.693 1.00 36.02 C ATOM 999 CZ PHE A 711 6.049 8.496 103.714 1.00 40.56 C ATOM 1000 H PHE A 711 5.789 14.187 103.444 1.00 0.00 H ATOM 1001 N SER A 712 3.557 14.339 106.845 1.00 41.54 N ATOM 1002 CA SER A 712 3.462 15.366 107.867 1.00 40.01 C ATOM 1003 C SER A 712 4.671 15.297 108.792 1.00 44.94 C ATOM 1004 O SER A 712 5.374 14.282 108.871 1.00 37.58 O ATOM 1005 CB SER A 712 2.184 15.197 108.681 1.00 44.08 C ATOM 1006 OG SER A 712 2.269 14.040 109.493 1.00 41.14 O ATOM 1007 HG SER A 712 2.395 13.244 108.919 1.00 0.00 H ATOM 1008 H SER A 712 2.936 13.506 106.889 1.00 0.00 H ATOM 1009 N VAL A 713 4.904 16.393 109.513 1.00 36.25 N ATOM 1010 CA VAL A 713 5.974 16.390 110.499 1.00 37.76 C ATOM 1011 C VAL A 713 5.713 15.319 111.547 1.00 41.91 C ATOM 1012 O VAL A 713 6.628 14.603 111.964 1.00 36.73 O ATOM 1013 CB VAL A 713 6.139 17.787 111.124 1.00 46.04 C ATOM 1014 CG1 VAL A 713 7.055 17.711 112.328 1.00 44.86 C ATOM 1015 CG2 VAL A 713 6.698 18.758 110.098 1.00 39.33 C ATOM 1016 H VAL A 713 4.325 17.245 109.372 1.00 0.00 H ATOM 1017 N LEU A 714 4.456 15.157 111.950 1.00 36.90 N ATOM 1018 CA LEU A 714 4.140 14.157 112.960 1.00 41.59 C ATOM 1019 C LEU A 714 4.515 12.759 112.479 1.00 38.72 C ATOM 1020 O LEU A 714 4.995 11.929 113.266 1.00 37.48 O ATOM 1021 CB LEU A 714 2.656 14.237 113.314 1.00 43.44 C ATOM 1022 CG LEU A 714 2.193 13.704 114.661 1.00 59.93 C ATOM 1023 CD1 LEU A 714 2.241 12.220 114.757 1.00 56.29 C ATOM 1024 CD2 LEU A 714 3.002 14.305 115.770 1.00 53.84 C ATOM 1025 H LEU A 714 3.700 15.744 111.544 1.00 0.00 H ATOM 1026 N GLN A 715 4.321 12.487 111.183 1.00 32.38 N ATOM 1027 CA GLN A 715 4.668 11.174 110.649 1.00 38.23 C ATOM 1028 C GLN A 715 6.175 10.964 110.623 1.00 37.29 C ATOM 1029 O GLN A 715 6.660 9.856 110.903 1.00 32.17 O ATOM 1030 CB GLN A 715 4.098 11.010 109.250 1.00 37.75 C ATOM 1031 CG GLN A 715 2.587 10.887 109.208 1.00 44.55 C ATOM 1032 CD GLN A 715 2.078 10.767 107.797 1.00 41.18 C ATOM 1033 OE1 GLN A 715 2.231 11.682 106.998 1.00 40.01 O ATOM 1034 NE2 GLN A 715 1.486 9.624 107.474 1.00 46.99 N ATOM 1035 HE22 GLN A 715 1.378 8.874 108.187 1.00 0.00 H ATOM 1036 HE21 GLN A 715 1.130 9.478 106.508 1.00 0.00 H ATOM 1037 H GLN A 715 3.922 13.213 110.555 1.00 0.00 H ATOM 1038 N LEU A 716 6.927 12.007 110.251 1.00 32.63 N ATOM 1039 CA LEU A 716 8.383 11.913 110.251 1.00 34.36 C ATOM 1040 C LEU A 716 8.916 11.727 111.660 1.00 35.43 C ATOM 1041 O LEU A 716 9.846 10.944 111.882 1.00 31.60 O ATOM 1042 CB LEU A 716 8.998 13.165 109.628 1.00 31.98 C ATOM 1043 CG LEU A 716 8.700 13.456 108.161 1.00 34.77 C ATOM 1044 CD1 LEU A 716 9.312 14.810 107.821 1.00 33.30 C ATOM 1045 CD2 LEU A 716 9.233 12.339 107.232 1.00 29.23 C ATOM 1046 H LEU A 716 6.469 12.894 109.959 1.00 0.00 H ATOM 1047 N VAL A 717 8.363 12.464 112.623 1.00 30.07 N ATOM 1048 CA VAL A 717 8.795 12.284 114.003 1.00 32.55 C ATOM 1049 C VAL A 717 8.434 10.889 114.500 1.00 33.57 C ATOM 1050 O VAL A 717 9.171 10.300 115.301 1.00 32.03 O ATOM 1051 CB VAL A 717 8.206 13.390 114.898 1.00 36.56 C ATOM 1052 CG1 VAL A 717 8.550 13.136 116.362 1.00 32.31 C ATOM 1053 CG2 VAL A 717 8.751 14.757 114.447 1.00 33.37 C ATOM 1054 H VAL A 717 7.628 13.163 112.391 1.00 0.00 H ATOM 1055 N GLY A 718 7.324 10.324 114.018 1.00 32.86 N ATOM 1056 CA GLY A 718 6.981 8.959 114.397 1.00 37.83 C ATOM 1057 C GLY A 718 7.996 7.945 113.896 1.00 32.16 C ATOM 1058 O GLY A 718 8.335 6.983 114.599 1.00 32.16 O ATOM 1059 H GLY A 718 6.706 10.857 113.374 1.00 0.00 H ATOM 1060 N MET A 719 8.505 8.149 112.680 1.00 29.51 N ATOM 1061 CA MET A 719 9.584 7.295 112.179 1.00 31.08 C ATOM 1062 C MET A 719 10.803 7.365 113.089 1.00 29.59 C ATOM 1063 O MET A 719 11.383 6.336 113.463 1.00 30.12 O ATOM 1064 CB MET A 719 9.967 7.716 110.766 1.00 28.12 C ATOM 1065 CG MET A 719 8.866 7.509 109.742 1.00 33.87 C ATOM 1066 SD MET A 719 9.336 8.220 108.156 1.00 40.15 S ATOM 1067 CE MET A 719 7.907 7.766 107.172 1.00 42.63 C ATOM 1068 H MET A 719 8.134 8.917 112.085 1.00 0.00 H ATOM 1069 N LEU A 720 11.213 8.579 113.453 1.00 31.40 N ATOM 1070 CA LEU A 720 12.375 8.738 114.323 1.00 26.62 C ATOM 1071 C LEU A 720 12.152 8.085 115.682 1.00 33.07 C ATOM 1072 O LEU A 720 13.084 7.524 116.267 1.00 31.31 O ATOM 1073 CB LEU A 720 12.702 10.221 114.485 1.00 27.13 C ATOM 1074 CG LEU A 720 13.286 10.817 113.202 1.00 31.78 C ATOM 1075 CD1 LEU A 720 13.354 12.333 113.309 1.00 29.92 C ATOM 1076 CD2 LEU A 720 14.684 10.223 112.942 1.00 28.20 C ATOM 1077 H LEU A 720 10.702 9.419 113.115 1.00 0.00 H ATOM 1078 N ARG A 721 10.928 8.159 116.206 1.00 28.99 N ATOM 1079 CA ARG A 721 10.639 7.519 117.485 1.00 31.63 C ATOM 1080 C ARG A 721 10.825 6.005 117.389 1.00 31.95 C ATOM 1081 O ARG A 721 11.371 5.373 118.304 1.00 32.84 O ATOM 1082 CB ARG A 721 9.215 7.875 117.921 1.00 35.32 C ATOM 1083 CG ARG A 721 8.884 7.587 119.377 1.00 39.23 C ATOM 1084 CD ARG A 721 8.456 6.144 119.612 1.00 42.22 C ATOM 1085 NE ARG A 721 8.120 5.934 121.019 1.00 52.60 N ATOM 1086 CZ ARG A 721 7.963 4.748 121.602 1.00 46.81 C ATOM 1087 NH1 ARG A 721 8.115 3.623 120.913 1.00 45.70 N ATOM 1088 NH2 ARG A 721 7.667 4.692 122.893 1.00 53.18 N ATOM 1089 HE ARG A 721 7.994 6.779 121.612 1.00 0.00 H ATOM 1090 HH12 ARG A 721 7.989 2.704 121.383 1.00 0.00 H ATOM 1091 HH11 ARG A 721 8.360 3.661 119.903 1.00 0.00 H ATOM 1092 HH22 ARG A 721 7.542 3.770 123.358 1.00 0.00 H ATOM 1093 HH21 ARG A 721 7.560 5.570 123.440 1.00 0.00 H ATOM 1094 H ARG A 721 10.178 8.674 115.702 1.00 0.00 H ATOM 1095 N GLY A 722 10.381 5.410 116.287 1.00 29.27 N ATOM 1096 CA GLY A 722 10.567 3.974 116.109 1.00 29.17 C ATOM 1097 C GLY A 722 12.032 3.580 116.035 1.00 31.00 C ATOM 1098 O GLY A 722 12.459 2.603 116.659 1.00 30.81 O ATOM 1099 H GLY A 722 9.901 5.968 115.552 1.00 0.00 H ATOM 1100 N ILE A 723 12.823 4.332 115.266 1.00 27.79 N ATOM 1101 CA ILE A 723 14.259 4.069 115.187 1.00 27.42 C ATOM 1102 C ILE A 723 14.896 4.197 116.563 1.00 28.61 C ATOM 1103 O ILE A 723 15.749 3.384 116.952 1.00 30.92 O ATOM 1104 CB ILE A 723 14.925 5.027 114.182 1.00 26.22 C ATOM 1105 CG1 ILE A 723 14.402 4.808 112.759 1.00 23.11 C ATOM 1106 CG2 ILE A 723 16.453 4.922 114.249 1.00 29.10 C ATOM 1107 CD1 ILE A 723 14.764 5.974 111.812 1.00 27.76 C ATOM 1108 H ILE A 723 12.413 5.114 114.717 1.00 0.00 H ATOM 1109 N ALA A 724 14.506 5.230 117.313 1.00 29.23 N ATOM 1110 CA ALA A 724 15.085 5.431 118.637 1.00 28.77 C ATOM 1111 C ALA A 724 14.701 4.303 119.580 1.00 28.97 C ATOM 1112 O ALA A 724 15.513 3.869 120.401 1.00 31.05 O ATOM 1113 CB ALA A 724 14.638 6.764 119.225 1.00 30.41 C ATOM 1114 H ALA A 724 13.789 5.892 116.953 1.00 0.00 H ATOM 1115 N ALA A 725 13.466 3.821 119.479 1.00 30.33 N ATOM 1116 CA ALA A 725 13.047 2.715 120.333 1.00 30.56 C ATOM 1117 C ALA A 725 13.835 1.445 120.030 1.00 33.31 C ATOM 1118 O ALA A 725 14.190 0.699 120.950 1.00 32.48 O ATOM 1119 CB ALA A 725 11.543 2.494 120.181 1.00 30.51 C ATOM 1120 H ALA A 725 12.801 4.231 118.793 1.00 0.00 H ATOM 1121 N GLY A 726 14.134 1.181 118.756 1.00 27.57 N ATOM 1122 CA GLY A 726 15.000 0.048 118.442 1.00 25.04 C ATOM 1123 C GLY A 726 16.407 0.227 118.993 1.00 29.90 C ATOM 1124 O GLY A 726 16.998 -0.709 119.541 1.00 29.20 O ATOM 1125 H GLY A 726 13.753 1.777 117.994 1.00 0.00 H ATOM 1126 N MET A 727 16.968 1.432 118.844 1.00 26.53 N ATOM 1127 CA MET A 727 18.301 1.706 119.368 1.00 27.17 C ATOM 1128 C MET A 727 18.334 1.642 120.894 1.00 30.91 C ATOM 1129 O MET A 727 19.329 1.193 121.473 1.00 29.12 O ATOM 1130 CB MET A 727 18.778 3.081 118.892 1.00 31.41 C ATOM 1131 CG MET A 727 19.065 3.133 117.405 1.00 26.97 C ATOM 1132 SD MET A 727 20.242 1.935 116.818 1.00 30.28 S ATOM 1133 CE MET A 727 21.683 2.194 117.860 1.00 28.18 C ATOM 1134 H MET A 727 16.447 2.183 118.348 1.00 0.00 H ATOM 1135 N LYS A 728 17.288 2.137 121.563 1.00 30.44 N ATOM 1136 CA LYS A 728 17.242 2.023 123.023 1.00 35.98 C ATOM 1137 C LYS A 728 17.299 0.560 123.452 1.00 37.62 C ATOM 1138 O LYS A 728 17.965 0.208 124.436 1.00 36.07 O ATOM 1139 CB LYS A 728 15.982 2.687 123.567 1.00 37.67 C ATOM 1140 CG LYS A 728 15.653 2.289 125.008 1.00 41.45 C ATOM 1141 CD LYS A 728 14.403 2.994 125.521 1.00 43.67 C ATOM 1142 CE LYS A 728 13.736 2.200 126.644 1.00 46.18 C ATOM 1143 NZ LYS A 728 12.446 2.816 127.075 1.00 50.84 N ATOM 1144 HZ1 LYS A 728 12.622 3.781 127.419 1.00 0.00 H ATOM 1145 HZ2 LYS A 728 11.792 2.849 126.267 1.00 0.00 H ATOM 1146 HZ3 LYS A 728 12.028 2.245 127.838 1.00 0.00 H ATOM 1147 H LYS A 728 16.511 2.601 121.050 1.00 0.00 H ATOM 1148 N TYR A 729 16.611 -0.309 122.713 1.00 34.59 N ATOM 1149 CA TYR A 729 16.688 -1.741 122.983 1.00 34.09 C ATOM 1150 C TYR A 729 18.103 -2.261 122.775 1.00 34.61 C ATOM 1151 O TYR A 729 18.644 -2.987 123.617 1.00 35.41 O ATOM 1152 CB TYR A 729 15.701 -2.475 122.084 1.00 32.09 C ATOM 1153 CG TYR A 729 15.746 -3.982 122.183 1.00 33.74 C ATOM 1154 CD1 TYR A 729 14.868 -4.664 123.018 1.00 36.00 C ATOM 1155 CD2 TYR A 729 16.636 -4.722 121.427 1.00 35.62 C ATOM 1156 CE1 TYR A 729 14.891 -6.046 123.106 1.00 37.77 C ATOM 1157 CE2 TYR A 729 16.667 -6.113 121.503 1.00 36.87 C ATOM 1158 CZ TYR A 729 15.790 -6.761 122.341 1.00 37.69 C ATOM 1159 OH TYR A 729 15.817 -8.127 122.424 1.00 39.56 O ATOM 1160 HH TYR A 729 15.128 -8.431 123.066 1.00 0.00 H ATOM 1161 H TYR A 729 16.013 0.037 121.936 1.00 0.00 H ATOM 1162 N LEU A 730 18.715 -1.922 121.641 1.00 34.97 N ATOM 1163 CA LEU A 730 20.096 -2.328 121.410 1.00 30.33 C ATOM 1164 C LEU A 730 21.015 -1.829 122.523 1.00 36.93 C ATOM 1165 O LEU A 730 21.839 -2.595 123.046 1.00 34.01 O ATOM 1166 CB LEU A 730 20.571 -1.820 120.045 1.00 31.51 C ATOM 1167 CG LEU A 730 19.932 -2.517 118.843 1.00 30.27 C ATOM 1168 CD1 LEU A 730 20.438 -1.893 117.548 1.00 29.44 C ATOM 1169 CD2 LEU A 730 20.222 -4.040 118.858 1.00 30.25 C ATOM 1170 H LEU A 730 18.208 -1.368 120.921 1.00 0.00 H ATOM 1171 N ALA A 731 20.880 -0.554 122.906 1.00 31.10 N ATOM 1172 CA ALA A 731 21.728 -0.009 123.964 1.00 37.40 C ATOM 1173 C ALA A 731 21.554 -0.789 125.262 1.00 41.88 C ATOM 1174 O ALA A 731 22.537 -1.087 125.952 1.00 38.09 O ATOM 1175 CB ALA A 731 21.424 1.474 124.185 1.00 33.13 C ATOM 1176 H ALA A 731 20.169 0.052 122.449 1.00 0.00 H ATOM 1177 N ASN A 732 20.312 -1.141 125.603 1.00 37.49 N ATOM 1178 CA ASN A 732 20.055 -1.916 126.812 1.00 42.17 C ATOM 1179 C ASN A 732 20.600 -3.332 126.728 1.00 37.20 C ATOM 1180 O ASN A 732 20.696 -4.004 127.763 1.00 44.22 O ATOM 1181 CB ASN A 732 18.557 -1.966 127.118 1.00 42.79 C ATOM 1182 CG ASN A 732 18.020 -0.641 127.595 1.00 44.63 C ATOM 1183 OD1 ASN A 732 18.774 0.193 128.091 1.00 51.72 O ATOM 1184 ND2 ASN A 732 16.710 -0.438 127.459 1.00 48.20 N ATOM 1185 HD22 ASN A 732 16.111 -1.174 127.033 1.00 0.00 H ATOM 1186 HD21 ASN A 732 16.286 0.456 127.779 1.00 0.00 H ATOM 1187 H ASN A 732 19.515 -0.858 124.997 1.00 0.00 H ATOM 1188 N MET A 733 20.952 -3.803 125.533 1.00 36.59 N ATOM 1189 CA MET A 733 21.616 -5.083 125.350 1.00 34.59 C ATOM 1190 C MET A 733 23.118 -4.934 125.243 1.00 34.81 C ATOM 1191 O MET A 733 23.804 -5.905 124.915 1.00 38.88 O ATOM 1192 CB MET A 733 21.083 -5.795 124.108 1.00 37.34 C ATOM 1193 CG MET A 733 19.597 -6.056 124.141 1.00 39.63 C ATOM 1194 SD MET A 733 19.128 -7.107 125.543 1.00 41.21 S ATOM 1195 CE MET A 733 17.686 -6.235 126.125 1.00 48.35 C ATOM 1196 H MET A 733 20.742 -3.228 124.692 1.00 0.00 H ATOM 1197 N ASN A 734 23.639 -3.737 125.493 1.00 38.90 N ATOM 1198 CA ASN A 734 25.066 -3.452 125.373 1.00 36.96 C ATOM 1199 C ASN A 734 25.571 -3.702 123.947 1.00 40.60 C ATOM 1200 O ASN A 734 26.729 -4.074 123.738 1.00 37.39 O ATOM 1201 CB ASN A 734 25.867 -4.267 126.397 1.00 47.77 C ATOM 1202 CG ASN A 734 27.247 -3.708 126.646 1.00 53.47 C ATOM 1203 OD1 ASN A 734 27.390 -2.619 127.193 1.00 51.21 O ATOM 1204 ND2 ASN A 734 28.275 -4.467 126.270 1.00 56.80 N ATOM 1205 HD22 ASN A 734 28.104 -5.384 125.809 1.00 0.00 H ATOM 1206 HD21 ASN A 734 29.249 -4.143 126.437 1.00 0.00 H ATOM 1207 H ASN A 734 23.002 -2.969 125.787 1.00 0.00 H ATOM 1208 N TYR A 735 24.713 -3.488 122.945 1.00 35.16 N ATOM 1209 CA TYR A 735 25.099 -3.633 121.546 1.00 32.25 C ATOM 1210 C TYR A 735 25.315 -2.253 120.940 1.00 33.73 C ATOM 1211 O TYR A 735 24.397 -1.423 120.960 1.00 30.93 O ATOM 1212 CB TYR A 735 24.038 -4.381 120.737 1.00 30.11 C ATOM 1213 CG TYR A 735 24.493 -4.613 119.308 1.00 32.74 C ATOM 1214 CD1 TYR A 735 25.282 -5.704 118.984 1.00 35.91 C ATOM 1215 CD2 TYR A 735 24.154 -3.723 118.289 1.00 32.13 C ATOM 1216 CE1 TYR A 735 25.724 -5.915 117.691 1.00 38.60 C ATOM 1217 CE2 TYR A 735 24.591 -3.924 116.992 1.00 30.76 C ATOM 1218 CZ TYR A 735 25.367 -5.022 116.693 1.00 31.72 C ATOM 1219 OH TYR A 735 25.810 -5.239 115.406 1.00 31.91 O ATOM 1220 HH TYR A 735 26.366 -4.473 115.116 1.00 0.00 H ATOM 1221 H TYR A 735 23.737 -3.209 123.170 1.00 0.00 H ATOM 1222 N VAL A 736 26.507 -2.022 120.379 1.00 32.30 N ATOM 1223 CA VAL A 736 26.834 -0.762 119.710 1.00 31.29 C ATOM 1224 C VAL A 736 26.749 -0.986 118.207 1.00 30.68 C ATOM 1225 O VAL A 736 27.367 -1.918 117.665 1.00 30.36 O ATOM 1226 CB VAL A 736 28.223 -0.242 120.123 1.00 35.83 C ATOM 1227 CG1 VAL A 736 28.559 1.057 119.362 1.00 31.89 C ATOM 1228 CG2 VAL A 736 28.252 0.024 121.630 1.00 39.70 C ATOM 1229 H VAL A 736 27.231 -2.768 120.420 1.00 0.00 H ATOM 1230 N HIS A 737 25.949 -0.164 117.535 1.00 28.90 N ATOM 1231 CA HIS A 737 25.634 -0.436 116.137 1.00 25.12 C ATOM 1232 C HIS A 737 26.797 -0.082 115.218 1.00 25.47 C ATOM 1233 O HIS A 737 27.201 -0.889 114.370 1.00 29.25 O ATOM 1234 CB HIS A 737 24.366 0.334 115.734 1.00 30.19 C ATOM 1235 CG HIS A 737 23.826 -0.070 114.404 1.00 27.14 C ATOM 1236 ND1 HIS A 737 24.491 0.184 113.224 1.00 27.84 N ATOM 1237 CD2 HIS A 737 22.684 -0.714 114.065 1.00 26.55 C ATOM 1238 CE1 HIS A 737 23.791 -0.308 112.214 1.00 25.55 C ATOM 1239 NE2 HIS A 737 22.685 -0.848 112.699 1.00 26.06 N ATOM 1240 H HIS A 737 25.548 0.672 118.006 1.00 0.00 H ATOM 1241 N ARG A 738 27.330 1.131 115.362 1.00 29.08 N ATOM 1242 CA ARG A 738 28.470 1.711 114.652 1.00 28.93 C ATOM 1243 C ARG A 738 28.143 2.144 113.223 1.00 29.63 C ATOM 1244 O ARG A 738 28.961 2.831 112.608 1.00 27.76 O ATOM 1245 CB ARG A 738 29.700 0.786 114.602 1.00 28.92 C ATOM 1246 CG ARG A 738 30.131 0.235 115.960 1.00 30.60 C ATOM 1247 CD ARG A 738 31.530 -0.346 115.836 1.00 39.08 C ATOM 1248 NE ARG A 738 31.969 -0.971 117.071 1.00 45.45 N ATOM 1249 CZ ARG A 738 33.231 -1.284 117.335 1.00 55.46 C ATOM 1250 NH1 ARG A 738 34.180 -1.015 116.445 1.00 49.29 N ATOM 1251 NH2 ARG A 738 33.543 -1.859 118.489 1.00 56.67 N ATOM 1252 HE ARG A 738 31.251 -1.186 117.792 1.00 0.00 H ATOM 1253 HH12 ARG A 738 35.170 -1.260 116.650 1.00 0.00 H ATOM 1254 HH11 ARG A 738 33.933 -0.560 115.543 1.00 0.00 H ATOM 1255 HH22 ARG A 738 34.532 -2.105 118.697 1.00 0.00 H ATOM 1256 HH21 ARG A 738 32.799 -2.064 119.186 1.00 0.00 H ATOM 1257 H ARG A 738 26.877 1.744 116.070 1.00 0.00 H ATOM 1258 N ASP A 739 26.984 1.800 112.676 1.00 27.63 N ATOM 1259 CA ASP A 739 26.645 2.183 111.304 1.00 29.37 C ATOM 1260 C ASP A 739 25.190 2.630 111.237 1.00 25.98 C ATOM 1261 O ASP A 739 24.443 2.258 110.337 1.00 25.25 O ATOM 1262 CB ASP A 739 26.913 1.038 110.323 1.00 26.67 C ATOM 1263 CG ASP A 739 26.928 1.508 108.870 1.00 29.04 C ATOM 1264 OD1 ASP A 739 26.955 2.735 108.663 1.00 26.29 O ATOM 1265 OD2 ASP A 739 26.928 0.673 107.935 1.00 25.80 O ATOM 1266 H ASP A 739 26.302 1.247 113.233 1.00 0.00 H ATOM 1267 N LEU A 740 24.769 3.447 112.203 1.00 22.16 N ATOM 1268 CA LEU A 740 23.384 3.887 112.264 1.00 26.48 C ATOM 1269 C LEU A 740 23.214 5.007 111.242 1.00 26.27 C ATOM 1270 O LEU A 740 23.804 6.081 111.378 1.00 27.19 O ATOM 1271 CB LEU A 740 23.004 4.345 113.671 1.00 25.83 C ATOM 1272 CG LEU A 740 21.623 4.997 113.856 1.00 23.23 C ATOM 1273 CD1 LEU A 740 20.451 4.141 113.296 1.00 25.22 C ATOM 1274 CD2 LEU A 740 21.402 5.343 115.319 1.00 26.51 C ATOM 1275 H LEU A 740 25.442 3.775 112.925 1.00 0.00 H ATOM 1276 N ALA A 741 22.440 4.733 110.204 1.00 24.37 N ATOM 1277 CA ALA A 741 22.288 5.634 109.069 1.00 22.41 C ATOM 1278 C ALA A 741 20.986 5.229 108.415 1.00 26.20 C ATOM 1279 O ALA A 741 20.582 4.071 108.515 1.00 22.73 O ATOM 1280 CB ALA A 741 23.453 5.504 108.089 1.00 25.10 C ATOM 1281 H ALA A 741 21.917 3.834 110.198 1.00 0.00 H ATOM 1282 N ALA A 742 20.328 6.184 107.756 1.00 23.88 N ATOM 1283 CA ALA A 742 19.034 5.890 107.147 1.00 23.94 C ATOM 1284 C ALA A 742 19.112 4.738 106.145 1.00 25.57 C ATOM 1285 O ALA A 742 18.129 4.010 105.967 1.00 28.25 O ATOM 1286 CB ALA A 742 18.464 7.162 106.489 1.00 26.11 C ATOM 1287 H ALA A 742 20.736 7.137 107.676 1.00 0.00 H ATOM 1288 N ARG A 743 20.264 4.530 105.507 1.00 25.56 N ATOM 1289 CA ARG A 743 20.404 3.400 104.595 1.00 23.26 C ATOM 1290 C ARG A 743 20.297 2.061 105.320 1.00 27.60 C ATOM 1291 O ARG A 743 20.054 1.039 104.669 1.00 28.77 O ATOM 1292 CB ARG A 743 21.740 3.466 103.840 1.00 26.00 C ATOM 1293 CG ARG A 743 22.962 3.318 104.748 1.00 27.68 C ATOM 1294 CD ARG A 743 24.318 3.346 103.998 1.00 29.52 C ATOM 1295 NE ARG A 743 25.370 3.507 105.003 1.00 24.12 N ATOM 1296 CZ ARG A 743 25.728 4.676 105.505 1.00 27.84 C ATOM 1297 NH1 ARG A 743 25.167 5.793 105.043 1.00 29.13 N ATOM 1298 NH2 ARG A 743 26.641 4.730 106.461 1.00 25.42 N ATOM 1299 HE ARG A 743 25.862 2.655 105.340 1.00 0.00 H ATOM 1300 HH12 ARG A 743 25.445 6.715 105.435 1.00 0.00 H ATOM 1301 HH11 ARG A 743 24.451 5.742 104.291 1.00 0.00 H ATOM 1302 HH22 ARG A 743 26.925 5.648 106.858 1.00 0.00 H ATOM 1303 HH21 ARG A 743 27.075 3.854 106.816 1.00 0.00 H ATOM 1304 H ARG A 743 21.065 5.175 105.660 1.00 0.00 H ATOM 1305 N ASN A 744 20.472 2.037 106.639 1.00 24.93 N ATOM 1306 CA ASN A 744 20.356 0.804 107.413 1.00 27.22 C ATOM 1307 C ASN A 744 19.041 0.718 108.182 1.00 25.55 C ATOM 1308 O ASN A 744 18.859 -0.201 109.001 1.00 27.10 O ATOM 1309 CB ASN A 744 21.550 0.652 108.370 1.00 26.32 C ATOM 1310 CG ASN A 744 22.793 0.135 107.667 1.00 28.50 C ATOM 1311 OD1 ASN A 744 22.714 -0.691 106.747 1.00 28.95 O ATOM 1312 ND2 ASN A 744 23.945 0.620 108.090 1.00 27.74 N ATOM 1313 HD22 ASN A 744 23.964 1.312 108.866 1.00 0.00 H ATOM 1314 HD21 ASN A 744 24.834 0.310 107.647 1.00 0.00 H ATOM 1315 H ASN A 744 20.698 2.923 107.134 1.00 0.00 H ATOM 1316 N ILE A 745 18.104 1.623 107.913 1.00 22.34 N ATOM 1317 CA ILE A 745 16.763 1.554 108.471 1.00 22.27 C ATOM 1318 C ILE A 745 15.834 1.041 107.385 1.00 27.42 C ATOM 1319 O ILE A 745 15.805 1.588 106.274 1.00 28.34 O ATOM 1320 CB ILE A 745 16.290 2.924 108.977 1.00 23.10 C ATOM 1321 CG1 ILE A 745 17.294 3.515 109.975 1.00 25.57 C ATOM 1322 CG2 ILE A 745 14.846 2.812 109.543 1.00 22.84 C ATOM 1323 CD1 ILE A 745 17.516 2.625 111.192 1.00 23.66 C ATOM 1324 H ILE A 745 18.340 2.412 107.278 1.00 0.00 H ATOM 1325 N LEU A 746 15.050 0.024 107.708 1.00 22.54 N ATOM 1326 CA LEU A 746 14.097 -0.540 106.769 1.00 21.83 C ATOM 1327 C LEU A 746 12.685 -0.106 107.135 1.00 24.03 C ATOM 1328 O LEU A 746 12.378 0.129 108.303 1.00 27.10 O ATOM 1329 CB LEU A 746 14.192 -2.068 106.771 1.00 24.09 C ATOM 1330 CG LEU A 746 15.536 -2.566 106.267 1.00 32.34 C ATOM 1331 CD1 LEU A 746 15.705 -4.033 106.650 1.00 29.93 C ATOM 1332 CD2 LEU A 746 15.617 -2.408 104.773 1.00 38.68 C ATOM 1333 H LEU A 746 15.119 -0.383 108.663 1.00 0.00 H ATOM 1334 N VAL A 747 11.822 -0.007 106.125 1.00 26.03 N ATOM 1335 CA VAL A 747 10.474 0.539 106.276 1.00 21.70 C ATOM 1336 C VAL A 747 9.455 -0.480 105.749 1.00 24.94 C ATOM 1337 O VAL A 747 9.555 -0.924 104.599 1.00 29.89 O ATOM 1338 CB VAL A 747 10.336 1.869 105.520 1.00 25.63 C ATOM 1339 CG1 VAL A 747 8.969 2.497 105.813 1.00 27.60 C ATOM 1340 CG2 VAL A 747 11.500 2.837 105.892 1.00 22.86 C ATOM 1341 H VAL A 747 12.121 -0.334 105.184 1.00 0.00 H ATOM 1342 N ASN A 748 8.474 -0.843 106.567 1.00 27.28 N ATOM 1343 CA ASN A 748 7.462 -1.787 106.084 1.00 33.85 C ATOM 1344 C ASN A 748 6.239 -1.021 105.555 1.00 30.95 C ATOM 1345 O ASN A 748 6.226 0.208 105.499 1.00 31.09 O ATOM 1346 CB ASN A 748 7.116 -2.838 107.156 1.00 35.10 C ATOM 1347 CG ASN A 748 6.279 -2.299 108.314 1.00 36.43 C ATOM 1348 OD1 ASN A 748 5.714 -1.208 108.263 1.00 32.72 O ATOM 1349 ND2 ASN A 748 6.196 -3.099 109.382 1.00 34.79 N ATOM 1350 HD22 ASN A 748 6.689 -4.015 109.385 1.00 0.00 H ATOM 1351 HD21 ASN A 748 5.638 -2.806 110.209 1.00 0.00 H ATOM 1352 H ASN A 748 8.425 -0.464 107.534 1.00 0.00 H ATOM 1353 N SER A 749 5.204 -1.757 105.126 1.00 35.90 N ATOM 1354 CA SER A 749 4.090 -1.097 104.448 1.00 35.98 C ATOM 1355 C SER A 749 3.307 -0.194 105.388 1.00 42.33 C ATOM 1356 O SER A 749 2.715 0.796 104.940 1.00 46.57 O ATOM 1357 CB SER A 749 3.170 -2.133 103.790 1.00 45.93 C ATOM 1358 OG SER A 749 3.050 -3.301 104.574 1.00 48.41 O ATOM 1359 HG SER A 749 3.944 -3.710 104.694 1.00 0.00 H ATOM 1360 H SER A 749 5.194 -2.786 105.274 1.00 0.00 H ATOM 1361 N ASN A 750 3.312 -0.486 106.685 1.00 37.76 N ATOM 1362 CA ASN A 750 2.692 0.408 107.655 1.00 40.55 C ATOM 1363 C ASN A 750 3.599 1.577 108.054 1.00 40.92 C ATOM 1364 O ASN A 750 3.248 2.312 108.982 1.00 39.80 O ATOM 1365 CB ASN A 750 2.263 -0.386 108.896 1.00 43.94 C ATOM 1366 CG ASN A 750 1.320 -1.554 108.555 1.00 55.09 C ATOM 1367 OD1 ASN A 750 0.522 -1.472 107.617 1.00 52.50 O ATOM 1368 ND2 ASN A 750 1.416 -2.640 109.316 1.00 53.96 N ATOM 1369 HD22 ASN A 750 2.102 -2.669 110.097 1.00 0.00 H ATOM 1370 HD21 ASN A 750 0.805 -3.461 109.130 1.00 0.00 H ATOM 1371 H ASN A 750 3.764 -1.364 107.012 1.00 0.00 H ATOM 1372 N LEU A 751 4.736 1.769 107.372 1.00 38.88 N ATOM 1373 CA LEU A 751 5.708 2.831 107.651 1.00 34.59 C ATOM 1374 C LEU A 751 6.433 2.636 108.980 1.00 35.97 C ATOM 1375 O LEU A 751 7.035 3.586 109.516 1.00 31.88 O ATOM 1376 CB LEU A 751 5.068 4.226 107.625 1.00 42.15 C ATOM 1377 CG LEU A 751 4.432 4.624 106.292 1.00 44.00 C ATOM 1378 CD1 LEU A 751 4.044 6.078 106.310 1.00 45.94 C ATOM 1379 CD2 LEU A 751 5.372 4.333 105.142 1.00 41.97 C ATOM 1380 H LEU A 751 4.944 1.118 106.588 1.00 0.00 H ATOM 1381 N VAL A 752 6.414 1.421 109.522 1.00 32.91 N ATOM 1382 CA VAL A 752 7.227 1.119 110.693 1.00 30.51 C ATOM 1383 C VAL A 752 8.691 1.028 110.282 1.00 26.12 C ATOM 1384 O VAL A 752 9.047 0.304 109.344 1.00 26.00 O ATOM 1385 CB VAL A 752 6.758 -0.186 111.353 1.00 34.36 C ATOM 1386 CG1 VAL A 752 7.683 -0.525 112.514 1.00 30.19 C ATOM 1387 CG2 VAL A 752 5.308 -0.046 111.832 1.00 35.93 C ATOM 1388 H VAL A 752 5.814 0.680 109.106 1.00 0.00 H ATOM 1389 N CYS A 753 9.551 1.764 110.989 1.00 28.88 N ATOM 1390 CA CYS A 753 10.985 1.778 110.727 1.00 26.62 C ATOM 1391 C CYS A 753 11.691 0.822 111.677 1.00 27.99 C ATOM 1392 O CYS A 753 11.417 0.820 112.882 1.00 29.24 O ATOM 1393 CB CYS A 753 11.554 3.184 110.899 1.00 28.95 C ATOM 1394 SG CYS A 753 10.927 4.335 109.675 1.00 31.43 S ATOM 1395 H CYS A 753 9.182 2.354 111.762 1.00 0.00 H ATOM 1396 N LYS A 754 12.615 0.035 111.137 1.00 23.99 N ATOM 1397 CA LYS A 754 13.326 -0.965 111.929 1.00 25.18 C ATOM 1398 C LYS A 754 14.819 -0.927 111.649 1.00 25.88 C ATOM 1399 O LYS A 754 15.257 -0.821 110.494 1.00 25.38 O ATOM 1400 CB LYS A 754 12.777 -2.370 111.668 1.00 24.24 C ATOM 1401 CG LYS A 754 11.245 -2.442 111.849 1.00 28.29 C ATOM 1402 CD LYS A 754 10.724 -3.878 111.802 1.00 26.82 C ATOM 1403 CE LYS A 754 9.211 -3.914 111.881 1.00 30.23 C ATOM 1404 NZ LYS A 754 8.747 -5.222 112.423 1.00 31.69 N ATOM 1405 HZ1 LYS A 754 9.071 -5.989 111.800 1.00 0.00 H ATOM 1406 HZ2 LYS A 754 9.139 -5.359 113.377 1.00 0.00 H ATOM 1407 HZ3 LYS A 754 7.708 -5.228 112.470 1.00 0.00 H ATOM 1408 H LYS A 754 12.837 0.133 110.126 1.00 0.00 H ATOM 1409 N VAL A 755 15.597 -1.066 112.725 1.00 23.91 N ATOM 1410 CA VAL A 755 17.046 -1.017 112.630 1.00 25.48 C ATOM 1411 C VAL A 755 17.564 -2.313 112.027 1.00 26.53 C ATOM 1412 O VAL A 755 17.103 -3.415 112.370 1.00 28.31 O ATOM 1413 CB VAL A 755 17.643 -0.758 114.025 1.00 27.79 C ATOM 1414 CG1 VAL A 755 19.171 -0.821 114.004 1.00 24.89 C ATOM 1415 CG2 VAL A 755 17.166 0.596 114.553 1.00 25.07 C ATOM 1416 H VAL A 755 15.155 -1.213 113.655 1.00 0.00 H ATOM 1417 N SER A 756 18.522 -2.195 111.117 1.00 24.53 N ATOM 1418 CA SER A 756 19.214 -3.359 110.588 1.00 28.44 C ATOM 1419 C SER A 756 20.685 -3.013 110.409 1.00 29.29 C ATOM 1420 O SER A 756 21.121 -1.881 110.650 1.00 26.19 O ATOM 1421 CB SER A 756 18.588 -3.834 109.269 1.00 26.39 C ATOM 1422 OG SER A 756 18.892 -2.930 108.228 1.00 29.32 O ATOM 1423 HG SER A 756 18.532 -2.036 108.453 1.00 0.00 H ATOM 1424 H SER A 756 18.784 -1.249 110.774 1.00 0.00 H ATOM 1425 N ASP A 757 21.471 -4.013 109.999 1.00 26.65 N ATOM 1426 CA ASP A 757 22.837 -3.753 109.554 1.00 27.28 C ATOM 1427 C ASP A 757 23.156 -4.791 108.488 1.00 34.35 C ATOM 1428 O ASP A 757 23.610 -5.896 108.799 1.00 31.68 O ATOM 1429 CB ASP A 757 23.848 -3.784 110.690 1.00 29.14 C ATOM 1430 CG ASP A 757 25.265 -3.401 110.225 1.00 33.20 C ATOM 1431 OD1 ASP A 757 26.180 -3.364 111.064 1.00 31.29 O ATOM 1432 OD2 ASP A 757 25.472 -3.149 109.020 1.00 27.76 O ATOM 1433 H ASP A 757 21.106 -4.987 109.997 1.00 0.00 H ATOM 1434 N PHE A 758 22.946 -4.399 107.233 1.00 32.09 N ATOM 1435 CA PHE A 758 23.241 -5.304 106.133 1.00 38.57 C ATOM 1436 C PHE A 758 24.702 -5.728 106.135 1.00 32.35 C ATOM 1437 O PHE A 758 25.018 -6.866 105.761 1.00 42.46 O ATOM 1438 CB PHE A 758 22.885 -4.652 104.800 1.00 38.67 C ATOM 1439 CG PHE A 758 22.993 -5.590 103.642 1.00 51.56 C ATOM 1440 CD1 PHE A 758 24.059 -5.507 102.767 1.00 54.88 C ATOM 1441 CD2 PHE A 758 22.041 -6.586 103.449 1.00 47.23 C ATOM 1442 CE1 PHE A 758 24.167 -6.377 101.701 1.00 56.24 C ATOM 1443 CE2 PHE A 758 22.142 -7.451 102.388 1.00 47.19 C ATOM 1444 CZ PHE A 758 23.208 -7.350 101.516 1.00 54.51 C ATOM 1445 H PHE A 758 22.572 -3.448 107.040 1.00 0.00 H ATOM 1446 N GLY A 759 25.587 -4.864 106.616 1.00 28.79 N ATOM 1447 CA GLY A 759 26.996 -5.156 106.664 1.00 31.30 C ATOM 1448 C GLY A 759 27.817 -4.444 105.622 1.00 32.12 C ATOM 1449 O GLY A 759 28.906 -4.925 105.287 1.00 35.63 O ATOM 1450 H GLY A 759 25.252 -3.945 106.970 1.00 0.00 H ATOM 1451 N LEU A 760 27.326 -3.316 105.090 1.00 27.67 N ATOM 1452 CA LEU A 760 28.066 -2.597 104.059 1.00 36.17 C ATOM 1453 C LEU A 760 29.445 -2.165 104.536 1.00 38.75 C ATOM 1454 O LEU A 760 30.385 -2.098 103.735 1.00 40.91 O ATOM 1455 CB LEU A 760 27.258 -1.387 103.594 1.00 35.92 C ATOM 1456 CG LEU A 760 25.994 -1.752 102.794 1.00 47.39 C ATOM 1457 CD1 LEU A 760 25.619 -0.624 101.856 1.00 54.71 C ATOM 1458 CD2 LEU A 760 26.247 -3.010 101.985 1.00 45.63 C ATOM 1459 H LEU A 760 26.409 -2.950 105.415 1.00 0.00 H ATOM 1460 N SER A 761 29.595 -1.879 105.829 1.00 30.51 N ATOM 1461 CA SER A 761 30.894 -1.458 106.344 1.00 30.45 C ATOM 1462 C SER A 761 31.906 -2.593 106.367 1.00 42.07 C ATOM 1463 O SER A 761 33.103 -2.339 106.549 1.00 39.19 O ATOM 1464 CB SER A 761 30.756 -0.911 107.758 1.00 29.30 C ATOM 1465 OG SER A 761 30.497 -1.998 108.635 1.00 28.54 O ATOM 1466 HG SER A 761 29.659 -2.448 108.362 1.00 0.00 H ATOM 1467 H SER A 761 28.783 -1.956 106.474 1.00 0.00 H ATOM 1468 N ARG A 762 31.461 -3.834 106.202 1.00 35.55 N ATOM 1469 CA ARG A 762 32.361 -4.973 106.331 1.00 36.31 C ATOM 1470 C ARG A 762 32.571 -5.692 105.011 1.00 45.00 C ATOM 1471 O ARG A 762 33.159 -6.778 104.989 1.00 50.13 O ATOM 1472 CB ARG A 762 31.851 -5.924 107.409 1.00 37.91 C ATOM 1473 CG ARG A 762 32.116 -5.373 108.801 1.00 40.75 C ATOM 1474 CD ARG A 762 31.469 -6.185 109.895 1.00 41.61 C ATOM 1475 NE ARG A 762 30.016 -6.125 109.834 1.00 42.60 N ATOM 1476 CZ ARG A 762 29.288 -5.163 110.391 1.00 46.44 C ATOM 1477 NH1 ARG A 762 29.883 -4.165 111.038 1.00 42.37 N ATOM 1478 NH2 ARG A 762 27.966 -5.194 110.295 1.00 45.72 N ATOM 1479 HE ARG A 762 29.517 -6.881 109.323 1.00 0.00 H ATOM 1480 HH12 ARG A 762 29.311 -3.413 111.473 1.00 0.00 H ATOM 1481 HH11 ARG A 762 30.920 -4.136 111.109 1.00 0.00 H ATOM 1482 HH22 ARG A 762 27.395 -4.442 110.731 1.00 0.00 H ATOM 1483 HH21 ARG A 762 27.500 -5.971 109.784 1.00 0.00 H ATOM 1484 H ARG A 762 30.458 -3.995 105.978 1.00 0.00 H ATOM 1485 N VAL A 763 32.127 -5.102 103.908 1.00 46.60 N ATOM 1486 CA VAL A 763 32.540 -5.560 102.590 1.00 60.26 C ATOM 1487 C VAL A 763 33.896 -4.928 102.293 1.00 66.73 C ATOM 1488 O VAL A 763 34.072 -3.710 102.410 1.00 68.10 O ATOM 1489 CB VAL A 763 31.485 -5.225 101.521 1.00 54.54 C ATOM 1490 CG1 VAL A 763 30.108 -5.652 102.003 1.00 53.06 C ATOM 1491 CG2 VAL A 763 31.457 -3.752 101.169 1.00 64.00 C ATOM 1492 H VAL A 763 31.472 -4.298 103.987 1.00 0.00 H ATOM 1493 N LEU A 764 34.879 -5.766 101.986 1.00 69.85 N ATOM 1494 CA LEU A 764 36.248 -5.322 101.774 1.00 76.47 C ATOM 1495 C LEU A 764 36.646 -5.613 100.338 1.00 71.26 C ATOM 1496 O LEU A 764 36.449 -6.729 99.846 1.00 70.33 O ATOM 1497 CB LEU A 764 37.215 -6.013 102.745 1.00 76.70 C ATOM 1498 CG LEU A 764 37.525 -5.364 104.101 1.00 73.85 C ATOM 1499 CD1 LEU A 764 36.363 -4.526 104.635 1.00 72.57 C ATOM 1500 CD2 LEU A 764 37.940 -6.421 105.118 1.00 68.37 C ATOM 1501 H LEU A 764 34.662 -6.779 101.894 1.00 0.00 H ATOM 1502 N GLU A 765 37.190 -4.601 99.667 1.00 76.98 N ATOM 1503 CA GLU A 765 37.766 -4.765 98.341 1.00 81.57 C ATOM 1504 C GLU A 765 39.277 -4.959 98.404 1.00 71.53 C ATOM 1505 O GLU A 765 39.988 -4.638 97.447 1.00 70.89 O ATOM 1506 CB GLU A 765 37.404 -3.572 97.455 1.00 86.89 C ATOM 1507 CG GLU A 765 35.900 -3.403 97.258 1.00 91.59 C ATOM 1508 CD GLU A 765 35.546 -2.694 95.965 1.00 98.86 C ATOM 1509 OE1 GLU A 765 36.176 -1.660 95.659 1.00100.78 O ATOM 1510 OE2 GLU A 765 34.635 -3.172 95.255 1.00102.85 O ATOM 1511 H GLU A 765 37.204 -3.658 100.106 1.00 0.00 H ATOM 1512 N ASP A 766 39.776 -5.476 99.527 1.00 64.27 N ATOM 1513 CA ASP A 766 41.201 -5.741 99.670 1.00 62.38 C ATOM 1514 C ASP A 766 41.616 -6.880 98.756 1.00 55.59 C ATOM 1515 O ASP A 766 40.932 -7.903 98.676 1.00 44.83 O ATOM 1516 CB ASP A 766 41.539 -6.097 101.117 1.00 58.67 C ATOM 1517 CG ASP A 766 41.559 -4.888 102.021 1.00 53.67 C ATOM 1518 OD1 ASP A 766 42.062 -3.837 101.584 1.00 56.16 O ATOM 1519 OD2 ASP A 766 41.079 -4.995 103.166 1.00 62.24 O ATOM 1520 H ASP A 766 39.135 -5.694 100.316 1.00 0.00 H ATOM 1521 N ASP A 767 42.734 -6.700 98.071 1.00 54.42 N ATOM 1522 CA ASP A 767 43.309 -7.792 97.307 1.00 47.84 C ATOM 1523 C ASP A 767 43.568 -8.980 98.232 1.00 45.86 C ATOM 1524 O ASP A 767 43.989 -8.790 99.378 1.00 50.31 O ATOM 1525 CB ASP A 767 44.607 -7.331 96.647 1.00 49.32 C ATOM 1526 CG ASP A 767 45.072 -8.271 95.575 1.00 55.40 C ATOM 1527 OD1 ASP A 767 45.678 -9.307 95.922 1.00 52.39 O ATOM 1528 OD2 ASP A 767 44.832 -7.977 94.386 1.00 62.88 O ATOM 1529 H ASP A 767 43.203 -5.772 98.080 1.00 0.00 H ATOM 1530 N PRO A 768 43.306 -10.213 97.787 1.00 49.98 N ATOM 1531 CA PRO A 768 43.585 -11.378 98.651 1.00 43.13 C ATOM 1532 C PRO A 768 45.049 -11.514 99.016 1.00 47.56 C ATOM 1533 O PRO A 768 45.368 -12.185 100.004 1.00 39.46 O ATOM 1534 CB PRO A 768 43.113 -12.572 97.810 1.00 49.69 C ATOM 1535 CG PRO A 768 42.167 -11.995 96.817 1.00 54.66 C ATOM 1536 CD PRO A 768 42.661 -10.602 96.523 1.00 52.32 C ATOM 1537 N GLU A 769 45.945 -10.878 98.266 1.00 45.26 N ATOM 1538 CA GLU A 769 47.376 -10.936 98.524 1.00 44.76 C ATOM 1539 C GLU A 769 47.941 -9.610 99.024 1.00 46.45 C ATOM 1540 O GLU A 769 49.165 -9.471 99.128 1.00 48.82 O ATOM 1541 CB GLU A 769 48.108 -11.375 97.255 1.00 46.24 C ATOM 1542 CG GLU A 769 47.577 -12.673 96.666 1.00 51.17 C ATOM 1543 CD GLU A 769 48.084 -13.897 97.405 1.00 55.08 C ATOM 1544 OE1 GLU A 769 48.976 -13.746 98.268 1.00 57.82 O ATOM 1545 OE2 GLU A 769 47.605 -15.015 97.112 1.00 57.96 O ATOM 1546 H GLU A 769 45.608 -10.314 97.460 1.00 0.00 H ATOM 1547 N ALA A 770 47.087 -8.639 99.342 1.00 38.98 N ATOM 1548 CA ALA A 770 47.565 -7.318 99.729 1.00 39.38 C ATOM 1549 C ALA A 770 48.412 -7.391 100.995 1.00 33.73 C ATOM 1550 O ALA A 770 48.132 -8.170 101.909 1.00 33.67 O ATOM 1551 CB ALA A 770 46.384 -6.369 99.936 1.00 41.20 C ATOM 1552 H ALA A 770 46.064 -8.826 99.314 1.00 0.00 H ATOM 1553 N THR A 771 49.462 -6.572 101.049 1.00 32.96 N ATOM 1554 CA THR A 771 50.253 -6.513 102.273 1.00 35.21 C ATOM 1555 C THR A 771 49.429 -5.932 103.418 1.00 32.10 C ATOM 1556 O THR A 771 49.430 -6.473 104.531 1.00 28.94 O ATOM 1557 CB THR A 771 51.516 -5.684 102.045 1.00 36.44 C ATOM 1558 OG1 THR A 771 52.337 -6.341 101.075 1.00 42.44 O ATOM 1559 CG2 THR A 771 52.303 -5.528 103.348 1.00 30.57 C ATOM 1560 HG1 THR A 771 53.157 -5.808 100.923 1.00 0.00 H ATOM 1561 H THR A 771 49.714 -5.983 100.230 1.00 0.00 H ATOM 1562 N TYR A 772 48.691 -4.859 103.148 1.00 29.05 N ATOM 1563 CA TYR A 772 47.883 -4.175 104.152 1.00 30.15 C ATOM 1564 C TYR A 772 46.405 -4.395 103.852 1.00 35.41 C ATOM 1565 O TYR A 772 45.970 -4.235 102.707 1.00 33.39 O ATOM 1566 CB TYR A 772 48.201 -2.677 104.178 1.00 30.23 C ATOM 1567 CG TYR A 772 49.632 -2.357 104.558 1.00 31.66 C ATOM 1568 CD1 TYR A 772 50.033 -2.338 105.884 1.00 27.46 C ATOM 1569 CD2 TYR A 772 50.577 -2.070 103.580 1.00 31.70 C ATOM 1570 CE1 TYR A 772 51.357 -2.051 106.226 1.00 25.45 C ATOM 1571 CE2 TYR A 772 51.884 -1.771 103.903 1.00 27.04 C ATOM 1572 CZ TYR A 772 52.269 -1.767 105.216 1.00 29.93 C ATOM 1573 OH TYR A 772 53.568 -1.456 105.525 1.00 28.39 O ATOM 1574 HH TYR A 772 53.691 -1.495 106.507 1.00 0.00 H ATOM 1575 H TYR A 772 48.690 -4.490 102.176 1.00 0.00 H ATOM 1576 N THR A 773 45.639 -4.753 104.880 1.00 33.63 N ATOM 1577 CA THR A 773 44.206 -4.977 104.755 1.00 33.40 C ATOM 1578 C THR A 773 43.460 -4.105 105.756 1.00 46.01 C ATOM 1579 O THR A 773 43.985 -3.735 106.809 1.00 38.94 O ATOM 1580 CB THR A 773 43.835 -6.438 105.006 1.00 42.40 C ATOM 1581 OG1 THR A 773 44.178 -6.774 106.352 1.00 45.88 O ATOM 1582 CG2 THR A 773 44.593 -7.354 104.067 1.00 35.78 C ATOM 1583 HG1 THR A 773 43.679 -6.188 106.975 1.00 0.00 H ATOM 1584 H THR A 773 46.083 -4.878 105.812 1.00 0.00 H ATOM 1585 N THR A 774 42.209 -3.804 105.430 1.00 37.40 N ATOM 1586 CA THR A 774 41.347 -3.104 106.375 1.00 42.91 C ATOM 1587 C THR A 774 41.047 -3.993 107.575 1.00 46.76 C ATOM 1588 O THR A 774 40.645 -5.148 107.415 1.00 46.23 O ATOM 1589 CB THR A 774 40.048 -2.696 105.687 1.00 48.87 C ATOM 1590 OG1 THR A 774 40.358 -1.935 104.510 1.00 50.35 O ATOM 1591 CG2 THR A 774 39.182 -1.882 106.635 1.00 48.26 C ATOM 1592 HG1 THR A 774 39.517 -1.668 104.060 1.00 0.00 H ATOM 1593 H THR A 774 41.841 -4.069 104.494 1.00 0.00 H ATOM 1594 N SER A 775 41.232 -3.463 108.782 1.00 48.14 N ATOM 1595 CA SER A 775 40.963 -4.217 110.003 1.00 61.80 C ATOM 1596 C SER A 775 39.861 -3.539 110.803 1.00 61.51 C ATOM 1597 O SER A 775 39.958 -2.347 111.117 1.00 64.43 O ATOM 1598 CB SER A 775 42.214 -4.360 110.873 1.00 67.65 C ATOM 1599 OG SER A 775 41.936 -5.123 112.040 1.00 73.23 O ATOM 1600 HG SER A 775 42.759 -5.201 112.585 1.00 0.00 H ATOM 1601 H SER A 775 41.578 -2.485 108.857 1.00 0.00 H ATOM 1602 N GLY A 776 38.824 -4.305 111.136 1.00 55.65 N ATOM 1603 CA GLY A 776 37.745 -3.793 111.954 1.00 62.00 C ATOM 1604 C GLY A 776 36.675 -3.029 111.211 1.00 58.70 C ATOM 1605 O GLY A 776 35.978 -2.216 111.824 1.00 67.64 O ATOM 1606 H GLY A 776 38.789 -5.289 110.802 1.00 0.00 H ATOM 1607 N GLY A 777 36.524 -3.256 109.908 1.00 51.94 N ATOM 1608 CA GLY A 777 35.470 -2.616 109.142 1.00 46.64 C ATOM 1609 C GLY A 777 35.732 -1.155 108.847 1.00 46.12 C ATOM 1610 O GLY A 777 36.404 -0.475 109.622 1.00 48.96 O ATOM 1611 H GLY A 777 37.177 -3.907 109.427 1.00 0.00 H ATOM 1612 N LYS A 778 35.222 -0.654 107.727 1.00 39.97 N ATOM 1613 CA LYS A 778 35.408 0.760 107.443 1.00 37.64 C ATOM 1614 C LYS A 778 34.400 1.575 108.244 1.00 35.62 C ATOM 1615 O LYS A 778 33.423 1.048 108.770 1.00 37.14 O ATOM 1616 CB LYS A 778 35.266 1.032 105.951 1.00 35.31 C ATOM 1617 CG LYS A 778 36.042 0.061 105.077 1.00 43.87 C ATOM 1618 CD LYS A 778 35.892 0.395 103.600 1.00 48.20 C ATOM 1619 CE LYS A 778 36.932 1.393 103.129 1.00 52.31 C ATOM 1620 NZ LYS A 778 38.241 0.732 102.866 1.00 60.21 N ATOM 1621 HZ1 LYS A 778 38.584 0.285 103.740 1.00 0.00 H ATOM 1622 HZ2 LYS A 778 38.121 0.008 102.129 1.00 0.00 H ATOM 1623 HZ3 LYS A 778 38.929 1.443 102.546 1.00 0.00 H ATOM 1624 H LYS A 778 34.699 -1.262 107.065 1.00 0.00 H ATOM 1625 N ILE A 779 34.639 2.878 108.353 1.00 32.03 N ATOM 1626 CA ILE A 779 33.691 3.644 109.158 1.00 34.42 C ATOM 1627 C ILE A 779 32.958 4.655 108.282 1.00 28.03 C ATOM 1628 O ILE A 779 33.541 5.216 107.345 1.00 32.85 O ATOM 1629 CB ILE A 779 34.379 4.310 110.362 1.00 40.63 C ATOM 1630 CG1 ILE A 779 35.231 5.483 109.936 1.00 42.32 C ATOM 1631 CG2 ILE A 779 35.207 3.298 111.155 1.00 47.66 C ATOM 1632 CD1 ILE A 779 34.595 6.788 110.310 1.00 51.06 C ATOM 1633 H ILE A 779 35.455 3.327 107.891 1.00 0.00 H ATOM 1634 N PRO A 780 31.698 4.909 108.551 1.00 31.78 N ATOM 1635 CA PRO A 780 30.965 5.927 107.785 1.00 27.98 C ATOM 1636 C PRO A 780 31.216 7.321 108.339 1.00 28.71 C ATOM 1637 O PRO A 780 30.522 7.739 109.267 1.00 29.13 O ATOM 1638 CB PRO A 780 29.505 5.493 107.956 1.00 29.35 C ATOM 1639 CG PRO A 780 29.481 4.800 109.318 1.00 30.16 C ATOM 1640 CD PRO A 780 30.847 4.208 109.531 1.00 31.89 C ATOM 1641 N ILE A 781 32.201 8.041 107.781 1.00 32.09 N ATOM 1642 CA ILE A 781 32.711 9.256 108.418 1.00 34.25 C ATOM 1643 C ILE A 781 31.583 10.242 108.694 1.00 30.36 C ATOM 1644 O ILE A 781 31.470 10.778 109.801 1.00 31.67 O ATOM 1645 CB ILE A 781 33.812 9.906 107.559 1.00 40.22 C ATOM 1646 CG1 ILE A 781 35.095 9.083 107.609 1.00 44.16 C ATOM 1647 CG2 ILE A 781 34.091 11.341 108.039 1.00 39.16 C ATOM 1648 CD1 ILE A 781 36.045 9.483 108.705 1.00 47.73 C ATOM 1649 H ILE A 781 32.611 7.729 106.877 1.00 0.00 H ATOM 1650 N ARG A 782 30.709 10.464 107.707 1.00 31.72 N ATOM 1651 CA ARG A 782 29.652 11.463 107.859 1.00 32.69 C ATOM 1652 C ARG A 782 28.647 11.106 108.945 1.00 30.00 C ATOM 1653 O ARG A 782 27.874 11.980 109.360 1.00 27.77 O ATOM 1654 CB ARG A 782 28.917 11.654 106.523 1.00 30.56 C ATOM 1655 CG ARG A 782 29.812 12.205 105.430 1.00 30.68 C ATOM 1656 CD ARG A 782 29.177 12.069 104.046 1.00 36.14 C ATOM 1657 NE ARG A 782 30.189 12.257 103.012 1.00 38.40 N ATOM 1658 CZ ARG A 782 30.378 13.383 102.328 1.00 42.95 C ATOM 1659 NH1 ARG A 782 31.349 13.456 101.425 1.00 43.18 N ATOM 1660 NH2 ARG A 782 29.587 14.427 102.526 1.00 39.36 N ATOM 1661 HE ARG A 782 30.809 11.451 102.793 1.00 0.00 H ATOM 1662 HH12 ARG A 782 31.497 14.336 100.890 1.00 0.00 H ATOM 1663 HH11 ARG A 782 31.962 12.633 101.252 1.00 0.00 H ATOM 1664 HH22 ARG A 782 29.739 15.304 101.989 1.00 0.00 H ATOM 1665 HH21 ARG A 782 28.814 14.369 103.219 1.00 0.00 H ATOM 1666 H ARG A 782 30.782 9.921 106.823 1.00 0.00 H ATOM 1667 N TRP A 783 28.605 9.836 109.390 1.00 27.09 N ATOM 1668 CA TRP A 783 27.670 9.414 110.422 1.00 25.77 C ATOM 1669 C TRP A 783 28.324 9.187 111.778 1.00 27.00 C ATOM 1670 O TRP A 783 27.618 8.900 112.747 1.00 29.42 O ATOM 1671 CB TRP A 783 26.942 8.116 109.988 1.00 24.88 C ATOM 1672 CG TRP A 783 25.853 8.399 109.027 1.00 24.52 C ATOM 1673 CD1 TRP A 783 24.539 8.606 109.324 1.00 24.95 C ATOM 1674 CD2 TRP A 783 25.981 8.580 107.609 1.00 24.73 C ATOM 1675 NE1 TRP A 783 23.834 8.892 108.179 1.00 27.10 N ATOM 1676 CE2 TRP A 783 24.696 8.891 107.112 1.00 25.09 C ATOM 1677 CE3 TRP A 783 27.051 8.518 106.715 1.00 27.21 C ATOM 1678 CZ2 TRP A 783 24.451 9.125 105.755 1.00 24.76 C ATOM 1679 CZ3 TRP A 783 26.807 8.760 105.366 1.00 27.57 C ATOM 1680 CH2 TRP A 783 25.515 9.054 104.900 1.00 27.62 C ATOM 1681 HE1 TRP A 783 22.812 9.079 108.130 1.00 0.00 H ATOM 1682 H TRP A 783 29.259 9.137 108.985 1.00 0.00 H ATOM 1683 N THR A 784 29.637 9.311 111.882 1.00 29.53 N ATOM 1684 CA THR A 784 30.358 8.822 113.049 1.00 28.83 C ATOM 1685 C THR A 784 30.774 9.962 113.972 1.00 31.12 C ATOM 1686 O THR A 784 31.229 11.019 113.518 1.00 33.00 O ATOM 1687 CB THR A 784 31.575 8.016 112.605 1.00 30.03 C ATOM 1688 OG1 THR A 784 31.134 6.973 111.726 1.00 29.22 O ATOM 1689 CG2 THR A 784 32.289 7.413 113.810 1.00 28.52 C ATOM 1690 HG1 THR A 784 30.688 7.374 110.938 1.00 0.00 H ATOM 1691 H THR A 784 30.167 9.768 111.113 1.00 0.00 H ATOM 1692 N ALA A 785 30.599 9.738 115.271 1.00 33.98 N ATOM 1693 CA ALA A 785 30.961 10.725 116.278 1.00 31.24 C ATOM 1694 C ALA A 785 32.467 10.996 116.251 1.00 33.10 C ATOM 1695 O ALA A 785 33.264 10.125 115.870 1.00 32.66 O ATOM 1696 CB ALA A 785 30.545 10.238 117.669 1.00 31.39 C ATOM 1697 H ALA A 785 30.192 8.831 115.576 1.00 0.00 H ATOM 1698 N PRO A 786 32.887 12.194 116.666 1.00 35.57 N ATOM 1699 CA PRO A 786 34.313 12.549 116.546 1.00 34.72 C ATOM 1700 C PRO A 786 35.231 11.660 117.368 1.00 36.96 C ATOM 1701 O PRO A 786 36.311 11.285 116.888 1.00 38.73 O ATOM 1702 CB PRO A 786 34.347 14.009 117.023 1.00 35.97 C ATOM 1703 CG PRO A 786 32.974 14.533 116.753 1.00 36.22 C ATOM 1704 CD PRO A 786 32.056 13.349 117.057 1.00 34.52 C ATOM 1705 N GLU A 787 34.823 11.279 118.583 1.00 37.33 N ATOM 1706 CA GLU A 787 35.679 10.423 119.395 1.00 33.49 C ATOM 1707 C GLU A 787 35.784 9.022 118.816 1.00 44.13 C ATOM 1708 O GLU A 787 36.769 8.322 119.081 1.00 42.79 O ATOM 1709 CB GLU A 787 35.172 10.360 120.841 1.00 34.24 C ATOM 1710 CG GLU A 787 33.950 9.460 121.058 1.00 43.47 C ATOM 1711 CD GLU A 787 32.623 10.185 120.879 1.00 36.20 C ATOM 1712 OE1 GLU A 787 32.618 11.314 120.352 1.00 36.92 O ATOM 1713 OE2 GLU A 787 31.575 9.603 121.249 1.00 44.41 O ATOM 1714 H GLU A 787 33.900 11.592 118.947 1.00 0.00 H ATOM 1715 N ALA A 788 34.798 8.597 118.027 1.00 38.98 N ATOM 1716 CA ALA A 788 34.893 7.301 117.374 1.00 34.49 C ATOM 1717 C ALA A 788 35.748 7.371 116.115 1.00 38.35 C ATOM 1718 O ALA A 788 36.463 6.418 115.803 1.00 38.45 O ATOM 1719 CB ALA A 788 33.491 6.773 117.055 1.00 36.57 C ATOM 1720 H ALA A 788 33.959 9.193 117.878 1.00 0.00 H ATOM 1721 N ILE A 789 35.712 8.487 115.389 1.00 39.19 N ATOM 1722 CA ILE A 789 36.626 8.656 114.264 1.00 39.64 C ATOM 1723 C ILE A 789 38.068 8.683 114.757 1.00 49.52 C ATOM 1724 O ILE A 789 38.951 8.015 114.204 1.00 43.96 O ATOM 1725 CB ILE A 789 36.283 9.936 113.482 1.00 37.16 C ATOM 1726 CG1 ILE A 789 34.863 9.847 112.910 1.00 40.26 C ATOM 1727 CG2 ILE A 789 37.307 10.176 112.385 1.00 41.61 C ATOM 1728 CD1 ILE A 789 34.412 11.092 112.180 1.00 39.92 C ATOM 1729 H ILE A 789 35.032 9.238 115.624 1.00 0.00 H ATOM 1730 N SER A 790 38.322 9.452 115.816 1.00 43.26 N ATOM 1731 CA SER A 790 39.693 9.707 116.250 1.00 51.34 C ATOM 1732 C SER A 790 40.267 8.533 117.032 1.00 56.02 C ATOM 1733 O SER A 790 41.372 8.064 116.735 1.00 58.12 O ATOM 1734 CB SER A 790 39.752 10.986 117.090 1.00 44.27 C ATOM 1735 OG SER A 790 39.434 12.121 116.306 1.00 49.75 O ATOM 1736 HG SER A 790 38.519 12.022 115.940 1.00 0.00 H ATOM 1737 H SER A 790 37.531 9.877 116.341 1.00 0.00 H ATOM 1738 N TYR A 791 39.529 8.040 118.029 1.00 54.22 N ATOM 1739 CA TYR A 791 40.053 7.068 118.983 1.00 48.94 C ATOM 1740 C TYR A 791 39.380 5.707 118.884 1.00 52.70 C ATOM 1741 O TYR A 791 39.646 4.843 119.725 1.00 49.85 O ATOM 1742 CB TYR A 791 39.913 7.609 120.408 1.00 53.01 C ATOM 1743 CG TYR A 791 40.443 9.016 120.563 1.00 64.19 C ATOM 1744 CD1 TYR A 791 41.775 9.309 120.298 1.00 66.73 C ATOM 1745 CD2 TYR A 791 39.616 10.051 120.973 1.00 61.93 C ATOM 1746 CE1 TYR A 791 42.266 10.588 120.437 1.00 61.79 C ATOM 1747 CE2 TYR A 791 40.103 11.338 121.117 1.00 63.62 C ATOM 1748 CZ TYR A 791 41.429 11.597 120.845 1.00 64.52 C ATOM 1749 OH TYR A 791 41.923 12.873 120.982 1.00 75.71 O ATOM 1750 HH TYR A 791 42.885 12.880 120.748 1.00 0.00 H ATOM 1751 H TYR A 791 38.545 8.360 118.130 1.00 0.00 H ATOM 1752 N ARG A 792 38.522 5.498 117.879 1.00 47.44 N ATOM 1753 CA ARG A 792 37.718 4.279 117.752 1.00 45.31 C ATOM 1754 C ARG A 792 37.008 3.934 119.061 1.00 43.65 C ATOM 1755 O ARG A 792 36.824 2.765 119.410 1.00 43.24 O ATOM 1756 CB ARG A 792 38.561 3.101 117.254 1.00 52.03 C ATOM 1757 CG ARG A 792 39.099 3.302 115.840 1.00 62.98 C ATOM 1758 CD ARG A 792 39.738 2.041 115.267 1.00 66.97 C ATOM 1759 NE ARG A 792 38.982 1.511 114.133 1.00 75.06 N ATOM 1760 CZ ARG A 792 38.075 0.542 114.220 1.00 71.24 C ATOM 1761 NH1 ARG A 792 37.809 -0.025 115.390 1.00 73.58 N ATOM 1762 NH2 ARG A 792 37.437 0.131 113.132 1.00 71.56 N ATOM 1763 HE ARG A 792 39.166 1.920 113.195 1.00 0.00 H ATOM 1764 HH12 ARG A 792 37.099 -0.782 115.451 1.00 0.00 H ATOM 1765 HH11 ARG A 792 38.311 0.288 116.246 1.00 0.00 H ATOM 1766 HH22 ARG A 792 36.728 -0.627 113.200 1.00 0.00 H ATOM 1767 HH21 ARG A 792 37.646 0.566 112.211 1.00 0.00 H ATOM 1768 H ARG A 792 38.421 6.236 117.153 1.00 0.00 H ATOM 1769 N LYS A 793 36.592 4.968 119.788 1.00 36.39 N ATOM 1770 CA LYS A 793 35.765 4.806 120.985 1.00 42.25 C ATOM 1771 C LYS A 793 34.302 4.754 120.559 1.00 41.52 C ATOM 1772 O LYS A 793 33.600 5.770 120.542 1.00 38.62 O ATOM 1773 CB LYS A 793 36.013 5.943 121.969 1.00 41.84 C ATOM 1774 CG LYS A 793 37.269 5.776 122.826 1.00 49.17 C ATOM 1775 CD LYS A 793 37.539 7.033 123.646 1.00 58.34 C ATOM 1776 CE LYS A 793 38.594 6.801 124.724 1.00 72.27 C ATOM 1777 NZ LYS A 793 38.151 5.820 125.764 1.00 75.88 N ATOM 1778 HZ1 LYS A 793 37.291 6.175 126.230 1.00 0.00 H ATOM 1779 HZ2 LYS A 793 37.950 4.905 125.312 1.00 0.00 H ATOM 1780 HZ3 LYS A 793 38.905 5.701 126.470 1.00 0.00 H ATOM 1781 H LYS A 793 36.865 5.928 119.495 1.00 0.00 H ATOM 1782 N PHE A 794 33.837 3.553 120.223 1.00 39.19 N ATOM 1783 CA PHE A 794 32.448 3.316 119.834 1.00 39.38 C ATOM 1784 C PHE A 794 31.626 2.932 121.060 1.00 38.77 C ATOM 1785 O PHE A 794 31.943 1.954 121.744 1.00 40.31 O ATOM 1786 CB PHE A 794 32.357 2.209 118.787 1.00 39.55 C ATOM 1787 CG PHE A 794 32.914 2.593 117.443 1.00 48.19 C ATOM 1788 CD1 PHE A 794 32.123 3.247 116.503 1.00 38.57 C ATOM 1789 CD2 PHE A 794 34.230 2.302 117.120 1.00 48.37 C ATOM 1790 CE1 PHE A 794 32.637 3.582 115.267 1.00 32.42 C ATOM 1791 CE2 PHE A 794 34.748 2.651 115.886 1.00 47.52 C ATOM 1792 CZ PHE A 794 33.950 3.290 114.961 1.00 40.21 C ATOM 1793 H PHE A 794 34.492 2.746 120.238 1.00 0.00 H ATOM 1794 N THR A 795 30.572 3.701 121.330 1.00 39.95 N ATOM 1795 CA THR A 795 29.655 3.463 122.436 1.00 36.92 C ATOM 1796 C THR A 795 28.243 3.785 121.969 1.00 37.05 C ATOM 1797 O THR A 795 28.046 4.344 120.884 1.00 37.05 O ATOM 1798 CB THR A 795 29.988 4.347 123.643 1.00 37.30 C ATOM 1799 OG1 THR A 795 29.695 5.705 123.306 1.00 36.53 O ATOM 1800 CG2 THR A 795 31.470 4.227 124.022 1.00 43.24 C ATOM 1801 HG1 THR A 795 30.243 5.976 122.527 1.00 0.00 H ATOM 1802 H THR A 795 30.394 4.520 120.714 1.00 0.00 H ATOM 1803 N SER A 796 27.259 3.505 122.831 1.00 36.33 N ATOM 1804 CA SER A 796 25.896 3.946 122.540 1.00 37.36 C ATOM 1805 C SER A 796 25.836 5.455 122.364 1.00 37.15 C ATOM 1806 O SER A 796 25.023 5.958 121.581 1.00 31.88 O ATOM 1807 CB SER A 796 24.934 3.482 123.637 1.00 36.81 C ATOM 1808 OG SER A 796 24.759 2.065 123.576 1.00 33.68 O ATOM 1809 HG SER A 796 24.387 1.817 122.693 1.00 0.00 H ATOM 1810 H SER A 796 27.463 2.977 123.703 1.00 0.00 H ATOM 1811 N ALA A 797 26.707 6.197 123.055 1.00 39.35 N ATOM 1812 CA ALA A 797 26.707 7.645 122.881 1.00 32.61 C ATOM 1813 C ALA A 797 27.234 8.049 121.509 1.00 28.07 C ATOM 1814 O ALA A 797 26.807 9.072 120.967 1.00 34.98 O ATOM 1815 CB ALA A 797 27.523 8.321 123.980 1.00 41.16 C ATOM 1816 H ALA A 797 27.378 5.746 123.710 1.00 0.00 H ATOM 1817 N SER A 798 28.173 7.287 120.932 1.00 31.02 N ATOM 1818 CA SER A 798 28.524 7.592 119.551 1.00 33.04 C ATOM 1819 C SER A 798 27.396 7.184 118.600 1.00 32.83 C ATOM 1820 O SER A 798 27.178 7.852 117.581 1.00 29.53 O ATOM 1821 CB SER A 798 29.870 6.952 119.169 1.00 33.75 C ATOM 1822 OG SER A 798 29.882 5.528 119.273 1.00 34.47 O ATOM 1823 HG SER A 798 29.194 5.148 118.670 1.00 0.00 H ATOM 1824 H SER A 798 28.632 6.510 121.448 1.00 0.00 H ATOM 1825 N ASP A 799 26.657 6.113 118.920 1.00 30.83 N ATOM 1826 CA ASP A 799 25.438 5.821 118.162 1.00 32.58 C ATOM 1827 C ASP A 799 24.439 6.976 118.252 1.00 29.09 C ATOM 1828 O ASP A 799 23.732 7.271 117.283 1.00 27.53 O ATOM 1829 CB ASP A 799 24.787 4.522 118.655 1.00 29.20 C ATOM 1830 CG ASP A 799 25.450 3.266 118.083 1.00 28.39 C ATOM 1831 OD1 ASP A 799 26.264 3.363 117.130 1.00 28.91 O ATOM 1832 OD2 ASP A 799 25.152 2.165 118.603 1.00 30.73 O ATOM 1833 H ASP A 799 26.947 5.492 119.702 1.00 0.00 H ATOM 1834 N VAL A 800 24.365 7.650 119.405 1.00 29.86 N ATOM 1835 CA VAL A 800 23.429 8.771 119.532 1.00 27.66 C ATOM 1836 C VAL A 800 23.816 9.918 118.601 1.00 32.74 C ATOM 1837 O VAL A 800 22.946 10.592 118.031 1.00 26.18 O ATOM 1838 CB VAL A 800 23.330 9.249 120.993 1.00 29.91 C ATOM 1839 CG1 VAL A 800 22.653 10.628 121.044 1.00 29.44 C ATOM 1840 CG2 VAL A 800 22.563 8.238 121.841 1.00 30.86 C ATOM 1841 H VAL A 800 24.969 7.380 120.208 1.00 0.00 H ATOM 1842 N TRP A 801 25.116 10.190 118.460 1.00 29.26 N ATOM 1843 CA TRP A 801 25.549 11.125 117.427 1.00 32.96 C ATOM 1844 C TRP A 801 25.016 10.690 116.067 1.00 28.18 C ATOM 1845 O TRP A 801 24.452 11.496 115.320 1.00 27.16 O ATOM 1846 CB TRP A 801 27.078 11.224 117.396 1.00 31.53 C ATOM 1847 CG TRP A 801 27.622 12.121 116.308 1.00 29.44 C ATOM 1848 CD1 TRP A 801 27.616 11.885 114.959 1.00 34.15 C ATOM 1849 CD2 TRP A 801 28.267 13.390 116.488 1.00 31.79 C ATOM 1850 NE1 TRP A 801 28.195 12.939 114.291 1.00 32.99 N ATOM 1851 CE2 TRP A 801 28.608 13.871 115.208 1.00 32.41 C ATOM 1852 CE3 TRP A 801 28.579 14.169 117.609 1.00 36.41 C ATOM 1853 CZ2 TRP A 801 29.258 15.101 115.013 1.00 34.47 C ATOM 1854 CZ3 TRP A 801 29.227 15.385 117.413 1.00 33.77 C ATOM 1855 CH2 TRP A 801 29.559 15.833 116.128 1.00 31.90 C ATOM 1856 HE1 TRP A 801 28.302 13.016 113.259 1.00 0.00 H ATOM 1857 H TRP A 801 25.816 9.738 119.083 1.00 0.00 H ATOM 1858 N SER A 802 25.211 9.412 115.724 1.00 28.88 N ATOM 1859 CA SER A 802 24.717 8.910 114.445 1.00 26.70 C ATOM 1860 C SER A 802 23.211 9.109 114.329 1.00 23.94 C ATOM 1861 O SER A 802 22.703 9.451 113.254 1.00 25.54 O ATOM 1862 CB SER A 802 25.073 7.424 114.287 1.00 25.11 C ATOM 1863 OG SER A 802 26.467 7.203 114.433 1.00 26.73 O ATOM 1864 HG SER A 802 26.956 7.717 113.742 1.00 0.00 H ATOM 1865 H SER A 802 25.716 8.773 116.371 1.00 0.00 H ATOM 1866 N PHE A 803 22.482 8.918 115.433 1.00 26.83 N ATOM 1867 CA PHE A 803 21.038 9.127 115.404 1.00 29.30 C ATOM 1868 C PHE A 803 20.698 10.561 115.025 1.00 27.99 C ATOM 1869 O PHE A 803 19.731 10.808 114.297 1.00 26.94 O ATOM 1870 CB PHE A 803 20.408 8.797 116.751 1.00 24.81 C ATOM 1871 CG PHE A 803 18.913 8.933 116.746 1.00 32.10 C ATOM 1872 CD1 PHE A 803 18.115 7.936 116.185 1.00 27.97 C ATOM 1873 CD2 PHE A 803 18.298 10.060 117.279 1.00 31.66 C ATOM 1874 CE1 PHE A 803 16.726 8.081 116.148 1.00 28.96 C ATOM 1875 CE2 PHE A 803 16.912 10.201 117.260 1.00 32.13 C ATOM 1876 CZ PHE A 803 16.127 9.222 116.699 1.00 29.34 C ATOM 1877 H PHE A 803 22.945 8.620 116.315 1.00 0.00 H ATOM 1878 N GLY A 804 21.473 11.523 115.519 1.00 30.46 N ATOM 1879 CA GLY A 804 21.201 12.901 115.147 1.00 27.00 C ATOM 1880 C GLY A 804 21.342 13.109 113.654 1.00 23.64 C ATOM 1881 O GLY A 804 20.545 13.826 113.034 1.00 25.83 O ATOM 1882 H GLY A 804 22.259 11.293 116.160 1.00 0.00 H ATOM 1883 N ILE A 805 22.330 12.443 113.048 1.00 25.20 N ATOM 1884 CA ILE A 805 22.495 12.517 111.601 1.00 23.10 C ATOM 1885 C ILE A 805 21.288 11.903 110.909 1.00 24.67 C ATOM 1886 O ILE A 805 20.770 12.460 109.937 1.00 24.41 O ATOM 1887 CB ILE A 805 23.813 11.844 111.172 1.00 25.46 C ATOM 1888 CG1 ILE A 805 25.019 12.449 111.906 1.00 26.72 C ATOM 1889 CG2 ILE A 805 24.023 11.986 109.669 1.00 23.29 C ATOM 1890 CD1 ILE A 805 25.298 13.945 111.503 1.00 24.84 C ATOM 1891 H ILE A 805 22.986 11.867 113.613 1.00 0.00 H ATOM 1892 N VAL A 806 20.819 10.746 111.401 1.00 24.18 N ATOM 1893 CA VAL A 806 19.604 10.136 110.862 1.00 24.18 C ATOM 1894 C VAL A 806 18.415 11.090 110.973 1.00 25.93 C ATOM 1895 O VAL A 806 17.596 11.193 110.050 1.00 24.30 O ATOM 1896 CB VAL A 806 19.324 8.799 111.570 1.00 24.45 C ATOM 1897 CG1 VAL A 806 17.963 8.248 111.133 1.00 24.79 C ATOM 1898 CG2 VAL A 806 20.444 7.796 111.249 1.00 24.58 C ATOM 1899 H VAL A 806 21.327 10.276 112.177 1.00 0.00 H ATOM 1900 N MET A 807 18.277 11.775 112.113 1.00 25.07 N ATOM 1901 CA MET A 807 17.207 12.766 112.253 1.00 27.84 C ATOM 1902 C MET A 807 17.260 13.794 111.126 1.00 27.77 C ATOM 1903 O MET A 807 16.218 14.200 110.591 1.00 26.37 O ATOM 1904 CB MET A 807 17.317 13.491 113.600 1.00 27.06 C ATOM 1905 CG MET A 807 17.032 12.634 114.829 1.00 31.53 C ATOM 1906 SD MET A 807 17.199 13.638 116.341 1.00 33.87 S ATOM 1907 CE MET A 807 15.732 14.652 116.255 1.00 31.88 C ATOM 1908 H MET A 807 18.931 11.604 112.903 1.00 0.00 H ATOM 1909 N TRP A 808 18.470 14.227 110.764 1.00 28.56 N ATOM 1910 CA TRP A 808 18.633 15.212 109.700 1.00 25.08 C ATOM 1911 C TRP A 808 18.328 14.602 108.341 1.00 25.52 C ATOM 1912 O TRP A 808 17.644 15.219 107.520 1.00 26.38 O ATOM 1913 CB TRP A 808 20.053 15.778 109.751 1.00 27.69 C ATOM 1914 CG TRP A 808 20.272 16.965 108.877 1.00 29.21 C ATOM 1915 CD1 TRP A 808 20.099 18.287 109.217 1.00 31.61 C ATOM 1916 CD2 TRP A 808 20.722 16.955 107.524 1.00 26.10 C ATOM 1917 NE1 TRP A 808 20.402 19.094 108.146 1.00 29.44 N ATOM 1918 CE2 TRP A 808 20.807 18.308 107.100 1.00 27.76 C ATOM 1919 CE3 TRP A 808 21.080 15.949 106.630 1.00 25.46 C ATOM 1920 CZ2 TRP A 808 21.207 18.659 105.817 1.00 29.09 C ATOM 1921 CZ3 TRP A 808 21.484 16.306 105.352 1.00 31.83 C ATOM 1922 CH2 TRP A 808 21.551 17.655 104.963 1.00 32.40 C ATOM 1923 HE1 TRP A 808 20.335 20.132 108.132 1.00 0.00 H ATOM 1924 H TRP A 808 19.312 13.855 111.249 1.00 0.00 H ATOM 1925 N GLU A 809 18.773 13.358 108.101 1.00 25.39 N ATOM 1926 CA GLU A 809 18.366 12.676 106.877 1.00 22.73 C ATOM 1927 C GLU A 809 16.858 12.610 106.758 1.00 24.46 C ATOM 1928 O GLU A 809 16.303 12.787 105.666 1.00 26.47 O ATOM 1929 CB GLU A 809 18.926 11.255 106.829 1.00 26.74 C ATOM 1930 CG GLU A 809 20.431 11.178 106.808 1.00 26.41 C ATOM 1931 CD GLU A 809 20.877 9.741 106.703 1.00 30.47 C ATOM 1932 OE1 GLU A 809 21.028 9.268 105.559 1.00 27.85 O ATOM 1933 OE2 GLU A 809 21.025 9.073 107.762 1.00 28.44 O ATOM 1934 H GLU A 809 19.402 12.885 108.781 1.00 0.00 H ATOM 1935 N VAL A 810 16.179 12.307 107.863 1.00 23.30 N ATOM 1936 CA VAL A 810 14.734 12.167 107.811 1.00 22.84 C ATOM 1937 C VAL A 810 14.081 13.519 107.540 1.00 25.78 C ATOM 1938 O VAL A 810 13.217 13.638 106.665 1.00 26.80 O ATOM 1939 CB VAL A 810 14.202 11.537 109.107 1.00 22.72 C ATOM 1940 CG1 VAL A 810 12.689 11.693 109.184 1.00 28.84 C ATOM 1941 CG2 VAL A 810 14.590 10.045 109.161 1.00 21.93 C ATOM 1942 H VAL A 810 16.683 12.171 108.762 1.00 0.00 H ATOM 1943 N MET A 811 14.483 14.551 108.281 1.00 24.01 N ATOM 1944 CA MET A 811 13.804 15.842 108.133 1.00 25.45 C ATOM 1945 C MET A 811 14.131 16.530 106.812 1.00 35.21 C ATOM 1946 O MET A 811 13.423 17.472 106.434 1.00 33.23 O ATOM 1947 CB MET A 811 14.142 16.780 109.301 1.00 26.70 C ATOM 1948 CG MET A 811 13.734 16.262 110.697 1.00 29.48 C ATOM 1949 SD MET A 811 12.026 15.652 110.778 1.00 35.19 S ATOM 1950 CE MET A 811 11.129 17.177 110.535 1.00 36.14 C ATOM 1951 H MET A 811 15.268 14.442 108.955 1.00 0.00 H ATOM 1952 N THR A 812 15.175 16.094 106.104 1.00 28.88 N ATOM 1953 CA THR A 812 15.507 16.573 104.761 1.00 29.18 C ATOM 1954 C THR A 812 14.996 15.653 103.660 1.00 29.48 C ATOM 1955 O THR A 812 15.369 15.830 102.493 1.00 31.44 O ATOM 1956 CB THR A 812 17.026 16.727 104.584 1.00 35.57 C ATOM 1957 OG1 THR A 812 17.669 15.448 104.721 1.00 30.26 O ATOM 1958 CG2 THR A 812 17.620 17.717 105.579 1.00 29.54 C ATOM 1959 HG1 THR A 812 17.481 15.080 105.621 1.00 0.00 H ATOM 1960 H THR A 812 15.789 15.371 106.532 1.00 0.00 H ATOM 1961 N TYR A 813 14.187 14.651 103.999 1.00 27.57 N ATOM 1962 CA TYR A 813 13.733 13.659 103.022 1.00 34.06 C ATOM 1963 C TYR A 813 14.901 13.017 102.272 1.00 37.65 C ATOM 1964 O TYR A 813 14.855 12.805 101.056 1.00 32.90 O ATOM 1965 CB TYR A 813 12.724 14.266 102.047 1.00 34.80 C ATOM 1966 CG TYR A 813 11.366 14.474 102.667 1.00 35.01 C ATOM 1967 CD1 TYR A 813 10.418 13.459 102.656 1.00 39.54 C ATOM 1968 CD2 TYR A 813 11.030 15.690 103.263 1.00 39.63 C ATOM 1969 CE1 TYR A 813 9.171 13.645 103.216 1.00 36.88 C ATOM 1970 CE2 TYR A 813 9.779 15.887 103.829 1.00 36.54 C ATOM 1971 CZ TYR A 813 8.857 14.864 103.796 1.00 39.40 C ATOM 1972 OH TYR A 813 7.615 15.042 104.354 1.00 43.72 O ATOM 1973 HH TYR A 813 7.714 15.246 105.318 1.00 0.00 H ATOM 1974 H TYR A 813 13.869 14.571 104.986 1.00 0.00 H ATOM 1975 N GLY A 814 15.962 12.692 103.006 1.00 34.09 N ATOM 1976 CA GLY A 814 17.022 11.880 102.446 1.00 28.83 C ATOM 1977 C GLY A 814 18.145 12.631 101.780 1.00 31.03 C ATOM 1978 O GLY A 814 18.773 12.095 100.861 1.00 30.87 O ATOM 1979 H GLY A 814 16.031 13.024 103.989 1.00 0.00 H ATOM 1980 N GLU A 815 18.421 13.858 102.203 1.00 32.27 N ATOM 1981 CA GLU A 815 19.608 14.531 101.695 1.00 35.23 C ATOM 1982 C GLU A 815 20.861 13.826 102.209 1.00 38.16 C ATOM 1983 O GLU A 815 20.875 13.233 103.296 1.00 29.03 O ATOM 1984 CB GLU A 815 19.617 16.006 102.108 1.00 32.10 C ATOM 1985 CG GLU A 815 20.831 16.802 101.607 1.00 45.44 C ATOM 1986 CD GLU A 815 20.940 16.832 100.087 1.00 49.66 C ATOM 1987 OE1 GLU A 815 20.463 17.819 99.480 1.00 57.43 O ATOM 1988 OE2 GLU A 815 21.502 15.874 99.498 1.00 53.47 O ATOM 1989 H GLU A 815 17.798 14.332 102.888 1.00 0.00 H ATOM 1990 N ARG A 816 21.909 13.882 101.411 1.00 32.65 N ATOM 1991 CA ARG A 816 23.205 13.372 101.837 1.00 34.38 C ATOM 1992 C ARG A 816 23.798 14.331 102.859 1.00 32.00 C ATOM 1993 O ARG A 816 23.933 15.527 102.559 1.00 31.85 O ATOM 1994 CB ARG A 816 24.118 13.226 100.625 1.00 35.43 C ATOM 1995 CG ARG A 816 25.464 12.572 100.884 1.00 36.25 C ATOM 1996 CD ARG A 816 26.429 12.920 99.757 1.00 36.22 C ATOM 1997 NE ARG A 816 27.682 12.182 99.836 1.00 41.18 N ATOM 1998 CZ ARG A 816 28.789 12.530 99.189 1.00 39.88 C ATOM 1999 NH1 ARG A 816 28.802 13.617 98.429 1.00 44.62 N ATOM 2000 NH2 ARG A 816 29.884 11.797 99.309 1.00 37.14 N ATOM 2001 HE ARG A 816 27.712 11.332 100.434 1.00 0.00 H ATOM 2002 HH12 ARG A 816 29.670 13.888 97.923 1.00 0.00 H ATOM 2003 HH11 ARG A 816 27.945 14.199 98.339 1.00 0.00 H ATOM 2004 HH22 ARG A 816 30.750 12.070 98.802 1.00 0.00 H ATOM 2005 HH21 ARG A 816 29.878 10.948 99.910 1.00 0.00 H ATOM 2006 H ARG A 816 21.809 14.297 100.463 1.00 0.00 H ATOM 2007 N PRO A 817 24.127 13.884 104.073 1.00 28.20 N ATOM 2008 CA PRO A 817 24.770 14.787 105.044 1.00 27.04 C ATOM 2009 C PRO A 817 26.051 15.399 104.483 1.00 35.92 C ATOM 2010 O PRO A 817 26.882 14.704 103.898 1.00 30.48 O ATOM 2011 CB PRO A 817 25.063 13.869 106.245 1.00 29.05 C ATOM 2012 CG PRO A 817 24.063 12.747 106.119 1.00 29.92 C ATOM 2013 CD PRO A 817 23.846 12.544 104.637 1.00 32.65 C ATOM 2014 N TYR A 818 26.190 16.723 104.638 1.00 32.62 N ATOM 2015 CA TYR A 818 27.409 17.435 104.233 1.00 35.28 C ATOM 2016 C TYR A 818 27.719 17.258 102.743 1.00 37.14 C ATOM 2017 O TYR A 818 28.884 17.199 102.345 1.00 47.02 O ATOM 2018 CB TYR A 818 28.627 16.988 105.067 1.00 31.92 C ATOM 2019 CG TYR A 818 28.414 16.826 106.562 1.00 35.78 C ATOM 2020 CD1 TYR A 818 28.489 17.916 107.423 1.00 31.38 C ATOM 2021 CD2 TYR A 818 28.191 15.565 107.120 1.00 29.55 C ATOM 2022 CE1 TYR A 818 28.315 17.771 108.799 1.00 27.81 C ATOM 2023 CE2 TYR A 818 28.010 15.407 108.474 1.00 27.99 C ATOM 2024 CZ TYR A 818 28.067 16.495 109.314 1.00 31.23 C ATOM 2025 OH TYR A 818 27.881 16.316 110.665 1.00 30.82 O ATOM 2026 HH TYR A 818 28.574 15.701 111.014 1.00 0.00 H ATOM 2027 H TYR A 818 25.408 17.264 105.059 1.00 0.00 H ATOM 2028 N TRP A 819 26.679 17.171 101.904 1.00 38.57 N ATOM 2029 CA TRP A 819 26.872 16.600 100.566 1.00 46.39 C ATOM 2030 C TRP A 819 27.891 17.376 99.742 1.00 55.91 C ATOM 2031 O TRP A 819 28.539 16.809 98.855 1.00 50.28 O ATOM 2032 CB TRP A 819 25.547 16.544 99.810 1.00 49.17 C ATOM 2033 CG TRP A 819 24.962 17.893 99.493 1.00 60.14 C ATOM 2034 CD1 TRP A 819 24.048 18.585 100.237 1.00 57.62 C ATOM 2035 CD2 TRP A 819 25.249 18.711 98.347 1.00 62.30 C ATOM 2036 NE1 TRP A 819 23.750 19.777 99.625 1.00 68.26 N ATOM 2037 CE2 TRP A 819 24.472 19.879 98.465 1.00 65.32 C ATOM 2038 CE3 TRP A 819 26.086 18.567 97.233 1.00 63.43 C ATOM 2039 CZ2 TRP A 819 24.511 20.902 97.515 1.00 70.57 C ATOM 2040 CZ3 TRP A 819 26.123 19.581 96.291 1.00 66.72 C ATOM 2041 CH2 TRP A 819 25.340 20.732 96.438 1.00 69.42 C ATOM 2042 HE1 TRP A 819 23.083 20.489 99.984 1.00 0.00 H ATOM 2043 H TRP A 819 25.740 17.506 102.199 1.00 0.00 H ATOM 2044 N GLU A 820 28.038 18.641 100.030 1.00 56.33 N ATOM 2045 CA GLU A 820 28.953 19.455 99.285 1.00 58.02 C ATOM 2046 C GLU A 820 30.385 19.376 99.749 1.00 57.47 C ATOM 2047 O GLU A 820 31.214 20.095 99.240 1.00 65.22 O ATOM 2048 CB GLU A 820 28.469 20.902 99.372 1.00 64.27 C ATOM 2049 CG GLU A 820 28.304 21.461 100.781 1.00 67.13 C ATOM 2050 CD GLU A 820 27.153 20.865 101.613 1.00 74.18 C ATOM 2051 OE1 GLU A 820 27.004 21.251 102.788 1.00 67.74 O ATOM 2052 OE2 GLU A 820 26.392 20.027 101.132 1.00 76.15 O ATOM 2053 H GLU A 820 27.487 19.061 100.806 1.00 0.00 H ATOM 2054 N LEU A 821 30.673 18.498 100.694 1.00 48.34 N ATOM 2055 CA LEU A 821 31.970 18.396 101.344 1.00 42.12 C ATOM 2056 C LEU A 821 32.594 17.022 101.120 1.00 53.63 C ATOM 2057 O LEU A 821 31.915 15.993 101.217 1.00 47.38 O ATOM 2058 CB LEU A 821 31.840 18.641 102.845 1.00 37.94 C ATOM 2059 CG LEU A 821 32.022 20.046 103.421 1.00 51.62 C ATOM 2060 CD1 LEU A 821 31.418 21.103 102.526 1.00 55.74 C ATOM 2061 CD2 LEU A 821 31.400 20.107 104.797 1.00 38.39 C ATOM 2062 H LEU A 821 29.925 17.839 100.991 1.00 0.00 H ATOM 2063 N SER A 822 33.899 17.014 100.852 1.00 49.35 N ATOM 2064 CA SER A 822 34.678 15.788 100.897 1.00 42.05 C ATOM 2065 C SER A 822 34.743 15.264 102.326 1.00 43.97 C ATOM 2066 O SER A 822 34.453 15.974 103.292 1.00 50.72 O ATOM 2067 CB SER A 822 36.099 16.033 100.395 1.00 51.40 C ATOM 2068 OG SER A 822 36.877 16.604 101.440 1.00 46.21 O ATOM 2069 HG SER A 822 37.798 16.763 101.115 1.00 0.00 H ATOM 2070 H SER A 822 34.372 17.907 100.605 1.00 0.00 H ATOM 2071 N ASN A 823 35.171 14.007 102.461 1.00 46.45 N ATOM 2072 CA ASN A 823 35.256 13.401 103.784 1.00 44.10 C ATOM 2073 C ASN A 823 36.197 14.176 104.705 1.00 42.37 C ATOM 2074 O ASN A 823 35.890 14.373 105.887 1.00 47.89 O ATOM 2075 CB ASN A 823 35.675 11.933 103.664 1.00 46.82 C ATOM 2076 CG ASN A 823 34.521 11.036 103.226 1.00 48.28 C ATOM 2077 OD1 ASN A 823 33.359 11.401 103.379 1.00 47.30 O ATOM 2078 ND2 ASN A 823 34.837 9.867 102.676 1.00 37.94 N ATOM 2079 HD22 ASN A 823 35.835 9.597 102.565 1.00 0.00 H ATOM 2080 HD21 ASN A 823 34.086 9.223 102.357 1.00 0.00 H ATOM 2081 H ASN A 823 35.444 13.459 101.621 1.00 0.00 H ATOM 2082 N HIS A 824 37.349 14.611 104.185 1.00 47.73 N ATOM 2083 CA HIS A 824 38.231 15.475 104.966 1.00 46.90 C ATOM 2084 C HIS A 824 37.583 16.836 105.216 1.00 44.94 C ATOM 2085 O HIS A 824 37.699 17.395 106.314 1.00 43.61 O ATOM 2086 CB HIS A 824 39.578 15.632 104.255 1.00 49.08 C ATOM 2087 CG HIS A 824 40.484 14.442 104.387 1.00 50.73 C ATOM 2088 ND1 HIS A 824 41.846 14.519 104.185 1.00 51.84 N ATOM 2089 CD2 HIS A 824 40.224 13.150 104.696 1.00 51.99 C ATOM 2090 CE1 HIS A 824 42.386 13.328 104.370 1.00 52.99 C ATOM 2091 NE2 HIS A 824 41.423 12.478 104.679 1.00 54.71 N ATOM 2092 H HIS A 824 37.619 14.333 103.220 1.00 0.00 H ATOM 2093 N GLU A 825 36.884 17.374 104.212 1.00 47.69 N ATOM 2094 CA GLU A 825 36.153 18.626 104.389 1.00 46.99 C ATOM 2095 C GLU A 825 35.115 18.502 105.494 1.00 48.95 C ATOM 2096 O GLU A 825 34.888 19.452 106.251 1.00 40.86 O ATOM 2097 CB GLU A 825 35.490 19.049 103.075 1.00 45.93 C ATOM 2098 CG GLU A 825 36.459 19.664 102.090 1.00 44.17 C ATOM 2099 CD GLU A 825 35.827 20.052 100.773 1.00 48.26 C ATOM 2100 OE1 GLU A 825 34.814 19.450 100.375 1.00 53.29 O ATOM 2101 OE2 GLU A 825 36.358 20.977 100.124 1.00 59.71 O ATOM 2102 H GLU A 825 36.860 16.894 103.290 1.00 0.00 H ATOM 2103 N VAL A 826 34.488 17.328 105.620 1.00 42.90 N ATOM 2104 CA VAL A 826 33.506 17.134 106.683 1.00 40.50 C ATOM 2105 C VAL A 826 34.181 17.168 108.047 1.00 38.18 C ATOM 2106 O VAL A 826 33.702 17.820 108.981 1.00 38.95 O ATOM 2107 CB VAL A 826 32.734 15.815 106.481 1.00 38.87 C ATOM 2108 CG1 VAL A 826 31.797 15.581 107.651 1.00 39.19 C ATOM 2109 CG2 VAL A 826 31.966 15.837 105.183 1.00 33.14 C ATOM 2110 H VAL A 826 34.700 16.552 104.960 1.00 0.00 H ATOM 2111 N MET A 827 35.280 16.428 108.199 1.00 41.85 N ATOM 2112 CA MET A 827 35.918 16.339 109.509 1.00 39.74 C ATOM 2113 C MET A 827 36.455 17.696 109.949 1.00 46.06 C ATOM 2114 O MET A 827 36.435 18.028 111.142 1.00 44.66 O ATOM 2115 CB MET A 827 37.037 15.298 109.470 1.00 47.64 C ATOM 2116 CG MET A 827 36.518 13.868 109.367 1.00 42.84 C ATOM 2117 SD MET A 827 37.870 12.691 109.367 1.00 53.11 S ATOM 2118 CE MET A 827 38.512 12.910 107.712 1.00 49.76 C ATOM 2119 H MET A 827 35.681 15.916 107.387 1.00 0.00 H ATOM 2120 N LYS A 828 36.916 18.502 108.998 1.00 40.35 N ATOM 2121 CA LYS A 828 37.357 19.853 109.339 1.00 49.35 C ATOM 2122 C LYS A 828 36.186 20.703 109.814 1.00 50.43 C ATOM 2123 O LYS A 828 36.272 21.380 110.847 1.00 51.03 O ATOM 2124 CB LYS A 828 38.045 20.509 108.143 1.00 48.57 C ATOM 2125 CG LYS A 828 38.514 21.930 108.444 1.00 57.13 C ATOM 2126 CD LYS A 828 39.328 22.531 107.309 1.00 60.57 C ATOM 2127 CE LYS A 828 39.597 24.006 107.582 1.00 64.33 C ATOM 2128 NZ LYS A 828 39.904 24.220 109.027 1.00 58.04 N ATOM 2129 HZ1 LYS A 828 39.094 23.911 109.602 1.00 0.00 H ATOM 2130 HZ2 LYS A 828 40.746 23.668 109.287 1.00 0.00 H ATOM 2131 HZ3 LYS A 828 40.085 25.230 109.196 1.00 0.00 H ATOM 2132 H LYS A 828 36.963 18.172 108.013 1.00 0.00 H ATOM 2133 N ALA A 829 35.076 20.677 109.071 1.00 45.88 N ATOM 2134 CA ALA A 829 33.921 21.480 109.457 1.00 39.85 C ATOM 2135 C ALA A 829 33.463 21.127 110.862 1.00 43.84 C ATOM 2136 O ALA A 829 33.294 22.009 111.711 1.00 44.99 O ATOM 2137 CB ALA A 829 32.782 21.292 108.450 1.00 41.80 C ATOM 2138 H ALA A 829 35.035 20.084 108.217 1.00 0.00 H ATOM 2139 N ILE A 830 33.266 19.832 111.132 1.00 44.05 N ATOM 2140 CA ILE A 830 32.819 19.417 112.459 1.00 44.15 C ATOM 2141 C ILE A 830 33.795 19.892 113.521 1.00 50.45 C ATOM 2142 O ILE A 830 33.395 20.367 114.593 1.00 48.73 O ATOM 2143 CB ILE A 830 32.635 17.889 112.517 1.00 44.76 C ATOM 2144 CG1 ILE A 830 31.400 17.481 111.723 1.00 42.84 C ATOM 2145 CG2 ILE A 830 32.534 17.420 113.961 1.00 41.15 C ATOM 2146 CD1 ILE A 830 30.152 18.192 112.182 1.00 44.21 C ATOM 2147 H ILE A 830 33.432 19.118 110.394 1.00 0.00 H ATOM 2148 N ASN A 831 35.090 19.764 113.243 1.00 52.78 N ATOM 2149 CA ASN A 831 36.081 20.176 114.223 1.00 57.06 C ATOM 2150 C ASN A 831 36.110 21.688 114.386 1.00 56.67 C ATOM 2151 O ASN A 831 36.442 22.183 115.468 1.00 56.70 O ATOM 2152 CB ASN A 831 37.452 19.651 113.829 1.00 54.68 C ATOM 2153 CG ASN A 831 38.491 19.948 114.870 1.00 69.21 C ATOM 2154 OD1 ASN A 831 38.469 19.374 115.959 1.00 70.79 O ATOM 2155 ND2 ASN A 831 39.405 20.862 114.555 1.00 71.92 N ATOM 2156 HD22 ASN A 831 39.382 21.320 113.621 1.00 0.00 H ATOM 2157 HD21 ASN A 831 40.142 21.119 115.242 1.00 0.00 H ATOM 2158 H ASN A 831 35.392 19.371 112.329 1.00 0.00 H ATOM 2159 N ASP A 832 35.753 22.436 113.340 1.00 47.97 N ATOM 2160 CA ASP A 832 35.580 23.875 113.491 1.00 51.34 C ATOM 2161 C ASP A 832 34.277 24.243 114.185 1.00 56.39 C ATOM 2162 O ASP A 832 34.017 25.437 114.363 1.00 53.95 O ATOM 2163 CB ASP A 832 35.637 24.572 112.128 1.00 53.06 C ATOM 2164 CG ASP A 832 36.995 24.447 111.458 1.00 56.52 C ATOM 2165 OD1 ASP A 832 37.969 24.071 112.143 1.00 58.76 O ATOM 2166 OD2 ASP A 832 37.087 24.725 110.241 1.00 60.62 O ATOM 2167 H ASP A 832 35.598 21.990 112.413 1.00 0.00 H ATOM 2168 N GLY A 833 33.450 23.267 114.564 1.00 54.80 N ATOM 2169 CA GLY A 833 32.193 23.536 115.231 1.00 47.79 C ATOM 2170 C GLY A 833 30.981 23.608 114.326 1.00 42.36 C ATOM 2171 O GLY A 833 29.882 23.887 114.816 1.00 44.13 O ATOM 2172 H GLY A 833 33.717 22.280 114.374 1.00 0.00 H ATOM 2173 N PHE A 834 31.145 23.379 113.027 1.00 40.95 N ATOM 2174 CA PHE A 834 30.001 23.350 112.132 1.00 41.59 C ATOM 2175 C PHE A 834 29.072 22.208 112.523 1.00 36.99 C ATOM 2176 O PHE A 834 29.503 21.188 113.063 1.00 40.04 O ATOM 2177 CB PHE A 834 30.456 23.178 110.685 1.00 38.10 C ATOM 2178 CG PHE A 834 29.323 23.062 109.707 1.00 41.57 C ATOM 2179 CD1 PHE A 834 28.534 24.157 109.416 1.00 37.83 C ATOM 2180 CD2 PHE A 834 29.039 21.855 109.085 1.00 41.98 C ATOM 2181 CE1 PHE A 834 27.482 24.063 108.522 1.00 41.54 C ATOM 2182 CE2 PHE A 834 27.997 21.748 108.190 1.00 36.62 C ATOM 2183 CZ PHE A 834 27.209 22.857 107.905 1.00 43.39 C ATOM 2184 H PHE A 834 32.100 23.219 112.648 1.00 0.00 H ATOM 2185 N ARG A 835 27.784 22.419 112.297 1.00 40.21 N ATOM 2186 CA ARG A 835 26.776 21.382 112.451 1.00 38.29 C ATOM 2187 C ARG A 835 25.788 21.530 111.306 1.00 41.10 C ATOM 2188 O ARG A 835 25.610 22.622 110.762 1.00 33.07 O ATOM 2189 CB ARG A 835 26.047 21.471 113.804 1.00 40.11 C ATOM 2190 CG ARG A 835 26.923 21.242 115.035 1.00 37.46 C ATOM 2191 CD ARG A 835 27.466 19.808 115.105 1.00 39.04 C ATOM 2192 NE ARG A 835 28.101 19.527 116.392 1.00 38.06 N ATOM 2193 CZ ARG A 835 29.410 19.622 116.626 1.00 43.03 C ATOM 2194 NH1 ARG A 835 30.239 20.005 115.662 1.00 37.33 N ATOM 2195 NH2 ARG A 835 29.889 19.334 117.830 1.00 42.85 N ATOM 2196 HE ARG A 835 27.489 19.233 117.180 1.00 0.00 H ATOM 2197 HH12 ARG A 835 31.259 20.077 115.852 1.00 0.00 H ATOM 2198 HH11 ARG A 835 29.868 20.233 114.717 1.00 0.00 H ATOM 2199 HH22 ARG A 835 30.910 19.407 118.015 1.00 0.00 H ATOM 2200 HH21 ARG A 835 29.243 19.035 118.589 1.00 0.00 H ATOM 2201 H ARG A 835 27.480 23.367 111.996 1.00 0.00 H ATOM 2202 N LEU A 836 25.154 20.424 110.939 1.00 34.07 N ATOM 2203 CA LEU A 836 24.213 20.445 109.830 1.00 31.22 C ATOM 2204 C LEU A 836 23.129 21.492 110.081 1.00 30.61 C ATOM 2205 O LEU A 836 22.669 21.650 111.219 1.00 35.11 O ATOM 2206 CB LEU A 836 23.589 19.059 109.647 1.00 29.45 C ATOM 2207 CG LEU A 836 24.636 18.120 109.046 1.00 36.17 C ATOM 2208 CD1 LEU A 836 24.201 16.663 109.170 1.00 30.87 C ATOM 2209 CD2 LEU A 836 24.905 18.511 107.588 1.00 34.19 C ATOM 2210 H LEU A 836 25.331 19.535 111.448 1.00 0.00 H ATOM 2211 N PRO A 837 22.710 22.218 109.051 1.00 32.94 N ATOM 2212 CA PRO A 837 21.760 23.321 109.233 1.00 37.43 C ATOM 2213 C PRO A 837 20.328 22.833 109.429 1.00 40.11 C ATOM 2214 O PRO A 837 19.966 21.692 109.121 1.00 31.28 O ATOM 2215 CB PRO A 837 21.891 24.097 107.918 1.00 35.79 C ATOM 2216 CG PRO A 837 22.249 23.023 106.912 1.00 36.49 C ATOM 2217 CD PRO A 837 23.198 22.132 107.664 1.00 35.06 C ATOM 2218 N THR A 838 19.499 23.749 109.912 1.00 35.82 N ATOM 2219 CA THR A 838 18.096 23.448 110.167 1.00 36.33 C ATOM 2220 C THR A 838 17.340 23.218 108.868 1.00 41.43 C ATOM 2221 O THR A 838 17.200 24.158 108.074 1.00 36.27 O ATOM 2222 CB THR A 838 17.428 24.579 110.944 1.00 39.26 C ATOM 2223 OG1 THR A 838 18.232 24.919 112.084 1.00 42.08 O ATOM 2224 CG2 THR A 838 16.052 24.120 111.412 1.00 39.90 C ATOM 2225 HG1 THR A 838 17.797 25.653 112.586 1.00 0.00 H ATOM 2226 H THR A 838 19.858 24.704 110.113 1.00 0.00 H ATOM 2227 N PRO A 839 16.829 22.016 108.608 1.00 31.84 N ATOM 2228 CA PRO A 839 16.086 21.797 107.365 1.00 35.57 C ATOM 2229 C PRO A 839 14.834 22.652 107.368 1.00 37.93 C ATOM 2230 O PRO A 839 14.279 22.965 108.423 1.00 37.32 O ATOM 2231 CB PRO A 839 15.743 20.297 107.406 1.00 34.29 C ATOM 2232 CG PRO A 839 16.631 19.716 108.467 1.00 35.43 C ATOM 2233 CD PRO A 839 16.886 20.810 109.451 1.00 35.62 C ATOM 2234 N MET A 840 14.408 23.049 106.172 1.00 43.87 N ATOM 2235 CA MET A 840 13.138 23.744 106.040 1.00 49.71 C ATOM 2236 C MET A 840 12.032 22.871 106.611 1.00 53.21 C ATOM 2237 O MET A 840 12.059 21.644 106.478 1.00 50.82 O ATOM 2238 CB MET A 840 12.849 24.074 104.574 1.00 50.84 C ATOM 2239 CG MET A 840 13.550 25.311 104.033 1.00 51.80 C ATOM 2240 SD MET A 840 12.863 26.856 104.666 1.00 62.62 S ATOM 2241 CE MET A 840 11.114 26.482 104.696 1.00 56.95 C ATOM 2242 H MET A 840 14.986 22.861 105.328 1.00 0.00 H ATOM 2243 N ASP A 841 11.066 23.503 107.275 1.00 52.24 N ATOM 2244 CA ASP A 841 9.938 22.788 107.880 1.00 58.10 C ATOM 2245 C ASP A 841 10.377 21.773 108.936 1.00 54.55 C ATOM 2246 O ASP A 841 9.651 20.815 109.207 1.00 54.00 O ATOM 2247 CB ASP A 841 9.076 22.089 106.822 1.00 61.74 C ATOM 2248 CG ASP A 841 8.673 23.020 105.688 1.00 66.91 C ATOM 2249 OD1 ASP A 841 8.713 22.574 104.519 1.00 65.98 O ATOM 2250 OD2 ASP A 841 8.324 24.189 105.966 1.00 66.16 O ATOM 2251 H ASP A 841 11.113 24.538 107.367 1.00 0.00 H ATOM 2252 N CYS A 842 11.562 21.952 109.534 1.00 45.84 N ATOM 2253 CA CYS A 842 11.926 21.201 110.730 1.00 44.68 C ATOM 2254 C CYS A 842 11.527 21.997 111.960 1.00 48.32 C ATOM 2255 O CYS A 842 11.948 23.154 112.093 1.00 47.14 O ATOM 2256 CB CYS A 842 13.422 20.918 110.775 1.00 38.29 C ATOM 2257 SG CYS A 842 13.995 20.002 112.274 1.00 36.99 S ATOM 2258 H CYS A 842 12.235 22.639 109.138 1.00 0.00 H ATOM 2259 N PRO A 843 10.710 21.447 112.858 1.00 43.86 N ATOM 2260 CA PRO A 843 10.351 22.184 114.074 1.00 45.33 C ATOM 2261 C PRO A 843 11.584 22.490 114.906 1.00 44.84 C ATOM 2262 O PRO A 843 12.567 21.747 114.896 1.00 40.04 O ATOM 2263 CB PRO A 843 9.409 21.225 114.811 1.00 42.67 C ATOM 2264 CG PRO A 843 8.851 20.370 113.743 1.00 44.28 C ATOM 2265 CD PRO A 843 9.970 20.179 112.752 1.00 45.10 C ATOM 2266 N SER A 844 11.520 23.612 115.629 1.00 43.95 N ATOM 2267 CA SER A 844 12.649 24.032 116.453 1.00 43.38 C ATOM 2268 C SER A 844 13.002 22.974 117.486 1.00 41.14 C ATOM 2269 O SER A 844 14.183 22.699 117.725 1.00 41.17 O ATOM 2270 CB SER A 844 12.331 25.363 117.137 1.00 46.57 C ATOM 2271 OG SER A 844 13.312 25.675 118.109 1.00 46.69 O ATOM 2272 HG SER A 844 13.335 24.961 118.794 1.00 0.00 H ATOM 2273 H SER A 844 10.657 24.192 115.604 1.00 0.00 H ATOM 2274 N ALA A 845 11.988 22.358 118.100 1.00 37.81 N ATOM 2275 CA ALA A 845 12.244 21.339 119.113 1.00 45.30 C ATOM 2276 C ALA A 845 12.981 20.133 118.534 1.00 39.44 C ATOM 2277 O ALA A 845 13.822 19.538 119.216 1.00 36.73 O ATOM 2278 CB ALA A 845 10.931 20.898 119.761 1.00 44.48 C ATOM 2279 H ALA A 845 11.008 22.607 117.854 1.00 0.00 H ATOM 2280 N ILE A 846 12.702 19.770 117.281 1.00 36.20 N ATOM 2281 CA ILE A 846 13.408 18.633 116.685 1.00 34.94 C ATOM 2282 C ILE A 846 14.857 19.001 116.393 1.00 37.91 C ATOM 2283 O ILE A 846 15.776 18.209 116.646 1.00 37.03 O ATOM 2284 CB ILE A 846 12.672 18.143 115.425 1.00 37.19 C ATOM 2285 CG1 ILE A 846 11.276 17.605 115.797 1.00 35.11 C ATOM 2286 CG2 ILE A 846 13.505 17.073 114.696 1.00 34.31 C ATOM 2287 CD1 ILE A 846 11.303 16.459 116.782 1.00 39.82 C ATOM 2288 H ILE A 846 11.989 20.290 116.731 1.00 0.00 H ATOM 2289 N TYR A 847 15.097 20.212 115.882 1.00 35.33 N ATOM 2290 CA TYR A 847 16.476 20.619 115.623 1.00 35.00 C ATOM 2291 C TYR A 847 17.276 20.759 116.915 1.00 37.21 C ATOM 2292 O TYR A 847 18.477 20.456 116.939 1.00 36.79 O ATOM 2293 CB TYR A 847 16.522 21.922 114.826 1.00 39.85 C ATOM 2294 CG TYR A 847 17.926 22.275 114.370 1.00 35.62 C ATOM 2295 CD1 TYR A 847 18.561 21.546 113.363 1.00 32.44 C ATOM 2296 CD2 TYR A 847 18.626 23.326 114.954 1.00 39.40 C ATOM 2297 CE1 TYR A 847 19.846 21.860 112.942 1.00 38.21 C ATOM 2298 CE2 TYR A 847 19.917 23.645 114.541 1.00 34.12 C ATOM 2299 CZ TYR A 847 20.519 22.916 113.536 1.00 37.30 C ATOM 2300 OH TYR A 847 21.786 23.233 113.118 1.00 33.34 O ATOM 2301 HH TYR A 847 22.059 22.613 112.396 1.00 0.00 H ATOM 2302 H TYR A 847 14.310 20.858 115.671 1.00 0.00 H ATOM 2303 N GLN A 848 16.642 21.230 117.998 1.00 39.74 N ATOM 2304 CA GLN A 848 17.336 21.258 119.283 1.00 42.44 C ATOM 2305 C GLN A 848 17.742 19.854 119.706 1.00 41.51 C ATOM 2306 O GLN A 848 18.842 19.646 120.232 1.00 38.38 O ATOM 2307 CB GLN A 848 16.456 21.882 120.372 1.00 43.25 C ATOM 2308 CG GLN A 848 16.057 23.338 120.178 1.00 55.64 C ATOM 2309 CD GLN A 848 17.049 24.158 119.369 1.00 62.17 C ATOM 2310 OE1 GLN A 848 18.246 24.209 119.678 1.00 65.35 O ATOM 2311 NE2 GLN A 848 16.545 24.831 118.336 1.00 62.72 N ATOM 2312 HE22 GLN A 848 15.532 24.759 118.113 1.00 0.00 H ATOM 2313 HE21 GLN A 848 17.165 25.429 117.753 1.00 0.00 H ATOM 2314 H GLN A 848 15.663 21.573 117.924 1.00 0.00 H ATOM 2315 N LEU A 849 16.855 18.878 119.503 1.00 36.15 N ATOM 2316 CA LEU A 849 17.221 17.502 119.817 1.00 32.02 C ATOM 2317 C LEU A 849 18.413 17.047 118.975 1.00 33.15 C ATOM 2318 O LEU A 849 19.346 16.426 119.499 1.00 34.40 O ATOM 2319 CB LEU A 849 16.019 16.583 119.619 1.00 37.06 C ATOM 2320 CG LEU A 849 16.257 15.117 119.973 1.00 40.74 C ATOM 2321 CD1 LEU A 849 16.880 14.987 121.355 1.00 37.01 C ATOM 2322 CD2 LEU A 849 14.937 14.320 119.893 1.00 37.86 C ATOM 2323 H LEU A 849 15.911 19.097 119.124 1.00 0.00 H ATOM 2324 N MET A 850 18.413 17.362 117.675 1.00 32.22 N ATOM 2325 CA MET A 850 19.572 17.043 116.834 1.00 41.42 C ATOM 2326 C MET A 850 20.854 17.587 117.440 1.00 37.98 C ATOM 2327 O MET A 850 21.869 16.887 117.534 1.00 28.79 O ATOM 2328 CB MET A 850 19.419 17.642 115.433 1.00 36.20 C ATOM 2329 CG MET A 850 18.347 17.075 114.585 1.00 39.81 C ATOM 2330 SD MET A 850 18.503 17.734 112.922 1.00 33.29 S ATOM 2331 CE MET A 850 16.813 17.415 112.443 1.00 31.21 C ATOM 2332 H MET A 850 17.586 17.836 117.258 1.00 0.00 H ATOM 2333 N MET A 851 20.828 18.865 117.816 1.00 34.47 N ATOM 2334 CA MET A 851 22.029 19.527 118.306 1.00 38.10 C ATOM 2335 C MET A 851 22.522 18.885 119.591 1.00 34.07 C ATOM 2336 O MET A 851 23.733 18.796 119.825 1.00 41.01 O ATOM 2337 CB MET A 851 21.743 21.024 118.517 1.00 33.36 C ATOM 2338 CG MET A 851 21.541 21.816 117.237 1.00 34.32 C ATOM 2339 SD MET A 851 23.054 21.939 116.262 1.00 40.64 S ATOM 2340 CE MET A 851 24.060 23.022 117.292 1.00 47.14 C ATOM 2341 H MET A 851 19.937 19.398 117.759 1.00 0.00 H ATOM 2342 N GLN A 852 21.596 18.428 120.437 1.00 38.84 N ATOM 2343 CA GLN A 852 22.000 17.725 121.648 1.00 34.74 C ATOM 2344 C GLN A 852 22.695 16.417 121.305 1.00 41.67 C ATOM 2345 O GLN A 852 23.678 16.040 121.953 1.00 40.63 O ATOM 2346 CB GLN A 852 20.788 17.467 122.538 1.00 39.99 C ATOM 2347 CG GLN A 852 20.060 18.728 123.010 1.00 42.73 C ATOM 2348 CD GLN A 852 18.742 18.398 123.700 1.00 54.57 C ATOM 2349 OE1 GLN A 852 18.652 17.427 124.453 1.00 63.56 O ATOM 2350 NE2 GLN A 852 17.712 19.200 123.440 1.00 60.57 N ATOM 2351 HE22 GLN A 852 17.832 20.009 122.798 1.00 0.00 H ATOM 2352 HE21 GLN A 852 16.787 19.018 123.879 1.00 0.00 H ATOM 2353 H GLN A 852 20.587 18.574 120.232 1.00 0.00 H ATOM 2354 N CYS A 853 22.191 15.701 120.288 1.00 35.45 N ATOM 2355 CA CYS A 853 22.870 14.485 119.848 1.00 37.61 C ATOM 2356 C CYS A 853 24.283 14.772 119.355 1.00 34.53 C ATOM 2357 O CYS A 853 25.163 13.912 119.472 1.00 35.33 O ATOM 2358 CB CYS A 853 22.066 13.788 118.747 1.00 36.04 C ATOM 2359 SG CYS A 853 20.455 13.140 119.258 1.00 35.75 S ATOM 2360 H CYS A 853 21.319 16.011 119.814 1.00 0.00 H ATOM 2361 N TRP A 854 24.526 15.973 118.817 1.00 32.87 N ATOM 2362 CA TRP A 854 25.808 16.312 118.218 1.00 31.43 C ATOM 2363 C TRP A 854 26.725 17.065 119.177 1.00 39.18 C ATOM 2364 O TRP A 854 27.657 17.736 118.727 1.00 38.64 O ATOM 2365 CB TRP A 854 25.611 17.141 116.948 1.00 34.97 C ATOM 2366 CG TRP A 854 24.857 16.452 115.851 1.00 32.62 C ATOM 2367 CD1 TRP A 854 24.800 15.090 115.594 1.00 31.99 C ATOM 2368 CD2 TRP A 854 24.013 17.081 114.886 1.00 34.18 C ATOM 2369 NE1 TRP A 854 23.975 14.858 114.509 1.00 29.65 N ATOM 2370 CE2 TRP A 854 23.482 16.063 114.062 1.00 28.80 C ATOM 2371 CE3 TRP A 854 23.655 18.416 114.630 1.00 28.93 C ATOM 2372 CZ2 TRP A 854 22.636 16.344 112.996 1.00 31.36 C ATOM 2373 CZ3 TRP A 854 22.807 18.689 113.581 1.00 34.21 C ATOM 2374 CH2 TRP A 854 22.301 17.655 112.774 1.00 34.23 C ATOM 2375 HE1 TRP A 854 23.762 13.927 114.098 1.00 0.00 H ATOM 2376 H TRP A 854 23.772 16.689 118.827 1.00 0.00 H ATOM 2377 N GLN A 855 26.484 16.959 120.480 1.00 40.06 N ATOM 2378 CA GLN A 855 27.394 17.536 121.459 1.00 43.01 C ATOM 2379 C GLN A 855 28.767 16.888 121.357 1.00 45.84 C ATOM 2380 O GLN A 855 28.893 15.655 121.338 1.00 39.52 O ATOM 2381 CB GLN A 855 26.834 17.358 122.868 1.00 43.36 C ATOM 2382 CG GLN A 855 25.643 18.236 123.180 1.00 43.61 C ATOM 2383 CD GLN A 855 26.043 19.516 123.881 1.00 58.33 C ATOM 2384 OE1 GLN A 855 25.797 19.683 125.075 1.00 68.41 O ATOM 2385 NE2 GLN A 855 26.663 20.426 123.143 1.00 65.82 N ATOM 2386 HE22 GLN A 855 26.850 20.240 122.137 1.00 0.00 H ATOM 2387 HE21 GLN A 855 26.963 21.326 123.570 1.00 0.00 H ATOM 2388 H GLN A 855 25.633 16.457 120.805 1.00 0.00 H ATOM 2389 N GLN A 856 29.800 17.736 121.318 1.00 41.33 N ATOM 2390 CA GLN A 856 31.167 17.245 121.203 1.00 41.51 C ATOM 2391 C GLN A 856 31.519 16.286 122.338 1.00 41.01 C ATOM 2392 O GLN A 856 32.155 15.250 122.109 1.00 45.97 O ATOM 2393 CB GLN A 856 32.139 18.428 121.171 1.00 48.63 C ATOM 2394 CG GLN A 856 33.518 18.050 120.681 1.00 44.23 C ATOM 2395 CD GLN A 856 33.583 17.982 119.168 1.00 52.82 C ATOM 2396 OE1 GLN A 856 32.704 18.500 118.474 1.00 60.32 O ATOM 2397 NE2 GLN A 856 34.625 17.341 118.645 1.00 51.25 N ATOM 2398 HE22 GLN A 856 35.343 16.919 119.269 1.00 0.00 H ATOM 2399 HE21 GLN A 856 34.722 17.262 117.613 1.00 0.00 H ATOM 2400 H GLN A 856 29.625 18.760 121.370 1.00 0.00 H ATOM 2401 N GLU A 857 31.102 16.591 123.563 1.00 43.50 N ATOM 2402 CA GLU A 857 31.346 15.694 124.689 1.00 48.99 C ATOM 2403 C GLU A 857 30.257 14.630 124.737 1.00 46.38 C ATOM 2404 O GLU A 857 29.079 14.952 124.935 1.00 48.74 O ATOM 2405 CB GLU A 857 31.396 16.451 126.015 1.00 54.62 C ATOM 2406 CG GLU A 857 31.403 15.525 127.238 1.00 55.42 C ATOM 2407 CD GLU A 857 32.617 14.611 127.277 1.00 66.34 C ATOM 2408 OE1 GLU A 857 33.723 15.079 126.914 1.00 67.02 O ATOM 2409 OE2 GLU A 857 32.464 13.427 127.664 1.00 57.22 O ATOM 2410 H GLU A 857 30.593 17.484 123.722 1.00 0.00 H ATOM 2411 N ARG A 858 30.658 13.365 124.578 1.00 47.06 N ATOM 2412 CA ARG A 858 29.686 12.274 124.519 1.00 43.19 C ATOM 2413 C ARG A 858 28.880 12.167 125.806 1.00 47.61 C ATOM 2414 O ARG A 858 27.738 11.685 125.785 1.00 46.08 O ATOM 2415 CB ARG A 858 30.393 10.948 124.219 1.00 44.88 C ATOM 2416 CG ARG A 858 31.443 10.523 125.246 1.00 49.07 C ATOM 2417 CD ARG A 858 32.123 9.209 124.828 1.00 54.98 C ATOM 2418 NE ARG A 858 32.962 8.654 125.890 1.00 52.43 N ATOM 2419 CZ ARG A 858 33.644 7.515 125.799 1.00 56.51 C ATOM 2420 NH1 ARG A 858 33.598 6.787 124.689 1.00 50.31 N ATOM 2421 NH2 ARG A 858 34.376 7.096 126.825 1.00 53.43 N ATOM 2422 HE ARG A 858 33.030 9.188 126.780 1.00 0.00 H ATOM 2423 HH12 ARG A 858 34.135 5.898 124.627 1.00 0.00 H ATOM 2424 HH11 ARG A 858 33.025 7.106 123.881 1.00 0.00 H ATOM 2425 HH22 ARG A 858 34.909 6.206 126.754 1.00 0.00 H ATOM 2426 HH21 ARG A 858 34.416 7.658 127.699 1.00 0.00 H ATOM 2427 H ARG A 858 31.673 13.154 124.495 1.00 0.00 H ATOM 2428 N ALA A 859 29.442 12.622 126.931 1.00 53.56 N ATOM 2429 CA ALA A 859 28.709 12.542 128.189 1.00 52.32 C ATOM 2430 C ALA A 859 27.502 13.469 128.195 1.00 38.87 C ATOM 2431 O ALA A 859 26.526 13.201 128.903 1.00 54.93 O ATOM 2432 CB ALA A 859 29.633 12.863 129.366 1.00 54.52 C ATOM 2433 H ALA A 859 30.398 13.031 126.909 1.00 0.00 H ATOM 2434 N ARG A 860 27.533 14.535 127.403 1.00 46.90 N ATOM 2435 CA ARG A 860 26.446 15.506 127.341 1.00 45.49 C ATOM 2436 C ARG A 860 25.336 15.120 126.361 1.00 48.30 C ATOM 2437 O ARG A 860 24.332 15.837 126.272 1.00 47.60 O ATOM 2438 CB ARG A 860 26.999 16.884 126.964 1.00 56.47 C ATOM 2439 CG ARG A 860 28.078 17.416 127.914 1.00 63.02 C ATOM 2440 CD ARG A 860 28.817 18.613 127.313 1.00 68.11 C ATOM 2441 NE ARG A 860 28.016 19.838 127.279 1.00 71.17 N ATOM 2442 CZ ARG A 860 28.225 20.893 128.063 1.00 70.90 C ATOM 2443 NH1 ARG A 860 29.221 20.887 128.941 1.00 67.45 N ATOM 2444 NH2 ARG A 860 27.445 21.961 127.961 1.00 79.98 N ATOM 2445 HE ARG A 860 27.232 19.887 126.597 1.00 0.00 H ATOM 2446 HH12 ARG A 860 29.381 21.713 129.552 1.00 0.00 H ATOM 2447 HH11 ARG A 860 29.841 20.056 129.018 1.00 0.00 H ATOM 2448 HH22 ARG A 860 27.609 22.785 128.574 1.00 0.00 H ATOM 2449 HH21 ARG A 860 26.670 21.974 127.268 1.00 0.00 H ATOM 2450 H ARG A 860 28.368 14.684 126.801 1.00 0.00 H ATOM 2451 N ARG A 861 25.491 14.022 125.611 1.00 47.20 N ATOM 2452 CA ARG A 861 24.453 13.647 124.659 1.00 43.47 C ATOM 2453 C ARG A 861 23.315 12.926 125.374 1.00 36.32 C ATOM 2454 O ARG A 861 23.544 12.194 126.340 1.00 41.79 O ATOM 2455 CB ARG A 861 25.021 12.745 123.564 1.00 37.13 C ATOM 2456 CG ARG A 861 26.001 13.429 122.648 1.00 38.16 C ATOM 2457 CD ARG A 861 26.779 12.422 121.811 1.00 37.86 C ATOM 2458 NE ARG A 861 28.053 12.990 121.385 1.00 36.27 N ATOM 2459 CZ ARG A 861 29.115 12.265 121.052 1.00 39.27 C ATOM 2460 NH1 ARG A 861 29.038 10.938 121.086 1.00 35.35 N ATOM 2461 NH2 ARG A 861 30.255 12.853 120.700 1.00 35.98 N ATOM 2462 HE ARG A 861 28.135 14.026 121.339 1.00 0.00 H ATOM 2463 HH12 ARG A 861 29.865 10.362 120.827 1.00 0.00 H ATOM 2464 HH11 ARG A 861 28.151 10.476 121.372 1.00 0.00 H ATOM 2465 HH22 ARG A 861 31.080 12.275 120.441 1.00 0.00 H ATOM 2466 HH21 ARG A 861 30.321 13.891 120.684 1.00 0.00 H ATOM 2467 H ARG A 861 26.347 13.440 125.707 1.00 0.00 H ATOM 2468 N PRO A 862 22.076 13.124 124.926 1.00 38.74 N ATOM 2469 CA PRO A 862 20.967 12.358 125.500 1.00 38.92 C ATOM 2470 C PRO A 862 21.170 10.867 125.297 1.00 39.27 C ATOM 2471 O PRO A 862 21.900 10.427 124.408 1.00 39.53 O ATOM 2472 CB PRO A 862 19.739 12.859 124.731 1.00 41.12 C ATOM 2473 CG PRO A 862 20.279 13.571 123.534 1.00 46.27 C ATOM 2474 CD PRO A 862 21.620 14.102 123.929 1.00 43.21 C ATOM 2475 N LYS A 863 20.535 10.088 126.164 1.00 39.80 N ATOM 2476 CA LYS A 863 20.480 8.648 125.990 1.00 42.69 C ATOM 2477 C LYS A 863 19.321 8.290 125.065 1.00 38.35 C ATOM 2478 O LYS A 863 18.374 9.065 124.893 1.00 39.14 O ATOM 2479 CB LYS A 863 20.319 7.952 127.345 1.00 46.17 C ATOM 2480 CG LYS A 863 21.368 8.359 128.382 1.00 45.70 C ATOM 2481 CD LYS A 863 22.744 7.837 127.998 1.00 50.38 C ATOM 2482 CE LYS A 863 23.807 8.278 128.998 1.00 61.28 C ATOM 2483 NZ LYS A 863 25.165 7.788 128.619 1.00 62.59 N ATOM 2484 HZ1 LYS A 863 25.160 6.749 128.585 1.00 0.00 H ATOM 2485 HZ2 LYS A 863 25.420 8.165 127.684 1.00 0.00 H ATOM 2486 HZ3 LYS A 863 25.858 8.110 129.325 1.00 0.00 H ATOM 2487 H LYS A 863 20.066 10.519 126.986 1.00 0.00 H ATOM 2488 N PHE A 864 19.404 7.108 124.445 1.00 39.75 N ATOM 2489 CA PHE A 864 18.306 6.714 123.567 1.00 35.50 C ATOM 2490 C PHE A 864 16.996 6.653 124.335 1.00 40.05 C ATOM 2491 O PHE A 864 15.937 6.982 123.786 1.00 38.30 O ATOM 2492 CB PHE A 864 18.603 5.380 122.884 1.00 36.61 C ATOM 2493 CG PHE A 864 19.510 5.507 121.681 1.00 33.16 C ATOM 2494 CD1 PHE A 864 19.087 6.205 120.552 1.00 29.62 C ATOM 2495 CD2 PHE A 864 20.773 4.942 121.680 1.00 31.38 C ATOM 2496 CE1 PHE A 864 19.921 6.339 119.439 1.00 28.41 C ATOM 2497 CE2 PHE A 864 21.612 5.060 120.567 1.00 30.40 C ATOM 2498 CZ PHE A 864 21.178 5.763 119.445 1.00 31.13 C ATOM 2499 H PHE A 864 20.227 6.487 124.584 1.00 0.00 H ATOM 2500 N ALA A 865 17.054 6.262 125.610 1.00 41.21 N ATOM 2501 CA ALA A 865 15.866 6.304 126.454 1.00 48.48 C ATOM 2502 C ALA A 865 15.273 7.711 126.491 1.00 38.66 C ATOM 2503 O ALA A 865 14.058 7.888 126.335 1.00 45.01 O ATOM 2504 CB ALA A 865 16.211 5.814 127.860 1.00 47.67 C ATOM 2505 H ALA A 865 17.955 5.924 126.005 1.00 0.00 H ATOM 2506 N ASP A 866 16.123 8.727 126.671 1.00 42.45 N ATOM 2507 CA ASP A 866 15.646 10.109 126.705 1.00 44.30 C ATOM 2508 C ASP A 866 15.055 10.522 125.369 1.00 44.65 C ATOM 2509 O ASP A 866 14.023 11.200 125.317 1.00 46.10 O ATOM 2510 CB ASP A 866 16.786 11.063 127.068 1.00 42.52 C ATOM 2511 CG ASP A 866 17.534 10.628 128.309 1.00 52.22 C ATOM 2512 OD1 ASP A 866 16.899 10.008 129.189 1.00 56.16 O ATOM 2513 OD2 ASP A 866 18.747 10.906 128.399 1.00 47.69 O ATOM 2514 H ASP A 866 17.138 8.532 126.788 1.00 0.00 H ATOM 2515 N ILE A 867 15.720 10.151 124.274 1.00 39.35 N ATOM 2516 CA ILE A 867 15.224 10.504 122.948 1.00 35.39 C ATOM 2517 C ILE A 867 13.810 9.964 122.747 1.00 37.62 C ATOM 2518 O ILE A 867 12.912 10.682 122.288 1.00 39.70 O ATOM 2519 CB ILE A 867 16.205 9.997 121.875 1.00 37.94 C ATOM 2520 CG1 ILE A 867 17.504 10.809 121.942 1.00 37.75 C ATOM 2521 CG2 ILE A 867 15.583 10.052 120.482 1.00 35.13 C ATOM 2522 CD1 ILE A 867 18.686 10.137 121.254 1.00 36.11 C ATOM 2523 H ILE A 867 16.600 9.605 124.366 1.00 0.00 H ATOM 2524 N VAL A 868 13.587 8.698 123.113 1.00 35.12 N ATOM 2525 CA VAL A 868 12.262 8.100 122.962 1.00 37.52 C ATOM 2526 C VAL A 868 11.227 8.899 123.747 1.00 41.70 C ATOM 2527 O VAL A 868 10.153 9.239 123.232 1.00 43.07 O ATOM 2528 CB VAL A 868 12.290 6.625 123.394 1.00 37.29 C ATOM 2529 CG1 VAL A 868 10.887 6.083 123.527 1.00 39.82 C ATOM 2530 CG2 VAL A 868 13.066 5.795 122.379 1.00 34.06 C ATOM 2531 H VAL A 868 14.365 8.132 123.509 1.00 0.00 H ATOM 2532 N SER A 869 11.553 9.238 124.996 1.00 44.12 N ATOM 2533 CA SER A 869 10.638 10.016 125.836 1.00 44.45 C ATOM 2534 C SER A 869 10.399 11.415 125.276 1.00 47.72 C ATOM 2535 O SER A 869 9.262 11.908 125.283 1.00 46.81 O ATOM 2536 CB SER A 869 11.200 10.112 127.254 1.00 46.59 C ATOM 2537 OG SER A 869 11.477 8.821 127.771 1.00 49.95 O ATOM 2538 HG SER A 869 12.142 8.371 127.192 1.00 0.00 H ATOM 2539 H SER A 869 12.474 8.945 125.380 1.00 0.00 H ATOM 2540 N ILE A 870 11.459 12.086 124.816 1.00 44.91 N ATOM 2541 CA ILE A 870 11.293 13.424 124.254 1.00 44.37 C ATOM 2542 C ILE A 870 10.383 13.374 123.035 1.00 43.79 C ATOM 2543 O ILE A 870 9.469 14.194 122.880 1.00 43.76 O ATOM 2544 CB ILE A 870 12.662 14.042 123.909 1.00 43.06 C ATOM 2545 CG1 ILE A 870 13.457 14.346 125.178 1.00 47.11 C ATOM 2546 CG2 ILE A 870 12.482 15.291 123.062 1.00 40.81 C ATOM 2547 CD1 ILE A 870 14.946 14.521 124.928 1.00 46.11 C ATOM 2548 H ILE A 870 12.404 11.655 124.858 1.00 0.00 H ATOM 2549 N LEU A 871 10.620 12.408 122.150 1.00 40.30 N ATOM 2550 CA LEU A 871 9.799 12.293 120.954 1.00 41.60 C ATOM 2551 C LEU A 871 8.361 11.933 121.308 1.00 42.60 C ATOM 2552 O LEU A 871 7.419 12.460 120.707 1.00 43.44 O ATOM 2553 CB LEU A 871 10.410 11.257 120.007 1.00 32.33 C ATOM 2554 CG LEU A 871 11.783 11.620 119.429 1.00 34.15 C ATOM 2555 CD1 LEU A 871 12.314 10.460 118.594 1.00 35.44 C ATOM 2556 CD2 LEU A 871 11.726 12.906 118.604 1.00 34.88 C ATOM 2557 H LEU A 871 11.394 11.733 122.314 1.00 0.00 H ATOM 2558 N ASP A 872 8.173 11.029 122.272 1.00 44.23 N ATOM 2559 CA ASP A 872 6.820 10.682 122.699 1.00 45.54 C ATOM 2560 C ASP A 872 6.065 11.927 123.149 1.00 50.71 C ATOM 2561 O ASP A 872 4.923 12.156 122.739 1.00 52.07 O ATOM 2562 CB ASP A 872 6.865 9.643 123.825 1.00 44.76 C ATOM 2563 CG ASP A 872 6.929 8.218 123.313 1.00 48.66 C ATOM 2564 OD1 ASP A 872 6.665 7.992 122.114 1.00 50.05 O ATOM 2565 OD2 ASP A 872 7.243 7.309 124.113 1.00 54.69 O ATOM 2566 H ASP A 872 8.992 10.571 122.720 1.00 0.00 H ATOM 2567 N LYS A 873 6.710 12.767 123.964 1.00 49.82 N ATOM 2568 CA LYS A 873 6.049 13.958 124.495 1.00 52.05 C ATOM 2569 C LYS A 873 5.651 14.926 123.389 1.00 53.04 C ATOM 2570 O LYS A 873 4.551 15.491 123.416 1.00 52.91 O ATOM 2571 CB LYS A 873 6.957 14.652 125.506 1.00 53.92 C ATOM 2572 CG LYS A 873 7.116 13.881 126.812 1.00 59.32 C ATOM 2573 CD LYS A 873 8.242 14.445 127.675 1.00 60.99 C ATOM 2574 CE LYS A 873 7.958 15.865 128.144 1.00 64.59 C ATOM 2575 NZ LYS A 873 9.065 16.392 129.007 1.00 71.07 N ATOM 2576 HZ1 LYS A 873 9.170 15.784 129.844 1.00 0.00 H ATOM 2577 HZ2 LYS A 873 9.953 16.395 128.466 1.00 0.00 H ATOM 2578 HZ3 LYS A 873 8.837 17.361 129.308 1.00 0.00 H ATOM 2579 H LYS A 873 7.697 12.570 124.225 1.00 0.00 H ATOM 2580 N LEU A 874 6.536 15.150 122.419 1.00 49.03 N ATOM 2581 CA LEU A 874 6.188 16.042 121.319 1.00 47.28 C ATOM 2582 C LEU A 874 5.023 15.488 120.518 1.00 50.55 C ATOM 2583 O LEU A 874 4.120 16.233 120.125 1.00 48.06 O ATOM 2584 CB LEU A 874 7.395 16.268 120.415 1.00 47.53 C ATOM 2585 CG LEU A 874 8.591 16.945 121.070 1.00 49.31 C ATOM 2586 CD1 LEU A 874 9.827 16.754 120.210 1.00 46.34 C ATOM 2587 CD2 LEU A 874 8.302 18.428 121.291 1.00 53.68 C ATOM 2588 H LEU A 874 7.469 14.692 122.446 1.00 0.00 H ATOM 2589 N ILE A 875 5.024 14.177 120.277 1.00 46.47 N ATOM 2590 CA ILE A 875 3.956 13.547 119.510 1.00 49.60 C ATOM 2591 C ILE A 875 2.606 13.682 120.214 1.00 57.87 C ATOM 2592 O ILE A 875 1.567 13.818 119.553 1.00 56.43 O ATOM 2593 CB ILE A 875 4.320 12.073 119.233 1.00 47.84 C ATOM 2594 CG1 ILE A 875 5.522 11.999 118.284 1.00 43.55 C ATOM 2595 CG2 ILE A 875 3.131 11.317 118.665 1.00 45.46 C ATOM 2596 CD1 ILE A 875 6.049 10.598 118.051 1.00 38.38 C ATOM 2597 H ILE A 875 5.802 13.592 120.643 1.00 0.00 H ATOM 2598 N ARG A 876 2.584 13.646 121.551 1.00 58.32 N ATOM 2599 CA ARG A 876 1.321 13.843 122.259 1.00 61.67 C ATOM 2600 C ARG A 876 0.955 15.310 122.430 1.00 64.13 C ATOM 2601 O ARG A 876 -0.160 15.602 122.873 1.00 71.19 O ATOM 2602 CB ARG A 876 1.329 13.184 123.639 1.00 59.81 C ATOM 2603 CG ARG A 876 1.382 11.679 123.656 1.00 67.77 C ATOM 2604 CD ARG A 876 1.334 11.175 125.089 1.00 74.70 C ATOM 2605 NE ARG A 876 1.453 9.725 125.174 1.00 73.86 N ATOM 2606 CZ ARG A 876 1.554 9.064 126.321 1.00 68.57 C ATOM 2607 NH1 ARG A 876 1.541 9.722 127.471 1.00 74.45 N ATOM 2608 NH2 ARG A 876 1.660 7.745 126.318 1.00 66.93 N ATOM 2609 HE ARG A 876 1.459 9.179 124.289 1.00 0.00 H ATOM 2610 HH12 ARG A 876 1.620 9.202 128.368 1.00 0.00 H ATOM 2611 HH11 ARG A 876 1.452 10.758 127.476 1.00 0.00 H ATOM 2612 HH22 ARG A 876 1.739 7.228 127.217 1.00 0.00 H ATOM 2613 HH21 ARG A 876 1.664 7.226 125.417 1.00 0.00 H ATOM 2614 H ARG A 876 3.461 13.479 122.084 1.00 0.00 H ATOM 2615 N ALA A 877 1.851 16.233 122.102 1.00 59.45 N ATOM 2616 CA ALA A 877 1.524 17.652 122.163 1.00 63.83 C ATOM 2617 C ALA A 877 1.619 18.285 120.778 1.00 63.95 C ATOM 2618 O ALA A 877 0.942 17.853 119.841 1.00 63.30 O ATOM 2619 CB ALA A 877 2.436 18.363 123.139 1.00 60.54 C ATOM 2620 H ALA A 877 2.801 15.939 121.797 1.00 0.00 H TER 2621 ALA A 877 HETATM 2622 O HOH 1 8.015 -11.960 109.378 1.00 50.30 O HETATM 2623 O HOH 2 34.346 -11.961 106.643 1.00 54.58 O HETATM 2624 O HOH 3 8.671 -22.264 108.752 1.00 60.40 O HETATM 2625 O HOH 4 19.773 -25.707 97.033 1.00 41.88 O HETATM 2626 O HOH 5 32.068 7.014 122.081 1.00 38.09 O HETATM 2627 O HOH 6 4.034 -7.925 102.199 1.00 61.95 O HETATM 2628 O HOH 7 47.431 -7.855 105.233 1.00 47.94 O HETATM 2629 O HOH 8 21.121 -2.658 106.468 1.00 35.85 O HETATM 2630 O HOH 9 25.166 0.489 125.539 1.00 49.20 O HETATM 2631 O HOH 10 14.257 -9.330 124.046 1.00 41.22 O HETATM 2632 O HOH 11 25.598 -11.564 106.780 1.00 43.04 O HETATM 2633 O HOH 12 12.885 19.806 104.794 1.00 45.14 O HETATM 2634 O HOH 13 7.609 -4.735 98.445 1.00 49.74 O HETATM 2635 O HOH 14 43.143 -9.508 101.688 1.00 43.23 O HETATM 2636 O HOH 15 11.246 15.066 128.707 1.00 55.45 O HETATM 2637 O HOH 16 26.539 -7.174 109.449 1.00 43.95 O HETATM 2638 O HOH 17 25.709 -3.157 113.872 1.00 29.78 O HETATM 2639 O HOH 18 24.996 -1.839 106.230 1.00 32.96 O HETATM 2640 O HOH 19 20.489 10.578 103.362 1.00 38.24 O HETATM 2641 O HOH 20 29.683 -3.153 117.901 1.00 47.84 O HETATM 2642 O HOH 21 50.430 -8.873 105.078 1.00 41.55 O HETATM 2643 O HOH 22 28.771 4.296 117.196 1.00 31.06 O HETATM 2644 O HOH 23 4.879 0.910 115.617 1.00 53.68 O HETATM 2645 O HOH 24 6.596 5.040 111.710 1.00 35.07 O HETATM 2646 O HOH 25 7.497 -10.535 106.717 1.00 39.62 O HETATM 2647 O HOH 26 31.161 12.873 111.431 1.00 36.02 O HETATM 2648 O HOH 27 22.354 4.810 100.466 1.00 47.81 O HETATM 2649 O HOH 28 16.240 -9.358 115.331 1.00 36.89 O HETATM 2650 O HOH 29 28.180 -1.750 111.833 1.00 33.36 O HETATM 2651 O HOH 30 44.152 -4.455 98.465 1.00 55.13 O HETATM 2652 O HOH 31 14.566 6.832 96.067 1.00 42.33 O HETATM 2653 O HOH 32 25.511 10.434 126.856 1.00 43.42 O HETATM 2654 O HOH 33 24.351 -9.067 112.490 1.00 36.71 O HETATM 2655 O HOH 34 19.874 2.866 100.608 1.00 44.81 O HETATM 2656 O HOH 35 18.460 -26.271 106.269 1.00 39.87 O HETATM 2657 O HOH 36 7.314 11.937 94.949 1.00 50.34 O HETATM 2658 O HOH 37 14.983 -2.193 126.342 1.00 54.59 O HETATM 2659 O HOH 38 26.392 4.397 114.624 1.00 28.70 O HETATM 2660 O HOH 39 24.618 25.150 110.684 1.00 40.91 O HETATM 2661 O HOH 40 33.323 10.061 128.191 1.00 55.25 O HETATM 2662 O HOH 41 23.950 1.264 121.088 1.00 33.85 O HETATM 2663 O HOH 42 27.772 -1.920 108.090 1.00 28.01 O HETATM 2664 O HOH 43 24.270 -30.900 103.167 1.00 42.90 O HETATM 2665 O HOH 44 24.223 9.010 124.745 1.00 37.55 O HETATM 2666 O HOH 45 10.570 -6.819 114.089 1.00 29.45 O HETATM 2667 O HOH 46 7.438 -6.399 108.501 1.00 47.59 O HETATM 2668 O HOH 47 19.630 -23.354 100.338 1.00 49.92 O HETATM 2669 O HOH 48 8.309 2.396 118.444 1.00 43.93 O HETATM 2670 O HOH 49 24.476 20.394 103.511 1.00 59.58 O HETATM 2671 O HOH 50 29.481 20.449 120.868 1.00 48.53 O HETATM 2672 O HOH 51 28.687 13.781 111.439 1.00 28.40 O HETATM 2673 O HOH 52 21.927 6.729 104.885 1.00 25.08 O HETATM 2674 O HOH 53 13.393 2.254 99.644 1.00 38.74 O HETATM 2675 O HOH 54 12.715 0.274 123.269 1.00 43.35 O HETATM 2676 O HOH 55 21.110 -22.972 112.160 1.00 49.73 O HETATM 2677 O HOH 56 20.234 0.633 101.886 1.00 38.18 O HETATM 2678 O HOH 57 5.167 7.524 111.430 1.00 43.37 O HETATM 2679 O HOH 58 26.167 17.944 112.230 1.00 31.67 O HETATM 2680 O HOH 59 49.937 -4.875 98.817 1.00 52.18 O HETATM 2681 O HOH 60 7.104 17.469 105.894 1.00 52.02 O HETATM 2682 O HOH 61 14.836 -3.325 95.899 1.00 51.90 O HETATM 2683 O HOH 62 21.402 5.203 125.165 1.00 42.01 O HETATM 2684 O HOH 63 16.734 -25.051 114.213 1.00 59.24 O HETATM 2685 O HOH 64 29.106 6.902 115.557 1.00 31.18 O HETATM 2686 O HOH 65 29.199 5.598 113.418 1.00 32.78 O HETATM 2687 O HOH 66 9.199 23.125 118.176 1.00 47.93 O HETATM 2688 O HOH 67 34.862 4.201 125.006 1.00 48.98 O HETATM 2689 O HOH 68 13.696 -8.223 116.303 1.00 31.54 O HETATM 2690 O HOH 69 23.792 6.577 102.611 1.00 37.18 O HETATM 2691 O HOH 70 20.545 -16.112 117.465 1.00 51.57 O HETATM 2692 O HOH 71 48.983 -3.566 100.557 1.00 34.18 O HETATM 2693 O HOH 72 8.592 2.085 98.073 1.00 51.03 O HETATM 2694 O HOH 73 28.709 -5.652 115.078 1.00 59.55 O HETATM 2695 O HOH 74 28.736 -3.933 120.663 1.00 37.18 O HETATM 2696 O HOH 75 8.544 3.413 113.218 1.00 32.24 O HETATM 2697 O HOH 76 33.455 12.754 123.860 1.00 53.65 O HETATM 2698 O HOH 77 29.519 -3.082 123.661 1.00 51.96 O HETATM 2699 O HOH 78 14.878 -11.942 115.379 1.00 37.73 O HETATM 2700 O HOH 79 14.002 8.952 129.349 1.00 44.87 O HETATM 2701 O HOH 80 26.239 -20.064 99.527 1.00 44.18 O HETATM 2702 O HOH 81 29.842 19.271 124.113 1.00 52.91 O HETATM 2703 O HOH 82 9.004 -4.605 121.000 1.00 47.99 O HETATM 2704 O HOH 83 9.320 25.805 114.738 1.00 54.52 O HETATM 2705 O HOH 84 19.252 4.435 126.591 1.00 44.89 O HETATM 2706 O HOH 85 11.907 5.815 126.886 1.00 49.65 O HETATM 2707 O HOH 86 27.967 1.990 125.368 1.00 48.77 O HETATM 2708 O HOH 87 0.256 -26.095 108.421 1.00 59.42 O HETATM 2709 O HOH 88 34.056 -0.190 113.073 1.00 49.38 O HETATM 2710 O HOH 89 2.154 17.143 111.562 1.00 49.14 O HETATM 2711 O HOH 90 3.828 -5.246 106.815 1.00 57.81 O HETATM 2712 O HOH 91 16.060 -0.780 99.622 1.00 46.95 O HETATM 2713 O HOH 92 14.152 -4.070 93.430 1.00 57.44 O HETATM 2714 O HOH 93 1.111 4.539 108.719 1.00 49.38 O HETATM 2715 O HOH 94 9.538 5.550 92.652 1.00 56.43 O HETATM 2716 O HOH 95 3.132 18.835 108.801 1.00 46.77 O HETATM 2717 O HOH 96 27.001 25.444 112.671 1.00 50.24 O HETATM 2718 O HOH 97 12.115 24.821 120.913 1.00 64.43 O HETATM 2719 O HOH 98 11.869 3.449 97.935 1.00 50.47 O HETATM 2720 O HOH 99 3.500 -18.926 96.752 1.00 73.14 O HETATM 2721 O HOH 100 5.611 -4.647 112.450 1.00 50.94 O HETATM 2722 O HOH 101 -5.151 -19.084 106.491 1.00 58.00 O HETATM 2723 O HOH 102 32.302 -0.042 111.583 1.00 58.21 O HETATM 2724 O HOH 103 3.723 -3.218 111.496 1.00 47.72 O HETATM 2725 O HOH 104 16.083 -17.530 114.901 1.00 59.63 O HETATM 2726 O HOH 105 11.771 -24.531 109.584 1.00 57.84 O HETATM 2727 O HOH 106 15.263 14.937 98.616 1.00 54.07 O HETATM 2728 O HOH 107 27.420 5.080 126.056 1.00 44.94 O HETATM 2729 O HOH 108 7.300 -21.322 100.645 1.00 47.74 O HETATM 2730 O HOH 109 29.356 -3.561 115.538 1.00 49.12 O HETATM 2731 O HOH 110 7.033 2.286 115.450 1.00 36.51 O HETATM 2732 O HOH 111 10.927 -5.709 123.312 1.00 57.07 O HETATM 2733 O HOH 112 13.549 4.442 95.336 1.00 53.75 O HETATM 2734 O HOH 113 23.973 6.410 125.061 1.00 41.78 O HETATM 2735 O HOH 114 27.730 21.522 120.083 1.00 53.84 O HETATM 2736 O HOH 115 23.365 9.450 101.676 1.00 48.10 O HETATM 2737 O HOH 116 22.094 26.605 112.041 1.00 60.63 O HETATM 2738 O HOH 117 3.092 9.265 114.647 1.00 59.43 O HETATM 2739 O HOH 118 12.742 -12.499 117.056 1.00 58.38 O HETATM 2740 O HOH 119 24.168 15.790 96.987 1.00 56.98 O HETATM 2741 O HOH 120 25.579 -18.464 115.080 1.00 61.17 O HETATM 2742 O HOH 121 8.885 -8.389 118.646 1.00 58.44 O HETATM 2743 O HOH 122 3.183 -25.216 109.017 1.00 73.90 O HETATM 2744 O HOH 123 20.547 -15.662 120.740 1.00 56.84 O HETATM 2745 O HOH 124 16.906 19.496 102.256 1.00 52.69 O HETATM 2746 O HOH 125 12.210 -14.813 120.351 1.00 54.64 O HETATM 2747 O HOH 126 13.097 -1.582 124.965 1.00 50.11 O HETATM 2748 O HOH 127 3.657 -1.119 100.329 1.00 60.63 O HETATM 2749 O HOH 128 2.535 8.539 112.473 1.00 53.85 O HETATM 2750 O HOH 129 40.747 10.337 124.496 1.00 69.15 O HETATM 2751 O HOH 130 17.124 -16.976 89.962 1.00 60.36 O HETATM 2752 O HOH 131 20.271 -19.994 122.858 1.00 54.43 O HETATM 2753 C1 UNN A 132 15.184 -4.989 99.978 1.00 0.13 C HETATM 2754 C2 UNN A 132 13.828 -4.768 100.159 1.00 0.13 C HETATM 2755 C3 UNN A 132 13.168 -5.176 101.312 1.00 -0.02 C HETATM 2756 C4 UNN A 132 13.920 -5.826 102.292 1.00 0.02 C HETATM 2757 C5 UNN A 132 15.296 -6.046 102.129 1.00 0.03 C HETATM 2758 C6 UNN A 132 15.947 -5.635 100.957 1.00 -0.02 C HETATM 2759 H2 UNN A 132 17.007 -5.812 100.814 1.00 0.05 H HETATM 2760 C10 UNN A 132 16.027 -6.690 103.144 1.00 0.13 C HETATM 2761 C9 UNN A 132 15.364 -7.108 104.299 1.00 -0.01 C HETATM 2762 C8 UNN A 132 13.991 -6.868 104.417 1.00 -0.01 C HETATM 2763 N7 UNN A 132 13.279 -6.221 103.397 1.00 -0.33 N HETATM 2764 H3 UNN A 132 13.469 -7.187 105.312 1.00 0.08 H HETATM 2765 H4 UNN A 132 15.905 -7.611 105.092 1.00 0.05 H HETATM 2766 O14 UNN A 132 17.374 -6.897 102.918 1.00 -0.25 O HETATM 2767 C15 UNN A 132 18.143 -7.098 104.054 1.00 0.14 C HETATM 2768 C16 UNN A 132 18.461 -6.089 104.945 1.00 -0.04 C HETATM 2769 C17 UNN A 132 19.216 -6.358 106.080 1.00 -0.05 C HETATM 2770 C18 UNN A 132 19.703 -7.644 106.354 1.00 0.06 C HETATM 2771 C19 UNN A 132 19.381 -8.669 105.445 1.00 -0.01 C HETATM 2772 C20 UNN A 132 18.611 -8.388 104.300 1.00 0.15 C HETATM 2773 F21 UNN A 132 18.277 -9.356 103.405 1.00 -0.19 F HETATM 2774 H10 UNN A 132 19.727 -9.680 105.627 1.00 0.05 H HETATM 2775 N22 UNN A 132 20.423 -7.770 107.496 1.00 -0.24 N HETATM 2776 C32 UNN A 132 21.353 -8.737 107.698 1.00 0.23 C HETATM 2777 C33 UNN A 132 22.047 -8.732 109.070 1.00 0.14 C HETATM 2778 C34 UNN A 132 21.538 -7.676 110.084 1.00 0.23 C HETATM 2779 N35 UNN A 132 22.098 -7.766 111.322 1.00 -0.24 N HETATM 2780 C38 UNN A 132 21.739 -6.894 112.286 1.00 0.06 C HETATM 2781 C39 UNN A 132 20.404 -6.584 112.538 1.00 -0.04 C HETATM 2782 C40 UNN A 132 20.033 -5.678 113.523 1.00 -0.04 C HETATM 2783 C41 UNN A 132 21.016 -5.091 114.291 1.00 0.12 C HETATM 2784 C42 UNN A 132 22.354 -5.413 114.069 1.00 -0.04 C HETATM 2785 C43 UNN A 132 22.722 -6.309 113.074 1.00 -0.04 C HETATM 2786 H31 UNN A 132 23.767 -6.550 112.914 1.00 0.05 H HETATM 2787 H30 UNN A 132 23.121 -4.956 114.684 1.00 0.06 H HETATM 2788 F44 UNN A 132 20.638 -4.178 115.282 1.00 -0.20 F HETATM 2789 H29 UNN A 132 18.989 -5.437 113.685 1.00 0.06 H HETATM 2790 H28 UNN A 132 19.632 -7.064 111.948 1.00 0.05 H HETATM 2791 H27 UNN A 132 22.774 -8.477 111.516 1.00 0.23 H HETATM 2792 O37 UNN A 132 20.680 -6.833 109.764 1.00 -0.34 O HETATM 2793 C45 UNN A 132 23.539 -9.145 109.076 1.00 -0.03 C HETATM 2794 C46 UNN A 132 22.472 -10.098 109.633 1.00 -0.03 C HETATM 2795 H34 UNN A 132 22.220 -11.019 109.087 1.00 0.02 H HETATM 2796 H35 UNN A 132 22.416 -10.287 110.715 1.00 0.02 H HETATM 2797 H32 UNN A 132 24.245 -8.649 109.759 1.00 0.02 H HETATM 2798 H33 UNN A 132 24.049 -9.382 108.130 1.00 0.02 H HETATM 2799 O36 UNN A 132 21.696 -9.569 106.863 1.00 -0.34 O HETATM 2800 H11 UNN A 132 20.259 -7.113 108.231 1.00 0.22 H HETATM 2801 H9 UNN A 132 19.434 -5.553 106.772 1.00 0.05 H HETATM 2802 H8 UNN A 132 18.118 -5.078 104.756 1.00 0.05 H HETATM 2803 H1 UNN A 132 12.107 -4.996 101.445 1.00 0.05 H HETATM 2804 O13 UNN A 132 13.215 -4.125 99.130 1.00 -0.32 O HETATM 2805 C23 UNN A 132 11.785 -3.973 99.270 1.00 0.08 C HETATM 2806 C24 UNN A 132 11.288 -3.405 97.936 1.00 0.02 C HETATM 2807 C25 UNN A 132 11.734 -1.936 97.875 1.00 -0.03 C HETATM 2808 N26 UNN A 132 11.250 -1.264 96.660 1.00 0.24 N HETATM 2809 C27 UNN A 132 12.137 -1.534 95.518 1.00 -0.01 C HETATM 2810 C28 UNN A 132 11.640 -0.785 94.280 1.00 0.09 C HETATM 2811 O29 UNN A 132 11.623 0.627 94.558 1.00 -0.37 O HETATM 2812 C30 UNN A 132 10.705 0.900 95.629 1.00 0.09 C HETATM 2813 C31 UNN A 132 11.182 0.185 96.893 1.00 -0.01 C HETATM 2814 H25 UNN A 132 12.181 0.557 97.166 1.00 0.08 H HETATM 2815 H26 UNN A 132 10.478 0.389 97.713 1.00 0.08 H HETATM 2816 H23 UNN A 132 9.703 0.537 95.357 1.00 0.06 H HETATM 2817 H24 UNN A 132 10.665 1.984 95.812 1.00 0.06 H HETATM 2818 H21 UNN A 132 10.624 -1.123 94.028 1.00 0.06 H HETATM 2819 H22 UNN A 132 12.313 -0.985 93.433 1.00 0.06 H HETATM 2820 H19 UNN A 132 12.146 -2.614 95.311 1.00 0.08 H HETATM 2821 H20 UNN A 132 13.156 -1.199 95.761 1.00 0.08 H HETATM 2822 H18 UNN A 132 10.327 -1.608 96.444 1.00 0.20 H HETATM 2823 H16 UNN A 132 12.833 -1.898 97.888 1.00 0.08 H HETATM 2824 H17 UNN A 132 11.338 -1.408 98.755 1.00 0.08 H HETATM 2825 H14 UNN A 132 10.191 -3.469 97.884 1.00 0.03 H HETATM 2826 H15 UNN A 132 11.728 -3.968 97.099 1.00 0.03 H HETATM 2827 H12 UNN A 132 11.553 -3.279 100.091 1.00 0.06 H HETATM 2828 H13 UNN A 132 11.315 -4.947 99.469 1.00 0.06 H HETATM 2829 O11 UNN A 132 15.665 -4.534 98.792 1.00 -0.32 O HETATM 2830 C12 UNN A 132 17.046 -4.779 98.501 1.00 0.06 C HETATM 2831 H5 UNN A 132 17.293 -4.358 97.515 1.00 0.06 H HETATM 2832 H6 UNN A 132 17.233 -5.863 98.494 1.00 0.06 H HETATM 2833 H7 UNN A 132 17.673 -4.304 99.270 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 274 275 286 287 288 CONECT 286 274 CONECT 287 274 CONECT 288 274 CONECT 2753 2754 2758 2829 CONECT 2754 2753 2755 2804 CONECT 2755 2754 2756 2803 CONECT 2756 2755 2757 2763 CONECT 2757 2756 2758 2760 CONECT 2758 2753 2757 2759 CONECT 2759 2758 CONECT 2760 2757 2761 2766 CONECT 2761 2760 2762 2765 CONECT 2762 2761 2763 2764 CONECT 2763 2756 2762 CONECT 2764 2762 CONECT 2765 2761 CONECT 2766 2760 2767 CONECT 2767 2766 2768 2772 CONECT 2768 2767 2769 2802 CONECT 2769 2768 2770 2801 CONECT 2770 2769 2771 2775 CONECT 2771 2770 2772 2774 CONECT 2772 2767 2771 2773 CONECT 2773 2772 CONECT 2774 2771 CONECT 2775 2770 2776 2800 CONECT 2776 2775 2777 2799 CONECT 2777 2776 2778 2793 2794 CONECT 2778 2777 2779 2792 CONECT 2779 2778 2780 2791 CONECT 2780 2779 2781 2785 CONECT 2781 2780 2782 2790 CONECT 2782 2781 2783 2789 CONECT 2783 2782 2784 2788 CONECT 2784 2783 2785 2787 CONECT 2785 2780 2784 2786 CONECT 2786 2785 CONECT 2787 2784 CONECT 2788 2783 CONECT 2789 2782 CONECT 2790 2781 CONECT 2791 2779 CONECT 2792 2778 CONECT 2793 2777 2794 2797 2798 CONECT 2794 2777 2793 2795 2796 CONECT 2795 2794 CONECT 2796 2794 CONECT 2797 2793 CONECT 2798 2793 CONECT 2799 2776 CONECT 2800 2775 CONECT 2801 2769 CONECT 2802 2768 CONECT 2803 2755 CONECT 2804 2754 2805 CONECT 2805 2804 2806 2827 2828 CONECT 2806 2805 2807 2825 2826 CONECT 2807 2806 2808 2823 2824 CONECT 2808 2807 2809 2813 2822 CONECT 2809 2808 2810 2820 2821 CONECT 2810 2809 2811 2818 2819 CONECT 2811 2810 2812 CONECT 2812 2811 2813 2816 2817 CONECT 2813 2808 2812 2814 2815 CONECT 2814 2813 CONECT 2815 2813 CONECT 2816 2812 CONECT 2817 2812 CONECT 2818 2810 CONECT 2819 2810 CONECT 2820 2809 CONECT 2821 2809 CONECT 2822 2808 CONECT 2823 2807 CONECT 2824 2807 CONECT 2825 2806 CONECT 2826 2806 CONECT 2827 2805 CONECT 2828 2805 CONECT 2829 2753 2830 CONECT 2830 2829 2831 2832 2833 CONECT 2831 2830 CONECT 2832 2830 CONECT 2833 2830 MASTER 0 0 0 0 0 0 0 0 2831 2 89 22 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5ia4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i9x
RCSB PDB
PDBbind
306aa, >5I9X_1|Chain... *
5i9y
RCSB PDB
PDBbind
306aa, >5I9Y_1|Chain... at 100%
5i9z
RCSB PDB
PDBbind
306aa, >5I9Z_1|Chain... at 100%
5ia0
RCSB PDB
PDBbind
306aa, >5IA0_1|Chains... at 100%
5ia1
RCSB PDB
PDBbind
306aa, >5IA1_1|Chain... at 100%
5ia2
RCSB PDB
PDBbind
306aa, >5IA2_1|Chain... at 100%
5ia3
RCSB PDB
PDBbind
306aa, >5IA3_1|Chain... at 100%
5ia5
RCSB PDB
PDBbind
306aa, >5IA5_1|Chain... at 100%
5njz
RCSB PDB
PDBbind
306aa, >5NJZ_1|Chain... at 100%
5nk2
RCSB PDB
PDBbind
306aa, >5NK2_1|Chain... at 100%
5nk3
RCSB PDB
PDBbind
306aa, >5NK3_1|Chain... at 100%
5nk4
RCSB PDB
PDBbind
306aa, >5NK4_1|Chain... at 100%
5nk6
RCSB PDB
PDBbind
306aa, >5NK6_1|Chain... at 100%
5nk7
RCSB PDB
PDBbind
306aa, >5NK7_1|Chain... at 100%
5nk8
RCSB PDB
PDBbind
306aa, >5NK8_1|Chain... at 100%
5nk9
RCSB PDB
PDBbind
306aa, >5NK9_1|Chain... at 100%
5nka
RCSB PDB
PDBbind
306aa, >5NKA_1|Chain... at 100%
5nkb
RCSB PDB
PDBbind
306aa, >5NKB_1|Chain... at 100%
5nkc
RCSB PDB
PDBbind
306aa, >5NKC_1|Chain... at 100%
5nkd
RCSB PDB
PDBbind
306aa, >5NKD_1|Chain... at 100%
5nkg
RCSB PDB
PDBbind
306aa, >5NKG_1|Chain... at 100%
5nkh
RCSB PDB
PDBbind
306aa, >5NKH_1|Chain... at 100%
5nki
RCSB PDB
PDBbind
306aa, >5NKI_1|Chain... at 100%
6fnf
RCSB PDB
PDBbind
306aa, >6FNF_1|Chain... at 100%
6fng
RCSB PDB
PDBbind
306aa, >6FNG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3lq8
RCSB PDB
PDBbind
88Z
6sd9
RCSB PDB
PDBbind
88Z
6sdc
RCSB PDB
PDBbind
88Z
Entry Information
PDB ID
5ia4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ephrin A2 (EphA2) Receptor Protein Kinase
Ligand Name
88Z
EC.Number
E.C.2.7.10.1
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=52nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) ACS Chem. Biol. Vol. 11: pp. 3400-3411
Ligand Properties
Formula
C
3
4
H
3
5
F
2
N
4
O
6
Molecular Weight
633.662
Exact Mass
633.252
No. of atoms
81
No. of bonds
86
Polar Surface Area
112.45
LOGP Value
5.51 (
Computed with XLOGP3
)
6.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 6
Canonical SMILES
COc1cc2c(ccnc2cc1OCCC[NH+]1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
InChI String
InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)/p+1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P29317
Entrez Gene ID
NCBI Entrez Gene ID:
1969
ASD
Information of known allosteric effects of PDB entries
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