Browse entries in the PDBbind-CN Database
HEADER 5NKA_COMPLEX COMPND 5NKA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 THR THR GLU ILE HIS PRO SER CYS VAL THR ARG GLN LYS SEQRES 2 A 155 VAL ILE GLY ALA GLY GLU PHE GLY GLU VAL TYR LYS GLY SEQRES 3 A 155 MET LEU LYS THR SER SER GLY LYS LYS GLU VAL PRO VAL SEQRES 4 A 155 ALA ILE LYS THR LEU LYS ALA GLY TYR THR GLU LYS GLN SEQRES 5 A 155 ARG VAL ASP PHE LEU GLY GLU ALA GLY ILE MET GLY GLN SEQRES 6 A 155 PHE SER HIS HIS ASN ILE ILE ARG LEU GLU GLY VAL ILE SEQRES 7 A 155 SER LYS TYR LYS PRO MET MET ILE ILE THR GLU TYR MET SEQRES 8 A 155 GLU ASN GLY ALA LEU ASP LYS PHE LEU ARG GLU LYS ASP SEQRES 9 A 155 GLY GLU PHE SER VAL LEU GLN LEU VAL GLY MET LEU ARG SEQRES 10 A 155 GLY ILE ALA ALA GLY MET LYS TYR LEU ALA ASN MET ASN SEQRES 11 A 155 TYR VAL HIS ARG ASP LEU ALA ALA ARG ASN ILE LEU VAL SEQRES 12 A 155 ASN SER ASN LEU VAL CYS LYS VAL SER ASP PHE GLY SEQRES 1 A 111 LYS ILE PRO ILE ARG TRP THR ALA PRO GLU ALA ILE SER SEQRES 2 A 111 TYR ARG LYS PHE THR SER ALA SER ASP VAL TRP SER PHE SEQRES 3 A 111 GLY ILE VAL MET TRP GLU VAL MET THR TYR GLY GLU ARG SEQRES 4 A 111 PRO TYR TRP GLU LEU SER ASN HIS GLU VAL MET LYS ALA SEQRES 5 A 111 ILE ASN ASP GLY PHE ARG LEU PRO THR PRO MET ASP CYS SEQRES 6 A 111 PRO SER ALA ILE TYR GLN LEU MET MET GLN CYS TRP GLN SEQRES 7 A 111 GLN GLU ARG ALA ARG ARG PRO LYS PHE ALA ASP ILE VAL SEQRES 8 A 111 SER ILE LEU ASP LYS LEU ILE ARG ALA PRO ASP SER LEU SEQRES 9 A 111 LYS THR LEU ALA ASP PHE ASP SEQRES 1 A 5 VAL SER ILE ARG LEU HET UNN A 499 59 ATOM 1 N THR A 605 115.550 22.118 10.358 1.00 51.17 N ATOM 2 CA THR A 605 114.166 22.466 10.006 1.00 50.30 C ATOM 3 C THR A 605 114.118 23.692 9.092 1.00 44.25 C ATOM 4 O THR A 605 114.547 24.784 9.473 1.00 44.50 O ATOM 5 CB THR A 605 113.276 22.715 11.248 1.00 53.07 C ATOM 6 OG1 THR A 605 113.213 21.527 12.053 1.00 72.14 O ATOM 7 CG2 THR A 605 111.863 23.092 10.828 1.00 44.19 C ATOM 8 HG1 THR A 605 112.642 21.696 12.844 1.00 0.00 H ATOM 9 HN3 THR A 605 115.992 22.919 10.853 1.00 0.00 H ATOM 10 HN2 THR A 605 116.084 21.907 9.491 1.00 0.00 H ATOM 11 HN1 THR A 605 115.549 21.283 10.978 1.00 0.00 H ATOM 12 N THR A 606 113.594 23.494 7.884 1.00 32.06 N ATOM 13 CA THR A 606 113.545 24.550 6.889 1.00 27.59 C ATOM 14 C THR A 606 112.500 25.584 7.288 1.00 25.18 C ATOM 15 O THR A 606 111.361 25.235 7.583 1.00 26.23 O ATOM 16 CB THR A 606 113.169 23.933 5.545 1.00 34.63 C ATOM 17 OG1 THR A 606 114.172 22.979 5.184 1.00 52.29 O ATOM 18 CG2 THR A 606 113.042 24.991 4.453 1.00 38.74 C ATOM 19 HG1 THR A 606 113.939 22.571 4.313 1.00 0.00 H ATOM 20 H THR A 606 113.209 22.557 7.647 1.00 0.00 H ATOM 21 N GLU A 607 112.910 26.851 7.341 1.00 26.65 N ATOM 22 CA GLU A 607 111.990 27.971 7.496 1.00 23.65 C ATOM 23 C GLU A 607 111.440 28.289 6.114 1.00 23.25 C ATOM 24 O GLU A 607 112.201 28.495 5.161 1.00 27.99 O ATOM 25 CB GLU A 607 112.757 29.171 8.062 1.00 25.36 C ATOM 26 CG GLU A 607 111.884 30.396 8.275 1.00 24.28 C ATOM 27 CD GLU A 607 110.955 30.307 9.457 1.00 24.29 C ATOM 28 OE1 GLU A 607 111.194 29.492 10.397 1.00 27.52 O ATOM 29 OE2 GLU A 607 109.973 31.076 9.461 1.00 26.78 O ATOM 30 H GLU A 607 113.928 27.049 7.269 1.00 0.00 H ATOM 31 N ILE A 608 110.140 28.286 5.991 1.00 19.69 N ATOM 32 CA ILE A 608 109.469 28.510 4.719 1.00 19.93 C ATOM 33 C ILE A 608 108.963 29.947 4.667 1.00 20.21 C ATOM 34 O ILE A 608 108.379 30.436 5.637 1.00 22.16 O ATOM 35 CB ILE A 608 108.301 27.516 4.570 1.00 20.04 C ATOM 36 CG1 ILE A 608 108.832 26.080 4.421 1.00 22.13 C ATOM 37 CG2 ILE A 608 107.423 27.911 3.335 1.00 20.87 C ATOM 38 CD1 ILE A 608 107.770 25.020 4.346 1.00 23.30 C ATOM 39 H ILE A 608 109.560 28.116 6.837 1.00 0.00 H ATOM 40 N HIS A 609 109.182 30.624 3.531 1.00 24.54 N ATOM 41 CA HIS A 609 108.643 31.972 3.403 1.00 24.92 C ATOM 42 C HIS A 609 107.144 31.944 3.099 1.00 20.53 C ATOM 43 O HIS A 609 106.701 31.141 2.271 1.00 20.14 O ATOM 44 CB HIS A 609 109.369 32.708 2.280 1.00 25.74 C ATOM 45 CG HIS A 609 109.105 34.177 2.293 1.00 30.34 C ATOM 46 ND1 HIS A 609 108.078 34.747 1.581 1.00 32.24 N ATOM 47 CD2 HIS A 609 109.699 35.184 2.977 1.00 37.85 C ATOM 48 CE1 HIS A 609 108.069 36.054 1.796 1.00 37.67 C ATOM 49 NE2 HIS A 609 109.042 36.343 2.641 1.00 39.29 N ATOM 50 H HIS A 609 109.726 30.195 2.755 1.00 0.00 H ATOM 51 N PRO A 610 106.345 32.820 3.724 1.00 23.56 N ATOM 52 CA PRO A 610 104.887 32.773 3.521 1.00 23.52 C ATOM 53 C PRO A 610 104.434 32.963 2.089 1.00 20.85 C ATOM 54 O PRO A 610 103.350 32.470 1.741 1.00 21.65 O ATOM 55 CB PRO A 610 104.349 33.898 4.417 1.00 26.80 C ATOM 56 CG PRO A 610 105.432 34.170 5.404 1.00 28.33 C ATOM 57 CD PRO A 610 106.740 33.796 4.772 1.00 27.07 C ATOM 58 N SER A 611 105.236 33.625 1.248 1.00 22.59 N ATOM 59 CA SER A 611 104.870 33.746 -0.158 1.00 23.84 C ATOM 60 C SER A 611 104.864 32.411 -0.899 1.00 26.21 C ATOM 61 O SER A 611 104.372 32.341 -2.028 1.00 24.88 O ATOM 62 CB SER A 611 105.828 34.714 -0.846 1.00 24.39 C ATOM 63 OG SER A 611 107.099 34.122 -0.994 1.00 28.83 O ATOM 64 HG SER A 611 107.459 33.889 -0.102 1.00 0.00 H ATOM 65 H SER A 611 106.118 34.052 1.596 1.00 0.00 H ATOM 66 N CYS A 612 105.394 31.346 -0.298 1.00 21.18 N ATOM 67 CA CYS A 612 105.457 30.044 -0.946 1.00 21.00 C ATOM 68 C CYS A 612 104.313 29.133 -0.544 1.00 17.38 C ATOM 69 O CYS A 612 104.220 28.027 -1.091 1.00 20.32 O ATOM 70 CB CYS A 612 106.754 29.351 -0.589 1.00 21.36 C ATOM 71 SG CYS A 612 108.137 30.242 -1.336 1.00 30.59 S ATOM 72 H CYS A 612 105.775 31.448 0.664 1.00 0.00 H ATOM 73 N VAL A 613 103.394 29.597 0.293 1.00 18.72 N ATOM 74 CA VAL A 613 102.348 28.745 0.836 1.00 18.37 C ATOM 75 C VAL A 613 100.987 29.352 0.533 1.00 24.01 C ATOM 76 O VAL A 613 100.751 30.537 0.784 1.00 22.93 O ATOM 77 CB VAL A 613 102.520 28.655 2.363 1.00 19.93 C ATOM 78 CG1 VAL A 613 101.412 27.733 2.960 1.00 25.05 C ATOM 79 CG2 VAL A 613 103.888 28.169 2.718 1.00 21.73 C ATOM 80 H VAL A 613 103.423 30.599 0.569 1.00 0.00 H ATOM 81 N THR A 614 100.082 28.539 0.088 1.00 20.02 N ATOM 82 CA THR A 614 98.700 28.975 -0.046 1.00 21.08 C ATOM 83 C THR A 614 97.830 27.954 0.652 1.00 29.18 C ATOM 84 O THR A 614 98.155 26.758 0.667 1.00 25.43 O ATOM 85 CB THR A 614 98.302 29.105 -1.514 1.00 24.32 C ATOM 86 OG1 THR A 614 98.468 27.861 -2.186 1.00 29.38 O ATOM 87 CG2 THR A 614 99.152 30.158 -2.233 1.00 26.31 C ATOM 88 HG1 THR A 614 97.897 27.176 -1.756 1.00 0.00 H ATOM 89 H THR A 614 100.345 27.568 -0.175 1.00 0.00 H ATOM 90 N ARG A 615 96.741 28.439 1.236 1.00 29.84 N ATOM 91 CA ARG A 615 95.743 27.623 1.906 1.00 27.02 C ATOM 92 C ARG A 615 94.496 27.580 1.039 1.00 34.35 C ATOM 93 O ARG A 615 93.979 28.632 0.638 1.00 31.39 O ATOM 94 CB ARG A 615 95.409 28.208 3.283 1.00 25.20 C ATOM 95 CG ARG A 615 96.551 28.004 4.291 1.00 29.57 C ATOM 96 CD ARG A 615 96.245 28.572 5.651 1.00 33.98 C ATOM 97 NE ARG A 615 96.500 30.013 5.691 1.00 32.17 N ATOM 98 CZ ARG A 615 96.231 30.808 6.726 1.00 43.21 C ATOM 99 NH1 ARG A 615 95.669 30.331 7.838 1.00 37.74 N ATOM 100 NH2 ARG A 615 96.528 32.096 6.643 1.00 43.64 N ATOM 101 HE ARG A 615 96.923 30.450 4.847 1.00 0.00 H ATOM 102 HH12 ARG A 615 95.468 30.969 8.634 1.00 0.00 H ATOM 103 HH11 ARG A 615 95.432 29.321 7.909 1.00 0.00 H ATOM 104 HH22 ARG A 615 96.324 32.729 7.442 1.00 0.00 H ATOM 105 HH21 ARG A 615 96.965 32.474 5.778 1.00 0.00 H ATOM 106 H ARG A 615 96.593 29.468 1.212 1.00 0.00 H ATOM 107 N GLN A 616 94.006 26.376 0.760 1.00 29.28 N ATOM 108 CA GLN A 616 92.792 26.224 -0.038 1.00 32.71 C ATOM 109 C GLN A 616 91.568 25.781 0.741 1.00 37.79 C ATOM 110 O GLN A 616 90.456 26.210 0.423 1.00 37.07 O ATOM 111 CB GLN A 616 93.006 25.241 -1.183 1.00 32.76 C ATOM 112 CG GLN A 616 93.753 25.797 -2.330 1.00 44.43 C ATOM 113 CD GLN A 616 95.175 25.388 -2.274 1.00 45.99 C ATOM 114 OE1 GLN A 616 95.493 24.203 -2.419 1.00 36.79 O ATOM 115 NE2 GLN A 616 96.061 26.356 -2.033 1.00 49.73 N ATOM 116 HE22 GLN A 616 95.740 27.338 -1.919 1.00 0.00 H ATOM 117 HE21 GLN A 616 97.073 26.128 -1.959 1.00 0.00 H ATOM 118 H GLN A 616 94.495 25.529 1.115 1.00 0.00 H ATOM 119 N LYS A 617 91.703 24.899 1.723 1.00 29.97 N ATOM 120 CA LYS A 617 90.531 24.330 2.366 1.00 28.50 C ATOM 121 C LYS A 617 90.870 24.031 3.811 1.00 36.05 C ATOM 122 O LYS A 617 91.983 23.606 4.105 1.00 28.34 O ATOM 123 CB LYS A 617 90.107 23.029 1.676 1.00 33.24 C ATOM 124 CG LYS A 617 88.862 23.208 0.804 1.00 60.94 C ATOM 125 CD LYS A 617 88.274 21.891 0.358 1.00 64.17 C ATOM 126 CE LYS A 617 87.148 21.464 1.296 1.00 62.57 C ATOM 127 NZ LYS A 617 85.846 22.129 1.015 1.00 61.97 N ATOM 128 HZ1 LYS A 617 85.956 23.159 1.113 1.00 0.00 H ATOM 129 HZ2 LYS A 617 85.544 21.902 0.046 1.00 0.00 H ATOM 130 HZ3 LYS A 617 85.132 21.790 1.691 1.00 0.00 H ATOM 131 H LYS A 617 92.653 24.613 2.034 1.00 0.00 H ATOM 132 N VAL A 618 89.917 24.236 4.709 1.00 31.06 N ATOM 133 CA VAL A 618 90.094 23.814 6.095 1.00 27.11 C ATOM 134 C VAL A 618 89.862 22.310 6.168 1.00 38.66 C ATOM 135 O VAL A 618 88.873 21.801 5.632 1.00 38.70 O ATOM 136 CB VAL A 618 89.131 24.567 7.029 1.00 37.10 C ATOM 137 CG1 VAL A 618 89.368 24.171 8.467 1.00 35.97 C ATOM 138 CG2 VAL A 618 89.275 26.070 6.876 1.00 40.99 C ATOM 139 H VAL A 618 89.033 24.703 4.423 1.00 0.00 H ATOM 140 N ILE A 619 90.791 21.594 6.791 1.00 29.45 N ATOM 141 CA ILE A 619 90.618 20.175 7.092 1.00 29.38 C ATOM 142 C ILE A 619 89.946 19.992 8.440 1.00 32.08 C ATOM 143 O ILE A 619 88.967 19.253 8.571 1.00 42.29 O ATOM 144 CB ILE A 619 91.978 19.445 7.050 1.00 35.57 C ATOM 145 CG1 ILE A 619 92.540 19.348 5.636 1.00 37.53 C ATOM 146 CG2 ILE A 619 91.826 18.043 7.622 1.00 37.89 C ATOM 147 CD1 ILE A 619 93.973 18.759 5.616 1.00 27.79 C ATOM 148 H ILE A 619 91.675 22.061 7.075 1.00 0.00 H ATOM 149 N GLY A 620 90.437 20.682 9.461 1.00 29.91 N ATOM 150 CA GLY A 620 89.861 20.574 10.789 1.00 36.96 C ATOM 151 C GLY A 620 90.229 21.778 11.620 1.00 50.84 C ATOM 152 O GLY A 620 91.174 22.506 11.305 1.00 32.47 O ATOM 153 H GLY A 620 91.250 21.312 9.307 1.00 0.00 H ATOM 154 N ALA A 621 89.459 22.007 12.675 1.00 43.08 N ATOM 155 CA ALA A 621 89.691 23.176 13.509 1.00 45.03 C ATOM 156 C ALA A 621 89.774 22.772 14.971 1.00 53.55 C ATOM 157 O ALA A 621 89.150 21.797 15.404 1.00 48.56 O ATOM 158 CB ALA A 621 88.635 24.274 13.296 1.00 50.65 C ATOM 159 H ALA A 621 88.687 21.349 12.907 1.00 0.00 H ATOM 160 N GLY A 622 90.588 23.522 15.715 1.00 54.84 N ATOM 161 CA GLY A 622 90.673 23.391 17.155 1.00 55.16 C ATOM 162 C GLY A 622 90.602 24.761 17.807 1.00 51.38 C ATOM 163 O GLY A 622 90.510 25.789 17.128 1.00 48.64 O ATOM 164 H GLY A 622 91.186 24.229 15.242 1.00 0.00 H ATOM 165 N GLU A 623 90.634 24.750 19.142 1.00 56.05 N ATOM 166 CA GLU A 623 90.593 26.001 19.891 1.00 62.31 C ATOM 167 C GLU A 623 91.934 26.723 19.922 1.00 61.46 C ATOM 168 O GLU A 623 92.005 27.840 20.448 1.00 62.37 O ATOM 169 CB GLU A 623 90.066 25.778 21.313 1.00 66.13 C ATOM 170 CG GLU A 623 90.909 24.855 22.177 1.00 73.56 C ATOM 171 CD GLU A 623 90.383 24.764 23.597 1.00 87.25 C ATOM 172 OE1 GLU A 623 90.399 23.655 24.173 1.00 93.00 O ATOM 173 OE2 GLU A 623 89.947 25.803 24.136 1.00 81.27 O ATOM 174 H GLU A 623 90.688 23.844 19.650 1.00 0.00 H ATOM 175 N PHE A 624 92.982 26.080 19.433 1.00 61.05 N ATOM 176 CA PHE A 624 94.364 26.491 19.325 1.00 50.36 C ATOM 177 C PHE A 624 94.946 26.716 17.905 1.00 45.24 C ATOM 178 O PHE A 624 96.022 27.236 17.750 1.00 30.54 O ATOM 179 CB PHE A 624 95.165 25.399 19.969 1.00 60.71 C ATOM 180 CG PHE A 624 94.622 24.939 21.302 1.00 71.09 C ATOM 181 CD1 PHE A 624 94.407 25.838 22.316 1.00 70.28 C ATOM 182 CD2 PHE A 624 94.374 23.598 21.551 1.00 76.95 C ATOM 183 CE1 PHE A 624 93.938 25.427 23.562 1.00 74.27 C ATOM 184 CE2 PHE A 624 93.908 23.177 22.795 1.00 80.10 C ATOM 185 CZ PHE A 624 93.689 24.098 23.802 1.00 75.57 C ATOM 186 H PHE A 624 92.779 25.127 19.068 1.00 0.00 H ATOM 187 N GLY A 625 94.178 26.408 16.887 1.00 35.47 N ATOM 188 CA GLY A 625 94.668 26.481 15.523 1.00 31.04 C ATOM 189 C GLY A 625 93.793 25.641 14.616 1.00 25.81 C ATOM 190 O GLY A 625 92.803 25.048 15.040 1.00 24.95 O ATOM 191 H GLY A 625 93.198 26.105 17.061 1.00 0.00 H ATOM 192 N GLU A 626 94.161 25.618 13.338 1.00 21.69 N ATOM 193 CA GLU A 626 93.422 24.816 12.372 1.00 27.07 C ATOM 194 C GLU A 626 94.433 24.051 11.548 1.00 21.62 C ATOM 195 O GLU A 626 95.627 24.370 11.548 1.00 21.23 O ATOM 196 CB GLU A 626 92.614 25.696 11.405 1.00 29.47 C ATOM 197 CG GLU A 626 91.673 26.714 12.092 1.00 36.40 C ATOM 198 CD GLU A 626 92.389 27.972 12.531 1.00 46.90 C ATOM 199 OE1 GLU A 626 93.121 28.558 11.691 1.00 42.22 O ATOM 200 OE2 GLU A 626 92.231 28.362 13.717 1.00 42.15 O ATOM 201 H GLU A 626 94.981 26.176 13.026 1.00 0.00 H ATOM 202 N VAL A 627 93.922 23.066 10.812 1.00 22.46 N ATOM 203 CA VAL A 627 94.690 22.348 9.808 1.00 23.58 C ATOM 204 C VAL A 627 94.034 22.607 8.471 1.00 20.45 C ATOM 205 O VAL A 627 92.804 22.477 8.327 1.00 22.68 O ATOM 206 CB VAL A 627 94.771 20.836 10.104 1.00 26.74 C ATOM 207 CG1 VAL A 627 95.732 20.142 9.096 1.00 23.07 C ATOM 208 CG2 VAL A 627 95.225 20.599 11.537 1.00 30.68 C ATOM 209 H VAL A 627 92.928 22.798 10.962 1.00 0.00 H ATOM 210 N TYR A 628 94.854 22.993 7.491 1.00 20.76 N ATOM 211 CA TYR A 628 94.421 23.277 6.133 1.00 19.40 C ATOM 212 C TYR A 628 95.082 22.333 5.146 1.00 20.97 C ATOM 213 O TYR A 628 96.199 21.870 5.377 1.00 20.23 O ATOM 214 CB TYR A 628 94.876 24.700 5.732 1.00 21.72 C ATOM 215 CG TYR A 628 94.317 25.762 6.675 1.00 21.09 C ATOM 216 CD1 TYR A 628 93.134 26.421 6.355 1.00 31.63 C ATOM 217 CD2 TYR A 628 94.927 26.072 7.868 1.00 25.01 C ATOM 218 CE1 TYR A 628 92.608 27.370 7.202 1.00 33.83 C ATOM 219 CE2 TYR A 628 94.411 27.036 8.727 1.00 26.36 C ATOM 220 CZ TYR A 628 93.248 27.684 8.384 1.00 31.78 C ATOM 221 OH TYR A 628 92.703 28.647 9.226 1.00 34.32 O ATOM 222 HH TYR A 628 92.495 28.237 10.103 1.00 0.00 H ATOM 223 H TYR A 628 95.865 23.097 7.713 1.00 0.00 H ATOM 224 N LYS A 629 94.453 22.192 3.992 1.00 18.08 N ATOM 225 CA LYS A 629 95.060 21.624 2.827 1.00 19.64 C ATOM 226 C LYS A 629 95.495 22.847 1.990 1.00 21.39 C ATOM 227 O LYS A 629 94.753 23.772 1.804 1.00 21.89 O ATOM 228 CB LYS A 629 94.092 20.778 2.012 1.00 23.12 C ATOM 229 CG LYS A 629 94.721 20.059 0.854 1.00 35.80 C ATOM 230 CD LYS A 629 94.596 20.785 -0.444 1.00 38.55 C ATOM 231 CE LYS A 629 95.451 20.131 -1.504 1.00 39.95 C ATOM 232 NZ LYS A 629 95.911 21.135 -2.445 1.00 40.32 N ATOM 233 HZ1 LYS A 629 95.090 21.590 -2.894 1.00 0.00 H ATOM 234 HZ2 LYS A 629 96.472 21.850 -1.940 1.00 0.00 H ATOM 235 HZ3 LYS A 629 96.499 20.682 -3.173 1.00 0.00 H ATOM 236 H LYS A 629 93.465 22.511 3.927 1.00 0.00 H ATOM 237 N GLY A 630 96.716 22.826 1.524 1.00 19.34 N ATOM 238 CA GLY A 630 97.192 23.902 0.671 1.00 21.18 C ATOM 239 C GLY A 630 98.246 23.432 -0.293 1.00 18.90 C ATOM 240 O GLY A 630 98.379 22.219 -0.595 1.00 18.58 O ATOM 241 H GLY A 630 97.349 22.037 1.764 1.00 0.00 H ATOM 242 N MET A 631 99.009 24.400 -0.837 1.00 17.73 N ATOM 243 CA MET A 631 100.082 24.120 -1.778 1.00 17.51 C ATOM 244 C MET A 631 101.339 24.829 -1.326 1.00 18.55 C ATOM 245 O MET A 631 101.273 25.925 -0.746 1.00 18.74 O ATOM 246 CB MET A 631 99.744 24.648 -3.212 1.00 22.36 C ATOM 247 CG MET A 631 98.501 23.997 -3.829 1.00 25.02 C ATOM 248 SD MET A 631 98.736 22.217 -4.160 1.00 28.89 S ATOM 249 CE MET A 631 100.106 22.256 -5.292 1.00 33.32 C ATOM 250 H MET A 631 98.823 25.389 -0.573 1.00 0.00 H ATOM 251 N LEU A 632 102.482 24.235 -1.660 1.00 17.06 N ATOM 252 CA LEU A 632 103.797 24.760 -1.298 1.00 18.83 C ATOM 253 C LEU A 632 104.641 24.846 -2.557 1.00 19.91 C ATOM 254 O LEU A 632 104.836 23.842 -3.255 1.00 22.25 O ATOM 255 CB LEU A 632 104.434 23.828 -0.243 1.00 18.51 C ATOM 256 CG LEU A 632 105.899 24.145 0.056 1.00 20.98 C ATOM 257 CD1 LEU A 632 106.084 25.499 0.792 1.00 23.80 C ATOM 258 CD2 LEU A 632 106.523 22.995 0.881 1.00 21.14 C ATOM 259 H LEU A 632 102.437 23.352 -2.207 1.00 0.00 H ATOM 260 N LYS A 633 105.160 26.045 -2.835 1.00 20.05 N ATOM 261 CA LYS A 633 106.101 26.244 -3.927 1.00 23.99 C ATOM 262 C LYS A 633 107.496 26.021 -3.362 1.00 28.32 C ATOM 263 O LYS A 633 107.851 26.607 -2.338 1.00 25.15 O ATOM 264 CB LYS A 633 105.944 27.675 -4.471 1.00 26.87 C ATOM 265 CG LYS A 633 107.029 28.105 -5.456 1.00 35.69 C ATOM 266 CD LYS A 633 106.680 29.425 -6.182 1.00 51.09 C ATOM 267 CE LYS A 633 106.486 30.603 -5.222 1.00 45.41 C ATOM 268 NZ LYS A 633 106.385 31.941 -5.944 1.00 42.22 N ATOM 269 HZ1 LYS A 633 107.258 32.110 -6.483 1.00 0.00 H ATOM 270 HZ2 LYS A 633 105.573 31.922 -6.594 1.00 0.00 H ATOM 271 HZ3 LYS A 633 106.255 32.701 -5.246 1.00 0.00 H ATOM 272 H LYS A 633 104.883 26.861 -2.253 1.00 0.00 H ATOM 273 N THR A 634 108.270 25.149 -4.015 1.00 30.01 N ATOM 274 CA THR A 634 109.562 24.671 -3.543 1.00 37.88 C ATOM 275 C THR A 634 110.575 24.782 -4.681 1.00 53.79 C ATOM 276 O THR A 634 110.238 25.149 -5.812 1.00 41.85 O ATOM 277 CB THR A 634 109.480 23.193 -3.112 1.00 50.89 C ATOM 278 OG1 THR A 634 109.331 22.361 -4.272 1.00 42.60 O ATOM 279 CG2 THR A 634 108.304 22.932 -2.200 1.00 38.17 C ATOM 280 HG1 THR A 634 110.110 22.487 -4.870 1.00 0.00 H ATOM 281 H THR A 634 107.925 24.785 -4.926 1.00 0.00 H ATOM 282 N SER A 635 111.826 24.430 -4.383 1.00 48.66 N ATOM 283 CA SER A 635 112.860 24.256 -5.403 1.00 53.09 C ATOM 284 C SER A 635 112.991 25.492 -6.289 1.00 54.18 C ATOM 285 O SER A 635 112.945 25.412 -7.519 1.00 61.51 O ATOM 286 CB SER A 635 112.602 23.000 -6.240 1.00 55.46 C ATOM 287 OG SER A 635 112.478 21.849 -5.419 1.00 63.45 O ATOM 288 HG SER A 635 111.721 21.972 -4.793 1.00 0.00 H ATOM 289 H SER A 635 112.077 24.273 -3.386 1.00 0.00 H ATOM 290 N SER A 636 113.117 26.657 -5.646 1.00 47.50 N ATOM 291 CA SER A 636 113.402 27.907 -6.351 1.00 58.75 C ATOM 292 C SER A 636 112.233 28.333 -7.237 1.00 64.28 C ATOM 293 O SER A 636 112.415 29.018 -8.250 1.00 62.64 O ATOM 294 CB SER A 636 114.690 27.806 -7.175 1.00 72.75 C ATOM 295 OG SER A 636 115.789 27.390 -6.377 1.00 70.72 O ATOM 296 HG SER A 636 116.602 27.336 -6.939 1.00 0.00 H ATOM 297 H SER A 636 113.009 26.676 -4.612 1.00 0.00 H ATOM 298 N GLY A 637 111.026 27.914 -6.873 1.00 47.72 N ATOM 299 CA GLY A 637 109.847 28.238 -7.642 1.00 53.62 C ATOM 300 C GLY A 637 109.540 27.300 -8.789 1.00 53.65 C ATOM 301 O GLY A 637 108.571 27.548 -9.521 1.00 38.87 O ATOM 302 H GLY A 637 110.928 27.338 -6.013 1.00 0.00 H ATOM 303 N LYS A 638 110.306 26.217 -8.961 1.00 51.85 N ATOM 304 CA LYS A 638 110.104 25.334 -10.107 1.00 48.28 C ATOM 305 C LYS A 638 109.196 24.144 -9.814 1.00 52.93 C ATOM 306 O LYS A 638 108.879 23.384 -10.741 1.00 46.30 O ATOM 307 CB LYS A 638 111.454 24.858 -10.661 1.00 56.78 C ATOM 308 CG LYS A 638 112.278 25.969 -11.315 1.00 55.27 C ATOM 309 CD LYS A 638 113.768 25.677 -11.244 1.00 49.49 C ATOM 310 CE LYS A 638 114.559 26.975 -11.226 1.00 66.00 C ATOM 311 NZ LYS A 638 115.600 27.013 -10.144 1.00 65.60 N ATOM 312 HZ1 LYS A 638 115.139 26.910 -9.217 1.00 0.00 H ATOM 313 HZ2 LYS A 638 116.274 26.234 -10.285 1.00 0.00 H ATOM 314 HZ3 LYS A 638 116.105 27.921 -10.183 1.00 0.00 H ATOM 315 H LYS A 638 111.054 26.001 -8.271 1.00 0.00 H ATOM 316 N LYS A 639 108.734 23.996 -8.572 1.00 39.65 N ATOM 317 CA LYS A 639 108.017 22.816 -8.106 1.00 34.55 C ATOM 318 C LYS A 639 106.889 23.281 -7.182 1.00 37.70 C ATOM 319 O LYS A 639 107.023 24.298 -6.506 1.00 35.33 O ATOM 320 CB LYS A 639 109.003 21.900 -7.353 1.00 43.31 C ATOM 321 CG LYS A 639 110.101 21.255 -8.184 1.00 62.48 C ATOM 322 CD LYS A 639 111.035 20.392 -7.351 1.00 76.91 C ATOM 323 CE LYS A 639 112.123 19.729 -8.205 1.00 75.49 C ATOM 324 NZ LYS A 639 113.044 18.900 -7.342 1.00 75.84 N ATOM 325 HZ1 LYS A 639 113.497 19.512 -6.633 1.00 0.00 H ATOM 326 HZ2 LYS A 639 112.494 18.160 -6.862 1.00 0.00 H ATOM 327 HZ3 LYS A 639 113.773 18.460 -7.939 1.00 0.00 H ATOM 328 H LYS A 639 108.895 24.769 -7.895 1.00 0.00 H ATOM 329 N GLU A 640 105.752 22.579 -7.207 1.00 29.00 N ATOM 330 CA GLU A 640 104.583 22.966 -6.411 1.00 29.61 C ATOM 331 C GLU A 640 103.975 21.678 -5.885 1.00 35.45 C ATOM 332 O GLU A 640 103.693 20.772 -6.672 1.00 36.84 O ATOM 333 CB GLU A 640 103.583 23.682 -7.316 1.00 28.66 C ATOM 334 CG GLU A 640 102.466 24.409 -6.624 1.00 48.61 C ATOM 335 CD GLU A 640 101.451 24.931 -7.627 1.00 69.55 C ATOM 336 OE1 GLU A 640 101.837 25.127 -8.802 1.00 66.91 O ATOM 337 OE2 GLU A 640 100.276 25.135 -7.250 1.00 75.97 O ATOM 338 H GLU A 640 105.695 21.733 -7.809 1.00 0.00 H ATOM 339 N VAL A 641 103.794 21.567 -4.570 1.00 24.36 N ATOM 340 CA VAL A 641 103.301 20.302 -4.016 1.00 27.33 C ATOM 341 C VAL A 641 102.152 20.506 -3.036 1.00 23.25 C ATOM 342 O VAL A 641 102.115 21.506 -2.304 1.00 21.48 O ATOM 343 CB VAL A 641 104.426 19.496 -3.351 1.00 26.47 C ATOM 344 CG1 VAL A 641 105.519 19.098 -4.371 1.00 33.31 C ATOM 345 CG2 VAL A 641 104.989 20.260 -2.176 1.00 27.58 C ATOM 346 H VAL A 641 104.000 22.370 -3.942 1.00 0.00 H ATOM 347 N PRO A 642 101.182 19.588 -2.992 1.00 26.44 N ATOM 348 CA PRO A 642 100.117 19.682 -1.987 1.00 22.12 C ATOM 349 C PRO A 642 100.693 19.422 -0.610 1.00 19.57 C ATOM 350 O PRO A 642 101.598 18.596 -0.449 1.00 20.79 O ATOM 351 CB PRO A 642 99.130 18.583 -2.399 1.00 24.33 C ATOM 352 CG PRO A 642 99.937 17.638 -3.236 1.00 31.03 C ATOM 353 CD PRO A 642 101.043 18.416 -3.880 1.00 32.92 C ATOM 354 N VAL A 643 100.177 20.163 0.377 1.00 16.29 N ATOM 355 CA VAL A 643 100.661 20.073 1.748 1.00 16.06 C ATOM 356 C VAL A 643 99.498 20.182 2.719 1.00 16.88 C ATOM 357 O VAL A 643 98.415 20.675 2.396 1.00 17.98 O ATOM 358 CB VAL A 643 101.704 21.187 2.070 1.00 15.84 C ATOM 359 CG1 VAL A 643 102.999 20.963 1.365 1.00 17.64 C ATOM 360 CG2 VAL A 643 101.099 22.588 1.737 1.00 17.37 C ATOM 361 H VAL A 643 99.405 20.825 0.158 1.00 0.00 H ATOM 362 N ALA A 644 99.722 19.681 3.922 1.00 15.56 N ATOM 363 CA ALA A 644 98.900 20.003 5.066 1.00 16.74 C ATOM 364 C ALA A 644 99.604 21.067 5.890 1.00 16.85 C ATOM 365 O ALA A 644 100.823 21.045 6.044 1.00 15.62 O ATOM 366 CB ALA A 644 98.609 18.765 5.921 1.00 17.51 C ATOM 367 H ALA A 644 100.522 19.029 4.050 1.00 0.00 H ATOM 368 N ILE A 645 98.821 22.003 6.409 1.00 16.75 N ATOM 369 CA ILE A 645 99.330 23.197 7.106 1.00 17.90 C ATOM 370 C ILE A 645 98.600 23.306 8.440 1.00 17.85 C ATOM 371 O ILE A 645 97.371 23.388 8.466 1.00 21.62 O ATOM 372 CB ILE A 645 99.068 24.439 6.233 1.00 17.54 C ATOM 373 CG1 ILE A 645 99.772 24.310 4.897 1.00 19.35 C ATOM 374 CG2 ILE A 645 99.498 25.752 7.010 1.00 17.92 C ATOM 375 CD1 ILE A 645 99.067 25.163 3.817 1.00 25.72 C ATOM 376 H ILE A 645 97.791 21.888 6.319 1.00 0.00 H ATOM 377 N LYS A 646 99.331 23.253 9.543 1.00 16.98 N ATOM 378 CA LYS A 646 98.741 23.421 10.860 1.00 17.18 C ATOM 379 C LYS A 646 99.194 24.751 11.436 1.00 18.84 C ATOM 380 O LYS A 646 100.390 25.073 11.385 1.00 18.12 O ATOM 381 CB LYS A 646 99.202 22.293 11.783 1.00 22.53 C ATOM 382 CG LYS A 646 98.559 22.310 13.198 1.00 27.01 C ATOM 383 CD LYS A 646 99.186 21.167 14.042 1.00 33.71 C ATOM 384 CE LYS A 646 98.737 21.210 15.492 1.00 52.75 C ATOM 385 NZ LYS A 646 99.485 20.227 16.340 1.00 51.99 N ATOM 386 HZ1 LYS A 646 99.324 19.266 15.978 1.00 0.00 H ATOM 387 HZ2 LYS A 646 100.501 20.446 16.307 1.00 0.00 H ATOM 388 HZ3 LYS A 646 99.147 20.290 17.322 1.00 0.00 H ATOM 389 H LYS A 646 100.355 23.087 9.464 1.00 0.00 H ATOM 390 N THR A 647 98.234 25.507 11.991 1.00 18.28 N ATOM 391 CA THR A 647 98.531 26.826 12.536 1.00 19.95 C ATOM 392 C THR A 647 98.469 26.845 14.049 1.00 23.05 C ATOM 393 O THR A 647 97.836 26.009 14.683 1.00 20.83 O ATOM 394 CB THR A 647 97.580 27.892 12.007 1.00 20.86 C ATOM 395 OG1 THR A 647 96.249 27.574 12.439 1.00 22.45 O ATOM 396 CG2 THR A 647 97.632 27.973 10.492 1.00 23.60 C ATOM 397 HG1 THR A 647 95.621 28.260 12.101 1.00 0.00 H ATOM 398 H THR A 647 97.260 25.145 12.033 1.00 0.00 H ATOM 399 N LEU A 648 99.112 27.847 14.631 1.00 21.74 N ATOM 400 CA LEU A 648 99.018 28.106 16.065 1.00 23.28 C ATOM 401 C LEU A 648 98.499 29.533 16.224 1.00 23.35 C ATOM 402 O LEU A 648 99.187 30.475 15.823 1.00 27.68 O ATOM 403 CB LEU A 648 100.392 27.963 16.697 1.00 22.28 C ATOM 404 CG LEU A 648 100.425 28.044 18.249 1.00 20.41 C ATOM 405 CD1 LEU A 648 99.512 26.950 18.882 1.00 26.96 C ATOM 406 CD2 LEU A 648 101.856 27.980 18.786 1.00 21.94 C ATOM 407 H LEU A 648 99.704 28.471 14.046 1.00 0.00 H ATOM 408 N LYS A 649 97.301 29.680 16.804 1.00 24.81 N ATOM 409 CA LYS A 649 96.634 30.987 16.887 1.00 30.66 C ATOM 410 C LYS A 649 97.283 31.936 17.891 1.00 26.59 C ATOM 411 O LYS A 649 97.906 31.527 18.863 1.00 24.65 O ATOM 412 CB LYS A 649 95.178 30.818 17.315 1.00 32.99 C ATOM 413 CG LYS A 649 94.363 32.112 17.366 1.00 56.46 C ATOM 414 CD LYS A 649 92.870 31.898 17.758 1.00 81.77 C ATOM 415 CE LYS A 649 92.034 33.197 17.838 1.00 60.12 C ATOM 416 NZ LYS A 649 90.594 33.019 18.214 1.00 60.20 N ATOM 417 HZ1 LYS A 649 90.126 32.412 17.511 1.00 0.00 H ATOM 418 HZ2 LYS A 649 90.534 32.574 19.152 1.00 0.00 H ATOM 419 HZ3 LYS A 649 90.126 33.947 18.239 1.00 0.00 H ATOM 420 H LYS A 649 96.829 28.846 17.207 1.00 0.00 H ATOM 421 N ALA A 650 97.073 33.233 17.665 1.00 27.59 N ATOM 422 CA ALA A 650 97.666 34.272 18.495 1.00 23.27 C ATOM 423 C ALA A 650 97.212 34.148 19.951 1.00 20.29 C ATOM 424 O ALA A 650 96.067 33.792 20.249 1.00 25.34 O ATOM 425 CB ALA A 650 97.284 35.648 17.945 1.00 29.85 C ATOM 426 H ALA A 650 96.465 33.512 16.869 1.00 0.00 H ATOM 427 N GLY A 651 98.136 34.436 20.860 1.00 19.15 N ATOM 428 CA GLY A 651 97.904 34.297 22.273 1.00 22.75 C ATOM 429 C GLY A 651 98.469 33.025 22.850 1.00 19.90 C ATOM 430 O GLY A 651 98.343 32.782 24.055 1.00 20.26 O ATOM 431 H GLY A 651 99.065 34.776 20.538 1.00 0.00 H ATOM 432 N TYR A 652 99.072 32.188 22.006 1.00 19.99 N ATOM 433 CA TYR A 652 99.626 30.954 22.513 1.00 19.55 C ATOM 434 C TYR A 652 100.650 31.218 23.611 1.00 18.93 C ATOM 435 O TYR A 652 101.347 32.254 23.631 1.00 17.87 O ATOM 436 CB TYR A 652 100.250 30.155 21.341 1.00 17.62 C ATOM 437 CG TYR A 652 101.355 30.879 20.593 1.00 16.40 C ATOM 438 CD1 TYR A 652 102.667 30.875 21.073 1.00 19.25 C ATOM 439 CD2 TYR A 652 101.099 31.520 19.359 1.00 19.51 C ATOM 440 CE1 TYR A 652 103.700 31.541 20.411 1.00 19.02 C ATOM 441 CE2 TYR A 652 102.112 32.193 18.675 1.00 21.60 C ATOM 442 CZ TYR A 652 103.400 32.181 19.178 1.00 22.29 C ATOM 443 OH TYR A 652 104.407 32.838 18.491 1.00 28.02 O ATOM 444 HH TYR A 652 105.261 32.734 18.981 1.00 0.00 H ATOM 445 H TYR A 652 99.143 32.420 20.995 1.00 0.00 H ATOM 446 N THR A 653 100.759 30.254 24.534 1.00 19.16 N ATOM 447 CA THR A 653 101.680 30.364 25.662 1.00 18.65 C ATOM 448 C THR A 653 103.054 29.845 25.262 1.00 22.27 C ATOM 449 O THR A 653 103.238 29.293 24.175 1.00 20.57 O ATOM 450 CB THR A 653 101.189 29.510 26.837 1.00 22.41 C ATOM 451 OG1 THR A 653 101.188 28.111 26.442 1.00 23.09 O ATOM 452 CG2 THR A 653 99.808 29.926 27.297 1.00 20.62 C ATOM 453 HG1 THR A 653 100.871 27.556 27.198 1.00 0.00 H ATOM 454 H THR A 653 100.170 29.401 24.445 1.00 0.00 H ATOM 455 N GLU A 654 104.042 30.059 26.136 1.00 24.15 N ATOM 456 CA GLU A 654 105.384 29.563 25.856 1.00 24.99 C ATOM 457 C GLU A 654 105.372 28.045 25.717 1.00 24.13 C ATOM 458 O GLU A 654 106.017 27.505 24.803 1.00 27.48 O ATOM 459 CB GLU A 654 106.326 29.999 26.978 1.00 28.01 C ATOM 460 CG GLU A 654 107.776 29.583 26.779 1.00 29.57 C ATOM 461 CD GLU A 654 108.707 30.152 27.855 1.00 50.80 C ATOM 462 OE1 GLU A 654 108.213 30.665 28.887 1.00 47.36 O ATOM 463 OE2 GLU A 654 109.933 30.060 27.675 1.00 48.05 O ATOM 464 H GLU A 654 103.853 30.580 27.016 1.00 0.00 H ATOM 465 N LYS A 655 104.632 27.361 26.597 1.00 23.50 N ATOM 466 CA LYS A 655 104.518 25.904 26.543 1.00 31.45 C ATOM 467 C LYS A 655 103.952 25.450 25.208 1.00 33.45 C ATOM 468 O LYS A 655 104.480 24.528 24.573 1.00 25.35 O ATOM 469 CB LYS A 655 103.644 25.410 27.688 1.00 32.62 C ATOM 470 CG LYS A 655 103.079 24.006 27.488 1.00 39.50 C ATOM 471 CD LYS A 655 102.056 23.678 28.563 1.00 47.84 C ATOM 472 CE LYS A 655 101.128 22.555 28.118 1.00 54.88 C ATOM 473 NZ LYS A 655 101.916 21.357 27.695 1.00 67.58 N ATOM 474 HZ1 LYS A 655 102.538 21.615 26.902 1.00 0.00 H ATOM 475 HZ2 LYS A 655 102.492 21.022 28.494 1.00 0.00 H ATOM 476 HZ3 LYS A 655 101.265 20.603 27.396 1.00 0.00 H ATOM 477 H LYS A 655 104.123 27.880 27.341 1.00 0.00 H ATOM 478 N GLN A 656 102.879 26.096 24.768 1.00 24.66 N ATOM 479 CA GLN A 656 102.269 25.775 23.484 1.00 22.33 C ATOM 480 C GLN A 656 103.251 25.983 22.355 1.00 24.41 C ATOM 481 O GLN A 656 103.283 25.180 21.411 1.00 24.82 O ATOM 482 CB GLN A 656 101.012 26.626 23.259 1.00 20.33 C ATOM 483 CG GLN A 656 99.805 26.141 24.030 1.00 24.55 C ATOM 484 CD GLN A 656 98.609 27.045 23.922 1.00 29.54 C ATOM 485 OE1 GLN A 656 98.735 28.263 23.956 1.00 24.69 O ATOM 486 NE2 GLN A 656 97.416 26.455 23.798 1.00 39.43 N ATOM 487 HE22 GLN A 656 97.349 25.417 23.773 1.00 0.00 H ATOM 488 HE21 GLN A 656 96.555 27.033 23.727 1.00 0.00 H ATOM 489 H GLN A 656 102.464 26.849 25.353 1.00 0.00 H ATOM 490 N ARG A 657 104.040 27.058 22.405 1.00 20.70 N ATOM 491 CA ARG A 657 104.998 27.298 21.333 1.00 21.69 C ATOM 492 C ARG A 657 106.075 26.224 21.338 1.00 28.68 C ATOM 493 O ARG A 657 106.472 25.710 20.276 1.00 26.08 O ATOM 494 CB ARG A 657 105.651 28.677 21.486 1.00 23.42 C ATOM 495 CG ARG A 657 106.724 28.983 20.433 1.00 21.51 C ATOM 496 CD ARG A 657 108.147 28.872 20.975 1.00 30.48 C ATOM 497 NE ARG A 657 108.389 29.868 22.020 1.00 31.43 N ATOM 498 CZ ARG A 657 109.431 29.854 22.841 1.00 47.36 C ATOM 499 NH1 ARG A 657 110.349 28.890 22.745 1.00 38.89 N ATOM 500 NH2 ARG A 657 109.544 30.797 23.768 1.00 35.95 N ATOM 501 HE ARG A 657 107.698 30.638 22.126 1.00 0.00 H ATOM 502 HH12 ARG A 657 111.164 28.882 23.390 1.00 0.00 H ATOM 503 HH11 ARG A 657 110.249 28.146 22.025 1.00 0.00 H ATOM 504 HH22 ARG A 657 110.357 30.794 24.416 1.00 0.00 H ATOM 505 HH21 ARG A 657 108.819 31.539 23.846 1.00 0.00 H ATOM 506 H ARG A 657 103.972 27.720 23.204 1.00 0.00 H ATOM 507 N VAL A 658 106.551 25.878 22.530 1.00 27.35 N ATOM 508 CA VAL A 658 107.607 24.870 22.652 1.00 32.87 C ATOM 509 C VAL A 658 107.110 23.532 22.117 1.00 32.68 C ATOM 510 O VAL A 658 107.812 22.835 21.366 1.00 30.29 O ATOM 511 CB VAL A 658 108.057 24.764 24.121 1.00 37.83 C ATOM 512 CG1 VAL A 658 108.844 23.479 24.360 1.00 48.58 C ATOM 513 CG2 VAL A 658 108.864 25.979 24.527 1.00 34.43 C ATOM 514 H VAL A 658 106.169 26.328 23.386 1.00 0.00 H ATOM 515 N ASP A 659 105.882 23.161 22.486 1.00 28.23 N ATOM 516 CA ASP A 659 105.306 21.912 22.000 1.00 30.35 C ATOM 517 C ASP A 659 105.079 21.949 20.494 1.00 36.65 C ATOM 518 O ASP A 659 105.399 20.988 19.785 1.00 31.29 O ATOM 519 CB ASP A 659 103.993 21.595 22.717 1.00 28.02 C ATOM 520 CG ASP A 659 104.190 21.384 24.208 1.00 44.07 C ATOM 521 OD1 ASP A 659 105.360 21.259 24.631 1.00 37.11 O ATOM 522 OD2 ASP A 659 103.184 21.333 24.936 1.00 42.57 O ATOM 523 H ASP A 659 105.331 23.768 23.126 1.00 0.00 H ATOM 524 N PHE A 660 104.476 23.032 19.993 1.00 22.41 N ATOM 525 CA PHE A 660 104.153 23.129 18.569 1.00 25.66 C ATOM 526 C PHE A 660 105.412 23.029 17.723 1.00 27.14 C ATOM 527 O PHE A 660 105.520 22.158 16.844 1.00 25.60 O ATOM 528 CB PHE A 660 103.452 24.482 18.360 1.00 22.54 C ATOM 529 CG PHE A 660 103.023 24.775 16.939 1.00 20.06 C ATOM 530 CD1 PHE A 660 101.824 24.272 16.435 1.00 25.22 C ATOM 531 CD2 PHE A 660 103.797 25.614 16.149 1.00 22.44 C ATOM 532 CE1 PHE A 660 101.430 24.569 15.125 1.00 23.76 C ATOM 533 CE2 PHE A 660 103.389 25.917 14.848 1.00 22.93 C ATOM 534 CZ PHE A 660 102.223 25.407 14.366 1.00 20.82 C ATOM 535 H PHE A 660 104.232 23.820 20.627 1.00 0.00 H ATOM 536 N LEU A 661 106.394 23.880 18.000 1.00 23.58 N ATOM 537 CA LEU A 661 107.650 23.877 17.253 1.00 26.80 C ATOM 538 C LEU A 661 108.458 22.621 17.550 1.00 31.99 C ATOM 539 O LEU A 661 109.190 22.132 16.675 1.00 28.81 O ATOM 540 CB LEU A 661 108.480 25.135 17.529 1.00 30.91 C ATOM 541 CG LEU A 661 107.847 26.434 17.010 1.00 28.40 C ATOM 542 CD1 LEU A 661 108.795 27.582 17.272 1.00 29.51 C ATOM 543 CD2 LEU A 661 107.536 26.296 15.529 1.00 30.43 C ATOM 544 H LEU A 661 106.265 24.567 18.770 1.00 0.00 H ATOM 545 N GLY A 662 108.272 22.066 18.746 1.00 28.13 N ATOM 546 CA GLY A 662 108.939 20.826 19.102 1.00 34.42 C ATOM 547 C GLY A 662 108.464 19.640 18.292 1.00 25.77 C ATOM 548 O GLY A 662 109.279 18.797 17.905 1.00 26.72 O ATOM 549 H GLY A 662 107.642 22.526 19.433 1.00 0.00 H ATOM 550 N GLU A 663 107.155 19.553 18.014 1.00 24.45 N ATOM 551 CA GLU A 663 106.657 18.491 17.134 1.00 26.32 C ATOM 552 C GLU A 663 107.325 18.556 15.771 1.00 27.40 C ATOM 553 O GLU A 663 107.762 17.530 15.243 1.00 24.61 O ATOM 554 CB GLU A 663 105.128 18.515 16.983 1.00 29.81 C ATOM 555 CG GLU A 663 104.586 17.184 16.375 1.00 40.28 C ATOM 556 CD GLU A 663 103.110 17.175 15.938 1.00 55.61 C ATOM 557 OE1 GLU A 663 102.404 18.200 16.055 1.00 44.31 O ATOM 558 OE2 GLU A 663 102.648 16.099 15.480 1.00 45.18 O ATOM 559 H GLU A 663 106.491 20.241 18.424 1.00 0.00 H ATOM 560 N ALA A 664 107.457 19.757 15.189 1.00 21.61 N ATOM 561 CA ALA A 664 108.112 19.848 13.890 1.00 19.79 C ATOM 562 C ALA A 664 109.586 19.507 13.997 1.00 20.28 C ATOM 563 O ALA A 664 110.155 18.888 13.087 1.00 21.23 O ATOM 564 CB ALA A 664 107.937 21.265 13.320 1.00 25.25 C ATOM 565 H ALA A 664 107.097 20.612 15.658 1.00 0.00 H ATOM 566 N GLY A 665 110.225 19.908 15.093 1.00 21.75 N ATOM 567 CA GLY A 665 111.632 19.589 15.277 1.00 22.45 C ATOM 568 C GLY A 665 111.893 18.093 15.324 1.00 21.53 C ATOM 569 O GLY A 665 112.819 17.600 14.656 1.00 25.16 O ATOM 570 H GLY A 665 109.717 20.451 15.820 1.00 0.00 H ATOM 571 N ILE A 666 111.015 17.359 16.006 1.00 22.49 N ATOM 572 CA ILE A 666 111.084 15.894 16.021 1.00 22.38 C ATOM 573 C ILE A 666 110.820 15.319 14.638 1.00 18.04 C ATOM 574 O ILE A 666 111.594 14.508 14.128 1.00 20.69 O ATOM 575 CB ILE A 666 110.087 15.340 17.046 1.00 25.34 C ATOM 576 CG1 ILE A 666 110.501 15.733 18.460 1.00 31.30 C ATOM 577 CG2 ILE A 666 109.983 13.804 16.918 1.00 26.16 C ATOM 578 CD1 ILE A 666 109.440 15.371 19.447 1.00 35.00 C ATOM 579 H ILE A 666 110.262 17.837 16.541 1.00 0.00 H ATOM 580 N MET A 667 109.715 15.726 14.008 1.00 19.13 N ATOM 581 CA MET A 667 109.395 15.223 12.676 1.00 21.09 C ATOM 582 C MET A 667 110.538 15.437 11.688 1.00 19.40 C ATOM 583 O MET A 667 110.811 14.575 10.845 1.00 19.42 O ATOM 584 CB MET A 667 108.149 15.940 12.173 1.00 21.06 C ATOM 585 CG MET A 667 106.885 15.631 12.958 1.00 21.12 C ATOM 586 SD MET A 667 105.487 16.305 12.017 1.00 38.31 S ATOM 587 CE MET A 667 106.118 16.123 10.308 1.00 6.89 C ATOM 588 H MET A 667 109.078 16.406 14.470 1.00 0.00 H ATOM 589 N GLY A 668 111.220 16.582 11.769 1.00 19.09 N ATOM 590 CA GLY A 668 112.311 16.886 10.865 1.00 20.30 C ATOM 591 C GLY A 668 113.566 16.046 11.061 1.00 18.41 C ATOM 592 O GLY A 668 114.459 16.104 10.214 1.00 22.61 O ATOM 593 H GLY A 668 110.961 17.274 12.501 1.00 0.00 H ATOM 594 N GLN A 669 113.648 15.276 12.148 1.00 19.78 N ATOM 595 CA GLN A 669 114.793 14.373 12.311 1.00 18.70 C ATOM 596 C GLN A 669 114.668 13.104 11.496 1.00 21.57 C ATOM 597 O GLN A 669 115.651 12.361 11.356 1.00 20.89 O ATOM 598 CB GLN A 669 114.919 13.988 13.776 1.00 21.40 C ATOM 599 CG GLN A 669 115.138 15.194 14.697 1.00 30.00 C ATOM 600 CD GLN A 669 116.162 16.195 14.180 1.00 40.70 C ATOM 601 OE1 GLN A 669 117.359 15.886 14.064 1.00 44.22 O ATOM 602 NE2 GLN A 669 115.694 17.417 13.864 1.00 33.50 N ATOM 603 HE22 GLN A 669 114.683 17.632 13.977 1.00 0.00 H ATOM 604 HE21 GLN A 669 116.344 18.146 13.507 1.00 0.00 H ATOM 605 H GLN A 669 112.905 15.316 12.875 1.00 0.00 H ATOM 606 N PHE A 670 113.519 12.833 10.927 1.00 17.03 N ATOM 607 CA PHE A 670 113.269 11.524 10.330 1.00 17.12 C ATOM 608 C PHE A 670 113.173 11.572 8.815 1.00 16.32 C ATOM 609 O PHE A 670 112.682 12.554 8.222 1.00 20.12 O ATOM 610 CB PHE A 670 111.941 10.969 10.872 1.00 15.66 C ATOM 611 CG PHE A 670 111.879 10.892 12.385 1.00 16.06 C ATOM 612 CD1 PHE A 670 112.975 10.481 13.128 1.00 17.94 C ATOM 613 CD2 PHE A 670 110.753 11.302 13.064 1.00 16.27 C ATOM 614 CE1 PHE A 670 112.912 10.424 14.493 1.00 17.57 C ATOM 615 CE2 PHE A 670 110.678 11.263 14.424 1.00 19.16 C ATOM 616 CZ PHE A 670 111.776 10.837 15.176 1.00 17.10 C ATOM 617 H PHE A 670 112.775 13.560 10.900 1.00 0.00 H ATOM 618 N SER A 671 113.607 10.490 8.157 1.00 15.36 N ATOM 619 CA SER A 671 113.456 10.370 6.709 1.00 14.94 C ATOM 620 C SER A 671 113.142 8.914 6.392 1.00 14.43 C ATOM 621 O SER A 671 114.049 8.109 6.142 1.00 15.66 O ATOM 622 CB SER A 671 114.737 10.802 6.016 1.00 18.26 C ATOM 623 OG SER A 671 114.542 10.700 4.638 1.00 18.79 O ATOM 624 HG SER A 671 114.328 9.762 4.405 1.00 0.00 H ATOM 625 H SER A 671 114.061 9.719 8.687 1.00 0.00 H ATOM 626 N HIS A 672 111.853 8.577 6.417 1.00 12.34 N ATOM 627 CA HIS A 672 111.451 7.197 6.217 1.00 13.71 C ATOM 628 C HIS A 672 110.114 7.186 5.489 1.00 12.64 C ATOM 629 O HIS A 672 109.237 8.048 5.736 1.00 13.15 O ATOM 630 CB HIS A 672 111.321 6.482 7.583 1.00 13.34 C ATOM 631 CG HIS A 672 111.149 4.995 7.445 1.00 12.20 C ATOM 632 ND1 HIS A 672 109.926 4.417 7.171 1.00 12.63 N ATOM 633 CD2 HIS A 672 112.030 3.965 7.571 1.00 14.93 C ATOM 634 CE1 HIS A 672 110.058 3.106 7.071 1.00 13.45 C ATOM 635 NE2 HIS A 672 111.332 2.802 7.333 1.00 15.77 N ATOM 636 H HIS A 672 111.131 9.307 6.581 1.00 0.00 H ATOM 637 N HIS A 673 109.970 6.208 4.598 1.00 13.76 N ATOM 638 CA HIS A 673 108.770 6.066 3.793 1.00 14.38 C ATOM 639 C HIS A 673 107.509 6.006 4.642 1.00 12.39 C ATOM 640 O HIS A 673 106.441 6.412 4.195 1.00 15.30 O ATOM 641 CB HIS A 673 108.936 4.739 3.031 1.00 18.73 C ATOM 642 CG HIS A 673 107.753 4.303 2.240 1.00 20.32 C ATOM 643 ND1 HIS A 673 107.294 4.983 1.131 1.00 21.76 N ATOM 644 CD2 HIS A 673 107.017 3.162 2.318 1.00 22.53 C ATOM 645 CE1 HIS A 673 106.259 4.328 0.618 1.00 22.37 C ATOM 646 NE2 HIS A 673 106.079 3.217 1.314 1.00 23.30 N ATOM 647 H HIS A 673 110.743 5.523 4.474 1.00 0.00 H ATOM 648 N ASN A 674 107.596 5.454 5.838 1.00 11.86 N ATOM 649 CA ASN A 674 106.431 5.240 6.690 1.00 10.54 C ATOM 650 C ASN A 674 106.329 6.221 7.831 1.00 9.79 C ATOM 651 O ASN A 674 105.657 5.928 8.863 1.00 11.13 O ATOM 652 CB ASN A 674 106.349 3.813 7.159 1.00 9.38 C ATOM 653 CG ASN A 674 106.215 2.856 6.001 1.00 11.21 C ATOM 654 OD1 ASN A 674 107.177 2.172 5.652 1.00 13.47 O ATOM 655 ND2 ASN A 674 105.043 2.758 5.443 1.00 12.25 N ATOM 656 HD22 ASN A 674 104.259 3.357 5.771 1.00 0.00 H ATOM 657 HD21 ASN A 674 104.891 2.081 4.669 1.00 0.00 H ATOM 658 H ASN A 674 108.531 5.160 6.186 1.00 0.00 H ATOM 659 N ILE A 675 106.973 7.376 7.708 1.00 11.69 N ATOM 660 CA ILE A 675 106.879 8.462 8.685 1.00 10.13 C ATOM 661 C ILE A 675 106.500 9.726 7.928 1.00 12.11 C ATOM 662 O ILE A 675 107.079 10.012 6.885 1.00 13.50 O ATOM 663 CB ILE A 675 108.237 8.671 9.398 1.00 13.33 C ATOM 664 CG1 ILE A 675 108.718 7.384 10.102 1.00 11.69 C ATOM 665 CG2 ILE A 675 108.154 9.878 10.357 1.00 13.70 C ATOM 666 CD1 ILE A 675 107.816 6.968 11.285 1.00 9.85 C ATOM 667 H ILE A 675 107.576 7.516 6.873 1.00 0.00 H ATOM 668 N ILE A 676 105.502 10.452 8.420 1.00 12.50 N ATOM 669 CA ILE A 676 105.082 11.660 7.713 1.00 12.61 C ATOM 670 C ILE A 676 106.263 12.611 7.501 1.00 14.12 C ATOM 671 O ILE A 676 107.058 12.858 8.412 1.00 15.14 O ATOM 672 CB ILE A 676 103.953 12.322 8.526 1.00 16.07 C ATOM 673 CG1 ILE A 676 103.369 13.481 7.732 1.00 28.23 C ATOM 674 CG2 ILE A 676 104.421 12.838 9.820 1.00 19.88 C ATOM 675 CD1 ILE A 676 102.422 12.999 6.728 1.00 31.93 C ATOM 676 H ILE A 676 105.025 10.164 9.298 1.00 0.00 H ATOM 677 N ARG A 677 106.321 13.161 6.309 1.00 14.74 N ATOM 678 CA ARG A 677 107.421 14.048 5.929 1.00 17.60 C ATOM 679 C ARG A 677 107.086 15.496 6.269 1.00 15.20 C ATOM 680 O ARG A 677 106.007 15.985 5.918 1.00 16.52 O ATOM 681 CB ARG A 677 107.637 13.930 4.426 1.00 20.46 C ATOM 682 CG ARG A 677 108.924 14.687 3.990 1.00 26.95 C ATOM 683 CD ARG A 677 109.230 14.528 2.516 1.00 25.95 C ATOM 684 NE ARG A 677 108.228 15.223 1.724 1.00 31.86 N ATOM 685 CZ ARG A 677 107.227 14.621 1.098 1.00 46.43 C ATOM 686 NH1 ARG A 677 106.343 15.343 0.419 1.00 44.84 N ATOM 687 NH2 ARG A 677 107.112 13.299 1.153 1.00 50.01 N ATOM 688 HE ARG A 677 108.301 16.257 1.644 1.00 0.00 H ATOM 689 HH12 ARG A 677 105.556 14.873 -0.073 1.00 0.00 H ATOM 690 HH11 ARG A 677 106.437 16.378 0.380 1.00 0.00 H ATOM 691 HH22 ARG A 677 106.327 12.824 0.663 1.00 0.00 H ATOM 692 HH21 ARG A 677 107.807 12.738 1.687 1.00 0.00 H ATOM 693 H ARG A 677 105.568 12.961 5.620 1.00 0.00 H ATOM 694 N LEU A 678 108.022 16.147 6.907 1.00 16.66 N ATOM 695 CA LEU A 678 107.960 17.578 7.209 1.00 16.25 C ATOM 696 C LEU A 678 108.540 18.352 6.044 1.00 16.30 C ATOM 697 O LEU A 678 109.674 18.099 5.625 1.00 17.58 O ATOM 698 CB LEU A 678 108.776 17.866 8.463 1.00 17.96 C ATOM 699 CG LEU A 678 108.876 19.349 8.850 1.00 17.47 C ATOM 700 CD1 LEU A 678 107.537 19.819 9.385 1.00 19.41 C ATOM 701 CD2 LEU A 678 109.944 19.587 9.890 1.00 21.05 C ATOM 702 H LEU A 678 108.861 15.617 7.219 1.00 0.00 H ATOM 703 N GLU A 679 107.761 19.305 5.537 1.00 15.66 N ATOM 704 CA GLU A 679 108.295 20.240 4.549 1.00 16.77 C ATOM 705 C GLU A 679 108.997 21.403 5.225 1.00 17.87 C ATOM 706 O GLU A 679 110.069 21.840 4.758 1.00 21.80 O ATOM 707 CB GLU A 679 107.177 20.722 3.621 1.00 19.56 C ATOM 708 CG GLU A 679 106.547 19.608 2.744 1.00 22.01 C ATOM 709 CD GLU A 679 107.543 19.139 1.653 1.00 32.75 C ATOM 710 OE1 GLU A 679 108.542 19.846 1.392 1.00 29.78 O ATOM 711 OE2 GLU A 679 107.311 18.076 1.049 1.00 51.43 O ATOM 712 H GLU A 679 106.771 19.384 5.845 1.00 0.00 H ATOM 713 N GLY A 680 108.443 21.910 6.313 1.00 16.87 N ATOM 714 CA GLY A 680 109.124 22.981 7.014 1.00 18.94 C ATOM 715 C GLY A 680 108.141 23.716 7.890 1.00 19.51 C ATOM 716 O GLY A 680 107.049 23.247 8.130 1.00 17.44 O ATOM 717 H GLY A 680 107.533 21.546 6.661 1.00 0.00 H ATOM 718 N VAL A 681 108.602 24.858 8.418 1.00 18.92 N ATOM 719 CA VAL A 681 107.801 25.624 9.362 1.00 18.60 C ATOM 720 C VAL A 681 107.814 27.084 8.959 1.00 18.71 C ATOM 721 O VAL A 681 108.741 27.556 8.298 1.00 17.18 O ATOM 722 CB VAL A 681 108.288 25.511 10.811 1.00 20.39 C ATOM 723 CG1 VAL A 681 108.262 24.060 11.262 1.00 23.97 C ATOM 724 CG2 VAL A 681 109.690 26.098 10.922 1.00 24.12 C ATOM 725 H VAL A 681 109.546 25.202 8.149 1.00 0.00 H ATOM 726 N ILE A 682 106.758 27.773 9.332 1.00 18.64 N ATOM 727 CA ILE A 682 106.766 29.242 9.337 1.00 20.63 C ATOM 728 C ILE A 682 106.741 29.658 10.800 1.00 17.70 C ATOM 729 O ILE A 682 105.737 29.495 11.494 1.00 19.70 O ATOM 730 CB ILE A 682 105.617 29.837 8.519 1.00 20.12 C ATOM 731 CG1 ILE A 682 105.739 29.353 7.072 1.00 18.57 C ATOM 732 CG2 ILE A 682 105.684 31.407 8.599 1.00 21.24 C ATOM 733 CD1 ILE A 682 104.749 30.021 6.121 1.00 27.19 C ATOM 734 H ILE A 682 105.899 27.267 9.630 1.00 0.00 H ATOM 735 N SER A 683 107.870 30.162 11.285 1.00 22.87 N ATOM 736 CA SER A 683 107.955 30.636 12.661 1.00 24.51 C ATOM 737 C SER A 683 108.204 32.135 12.761 1.00 27.20 C ATOM 738 O SER A 683 107.867 32.727 13.795 1.00 30.10 O ATOM 739 CB SER A 683 109.072 29.887 13.426 1.00 24.70 C ATOM 740 OG SER A 683 110.338 30.192 12.890 1.00 27.28 O ATOM 741 HG SER A 683 110.366 29.921 11.938 1.00 0.00 H ATOM 742 H SER A 683 108.708 30.220 10.672 1.00 0.00 H ATOM 743 N LYS A 684 108.781 32.755 11.722 1.00 23.54 N ATOM 744 CA LYS A 684 109.140 34.178 11.776 1.00 29.42 C ATOM 745 C LYS A 684 107.955 35.083 11.500 1.00 33.65 C ATOM 746 O LYS A 684 107.993 36.277 11.826 1.00 32.92 O ATOM 747 CB LYS A 684 110.228 34.470 10.743 1.00 31.61 C ATOM 748 CG LYS A 684 111.560 33.811 11.042 1.00 34.25 C ATOM 749 CD LYS A 684 112.584 34.136 9.944 1.00 65.09 C ATOM 750 CE LYS A 684 113.957 33.511 10.215 1.00 61.28 C ATOM 751 NZ LYS A 684 114.936 33.818 9.122 1.00 59.51 N ATOM 752 HZ1 LYS A 684 114.578 33.441 8.221 1.00 0.00 H ATOM 753 HZ2 LYS A 684 115.056 34.848 9.045 1.00 0.00 H ATOM 754 HZ3 LYS A 684 115.851 33.377 9.344 1.00 0.00 H ATOM 755 H LYS A 684 108.979 32.215 10.856 1.00 0.00 H ATOM 756 N TYR A 685 106.910 34.539 10.903 1.00 24.11 N ATOM 757 CA TYR A 685 105.671 35.246 10.626 1.00 21.48 C ATOM 758 C TYR A 685 104.533 34.552 11.350 1.00 24.87 C ATOM 759 O TYR A 685 104.616 33.359 11.658 1.00 23.35 O ATOM 760 CB TYR A 685 105.399 35.278 9.128 1.00 23.82 C ATOM 761 CG TYR A 685 106.525 35.946 8.370 1.00 26.48 C ATOM 762 CD1 TYR A 685 106.503 37.324 8.135 1.00 37.45 C ATOM 763 CD2 TYR A 685 107.607 35.216 7.881 1.00 20.85 C ATOM 764 CE1 TYR A 685 107.535 37.952 7.462 1.00 35.56 C ATOM 765 CE2 TYR A 685 108.643 35.844 7.196 1.00 34.20 C ATOM 766 CZ TYR A 685 108.588 37.208 6.985 1.00 38.13 C ATOM 767 OH TYR A 685 109.616 37.821 6.312 1.00 42.14 O ATOM 768 HH TYR A 685 110.462 37.680 6.806 1.00 0.00 H ATOM 769 H TYR A 685 106.978 33.543 10.613 1.00 0.00 H ATOM 770 N LYS A 686 103.487 35.313 11.661 1.00 22.88 N ATOM 771 CA LYS A 686 102.335 34.799 12.375 1.00 22.09 C ATOM 772 C LYS A 686 101.067 34.806 11.504 1.00 26.21 C ATOM 773 O LYS A 686 100.862 35.706 10.677 1.00 26.39 O ATOM 774 CB LYS A 686 102.062 35.605 13.655 1.00 27.07 C ATOM 775 CG LYS A 686 103.267 35.877 14.476 1.00 21.72 C ATOM 776 CD LYS A 686 103.958 34.575 14.929 1.00 21.92 C ATOM 777 CE LYS A 686 105.179 34.869 15.801 1.00 26.31 C ATOM 778 NZ LYS A 686 105.989 33.685 16.175 1.00 39.67 N ATOM 779 HZ1 LYS A 686 105.398 33.017 16.709 1.00 0.00 H ATOM 780 HZ2 LYS A 686 106.344 33.224 15.313 1.00 0.00 H ATOM 781 HZ3 LYS A 686 106.791 33.987 16.764 1.00 0.00 H ATOM 782 H LYS A 686 103.496 36.315 11.381 1.00 0.00 H ATOM 783 N PRO A 687 100.200 33.791 11.663 1.00 26.30 N ATOM 784 CA PRO A 687 100.308 32.672 12.611 1.00 25.50 C ATOM 785 C PRO A 687 101.378 31.721 12.174 1.00 19.96 C ATOM 786 O PRO A 687 101.643 31.565 11.011 1.00 23.86 O ATOM 787 CB PRO A 687 98.963 31.976 12.478 1.00 29.48 C ATOM 788 CG PRO A 687 98.584 32.202 11.061 1.00 28.29 C ATOM 789 CD PRO A 687 99.026 33.641 10.783 1.00 37.06 C ATOM 790 N MET A 688 102.023 31.120 13.162 1.00 21.19 N ATOM 791 CA MET A 688 103.045 30.129 12.845 1.00 20.95 C ATOM 792 C MET A 688 102.380 28.896 12.251 1.00 17.99 C ATOM 793 O MET A 688 101.206 28.622 12.518 1.00 20.24 O ATOM 794 CB MET A 688 103.801 29.738 14.106 1.00 23.17 C ATOM 795 CG MET A 688 104.671 30.885 14.602 1.00 26.64 C ATOM 796 SD MET A 688 105.859 30.389 15.848 1.00 26.31 S ATOM 797 CE MET A 688 104.858 29.483 16.989 1.00 24.35 C ATOM 798 H MET A 688 101.804 31.352 14.152 1.00 0.00 H ATOM 799 N MET A 689 103.159 28.167 11.422 1.00 18.06 N ATOM 800 CA MET A 689 102.635 27.033 10.670 1.00 17.69 C ATOM 801 C MET A 689 103.633 25.900 10.678 1.00 17.22 C ATOM 802 O MET A 689 104.831 26.118 10.605 1.00 17.94 O ATOM 803 CB MET A 689 102.443 27.427 9.208 1.00 21.03 C ATOM 804 CG MET A 689 101.386 28.491 9.029 1.00 22.18 C ATOM 805 SD MET A 689 101.199 28.843 7.284 1.00 25.72 S ATOM 806 CE MET A 689 99.625 29.658 7.400 1.00 34.27 C ATOM 807 H MET A 689 104.162 28.422 11.317 1.00 0.00 H ATOM 808 N ILE A 690 103.110 24.667 10.757 1.00 18.31 N ATOM 809 CA ILE A 690 103.879 23.479 10.414 1.00 17.39 C ATOM 810 C ILE A 690 103.319 22.940 9.110 1.00 15.34 C ATOM 811 O ILE A 690 102.088 22.816 8.972 1.00 17.23 O ATOM 812 CB ILE A 690 103.773 22.451 11.535 1.00 19.06 C ATOM 813 CG1 ILE A 690 104.373 23.042 12.815 1.00 20.10 C ATOM 814 CG2 ILE A 690 104.526 21.208 11.085 1.00 18.25 C ATOM 815 CD1 ILE A 690 104.051 22.223 14.014 1.00 24.08 C ATOM 816 H ILE A 690 102.125 24.556 11.073 1.00 0.00 H ATOM 817 N ILE A 691 104.204 22.584 8.190 1.00 16.52 N ATOM 818 CA ILE A 691 103.827 22.205 6.835 1.00 15.63 C ATOM 819 C ILE A 691 104.359 20.808 6.564 1.00 15.80 C ATOM 820 O ILE A 691 105.562 20.592 6.620 1.00 15.95 O ATOM 821 CB ILE A 691 104.336 23.220 5.797 1.00 16.22 C ATOM 822 CG1 ILE A 691 103.743 24.590 6.202 1.00 18.92 C ATOM 823 CG2 ILE A 691 103.818 22.882 4.398 1.00 17.76 C ATOM 824 CD1 ILE A 691 104.201 25.714 5.357 1.00 27.14 C ATOM 825 H ILE A 691 105.212 22.575 8.447 1.00 0.00 H ATOM 826 N THR A 692 103.446 19.873 6.300 1.00 17.13 N ATOM 827 CA THR A 692 103.829 18.494 6.020 1.00 16.76 C ATOM 828 C THR A 692 103.331 18.064 4.655 1.00 15.24 C ATOM 829 O THR A 692 102.480 18.722 4.056 1.00 14.50 O ATOM 830 CB THR A 692 103.257 17.525 7.056 1.00 15.54 C ATOM 831 OG1 THR A 692 101.849 17.391 6.899 1.00 16.71 O ATOM 832 CG2 THR A 692 103.623 17.943 8.480 1.00 17.24 C ATOM 833 HG1 THR A 692 101.651 17.044 5.993 1.00 0.00 H ATOM 834 H THR A 692 102.439 20.133 6.294 1.00 0.00 H ATOM 835 N GLU A 693 103.746 16.872 4.215 1.00 13.78 N ATOM 836 CA GLU A 693 103.059 16.280 3.091 1.00 15.76 C ATOM 837 C GLU A 693 101.582 16.071 3.403 1.00 16.35 C ATOM 838 O GLU A 693 101.176 15.988 4.562 1.00 16.05 O ATOM 839 CB GLU A 693 103.740 14.975 2.658 1.00 19.14 C ATOM 840 CG GLU A 693 103.471 13.848 3.583 1.00 20.03 C ATOM 841 CD GLU A 693 104.136 12.527 3.203 1.00 19.95 C ATOM 842 OE1 GLU A 693 104.006 12.010 2.071 1.00 27.64 O ATOM 843 OE2 GLU A 693 104.807 12.028 4.094 1.00 17.55 O ATOM 844 H GLU A 693 104.543 16.383 4.670 1.00 0.00 H ATOM 845 N TYR A 694 100.779 16.078 2.363 1.00 16.50 N ATOM 846 CA TYR A 694 99.338 15.929 2.483 1.00 15.69 C ATOM 847 C TYR A 694 98.966 14.459 2.248 1.00 15.93 C ATOM 848 O TYR A 694 99.285 13.887 1.202 1.00 19.29 O ATOM 849 CB TYR A 694 98.626 16.820 1.468 1.00 17.11 C ATOM 850 CG TYR A 694 97.159 16.640 1.524 1.00 17.95 C ATOM 851 CD1 TYR A 694 96.440 17.080 2.607 1.00 22.21 C ATOM 852 CD2 TYR A 694 96.479 16.036 0.484 1.00 17.83 C ATOM 853 CE1 TYR A 694 95.068 16.919 2.677 1.00 20.73 C ATOM 854 CE2 TYR A 694 95.129 15.872 0.539 1.00 20.38 C ATOM 855 CZ TYR A 694 94.446 16.307 1.635 1.00 21.03 C ATOM 856 OH TYR A 694 93.081 16.123 1.676 1.00 26.76 O ATOM 857 HH TYR A 694 92.878 15.156 1.619 1.00 0.00 H ATOM 858 H TYR A 694 101.191 16.195 1.415 1.00 0.00 H ATOM 859 N MET A 695 98.246 13.869 3.191 1.00 14.17 N ATOM 860 CA MET A 695 97.838 12.459 3.077 1.00 12.90 C ATOM 861 C MET A 695 96.370 12.418 2.730 1.00 14.42 C ATOM 862 O MET A 695 95.529 12.789 3.545 1.00 16.03 O ATOM 863 CB MET A 695 98.088 11.768 4.405 1.00 14.05 C ATOM 864 CG MET A 695 99.587 11.894 4.824 1.00 18.52 C ATOM 865 SD MET A 695 100.679 10.857 3.784 1.00 16.12 S ATOM 866 CE MET A 695 100.326 9.248 4.550 1.00 15.47 C ATOM 867 H MET A 695 97.963 14.414 4.030 1.00 0.00 H ATOM 868 N GLU A 696 96.074 11.957 1.507 1.00 15.30 N ATOM 869 CA GLU A 696 94.750 12.214 0.958 1.00 15.32 C ATOM 870 C GLU A 696 93.660 11.463 1.683 1.00 18.21 C ATOM 871 O GLU A 696 92.494 11.900 1.649 1.00 18.69 O ATOM 872 CB GLU A 696 94.756 11.763 -0.494 1.00 17.49 C ATOM 873 CG GLU A 696 95.696 12.596 -1.441 1.00 26.14 C ATOM 874 CD GLU A 696 97.176 12.132 -1.519 1.00 35.84 C ATOM 875 OE1 GLU A 696 97.690 11.327 -0.693 1.00 20.07 O ATOM 876 OE2 GLU A 696 97.853 12.593 -2.459 1.00 37.27 O ATOM 877 H GLU A 696 96.779 11.424 0.959 1.00 0.00 H ATOM 878 N ASN A 697 93.979 10.289 2.249 1.00 15.10 N ATOM 879 CA ASN A 697 92.951 9.481 2.906 1.00 15.23 C ATOM 880 C ASN A 697 92.836 9.669 4.402 1.00 15.34 C ATOM 881 O ASN A 697 92.023 8.975 5.032 1.00 17.16 O ATOM 882 CB ASN A 697 93.128 8.016 2.505 1.00 14.94 C ATOM 883 CG ASN A 697 92.633 7.767 1.110 1.00 17.22 C ATOM 884 OD1 ASN A 697 91.516 8.185 0.802 1.00 17.38 O ATOM 885 ND2 ASN A 697 93.432 7.146 0.265 1.00 18.34 N ATOM 886 HD22 ASN A 697 94.366 6.814 0.581 1.00 0.00 H ATOM 887 HD21 ASN A 697 93.129 6.988 -0.717 1.00 0.00 H ATOM 888 H ASN A 697 94.962 9.951 2.221 1.00 0.00 H ATOM 889 N GLY A 698 93.558 10.621 4.987 1.00 12.86 N ATOM 890 CA GLY A 698 93.338 10.968 6.368 1.00 12.98 C ATOM 891 C GLY A 698 93.723 9.867 7.329 1.00 12.41 C ATOM 892 O GLY A 698 94.636 9.038 7.078 1.00 12.03 O ATOM 893 H GLY A 698 94.289 11.120 4.441 1.00 0.00 H ATOM 894 N ALA A 699 93.053 9.886 8.472 1.00 13.22 N ATOM 895 CA ALA A 699 93.439 9.004 9.559 1.00 12.81 C ATOM 896 C ALA A 699 93.016 7.578 9.281 1.00 12.87 C ATOM 897 O ALA A 699 91.918 7.325 8.796 1.00 12.93 O ATOM 898 CB ALA A 699 92.817 9.451 10.875 1.00 14.69 C ATOM 899 H ALA A 699 92.249 10.534 8.591 1.00 0.00 H ATOM 900 N LEU A 700 93.872 6.629 9.653 1.00 11.12 N ATOM 901 CA LEU A 700 93.645 5.228 9.309 1.00 10.62 C ATOM 902 C LEU A 700 92.391 4.669 9.966 1.00 11.48 C ATOM 903 O LEU A 700 91.679 3.874 9.335 1.00 11.84 O ATOM 904 CB LEU A 700 94.883 4.403 9.737 1.00 11.24 C ATOM 905 CG LEU A 700 94.806 2.877 9.528 1.00 10.84 C ATOM 906 CD1 LEU A 700 94.581 2.539 8.065 1.00 12.65 C ATOM 907 CD2 LEU A 700 96.147 2.266 10.023 1.00 12.48 C ATOM 908 H LEU A 700 94.718 6.890 10.199 1.00 0.00 H ATOM 909 N ASP A 701 92.144 5.001 11.246 1.00 12.41 N ATOM 910 CA ASP A 701 90.955 4.433 11.919 1.00 12.36 C ATOM 911 C ASP A 701 89.682 4.848 11.207 1.00 11.33 C ATOM 912 O ASP A 701 88.854 3.983 10.852 1.00 13.99 O ATOM 913 CB ASP A 701 90.923 4.763 13.426 1.00 14.40 C ATOM 914 CG ASP A 701 90.848 6.241 13.712 1.00 18.22 C ATOM 915 OD1 ASP A 701 91.257 7.096 12.940 1.00 16.85 O ATOM 916 OD2 ASP A 701 90.305 6.630 14.799 1.00 24.15 O ATOM 917 H ASP A 701 92.780 5.648 11.755 1.00 0.00 H ATOM 918 N LYS A 702 89.563 6.118 10.882 1.00 12.14 N ATOM 919 CA LYS A 702 88.349 6.591 10.241 1.00 13.80 C ATOM 920 C LYS A 702 88.281 6.059 8.818 1.00 12.40 C ATOM 921 O LYS A 702 87.191 5.713 8.331 1.00 13.66 O ATOM 922 CB LYS A 702 88.345 8.118 10.263 1.00 14.43 C ATOM 923 CG LYS A 702 87.041 8.784 9.734 1.00 19.65 C ATOM 924 CD LYS A 702 87.048 10.275 10.121 1.00 24.31 C ATOM 925 CE LYS A 702 85.771 10.978 9.652 1.00 21.71 C ATOM 926 NZ LYS A 702 85.711 10.864 8.142 1.00 22.34 N ATOM 927 HZ1 LYS A 702 86.549 11.320 7.728 1.00 0.00 H ATOM 928 HZ2 LYS A 702 85.692 9.860 7.872 1.00 0.00 H ATOM 929 HZ3 LYS A 702 84.851 11.334 7.794 1.00 0.00 H ATOM 930 H LYS A 702 90.338 6.782 11.084 1.00 0.00 H ATOM 931 N PHE A 703 89.398 5.999 8.110 1.00 13.10 N ATOM 932 CA PHE A 703 89.445 5.449 6.775 1.00 11.74 C ATOM 933 C PHE A 703 88.946 4.010 6.754 1.00 15.56 C ATOM 934 O PHE A 703 88.100 3.658 5.918 1.00 14.17 O ATOM 935 CB PHE A 703 90.908 5.541 6.254 1.00 11.89 C ATOM 936 CG PHE A 703 91.115 5.032 4.852 1.00 13.57 C ATOM 937 CD1 PHE A 703 90.547 5.692 3.773 1.00 16.31 C ATOM 938 CD2 PHE A 703 91.913 3.922 4.604 1.00 16.17 C ATOM 939 CE1 PHE A 703 90.771 5.253 2.469 1.00 16.74 C ATOM 940 CE2 PHE A 703 92.157 3.483 3.295 1.00 16.30 C ATOM 941 CZ PHE A 703 91.550 4.170 2.243 1.00 14.93 C ATOM 942 H PHE A 703 90.277 6.362 8.532 1.00 0.00 H ATOM 943 N LEU A 704 89.426 3.164 7.663 1.00 12.26 N ATOM 944 CA LEU A 704 88.983 1.789 7.620 1.00 14.77 C ATOM 945 C LEU A 704 87.505 1.665 7.956 1.00 12.86 C ATOM 946 O LEU A 704 86.841 0.786 7.398 1.00 13.60 O ATOM 947 CB LEU A 704 89.792 0.951 8.574 1.00 14.05 C ATOM 948 CG LEU A 704 91.245 0.761 8.128 1.00 16.13 C ATOM 949 CD1 LEU A 704 91.943 0.033 9.230 1.00 21.58 C ATOM 950 CD2 LEU A 704 91.406 -0.004 6.780 1.00 20.38 C ATOM 951 H LEU A 704 90.102 3.484 8.385 1.00 0.00 H ATOM 952 N ARG A 705 87.007 2.476 8.884 1.00 11.46 N ATOM 953 CA ARG A 705 85.577 2.435 9.219 1.00 12.36 C ATOM 954 C ARG A 705 84.740 2.826 8.029 1.00 16.16 C ATOM 955 O ARG A 705 83.582 2.374 7.936 1.00 18.58 O ATOM 956 CB ARG A 705 85.305 3.368 10.378 1.00 12.32 C ATOM 957 CG ARG A 705 85.915 2.878 11.735 1.00 13.52 C ATOM 958 CD ARG A 705 85.865 3.960 12.774 1.00 14.63 C ATOM 959 NE ARG A 705 86.744 3.595 13.871 1.00 13.97 N ATOM 960 CZ ARG A 705 87.439 4.411 14.644 1.00 14.73 C ATOM 961 NH1 ARG A 705 88.249 3.919 15.559 1.00 15.69 N ATOM 962 NH2 ARG A 705 87.365 5.739 14.519 1.00 14.71 N ATOM 963 HE ARG A 705 86.837 2.579 14.070 1.00 0.00 H ATOM 964 HH12 ARG A 705 88.796 4.560 16.168 1.00 0.00 H ATOM 965 HH11 ARG A 705 88.341 2.889 15.673 1.00 0.00 H ATOM 966 HH22 ARG A 705 87.926 6.352 15.144 1.00 0.00 H ATOM 967 HH21 ARG A 705 86.746 6.160 13.796 1.00 0.00 H ATOM 968 H ARG A 705 87.634 3.144 9.376 1.00 0.00 H ATOM 969 N GLU A 706 85.258 3.677 7.121 1.00 13.54 N ATOM 970 CA GLU A 706 84.525 4.070 5.917 1.00 17.21 C ATOM 971 C GLU A 706 84.737 3.121 4.758 1.00 17.92 C ATOM 972 O GLU A 706 84.069 3.264 3.723 1.00 23.07 O ATOM 973 CB GLU A 706 84.935 5.517 5.554 1.00 19.86 C ATOM 974 CG GLU A 706 84.524 6.405 6.741 1.00 18.30 C ATOM 975 CD GLU A 706 84.858 7.873 6.687 1.00 21.12 C ATOM 976 OE1 GLU A 706 85.446 8.304 5.682 1.00 26.67 O ATOM 977 OE2 GLU A 706 84.530 8.581 7.675 1.00 22.41 O ATOM 978 H GLU A 706 86.209 4.067 7.281 1.00 0.00 H ATOM 979 N LYS A 707 85.606 2.140 4.890 1.00 15.29 N ATOM 980 CA LYS A 707 85.956 1.148 3.876 1.00 15.57 C ATOM 981 C LYS A 707 85.769 -0.269 4.404 1.00 15.87 C ATOM 982 O LYS A 707 86.487 -1.177 4.002 1.00 15.01 O ATOM 983 CB LYS A 707 87.402 1.283 3.389 1.00 20.49 C ATOM 984 CG LYS A 707 87.721 2.693 2.979 1.00 24.81 C ATOM 985 CD LYS A 707 87.287 2.907 1.533 1.00 34.18 C ATOM 986 CE LYS A 707 88.003 1.906 0.610 1.00 47.13 C ATOM 987 NZ LYS A 707 87.665 2.076 -0.847 1.00 62.53 N ATOM 988 HZ1 LYS A 707 86.642 1.945 -0.982 1.00 0.00 H ATOM 989 HZ2 LYS A 707 87.937 3.031 -1.156 1.00 0.00 H ATOM 990 HZ3 LYS A 707 88.183 1.369 -1.407 1.00 0.00 H ATOM 991 H LYS A 707 86.091 2.064 5.807 1.00 0.00 H ATOM 992 N ASP A 708 84.788 -0.448 5.294 1.00 14.27 N ATOM 993 CA ASP A 708 84.713 -1.700 6.054 1.00 14.90 C ATOM 994 C ASP A 708 84.578 -2.892 5.112 1.00 15.45 C ATOM 995 O ASP A 708 83.676 -2.921 4.266 1.00 17.41 O ATOM 996 CB ASP A 708 83.503 -1.597 6.975 1.00 15.48 C ATOM 997 CG ASP A 708 83.481 -2.681 8.028 1.00 17.77 C ATOM 998 OD1 ASP A 708 84.270 -3.640 8.027 1.00 20.60 O ATOM 999 OD2 ASP A 708 82.570 -2.565 8.870 1.00 26.53 O ATOM 1000 H ASP A 708 84.080 0.298 5.447 1.00 0.00 H ATOM 1001 N GLY A 709 85.452 -3.886 5.267 1.00 14.30 N ATOM 1002 CA GLY A 709 85.381 -5.096 4.476 1.00 16.10 C ATOM 1003 C GLY A 709 85.904 -4.979 3.052 1.00 20.09 C ATOM 1004 O GLY A 709 85.796 -5.959 2.301 1.00 20.73 O ATOM 1005 H GLY A 709 86.206 -3.790 5.976 1.00 0.00 H ATOM 1006 N GLU A 710 86.477 -3.840 2.657 1.00 15.14 N ATOM 1007 CA GLU A 710 86.781 -3.612 1.237 1.00 17.96 C ATOM 1008 C GLU A 710 88.202 -3.944 0.854 1.00 19.97 C ATOM 1009 O GLU A 710 88.479 -3.993 -0.339 1.00 18.48 O ATOM 1010 CB GLU A 710 86.508 -2.162 0.868 1.00 19.27 C ATOM 1011 CG GLU A 710 84.991 -1.849 0.937 1.00 20.57 C ATOM 1012 CD GLU A 710 84.643 -0.436 0.532 1.00 34.35 C ATOM 1013 OE1 GLU A 710 85.424 0.189 -0.214 1.00 35.08 O ATOM 1014 OE2 GLU A 710 83.568 0.043 0.963 1.00 38.07 O ATOM 1015 H GLU A 710 86.710 -3.109 3.359 1.00 0.00 H ATOM 1016 N PHE A 711 89.087 -4.256 1.793 1.00 14.99 N ATOM 1017 CA PHE A 711 90.465 -4.543 1.439 1.00 12.90 C ATOM 1018 C PHE A 711 90.739 -6.032 1.533 1.00 14.06 C ATOM 1019 O PHE A 711 89.993 -6.772 2.199 1.00 17.47 O ATOM 1020 CB PHE A 711 91.405 -3.769 2.390 1.00 14.67 C ATOM 1021 CG PHE A 711 91.348 -2.314 2.194 1.00 14.94 C ATOM 1022 CD1 PHE A 711 91.638 -1.762 0.939 1.00 19.72 C ATOM 1023 CD2 PHE A 711 90.950 -1.460 3.213 1.00 17.35 C ATOM 1024 CE1 PHE A 711 91.545 -0.412 0.728 1.00 24.85 C ATOM 1025 CE2 PHE A 711 90.904 -0.093 3.014 1.00 18.03 C ATOM 1026 CZ PHE A 711 91.176 0.439 1.749 1.00 19.92 C ATOM 1027 H PHE A 711 88.791 -4.295 2.789 1.00 0.00 H ATOM 1028 N SER A 712 91.786 -6.498 0.871 1.00 13.94 N ATOM 1029 CA SER A 712 92.184 -7.886 1.064 1.00 12.30 C ATOM 1030 C SER A 712 92.988 -8.054 2.363 1.00 15.82 C ATOM 1031 O SER A 712 93.569 -7.109 2.899 1.00 12.42 O ATOM 1032 CB SER A 712 93.032 -8.367 -0.105 1.00 15.92 C ATOM 1033 OG SER A 712 94.238 -7.659 -0.103 1.00 15.47 O ATOM 1034 HG SER A 712 94.714 -7.823 0.749 1.00 0.00 H ATOM 1035 H SER A 712 92.317 -5.882 0.222 1.00 0.00 H ATOM 1036 N VAL A 713 93.089 -9.310 2.795 1.00 13.53 N ATOM 1037 CA VAL A 713 93.991 -9.621 3.895 1.00 13.92 C ATOM 1038 C VAL A 713 95.378 -9.142 3.580 1.00 13.46 C ATOM 1039 O VAL A 713 96.058 -8.575 4.429 1.00 14.00 O ATOM 1040 CB VAL A 713 93.956 -11.128 4.189 1.00 16.75 C ATOM 1041 CG1 VAL A 713 95.064 -11.448 5.195 1.00 20.72 C ATOM 1042 CG2 VAL A 713 92.637 -11.489 4.798 1.00 21.85 C ATOM 1043 H VAL A 713 92.527 -10.064 2.350 1.00 0.00 H ATOM 1044 N LEU A 714 95.881 -9.372 2.356 1.00 12.98 N ATOM 1045 CA LEU A 714 97.232 -8.964 2.050 1.00 13.56 C ATOM 1046 C LEU A 714 97.378 -7.464 2.111 1.00 12.61 C ATOM 1047 O LEU A 714 98.409 -6.963 2.561 1.00 13.28 O ATOM 1048 CB LEU A 714 97.597 -9.392 0.615 1.00 15.88 C ATOM 1049 CG LEU A 714 98.254 -10.750 0.598 1.00 15.67 C ATOM 1050 CD1 LEU A 714 98.420 -11.170 -0.877 1.00 21.73 C ATOM 1051 CD2 LEU A 714 99.613 -10.776 1.319 1.00 18.40 C ATOM 1052 H LEU A 714 95.300 -9.842 1.632 1.00 0.00 H ATOM 1053 N GLN A 715 96.375 -6.716 1.687 1.00 11.79 N ATOM 1054 CA GLN A 715 96.452 -5.274 1.811 1.00 11.86 C ATOM 1055 C GLN A 715 96.534 -4.858 3.269 1.00 11.32 C ATOM 1056 O GLN A 715 97.330 -3.994 3.620 1.00 12.56 O ATOM 1057 CB GLN A 715 95.271 -4.585 1.136 1.00 11.52 C ATOM 1058 CG GLN A 715 95.342 -4.612 -0.417 1.00 11.90 C ATOM 1059 CD GLN A 715 94.126 -3.947 -0.972 1.00 13.59 C ATOM 1060 OE1 GLN A 715 92.988 -4.308 -0.675 1.00 13.93 O ATOM 1061 NE2 GLN A 715 94.359 -2.893 -1.786 1.00 15.60 N ATOM 1062 HE22 GLN A 715 95.336 -2.618 -2.014 1.00 0.00 H ATOM 1063 HE21 GLN A 715 93.562 -2.357 -2.184 1.00 0.00 H ATOM 1064 H GLN A 715 95.534 -7.160 1.266 1.00 0.00 H ATOM 1065 N LEU A 716 95.683 -5.421 4.131 1.00 11.26 N ATOM 1066 CA LEU A 716 95.713 -5.072 5.569 1.00 12.33 C ATOM 1067 C LEU A 716 97.050 -5.443 6.198 1.00 11.69 C ATOM 1068 O LEU A 716 97.650 -4.651 6.946 1.00 10.24 O ATOM 1069 CB LEU A 716 94.580 -5.821 6.272 1.00 11.37 C ATOM 1070 CG LEU A 716 93.173 -5.442 5.809 1.00 10.68 C ATOM 1071 CD1 LEU A 716 92.111 -6.310 6.545 1.00 14.89 C ATOM 1072 CD2 LEU A 716 92.946 -3.951 6.034 1.00 13.76 C ATOM 1073 H LEU A 716 94.989 -6.115 3.787 1.00 0.00 H ATOM 1074 N VAL A 717 97.592 -6.600 5.848 1.00 10.37 N ATOM 1075 CA VAL A 717 98.881 -6.994 6.398 1.00 10.42 C ATOM 1076 C VAL A 717 99.962 -6.077 5.884 1.00 12.46 C ATOM 1077 O VAL A 717 100.898 -5.765 6.600 1.00 11.63 O ATOM 1078 CB VAL A 717 99.132 -8.485 6.120 1.00 11.98 C ATOM 1079 CG1 VAL A 717 100.552 -8.874 6.530 1.00 14.18 C ATOM 1080 CG2 VAL A 717 98.134 -9.365 6.894 1.00 14.26 C ATOM 1081 H VAL A 717 97.097 -7.226 5.181 1.00 0.00 H ATOM 1082 N GLY A 718 99.877 -5.654 4.622 1.00 12.91 N ATOM 1083 CA GLY A 718 100.859 -4.708 4.101 1.00 12.38 C ATOM 1084 C GLY A 718 100.799 -3.354 4.782 1.00 10.70 C ATOM 1085 O GLY A 718 101.865 -2.719 4.994 1.00 12.58 O ATOM 1086 H GLY A 718 99.111 -5.998 4.009 1.00 0.00 H ATOM 1087 N MET A 719 99.608 -2.913 5.193 1.00 11.47 N ATOM 1088 CA MET A 719 99.512 -1.658 5.961 1.00 12.72 C ATOM 1089 C MET A 719 100.206 -1.815 7.299 1.00 13.70 C ATOM 1090 O MET A 719 100.977 -0.925 7.726 1.00 12.27 O ATOM 1091 CB MET A 719 98.057 -1.344 6.295 1.00 12.95 C ATOM 1092 CG MET A 719 97.285 -0.882 5.078 1.00 13.29 C ATOM 1093 SD MET A 719 95.505 -0.715 5.410 1.00 17.90 S ATOM 1094 CE MET A 719 94.822 -0.648 3.721 1.00 21.22 C ATOM 1095 H MET A 719 98.748 -3.454 4.972 1.00 0.00 H ATOM 1096 N LEU A 720 100.026 -2.971 7.941 1.00 11.10 N ATOM 1097 CA LEU A 720 100.691 -3.195 9.226 1.00 10.78 C ATOM 1098 C LEU A 720 102.184 -3.290 9.040 1.00 11.19 C ATOM 1099 O LEU A 720 102.924 -2.841 9.921 1.00 10.96 O ATOM 1100 CB LEU A 720 100.131 -4.485 9.823 1.00 11.02 C ATOM 1101 CG LEU A 720 98.680 -4.225 10.272 1.00 11.13 C ATOM 1102 CD1 LEU A 720 98.140 -5.590 10.665 1.00 15.58 C ATOM 1103 CD2 LEU A 720 98.650 -3.281 11.471 1.00 15.89 C ATOM 1104 H LEU A 720 99.417 -3.708 7.531 1.00 0.00 H ATOM 1105 N ARG A 721 102.659 -3.893 7.936 1.00 9.93 N ATOM 1106 CA ARG A 721 104.100 -3.940 7.708 1.00 10.36 C ATOM 1107 C ARG A 721 104.669 -2.532 7.561 1.00 10.13 C ATOM 1108 O ARG A 721 105.736 -2.230 8.150 1.00 11.26 O ATOM 1109 CB ARG A 721 104.388 -4.845 6.492 1.00 10.63 C ATOM 1110 CG ARG A 721 105.897 -5.120 6.301 1.00 12.75 C ATOM 1111 CD ARG A 721 106.647 -4.051 5.474 1.00 18.29 C ATOM 1112 NE ARG A 721 108.027 -4.584 5.289 1.00 17.15 N ATOM 1113 CZ ARG A 721 109.126 -3.834 5.170 1.00 18.01 C ATOM 1114 NH1 ARG A 721 109.078 -2.494 5.185 1.00 19.42 N ATOM 1115 NH2 ARG A 721 110.291 -4.468 5.026 1.00 18.20 N ATOM 1116 HE ARG A 721 108.143 -5.617 5.250 1.00 0.00 H ATOM 1117 HH12 ARG A 721 109.954 -1.941 5.090 1.00 0.00 H ATOM 1118 HH11 ARG A 721 108.165 -2.008 5.292 1.00 0.00 H ATOM 1119 HH22 ARG A 721 111.171 -3.923 4.930 1.00 0.00 H ATOM 1120 HH21 ARG A 721 110.319 -5.508 5.010 1.00 0.00 H ATOM 1121 H ARG A 721 102.005 -4.322 7.250 1.00 0.00 H ATOM 1122 N GLY A 722 103.984 -1.647 6.869 1.00 10.06 N ATOM 1123 CA GLY A 722 104.456 -0.282 6.761 1.00 11.06 C ATOM 1124 C GLY A 722 104.492 0.430 8.093 1.00 10.12 C ATOM 1125 O GLY A 722 105.481 1.099 8.420 1.00 10.62 O ATOM 1126 H GLY A 722 103.101 -1.929 6.398 1.00 0.00 H ATOM 1127 N ILE A 723 103.434 0.284 8.889 1.00 10.25 N ATOM 1128 CA ILE A 723 103.443 0.910 10.198 1.00 11.41 C ATOM 1129 C ILE A 723 104.580 0.355 11.051 1.00 9.99 C ATOM 1130 O ILE A 723 105.282 1.129 11.707 1.00 10.23 O ATOM 1131 CB ILE A 723 102.080 0.692 10.874 1.00 9.57 C ATOM 1132 CG1 ILE A 723 100.963 1.412 10.073 1.00 11.17 C ATOM 1133 CG2 ILE A 723 102.106 1.210 12.334 1.00 11.85 C ATOM 1134 CD1 ILE A 723 99.517 0.860 10.422 1.00 12.08 C ATOM 1135 H ILE A 723 102.612 -0.271 8.576 1.00 0.00 H ATOM 1136 N ALA A 724 104.794 -0.973 11.026 1.00 9.71 N ATOM 1137 CA ALA A 724 105.896 -1.577 11.771 1.00 10.92 C ATOM 1138 C ALA A 724 107.237 -1.078 11.313 1.00 10.42 C ATOM 1139 O ALA A 724 108.122 -0.928 12.158 1.00 9.71 O ATOM 1140 CB ALA A 724 105.814 -3.082 11.651 1.00 11.27 C ATOM 1141 H ALA A 724 104.163 -1.581 10.466 1.00 0.00 H ATOM 1142 N ALA A 725 107.425 -0.866 10.017 1.00 8.45 N ATOM 1143 CA ALA A 725 108.705 -0.367 9.517 1.00 9.12 C ATOM 1144 C ALA A 725 108.922 1.044 9.982 1.00 9.76 C ATOM 1145 O ALA A 725 110.030 1.380 10.407 1.00 10.45 O ATOM 1146 CB ALA A 725 108.723 -0.492 7.997 1.00 10.92 C ATOM 1147 H ALA A 725 106.652 -1.057 9.348 1.00 0.00 H ATOM 1148 N GLY A 726 107.890 1.893 9.985 1.00 10.11 N ATOM 1149 CA GLY A 726 108.061 3.235 10.526 1.00 10.30 C ATOM 1150 C GLY A 726 108.369 3.203 12.018 1.00 9.92 C ATOM 1151 O GLY A 726 109.281 3.950 12.486 1.00 11.17 O ATOM 1152 H GLY A 726 106.969 1.597 9.603 1.00 0.00 H ATOM 1153 N MET A 727 107.675 2.315 12.781 1.00 8.69 N ATOM 1154 CA MET A 727 107.970 2.220 14.202 1.00 8.49 C ATOM 1155 C MET A 727 109.358 1.661 14.452 1.00 10.10 C ATOM 1156 O MET A 727 110.004 2.074 15.434 1.00 11.28 O ATOM 1157 CB MET A 727 106.918 1.372 14.887 1.00 9.42 C ATOM 1158 CG MET A 727 105.531 2.028 14.970 1.00 10.69 C ATOM 1159 SD MET A 727 105.573 3.621 15.789 1.00 11.46 S ATOM 1160 CE MET A 727 106.360 3.278 17.376 1.00 11.84 C ATOM 1161 H MET A 727 106.943 1.712 12.353 1.00 0.00 H ATOM 1162 N LYS A 728 109.826 0.693 13.645 1.00 8.29 N ATOM 1163 CA LYS A 728 111.177 0.180 13.843 1.00 9.26 C ATOM 1164 C LYS A 728 112.183 1.311 13.673 1.00 10.44 C ATOM 1165 O LYS A 728 113.110 1.452 14.484 1.00 10.95 O ATOM 1166 CB LYS A 728 111.457 -0.925 12.828 1.00 8.69 C ATOM 1167 CG LYS A 728 112.879 -1.486 13.027 1.00 10.01 C ATOM 1168 CD LYS A 728 113.232 -2.475 11.894 1.00 11.46 C ATOM 1169 CE LYS A 728 114.638 -2.966 12.146 1.00 11.92 C ATOM 1170 NZ LYS A 728 115.079 -3.970 11.052 1.00 14.00 N ATOM 1171 HZ1 LYS A 728 114.435 -4.786 11.052 1.00 0.00 H ATOM 1172 HZ2 LYS A 728 115.049 -3.504 10.123 1.00 0.00 H ATOM 1173 HZ3 LYS A 728 116.048 -4.292 11.249 1.00 0.00 H ATOM 1174 H LYS A 728 109.228 0.312 12.884 1.00 0.00 H ATOM 1175 N TYR A 729 112.008 2.133 12.665 1.00 10.82 N ATOM 1176 CA TYR A 729 112.872 3.272 12.456 1.00 10.56 C ATOM 1177 C TYR A 729 112.796 4.250 13.605 1.00 9.87 C ATOM 1178 O TYR A 729 113.835 4.645 14.143 1.00 11.69 O ATOM 1179 CB TYR A 729 112.464 3.940 11.141 1.00 11.42 C ATOM 1180 CG TYR A 729 113.235 5.174 10.804 1.00 12.59 C ATOM 1181 CD1 TYR A 729 114.451 5.072 10.128 1.00 13.94 C ATOM 1182 CD2 TYR A 729 112.742 6.437 11.113 1.00 14.12 C ATOM 1183 CE1 TYR A 729 115.159 6.219 9.728 1.00 15.65 C ATOM 1184 CE2 TYR A 729 113.453 7.589 10.696 1.00 15.62 C ATOM 1185 CZ TYR A 729 114.668 7.449 10.054 1.00 16.08 C ATOM 1186 OH TYR A 729 115.350 8.597 9.646 1.00 16.99 O ATOM 1187 HH TYR A 729 116.197 8.337 9.205 1.00 0.00 H ATOM 1188 H TYR A 729 111.228 1.960 12.000 1.00 0.00 H ATOM 1189 N LEU A 730 111.610 4.602 14.080 1.00 10.87 N ATOM 1190 CA LEU A 730 111.542 5.497 15.233 1.00 11.60 C ATOM 1191 C LEU A 730 112.225 4.917 16.444 1.00 12.77 C ATOM 1192 O LEU A 730 113.026 5.604 17.116 1.00 12.61 O ATOM 1193 CB LEU A 730 110.054 5.705 15.621 1.00 14.15 C ATOM 1194 CG LEU A 730 109.299 6.536 14.643 1.00 15.11 C ATOM 1195 CD1 LEU A 730 107.824 6.706 15.182 1.00 14.51 C ATOM 1196 CD2 LEU A 730 109.836 7.934 14.485 1.00 17.27 C ATOM 1197 H LEU A 730 110.739 4.246 13.638 1.00 0.00 H ATOM 1198 N ALA A 731 111.976 3.647 16.734 1.00 10.55 N ATOM 1199 CA ALA A 731 112.596 3.047 17.911 1.00 12.67 C ATOM 1200 C ALA A 731 114.122 3.063 17.787 1.00 11.29 C ATOM 1201 O ALA A 731 114.843 3.328 18.757 1.00 13.11 O ATOM 1202 CB ALA A 731 112.118 1.620 18.087 1.00 12.09 C ATOM 1203 H ALA A 731 111.345 3.084 16.128 1.00 0.00 H ATOM 1204 N ASN A 732 114.629 2.745 16.619 1.00 10.41 N ATOM 1205 CA ASN A 732 116.086 2.689 16.464 1.00 10.90 C ATOM 1206 C ASN A 732 116.692 4.063 16.405 1.00 12.30 C ATOM 1207 O ASN A 732 117.889 4.200 16.713 1.00 12.42 O ATOM 1208 CB ASN A 732 116.395 1.828 15.256 1.00 11.79 C ATOM 1209 CG ASN A 732 116.230 0.359 15.592 1.00 11.01 C ATOM 1210 OD1 ASN A 732 116.363 -0.064 16.762 1.00 15.22 O ATOM 1211 ND2 ASN A 732 116.002 -0.429 14.600 1.00 15.42 N ATOM 1212 HD22 ASN A 732 115.897 -0.041 13.641 1.00 0.00 H ATOM 1213 HD21 ASN A 732 115.923 -1.454 14.758 1.00 0.00 H ATOM 1214 H ASN A 732 114.005 2.535 15.814 1.00 0.00 H ATOM 1215 N MET A 733 115.927 5.096 16.090 1.00 12.42 N ATOM 1216 CA MET A 733 116.345 6.499 16.217 1.00 13.94 C ATOM 1217 C MET A 733 116.190 6.990 17.633 1.00 15.38 C ATOM 1218 O MET A 733 116.429 8.190 17.881 1.00 21.37 O ATOM 1219 CB MET A 733 115.553 7.378 15.218 1.00 15.18 C ATOM 1220 CG MET A 733 115.739 7.027 13.716 1.00 15.53 C ATOM 1221 SD MET A 733 117.379 7.510 13.059 1.00 17.18 S ATOM 1222 CE MET A 733 117.167 9.285 13.128 1.00 22.37 C ATOM 1223 H MET A 733 114.971 4.903 15.730 1.00 0.00 H ATOM 1224 N ASN A 734 115.854 6.109 18.593 1.00 14.08 N ATOM 1225 CA ASN A 734 115.741 6.401 20.021 1.00 17.00 C ATOM 1226 C ASN A 734 114.534 7.293 20.322 1.00 18.54 C ATOM 1227 O ASN A 734 114.553 8.099 21.262 1.00 20.17 O ATOM 1228 CB ASN A 734 117.042 7.035 20.572 1.00 19.01 C ATOM 1229 CG ASN A 734 117.178 6.828 22.058 1.00 24.95 C ATOM 1230 OD1 ASN A 734 116.621 5.900 22.616 1.00 26.92 O ATOM 1231 ND2 ASN A 734 117.941 7.705 22.708 1.00 32.65 N ATOM 1232 HD22 ASN A 734 118.397 8.482 22.189 1.00 0.00 H ATOM 1233 HD21 ASN A 734 118.081 7.613 23.734 1.00 0.00 H ATOM 1234 H ASN A 734 115.657 5.133 18.292 1.00 0.00 H ATOM 1235 N TYR A 735 113.441 7.100 19.595 1.00 14.64 N ATOM 1236 CA TYR A 735 112.208 7.821 19.858 1.00 15.15 C ATOM 1237 C TYR A 735 111.109 6.850 20.304 1.00 15.59 C ATOM 1238 O TYR A 735 110.784 5.912 19.572 1.00 16.49 O ATOM 1239 CB TYR A 735 111.765 8.554 18.591 1.00 14.90 C ATOM 1240 CG TYR A 735 110.591 9.472 18.858 1.00 20.09 C ATOM 1241 CD1 TYR A 735 109.291 9.102 18.522 1.00 22.57 C ATOM 1242 CD2 TYR A 735 110.787 10.688 19.538 1.00 24.52 C ATOM 1243 CE1 TYR A 735 108.214 9.927 18.812 1.00 23.09 C ATOM 1244 CE2 TYR A 735 109.702 11.525 19.821 1.00 24.02 C ATOM 1245 CZ TYR A 735 108.428 11.128 19.446 1.00 26.28 C ATOM 1246 OH TYR A 735 107.297 11.897 19.720 1.00 23.77 O ATOM 1247 HH TYR A 735 106.494 11.437 19.370 1.00 0.00 H ATOM 1248 H TYR A 735 113.468 6.413 18.815 1.00 0.00 H ATOM 1249 N VAL A 736 110.473 7.150 21.421 1.00 15.18 N ATOM 1250 CA VAL A 736 109.324 6.398 21.898 1.00 13.17 C ATOM 1251 C VAL A 736 108.097 7.227 21.597 1.00 15.83 C ATOM 1252 O VAL A 736 108.048 8.432 21.877 1.00 16.68 O ATOM 1253 CB VAL A 736 109.462 6.117 23.398 1.00 13.95 C ATOM 1254 CG1 VAL A 736 108.239 5.328 23.921 1.00 19.72 C ATOM 1255 CG2 VAL A 736 110.785 5.341 23.594 1.00 18.82 C ATOM 1256 H VAL A 736 110.808 7.958 21.983 1.00 0.00 H ATOM 1257 N HIS A 737 107.128 6.621 20.892 1.00 13.58 N ATOM 1258 CA HIS A 737 105.987 7.374 20.426 1.00 14.26 C ATOM 1259 C HIS A 737 105.011 7.704 21.560 1.00 12.86 C ATOM 1260 O HIS A 737 104.599 8.878 21.690 1.00 14.81 O ATOM 1261 CB HIS A 737 105.313 6.610 19.290 1.00 13.70 C ATOM 1262 CG HIS A 737 104.252 7.419 18.636 1.00 14.07 C ATOM 1263 ND1 HIS A 737 103.030 7.676 19.231 1.00 13.70 N ATOM 1264 CD2 HIS A 737 104.228 8.017 17.419 1.00 17.81 C ATOM 1265 CE1 HIS A 737 102.320 8.437 18.418 1.00 16.41 C ATOM 1266 NE2 HIS A 737 102.998 8.624 17.297 1.00 20.27 N ATOM 1267 H HIS A 737 107.199 5.605 20.681 1.00 0.00 H ATOM 1268 N ARG A 738 104.689 6.712 22.358 1.00 12.99 N ATOM 1269 CA ARG A 738 103.805 6.795 23.527 1.00 12.28 C ATOM 1270 C ARG A 738 102.320 6.918 23.198 1.00 13.25 C ATOM 1271 O ARG A 738 101.502 6.784 24.134 1.00 16.71 O ATOM 1272 CB ARG A 738 104.125 7.993 24.459 1.00 14.49 C ATOM 1273 CG ARG A 738 105.628 8.062 24.848 1.00 16.70 C ATOM 1274 CD ARG A 738 105.801 8.983 26.074 1.00 25.26 C ATOM 1275 NE ARG A 738 107.083 8.754 26.762 1.00 39.68 N ATOM 1276 CZ ARG A 738 107.315 9.067 28.042 1.00 57.99 C ATOM 1277 NH1 ARG A 738 106.366 9.642 28.768 1.00 52.62 N ATOM 1278 NH2 ARG A 738 108.499 8.812 28.603 1.00 43.41 N ATOM 1279 HE ARG A 738 107.857 8.322 26.218 1.00 0.00 H ATOM 1280 HH12 ARG A 738 106.548 9.885 29.763 1.00 0.00 H ATOM 1281 HH11 ARG A 738 105.440 9.850 28.343 1.00 0.00 H ATOM 1282 HH22 ARG A 738 108.667 9.060 29.599 1.00 0.00 H ATOM 1283 HH21 ARG A 738 109.254 8.365 28.044 1.00 0.00 H ATOM 1284 H ARG A 738 105.098 5.781 22.142 1.00 0.00 H ATOM 1285 N ASP A 739 101.950 7.189 21.934 1.00 14.92 N ATOM 1286 CA ASP A 739 100.536 7.387 21.561 1.00 16.81 C ATOM 1287 C ASP A 739 100.249 6.679 20.258 1.00 14.18 C ATOM 1288 O ASP A 739 99.464 7.145 19.429 1.00 15.51 O ATOM 1289 CB ASP A 739 100.226 8.891 21.493 1.00 20.77 C ATOM 1290 CG ASP A 739 98.746 9.217 21.445 1.00 35.22 C ATOM 1291 OD1 ASP A 739 97.944 8.430 21.978 1.00 25.96 O ATOM 1292 OD2 ASP A 739 98.431 10.289 20.853 1.00 29.70 O ATOM 1293 H ASP A 739 102.681 7.261 21.198 1.00 0.00 H ATOM 1294 N LEU A 740 100.822 5.503 20.071 1.00 13.02 N ATOM 1295 CA LEU A 740 100.628 4.772 18.822 1.00 11.80 C ATOM 1296 C LEU A 740 99.210 4.179 18.827 1.00 11.33 C ATOM 1297 O LEU A 740 98.864 3.412 19.724 1.00 13.07 O ATOM 1298 CB LEU A 740 101.707 3.692 18.663 1.00 12.68 C ATOM 1299 CG LEU A 740 101.515 2.778 17.433 1.00 11.88 C ATOM 1300 CD1 LEU A 740 101.500 3.569 16.105 1.00 15.24 C ATOM 1301 CD2 LEU A 740 102.622 1.710 17.466 1.00 12.68 C ATOM 1302 H LEU A 740 101.416 5.094 20.820 1.00 0.00 H ATOM 1303 N ALA A 741 98.444 4.499 17.799 1.00 10.28 N ATOM 1304 CA ALA A 741 97.025 4.145 17.643 1.00 10.78 C ATOM 1305 C ALA A 741 96.718 4.416 16.194 1.00 11.55 C ATOM 1306 O ALA A 741 97.336 5.268 15.552 1.00 11.41 O ATOM 1307 CB ALA A 741 96.141 5.024 18.567 1.00 11.45 C ATOM 1308 H ALA A 741 98.883 5.049 17.033 1.00 0.00 H ATOM 1309 N ALA A 742 95.694 3.719 15.663 1.00 10.75 N ATOM 1310 CA ALA A 742 95.390 3.943 14.247 1.00 10.59 C ATOM 1311 C ALA A 742 94.954 5.390 13.968 1.00 10.92 C ATOM 1312 O ALA A 742 95.203 5.884 12.858 1.00 13.05 O ATOM 1313 CB ALA A 742 94.324 2.922 13.752 1.00 11.81 C ATOM 1314 H ALA A 742 95.142 3.049 16.235 1.00 0.00 H ATOM 1315 N ARG A 743 94.363 6.112 14.958 1.00 10.98 N ATOM 1316 CA ARG A 743 94.029 7.510 14.758 1.00 12.15 C ATOM 1317 C ARG A 743 95.254 8.369 14.506 1.00 14.15 C ATOM 1318 O ARG A 743 95.084 9.494 14.018 1.00 16.26 O ATOM 1319 CB ARG A 743 93.286 8.046 15.990 1.00 13.88 C ATOM 1320 CG ARG A 743 94.108 8.072 17.216 1.00 15.93 C ATOM 1321 CD ARG A 743 93.335 8.678 18.488 1.00 24.51 C ATOM 1322 NE ARG A 743 94.144 8.379 19.667 1.00 30.61 N ATOM 1323 CZ ARG A 743 94.087 7.227 20.325 1.00 26.40 C ATOM 1324 NH1 ARG A 743 93.226 6.264 19.945 1.00 25.85 N ATOM 1325 NH2 ARG A 743 94.923 7.021 21.323 1.00 27.27 N ATOM 1326 HE ARG A 743 94.801 9.109 20.010 1.00 0.00 H ATOM 1327 HH12 ARG A 743 93.188 5.365 20.466 1.00 0.00 H ATOM 1328 HH11 ARG A 743 92.599 6.419 19.130 1.00 0.00 H ATOM 1329 HH22 ARG A 743 94.893 6.125 21.850 1.00 0.00 H ATOM 1330 HH21 ARG A 743 95.613 7.755 21.584 1.00 0.00 H ATOM 1331 H ARG A 743 94.148 5.657 15.868 1.00 0.00 H ATOM 1332 N ASN A 744 96.475 7.885 14.808 1.00 12.00 N ATOM 1333 CA ASN A 744 97.656 8.700 14.603 1.00 13.24 C ATOM 1334 C ASN A 744 98.437 8.238 13.396 1.00 13.22 C ATOM 1335 O ASN A 744 99.594 8.680 13.203 1.00 15.43 O ATOM 1336 CB ASN A 744 98.509 8.651 15.874 1.00 15.45 C ATOM 1337 CG ASN A 744 97.925 9.539 16.970 1.00 18.38 C ATOM 1338 OD1 ASN A 744 97.290 10.544 16.662 1.00 21.40 O ATOM 1339 ND2 ASN A 744 98.074 9.154 18.230 1.00 17.48 N ATOM 1340 HD22 ASN A 744 98.619 8.296 18.451 1.00 0.00 H ATOM 1341 HD21 ASN A 744 97.646 9.710 18.998 1.00 0.00 H ATOM 1342 H ASN A 744 96.570 6.922 15.190 1.00 0.00 H ATOM 1343 N ILE A 745 97.828 7.430 12.547 1.00 11.87 N ATOM 1344 CA ILE A 745 98.454 6.928 11.336 1.00 11.17 C ATOM 1345 C ILE A 745 97.681 7.473 10.150 1.00 10.04 C ATOM 1346 O ILE A 745 96.454 7.289 10.054 1.00 11.62 O ATOM 1347 CB ILE A 745 98.432 5.400 11.350 1.00 10.23 C ATOM 1348 CG1 ILE A 745 99.225 4.936 12.567 1.00 12.18 C ATOM 1349 CG2 ILE A 745 98.915 4.837 10.023 1.00 11.39 C ATOM 1350 CD1 ILE A 745 99.060 3.505 12.871 1.00 11.05 C ATOM 1351 H ILE A 745 96.852 7.139 12.756 1.00 0.00 H ATOM 1352 N LEU A 746 98.377 8.160 9.254 1.00 10.93 N ATOM 1353 CA LEU A 746 97.729 8.755 8.095 1.00 10.68 C ATOM 1354 C LEU A 746 97.931 7.875 6.886 1.00 11.62 C ATOM 1355 O LEU A 746 98.932 7.142 6.776 1.00 11.71 O ATOM 1356 CB LEU A 746 98.304 10.160 7.821 1.00 12.77 C ATOM 1357 CG LEU A 746 97.911 11.190 8.900 1.00 15.83 C ATOM 1358 CD1 LEU A 746 98.708 12.520 8.722 1.00 19.57 C ATOM 1359 CD2 LEU A 746 96.395 11.518 8.815 1.00 19.52 C ATOM 1360 H LEU A 746 99.403 8.275 9.382 1.00 0.00 H ATOM 1361 N VAL A 747 97.034 7.998 5.922 1.00 10.58 N ATOM 1362 CA VAL A 747 97.010 7.127 4.756 1.00 11.82 C ATOM 1363 C VAL A 747 96.994 7.987 3.506 1.00 12.95 C ATOM 1364 O VAL A 747 96.191 8.916 3.376 1.00 12.94 O ATOM 1365 CB VAL A 747 95.770 6.226 4.776 1.00 11.45 C ATOM 1366 CG1 VAL A 747 95.854 5.232 3.625 1.00 14.01 C ATOM 1367 CG2 VAL A 747 95.665 5.500 6.107 1.00 13.55 C ATOM 1368 H VAL A 747 96.317 8.747 6.000 1.00 0.00 H ATOM 1369 N ASN A 748 97.887 7.692 2.567 1.00 13.57 N ATOM 1370 CA ASN A 748 97.894 8.447 1.305 1.00 13.46 C ATOM 1371 C ASN A 748 97.030 7.786 0.239 1.00 15.71 C ATOM 1372 O ASN A 748 96.395 6.748 0.467 1.00 15.70 O ATOM 1373 CB ASN A 748 99.323 8.784 0.854 1.00 16.25 C ATOM 1374 CG ASN A 748 100.086 7.613 0.249 1.00 17.18 C ATOM 1375 OD1 ASN A 748 99.532 6.567 -0.037 1.00 15.80 O ATOM 1376 ND2 ASN A 748 101.417 7.801 0.065 1.00 18.24 N ATOM 1377 HD22 ASN A 748 101.854 8.709 0.322 1.00 0.00 H ATOM 1378 HD21 ASN A 748 102.000 7.037 -0.333 1.00 0.00 H ATOM 1379 H ASN A 748 98.578 6.931 2.724 1.00 0.00 H ATOM 1380 N SER A 749 96.997 8.410 -0.969 1.00 15.19 N ATOM 1381 CA SER A 749 96.100 7.931 -2.012 1.00 18.39 C ATOM 1382 C SER A 749 96.469 6.541 -2.483 1.00 18.78 C ATOM 1383 O SER A 749 95.608 5.837 -3.003 1.00 26.20 O ATOM 1384 CB SER A 749 96.051 8.907 -3.197 1.00 24.45 C ATOM 1385 OG SER A 749 97.341 9.145 -3.665 1.00 33.53 O ATOM 1386 HG SER A 749 97.303 9.774 -4.428 1.00 0.00 H ATOM 1387 H SER A 749 97.612 9.229 -1.148 1.00 0.00 H ATOM 1388 N ASN A 750 97.718 6.135 -2.256 1.00 18.49 N ATOM 1389 CA ASN A 750 98.239 4.835 -2.661 1.00 19.97 C ATOM 1390 C ASN A 750 98.222 3.831 -1.541 1.00 15.20 C ATOM 1391 O ASN A 750 98.863 2.764 -1.643 1.00 16.11 O ATOM 1392 CB ASN A 750 99.649 4.968 -3.251 1.00 19.87 C ATOM 1393 CG ASN A 750 99.641 5.838 -4.475 1.00 31.44 C ATOM 1394 OD1 ASN A 750 98.685 5.783 -5.232 1.00 29.30 O ATOM 1395 ND2 ASN A 750 100.628 6.699 -4.620 1.00 43.44 N ATOM 1396 HD22 ASN A 750 101.419 6.702 -3.945 1.00 0.00 H ATOM 1397 HD21 ASN A 750 100.616 7.376 -5.410 1.00 0.00 H ATOM 1398 H ASN A 750 98.360 6.785 -1.760 1.00 0.00 H ATOM 1399 N LEU A 751 97.492 4.143 -0.460 1.00 14.09 N ATOM 1400 CA LEU A 751 97.288 3.224 0.662 1.00 15.07 C ATOM 1401 C LEU A 751 98.542 3.020 1.531 1.00 16.36 C ATOM 1402 O LEU A 751 98.546 2.129 2.406 1.00 17.40 O ATOM 1403 CB LEU A 751 96.640 1.873 0.250 1.00 18.03 C ATOM 1404 CG LEU A 751 95.312 1.950 -0.505 1.00 19.86 C ATOM 1405 CD1 LEU A 751 94.908 0.504 -0.868 1.00 23.33 C ATOM 1406 CD2 LEU A 751 94.234 2.605 0.387 1.00 20.99 C ATOM 1407 H LEU A 751 97.049 5.083 -0.416 1.00 0.00 H ATOM 1408 N VAL A 752 99.571 3.861 1.373 1.00 13.40 N ATOM 1409 CA VAL A 752 100.744 3.816 2.229 1.00 14.29 C ATOM 1410 C VAL A 752 100.363 4.463 3.545 1.00 13.56 C ATOM 1411 O VAL A 752 99.809 5.573 3.591 1.00 13.93 O ATOM 1412 CB VAL A 752 101.909 4.555 1.574 1.00 12.98 C ATOM 1413 CG1 VAL A 752 103.123 4.627 2.527 1.00 13.97 C ATOM 1414 CG2 VAL A 752 102.271 3.859 0.252 1.00 17.77 C ATOM 1415 H VAL A 752 99.530 4.570 0.613 1.00 0.00 H ATOM 1416 N CYS A 753 100.665 3.754 4.615 1.00 11.03 N ATOM 1417 CA CYS A 753 100.402 4.240 5.971 1.00 11.91 C ATOM 1418 C CYS A 753 101.659 4.838 6.590 1.00 11.91 C ATOM 1419 O CYS A 753 102.762 4.281 6.472 1.00 13.54 O ATOM 1420 CB CYS A 753 99.991 3.062 6.883 1.00 12.69 C ATOM 1421 SG CYS A 753 98.379 2.439 6.374 1.00 14.77 S ATOM 1422 H CYS A 753 101.104 2.819 4.492 1.00 0.00 H ATOM 1423 N LYS A 754 101.507 6.010 7.207 1.00 10.72 N ATOM 1424 CA LYS A 754 102.640 6.692 7.842 1.00 12.23 C ATOM 1425 C LYS A 754 102.323 7.089 9.267 1.00 11.26 C ATOM 1426 O LYS A 754 101.258 7.650 9.560 1.00 12.73 O ATOM 1427 CB LYS A 754 103.034 7.927 7.031 1.00 13.77 C ATOM 1428 CG LYS A 754 103.263 7.561 5.560 1.00 13.89 C ATOM 1429 CD LYS A 754 103.874 8.726 4.849 1.00 17.47 C ATOM 1430 CE LYS A 754 104.055 8.365 3.363 1.00 17.61 C ATOM 1431 NZ LYS A 754 105.130 9.182 2.750 1.00 21.63 N ATOM 1432 HZ1 LYS A 754 104.883 10.189 2.823 1.00 0.00 H ATOM 1433 HZ2 LYS A 754 106.025 9.006 3.250 1.00 0.00 H ATOM 1434 HZ3 LYS A 754 105.234 8.921 1.749 1.00 0.00 H ATOM 1435 H LYS A 754 100.565 6.450 7.239 1.00 0.00 H ATOM 1436 N VAL A 755 103.286 6.842 10.147 1.00 10.10 N ATOM 1437 CA VAL A 755 103.173 7.274 11.514 1.00 11.67 C ATOM 1438 C VAL A 755 103.245 8.781 11.565 1.00 13.01 C ATOM 1439 O VAL A 755 104.130 9.428 10.939 1.00 13.73 O ATOM 1440 CB VAL A 755 104.289 6.652 12.377 1.00 13.68 C ATOM 1441 CG1 VAL A 755 104.040 7.050 13.836 1.00 17.20 C ATOM 1442 CG2 VAL A 755 104.273 5.121 12.256 1.00 15.62 C ATOM 1443 H VAL A 755 104.137 6.327 9.842 1.00 0.00 H ATOM 1444 N SER A 756 102.296 9.370 12.282 1.00 17.93 N ATOM 1445 CA SER A 756 102.310 10.790 12.566 1.00 27.14 C ATOM 1446 C SER A 756 101.903 10.986 14.025 1.00 29.83 C ATOM 1447 O SER A 756 101.848 10.038 14.830 1.00 22.49 O ATOM 1448 CB SER A 756 101.372 11.554 11.625 1.00 26.96 C ATOM 1449 OG SER A 756 101.153 10.931 10.370 1.00 24.43 O ATOM 1450 HG SER A 756 100.539 11.488 9.829 1.00 0.00 H ATOM 1451 H SER A 756 101.515 8.792 12.653 1.00 0.00 H ATOM 1452 N ASP A 757 101.631 12.225 14.348 1.00 34.03 N ATOM 1453 CA ASP A 757 101.218 12.822 15.501 1.00 37.36 C ATOM 1454 C ASP A 757 102.178 12.607 16.591 1.00 32.51 C ATOM 1455 O ASP A 757 102.008 11.860 17.452 1.00 64.10 O ATOM 1456 CB ASP A 757 99.769 12.457 15.785 1.00 43.51 C ATOM 1457 CG ASP A 757 99.056 13.609 16.338 1.00 55.41 C ATOM 1458 OD1 ASP A 757 98.004 13.999 15.842 1.00 58.89 O ATOM 1459 OD2 ASP A 757 99.667 14.151 17.244 1.00 50.91 O ATOM 1460 H ASP A 757 101.756 12.893 13.561 1.00 0.00 H ATOM 1461 N PHE A 758 103.230 13.340 16.513 1.00 39.06 N ATOM 1462 CA PHE A 758 104.349 13.370 17.415 1.00 38.74 C ATOM 1463 C PHE A 758 104.165 14.381 18.526 1.00 55.27 C ATOM 1464 O PHE A 758 105.157 14.821 19.118 1.00 48.68 O ATOM 1465 CB PHE A 758 105.636 13.579 16.629 1.00 37.67 C ATOM 1466 CG PHE A 758 105.907 12.471 15.657 1.00 42.29 C ATOM 1467 CD1 PHE A 758 106.591 11.348 16.081 1.00 39.64 C ATOM 1468 CD2 PHE A 758 105.466 12.532 14.333 1.00 31.98 C ATOM 1469 CE1 PHE A 758 106.842 10.326 15.224 1.00 29.99 C ATOM 1470 CE2 PHE A 758 105.731 11.493 13.467 1.00 28.22 C ATOM 1471 CZ PHE A 758 106.412 10.390 13.933 1.00 21.51 C ATOM 1472 H PHE A 758 103.278 13.988 15.701 1.00 0.00 H ATOM 1473 N GLY A 759 102.916 14.733 18.827 1.00 42.86 N ATOM 1474 CA GLY A 759 102.599 15.680 19.884 1.00 62.88 C ATOM 1475 C GLY A 759 101.844 15.086 21.065 1.00 60.35 C ATOM 1476 O GLY A 759 100.633 14.840 20.992 1.00 59.26 O ATOM 1477 H GLY A 759 102.135 14.313 18.283 1.00 0.00 H TER 1478 GLY A 759 ATOM 1479 N LYS A 778 95.920 11.788 30.219 1.00 70.05 N ATOM 1480 CA LYS A 778 95.801 12.138 28.804 1.00 72.39 C ATOM 1481 C LYS A 778 95.782 10.907 27.882 1.00 67.57 C ATOM 1482 O LYS A 778 94.819 10.709 27.138 1.00 63.54 O ATOM 1483 CB LYS A 778 96.890 13.146 28.371 1.00 48.99 C ATOM 1484 CG LYS A 778 96.810 14.559 28.977 1.00 67.78 C ATOM 1485 CD LYS A 778 97.937 15.471 28.510 1.00 65.91 C ATOM 1486 CE LYS A 778 97.813 16.862 29.108 1.00 67.05 C ATOM 1487 NZ LYS A 778 98.938 17.735 28.659 1.00 60.86 N ATOM 1488 HZ1 LYS A 778 99.841 17.318 28.963 1.00 0.00 H ATOM 1489 HZ2 LYS A 778 98.922 17.813 27.622 1.00 0.00 H ATOM 1490 HZ3 LYS A 778 98.832 18.680 29.080 1.00 0.00 H ATOM 1491 HN3 LYS A 778 96.805 11.263 30.372 1.00 0.00 H ATOM 1492 HN2 LYS A 778 95.112 11.196 30.497 1.00 0.00 H ATOM 1493 HN1 LYS A 778 95.928 12.657 30.790 1.00 0.00 H ATOM 1494 N ILE A 779 96.825 10.081 27.973 1.00 66.64 N ATOM 1495 CA ILE A 779 97.119 8.989 27.037 1.00 61.90 C ATOM 1496 C ILE A 779 96.036 7.913 27.041 1.00 50.86 C ATOM 1497 O ILE A 779 95.767 7.307 28.089 1.00 40.65 O ATOM 1498 CB ILE A 779 98.502 8.379 27.334 1.00 68.76 C ATOM 1499 CG1 ILE A 779 98.732 7.105 26.510 1.00 46.15 C ATOM 1500 CG2 ILE A 779 98.670 8.110 28.843 1.00 72.38 C ATOM 1501 CD1 ILE A 779 98.700 7.327 25.023 1.00 39.86 C ATOM 1502 H ILE A 779 97.480 10.221 28.768 1.00 0.00 H ATOM 1503 N PRO A 780 95.393 7.628 25.910 1.00 55.89 N ATOM 1504 CA PRO A 780 94.401 6.549 25.920 1.00 57.11 C ATOM 1505 C PRO A 780 94.898 5.201 26.426 1.00 37.95 C ATOM 1506 O PRO A 780 95.755 4.458 25.860 1.00 23.17 O ATOM 1507 CB PRO A 780 93.807 6.569 24.507 1.00 60.02 C ATOM 1508 CG PRO A 780 93.932 8.015 24.124 1.00 59.71 C ATOM 1509 CD PRO A 780 95.257 8.468 24.709 1.00 57.58 C ATOM 1510 N ILE A 781 94.280 4.962 27.592 1.00 22.39 N ATOM 1511 CA ILE A 781 94.547 3.801 28.402 1.00 18.49 C ATOM 1512 C ILE A 781 94.526 2.553 27.537 1.00 16.25 C ATOM 1513 O ILE A 781 95.350 1.654 27.716 1.00 17.18 O ATOM 1514 CB ILE A 781 93.492 3.735 29.546 1.00 28.04 C ATOM 1515 CG1 ILE A 781 93.764 4.823 30.576 1.00 40.02 C ATOM 1516 CG2 ILE A 781 93.279 2.347 30.124 1.00 24.00 C ATOM 1517 CD1 ILE A 781 95.189 4.917 30.915 1.00 38.29 C ATOM 1518 H ILE A 781 93.574 5.648 27.928 1.00 0.00 H ATOM 1519 N ARG A 782 93.515 2.418 26.658 1.00 15.86 N ATOM 1520 CA ARG A 782 93.311 1.106 26.045 1.00 15.41 C ATOM 1521 C ARG A 782 94.327 0.770 24.947 1.00 12.52 C ATOM 1522 O ARG A 782 94.322 -0.359 24.485 1.00 13.48 O ATOM 1523 CB ARG A 782 91.895 0.863 25.594 1.00 22.91 C ATOM 1524 CG ARG A 782 91.457 1.752 24.632 1.00 18.05 C ATOM 1525 CD ARG A 782 89.847 1.746 24.550 1.00 24.96 C ATOM 1526 NE ARG A 782 89.275 2.222 25.792 1.00 24.23 N ATOM 1527 CZ ARG A 782 88.153 1.781 26.399 1.00 20.90 C ATOM 1528 NH1 ARG A 782 87.821 2.282 27.593 1.00 26.05 N ATOM 1529 NH2 ARG A 782 87.409 0.783 25.870 1.00 21.11 N ATOM 1530 HE ARG A 782 89.787 2.991 26.271 1.00 0.00 H ATOM 1531 HH12 ARG A 782 86.960 1.953 28.074 1.00 0.00 H ATOM 1532 HH11 ARG A 782 88.424 3.001 28.041 1.00 0.00 H ATOM 1533 HH22 ARG A 782 86.548 0.461 26.357 1.00 0.00 H ATOM 1534 HH21 ARG A 782 87.697 0.337 24.976 1.00 0.00 H ATOM 1535 H ARG A 782 92.898 3.222 26.422 1.00 0.00 H ATOM 1536 N TRP A 783 95.213 1.689 24.570 1.00 12.54 N ATOM 1537 CA TRP A 783 96.334 1.377 23.693 1.00 11.63 C ATOM 1538 C TRP A 783 97.629 1.222 24.455 1.00 12.84 C ATOM 1539 O TRP A 783 98.645 0.911 23.845 1.00 13.05 O ATOM 1540 CB TRP A 783 96.480 2.508 22.684 1.00 12.24 C ATOM 1541 CG TRP A 783 95.466 2.485 21.582 1.00 10.18 C ATOM 1542 CD1 TRP A 783 95.695 1.990 20.306 1.00 12.20 C ATOM 1543 CD2 TRP A 783 94.143 2.971 21.611 1.00 13.39 C ATOM 1544 NE1 TRP A 783 94.535 2.136 19.562 1.00 12.51 N ATOM 1545 CE2 TRP A 783 93.569 2.713 20.323 1.00 13.94 C ATOM 1546 CE3 TRP A 783 93.376 3.625 22.579 1.00 15.10 C ATOM 1547 CZ2 TRP A 783 92.289 3.062 19.991 1.00 16.14 C ATOM 1548 CZ3 TRP A 783 92.052 3.970 22.233 1.00 18.92 C ATOM 1549 CH2 TRP A 783 91.530 3.686 20.951 1.00 16.21 C ATOM 1550 HE1 TRP A 783 94.421 1.847 18.569 1.00 0.00 H ATOM 1551 H TRP A 783 95.101 2.664 24.914 1.00 0.00 H ATOM 1552 N THR A 784 97.645 1.411 25.774 1.00 12.92 N ATOM 1553 CA THR A 784 98.901 1.581 26.512 1.00 11.99 C ATOM 1554 C THR A 784 99.269 0.315 27.255 1.00 11.54 C ATOM 1555 O THR A 784 98.420 -0.334 27.876 1.00 13.39 O ATOM 1556 CB THR A 784 98.712 2.769 27.456 1.00 12.45 C ATOM 1557 OG1 THR A 784 98.421 3.931 26.686 1.00 14.30 O ATOM 1558 CG2 THR A 784 99.995 3.016 28.282 1.00 15.55 C ATOM 1559 HG1 THR A 784 99.172 4.112 26.067 1.00 0.00 H ATOM 1560 H THR A 784 96.744 1.439 26.293 1.00 0.00 H ATOM 1561 N ALA A 785 100.585 -0.018 27.254 1.00 11.67 N ATOM 1562 CA ALA A 785 100.988 -1.204 27.960 1.00 11.85 C ATOM 1563 C ALA A 785 100.827 -1.054 29.491 1.00 11.03 C ATOM 1564 O ALA A 785 100.938 0.065 30.037 1.00 13.23 O ATOM 1565 CB ALA A 785 102.477 -1.496 27.678 1.00 14.12 C ATOM 1566 H ALA A 785 101.284 0.569 26.756 1.00 0.00 H ATOM 1567 N PRO A 786 100.647 -2.158 30.182 1.00 12.85 N ATOM 1568 CA PRO A 786 100.395 -2.048 31.641 1.00 13.33 C ATOM 1569 C PRO A 786 101.512 -1.349 32.401 1.00 17.15 C ATOM 1570 O PRO A 786 101.174 -0.560 33.320 1.00 16.75 O ATOM 1571 CB PRO A 786 100.244 -3.505 32.089 1.00 19.99 C ATOM 1572 CG PRO A 786 99.918 -4.312 30.814 1.00 22.13 C ATOM 1573 CD PRO A 786 100.550 -3.526 29.651 1.00 15.63 C ATOM 1574 N GLU A 787 102.803 -1.561 32.073 1.00 14.91 N ATOM 1575 CA GLU A 787 103.830 -0.865 32.833 1.00 16.84 C ATOM 1576 C GLU A 787 103.867 0.602 32.559 1.00 17.50 C ATOM 1577 O GLU A 787 104.382 1.372 33.373 1.00 17.19 O ATOM 1578 CB GLU A 787 105.215 -1.454 32.598 1.00 18.84 C ATOM 1579 CG GLU A 787 105.817 -1.171 31.180 1.00 17.08 C ATOM 1580 CD GLU A 787 105.270 -2.136 30.053 1.00 17.19 C ATOM 1581 OE1 GLU A 787 104.346 -2.966 30.249 1.00 15.28 O ATOM 1582 OE2 GLU A 787 105.833 -1.994 28.939 1.00 14.67 O ATOM 1583 H GLU A 787 103.058 -2.205 31.297 1.00 0.00 H ATOM 1584 N ALA A 788 103.382 1.054 31.407 1.00 13.07 N ATOM 1585 CA ALA A 788 103.333 2.480 31.147 1.00 13.14 C ATOM 1586 C ALA A 788 102.150 3.108 31.869 1.00 17.89 C ATOM 1587 O ALA A 788 102.245 4.253 32.301 1.00 19.15 O ATOM 1588 CB ALA A 788 103.233 2.748 29.619 1.00 14.64 C ATOM 1589 H ALA A 788 103.037 0.384 30.691 1.00 0.00 H ATOM 1590 N ILE A 789 101.009 2.414 31.908 1.00 15.10 N ATOM 1591 CA ILE A 789 99.852 2.916 32.660 1.00 18.16 C ATOM 1592 C ILE A 789 100.236 3.153 34.115 1.00 19.76 C ATOM 1593 O ILE A 789 100.052 4.258 34.665 1.00 23.27 O ATOM 1594 CB ILE A 789 98.703 1.909 32.549 1.00 15.59 C ATOM 1595 CG1 ILE A 789 98.079 1.946 31.152 1.00 16.56 C ATOM 1596 CG2 ILE A 789 97.602 2.288 33.633 1.00 20.15 C ATOM 1597 CD1 ILE A 789 97.166 0.768 30.960 1.00 19.91 C ATOM 1598 H ILE A 789 100.940 1.509 31.401 1.00 0.00 H ATOM 1599 N SER A 790 100.750 2.116 34.748 1.00 19.57 N ATOM 1600 CA SER A 790 100.966 2.125 36.197 1.00 21.22 C ATOM 1601 C SER A 790 102.216 2.918 36.566 1.00 26.54 C ATOM 1602 O SER A 790 102.152 3.880 37.351 1.00 26.82 O ATOM 1603 CB SER A 790 101.089 0.694 36.641 1.00 17.54 C ATOM 1604 OG SER A 790 99.853 -0.004 36.517 1.00 30.50 O ATOM 1605 HG SER A 790 99.168 0.439 37.077 1.00 0.00 H ATOM 1606 H SER A 790 101.009 1.269 34.203 1.00 0.00 H ATOM 1607 N TYR A 791 103.346 2.604 35.940 1.00 20.91 N ATOM 1608 CA TYR A 791 104.627 3.150 36.370 1.00 22.00 C ATOM 1609 C TYR A 791 105.144 4.252 35.469 1.00 24.02 C ATOM 1610 O TYR A 791 106.238 4.804 35.713 1.00 25.20 O ATOM 1611 CB TYR A 791 105.654 2.021 36.487 1.00 21.41 C ATOM 1612 CG TYR A 791 105.206 0.904 37.349 1.00 29.98 C ATOM 1613 CD1 TYR A 791 105.148 1.065 38.735 1.00 31.78 C ATOM 1614 CD2 TYR A 791 104.822 -0.323 36.810 1.00 31.59 C ATOM 1615 CE1 TYR A 791 104.715 0.044 39.553 1.00 37.00 C ATOM 1616 CE2 TYR A 791 104.409 -1.359 37.616 1.00 38.01 C ATOM 1617 CZ TYR A 791 104.341 -1.168 38.992 1.00 42.46 C ATOM 1618 OH TYR A 791 103.924 -2.199 39.809 1.00 44.67 O ATOM 1619 HH TYR A 791 103.934 -1.896 40.752 1.00 0.00 H ATOM 1620 H TYR A 791 103.315 1.956 35.127 1.00 0.00 H ATOM 1621 N ARG A 792 104.422 4.552 34.393 1.00 20.89 N ATOM 1622 CA ARG A 792 104.838 5.545 33.408 1.00 20.10 C ATOM 1623 C ARG A 792 106.168 5.151 32.760 1.00 20.73 C ATOM 1624 O ARG A 792 106.949 6.018 32.351 1.00 22.56 O ATOM 1625 CB ARG A 792 104.890 6.973 33.993 1.00 26.57 C ATOM 1626 CG ARG A 792 103.727 7.280 34.913 1.00 34.24 C ATOM 1627 CD ARG A 792 102.383 6.974 34.282 1.00 33.06 C ATOM 1628 NE ARG A 792 102.089 7.877 33.173 1.00 57.50 N ATOM 1629 CZ ARG A 792 101.018 7.769 32.394 1.00 49.74 C ATOM 1630 NH1 ARG A 792 100.145 6.802 32.614 1.00 33.63 N ATOM 1631 NH2 ARG A 792 100.816 8.629 31.404 1.00 57.78 N ATOM 1632 HE ARG A 792 102.757 8.650 32.981 1.00 0.00 H ATOM 1633 HH12 ARG A 792 99.305 6.712 32.008 1.00 0.00 H ATOM 1634 HH11 ARG A 792 100.298 6.131 33.393 1.00 0.00 H ATOM 1635 HH22 ARG A 792 99.975 8.537 30.799 1.00 0.00 H ATOM 1636 HH21 ARG A 792 101.499 9.395 31.233 1.00 0.00 H ATOM 1637 H ARG A 792 103.520 4.056 34.247 1.00 0.00 H ATOM 1638 N LYS A 793 106.395 3.840 32.669 1.00 18.57 N ATOM 1639 CA LYS A 793 107.587 3.291 32.006 1.00 19.15 C ATOM 1640 C LYS A 793 107.270 3.113 30.513 1.00 16.23 C ATOM 1641 O LYS A 793 106.842 2.034 30.100 1.00 19.24 O ATOM 1642 CB LYS A 793 107.926 1.940 32.621 1.00 22.57 C ATOM 1643 CG LYS A 793 108.588 2.039 34.060 1.00 26.11 C ATOM 1644 CD LYS A 793 108.823 0.630 34.593 1.00 26.49 C ATOM 1645 CE LYS A 793 109.267 0.568 36.055 1.00 49.74 C ATOM 1646 NZ LYS A 793 109.228 -0.851 36.574 1.00 56.80 N ATOM 1647 HZ1 LYS A 793 108.257 -1.218 36.504 1.00 0.00 H ATOM 1648 HZ2 LYS A 793 109.866 -1.444 36.006 1.00 0.00 H ATOM 1649 HZ3 LYS A 793 109.534 -0.864 37.568 1.00 0.00 H ATOM 1650 H LYS A 793 105.704 3.182 33.082 1.00 0.00 H ATOM 1651 N PHE A 794 107.509 4.168 29.734 1.00 15.45 N ATOM 1652 CA PHE A 794 107.242 4.190 28.285 1.00 14.29 C ATOM 1653 C PHE A 794 108.555 3.902 27.572 1.00 18.46 C ATOM 1654 O PHE A 794 109.555 4.596 27.782 1.00 18.18 O ATOM 1655 CB PHE A 794 106.761 5.572 27.850 1.00 18.96 C ATOM 1656 CG PHE A 794 105.337 5.893 28.270 1.00 18.89 C ATOM 1657 CD1 PHE A 794 104.250 5.615 27.426 1.00 18.92 C ATOM 1658 CD2 PHE A 794 105.084 6.470 29.514 1.00 22.45 C ATOM 1659 CE1 PHE A 794 102.938 5.926 27.776 1.00 19.23 C ATOM 1660 CE2 PHE A 794 103.769 6.775 29.889 1.00 24.15 C ATOM 1661 CZ PHE A 794 102.695 6.500 29.021 1.00 27.14 C ATOM 1662 H PHE A 794 107.906 5.023 30.173 1.00 0.00 H ATOM 1663 N THR A 795 108.552 2.859 26.747 1.00 14.05 N ATOM 1664 CA THR A 795 109.738 2.472 25.996 1.00 13.91 C ATOM 1665 C THR A 795 109.275 1.960 24.637 1.00 14.28 C ATOM 1666 O THR A 795 108.069 1.812 24.378 1.00 13.09 O ATOM 1667 CB THR A 795 110.408 1.271 26.671 1.00 14.84 C ATOM 1668 OG1 THR A 795 109.579 0.109 26.678 1.00 14.80 O ATOM 1669 CG2 THR A 795 110.895 1.567 28.111 1.00 16.58 C ATOM 1670 HG1 THR A 795 108.742 0.305 27.169 1.00 0.00 H ATOM 1671 H THR A 795 107.679 2.305 26.635 1.00 0.00 H ATOM 1672 N SER A 796 110.215 1.548 23.800 1.00 12.45 N ATOM 1673 CA SER A 796 109.790 0.960 22.535 1.00 12.68 C ATOM 1674 C SER A 796 109.020 -0.316 22.765 1.00 11.84 C ATOM 1675 O SER A 796 108.176 -0.660 21.911 1.00 11.92 O ATOM 1676 CB SER A 796 110.976 0.771 21.609 1.00 14.49 C ATOM 1677 OG SER A 796 111.391 2.084 21.240 1.00 17.68 O ATOM 1678 HG SER A 796 110.646 2.548 20.781 1.00 0.00 H ATOM 1679 H SER A 796 111.223 1.641 24.037 1.00 0.00 H ATOM 1680 N ALA A 797 109.175 -1.000 23.900 1.00 11.52 N ATOM 1681 CA ALA A 797 108.412 -2.204 24.160 1.00 10.77 C ATOM 1682 C ALA A 797 106.986 -1.879 24.540 1.00 11.93 C ATOM 1683 O ALA A 797 106.110 -2.714 24.292 1.00 11.44 O ATOM 1684 CB ALA A 797 109.073 -2.999 25.287 1.00 13.04 C ATOM 1685 H ALA A 797 109.855 -0.663 24.611 1.00 0.00 H ATOM 1686 N SER A 798 106.757 -0.728 25.187 1.00 11.77 N ATOM 1687 CA SER A 798 105.353 -0.352 25.380 1.00 10.00 C ATOM 1688 C SER A 798 104.738 0.113 24.056 1.00 11.06 C ATOM 1689 O SER A 798 103.538 -0.113 23.799 1.00 11.36 O ATOM 1690 CB SER A 798 105.257 0.668 26.551 1.00 12.21 C ATOM 1691 OG SER A 798 105.934 1.864 26.291 1.00 12.83 O ATOM 1692 HG SER A 798 105.548 2.292 25.486 1.00 0.00 H ATOM 1693 H SER A 798 107.535 -0.132 25.534 1.00 0.00 H ATOM 1694 N ASP A 799 105.547 0.697 23.143 1.00 10.52 N ATOM 1695 CA ASP A 799 105.014 0.974 21.809 1.00 10.47 C ATOM 1696 C ASP A 799 104.687 -0.328 21.079 1.00 9.11 C ATOM 1697 O ASP A 799 103.703 -0.332 20.320 1.00 10.61 O ATOM 1698 CB ASP A 799 106.074 1.727 20.989 1.00 10.70 C ATOM 1699 CG ASP A 799 106.130 3.207 21.269 1.00 13.63 C ATOM 1700 OD1 ASP A 799 105.276 3.823 21.946 1.00 13.24 O ATOM 1701 OD2 ASP A 799 107.044 3.859 20.733 1.00 13.57 O ATOM 1702 H ASP A 799 106.528 0.944 23.384 1.00 0.00 H ATOM 1703 N VAL A 800 105.380 -1.436 21.325 1.00 9.21 N ATOM 1704 CA VAL A 800 105.013 -2.702 20.701 1.00 9.97 C ATOM 1705 C VAL A 800 103.654 -3.169 21.184 1.00 10.49 C ATOM 1706 O VAL A 800 102.844 -3.659 20.381 1.00 9.97 O ATOM 1707 CB VAL A 800 106.104 -3.790 20.913 1.00 10.00 C ATOM 1708 CG1 VAL A 800 105.602 -5.213 20.580 1.00 10.14 C ATOM 1709 CG2 VAL A 800 107.343 -3.477 19.975 1.00 9.97 C ATOM 1710 H VAL A 800 106.194 -1.399 21.971 1.00 0.00 H ATOM 1711 N TRP A 801 103.374 -3.012 22.481 1.00 9.22 N ATOM 1712 CA TRP A 801 102.019 -3.338 22.952 1.00 9.32 C ATOM 1713 C TRP A 801 101.006 -2.537 22.137 1.00 9.67 C ATOM 1714 O TRP A 801 99.979 -3.082 21.665 1.00 9.63 O ATOM 1715 CB TRP A 801 101.894 -2.963 24.469 1.00 10.63 C ATOM 1716 CG TRP A 801 100.524 -3.231 25.028 1.00 10.04 C ATOM 1717 CD1 TRP A 801 99.370 -2.526 24.767 1.00 10.87 C ATOM 1718 CD2 TRP A 801 100.171 -4.264 25.958 1.00 9.63 C ATOM 1719 NE1 TRP A 801 98.347 -3.046 25.502 1.00 11.57 N ATOM 1720 CE2 TRP A 801 98.780 -4.154 26.159 1.00 10.26 C ATOM 1721 CE3 TRP A 801 100.879 -5.293 26.570 1.00 12.36 C ATOM 1722 CZ2 TRP A 801 98.099 -4.966 27.045 1.00 13.00 C ATOM 1723 CZ3 TRP A 801 100.191 -6.140 27.460 1.00 13.10 C ATOM 1724 CH2 TRP A 801 98.800 -5.966 27.653 1.00 11.98 C ATOM 1725 HE1 TRP A 801 97.384 -2.656 25.552 1.00 0.00 H ATOM 1726 H TRP A 801 104.098 -2.667 23.143 1.00 0.00 H ATOM 1727 N SER A 802 101.220 -1.234 22.032 1.00 8.71 N ATOM 1728 CA SER A 802 100.308 -0.394 21.276 1.00 10.37 C ATOM 1729 C SER A 802 100.215 -0.855 19.837 1.00 9.07 C ATOM 1730 O SER A 802 99.102 -0.842 19.272 1.00 9.78 O ATOM 1731 CB SER A 802 100.749 1.072 21.247 1.00 11.39 C ATOM 1732 OG SER A 802 100.968 1.560 22.589 1.00 11.02 O ATOM 1733 HG SER A 802 100.128 1.486 23.107 1.00 0.00 H ATOM 1734 H SER A 802 102.048 -0.809 22.495 1.00 0.00 H ATOM 1735 N PHE A 803 101.319 -1.265 19.213 1.00 9.63 N ATOM 1736 CA PHE A 803 101.230 -1.752 17.851 1.00 8.91 C ATOM 1737 C PHE A 803 100.337 -2.964 17.795 1.00 8.59 C ATOM 1738 O PHE A 803 99.602 -3.141 16.819 1.00 10.09 O ATOM 1739 CB PHE A 803 102.639 -2.109 17.383 1.00 10.33 C ATOM 1740 CG PHE A 803 102.614 -2.626 15.956 1.00 9.25 C ATOM 1741 CD1 PHE A 803 102.489 -1.746 14.876 1.00 11.33 C ATOM 1742 CD2 PHE A 803 102.663 -3.993 15.711 1.00 10.20 C ATOM 1743 CE1 PHE A 803 102.412 -2.291 13.513 1.00 10.77 C ATOM 1744 CE2 PHE A 803 102.568 -4.483 14.392 1.00 10.58 C ATOM 1745 CZ PHE A 803 102.462 -3.600 13.337 1.00 10.67 C ATOM 1746 H PHE A 803 102.238 -1.236 19.700 1.00 0.00 H ATOM 1747 N GLY A 804 100.376 -3.845 18.773 1.00 9.28 N ATOM 1748 CA GLY A 804 99.439 -4.970 18.788 1.00 9.18 C ATOM 1749 C GLY A 804 98.002 -4.517 18.744 1.00 8.89 C ATOM 1750 O GLY A 804 97.176 -5.107 18.023 1.00 9.78 O ATOM 1751 H GLY A 804 101.074 -3.741 19.537 1.00 0.00 H ATOM 1752 N ILE A 805 97.658 -3.470 19.509 1.00 8.24 N ATOM 1753 CA ILE A 805 96.290 -2.933 19.435 1.00 8.94 C ATOM 1754 C ILE A 805 96.055 -2.377 18.046 1.00 9.17 C ATOM 1755 O ILE A 805 94.963 -2.586 17.501 1.00 9.12 O ATOM 1756 CB ILE A 805 96.114 -1.843 20.519 1.00 9.33 C ATOM 1757 CG1 ILE A 805 96.468 -2.387 21.959 1.00 13.54 C ATOM 1758 CG2 ILE A 805 94.676 -1.331 20.485 1.00 9.94 C ATOM 1759 CD1 ILE A 805 95.521 -3.483 22.482 1.00 13.01 C ATOM 1760 H ILE A 805 98.354 -3.040 20.151 1.00 0.00 H ATOM 1761 N VAL A 806 97.029 -1.682 17.424 1.00 9.06 N ATOM 1762 CA VAL A 806 96.822 -1.207 16.047 1.00 9.13 C ATOM 1763 C VAL A 806 96.611 -2.365 15.111 1.00 8.45 C ATOM 1764 O VAL A 806 95.751 -2.256 14.223 1.00 9.42 O ATOM 1765 CB VAL A 806 98.059 -0.395 15.630 1.00 9.64 C ATOM 1766 CG1 VAL A 806 97.951 0.006 14.120 1.00 11.36 C ATOM 1767 CG2 VAL A 806 98.098 0.893 16.452 1.00 11.46 C ATOM 1768 H VAL A 806 97.923 -1.482 17.916 1.00 0.00 H ATOM 1769 N MET A 807 97.290 -3.490 15.287 1.00 8.70 N ATOM 1770 CA MET A 807 97.026 -4.634 14.436 1.00 8.77 C ATOM 1771 C MET A 807 95.577 -5.048 14.558 1.00 9.03 C ATOM 1772 O MET A 807 94.906 -5.393 13.544 1.00 9.85 O ATOM 1773 CB MET A 807 97.859 -5.848 14.804 1.00 10.50 C ATOM 1774 CG MET A 807 99.378 -5.648 14.606 1.00 10.73 C ATOM 1775 SD MET A 807 100.353 -7.112 15.160 1.00 12.28 S ATOM 1776 CE MET A 807 99.769 -8.279 13.938 1.00 15.24 C ATOM 1777 H MET A 807 98.011 -3.552 16.034 1.00 0.00 H ATOM 1778 N TRP A 808 95.071 -5.114 15.760 1.00 9.10 N ATOM 1779 CA TRP A 808 93.678 -5.479 15.965 1.00 8.55 C ATOM 1780 C TRP A 808 92.760 -4.427 15.367 1.00 9.10 C ATOM 1781 O TRP A 808 91.744 -4.778 14.723 1.00 9.75 O ATOM 1782 CB TRP A 808 93.465 -5.593 17.497 1.00 8.01 C ATOM 1783 CG TRP A 808 92.134 -6.210 17.845 1.00 8.93 C ATOM 1784 CD1 TRP A 808 91.905 -7.594 18.037 1.00 9.79 C ATOM 1785 CD2 TRP A 808 90.899 -5.554 18.133 1.00 9.18 C ATOM 1786 NE1 TRP A 808 90.547 -7.805 18.364 1.00 9.46 N ATOM 1787 CE2 TRP A 808 89.934 -6.567 18.462 1.00 9.75 C ATOM 1788 CE3 TRP A 808 90.511 -4.201 18.154 1.00 10.14 C ATOM 1789 CZ2 TRP A 808 88.618 -6.229 18.838 1.00 10.41 C ATOM 1790 CZ3 TRP A 808 89.194 -3.896 18.511 1.00 11.05 C ATOM 1791 CH2 TRP A 808 88.287 -4.912 18.822 1.00 11.36 C ATOM 1792 HE1 TRP A 808 90.088 -8.728 18.506 1.00 0.00 H ATOM 1793 H TRP A 808 95.672 -4.903 16.582 1.00 0.00 H ATOM 1794 N GLU A 809 93.030 -3.128 15.548 1.00 9.24 N ATOM 1795 CA GLU A 809 92.252 -2.105 14.829 1.00 9.74 C ATOM 1796 C GLU A 809 92.254 -2.324 13.329 1.00 9.27 C ATOM 1797 O GLU A 809 91.189 -2.164 12.695 1.00 10.41 O ATOM 1798 CB GLU A 809 92.793 -0.707 15.122 1.00 10.47 C ATOM 1799 CG GLU A 809 92.645 -0.273 16.594 1.00 12.33 C ATOM 1800 CD GLU A 809 93.097 1.157 16.718 1.00 11.94 C ATOM 1801 OE1 GLU A 809 92.297 2.106 16.595 1.00 14.22 O ATOM 1802 OE2 GLU A 809 94.359 1.418 16.838 1.00 11.28 O ATOM 1803 H GLU A 809 93.790 -2.841 16.197 1.00 0.00 H ATOM 1804 N VAL A 810 93.382 -2.603 12.727 1.00 9.28 N ATOM 1805 CA VAL A 810 93.414 -2.746 11.276 1.00 9.22 C ATOM 1806 C VAL A 810 92.584 -3.946 10.867 1.00 11.07 C ATOM 1807 O VAL A 810 91.739 -3.846 9.952 1.00 10.87 O ATOM 1808 CB VAL A 810 94.859 -2.842 10.816 1.00 9.03 C ATOM 1809 CG1 VAL A 810 94.845 -3.277 9.340 1.00 11.36 C ATOM 1810 CG2 VAL A 810 95.456 -1.412 10.947 1.00 13.31 C ATOM 1811 H VAL A 810 94.253 -2.722 13.282 1.00 0.00 H ATOM 1812 N MET A 811 92.783 -5.091 11.515 1.00 9.56 N ATOM 1813 CA MET A 811 92.139 -6.310 11.060 1.00 10.51 C ATOM 1814 C MET A 811 90.650 -6.269 11.298 1.00 11.81 C ATOM 1815 O MET A 811 89.954 -7.095 10.679 1.00 13.70 O ATOM 1816 CB MET A 811 92.734 -7.534 11.743 1.00 12.17 C ATOM 1817 CG MET A 811 94.252 -7.731 11.447 1.00 13.43 C ATOM 1818 SD MET A 811 94.768 -7.647 9.693 1.00 12.93 S ATOM 1819 CE MET A 811 93.911 -9.072 9.042 1.00 16.54 C ATOM 1820 H MET A 811 93.402 -5.113 12.350 1.00 0.00 H ATOM 1821 N THR A 812 90.164 -5.432 12.201 1.00 9.86 N ATOM 1822 CA THR A 812 88.736 -5.260 12.447 1.00 9.82 C ATOM 1823 C THR A 812 88.144 -4.067 11.720 1.00 10.79 C ATOM 1824 O THR A 812 86.954 -3.792 11.916 1.00 12.49 O ATOM 1825 CB THR A 812 88.454 -5.053 13.941 1.00 10.75 C ATOM 1826 OG1 THR A 812 89.103 -3.831 14.388 1.00 10.59 O ATOM 1827 CG2 THR A 812 88.870 -6.298 14.793 1.00 11.89 C ATOM 1828 HG1 THR A 812 90.079 -3.905 14.242 1.00 0.00 H ATOM 1829 H THR A 812 90.833 -4.869 12.763 1.00 0.00 H ATOM 1830 N TYR A 813 88.904 -3.404 10.871 1.00 11.36 N ATOM 1831 CA TYR A 813 88.403 -2.196 10.188 1.00 10.62 C ATOM 1832 C TYR A 813 87.982 -1.127 11.160 1.00 11.96 C ATOM 1833 O TYR A 813 86.956 -0.446 10.986 1.00 12.87 O ATOM 1834 CB TYR A 813 87.267 -2.454 9.158 1.00 11.93 C ATOM 1835 CG TYR A 813 87.731 -3.215 7.960 1.00 11.66 C ATOM 1836 CD1 TYR A 813 88.204 -2.546 6.808 1.00 13.42 C ATOM 1837 CD2 TYR A 813 87.797 -4.604 7.973 1.00 13.49 C ATOM 1838 CE1 TYR A 813 88.618 -3.273 5.706 1.00 12.72 C ATOM 1839 CE2 TYR A 813 88.243 -5.325 6.846 1.00 15.30 C ATOM 1840 CZ TYR A 813 88.633 -4.604 5.724 1.00 14.24 C ATOM 1841 OH TYR A 813 89.060 -5.219 4.568 1.00 16.93 O ATOM 1842 HH TYR A 813 88.337 -5.798 4.217 1.00 0.00 H ATOM 1843 H TYR A 813 89.870 -3.737 10.680 1.00 0.00 H ATOM 1844 N GLY A 814 88.792 -0.943 12.192 1.00 12.45 N ATOM 1845 CA GLY A 814 88.569 0.191 13.040 1.00 12.71 C ATOM 1846 C GLY A 814 87.583 -0.040 14.159 1.00 9.93 C ATOM 1847 O GLY A 814 86.967 0.909 14.673 1.00 11.76 O ATOM 1848 H GLY A 814 89.571 -1.605 12.382 1.00 0.00 H ATOM 1849 N GLU A 815 87.428 -1.291 14.625 1.00 11.31 N ATOM 1850 CA GLU A 815 86.625 -1.496 15.822 1.00 10.94 C ATOM 1851 C GLU A 815 87.292 -0.827 17.036 1.00 11.37 C ATOM 1852 O GLU A 815 88.521 -0.746 17.131 1.00 11.66 O ATOM 1853 CB GLU A 815 86.553 -3.018 16.075 1.00 13.69 C ATOM 1854 CG GLU A 815 85.468 -3.479 17.052 1.00 15.26 C ATOM 1855 CD GLU A 815 84.050 -3.534 16.442 1.00 15.79 C ATOM 1856 OE1 GLU A 815 83.814 -3.272 15.256 1.00 15.73 O ATOM 1857 OE2 GLU A 815 83.173 -3.834 17.239 1.00 19.25 O ATOM 1858 H GLU A 815 87.873 -2.096 14.140 1.00 0.00 H ATOM 1859 N ARG A 816 86.509 -0.348 17.944 1.00 12.41 N ATOM 1860 CA ARG A 816 87.025 0.265 19.158 1.00 14.25 C ATOM 1861 C ARG A 816 87.542 -0.797 20.117 1.00 13.68 C ATOM 1862 O ARG A 816 86.786 -1.687 20.515 1.00 16.01 O ATOM 1863 CB ARG A 816 85.971 1.095 19.823 1.00 17.24 C ATOM 1864 CG ARG A 816 86.453 1.714 21.093 1.00 22.45 C ATOM 1865 CD ARG A 816 85.417 2.715 21.549 1.00 34.68 C ATOM 1866 NE ARG A 816 85.757 3.175 22.883 1.00 36.05 N ATOM 1867 CZ ARG A 816 86.698 4.065 23.120 1.00 28.44 C ATOM 1868 NH1 ARG A 816 87.372 4.606 22.108 1.00 38.88 N ATOM 1869 NH2 ARG A 816 86.947 4.438 24.374 1.00 43.27 N ATOM 1870 HE ARG A 816 85.232 2.783 23.691 1.00 0.00 H ATOM 1871 HH12 ARG A 816 88.115 5.309 22.295 1.00 0.00 H ATOM 1872 HH11 ARG A 816 87.155 4.326 21.130 1.00 0.00 H ATOM 1873 HH22 ARG A 816 87.688 5.140 24.570 1.00 0.00 H ATOM 1874 HH21 ARG A 816 86.400 4.027 25.157 1.00 0.00 H ATOM 1875 H ARG A 816 85.480 -0.402 17.803 1.00 0.00 H ATOM 1876 N PRO A 817 88.847 -0.788 20.436 1.00 13.40 N ATOM 1877 CA PRO A 817 89.390 -1.795 21.358 1.00 14.66 C ATOM 1878 C PRO A 817 88.592 -1.875 22.663 1.00 13.40 C ATOM 1879 O PRO A 817 88.323 -0.850 23.309 1.00 13.54 O ATOM 1880 CB PRO A 817 90.825 -1.289 21.614 1.00 14.83 C ATOM 1881 CG PRO A 817 91.198 -0.461 20.348 1.00 16.30 C ATOM 1882 CD PRO A 817 89.854 0.205 20.027 1.00 13.78 C ATOM 1883 N TYR A 818 88.219 -3.092 23.034 1.00 13.01 N ATOM 1884 CA TYR A 818 87.541 -3.371 24.310 1.00 13.30 C ATOM 1885 C TYR A 818 86.107 -2.868 24.376 1.00 15.66 C ATOM 1886 O TYR A 818 85.484 -2.952 25.445 1.00 15.71 O ATOM 1887 CB TYR A 818 88.344 -2.944 25.572 1.00 13.64 C ATOM 1888 CG TYR A 818 89.790 -3.414 25.574 1.00 12.08 C ATOM 1889 CD1 TYR A 818 90.131 -4.684 26.038 1.00 11.33 C ATOM 1890 CD2 TYR A 818 90.763 -2.587 25.024 1.00 11.46 C ATOM 1891 CE1 TYR A 818 91.462 -5.095 25.989 1.00 12.73 C ATOM 1892 CE2 TYR A 818 92.114 -2.992 25.031 1.00 11.00 C ATOM 1893 CZ TYR A 818 92.395 -4.240 25.478 1.00 12.01 C ATOM 1894 OH TYR A 818 93.743 -4.664 25.478 1.00 11.78 O ATOM 1895 HH TYR A 818 94.277 -4.061 26.053 1.00 0.00 H ATOM 1896 H TYR A 818 88.415 -3.887 22.393 1.00 0.00 H ATOM 1897 N TRP A 819 85.590 -2.357 23.268 1.00 16.12 N ATOM 1898 CA TRP A 819 84.122 -2.065 23.175 1.00 16.88 C ATOM 1899 C TRP A 819 83.696 -1.205 24.364 1.00 21.94 C ATOM 1900 O TRP A 819 84.330 -0.171 24.642 1.00 23.03 O ATOM 1901 CB TRP A 819 83.332 -3.356 23.045 1.00 17.29 C ATOM 1902 CG TRP A 819 83.662 -4.032 21.875 1.00 19.29 C ATOM 1903 CD1 TRP A 819 83.268 -3.700 20.610 1.00 24.01 C ATOM 1904 CD2 TRP A 819 84.446 -5.195 21.768 1.00 18.57 C ATOM 1905 NE1 TRP A 819 83.792 -4.594 19.722 1.00 20.67 N ATOM 1906 CE2 TRP A 819 84.507 -5.541 20.402 1.00 18.10 C ATOM 1907 CE3 TRP A 819 85.101 -5.997 22.699 1.00 20.00 C ATOM 1908 CZ2 TRP A 819 85.179 -6.646 19.944 1.00 22.61 C ATOM 1909 CZ3 TRP A 819 85.810 -7.127 22.226 1.00 27.45 C ATOM 1910 CH2 TRP A 819 85.850 -7.422 20.877 1.00 22.82 C ATOM 1911 HE1 TRP A 819 83.667 -4.560 18.690 1.00 0.00 H ATOM 1912 H TRP A 819 86.208 -2.157 22.456 1.00 0.00 H ATOM 1913 N GLU A 820 82.636 -1.588 25.102 1.00 20.25 N ATOM 1914 CA GLU A 820 82.059 -0.695 26.080 1.00 22.67 C ATOM 1915 C GLU A 820 82.763 -0.683 27.429 1.00 25.85 C ATOM 1916 O GLU A 820 82.362 0.099 28.295 1.00 25.86 O ATOM 1917 CB GLU A 820 80.565 -1.035 26.257 1.00 22.27 C ATOM 1918 CG GLU A 820 80.294 -2.298 26.994 1.00 19.54 C ATOM 1919 CD GLU A 820 80.384 -3.561 26.166 1.00 27.41 C ATOM 1920 OE1 GLU A 820 80.625 -3.464 24.936 1.00 24.08 O ATOM 1921 OE2 GLU A 820 80.231 -4.659 26.772 1.00 29.82 O ATOM 1922 H GLU A 820 82.229 -2.536 24.966 1.00 0.00 H ATOM 1923 N LEU A 821 83.832 -1.475 27.626 1.00 18.33 N ATOM 1924 CA LEU A 821 84.489 -1.502 28.927 1.00 19.87 C ATOM 1925 C LEU A 821 84.994 -0.117 29.241 1.00 19.56 C ATOM 1926 O LEU A 821 85.492 0.594 28.346 1.00 21.77 O ATOM 1927 CB LEU A 821 85.733 -2.381 28.842 1.00 17.75 C ATOM 1928 CG LEU A 821 85.451 -3.832 29.053 1.00 18.83 C ATOM 1929 CD1 LEU A 821 84.413 -4.425 28.116 1.00 33.40 C ATOM 1930 CD2 LEU A 821 86.725 -4.696 29.135 1.00 22.36 C ATOM 1931 H LEU A 821 84.190 -2.068 26.850 1.00 0.00 H ATOM 1932 N SER A 822 84.923 0.225 30.540 1.00 21.15 N ATOM 1933 CA SER A 822 85.541 1.456 30.990 1.00 24.09 C ATOM 1934 C SER A 822 87.056 1.276 31.076 1.00 22.75 C ATOM 1935 O SER A 822 87.592 0.165 31.023 1.00 19.10 O ATOM 1936 CB SER A 822 85.055 1.795 32.395 1.00 22.26 C ATOM 1937 OG SER A 822 85.562 0.895 33.364 1.00 25.12 O ATOM 1938 HG SER A 822 85.223 1.150 34.259 1.00 0.00 H ATOM 1939 H SER A 822 84.428 -0.390 31.217 1.00 0.00 H ATOM 1940 N ASN A 823 87.759 2.407 31.196 1.00 25.42 N ATOM 1941 CA ASN A 823 89.207 2.337 31.408 1.00 22.12 C ATOM 1942 C ASN A 823 89.573 1.393 32.561 1.00 20.38 C ATOM 1943 O ASN A 823 90.492 0.578 32.447 1.00 21.04 O ATOM 1944 CB ASN A 823 89.758 3.745 31.675 1.00 25.65 C ATOM 1945 CG ASN A 823 89.905 4.573 30.391 1.00 31.09 C ATOM 1946 OD1 ASN A 823 89.790 4.051 29.285 1.00 28.28 O ATOM 1947 ND2 ASN A 823 90.176 5.866 30.544 1.00 37.38 N ATOM 1948 HD22 ASN A 823 90.265 6.269 31.498 1.00 0.00 H ATOM 1949 HD21 ASN A 823 90.299 6.474 29.709 1.00 0.00 H ATOM 1950 H ASN A 823 87.282 3.329 31.139 1.00 0.00 H ATOM 1951 N HIS A 824 88.903 1.514 33.727 1.00 21.87 N ATOM 1952 CA HIS A 824 89.302 0.650 34.824 1.00 20.36 C ATOM 1953 C HIS A 824 88.964 -0.810 34.544 1.00 18.17 C ATOM 1954 O HIS A 824 89.644 -1.697 35.019 1.00 20.07 O ATOM 1955 CB HIS A 824 88.650 1.130 36.134 1.00 30.40 C ATOM 1956 CG HIS A 824 89.158 2.468 36.585 1.00 26.30 C ATOM 1957 ND1 HIS A 824 88.403 3.341 37.344 1.00 40.94 N ATOM 1958 CD2 HIS A 824 90.355 3.076 36.391 1.00 34.01 C ATOM 1959 CE1 HIS A 824 89.104 4.440 37.571 1.00 32.15 C ATOM 1960 NE2 HIS A 824 90.299 4.297 37.024 1.00 39.97 N ATOM 1961 H HIS A 824 88.130 2.201 33.836 1.00 0.00 H ATOM 1962 N GLU A 825 87.874 -1.063 33.823 1.00 18.70 N ATOM 1963 CA GLU A 825 87.565 -2.423 33.385 1.00 18.19 C ATOM 1964 C GLU A 825 88.595 -2.955 32.385 1.00 15.23 C ATOM 1965 O GLU A 825 88.885 -4.146 32.400 1.00 15.66 O ATOM 1966 CB GLU A 825 86.206 -2.443 32.716 1.00 16.88 C ATOM 1967 CG GLU A 825 85.081 -2.255 33.789 1.00 24.97 C ATOM 1968 CD GLU A 825 83.712 -2.284 33.170 1.00 26.99 C ATOM 1969 OE1 GLU A 825 83.481 -1.579 32.168 1.00 24.53 O ATOM 1970 OE2 GLU A 825 82.863 -3.025 33.710 1.00 47.85 O ATOM 1971 H GLU A 825 87.234 -0.284 33.568 1.00 0.00 H ATOM 1972 N VAL A 826 89.089 -2.099 31.483 1.00 17.35 N ATOM 1973 CA VAL A 826 90.177 -2.559 30.593 1.00 16.52 C ATOM 1974 C VAL A 826 91.391 -2.935 31.415 1.00 16.38 C ATOM 1975 O VAL A 826 91.963 -4.001 31.240 1.00 16.38 O ATOM 1976 CB VAL A 826 90.517 -1.488 29.557 1.00 15.14 C ATOM 1977 CG1 VAL A 826 91.716 -1.928 28.707 1.00 16.24 C ATOM 1978 CG2 VAL A 826 89.346 -1.234 28.625 1.00 17.90 C ATOM 1979 H VAL A 826 88.716 -1.131 31.409 1.00 0.00 H ATOM 1980 N MET A 827 91.748 -2.095 32.400 1.00 17.20 N ATOM 1981 CA MET A 827 92.879 -2.431 33.257 1.00 18.19 C ATOM 1982 C MET A 827 92.624 -3.703 34.042 1.00 17.04 C ATOM 1983 O MET A 827 93.487 -4.574 34.159 1.00 17.12 O ATOM 1984 CB MET A 827 93.187 -1.267 34.189 1.00 21.99 C ATOM 1985 CG MET A 827 93.661 -0.001 33.482 1.00 22.57 C ATOM 1986 SD MET A 827 93.775 1.329 34.712 1.00 28.27 S ATOM 1987 CE MET A 827 95.174 0.669 35.694 1.00 31.46 C ATOM 1988 H MET A 827 91.221 -1.211 32.551 1.00 0.00 H ATOM 1989 N LYS A 828 91.401 -3.848 34.543 1.00 16.78 N ATOM 1990 CA LYS A 828 91.048 -5.074 35.252 1.00 17.01 C ATOM 1991 C LYS A 828 91.224 -6.282 34.345 1.00 19.23 C ATOM 1992 O LYS A 828 91.834 -7.280 34.717 1.00 16.98 O ATOM 1993 CB LYS A 828 89.602 -4.965 35.753 1.00 14.67 C ATOM 1994 CG LYS A 828 89.145 -6.235 36.391 1.00 16.86 C ATOM 1995 CD LYS A 828 87.800 -6.023 37.138 1.00 18.26 C ATOM 1996 CE LYS A 828 86.655 -5.687 36.224 1.00 28.64 C ATOM 1997 NZ LYS A 828 85.383 -5.614 37.062 1.00 35.69 N ATOM 1998 HZ1 LYS A 828 85.218 -6.533 37.520 1.00 0.00 H ATOM 1999 HZ2 LYS A 828 85.490 -4.877 37.788 1.00 0.00 H ATOM 2000 HZ3 LYS A 828 84.577 -5.382 36.447 1.00 0.00 H ATOM 2001 H LYS A 828 90.698 -3.090 34.430 1.00 0.00 H ATOM 2002 N ALA A 829 90.675 -6.211 33.125 1.00 16.67 N ATOM 2003 CA ALA A 829 90.734 -7.381 32.245 1.00 15.60 C ATOM 2004 C ALA A 829 92.168 -7.742 31.862 1.00 14.63 C ATOM 2005 O ALA A 829 92.561 -8.914 31.939 1.00 16.63 O ATOM 2006 CB ALA A 829 89.971 -7.018 30.955 1.00 17.06 C ATOM 2007 H ALA A 829 90.212 -5.336 32.806 1.00 0.00 H ATOM 2008 N ILE A 830 92.941 -6.730 31.459 1.00 14.63 N ATOM 2009 CA ILE A 830 94.329 -6.985 31.053 1.00 15.24 C ATOM 2010 C ILE A 830 95.135 -7.587 32.194 1.00 23.29 C ATOM 2011 O ILE A 830 95.835 -8.580 32.005 1.00 19.56 O ATOM 2012 CB ILE A 830 94.982 -5.726 30.484 1.00 17.11 C ATOM 2013 CG1 ILE A 830 94.335 -5.390 29.118 1.00 19.28 C ATOM 2014 CG2 ILE A 830 96.520 -5.947 30.404 1.00 25.60 C ATOM 2015 CD1 ILE A 830 94.523 -6.459 28.086 1.00 25.87 C ATOM 2016 H ILE A 830 92.560 -5.763 31.433 1.00 0.00 H ATOM 2017 N ASN A 831 94.961 -7.062 33.406 1.00 19.79 N ATOM 2018 CA ASN A 831 95.744 -7.577 34.526 1.00 23.75 C ATOM 2019 C ASN A 831 95.299 -8.966 34.960 1.00 20.67 C ATOM 2020 O ASN A 831 96.098 -9.690 35.560 1.00 24.04 O ATOM 2021 CB ASN A 831 95.836 -6.522 35.614 1.00 27.18 C ATOM 2022 CG ASN A 831 96.728 -5.342 35.190 1.00 44.75 C ATOM 2023 OD1 ASN A 831 97.722 -5.521 34.468 1.00 47.49 O ATOM 2024 ND2 ASN A 831 96.375 -4.139 35.628 1.00 52.77 N ATOM 2025 HD22 ASN A 831 95.535 -4.031 36.231 1.00 0.00 H ATOM 2026 HD21 ASN A 831 96.939 -3.305 35.368 1.00 0.00 H ATOM 2027 H ASN A 831 94.275 -6.294 33.553 1.00 0.00 H ATOM 2028 N ASP A 832 94.092 -9.403 34.597 1.00 18.63 N ATOM 2029 CA ASP A 832 93.670 -10.770 34.822 1.00 21.77 C ATOM 2030 C ASP A 832 94.089 -11.701 33.697 1.00 20.78 C ATOM 2031 O ASP A 832 93.758 -12.891 33.739 1.00 22.63 O ATOM 2032 CB ASP A 832 92.140 -10.848 34.952 1.00 20.95 C ATOM 2033 CG ASP A 832 91.620 -10.632 36.400 1.00 29.68 C ATOM 2034 OD1 ASP A 832 92.443 -10.603 37.358 1.00 27.49 O ATOM 2035 OD2 ASP A 832 90.368 -10.505 36.557 1.00 31.41 O ATOM 2036 H ASP A 832 93.434 -8.741 34.138 1.00 0.00 H ATOM 2037 N GLY A 833 94.738 -11.167 32.644 1.00 22.40 N ATOM 2038 CA GLY A 833 95.133 -11.992 31.512 1.00 22.55 C ATOM 2039 C GLY A 833 94.166 -12.034 30.335 1.00 17.80 C ATOM 2040 O GLY A 833 94.419 -12.799 29.375 1.00 21.54 O ATOM 2041 H GLY A 833 94.960 -10.151 32.640 1.00 0.00 H ATOM 2042 N PHE A 834 93.083 -11.280 30.371 1.00 16.66 N ATOM 2043 CA PHE A 834 92.211 -11.210 29.207 1.00 15.91 C ATOM 2044 C PHE A 834 92.974 -10.479 28.108 1.00 17.21 C ATOM 2045 O PHE A 834 93.700 -9.524 28.364 1.00 15.09 O ATOM 2046 CB PHE A 834 90.945 -10.396 29.501 1.00 16.99 C ATOM 2047 CG PHE A 834 90.100 -10.087 28.263 1.00 18.51 C ATOM 2048 CD1 PHE A 834 89.140 -11.003 27.828 1.00 24.91 C ATOM 2049 CD2 PHE A 834 90.231 -8.865 27.576 1.00 19.97 C ATOM 2050 CE1 PHE A 834 88.357 -10.748 26.710 1.00 25.27 C ATOM 2051 CE2 PHE A 834 89.433 -8.589 26.455 1.00 19.38 C ATOM 2052 CZ PHE A 834 88.487 -9.544 26.025 1.00 24.80 C ATOM 2053 H PHE A 834 92.853 -10.738 31.228 1.00 0.00 H ATOM 2054 N ARG A 835 92.723 -10.895 26.850 1.00 14.32 N ATOM 2055 CA ARG A 835 93.239 -10.161 25.705 1.00 13.53 C ATOM 2056 C ARG A 835 92.128 -10.050 24.685 1.00 14.12 C ATOM 2057 O ARG A 835 91.211 -10.881 24.647 1.00 15.77 O ATOM 2058 CB ARG A 835 94.452 -10.901 25.109 1.00 13.40 C ATOM 2059 CG ARG A 835 95.678 -10.957 26.048 1.00 12.40 C ATOM 2060 CD ARG A 835 96.223 -9.614 26.314 1.00 13.76 C ATOM 2061 NE ARG A 835 97.462 -9.658 27.127 1.00 13.58 N ATOM 2062 CZ ARG A 835 97.508 -9.516 28.459 1.00 14.33 C ATOM 2063 NH1 ARG A 835 96.405 -9.433 29.202 1.00 17.18 N ATOM 2064 NH2 ARG A 835 98.715 -9.481 29.020 1.00 16.28 N ATOM 2065 HE ARG A 835 98.361 -9.810 26.627 1.00 0.00 H ATOM 2066 HH12 ARG A 835 96.480 -9.323 30.233 1.00 0.00 H ATOM 2067 HH11 ARG A 835 95.469 -9.478 28.750 1.00 0.00 H ATOM 2068 HH22 ARG A 835 98.807 -9.372 30.050 1.00 0.00 H ATOM 2069 HH21 ARG A 835 99.566 -9.562 28.428 1.00 0.00 H ATOM 2070 H ARG A 835 92.153 -11.751 26.697 1.00 0.00 H ATOM 2071 N LEU A 836 92.266 -9.051 23.779 1.00 11.31 N ATOM 2072 CA LEU A 836 91.274 -8.881 22.725 1.00 12.04 C ATOM 2073 C LEU A 836 91.136 -10.173 21.931 1.00 11.75 C ATOM 2074 O LEU A 836 92.131 -10.829 21.649 1.00 13.15 O ATOM 2075 CB LEU A 836 91.689 -7.700 21.835 1.00 13.15 C ATOM 2076 CG LEU A 836 91.586 -6.298 22.484 1.00 13.84 C ATOM 2077 CD1 LEU A 836 92.260 -5.220 21.608 1.00 16.53 C ATOM 2078 CD2 LEU A 836 90.075 -5.982 22.643 1.00 14.61 C ATOM 2079 H LEU A 836 93.080 -8.406 23.836 1.00 0.00 H ATOM 2080 N PRO A 837 89.910 -10.558 21.579 1.00 13.34 N ATOM 2081 CA PRO A 837 89.700 -11.812 20.861 1.00 12.71 C ATOM 2082 C PRO A 837 90.055 -11.650 19.385 1.00 11.59 C ATOM 2083 O PRO A 837 90.263 -10.532 18.874 1.00 12.88 O ATOM 2084 CB PRO A 837 88.181 -12.017 21.031 1.00 14.99 C ATOM 2085 CG PRO A 837 87.641 -10.682 21.025 1.00 15.93 C ATOM 2086 CD PRO A 837 88.648 -9.860 21.869 1.00 15.67 C ATOM 2087 N THR A 838 90.097 -12.781 18.690 1.00 14.27 N ATOM 2088 CA THR A 838 90.467 -12.709 17.283 1.00 14.51 C ATOM 2089 C THR A 838 89.486 -11.844 16.496 1.00 12.65 C ATOM 2090 O THR A 838 88.258 -11.921 16.675 1.00 13.61 O ATOM 2091 CB THR A 838 90.585 -14.066 16.577 1.00 19.34 C ATOM 2092 OG1 THR A 838 91.368 -14.966 17.370 1.00 38.53 O ATOM 2093 CG2 THR A 838 91.279 -13.820 15.234 1.00 11.38 C ATOM 2094 HG1 THR A 838 91.438 -15.838 16.906 1.00 0.00 H ATOM 2095 H THR A 838 89.872 -13.692 19.138 1.00 0.00 H ATOM 2096 N PRO A 839 89.981 -11.044 15.572 1.00 11.64 N ATOM 2097 CA PRO A 839 89.089 -10.421 14.574 1.00 13.05 C ATOM 2098 C PRO A 839 88.509 -11.504 13.681 1.00 15.56 C ATOM 2099 O PRO A 839 89.025 -12.620 13.557 1.00 15.61 O ATOM 2100 CB PRO A 839 90.061 -9.548 13.748 1.00 14.18 C ATOM 2101 CG PRO A 839 91.261 -9.258 14.713 1.00 14.20 C ATOM 2102 CD PRO A 839 91.380 -10.573 15.497 1.00 11.07 C ATOM 2103 N MET A 840 87.428 -11.130 13.001 1.00 15.05 N ATOM 2104 CA MET A 840 86.863 -12.030 11.999 1.00 15.18 C ATOM 2105 C MET A 840 87.796 -12.163 10.812 1.00 14.87 C ATOM 2106 O MET A 840 88.421 -11.186 10.389 1.00 17.50 O ATOM 2107 CB MET A 840 85.554 -11.411 11.467 1.00 19.22 C ATOM 2108 CG MET A 840 84.546 -10.998 12.531 1.00 23.80 C ATOM 2109 SD MET A 840 82.920 -10.530 11.775 1.00 32.53 S ATOM 2110 CE MET A 840 81.944 -9.972 13.211 1.00 30.89 C ATOM 2111 H MET A 840 86.989 -10.205 13.182 1.00 0.00 H ATOM 2112 N ASP A 841 87.879 -13.406 10.300 1.00 21.11 N ATOM 2113 CA ASP A 841 88.675 -13.751 9.122 1.00 24.34 C ATOM 2114 C ASP A 841 90.137 -13.345 9.263 1.00 19.30 C ATOM 2115 O ASP A 841 90.765 -12.837 8.326 1.00 23.67 O ATOM 2116 CB ASP A 841 88.065 -13.188 7.832 1.00 31.70 C ATOM 2117 CG ASP A 841 86.657 -13.726 7.577 1.00 39.51 C ATOM 2118 OD1 ASP A 841 86.362 -14.900 7.925 1.00 46.20 O ATOM 2119 OD2 ASP A 841 85.848 -12.959 7.057 1.00 46.73 O ATOM 2120 H ASP A 841 87.346 -14.165 10.770 1.00 0.00 H ATOM 2121 N CYS A 842 90.662 -13.476 10.482 1.00 17.39 N ATOM 2122 CA CYS A 842 92.035 -13.055 10.702 1.00 14.93 C ATOM 2123 C CYS A 842 92.972 -14.252 10.560 1.00 14.42 C ATOM 2124 O CYS A 842 92.737 -15.299 11.192 1.00 14.49 O ATOM 2125 CB CYS A 842 92.114 -12.562 12.151 1.00 15.83 C ATOM 2126 SG CYS A 842 93.716 -11.797 12.568 1.00 15.39 S ATOM 2127 H CYS A 842 90.099 -13.872 11.261 1.00 0.00 H ATOM 2128 N PRO A 843 94.050 -14.130 9.798 1.00 12.84 N ATOM 2129 CA PRO A 843 95.091 -15.164 9.771 1.00 12.17 C ATOM 2130 C PRO A 843 95.587 -15.522 11.168 1.00 11.97 C ATOM 2131 O PRO A 843 95.821 -14.651 12.002 1.00 13.44 O ATOM 2132 CB PRO A 843 96.207 -14.548 8.892 1.00 13.32 C ATOM 2133 CG PRO A 843 95.419 -13.564 8.017 1.00 14.80 C ATOM 2134 CD PRO A 843 94.405 -12.978 8.951 1.00 13.80 C ATOM 2135 N SER A 844 95.686 -16.827 11.411 1.00 12.29 N ATOM 2136 CA SER A 844 96.203 -17.276 12.683 1.00 12.04 C ATOM 2137 C SER A 844 97.556 -16.653 12.978 1.00 12.92 C ATOM 2138 O SER A 844 97.808 -16.269 14.119 1.00 13.37 O ATOM 2139 CB SER A 844 96.297 -18.817 12.676 1.00 14.90 C ATOM 2140 OG SER A 844 96.865 -19.235 13.913 1.00 18.22 O ATOM 2141 HG SER A 844 97.767 -18.839 14.011 1.00 0.00 H ATOM 2142 H SER A 844 95.393 -17.518 10.691 1.00 0.00 H ATOM 2143 N ALA A 845 98.440 -16.537 11.984 1.00 12.81 N ATOM 2144 CA ALA A 845 99.746 -16.013 12.279 1.00 12.82 C ATOM 2145 C ALA A 845 99.673 -14.568 12.731 1.00 12.35 C ATOM 2146 O ALA A 845 100.482 -14.135 13.568 1.00 13.21 O ATOM 2147 CB ALA A 845 100.591 -16.069 10.994 1.00 14.19 C ATOM 2148 H ALA A 845 98.189 -16.820 11.015 1.00 0.00 H ATOM 2149 N ILE A 846 98.745 -13.803 12.154 1.00 11.97 N ATOM 2150 CA ILE A 846 98.578 -12.404 12.536 1.00 11.91 C ATOM 2151 C ILE A 846 98.022 -12.292 13.963 1.00 12.27 C ATOM 2152 O ILE A 846 98.474 -11.442 14.756 1.00 11.72 O ATOM 2153 CB ILE A 846 97.692 -11.693 11.483 1.00 10.39 C ATOM 2154 CG1 ILE A 846 98.397 -11.645 10.124 1.00 12.01 C ATOM 2155 CG2 ILE A 846 97.348 -10.265 11.912 1.00 12.59 C ATOM 2156 CD1 ILE A 846 99.697 -10.875 10.127 1.00 13.01 C ATOM 2157 H ILE A 846 98.131 -14.210 11.420 1.00 0.00 H ATOM 2158 N TYR A 847 97.010 -13.096 14.302 1.00 12.23 N ATOM 2159 CA TYR A 847 96.564 -13.062 15.689 1.00 10.89 C ATOM 2160 C TYR A 847 97.637 -13.514 16.666 1.00 11.51 C ATOM 2161 O TYR A 847 97.735 -12.933 17.753 1.00 11.66 O ATOM 2162 CB TYR A 847 95.295 -13.940 15.822 1.00 12.09 C ATOM 2163 CG TYR A 847 94.648 -13.765 17.183 1.00 11.37 C ATOM 2164 CD1 TYR A 847 94.215 -12.513 17.597 1.00 11.80 C ATOM 2165 CD2 TYR A 847 94.517 -14.844 18.084 1.00 12.74 C ATOM 2166 CE1 TYR A 847 93.624 -12.298 18.890 1.00 13.33 C ATOM 2167 CE2 TYR A 847 93.901 -14.631 19.362 1.00 14.92 C ATOM 2168 CZ TYR A 847 93.497 -13.389 19.718 1.00 13.84 C ATOM 2169 OH TYR A 847 92.881 -13.234 20.948 1.00 15.32 O ATOM 2170 HH TYR A 847 92.640 -12.283 21.077 1.00 0.00 H ATOM 2171 H TYR A 847 96.559 -13.721 13.604 1.00 0.00 H ATOM 2172 N GLN A 848 98.385 -14.573 16.344 1.00 12.89 N ATOM 2173 CA GLN A 848 99.479 -14.985 17.226 1.00 12.32 C ATOM 2174 C GLN A 848 100.460 -13.844 17.445 1.00 10.90 C ATOM 2175 O GLN A 848 100.957 -13.647 18.557 1.00 13.35 O ATOM 2176 CB GLN A 848 100.223 -16.184 16.622 1.00 13.88 C ATOM 2177 CG GLN A 848 99.392 -17.507 16.649 1.00 15.85 C ATOM 2178 CD GLN A 848 100.144 -18.574 15.975 1.00 18.04 C ATOM 2179 OE1 GLN A 848 101.281 -18.854 16.343 1.00 21.43 O ATOM 2180 NE2 GLN A 848 99.584 -19.137 14.936 1.00 19.62 N ATOM 2181 HE22 GLN A 848 98.618 -18.871 14.658 1.00 0.00 H ATOM 2182 HE21 GLN A 848 100.105 -19.851 14.388 1.00 0.00 H ATOM 2183 H GLN A 848 98.191 -15.103 15.470 1.00 0.00 H ATOM 2184 N LEU A 849 100.740 -13.062 16.402 1.00 11.27 N ATOM 2185 CA LEU A 849 101.703 -11.997 16.552 1.00 11.79 C ATOM 2186 C LEU A 849 101.152 -10.906 17.430 1.00 10.97 C ATOM 2187 O LEU A 849 101.875 -10.394 18.306 1.00 11.38 O ATOM 2188 CB LEU A 849 102.112 -11.477 15.150 1.00 13.54 C ATOM 2189 CG LEU A 849 103.093 -10.303 15.143 1.00 12.47 C ATOM 2190 CD1 LEU A 849 104.395 -10.740 15.788 1.00 14.44 C ATOM 2191 CD2 LEU A 849 103.329 -9.927 13.682 1.00 14.87 C ATOM 2192 H LEU A 849 100.269 -13.218 15.488 1.00 0.00 H ATOM 2193 N MET A 850 99.863 -10.512 17.230 1.00 10.70 N ATOM 2194 CA MET A 850 99.348 -9.474 18.135 1.00 13.26 C ATOM 2195 C MET A 850 99.294 -9.954 19.568 1.00 10.35 C ATOM 2196 O MET A 850 99.660 -9.198 20.477 1.00 11.78 O ATOM 2197 CB MET A 850 98.031 -8.826 17.637 1.00 20.15 C ATOM 2198 CG MET A 850 96.851 -9.693 17.767 1.00 15.95 C ATOM 2199 SD MET A 850 95.358 -8.889 16.990 1.00 12.54 S ATOM 2200 CE MET A 850 95.574 -9.118 15.247 1.00 14.05 C ATOM 2201 H MET A 850 99.275 -10.924 16.477 1.00 0.00 H ATOM 2202 N MET A 851 99.037 -11.230 19.789 1.00 11.83 N ATOM 2203 CA MET A 851 99.041 -11.735 21.156 1.00 14.29 C ATOM 2204 C MET A 851 100.412 -11.628 21.791 1.00 16.07 C ATOM 2205 O MET A 851 100.527 -11.325 22.991 1.00 15.08 O ATOM 2206 CB MET A 851 98.609 -13.200 21.148 1.00 16.32 C ATOM 2207 CG MET A 851 97.068 -13.334 20.965 1.00 17.79 C ATOM 2208 SD MET A 851 96.071 -12.781 22.372 1.00 18.95 S ATOM 2209 CE MET A 851 96.923 -13.618 23.654 1.00 27.58 C ATOM 2210 H MET A 851 98.833 -11.869 18.994 1.00 0.00 H ATOM 2211 N GLN A 852 101.476 -11.833 21.006 1.00 10.81 N ATOM 2212 CA GLN A 852 102.827 -11.735 21.532 1.00 12.20 C ATOM 2213 C GLN A 852 103.162 -10.292 21.869 1.00 14.03 C ATOM 2214 O GLN A 852 103.927 -10.030 22.812 1.00 12.86 O ATOM 2215 CB GLN A 852 103.818 -12.318 20.515 1.00 13.76 C ATOM 2216 CG GLN A 852 103.739 -13.814 20.407 1.00 17.70 C ATOM 2217 CD GLN A 852 103.896 -14.475 21.768 1.00 25.31 C ATOM 2218 OE1 GLN A 852 104.803 -14.142 22.528 1.00 31.03 O ATOM 2219 NE2 GLN A 852 103.006 -15.407 22.082 1.00 31.86 N ATOM 2220 HE22 GLN A 852 102.255 -15.657 21.408 1.00 0.00 H ATOM 2221 HE21 GLN A 852 103.059 -15.888 23.003 1.00 0.00 H ATOM 2222 H GLN A 852 101.334 -12.066 20.003 1.00 0.00 H ATOM 2223 N CYS A 853 102.625 -9.336 21.105 1.00 10.91 N ATOM 2224 CA CYS A 853 102.790 -7.946 21.443 1.00 11.81 C ATOM 2225 C CYS A 853 102.196 -7.604 22.785 1.00 12.43 C ATOM 2226 O CYS A 853 102.604 -6.605 23.412 1.00 12.47 O ATOM 2227 CB CYS A 853 102.141 -7.018 20.393 1.00 11.96 C ATOM 2228 SG CYS A 853 102.951 -7.105 18.765 1.00 13.33 S ATOM 2229 H CYS A 853 102.082 -9.599 20.258 1.00 0.00 H ATOM 2230 N TRP A 854 101.230 -8.390 23.245 1.00 11.84 N ATOM 2231 CA TRP A 854 100.545 -8.130 24.506 1.00 10.60 C ATOM 2232 C TRP A 854 101.031 -9.035 25.625 1.00 14.36 C ATOM 2233 O TRP A 854 100.287 -9.288 26.588 1.00 14.29 O ATOM 2234 CB TRP A 854 99.037 -8.328 24.336 1.00 11.22 C ATOM 2235 CG TRP A 854 98.414 -7.479 23.278 1.00 11.74 C ATOM 2236 CD1 TRP A 854 98.766 -6.194 22.941 1.00 11.44 C ATOM 2237 CD2 TRP A 854 97.308 -7.860 22.446 1.00 11.98 C ATOM 2238 NE1 TRP A 854 97.950 -5.776 21.861 1.00 10.48 N ATOM 2239 CE2 TRP A 854 97.053 -6.784 21.581 1.00 11.33 C ATOM 2240 CE3 TRP A 854 96.576 -9.017 22.304 1.00 11.76 C ATOM 2241 CZ2 TRP A 854 96.019 -6.823 20.637 1.00 11.10 C ATOM 2242 CZ3 TRP A 854 95.531 -9.057 21.376 1.00 11.93 C ATOM 2243 CH2 TRP A 854 95.283 -7.975 20.519 1.00 11.41 C ATOM 2244 HE1 TRP A 854 98.017 -4.865 21.365 1.00 0.00 H ATOM 2245 H TRP A 854 100.952 -9.221 22.686 1.00 0.00 H ATOM 2246 N GLN A 855 102.286 -9.485 25.576 1.00 14.03 N ATOM 2247 CA GLN A 855 102.846 -10.162 26.754 1.00 14.76 C ATOM 2248 C GLN A 855 102.924 -9.188 27.894 1.00 13.53 C ATOM 2249 O GLN A 855 103.328 -8.032 27.748 1.00 13.87 O ATOM 2250 CB GLN A 855 104.253 -10.682 26.440 1.00 14.56 C ATOM 2251 CG GLN A 855 104.197 -11.830 25.491 1.00 18.82 C ATOM 2252 CD GLN A 855 104.138 -13.180 26.152 1.00 37.00 C ATOM 2253 OE1 GLN A 855 103.847 -13.287 27.337 1.00 32.95 O ATOM 2254 NE2 GLN A 855 104.491 -14.211 25.406 1.00 45.10 N ATOM 2255 HE22 GLN A 855 104.729 -14.070 24.404 1.00 0.00 H ATOM 2256 HE21 GLN A 855 104.531 -15.164 25.821 1.00 0.00 H ATOM 2257 H GLN A 855 102.859 -9.359 24.717 1.00 0.00 H ATOM 2258 N GLN A 856 102.530 -9.659 29.091 1.00 16.11 N ATOM 2259 CA GLN A 856 102.604 -8.789 30.243 1.00 17.98 C ATOM 2260 C GLN A 856 104.032 -8.351 30.549 1.00 14.61 C ATOM 2261 O GLN A 856 104.260 -7.184 30.859 1.00 20.44 O ATOM 2262 CB GLN A 856 102.046 -9.560 31.444 1.00 20.68 C ATOM 2263 CG GLN A 856 101.728 -8.675 32.626 1.00 29.87 C ATOM 2264 CD GLN A 856 100.457 -7.852 32.386 1.00 49.06 C ATOM 2265 OE1 GLN A 856 99.690 -8.123 31.451 1.00 47.08 O ATOM 2266 NE2 GLN A 856 100.217 -6.870 33.236 1.00 37.98 N ATOM 2267 HE22 GLN A 856 100.886 -6.675 34.008 1.00 0.00 H ATOM 2268 HE21 GLN A 856 99.359 -6.292 33.134 1.00 0.00 H ATOM 2269 H GLN A 856 102.178 -10.633 29.186 1.00 0.00 H ATOM 2270 N GLU A 857 104.978 -9.269 30.474 1.00 16.85 N ATOM 2271 CA GLU A 857 106.401 -8.980 30.702 1.00 19.87 C ATOM 2272 C GLU A 857 106.964 -8.347 29.429 1.00 16.71 C ATOM 2273 O GLU A 857 107.059 -9.009 28.384 1.00 17.86 O ATOM 2274 CB GLU A 857 107.121 -10.289 31.051 1.00 26.30 C ATOM 2275 CG GLU A 857 108.651 -10.248 31.127 1.00 45.35 C ATOM 2276 CD GLU A 857 109.296 -11.637 31.343 1.00 59.94 C ATOM 2277 OE1 GLU A 857 110.551 -11.737 31.407 1.00 44.47 O ATOM 2278 OE2 GLU A 857 108.555 -12.638 31.474 1.00 59.52 O ATOM 2279 H GLU A 857 104.703 -10.245 30.242 1.00 0.00 H ATOM 2280 N ARG A 858 107.353 -7.091 29.526 1.00 16.59 N ATOM 2281 CA ARG A 858 107.740 -6.352 28.323 1.00 16.53 C ATOM 2282 C ARG A 858 108.928 -6.982 27.623 1.00 17.64 C ATOM 2283 O ARG A 858 108.981 -6.894 26.396 1.00 17.40 O ATOM 2284 CB ARG A 858 107.928 -4.854 28.570 1.00 17.83 C ATOM 2285 CG ARG A 858 109.196 -4.556 29.363 1.00 19.63 C ATOM 2286 CD ARG A 858 109.310 -3.084 29.588 1.00 18.48 C ATOM 2287 NE ARG A 858 110.571 -2.800 30.261 1.00 21.04 N ATOM 2288 CZ ARG A 858 110.937 -1.607 30.714 1.00 24.58 C ATOM 2289 NH1 ARG A 858 110.142 -0.547 30.648 1.00 21.51 N ATOM 2290 NH2 ARG A 858 112.151 -1.502 31.263 1.00 26.35 N ATOM 2291 HE ARG A 858 111.233 -3.590 30.396 1.00 0.00 H ATOM 2292 HH12 ARG A 858 110.467 0.370 31.015 1.00 0.00 H ATOM 2293 HH11 ARG A 858 109.194 -0.633 30.230 1.00 0.00 H ATOM 2294 HH22 ARG A 858 112.478 -0.586 31.631 1.00 0.00 H ATOM 2295 HH21 ARG A 858 112.769 -2.337 31.323 1.00 0.00 H ATOM 2296 H ARG A 858 107.385 -6.626 30.456 1.00 0.00 H ATOM 2297 N ALA A 859 109.844 -7.647 28.351 1.00 18.50 N ATOM 2298 CA ALA A 859 110.978 -8.233 27.654 1.00 20.28 C ATOM 2299 C ALA A 859 110.593 -9.418 26.796 1.00 18.47 C ATOM 2300 O ALA A 859 111.401 -9.837 25.955 1.00 20.50 O ATOM 2301 CB ALA A 859 112.036 -8.650 28.690 1.00 22.60 C ATOM 2302 H ALA A 859 109.744 -7.739 29.382 1.00 0.00 H ATOM 2303 N ARG A 860 109.378 -9.990 26.993 1.00 16.50 N ATOM 2304 CA ARG A 860 108.972 -11.098 26.155 1.00 16.65 C ATOM 2305 C ARG A 860 108.315 -10.624 24.856 1.00 14.49 C ATOM 2306 O ARG A 860 108.099 -11.443 23.965 1.00 20.53 O ATOM 2307 CB ARG A 860 107.963 -12.013 26.873 1.00 20.01 C ATOM 2308 CG ARG A 860 108.597 -12.687 28.127 1.00 25.83 C ATOM 2309 CD ARG A 860 107.594 -13.644 28.788 1.00 32.70 C ATOM 2310 NE ARG A 860 107.265 -14.767 27.918 1.00 56.52 N ATOM 2311 CZ ARG A 860 106.384 -15.716 28.224 1.00 72.78 C ATOM 2312 NH1 ARG A 860 105.739 -15.669 29.384 1.00 64.79 N ATOM 2313 NH2 ARG A 860 106.145 -16.708 27.371 1.00 58.91 N ATOM 2314 HE ARG A 860 107.750 -14.830 27.000 1.00 0.00 H ATOM 2315 HH12 ARG A 860 105.050 -16.409 29.626 1.00 0.00 H ATOM 2316 HH11 ARG A 860 105.923 -14.892 30.050 1.00 0.00 H ATOM 2317 HH22 ARG A 860 105.456 -17.448 27.614 1.00 0.00 H ATOM 2318 HH21 ARG A 860 106.647 -16.744 26.461 1.00 0.00 H ATOM 2319 H ARG A 860 108.745 -9.636 27.738 1.00 0.00 H ATOM 2320 N ARG A 861 108.015 -9.348 24.731 1.00 14.11 N ATOM 2321 CA ARG A 861 107.351 -8.918 23.505 1.00 12.74 C ATOM 2322 C ARG A 861 108.348 -8.933 22.338 1.00 12.27 C ATOM 2323 O ARG A 861 109.560 -8.712 22.542 1.00 13.44 O ATOM 2324 CB ARG A 861 106.819 -7.502 23.684 1.00 11.76 C ATOM 2325 CG ARG A 861 105.737 -7.422 24.802 1.00 11.46 C ATOM 2326 CD ARG A 861 105.342 -6.026 25.059 1.00 11.69 C ATOM 2327 NE ARG A 861 104.618 -6.002 26.351 1.00 11.08 N ATOM 2328 CZ ARG A 861 104.668 -4.952 27.184 1.00 12.39 C ATOM 2329 NH1 ARG A 861 105.213 -3.781 26.911 1.00 12.82 N ATOM 2330 NH2 ARG A 861 104.135 -5.147 28.407 1.00 13.47 N ATOM 2331 HE ARG A 861 104.050 -6.830 26.622 1.00 0.00 H ATOM 2332 HH12 ARG A 861 105.203 -3.024 27.624 1.00 0.00 H ATOM 2333 HH11 ARG A 861 105.652 -3.615 25.983 1.00 0.00 H ATOM 2334 HH22 ARG A 861 104.139 -4.376 29.105 1.00 0.00 H ATOM 2335 HH21 ARG A 861 103.720 -6.068 28.652 1.00 0.00 H ATOM 2336 H ARG A 861 108.244 -8.667 25.483 1.00 0.00 H ATOM 2337 N PRO A 862 107.873 -9.164 21.105 1.00 12.42 N ATOM 2338 CA PRO A 862 108.779 -8.980 19.969 1.00 12.01 C ATOM 2339 C PRO A 862 109.266 -7.544 19.884 1.00 10.95 C ATOM 2340 O PRO A 862 108.623 -6.598 20.342 1.00 13.68 O ATOM 2341 CB PRO A 862 107.933 -9.325 18.744 1.00 15.13 C ATOM 2342 CG PRO A 862 106.505 -9.451 19.253 1.00 17.14 C ATOM 2343 CD PRO A 862 106.464 -9.368 20.731 1.00 12.69 C ATOM 2344 N LYS A 863 110.460 -7.408 19.302 1.00 11.04 N ATOM 2345 CA LYS A 863 110.876 -6.074 18.895 1.00 11.55 C ATOM 2346 C LYS A 863 110.235 -5.708 17.562 1.00 10.29 C ATOM 2347 O LYS A 863 109.787 -6.562 16.805 1.00 11.08 O ATOM 2348 CB LYS A 863 112.433 -6.117 18.742 1.00 12.73 C ATOM 2349 CG LYS A 863 113.181 -6.648 20.006 1.00 17.94 C ATOM 2350 CD LYS A 863 112.825 -5.966 21.288 1.00 18.61 C ATOM 2351 CE LYS A 863 113.684 -6.549 22.415 1.00 18.77 C ATOM 2352 NZ LYS A 863 113.314 -6.110 23.786 1.00 21.62 N ATOM 2353 HZ1 LYS A 863 113.400 -5.076 23.853 1.00 0.00 H ATOM 2354 HZ2 LYS A 863 112.333 -6.391 23.986 1.00 0.00 H ATOM 2355 HZ3 LYS A 863 113.951 -6.557 24.476 1.00 0.00 H ATOM 2356 H LYS A 863 111.075 -8.232 19.144 1.00 0.00 H ATOM 2357 N PHE A 864 110.248 -4.430 17.254 1.00 9.63 N ATOM 2358 CA PHE A 864 109.750 -4.066 15.924 1.00 10.91 C ATOM 2359 C PHE A 864 110.569 -4.737 14.822 1.00 11.56 C ATOM 2360 O PHE A 864 109.993 -5.066 13.778 1.00 11.64 O ATOM 2361 CB PHE A 864 109.680 -2.546 15.674 1.00 11.03 C ATOM 2362 CG PHE A 864 108.543 -1.868 16.402 1.00 9.72 C ATOM 2363 CD1 PHE A 864 107.228 -2.154 16.017 1.00 11.18 C ATOM 2364 CD2 PHE A 864 108.769 -1.023 17.465 1.00 11.19 C ATOM 2365 CE1 PHE A 864 106.166 -1.579 16.674 1.00 10.85 C ATOM 2366 CE2 PHE A 864 107.661 -0.453 18.164 1.00 11.36 C ATOM 2367 CZ PHE A 864 106.379 -0.752 17.750 1.00 10.36 C ATOM 2368 H PHE A 864 110.595 -3.712 17.922 1.00 0.00 H ATOM 2369 N ALA A 865 111.875 -4.985 15.030 1.00 11.17 N ATOM 2370 CA ALA A 865 112.588 -5.693 13.982 1.00 10.13 C ATOM 2371 C ALA A 865 112.003 -7.083 13.767 1.00 11.68 C ATOM 2372 O ALA A 865 111.947 -7.553 12.631 1.00 13.11 O ATOM 2373 CB ALA A 865 114.029 -5.816 14.448 1.00 11.97 C ATOM 2374 H ALA A 865 112.353 -4.683 15.903 1.00 0.00 H ATOM 2375 N ASP A 866 111.588 -7.774 14.830 1.00 11.78 N ATOM 2376 CA ASP A 866 110.978 -9.092 14.673 1.00 11.89 C ATOM 2377 C ASP A 866 109.643 -9.001 13.950 1.00 12.13 C ATOM 2378 O ASP A 866 109.333 -9.823 13.088 1.00 13.37 O ATOM 2379 CB ASP A 866 110.721 -9.712 16.060 1.00 12.54 C ATOM 2380 CG ASP A 866 111.978 -9.861 16.863 1.00 17.13 C ATOM 2381 OD1 ASP A 866 112.949 -10.409 16.321 1.00 20.30 O ATOM 2382 OD2 ASP A 866 112.006 -9.474 18.046 1.00 16.24 O ATOM 2383 H ASP A 866 111.700 -7.370 15.782 1.00 0.00 H ATOM 2384 N ILE A 867 108.829 -8.005 14.317 1.00 12.30 N ATOM 2385 CA ILE A 867 107.527 -7.797 13.679 1.00 12.40 C ATOM 2386 C ILE A 867 107.682 -7.571 12.189 1.00 13.01 C ATOM 2387 O ILE A 867 106.962 -8.187 11.389 1.00 12.47 O ATOM 2388 CB ILE A 867 106.807 -6.635 14.369 1.00 10.19 C ATOM 2389 CG1 ILE A 867 106.477 -7.029 15.820 1.00 13.79 C ATOM 2390 CG2 ILE A 867 105.555 -6.220 13.515 1.00 11.83 C ATOM 2391 CD1 ILE A 867 106.049 -5.845 16.666 1.00 12.94 C ATOM 2392 H ILE A 867 109.129 -7.361 15.076 1.00 0.00 H ATOM 2393 N VAL A 868 108.600 -6.674 11.776 1.00 11.09 N ATOM 2394 CA VAL A 868 108.750 -6.449 10.359 1.00 12.70 C ATOM 2395 C VAL A 868 109.186 -7.739 9.663 1.00 13.76 C ATOM 2396 O VAL A 868 108.725 -8.041 8.551 1.00 15.87 O ATOM 2397 CB VAL A 868 109.771 -5.319 10.129 1.00 12.62 C ATOM 2398 CG1 VAL A 868 110.131 -5.215 8.605 1.00 14.48 C ATOM 2399 CG2 VAL A 868 109.264 -4.006 10.713 1.00 13.20 C ATOM 2400 H VAL A 868 109.186 -6.157 12.462 1.00 0.00 H ATOM 2401 N SER A 869 110.147 -8.462 10.245 1.00 13.74 N ATOM 2402 CA SER A 869 110.642 -9.669 9.631 1.00 14.89 C ATOM 2403 C SER A 869 109.512 -10.686 9.475 1.00 13.55 C ATOM 2404 O SER A 869 109.389 -11.318 8.411 1.00 15.17 O ATOM 2405 CB SER A 869 111.779 -10.219 10.479 1.00 16.43 C ATOM 2406 OG SER A 869 112.184 -11.504 9.987 1.00 19.87 O ATOM 2407 HG SER A 869 112.924 -11.852 10.546 1.00 0.00 H ATOM 2408 H SER A 869 110.544 -8.150 11.154 1.00 0.00 H ATOM 2409 N ILE A 870 108.704 -10.885 10.513 1.00 12.91 N ATOM 2410 CA ILE A 870 107.604 -11.846 10.424 1.00 13.35 C ATOM 2411 C ILE A 870 106.587 -11.432 9.381 1.00 13.51 C ATOM 2412 O ILE A 870 106.148 -12.262 8.567 1.00 15.17 O ATOM 2413 CB ILE A 870 106.966 -12.043 11.820 1.00 13.90 C ATOM 2414 CG1 ILE A 870 107.931 -12.769 12.743 1.00 18.20 C ATOM 2415 CG2 ILE A 870 105.565 -12.739 11.715 1.00 16.72 C ATOM 2416 CD1 ILE A 870 107.634 -12.570 14.217 1.00 26.88 C ATOM 2417 H ILE A 870 108.855 -10.354 11.394 1.00 0.00 H ATOM 2418 N LEU A 871 106.173 -10.157 9.378 1.00 12.37 N ATOM 2419 CA LEU A 871 105.196 -9.712 8.390 1.00 12.81 C ATOM 2420 C LEU A 871 105.734 -9.901 6.969 1.00 14.36 C ATOM 2421 O LEU A 871 104.997 -10.306 6.076 1.00 15.32 O ATOM 2422 CB LEU A 871 104.765 -8.265 8.676 1.00 12.91 C ATOM 2423 CG LEU A 871 104.022 -8.100 10.006 1.00 10.35 C ATOM 2424 CD1 LEU A 871 103.742 -6.669 10.224 1.00 11.97 C ATOM 2425 CD2 LEU A 871 102.694 -8.902 9.999 1.00 14.01 C ATOM 2426 H LEU A 871 106.548 -9.486 10.079 1.00 0.00 H ATOM 2427 N ASP A 872 107.016 -9.606 6.746 1.00 13.65 N ATOM 2428 CA ASP A 872 107.606 -9.807 5.417 1.00 14.16 C ATOM 2429 C ASP A 872 107.562 -11.259 5.012 1.00 17.16 C ATOM 2430 O ASP A 872 107.243 -11.570 3.855 1.00 19.28 O ATOM 2431 CB ASP A 872 109.054 -9.345 5.407 1.00 14.79 C ATOM 2432 CG ASP A 872 109.183 -7.880 5.258 1.00 18.38 C ATOM 2433 OD1 ASP A 872 108.194 -7.254 4.878 1.00 21.52 O ATOM 2434 OD2 ASP A 872 110.301 -7.348 5.507 1.00 22.11 O ATOM 2435 H ASP A 872 107.601 -9.231 7.519 1.00 0.00 H ATOM 2436 N LYS A 873 107.867 -12.160 5.920 1.00 16.10 N ATOM 2437 CA LYS A 873 107.836 -13.580 5.578 1.00 17.06 C ATOM 2438 C LYS A 873 106.431 -14.044 5.251 1.00 19.42 C ATOM 2439 O LYS A 873 106.241 -14.848 4.331 1.00 17.99 O ATOM 2440 CB LYS A 873 108.422 -14.410 6.692 1.00 19.54 C ATOM 2441 CG LYS A 873 109.949 -14.220 6.839 1.00 22.69 C ATOM 2442 CD LYS A 873 110.434 -15.079 7.974 1.00 31.68 C ATOM 2443 CE LYS A 873 111.956 -14.910 8.185 1.00 35.56 C ATOM 2444 NZ LYS A 873 112.522 -16.079 8.919 1.00 50.45 N ATOM 2445 HZ1 LYS A 873 112.061 -16.160 9.848 1.00 0.00 H ATOM 2446 HZ2 LYS A 873 112.353 -16.946 8.370 1.00 0.00 H ATOM 2447 HZ3 LYS A 873 113.545 -15.943 9.049 1.00 0.00 H ATOM 2448 H LYS A 873 108.130 -11.862 6.881 1.00 0.00 H ATOM 2449 N LEU A 874 105.416 -13.528 5.970 1.00 14.86 N ATOM 2450 CA LEU A 874 104.037 -13.897 5.653 1.00 15.16 C ATOM 2451 C LEU A 874 103.607 -13.369 4.297 1.00 18.39 C ATOM 2452 O LEU A 874 102.986 -14.088 3.504 1.00 18.64 O ATOM 2453 CB LEU A 874 103.107 -13.388 6.779 1.00 15.47 C ATOM 2454 CG LEU A 874 103.333 -14.049 8.140 1.00 14.45 C ATOM 2455 CD1 LEU A 874 102.537 -13.273 9.239 1.00 15.27 C ATOM 2456 CD2 LEU A 874 102.948 -15.523 8.216 1.00 17.12 C ATOM 2457 H LEU A 874 105.613 -12.868 6.749 1.00 0.00 H ATOM 2458 N ILE A 875 103.943 -12.123 3.989 1.00 17.38 N ATOM 2459 CA ILE A 875 103.559 -11.520 2.720 1.00 17.50 C ATOM 2460 C ILE A 875 104.208 -12.248 1.546 1.00 23.10 C ATOM 2461 O ILE A 875 103.588 -12.406 0.481 1.00 20.23 O ATOM 2462 CB ILE A 875 103.920 -10.020 2.731 1.00 19.07 C ATOM 2463 CG1 ILE A 875 102.980 -9.297 3.698 1.00 17.06 C ATOM 2464 CG2 ILE A 875 103.860 -9.377 1.273 1.00 19.76 C ATOM 2465 CD1 ILE A 875 103.496 -7.891 4.141 1.00 18.92 C ATOM 2466 H ILE A 875 104.494 -11.563 4.670 1.00 0.00 H ATOM 2467 N ARG A 876 105.438 -12.676 1.718 1.00 19.80 N ATOM 2468 CA ARG A 876 106.187 -13.353 0.669 1.00 19.71 C ATOM 2469 C ARG A 876 105.699 -14.753 0.429 1.00 23.88 C ATOM 2470 O ARG A 876 105.903 -15.253 -0.609 1.00 24.14 O ATOM 2471 CB ARG A 876 107.666 -13.401 0.952 1.00 21.46 C ATOM 2472 CG ARG A 876 108.360 -12.063 0.916 1.00 30.83 C ATOM 2473 CD ARG A 876 109.818 -12.305 1.251 1.00 49.70 C ATOM 2474 NE ARG A 876 110.624 -11.173 1.726 1.00 65.81 N ATOM 2475 CZ ARG A 876 111.345 -11.206 2.840 1.00 60.75 C ATOM 2476 NH1 ARG A 876 112.055 -10.168 3.191 1.00 67.23 N ATOM 2477 NH2 ARG A 876 111.328 -12.269 3.617 1.00 47.16 N ATOM 2478 HE ARG A 876 110.630 -10.300 1.160 1.00 0.00 H ATOM 2479 HH12 ARG A 876 112.619 -10.195 4.064 1.00 0.00 H ATOM 2480 HH11 ARG A 876 112.056 -9.314 2.598 1.00 0.00 H ATOM 2481 HH22 ARG A 876 111.896 -12.286 4.488 1.00 0.00 H ATOM 2482 HH21 ARG A 876 110.746 -13.092 3.360 1.00 0.00 H ATOM 2483 H ARG A 876 105.895 -12.525 2.640 1.00 0.00 H ATOM 2484 N ALA A 877 105.067 -15.372 1.394 1.00 19.89 N ATOM 2485 CA ALA A 877 104.509 -16.724 1.217 1.00 18.73 C ATOM 2486 C ALA A 877 103.044 -16.656 1.627 1.00 18.90 C ATOM 2487 O ALA A 877 102.659 -17.144 2.706 1.00 19.10 O ATOM 2488 CB ALA A 877 105.283 -17.745 2.052 1.00 25.78 C ATOM 2489 H ALA A 877 104.956 -14.896 2.312 1.00 0.00 H ATOM 2490 N PRO A 878 102.191 -16.041 0.795 1.00 18.62 N ATOM 2491 CA PRO A 878 100.872 -15.626 1.258 1.00 19.07 C ATOM 2492 C PRO A 878 99.935 -16.767 1.575 1.00 17.32 C ATOM 2493 O PRO A 878 98.909 -16.553 2.250 1.00 17.16 O ATOM 2494 CB PRO A 878 100.355 -14.721 0.132 1.00 24.51 C ATOM 2495 CG PRO A 878 101.189 -15.093 -1.057 1.00 24.33 C ATOM 2496 CD PRO A 878 102.488 -15.561 -0.586 1.00 21.07 C ATOM 2497 N ASP A 879 100.224 -17.990 1.100 1.00 17.04 N ATOM 2498 CA ASP A 879 99.398 -19.105 1.568 1.00 18.96 C ATOM 2499 C ASP A 879 99.451 -19.260 3.080 1.00 16.32 C ATOM 2500 O ASP A 879 98.518 -19.829 3.663 1.00 18.27 O ATOM 2501 CB ASP A 879 99.754 -20.434 0.855 1.00 24.17 C ATOM 2502 CG ASP A 879 99.124 -20.554 -0.518 1.00 20.51 C ATOM 2503 OD1 ASP A 879 98.275 -19.737 -0.912 1.00 23.19 O ATOM 2504 OD2 ASP A 879 99.442 -21.574 -1.224 1.00 28.02 O ATOM 2505 H ASP A 879 101.003 -18.139 0.427 1.00 0.00 H ATOM 2506 N SER A 880 100.532 -18.785 3.713 1.00 17.55 N ATOM 2507 CA SER A 880 100.621 -18.790 5.175 1.00 18.39 C ATOM 2508 C SER A 880 99.492 -17.998 5.824 1.00 18.16 C ATOM 2509 O SER A 880 99.116 -18.296 6.973 1.00 23.17 O ATOM 2510 CB SER A 880 101.931 -18.135 5.598 1.00 22.38 C ATOM 2511 OG SER A 880 101.932 -16.733 5.278 1.00 21.04 O ATOM 2512 HG SER A 880 101.820 -16.619 4.301 1.00 0.00 H ATOM 2513 H SER A 880 101.323 -18.405 3.155 1.00 0.00 H ATOM 2514 N LEU A 881 98.904 -17.053 5.126 1.00 15.07 N ATOM 2515 CA LEU A 881 97.817 -16.245 5.660 1.00 16.23 C ATOM 2516 C LEU A 881 96.450 -16.880 5.476 1.00 18.52 C ATOM 2517 O LEU A 881 95.432 -16.337 5.966 1.00 18.19 O ATOM 2518 CB LEU A 881 97.827 -14.838 5.042 1.00 16.53 C ATOM 2519 CG LEU A 881 99.124 -14.079 5.317 1.00 17.50 C ATOM 2520 CD1 LEU A 881 99.175 -12.889 4.361 1.00 21.25 C ATOM 2521 CD2 LEU A 881 99.163 -13.609 6.732 1.00 17.82 C ATOM 2522 H LEU A 881 99.228 -16.875 4.154 1.00 0.00 H ATOM 2523 N LYS A 882 96.380 -18.056 4.823 1.00 16.74 N ATOM 2524 CA LYS A 882 95.061 -18.640 4.620 1.00 15.64 C ATOM 2525 C LYS A 882 94.603 -19.460 5.825 1.00 17.00 C ATOM 2526 O LYS A 882 93.413 -19.791 5.900 1.00 20.66 O ATOM 2527 CB LYS A 882 95.092 -19.527 3.364 1.00 17.74 C ATOM 2528 CG LYS A 882 95.168 -18.703 2.106 1.00 19.36 C ATOM 2529 CD LYS A 882 95.296 -19.645 0.902 1.00 20.54 C ATOM 2530 CE LYS A 882 95.268 -18.818 -0.351 1.00 21.13 C ATOM 2531 NZ LYS A 882 95.569 -19.743 -1.528 1.00 23.12 N ATOM 2532 HZ1 LYS A 882 96.508 -20.172 -1.399 1.00 0.00 H ATOM 2533 HZ2 LYS A 882 94.848 -20.491 -1.573 1.00 0.00 H ATOM 2534 HZ3 LYS A 882 95.556 -19.194 -2.411 1.00 0.00 H ATOM 2535 H LYS A 882 97.238 -18.531 4.476 1.00 0.00 H ATOM 2536 N THR A 883 95.521 -19.818 6.744 1.00 17.01 N ATOM 2537 CA THR A 883 95.131 -20.513 7.981 1.00 16.74 C ATOM 2538 C THR A 883 94.560 -19.471 8.931 1.00 15.27 C ATOM 2539 O THR A 883 95.306 -18.564 9.342 1.00 16.05 O ATOM 2540 CB THR A 883 96.348 -21.206 8.579 1.00 20.90 C ATOM 2541 OG1 THR A 883 96.819 -22.215 7.664 1.00 24.42 O ATOM 2542 CG2 THR A 883 95.983 -21.887 9.875 1.00 24.26 C ATOM 2543 HG1 THR A 883 97.610 -22.667 8.051 1.00 0.00 H ATOM 2544 H THR A 883 96.524 -19.599 6.576 1.00 0.00 H ATOM 2545 N LEU A 884 93.276 -19.551 9.198 1.00 16.42 N ATOM 2546 CA LEU A 884 92.577 -18.511 9.954 1.00 16.54 C ATOM 2547 C LEU A 884 92.424 -18.913 11.412 1.00 19.77 C ATOM 2548 O LEU A 884 92.130 -20.080 11.724 1.00 18.51 O ATOM 2549 CB LEU A 884 91.170 -18.246 9.408 1.00 17.78 C ATOM 2550 CG LEU A 884 91.197 -17.858 7.920 1.00 18.57 C ATOM 2551 CD1 LEU A 884 89.749 -17.534 7.533 1.00 23.19 C ATOM 2552 CD2 LEU A 884 92.135 -16.655 7.693 1.00 22.37 C ATOM 2553 H LEU A 884 92.741 -20.377 8.862 1.00 0.00 H ATOM 2554 N ALA A 885 92.567 -17.943 12.293 1.00 14.86 N ATOM 2555 CA ALA A 885 92.195 -18.151 13.691 1.00 15.97 C ATOM 2556 C ALA A 885 90.688 -18.292 13.811 1.00 18.08 C ATOM 2557 O ALA A 885 89.912 -17.599 13.152 1.00 18.16 O ATOM 2558 CB ALA A 885 92.676 -16.982 14.571 1.00 17.22 C ATOM 2559 H ALA A 885 92.947 -17.023 11.991 1.00 0.00 H ATOM 2560 N ASP A 886 90.258 -19.181 14.697 1.00 19.07 N ATOM 2561 CA ASP A 886 88.826 -19.367 14.917 1.00 16.47 C ATOM 2562 C ASP A 886 88.197 -18.081 15.453 1.00 20.22 C ATOM 2563 O ASP A 886 88.714 -17.460 16.378 1.00 22.87 O ATOM 2564 CB ASP A 886 88.688 -20.469 15.961 1.00 20.68 C ATOM 2565 CG ASP A 886 87.220 -20.821 16.260 1.00 25.27 C ATOM 2566 OD1 ASP A 886 86.427 -20.907 15.298 1.00 25.18 O ATOM 2567 OD2 ASP A 886 86.908 -21.037 17.461 1.00 28.46 O ATOM 2568 H ASP A 886 90.943 -19.748 15.237 1.00 0.00 H ATOM 2569 N PHE A 887 87.089 -17.669 14.865 1.00 22.60 N ATOM 2570 CA PHE A 887 86.355 -16.516 15.363 1.00 20.72 C ATOM 2571 C PHE A 887 85.182 -17.009 16.201 1.00 36.09 C ATOM 2572 O PHE A 887 84.454 -17.897 15.762 1.00 36.37 O ATOM 2573 CB PHE A 887 85.843 -15.706 14.168 1.00 22.64 C ATOM 2574 CG PHE A 887 85.002 -14.538 14.570 1.00 23.91 C ATOM 2575 CD1 PHE A 887 85.589 -13.445 15.192 1.00 22.58 C ATOM 2576 CD2 PHE A 887 83.627 -14.563 14.433 1.00 29.09 C ATOM 2577 CE1 PHE A 887 84.836 -12.375 15.666 1.00 22.79 C ATOM 2578 CE2 PHE A 887 82.846 -13.476 14.878 1.00 29.20 C ATOM 2579 CZ PHE A 887 83.447 -12.381 15.496 1.00 27.55 C ATOM 2580 H PHE A 887 86.734 -18.178 14.030 1.00 0.00 H ATOM 2581 N ASP A 888 84.990 -16.443 17.390 1.00 50.03 N ATOM 2582 CA ASP A 888 83.697 -16.637 18.095 1.00 57.15 C ATOM 2583 C ASP A 888 83.281 -15.480 18.989 1.00 41.90 C ATOM 2584 O ASP A 888 82.587 -14.571 18.553 1.00 58.29 O ATOM 2585 CB ASP A 888 83.651 -17.961 18.873 1.00 57.22 C ATOM 2586 CG ASP A 888 83.052 -19.106 18.061 1.00 69.68 C ATOM 2587 OD1 ASP A 888 83.174 -20.273 18.491 1.00 64.95 O ATOM 2588 OD2 ASP A 888 82.400 -18.839 17.032 1.00 75.70 O ATOM 2589 H ASP A 888 85.741 -15.868 17.823 1.00 0.00 H TER 2590 ASP A 888 ATOM 2591 N VAL A 891 74.840 -16.745 18.235 1.00 34.51 N ATOM 2592 CA VAL A 891 74.156 -18.023 17.962 1.00 54.23 C ATOM 2593 C VAL A 891 72.928 -17.896 17.049 1.00 48.60 C ATOM 2594 O VAL A 891 71.907 -17.350 17.450 1.00 50.46 O ATOM 2595 CB VAL A 891 73.818 -18.823 19.273 1.00 53.55 C ATOM 2596 CG1 VAL A 891 73.128 -17.945 20.317 1.00 46.71 C ATOM 2597 CG2 VAL A 891 72.944 -20.038 18.954 1.00 54.44 C ATOM 2598 HN3 VAL A 891 74.178 -16.092 18.701 1.00 0.00 H ATOM 2599 HN2 VAL A 891 75.166 -16.330 17.339 1.00 0.00 H ATOM 2600 HN1 VAL A 891 75.656 -16.916 18.857 1.00 0.00 H ATOM 2601 N SER A 892 73.020 -18.405 15.820 1.00 35.99 N ATOM 2602 CA SER A 892 71.875 -18.424 14.914 1.00 43.18 C ATOM 2603 C SER A 892 71.681 -19.855 14.434 1.00 47.43 C ATOM 2604 O SER A 892 72.515 -20.386 13.691 1.00 43.12 O ATOM 2605 CB SER A 892 72.056 -17.443 13.753 1.00 46.23 C ATOM 2606 OG SER A 892 71.647 -16.138 14.141 1.00 53.85 O ATOM 2607 HG SER A 892 71.770 -15.515 13.381 1.00 0.00 H ATOM 2608 H SER A 892 73.928 -18.797 15.499 1.00 0.00 H ATOM 2609 N ILE A 893 70.586 -20.473 14.872 1.00 37.69 N ATOM 2610 CA ILE A 893 70.294 -21.879 14.620 1.00 47.27 C ATOM 2611 C ILE A 893 69.272 -21.941 13.490 1.00 57.03 C ATOM 2612 O ILE A 893 68.185 -21.366 13.598 1.00 37.00 O ATOM 2613 CB ILE A 893 69.767 -22.564 15.892 1.00 39.92 C ATOM 2614 CG1 ILE A 893 70.775 -22.411 17.031 1.00 55.70 C ATOM 2615 CG2 ILE A 893 69.491 -24.034 15.631 1.00 69.40 C ATOM 2616 CD1 ILE A 893 72.171 -22.938 16.691 1.00 58.05 C ATOM 2617 H ILE A 893 69.900 -19.921 15.425 1.00 0.00 H ATOM 2618 N ARG A 894 69.587 -22.676 12.438 1.00 53.09 N ATOM 2619 CA ARG A 894 68.665 -22.692 11.350 1.00 61.81 C ATOM 2620 C ARG A 894 68.401 -23.959 10.559 1.00 77.18 C ATOM 2621 O ARG A 894 67.254 -24.401 10.469 1.00 78.33 O ATOM 2622 CB ARG A 894 69.169 -21.647 10.371 1.00 60.56 C ATOM 2623 CG ARG A 894 68.252 -20.454 10.079 1.00 68.25 C ATOM 2624 CD ARG A 894 68.904 -19.678 8.954 1.00 69.64 C ATOM 2625 NE ARG A 894 69.338 -20.611 7.907 1.00 70.66 N ATOM 2626 CZ ARG A 894 68.484 -21.339 7.205 1.00 80.12 C ATOM 2627 NH1 ARG A 894 67.204 -21.160 7.426 1.00 73.40 N ATOM 2628 NH2 ARG A 894 68.900 -22.210 6.288 1.00 76.72 N ATOM 2629 HE ARG A 894 70.355 -20.703 7.709 1.00 0.00 H ATOM 2630 HH12 ARG A 894 66.502 -21.713 6.894 1.00 0.00 H ATOM 2631 HH11 ARG A 894 66.891 -20.465 8.133 1.00 0.00 H ATOM 2632 HH22 ARG A 894 68.208 -22.770 5.750 1.00 0.00 H ATOM 2633 HH21 ARG A 894 69.917 -22.331 6.109 1.00 0.00 H ATOM 2634 H ARG A 894 70.472 -23.221 12.405 1.00 0.00 H ATOM 2635 N LEU A 895 69.450 -24.519 9.983 1.00 79.62 N ATOM 2636 CA LEU A 895 69.237 -25.536 8.941 1.00 74.67 C ATOM 2637 C LEU A 895 68.170 -26.581 9.245 1.00 70.55 C ATOM 2638 O LEU A 895 67.085 -26.541 8.664 1.00 90.11 O ATOM 2639 CB LEU A 895 70.557 -26.208 8.528 1.00 71.61 C ATOM 2640 CG LEU A 895 71.260 -27.233 9.428 1.00 82.30 C ATOM 2641 CD1 LEU A 895 72.580 -27.655 8.791 1.00 76.22 C ATOM 2642 CD2 LEU A 895 71.496 -26.728 10.852 1.00 84.20 C ATOM 2643 H LEU A 895 70.413 -24.245 10.262 1.00 0.00 H TER 2644 LEU A 895 HETATM 2645 O HOH 1 98.405 -9.794 31.948 1.00 34.58 O HETATM 2646 O HOH 2 95.018 29.960 11.936 1.00 48.06 O HETATM 2647 O HOH 3 99.686 18.162 15.179 1.00 46.03 O HETATM 2648 O HOH 4 90.431 27.391 15.356 1.00 48.94 O HETATM 2649 O HOH 5 90.216 5.733 17.038 1.00 30.04 O HETATM 2650 O HOH 6 106.352 33.229 19.901 1.00 40.10 O HETATM 2651 O HOH 7 109.664 8.161 26.567 1.00 51.84 O HETATM 2652 O HOH 8 65.631 -21.668 5.606 1.00 36.25 O HETATM 2653 O HOH 9 99.369 15.886 15.052 1.00 52.10 O HETATM 2654 O HOH 10 88.739 -9.729 34.863 1.00 41.91 O HETATM 2655 O HOH 11 112.290 -8.580 6.363 1.00 29.10 O HETATM 2656 O HOH 12 102.014 16.083 -0.268 1.00 27.42 O HETATM 2657 O HOH 13 106.392 28.581 -10.395 1.00 30.98 O HETATM 2658 O HOH 14 114.464 6.029 4.677 1.00 39.99 O HETATM 2659 O HOH 15 81.201 -3.861 31.925 1.00 36.92 O HETATM 2660 O HOH 16 80.002 -1.928 22.951 1.00 25.73 O HETATM 2661 O HOH 17 109.276 32.345 7.312 1.00 26.09 O HETATM 2662 O HOH 18 91.758 14.250 0.456 1.00 31.48 O HETATM 2663 O HOH 19 88.849 -7.809 4.724 1.00 30.71 O HETATM 2664 O HOH 20 110.695 -2.757 21.309 1.00 18.59 O HETATM 2665 O HOH 21 116.546 13.060 8.156 1.00 41.96 O HETATM 2666 O HOH 22 84.654 -5.477 9.857 1.00 30.14 O HETATM 2667 O HOH 23 89.128 11.649 3.306 1.00 51.75 O HETATM 2668 O HOH 24 93.001 -8.040 37.223 1.00 22.25 O HETATM 2669 O HOH 25 88.518 -11.034 38.348 1.00 33.82 O HETATM 2670 O HOH 26 104.074 -4.918 32.186 1.00 28.60 O HETATM 2671 O HOH 27 103.939 -2.709 3.347 1.00 26.54 O HETATM 2672 O HOH 28 84.544 1.631 35.702 1.00 39.68 O HETATM 2673 O HOH 29 83.384 -5.323 35.332 1.00 46.94 O HETATM 2674 O HOH 30 99.038 -11.865 25.141 1.00 35.01 O HETATM 2675 O HOH 31 96.128 10.447 11.752 1.00 35.71 O HETATM 2676 O HOH 32 109.581 3.351 19.739 1.00 13.92 O HETATM 2677 O HOH 33 90.705 -9.876 9.936 1.00 26.95 O HETATM 2678 O HOH 34 89.698 1.617 16.212 1.00 17.46 O HETATM 2679 O HOH 35 104.850 10.828 19.843 1.00 32.70 O HETATM 2680 O HOH 36 90.444 -13.406 24.219 1.00 24.65 O HETATM 2681 O HOH 37 92.797 4.711 16.940 1.00 15.06 O HETATM 2682 O HOH 38 109.713 12.954 8.734 1.00 22.37 O HETATM 2683 O HOH 39 91.434 -19.093 4.234 1.00 26.71 O HETATM 2684 O HOH 40 104.609 3.517 24.640 1.00 14.36 O HETATM 2685 O HOH 41 106.520 16.123 21.033 1.00 50.45 O HETATM 2686 O HOH 42 97.857 31.099 3.641 1.00 34.81 O HETATM 2687 O HOH 43 90.593 9.602 13.651 1.00 28.37 O HETATM 2688 O HOH 44 107.325 9.890 4.137 1.00 23.93 O HETATM 2689 O HOH 45 82.105 -1.036 2.951 1.00 42.93 O HETATM 2690 O HOH 46 99.753 26.529 28.086 1.00 39.76 O HETATM 2691 O HOH 47 84.613 -4.593 13.001 1.00 17.16 O HETATM 2692 O HOH 48 97.934 -17.558 9.294 1.00 16.06 O HETATM 2693 O HOH 49 97.961 0.627 38.351 1.00 25.73 O HETATM 2694 O HOH 50 107.876 -0.129 28.775 1.00 16.53 O HETATM 2695 O HOH 51 91.019 4.181 26.870 1.00 29.03 O HETATM 2696 O HOH 52 92.131 -11.322 39.963 1.00 21.11 O HETATM 2697 O HOH 53 90.231 8.980 7.079 1.00 22.78 O HETATM 2698 O HOH 54 94.822 -2.604 37.255 1.00 29.70 O HETATM 2699 O HOH 55 84.269 -0.884 10.916 1.00 25.18 O HETATM 2700 O HOH 56 89.281 -15.088 12.303 1.00 21.27 O HETATM 2701 O HOH 57 95.453 -2.545 25.654 1.00 11.04 O HETATM 2702 O HOH 58 110.520 22.190 2.088 1.00 33.35 O HETATM 2703 O HOH 59 114.099 2.451 21.283 1.00 30.87 O HETATM 2704 O HOH 60 107.320 -0.321 4.536 1.00 27.25 O HETATM 2705 O HOH 61 82.247 1.166 5.877 1.00 30.89 O HETATM 2706 O HOH 62 95.694 10.455 20.806 1.00 45.55 O HETATM 2707 O HOH 63 85.757 11.066 5.407 1.00 50.14 O HETATM 2708 O HOH 64 99.994 -0.165 2.819 1.00 21.71 O HETATM 2709 O HOH 65 86.515 -15.799 10.514 1.00 34.22 O HETATM 2710 O HOH 66 102.458 10.430 0.442 1.00 32.38 O HETATM 2711 O HOH 67 118.124 12.669 12.522 1.00 28.94 O HETATM 2712 O HOH 68 100.806 12.288 -0.453 1.00 45.84 O HETATM 2713 O HOH 69 110.601 -6.720 24.142 1.00 17.50 O HETATM 2714 O HOH 70 93.362 -15.015 4.707 1.00 33.94 O HETATM 2715 O HOH 71 113.482 -6.299 10.708 1.00 17.18 O HETATM 2716 O HOH 72 106.365 38.460 12.305 1.00 35.71 O HETATM 2717 O HOH 73 89.900 -21.559 11.025 1.00 27.27 O HETATM 2718 O HOH 74 115.541 27.143 6.510 1.00 46.47 O HETATM 2719 O HOH 75 82.190 1.210 10.039 1.00 19.95 O HETATM 2720 O HOH 76 92.176 11.550 26.977 1.00 55.38 O HETATM 2721 O HOH 77 119.581 5.170 18.696 1.00 26.55 O HETATM 2722 O HOH 78 101.132 -12.043 29.408 1.00 28.38 O HETATM 2723 O HOH 79 98.916 -2.447 1.935 1.00 21.17 O HETATM 2724 O HOH 80 95.769 -1.179 27.973 1.00 18.96 O HETATM 2725 O HOH 81 112.374 0.398 9.262 1.00 20.33 O HETATM 2726 O HOH 82 107.240 -12.609 21.581 1.00 31.98 O HETATM 2727 O HOH 83 109.415 -4.878 22.391 1.00 14.86 O HETATM 2728 O HOH 84 97.613 24.159 16.761 1.00 45.92 O HETATM 2729 O HOH 85 97.636 12.449 12.479 1.00 39.72 O HETATM 2730 O HOH 86 108.435 -16.281 3.356 1.00 28.50 O HETATM 2731 O HOH 87 109.430 26.763 -0.023 1.00 33.65 O HETATM 2732 O HOH 88 87.248 -7.645 10.151 1.00 30.95 O HETATM 2733 O HOH 89 102.760 -11.282 -1.963 1.00 40.38 O HETATM 2734 O HOH 90 86.644 -8.429 12.883 1.00 19.36 O HETATM 2735 O HOH 91 112.052 -10.009 22.353 1.00 36.86 O HETATM 2736 O HOH 92 92.622 -15.161 22.991 1.00 30.00 O HETATM 2737 O HOH 93 101.005 23.545 21.097 1.00 39.89 O HETATM 2738 O HOH 94 110.783 -15.017 3.272 1.00 44.84 O HETATM 2739 O HOH 95 93.548 -14.739 27.517 1.00 44.07 O HETATM 2740 O HOH 96 93.818 31.327 1.470 1.00 44.03 O HETATM 2741 O HOH 97 111.523 1.756 31.537 1.00 29.74 O HETATM 2742 O HOH 98 97.738 8.093 -6.566 1.00 43.54 O HETATM 2743 O HOH 99 92.854 11.236 13.928 1.00 30.04 O HETATM 2744 O HOH 100 115.011 -6.734 25.967 1.00 42.32 O HETATM 2745 O HOH 101 116.248 -1.244 19.336 1.00 31.00 O HETATM 2746 O HOH 102 103.188 -1.303 42.395 1.00 30.77 O HETATM 2747 O HOH 103 106.857 -6.991 2.384 1.00 36.23 O HETATM 2748 O HOH 104 102.437 3.956 22.011 1.00 12.96 O HETATM 2749 O HOH 105 87.370 -7.494 0.498 1.00 40.01 O HETATM 2750 O HOH 106 100.461 4.201 24.720 1.00 17.54 O HETATM 2751 O HOH 107 108.847 32.323 -7.325 1.00 45.48 O HETATM 2752 O HOH 108 112.962 2.120 24.351 1.00 21.29 O HETATM 2753 O HOH 109 101.955 34.439 21.889 1.00 33.89 O HETATM 2754 O HOH 110 91.780 -21.780 8.212 1.00 26.85 O HETATM 2755 O HOH 111 86.463 4.958 31.278 1.00 39.25 O HETATM 2756 O HOH 112 85.593 -19.480 12.955 1.00 35.46 O HETATM 2757 O HOH 113 87.904 19.624 13.038 1.00 40.99 O HETATM 2758 O HOH 114 115.643 0.867 12.063 1.00 27.77 O HETATM 2759 O HOH 115 111.870 36.197 5.571 1.00 35.72 O HETATM 2760 O HOH 116 104.242 17.662 0.192 1.00 45.78 O HETATM 2761 O HOH 117 103.193 10.189 31.845 1.00 42.76 O HETATM 2762 O HOH 118 86.542 -9.780 17.559 1.00 28.37 O HETATM 2763 O HOH 119 100.641 22.389 24.081 1.00 43.16 O HETATM 2764 O HOH 120 91.521 -11.363 1.514 1.00 25.15 O HETATM 2765 O HOH 121 89.793 6.517 -0.802 1.00 41.68 O HETATM 2766 O HOH 122 89.113 -17.315 19.233 1.00 41.13 O HETATM 2767 O HOH 123 111.985 -13.479 12.089 1.00 36.59 O HETATM 2768 O HOH 124 94.435 -7.201 24.275 1.00 11.72 O HETATM 2769 O HOH 125 86.810 -6.085 32.946 1.00 28.27 O HETATM 2770 O HOH 126 109.949 10.832 6.927 1.00 17.11 O HETATM 2771 O HOH 127 112.493 0.233 6.680 1.00 26.94 O HETATM 2772 O HOH 128 100.725 35.261 19.861 1.00 30.78 O HETATM 2773 O HOH 129 112.231 4.572 3.801 1.00 26.43 O HETATM 2774 O HOH 130 103.109 20.612 30.235 1.00 59.67 O HETATM 2775 O HOH 131 84.716 -12.733 19.273 1.00 36.57 O HETATM 2776 O HOH 132 102.128 1.952 25.280 1.00 13.59 O HETATM 2777 O HOH 133 111.049 26.747 20.911 1.00 42.77 O HETATM 2778 O HOH 134 100.881 -6.781 1.038 1.00 39.32 O HETATM 2779 O HOH 135 95.222 -17.617 -3.489 1.00 45.06 O HETATM 2780 O HOH 136 100.735 -16.034 20.368 1.00 32.16 O HETATM 2781 O HOH 137 104.489 -12.111 29.925 1.00 25.63 O HETATM 2782 O HOH 138 98.917 4.549 22.407 1.00 22.07 O HETATM 2783 O HOH 139 101.922 1.132 4.416 1.00 16.86 O HETATM 2784 O HOH 140 111.950 -12.711 14.831 1.00 41.24 O HETATM 2785 O HOH 141 102.513 -18.954 -0.446 1.00 25.59 O HETATM 2786 O HOH 142 89.148 -15.100 20.221 1.00 28.58 O HETATM 2787 O HOH 143 111.300 9.567 22.872 1.00 28.32 O HETATM 2788 O HOH 144 110.085 -7.680 31.279 1.00 29.82 O HETATM 2789 O HOH 145 100.317 -16.497 22.563 1.00 47.20 O HETATM 2790 O HOH 146 92.818 7.282 -2.609 1.00 31.40 O HETATM 2791 O HOH 147 97.978 17.799 12.895 1.00 37.96 O HETATM 2792 O HOH 148 107.653 20.964 -11.895 1.00 52.15 O HETATM 2793 O HOH 149 87.557 -17.981 11.419 1.00 35.30 O HETATM 2794 O HOH 150 89.415 -1.962 -2.266 1.00 33.41 O HETATM 2795 O HOH 151 112.901 27.225 11.253 1.00 43.63 O HETATM 2796 O HOH 152 106.942 -5.404 31.932 1.00 25.42 O HETATM 2797 O HOH 153 115.173 0.582 19.833 1.00 35.35 O HETATM 2798 O HOH 154 86.771 -13.940 18.380 1.00 22.12 O HETATM 2799 O HOH 155 110.708 14.904 7.178 1.00 26.63 O HETATM 2800 O HOH 156 87.275 3.906 34.419 1.00 35.08 O HETATM 2801 O HOH 157 103.886 38.233 11.224 1.00 27.62 O HETATM 2802 O HOH 158 90.547 11.466 8.823 1.00 24.18 O HETATM 2803 O HOH 159 100.464 6.338 37.473 1.00 35.89 O HETATM 2804 O HOH 160 84.569 2.610 25.700 1.00 45.81 O HETATM 2805 O HOH 161 79.765 -1.924 8.067 1.00 30.85 O HETATM 2806 O HOH 162 98.286 -1.536 34.471 1.00 41.81 O HETATM 2807 O HOH 163 96.115 34.136 14.970 1.00 45.48 O HETATM 2808 O HOH 164 91.317 -13.543 26.717 1.00 22.63 O HETATM 2809 O HOH 165 87.547 25.651 3.518 1.00 46.02 O HETATM 2810 O HOH 166 115.373 -9.142 17.593 1.00 37.32 O HETATM 2811 O HOH 167 110.151 27.797 -3.888 1.00 43.60 O HETATM 2812 O HOH 168 111.815 -11.301 6.611 1.00 29.99 O HETATM 2813 O HOH 169 114.523 -10.181 19.569 1.00 48.75 O HETATM 2814 O HOH 170 110.415 29.093 1.191 1.00 31.21 O HETATM 2815 O HOH 171 107.887 13.377 22.328 1.00 48.22 O HETATM 2816 O HOH 172 112.491 31.484 4.497 1.00 44.45 O HETATM 2817 O HOH 173 112.802 14.193 5.595 1.00 39.40 O HETATM 2818 O HOH 174 112.137 -1.908 5.041 1.00 41.39 O HETATM 2819 O HOH 175 107.022 11.218 22.858 1.00 48.69 O HETATM 2820 O HOH 176 89.111 3.639 18.562 1.00 30.58 O HETATM 2821 O HOH 177 80.605 -5.036 29.880 1.00 46.35 O HETATM 2822 O HOH 178 119.102 17.959 12.413 1.00 47.35 O HETATM 2823 O HOH 179 110.713 4.341 30.731 1.00 43.02 O HETATM 2824 O HOH 180 104.440 0.881 2.823 1.00 17.33 O HETATM 2825 O HOH 181 102.818 30.087 -3.755 1.00 45.68 O HETATM 2826 O HOH 182 102.198 33.157 8.230 1.00 37.80 O HETATM 2827 O HOH 183 95.893 14.653 11.667 1.00 40.65 O HETATM 2828 O HOH 184 101.833 28.064 -3.311 1.00 35.24 O HETATM 2829 O HOH 185 88.775 11.457 7.118 1.00 45.41 O HETATM 2830 O HOH 186 95.200 32.537 10.265 1.00 48.85 O HETATM 2831 O HOH 187 105.657 32.778 29.313 1.00 42.85 O HETATM 2832 O HOH 188 87.807 7.630 17.264 1.00 40.96 O HETATM 2833 O HOH 189 102.021 37.654 8.193 1.00 45.79 O HETATM 2834 O HOH 190 102.317 13.111 23.374 1.00 50.74 O HETATM 2835 O HOH 191 108.552 -3.185 32.982 1.00 33.39 O HETATM 2836 O HOH 192 104.939 7.584 -0.261 1.00 44.07 O HETATM 2837 O HOH 193 97.708 -13.664 28.926 1.00 41.78 O HETATM 2838 O HOH 194 95.898 -14.934 1.282 1.00 44.32 O HETATM 2839 O HOH 195 94.857 30.864 21.971 1.00 62.82 O HETATM 2840 O HOH 196 98.066 34.855 14.380 1.00 35.61 O HETATM 2841 O HOH 197 88.228 9.452 13.884 1.00 40.47 O HETATM 2842 O HOH 198 86.948 -9.116 7.800 1.00 36.96 O HETATM 2843 O HOH 199 90.191 -13.432 30.864 1.00 32.11 O HETATM 2844 O HOH 200 117.744 17.585 10.717 1.00 52.16 O HETATM 2845 O HOH 201 99.453 -12.753 27.569 1.00 45.48 O HETATM 2846 O HOH 202 100.260 -2.508 39.801 1.00 48.98 O HETATM 2847 O HOH 203 93.281 -23.464 6.155 1.00 51.50 O HETATM 2848 O HOH 204 102.473 -5.272 41.386 1.00 43.97 O HETATM 2849 O HOH 205 120.433 18.060 14.741 1.00 53.57 O HETATM 2850 O HOH 206 105.031 12.421 23.068 1.00 41.36 O HETATM 2851 O HOH 207 81.862 -0.212 21.585 1.00 28.29 O HETATM 2852 O HOH 208 99.344 0.022 40.344 1.00 29.78 O HETATM 2853 O HOH 209 98.715 -11.603 33.292 1.00 49.32 O HETATM 2854 O HOH 210 89.746 7.937 18.536 1.00 43.91 O HETATM 2855 O HOH 211 110.732 12.009 4.628 1.00 31.48 O HETATM 2856 O HOH 212 89.334 -9.505 6.445 1.00 37.65 O HETATM 2857 O HOH 213 111.295 33.428 5.808 1.00 32.81 O HETATM 2858 O HOH 214 92.891 12.003 16.545 1.00 49.83 O HETATM 2859 O HOH 215 84.599 -7.153 13.856 1.00 31.40 O HETATM 2860 O HOH 216 113.673 -6.875 8.007 1.00 33.21 O HETATM 2861 O HOH 217 101.021 35.222 17.183 1.00 34.08 O HETATM 2862 O HOH 218 99.227 37.384 14.372 1.00 48.29 O HETATM 2863 O HOH 219 84.891 -13.075 21.963 1.00 39.60 O HETATM 2864 O HOH 220 84.855 -7.779 16.275 1.00 49.05 O HETATM 2865 O HOH 221 88.986 -14.832 22.714 1.00 44.64 O HETATM 2866 O HOH 222 87.747 -13.875 24.428 1.00 35.90 O HETATM 2867 O HOH 223 86.095 -11.546 24.040 1.00 46.53 O HETATM 2868 O HOH 224 110.595 24.410 0.718 1.00 44.62 O HETATM 2869 O HOH 225 73.898 -19.007 7.300 1.00 57.30 O HETATM 2870 O HOH 226 106.326 -17.519 8.646 1.00 48.51 O HETATM 2871 O HOH 227 88.409 -11.876 31.940 1.00 46.54 O HETATM 2872 CAS UNN A 228 88.405 17.038 3.377 1.00 -0.03 C HETATM 2873 CAT UNN A 228 87.529 17.297 2.139 1.00 -0.04 C HETATM 2874 CAU UNN A 228 88.259 18.140 1.060 1.00 0.01 C HETATM 2875 CAV UNN A 228 88.660 17.310 -0.182 1.00 0.04 C HETATM 2876 OAX UNN A 228 89.879 17.202 -0.448 1.00 -0.57 O HETATM 2877 OAW UNN A 228 87.722 16.849 -0.871 1.00 -0.57 O HETATM 2878 CAY UNN A 228 89.457 18.895 1.668 1.00 -0.04 C HETATM 2879 CAZ UNN A 228 90.469 17.983 2.372 1.00 -0.03 C HETATM 2880 CAR UNN A 228 89.807 16.719 2.912 1.00 0.04 C HETATM 2881 NAQ UNN A 228 90.644 16.226 4.009 1.00 -0.28 N HETATM 2882 CAP UNN A 228 90.750 14.936 4.339 1.00 0.20 C HETATM 2883 OBA UNN A 228 90.200 14.002 3.750 1.00 -0.38 O HETATM 2884 CAO UNN A 228 91.648 14.725 5.372 1.00 0.04 C HETATM 2885 CBB UNN A 228 92.998 14.765 5.048 1.00 -0.02 C HETATM 2886 CAK UNN A 228 93.954 14.610 6.005 1.00 0.07 C HETATM 2887 CAL UNN A 228 93.555 14.352 7.322 1.00 -0.03 C HETATM 2888 CAM UNN A 228 92.200 14.313 7.660 1.00 -0.07 C HETATM 2889 CAN UNN A 228 91.247 14.514 6.676 1.00 -0.05 C HETATM 2890 H13 UNN A 228 90.193 14.506 6.928 1.00 0.06 H HETATM 2891 H14 UNN A 228 91.897 14.127 8.684 1.00 0.06 H HETATM 2892 H15 UNN A 228 94.304 14.181 8.086 1.00 0.06 H HETATM 2893 NAJ UNN A 228 95.247 14.630 5.531 1.00 -0.23 N HETATM 2894 CAI UNN A 228 96.276 15.070 6.261 1.00 0.21 C HETATM 2895 SBC UNN A 228 96.153 15.850 7.806 1.00 0.03 S HETATM 2896 CAF UNN A 228 97.882 16.054 7.903 1.00 0.11 C HETATM 2897 CAG UNN A 228 98.443 15.524 6.763 1.00 -0.01 C HETATM 2898 NAH UNN A 228 97.550 15.024 5.850 1.00 -0.30 N HETATM 2899 H17 UNN A 228 99.519 15.503 6.598 1.00 0.06 H HETATM 2900 CAE UNN A 228 98.446 16.608 9.023 1.00 0.23 C HETATM 2901 OBD UNN A 228 97.705 16.821 9.984 1.00 -0.39 O HETATM 2902 NAD UNN A 228 99.783 16.877 9.089 1.00 -0.24 N HETATM 2903 CAC UNN A 228 100.369 17.361 10.228 1.00 0.08 C HETATM 2904 CAB UNN A 228 100.687 18.718 10.314 1.00 0.05 C HETATM 2905 CLA UNN A 228 100.296 19.825 9.044 1.00 -0.09 CL HETATM 2906 CBI UNN A 228 101.364 19.209 11.443 1.00 -0.07 C HETATM 2907 CBH UNN A 228 101.677 18.357 12.497 1.00 -0.08 C HETATM 2908 CBG UNN A 228 101.361 16.999 12.403 1.00 -0.07 C HETATM 2909 CBE UNN A 228 100.734 16.495 11.274 1.00 -0.02 C HETATM 2910 CBF UNN A 228 100.444 15.108 11.228 1.00 -0.04 C HETATM 2911 H22 UNN A 228 99.951 14.868 10.275 1.00 0.04 H HETATM 2912 H23 UNN A 228 99.777 14.845 12.062 1.00 0.04 H HETATM 2913 H24 UNN A 228 101.379 14.535 11.311 1.00 0.04 H HETATM 2914 H21 UNN A 228 101.609 16.333 13.221 1.00 0.05 H HETATM 2915 H20 UNN A 228 102.163 18.744 13.386 1.00 0.05 H HETATM 2916 H19 UNN A 228 101.643 20.255 11.493 1.00 0.05 H HETATM 2917 H18 UNN A 228 100.351 16.716 8.282 1.00 0.22 H HETATM 2918 H16 UNN A 228 95.428 14.292 4.575 1.00 0.22 H HETATM 2919 H12 UNN A 228 93.295 14.922 4.017 1.00 0.06 H HETATM 2920 H11 UNN A 228 91.165 16.893 4.541 1.00 0.18 H HETATM 2921 H10 UNN A 228 89.756 15.957 2.120 1.00 0.06 H HETATM 2922 H8 UNN A 228 90.923 18.533 3.209 1.00 0.03 H HETATM 2923 H9 UNN A 228 91.251 17.697 1.654 1.00 0.03 H HETATM 2924 H6 UNN A 228 89.074 19.620 2.401 1.00 0.03 H HETATM 2925 H7 UNN A 228 89.976 19.431 0.860 1.00 0.03 H HETATM 2926 H5 UNN A 228 87.544 18.900 0.712 1.00 0.05 H HETATM 2927 H3 UNN A 228 86.623 17.836 2.454 1.00 0.03 H HETATM 2928 H4 UNN A 228 87.246 16.330 1.699 1.00 0.03 H HETATM 2929 H1 UNN A 228 88.001 16.189 3.947 1.00 0.03 H HETATM 2930 H2 UNN A 228 88.420 17.934 4.015 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1479 1480 1491 1492 1493 CONECT 1491 1479 CONECT 1492 1479 CONECT 1493 1479 CONECT 2591 2592 2598 2599 2600 CONECT 2598 2591 CONECT 2599 2591 CONECT 2600 2591 CONECT 2872 2873 2880 2929 2930 CONECT 2873 2872 2874 2927 2928 CONECT 2874 2873 2875 2878 2926 CONECT 2875 2874 2876 2877 CONECT 2876 2875 CONECT 2877 2875 CONECT 2878 2874 2879 2924 2925 CONECT 2879 2878 2880 2922 2923 CONECT 2880 2872 2879 2881 2921 CONECT 2881 2880 2882 2920 CONECT 2882 2881 2883 2884 CONECT 2883 2882 CONECT 2884 2882 2885 2889 CONECT 2885 2884 2886 2919 CONECT 2886 2885 2887 2893 CONECT 2887 2886 2888 2892 CONECT 2888 2887 2889 2891 CONECT 2889 2884 2888 2890 CONECT 2890 2889 CONECT 2891 2888 CONECT 2892 2887 CONECT 2893 2886 2894 2918 CONECT 2894 2893 2895 2898 CONECT 2895 2894 2896 CONECT 2896 2895 2897 2900 CONECT 2897 2896 2898 2899 CONECT 2898 2894 2897 CONECT 2899 2897 CONECT 2900 2896 2901 2902 CONECT 2901 2900 CONECT 2902 2900 2903 2917 CONECT 2903 2902 2904 2909 CONECT 2904 2903 2905 2906 CONECT 2905 2904 CONECT 2906 2904 2907 2916 CONECT 2907 2906 2908 2915 CONECT 2908 2907 2909 2914 CONECT 2909 2903 2908 2910 CONECT 2910 2909 2911 2912 2913 CONECT 2911 2910 CONECT 2912 2910 CONECT 2913 2910 CONECT 2914 2908 CONECT 2915 2907 CONECT 2916 2906 CONECT 2917 2902 CONECT 2918 2893 CONECT 2919 2885 CONECT 2920 2881 CONECT 2921 2880 CONECT 2922 2879 CONECT 2923 2879 CONECT 2924 2878 CONECT 2925 2878 CONECT 2926 2874 CONECT 2927 2873 CONECT 2928 2873 CONECT 2929 2872 CONECT 2930 2872 MASTER 0 0 0 0 0 0 0 0 2927 3 71 22 END
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Related entries of code: 5nka
Entries with 90% protein sequence similarity cutoff in PDBbind
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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%
5ia4
RCSB PDB
PDBbind
306aa, >5IA4_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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nka
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ephrin type-A receptor 2
Ligand Name
91H
EC.Number
E.C.2.7.10.1
Resolution
1.38(Å)
Affinity (Kd/Ki/IC50)
Kd=3.5uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ChemMedChem Vol. 12: pp. 999-1011
Ligand Properties
Formula
C
2
5
H
2
5
ClN
4
O
4
S
Molecular Weight
513.008
Exact Mass
512.129
No. of atoms
60
No. of bonds
63
Polar Surface Area
148.66
LOGP Value
6.27 (
Computed with XLOGP3
)
6.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=C(c1cccc(c1)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl)N[C@@H]1CC[C@H](CC1)C(=O)O
InChI String
InChI=1S/C25H25ClN4O4S/c1-14-4-2-7-19(26)21(14)30-23(32)20-13-27-25(35-20)29-18-6-3-5-16(12-18)22(31)28-17-10-8-15(9-11-17)24(33)34/h2-7,12-13,15,17H,8-11H2,1H3,(H,27,29)(H,28,31)(H,30,32)(H,33,34)/t15-,17-
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P29317
Entrez Gene ID
NCBI Entrez Gene ID:
1969
ASD
Information of known allosteric effects of PDB entries
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