Browse entries in the PDBbind-CN Database
HEADER 4RH5_COMPLEX COMPND 4RH5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 280 ASP THR LEU GLU GLY SER MET ALA GLN LEU LYS LYS GLY SEQRES 2 A 280 LEU GLU SER GLY THR VAL LEU ILE GLN PHE GLU GLN LEU SEQRES 3 A 280 TYR ARG LYS LYS PRO GLY LEU ALA ILE THR PHE ALA LYS SEQRES 4 A 280 LEU PRO GLN ASN LEU ASP LYS ASN ARG TYR LYS ASP VAL SEQRES 5 A 280 LEU PRO TYR ASP THR THR ARG VAL LEU LEU GLN GLY ASN SEQRES 6 A 280 GLU ASP TYR ILE ASN ALA SER TYR VAL ASN MET GLU ILE SEQRES 7 A 280 PRO ALA ALA ASN LEU VAL ASN LYS TYR ILE ALA THR GLN SEQRES 8 A 280 GLY PRO LEU PRO HIS THR CYS ALA GLN PHE TRP GLN VAL SEQRES 9 A 280 VAL TRP ASP GLN LYS LEU SER LEU ILE VAL MET LEU THR SEQRES 10 A 280 THR LEU THR GLU ARG GLY ARG THR LYS CYS HIS GLN TYR SEQRES 11 A 280 TRP PRO ASP PRO PRO ASP VAL MET ASN HIS GLY GLY PHE SEQRES 12 A 280 HIS ILE GLN CYS GLN SER GLU ASP CYS THR ILE ALA TYR SEQRES 13 A 280 VAL SER ARG GLU MET LEU VAL THR ASN THR GLN THR GLY SEQRES 14 A 280 GLU GLU HIS THR VAL THR HIS LEU GLN TYR VAL ALA TRP SEQRES 15 A 280 PRO ALA HIS GLY VAL PRO ASP ASP SER SER ASP PHE LEU SEQRES 16 A 280 GLU PHE VAL ASN TYR VAL ARG SER LEU ARG VAL ASP SER SEQRES 17 A 280 GLU PRO VAL LEU VAL HIS SER SER ALA GLY ILE GLY ARG SEQRES 18 A 280 THR GLY VAL LEU VAL THR MET GLU THR ALA MET CYS LEU SEQRES 19 A 280 THR GLU ARG ASN LEU PRO ILE TYR PRO LEU ASP ILE VAL SEQRES 20 A 280 ARG LYS MET ARG ASP GLN ARG ALA MET MET VAL GLN THR SEQRES 21 A 280 SER SER GLN TYR LYS PHE VAL CYS GLU ALA ILE LEU ARG SEQRES 22 A 280 VAL TYR GLU GLU GLY LEU VAL HET PHE A 539 93 ATOM 1 N ASP A 628 28.103 -12.099 1.152 1.00 45.39 N ATOM 2 CA ASP A 628 28.580 -12.774 2.351 1.00 38.58 C ATOM 3 C ASP A 628 27.474 -13.654 2.962 1.00 31.80 C ATOM 4 O ASP A 628 26.560 -14.093 2.259 1.00 37.83 O ATOM 5 CB ASP A 628 29.074 -11.737 3.365 1.00 36.29 C ATOM 6 CG ASP A 628 29.949 -12.339 4.449 1.00 39.05 C ATOM 7 OD1 ASP A 628 30.619 -13.361 4.190 1.00 53.81 O ATOM 8 OD2 ASP A 628 29.941 -11.796 5.572 1.00 48.70 O ATOM 9 HN3 ASP A 628 27.291 -11.496 1.395 1.00 0.00 H ATOM 10 HN2 ASP A 628 27.812 -12.808 0.449 1.00 0.00 H ATOM 11 HN1 ASP A 628 28.866 -11.512 0.759 1.00 0.00 H ATOM 12 N THR A 629 27.565 -13.894 4.266 1.00 26.96 N ATOM 13 CA THR A 629 26.660 -14.769 4.994 1.00 41.81 C ATOM 14 C THR A 629 26.217 -14.114 6.311 1.00 31.21 C ATOM 15 O THR A 629 26.789 -13.102 6.745 1.00 29.76 O ATOM 16 CB THR A 629 27.338 -16.119 5.313 1.00 35.11 C ATOM 17 OG1 THR A 629 28.434 -15.885 6.202 1.00 30.40 O ATOM 18 CG2 THR A 629 27.819 -16.805 4.036 1.00 30.57 C ATOM 19 HG1 THR A 629 28.876 -16.745 6.413 1.00 0.00 H ATOM 20 H THR A 629 28.328 -13.429 4.797 1.00 0.00 H ATOM 21 N LEU A 630 25.233 -14.714 6.968 1.00 26.23 N ATOM 22 CA LEU A 630 24.791 -14.179 8.237 1.00 21.94 C ATOM 23 C LEU A 630 25.950 -14.158 9.216 1.00 21.17 C ATOM 24 O LEU A 630 26.212 -13.155 9.870 1.00 23.07 O ATOM 25 CB LEU A 630 23.604 -14.976 8.800 1.00 17.17 C ATOM 26 CG LEU A 630 23.171 -14.548 10.192 1.00 22.10 C ATOM 27 CD1 LEU A 630 22.860 -13.045 10.231 1.00 20.01 C ATOM 28 CD2 LEU A 630 21.971 -15.345 10.620 1.00 30.36 C ATOM 29 H LEU A 630 24.782 -15.564 6.573 1.00 0.00 H ATOM 30 N GLU A 631 26.680 -15.269 9.305 1.00 27.38 N ATOM 31 CA GLU A 631 27.770 -15.370 10.262 1.00 28.17 C ATOM 32 C GLU A 631 28.804 -14.283 9.992 1.00 20.55 C ATOM 33 O GLU A 631 29.265 -13.602 10.912 1.00 21.60 O ATOM 34 CB GLU A 631 28.421 -16.753 10.187 1.00 30.27 C ATOM 35 CG GLU A 631 29.601 -16.948 11.129 1.00 32.67 C ATOM 36 CD GLU A 631 30.268 -18.297 10.953 1.00 35.90 C ATOM 37 OE1 GLU A 631 29.792 -19.095 10.118 1.00 37.55 O ATOM 38 OE2 GLU A 631 31.269 -18.562 11.653 1.00 38.23 O ATOM 39 H GLU A 631 26.467 -16.074 8.682 1.00 0.00 H ATOM 40 N GLY A 632 29.158 -14.119 8.724 1.00 27.46 N ATOM 41 CA GLY A 632 30.156 -13.141 8.366 1.00 27.91 C ATOM 42 C GLY A 632 29.699 -11.719 8.662 1.00 26.66 C ATOM 43 O GLY A 632 30.443 -10.944 9.268 1.00 22.80 O ATOM 44 H GLY A 632 28.713 -14.699 7.984 1.00 0.00 H ATOM 45 N SER A 633 28.471 -11.398 8.259 1.00 30.26 N ATOM 46 CA SER A 633 27.912 -10.065 8.510 1.00 24.81 C ATOM 47 C SER A 633 27.858 -9.767 10.005 1.00 19.29 C ATOM 48 O SER A 633 28.089 -8.643 10.438 1.00 24.04 O ATOM 49 CB SER A 633 26.521 -9.928 7.876 1.00 20.40 C ATOM 50 OG SER A 633 25.493 -10.666 8.538 1.00 15.98 O ATOM 51 HG SER A 633 25.721 -11.629 8.528 1.00 0.00 H ATOM 52 H SER A 633 27.897 -12.106 7.757 1.00 0.00 H ATOM 53 N MET A 634 27.597 -10.784 10.816 1.00 21.13 N ATOM 54 CA MET A 634 27.523 -10.573 12.251 1.00 17.12 C ATOM 55 C MET A 634 28.914 -10.397 12.838 1.00 21.71 C ATOM 56 O MET A 634 29.100 -9.643 13.781 1.00 21.05 O ATOM 57 CB MET A 634 26.770 -11.729 12.931 1.00 23.76 C ATOM 58 CG MET A 634 25.286 -11.794 12.563 1.00 23.85 C ATOM 59 SD MET A 634 24.253 -10.419 13.176 1.00 21.22 S ATOM 60 CE MET A 634 24.377 -9.237 11.820 1.00 15.82 C ATOM 61 H MET A 634 27.445 -11.735 10.423 1.00 0.00 H ATOM 62 N ALA A 635 29.904 -11.077 12.268 1.00 22.47 N ATOM 63 CA ALA A 635 31.263 -10.850 12.722 1.00 30.45 C ATOM 64 C ALA A 635 31.662 -9.404 12.447 1.00 21.61 C ATOM 65 O ALA A 635 32.210 -8.724 13.315 1.00 22.31 O ATOM 66 CB ALA A 635 32.225 -11.814 12.043 1.00 31.07 C ATOM 67 H ALA A 635 29.707 -11.760 11.509 1.00 0.00 H ATOM 68 N GLN A 636 31.375 -8.944 11.236 1.00 32.52 N ATOM 69 CA GLN A 636 31.711 -7.579 10.830 1.00 28.69 C ATOM 70 C GLN A 636 30.974 -6.548 11.667 1.00 22.02 C ATOM 71 O GLN A 636 31.538 -5.529 12.045 1.00 21.85 O ATOM 72 CB GLN A 636 31.388 -7.388 9.356 1.00 26.08 C ATOM 73 CG GLN A 636 31.671 -6.016 8.791 1.00 35.07 C ATOM 74 CD GLN A 636 31.036 -5.835 7.424 1.00 37.56 C ATOM 75 OE1 GLN A 636 31.068 -6.738 6.583 1.00 49.63 O ATOM 76 NE2 GLN A 636 30.434 -4.668 7.201 1.00 46.89 N ATOM 77 HE22 GLN A 636 30.431 -3.935 7.939 1.00 0.00 H ATOM 78 HE21 GLN A 636 29.966 -4.490 6.289 1.00 0.00 H ATOM 79 H GLN A 636 30.898 -9.571 10.557 1.00 0.00 H ATOM 80 N LEU A 637 29.702 -6.807 11.972 1.00 22.46 N ATOM 81 CA LEU A 637 28.932 -5.894 12.810 1.00 23.79 C ATOM 82 C LEU A 637 29.488 -5.865 14.236 1.00 21.76 C ATOM 83 O LEU A 637 29.639 -4.811 14.816 1.00 21.01 O ATOM 84 CB LEU A 637 27.449 -6.283 12.820 1.00 19.07 C ATOM 85 CG LEU A 637 26.522 -5.448 13.701 1.00 20.11 C ATOM 86 CD1 LEU A 637 26.487 -3.961 13.260 1.00 20.53 C ATOM 87 CD2 LEU A 637 25.148 -6.080 13.670 1.00 19.15 C ATOM 88 H LEU A 637 29.253 -7.671 11.608 1.00 0.00 H ATOM 89 N LYS A 638 29.798 -7.028 14.804 1.00 26.70 N ATOM 90 CA LYS A 638 30.415 -7.084 16.128 1.00 26.66 C ATOM 91 C LYS A 638 31.721 -6.275 16.142 1.00 23.26 C ATOM 92 O LYS A 638 31.915 -5.384 16.989 1.00 28.76 O ATOM 93 CB LYS A 638 30.695 -8.533 16.527 1.00 28.65 C ATOM 94 CG LYS A 638 31.187 -8.702 17.958 1.00 31.48 C ATOM 95 CD LYS A 638 31.543 -10.150 18.267 1.00 34.50 C ATOM 96 CE LYS A 638 30.320 -11.053 18.230 1.00 37.58 C ATOM 97 NZ LYS A 638 30.642 -12.448 18.638 1.00 38.20 N ATOM 98 HZ1 LYS A 638 31.356 -12.841 17.991 1.00 0.00 H ATOM 99 HZ2 LYS A 638 31.015 -12.447 19.609 1.00 0.00 H ATOM 100 HZ3 LYS A 638 29.779 -13.028 18.598 1.00 0.00 H ATOM 101 H LYS A 638 29.598 -7.913 14.296 1.00 0.00 H ATOM 102 N LYS A 639 32.589 -6.576 15.182 1.00 27.15 N ATOM 103 CA LYS A 639 33.895 -5.920 15.112 1.00 30.44 C ATOM 104 C LYS A 639 33.730 -4.417 14.904 1.00 29.06 C ATOM 105 O LYS A 639 34.381 -3.626 15.578 1.00 37.24 O ATOM 106 CB LYS A 639 34.749 -6.531 13.989 1.00 38.00 C ATOM 107 CG LYS A 639 36.174 -5.953 13.822 1.00 44.61 C ATOM 108 CD LYS A 639 37.139 -6.348 14.957 1.00 44.74 C ATOM 109 CE LYS A 639 37.092 -5.408 16.169 1.00 39.87 C ATOM 110 NZ LYS A 639 37.292 -3.972 15.816 1.00 41.83 N ATOM 111 HZ1 LYS A 639 38.222 -3.853 15.365 1.00 0.00 H ATOM 112 HZ2 LYS A 639 36.545 -3.671 15.158 1.00 0.00 H ATOM 113 HZ3 LYS A 639 37.248 -3.395 16.680 1.00 0.00 H ATOM 114 H LYS A 639 32.336 -7.289 14.469 1.00 0.00 H ATOM 115 N GLY A 640 32.831 -4.034 14.001 1.00 29.96 N ATOM 116 CA GLY A 640 32.577 -2.634 13.704 1.00 23.34 C ATOM 117 C GLY A 640 31.906 -1.876 14.828 1.00 30.71 C ATOM 118 O GLY A 640 32.043 -0.659 14.942 1.00 24.49 O ATOM 119 H GLY A 640 32.291 -4.762 13.490 1.00 0.00 H ATOM 120 N LEU A 641 31.139 -2.579 15.656 1.00 27.15 N ATOM 121 CA LEU A 641 30.619 -1.967 16.869 1.00 27.77 C ATOM 122 C LEU A 641 31.774 -1.707 17.820 1.00 33.21 C ATOM 123 O LEU A 641 31.869 -0.645 18.432 1.00 27.35 O ATOM 124 CB LEU A 641 29.563 -2.853 17.535 1.00 29.98 C ATOM 125 CG LEU A 641 28.157 -2.695 16.953 1.00 29.40 C ATOM 126 CD1 LEU A 641 27.261 -3.823 17.430 1.00 29.03 C ATOM 127 CD2 LEU A 641 27.563 -1.333 17.312 1.00 28.52 C ATOM 128 H LEU A 641 30.910 -3.569 15.436 1.00 0.00 H ATOM 129 N GLU A 642 32.679 -2.676 17.933 1.00 31.57 N ATOM 130 CA GLU A 642 33.837 -2.490 18.804 1.00 40.85 C ATOM 131 C GLU A 642 34.812 -1.450 18.227 1.00 35.91 C ATOM 132 O GLU A 642 35.417 -0.697 18.981 1.00 36.64 O ATOM 133 CB GLU A 642 34.536 -3.827 19.053 1.00 36.29 C ATOM 134 CG GLU A 642 33.739 -4.746 19.973 1.00 35.04 C ATOM 135 CD GLU A 642 34.562 -5.890 20.530 1.00 34.54 C ATOM 136 OE1 GLU A 642 34.056 -6.607 21.419 1.00 33.76 O ATOM 137 OE2 GLU A 642 35.713 -6.074 20.083 1.00 35.06 O ATOM 138 H GLU A 642 32.562 -3.563 17.403 1.00 0.00 H ATOM 139 N SER A 643 34.938 -1.391 16.898 1.00 42.28 N ATOM 140 CA SER A 643 35.800 -0.400 16.236 1.00 38.78 C ATOM 141 C SER A 643 35.345 1.028 16.479 1.00 38.66 C ATOM 142 O SER A 643 36.112 1.879 16.931 1.00 55.98 O ATOM 143 CB SER A 643 35.825 -0.593 14.716 1.00 35.76 C ATOM 144 OG SER A 643 35.855 -1.944 14.310 1.00 54.00 O ATOM 145 HG SER A 643 35.050 -2.408 14.651 1.00 0.00 H ATOM 146 H SER A 643 34.409 -2.068 16.312 1.00 0.00 H ATOM 147 N GLY A 644 34.081 1.269 16.128 1.00 32.27 N ATOM 148 CA GLY A 644 33.548 2.604 15.951 1.00 28.59 C ATOM 149 C GLY A 644 33.131 2.824 14.508 1.00 27.81 C ATOM 150 O GLY A 644 32.445 3.798 14.219 1.00 30.97 O ATOM 151 H GLY A 644 33.447 0.459 15.974 1.00 0.00 H ATOM 152 N THR A 645 33.511 1.914 13.609 1.00 22.77 N ATOM 153 CA THR A 645 33.307 2.124 12.174 1.00 24.87 C ATOM 154 C THR A 645 31.828 2.082 11.791 1.00 27.49 C ATOM 155 O THR A 645 31.407 2.814 10.891 1.00 25.45 O ATOM 156 CB THR A 645 34.067 1.094 11.299 1.00 28.47 C ATOM 157 OG1 THR A 645 33.564 -0.227 11.513 1.00 41.99 O ATOM 158 CG2 THR A 645 35.527 1.124 11.600 1.00 27.87 C ATOM 159 HG1 THR A 645 34.064 -0.865 10.945 1.00 0.00 H ATOM 160 H THR A 645 33.962 1.036 13.935 1.00 0.00 H ATOM 161 N VAL A 646 31.036 1.239 12.454 1.00 25.15 N ATOM 162 CA VAL A 646 29.619 1.176 12.087 1.00 23.19 C ATOM 163 C VAL A 646 28.956 2.499 12.422 1.00 22.06 C ATOM 164 O VAL A 646 28.161 2.975 11.648 1.00 22.89 O ATOM 165 CB VAL A 646 28.854 0.000 12.755 1.00 30.35 C ATOM 166 CG1 VAL A 646 29.475 -1.306 12.344 1.00 25.56 C ATOM 167 CG2 VAL A 646 28.824 0.110 14.247 1.00 38.68 C ATOM 168 H VAL A 646 31.415 0.640 13.215 1.00 0.00 H ATOM 169 N LEU A 647 29.327 3.134 13.526 1.00 20.84 N ATOM 170 CA LEU A 647 28.757 4.435 13.870 1.00 25.63 C ATOM 171 C LEU A 647 29.228 5.555 12.938 1.00 28.09 C ATOM 172 O LEU A 647 28.455 6.456 12.601 1.00 23.35 O ATOM 173 CB LEU A 647 29.087 4.799 15.323 1.00 31.09 C ATOM 174 CG LEU A 647 27.910 4.792 16.304 1.00 35.73 C ATOM 175 CD1 LEU A 647 27.188 3.453 16.306 1.00 37.47 C ATOM 176 CD2 LEU A 647 28.382 5.136 17.702 1.00 36.94 C ATOM 177 H LEU A 647 30.033 2.700 14.155 1.00 0.00 H ATOM 178 N ILE A 648 30.481 5.498 12.499 1.00 24.41 N ATOM 179 CA ILE A 648 30.957 6.517 11.576 1.00 23.08 C ATOM 180 C ILE A 648 30.205 6.406 10.246 1.00 19.19 C ATOM 181 O ILE A 648 29.805 7.412 9.683 1.00 18.46 O ATOM 182 CB ILE A 648 32.493 6.420 11.320 1.00 29.21 C ATOM 183 CG1 ILE A 648 33.292 6.537 12.628 1.00 36.96 C ATOM 184 CG2 ILE A 648 32.942 7.501 10.338 1.00 35.85 C ATOM 185 CD1 ILE A 648 32.861 7.652 13.580 1.00 38.32 C ATOM 186 H ILE A 648 31.114 4.734 12.811 1.00 0.00 H ATOM 187 N GLN A 649 30.002 5.194 9.745 1.00 21.48 N ATOM 188 CA GLN A 649 29.364 5.057 8.447 1.00 19.15 C ATOM 189 C GLN A 649 27.905 5.529 8.572 1.00 19.89 C ATOM 190 O GLN A 649 27.352 6.121 7.639 1.00 20.44 O ATOM 191 CB GLN A 649 29.464 3.637 7.905 1.00 24.09 C ATOM 192 CG GLN A 649 30.911 3.107 7.797 1.00 28.17 C ATOM 193 CD GLN A 649 31.144 2.235 6.570 1.00 31.26 C ATOM 194 OE1 GLN A 649 31.993 2.551 5.725 1.00 33.24 O ATOM 195 NE2 GLN A 649 30.419 1.129 6.477 1.00 26.90 N ATOM 196 HE22 GLN A 649 29.717 0.904 7.211 1.00 0.00 H ATOM 197 HE21 GLN A 649 30.552 0.486 5.670 1.00 0.00 H ATOM 198 H GLN A 649 30.297 4.350 10.277 1.00 0.00 H ATOM 199 N PHE A 650 27.299 5.313 9.737 1.00 20.20 N ATOM 200 CA PHE A 650 25.944 5.806 9.986 1.00 20.81 C ATOM 201 C PHE A 650 25.899 7.308 9.919 1.00 16.16 C ATOM 202 O PHE A 650 24.999 7.894 9.311 1.00 16.60 O ATOM 203 CB PHE A 650 25.418 5.353 11.353 1.00 16.99 C ATOM 204 CG PHE A 650 24.060 5.946 11.705 1.00 14.08 C ATOM 205 CD1 PHE A 650 22.906 5.449 11.120 1.00 14.34 C ATOM 206 CD2 PHE A 650 23.954 6.991 12.617 1.00 16.38 C ATOM 207 CE1 PHE A 650 21.658 6.015 11.449 1.00 11.61 C ATOM 208 CE2 PHE A 650 22.722 7.558 12.947 1.00 16.02 C ATOM 209 CZ PHE A 650 21.573 7.060 12.367 1.00 11.72 C ATOM 210 H PHE A 650 27.796 4.785 10.482 1.00 0.00 H ATOM 211 N GLU A 651 26.865 7.983 10.544 1.00 17.02 N ATOM 212 CA GLU A 651 26.830 9.432 10.534 1.00 19.31 C ATOM 213 C GLU A 651 27.131 10.018 9.153 1.00 16.76 C ATOM 214 O GLU A 651 26.675 11.109 8.844 1.00 19.07 O ATOM 215 CB GLU A 651 27.788 9.982 11.576 1.00 21.21 C ATOM 216 CG GLU A 651 27.216 9.948 13.005 1.00 29.70 C ATOM 217 CD GLU A 651 26.032 10.881 13.203 1.00 24.53 C ATOM 218 OE1 GLU A 651 25.689 11.633 12.266 1.00 24.06 O ATOM 219 OE2 GLU A 651 25.445 10.864 14.306 1.00 25.00 O ATOM 220 H GLU A 651 27.632 7.477 11.031 1.00 0.00 H ATOM 221 N GLN A 652 27.836 9.266 8.305 1.00 15.65 N ATOM 222 CA GLN A 652 28.072 9.688 6.926 1.00 11.78 C ATOM 223 C GLN A 652 26.850 9.589 6.006 1.00 18.26 C ATOM 224 O GLN A 652 26.741 10.294 5.010 1.00 18.60 O ATOM 225 CB GLN A 652 29.212 8.858 6.335 1.00 17.86 C ATOM 226 CG GLN A 652 30.565 9.269 6.857 1.00 23.69 C ATOM 227 CD GLN A 652 31.630 8.254 6.551 1.00 17.68 C ATOM 228 OE1 GLN A 652 31.339 7.098 6.243 1.00 23.84 O ATOM 229 NE2 GLN A 652 32.886 8.663 6.663 1.00 22.52 N ATOM 230 HE22 GLN A 652 33.091 9.648 6.925 1.00 0.00 H ATOM 231 HE21 GLN A 652 33.667 7.999 6.488 1.00 0.00 H ATOM 232 H GLN A 652 28.226 8.359 8.633 1.00 0.00 H ATOM 233 N LEU A 653 25.933 8.698 6.342 1.00 13.32 N ATOM 234 CA LEU A 653 24.780 8.422 5.496 1.00 19.54 C ATOM 235 C LEU A 653 23.901 9.639 5.395 1.00 14.55 C ATOM 236 O LEU A 653 23.702 10.358 6.362 1.00 13.83 O ATOM 237 CB LEU A 653 24.010 7.218 6.065 1.00 15.89 C ATOM 238 CG LEU A 653 22.887 6.591 5.236 1.00 21.78 C ATOM 239 CD1 LEU A 653 23.385 5.988 3.928 1.00 22.57 C ATOM 240 CD2 LEU A 653 22.126 5.544 6.037 1.00 18.75 C ATOM 241 H LEU A 653 26.038 8.179 7.237 1.00 0.00 H ATOM 242 N TYR A 654 23.414 9.923 4.191 1.00 16.79 N ATOM 243 CA TYR A 654 22.440 10.984 4.013 1.00 12.42 C ATOM 244 C TYR A 654 21.200 10.717 4.845 1.00 12.78 C ATOM 245 O TYR A 654 20.834 9.556 5.044 1.00 13.52 O ATOM 246 CB TYR A 654 22.027 11.142 2.535 1.00 15.06 C ATOM 247 CG TYR A 654 21.596 9.895 1.779 1.00 19.53 C ATOM 248 CD1 TYR A 654 20.304 9.367 1.896 1.00 17.12 C ATOM 249 CD2 TYR A 654 22.457 9.282 0.878 1.00 22.28 C ATOM 250 CE1 TYR A 654 19.920 8.231 1.165 1.00 22.76 C ATOM 251 CE2 TYR A 654 22.086 8.171 0.155 1.00 27.16 C ATOM 252 CZ TYR A 654 20.829 7.639 0.292 1.00 24.59 C ATOM 253 OH TYR A 654 20.505 6.526 -0.455 1.00 21.12 O ATOM 254 HH TYR A 654 19.574 6.255 -0.255 1.00 0.00 H ATOM 255 H TYR A 654 23.735 9.378 3.366 1.00 0.00 H ATOM 256 N ARG A 655 20.571 11.802 5.319 1.00 15.82 N ATOM 257 CA ARG A 655 19.301 11.683 6.038 1.00 14.23 C ATOM 258 C ARG A 655 18.159 11.747 5.059 1.00 10.60 C ATOM 259 O ARG A 655 17.193 10.992 5.164 1.00 11.98 O ATOM 260 CB ARG A 655 19.169 12.745 7.106 1.00 16.27 C ATOM 261 CG ARG A 655 20.177 12.574 8.231 1.00 19.44 C ATOM 262 CD ARG A 655 19.946 13.600 9.345 1.00 19.14 C ATOM 263 NE ARG A 655 20.049 14.988 8.884 1.00 40.24 N ATOM 264 CZ ARG A 655 19.370 16.013 9.404 1.00 49.32 C ATOM 265 NH1 ARG A 655 18.520 15.831 10.414 1.00 36.34 N ATOM 266 NH2 ARG A 655 19.540 17.237 8.912 1.00 55.52 N ATOM 267 HE ARG A 655 20.697 15.188 8.096 1.00 0.00 H ATOM 268 HH12 ARG A 655 17.999 16.641 10.807 1.00 0.00 H ATOM 269 HH11 ARG A 655 18.378 14.879 10.809 1.00 0.00 H ATOM 270 HH22 ARG A 655 19.012 18.037 9.315 1.00 0.00 H ATOM 271 HH21 ARG A 655 20.201 17.394 8.124 1.00 0.00 H ATOM 272 H ARG A 655 20.991 12.742 5.174 1.00 0.00 H ATOM 273 N LYS A 656 18.338 12.571 4.038 1.00 14.14 N ATOM 274 CA LYS A 656 17.382 12.758 2.972 1.00 15.89 C ATOM 275 C LYS A 656 18.066 12.386 1.645 1.00 17.02 C ATOM 276 O LYS A 656 19.184 12.848 1.354 1.00 20.46 O ATOM 277 CB LYS A 656 16.896 14.209 2.997 1.00 22.61 C ATOM 278 CG LYS A 656 15.907 14.623 1.934 1.00 27.83 C ATOM 279 CD LYS A 656 16.068 16.097 1.590 1.00 30.21 C ATOM 280 CE LYS A 656 17.425 16.374 0.958 1.00 36.97 C ATOM 281 NZ LYS A 656 17.441 17.619 0.190 1.00 31.44 N ATOM 282 HZ1 LYS A 656 16.737 17.563 -0.573 1.00 0.00 H ATOM 283 HZ2 LYS A 656 17.211 18.415 0.818 1.00 0.00 H ATOM 284 HZ3 LYS A 656 18.387 17.761 -0.219 1.00 0.00 H ATOM 285 H LYS A 656 19.222 13.117 4.002 1.00 0.00 H ATOM 286 N LYS A 657 17.427 11.549 0.842 1.00 17.69 N ATOM 287 CA LYS A 657 18.071 11.109 -0.392 1.00 17.31 C ATOM 288 C LYS A 657 18.195 12.311 -1.338 1.00 16.62 C ATOM 289 O LYS A 657 17.205 12.975 -1.671 1.00 12.99 O ATOM 290 CB LYS A 657 17.292 9.974 -1.046 1.00 21.01 C ATOM 291 CG LYS A 657 17.962 9.388 -2.296 1.00 18.27 C ATOM 292 CD LYS A 657 17.226 8.119 -2.780 1.00 18.24 C ATOM 293 CE LYS A 657 17.853 7.470 -4.016 1.00 24.37 C ATOM 294 NZ LYS A 657 19.304 7.169 -3.799 1.00 28.49 N ATOM 295 HZ1 LYS A 657 19.813 8.053 -3.595 1.00 0.00 H ATOM 296 HZ2 LYS A 657 19.405 6.516 -2.996 1.00 0.00 H ATOM 297 HZ3 LYS A 657 19.698 6.730 -4.656 1.00 0.00 H ATOM 298 H LYS A 657 16.476 11.208 1.088 1.00 0.00 H ATOM 299 N PRO A 658 19.428 12.621 -1.780 1.00 17.60 N ATOM 300 CA PRO A 658 19.477 13.754 -2.705 1.00 16.30 C ATOM 301 C PRO A 658 18.797 13.420 -4.033 1.00 17.66 C ATOM 302 O PRO A 658 18.875 12.292 -4.540 1.00 17.96 O ATOM 303 CB PRO A 658 20.988 14.004 -2.865 1.00 17.13 C ATOM 304 CG PRO A 658 21.643 12.708 -2.530 1.00 21.31 C ATOM 305 CD PRO A 658 20.744 11.981 -1.575 1.00 17.64 C ATOM 306 N GLY A 659 18.101 14.400 -4.581 1.00 21.71 N ATOM 307 CA GLY A 659 17.463 14.237 -5.873 1.00 23.87 C ATOM 308 C GLY A 659 15.990 13.872 -5.826 1.00 31.98 C ATOM 309 O GLY A 659 15.343 13.876 -6.875 1.00 34.11 O ATOM 310 H GLY A 659 18.009 15.305 -4.077 1.00 0.00 H ATOM 311 N LEU A 660 15.466 13.511 -4.651 1.00 16.91 N ATOM 312 CA LEU A 660 14.046 13.213 -4.541 1.00 14.40 C ATOM 313 C LEU A 660 13.245 14.463 -4.222 1.00 14.31 C ATOM 314 O LEU A 660 13.506 15.171 -3.264 1.00 17.40 O ATOM 315 CB LEU A 660 13.755 12.157 -3.479 1.00 14.07 C ATOM 316 CG LEU A 660 14.355 10.784 -3.689 1.00 16.66 C ATOM 317 CD1 LEU A 660 13.817 9.819 -2.643 1.00 14.89 C ATOM 318 CD2 LEU A 660 14.038 10.277 -5.078 1.00 25.00 C ATOM 319 H LEU A 660 16.076 13.443 -3.811 1.00 0.00 H ATOM 320 N ALA A 661 12.280 14.727 -5.084 1.00 13.20 N ATOM 321 CA ALA A 661 11.423 15.893 -4.983 1.00 11.84 C ATOM 322 C ALA A 661 10.571 15.862 -3.736 1.00 14.30 C ATOM 323 O ALA A 661 10.004 14.816 -3.403 1.00 14.35 O ATOM 324 CB ALA A 661 10.512 15.964 -6.219 1.00 14.78 C ATOM 325 H ALA A 661 12.127 14.067 -5.873 1.00 0.00 H ATOM 326 N ILE A 662 10.447 17.026 -3.095 1.00 17.50 N ATOM 327 CA ILE A 662 9.522 17.242 -1.981 1.00 14.75 C ATOM 328 C ILE A 662 8.792 18.531 -2.277 1.00 13.43 C ATOM 329 O ILE A 662 9.362 19.607 -2.054 1.00 15.71 O ATOM 330 CB ILE A 662 10.270 17.332 -0.625 1.00 14.53 C ATOM 331 CG1 ILE A 662 10.961 15.997 -0.330 1.00 14.55 C ATOM 332 CG2 ILE A 662 9.318 17.653 0.506 1.00 14.42 C ATOM 333 CD1 ILE A 662 11.829 16.008 0.897 1.00 14.80 C ATOM 334 H ILE A 662 11.040 17.823 -3.404 1.00 0.00 H ATOM 335 N THR A 663 7.581 18.415 -2.824 1.00 15.62 N ATOM 336 CA THR A 663 6.846 19.583 -3.291 1.00 18.83 C ATOM 337 C THR A 663 5.508 19.728 -2.583 1.00 16.58 C ATOM 338 O THR A 663 5.255 20.770 -1.943 1.00 16.34 O ATOM 339 CB THR A 663 6.628 19.541 -4.817 1.00 15.14 C ATOM 340 OG1 THR A 663 5.780 18.452 -5.193 1.00 18.80 O ATOM 341 CG2 THR A 663 7.967 19.449 -5.546 1.00 18.28 C ATOM 342 HG1 THR A 663 6.196 17.599 -4.911 1.00 0.00 H ATOM 343 H THR A 663 7.153 17.472 -2.919 1.00 0.00 H ATOM 344 N PHE A 664 4.645 18.721 -2.701 1.00 12.66 N ATOM 345 CA PHE A 664 3.318 18.790 -2.105 1.00 14.70 C ATOM 346 C PHE A 664 3.374 19.144 -0.630 1.00 18.31 C ATOM 347 O PHE A 664 2.534 19.875 -0.134 1.00 14.01 O ATOM 348 CB PHE A 664 2.570 17.487 -2.284 1.00 15.11 C ATOM 349 CG PHE A 664 2.345 17.129 -3.705 1.00 15.24 C ATOM 350 CD1 PHE A 664 1.262 17.645 -4.385 1.00 20.16 C ATOM 351 CD2 PHE A 664 3.230 16.297 -4.375 1.00 18.89 C ATOM 352 CE1 PHE A 664 1.045 17.322 -5.710 1.00 29.05 C ATOM 353 CE2 PHE A 664 3.026 15.977 -5.699 1.00 25.66 C ATOM 354 CZ PHE A 664 1.926 16.489 -6.365 1.00 19.97 C ATOM 355 H PHE A 664 4.924 17.869 -3.229 1.00 0.00 H ATOM 356 N ALA A 665 4.373 18.632 0.070 1.00 12.69 N ATOM 357 CA ALA A 665 4.412 18.777 1.520 1.00 11.79 C ATOM 358 C ALA A 665 4.603 20.215 1.941 1.00 15.85 C ATOM 359 O ALA A 665 4.209 20.585 3.060 1.00 15.14 O ATOM 360 CB ALA A 665 5.525 17.907 2.094 1.00 15.65 C ATOM 361 H ALA A 665 5.137 18.122 -0.418 1.00 0.00 H ATOM 362 N LYS A 666 5.161 21.021 1.032 1.00 12.91 N ATOM 363 CA LYS A 666 5.485 22.416 1.299 1.00 18.72 C ATOM 364 C LYS A 666 4.459 23.417 0.733 1.00 12.19 C ATOM 365 O LYS A 666 4.637 24.643 0.886 1.00 18.89 O ATOM 366 CB LYS A 666 6.865 22.730 0.725 1.00 13.64 C ATOM 367 CG LYS A 666 8.016 21.951 1.356 1.00 19.67 C ATOM 368 CD LYS A 666 9.314 22.169 0.625 1.00 25.66 C ATOM 369 CE LYS A 666 10.385 21.232 1.128 1.00 28.89 C ATOM 370 NZ LYS A 666 11.681 21.441 0.431 1.00 34.12 N ATOM 371 HZ1 LYS A 666 11.556 21.275 -0.588 1.00 0.00 H ATOM 372 HZ2 LYS A 666 12.004 22.417 0.587 1.00 0.00 H ATOM 373 HZ3 LYS A 666 12.387 20.777 0.808 1.00 0.00 H ATOM 374 H LYS A 666 5.374 20.634 0.090 1.00 0.00 H ATOM 375 N LEU A 667 3.398 22.923 0.103 1.00 13.97 N ATOM 376 CA LEU A 667 2.364 23.838 -0.432 1.00 12.69 C ATOM 377 C LEU A 667 1.681 24.606 0.699 1.00 18.63 C ATOM 378 O LEU A 667 1.565 24.098 1.809 1.00 15.16 O ATOM 379 CB LEU A 667 1.328 23.074 -1.233 1.00 20.59 C ATOM 380 CG LEU A 667 1.844 22.381 -2.497 1.00 16.85 C ATOM 381 CD1 LEU A 667 0.745 21.594 -3.141 1.00 17.68 C ATOM 382 CD2 LEU A 667 2.445 23.409 -3.455 1.00 18.64 C ATOM 383 H LEU A 667 3.294 21.895 -0.014 1.00 0.00 H ATOM 384 N PRO A 668 1.163 25.816 0.407 1.00 20.42 N ATOM 385 CA PRO A 668 0.596 26.597 1.510 1.00 17.09 C ATOM 386 C PRO A 668 -0.498 25.897 2.273 1.00 13.11 C ATOM 387 O PRO A 668 -0.520 25.989 3.500 1.00 16.47 O ATOM 388 CB PRO A 668 0.034 27.846 0.794 1.00 19.85 C ATOM 389 CG PRO A 668 0.782 27.920 -0.476 1.00 21.19 C ATOM 390 CD PRO A 668 1.056 26.522 -0.884 1.00 20.54 C ATOM 391 N GLN A 669 -1.399 25.200 1.582 1.00 14.00 N ATOM 392 CA GLN A 669 -2.501 24.531 2.248 1.00 16.54 C ATOM 393 C GLN A 669 -2.034 23.305 3.007 1.00 10.43 C ATOM 394 O GLN A 669 -2.810 22.755 3.770 1.00 17.20 O ATOM 395 CB GLN A 669 -3.610 24.122 1.262 1.00 18.37 C ATOM 396 CG GLN A 669 -3.200 23.071 0.218 1.00 18.09 C ATOM 397 CD GLN A 669 -2.630 23.688 -1.012 1.00 13.53 C ATOM 398 OE1 GLN A 669 -1.993 24.718 -0.933 1.00 20.86 O ATOM 399 NE2 GLN A 669 -2.834 23.062 -2.163 1.00 16.26 N ATOM 400 HE22 GLN A 669 -3.386 22.181 -2.185 1.00 0.00 H ATOM 401 HE21 GLN A 669 -2.442 23.452 -3.044 1.00 0.00 H ATOM 402 H GLN A 669 -1.311 25.134 0.548 1.00 0.00 H ATOM 403 N ASN A 670 -0.789 22.859 2.793 1.00 12.94 N ATOM 404 CA ASN A 670 -0.305 21.652 3.468 1.00 15.46 C ATOM 405 C ASN A 670 0.716 21.858 4.587 1.00 12.77 C ATOM 406 O ASN A 670 0.948 20.930 5.357 1.00 10.77 O ATOM 407 CB ASN A 670 0.294 20.693 2.433 1.00 10.25 C ATOM 408 CG ASN A 670 -0.731 20.237 1.430 1.00 12.27 C ATOM 409 OD1 ASN A 670 -1.900 20.189 1.729 1.00 12.11 O ATOM 410 ND2 ASN A 670 -0.290 19.918 0.226 1.00 14.18 N ATOM 411 HD22 ASN A 670 0.726 19.974 0.013 1.00 0.00 H ATOM 412 HD21 ASN A 670 -0.959 19.611 -0.508 1.00 0.00 H ATOM 413 H ASN A 670 -0.161 23.373 2.143 1.00 0.00 H ATOM 414 N LEU A 671 1.322 23.042 4.692 1.00 11.26 N ATOM 415 CA LEU A 671 2.351 23.286 5.688 1.00 10.80 C ATOM 416 C LEU A 671 1.924 22.912 7.119 1.00 10.33 C ATOM 417 O LEU A 671 2.689 22.272 7.866 1.00 11.59 O ATOM 418 CB LEU A 671 2.776 24.767 5.640 1.00 11.88 C ATOM 419 CG LEU A 671 3.637 25.097 4.432 1.00 12.68 C ATOM 420 CD1 LEU A 671 3.818 26.619 4.359 1.00 20.63 C ATOM 421 CD2 LEU A 671 4.977 24.420 4.496 1.00 15.92 C ATOM 422 H LEU A 671 1.051 23.809 4.045 1.00 0.00 H ATOM 423 N ASP A 672 0.716 23.251 7.529 1.00 8.79 N ATOM 424 CA ASP A 672 0.379 22.947 8.913 1.00 9.39 C ATOM 425 C ASP A 672 -0.186 21.548 9.056 1.00 11.66 C ATOM 426 O ASP A 672 -0.603 21.176 10.147 1.00 12.31 O ATOM 427 CB ASP A 672 -0.576 23.990 9.513 1.00 11.97 C ATOM 428 CG ASP A 672 -1.999 23.910 8.985 1.00 14.21 C ATOM 429 OD1 ASP A 672 -2.412 22.955 8.305 1.00 13.88 O ATOM 430 OD2 ASP A 672 -2.751 24.874 9.278 1.00 16.10 O ATOM 431 H ASP A 672 0.036 23.714 6.893 1.00 0.00 H ATOM 432 N LYS A 673 -0.104 20.743 8.003 1.00 11.69 N ATOM 433 CA LYS A 673 -0.473 19.335 8.073 1.00 10.40 C ATOM 434 C LYS A 673 0.742 18.481 8.409 1.00 11.84 C ATOM 435 O LYS A 673 0.632 17.258 8.551 1.00 10.31 O ATOM 436 CB LYS A 673 -1.093 18.871 6.753 1.00 13.31 C ATOM 437 CG LYS A 673 -2.250 19.728 6.321 1.00 16.10 C ATOM 438 CD LYS A 673 -2.797 19.322 4.999 1.00 19.33 C ATOM 439 CE LYS A 673 -4.003 20.178 4.667 1.00 23.46 C ATOM 440 NZ LYS A 673 -4.181 20.340 3.213 1.00 12.04 N ATOM 441 HZ1 LYS A 673 -3.337 20.796 2.810 1.00 0.00 H ATOM 442 HZ2 LYS A 673 -4.314 19.406 2.775 1.00 0.00 H ATOM 443 HZ3 LYS A 673 -5.017 20.932 3.031 1.00 0.00 H ATOM 444 H LYS A 673 0.235 21.130 7.099 1.00 0.00 H ATOM 445 N ASN A 674 1.893 19.132 8.549 1.00 8.22 N ATOM 446 CA ASN A 674 3.144 18.493 8.967 1.00 11.35 C ATOM 447 C ASN A 674 3.386 18.838 10.403 1.00 7.61 C ATOM 448 O ASN A 674 3.373 20.011 10.775 1.00 10.92 O ATOM 449 CB ASN A 674 4.335 18.934 8.104 1.00 11.77 C ATOM 450 CG ASN A 674 4.085 18.716 6.628 1.00 12.05 C ATOM 451 OD1 ASN A 674 3.696 17.635 6.216 1.00 9.02 O ATOM 452 ND2 ASN A 674 4.221 19.784 5.832 1.00 11.49 N ATOM 453 HD22 ASN A 674 4.556 20.687 6.225 1.00 0.00 H ATOM 454 HD21 ASN A 674 3.992 19.711 4.820 1.00 0.00 H ATOM 455 H ASN A 674 1.906 20.153 8.351 1.00 0.00 H ATOM 456 N ARG A 675 3.538 17.826 11.239 1.00 9.77 N ATOM 457 CA ARG A 675 3.752 18.117 12.634 1.00 8.94 C ATOM 458 C ARG A 675 5.105 18.812 12.844 1.00 9.57 C ATOM 459 O ARG A 675 5.238 19.667 13.755 1.00 12.15 O ATOM 460 CB ARG A 675 3.652 16.830 13.448 1.00 7.64 C ATOM 461 CG ARG A 675 3.953 17.019 14.888 1.00 8.02 C ATOM 462 CD ARG A 675 3.700 15.786 15.717 1.00 9.70 C ATOM 463 NE ARG A 675 2.282 15.491 15.819 1.00 10.82 N ATOM 464 CZ ARG A 675 1.449 16.059 16.684 1.00 11.60 C ATOM 465 NH1 ARG A 675 1.892 16.945 17.559 1.00 11.31 N ATOM 466 NH2 ARG A 675 0.181 15.729 16.705 1.00 9.62 N ATOM 467 HE ARG A 675 1.889 14.783 15.167 1.00 0.00 H ATOM 468 HH12 ARG A 675 1.233 17.385 18.233 1.00 0.00 H ATOM 469 HH11 ARG A 675 2.900 17.202 17.574 1.00 0.00 H ATOM 470 HH22 ARG A 675 -0.462 16.180 17.386 1.00 0.00 H ATOM 471 HH21 ARG A 675 -0.182 15.016 16.040 1.00 0.00 H ATOM 472 H ARG A 675 3.504 16.844 10.899 1.00 0.00 H ATOM 473 N TYR A 676 6.095 18.435 12.018 1.00 7.45 N ATOM 474 CA TYR A 676 7.437 19.022 12.107 1.00 7.73 C ATOM 475 C TYR A 676 7.875 19.516 10.756 1.00 11.48 C ATOM 476 O TYR A 676 7.700 18.823 9.763 1.00 10.92 O ATOM 477 CB TYR A 676 8.436 18.009 12.657 1.00 8.70 C ATOM 478 CG TYR A 676 8.081 17.529 14.024 1.00 8.26 C ATOM 479 CD1 TYR A 676 8.270 18.351 15.135 1.00 9.53 C ATOM 480 CD2 TYR A 676 7.546 16.268 14.217 1.00 9.29 C ATOM 481 CE1 TYR A 676 7.934 17.917 16.393 1.00 9.48 C ATOM 482 CE2 TYR A 676 7.210 15.822 15.472 1.00 9.95 C ATOM 483 CZ TYR A 676 7.387 16.662 16.553 1.00 10.40 C ATOM 484 OH TYR A 676 7.049 16.202 17.812 1.00 12.10 O ATOM 485 HH TYR A 676 6.087 15.968 17.829 1.00 0.00 H ATOM 486 H TYR A 676 5.906 17.709 11.298 1.00 0.00 H ATOM 487 N LYS A 677 8.437 20.720 10.731 1.00 12.79 N ATOM 488 CA LYS A 677 8.699 21.422 9.492 1.00 11.94 C ATOM 489 C LYS A 677 9.690 20.696 8.582 1.00 13.15 C ATOM 490 O LYS A 677 9.653 20.867 7.360 1.00 13.81 O ATOM 491 CB LYS A 677 9.246 22.835 9.800 1.00 12.22 C ATOM 492 CG LYS A 677 9.390 23.696 8.603 1.00 28.49 C ATOM 493 CD LYS A 677 9.963 25.069 8.963 1.00 27.76 C ATOM 494 CE LYS A 677 10.201 25.819 7.688 1.00 26.02 C ATOM 495 NZ LYS A 677 10.532 27.188 7.965 1.00 25.63 N ATOM 496 HZ1 LYS A 677 9.747 27.636 8.480 1.00 0.00 H ATOM 497 HZ2 LYS A 677 11.394 27.224 8.545 1.00 0.00 H ATOM 498 HZ3 LYS A 677 10.694 27.692 7.070 1.00 0.00 H ATOM 499 H LYS A 677 8.697 21.173 11.630 1.00 0.00 H ATOM 500 N ASP A 678 10.547 19.883 9.187 1.00 12.09 N ATOM 501 CA ASP A 678 11.624 19.246 8.467 1.00 10.77 C ATOM 502 C ASP A 678 11.412 17.760 8.302 1.00 11.99 C ATOM 503 O ASP A 678 12.340 17.066 7.907 1.00 14.18 O ATOM 504 CB ASP A 678 12.950 19.491 9.177 1.00 9.34 C ATOM 505 CG ASP A 678 13.025 18.886 10.579 1.00 13.90 C ATOM 506 OD1 ASP A 678 11.974 18.704 11.243 1.00 12.30 O ATOM 507 OD2 ASP A 678 14.156 18.569 11.023 1.00 18.76 O ATOM 508 H ASP A 678 10.440 19.700 10.205 1.00 0.00 H ATOM 509 N VAL A 679 10.234 17.252 8.646 1.00 9.68 N ATOM 510 CA VAL A 679 9.983 15.835 8.456 1.00 7.38 C ATOM 511 C VAL A 679 8.851 15.741 7.466 1.00 6.80 C ATOM 512 O VAL A 679 7.685 15.847 7.849 1.00 11.19 O ATOM 513 CB VAL A 679 9.619 15.132 9.780 1.00 12.92 C ATOM 514 CG1 VAL A 679 9.283 13.676 9.538 1.00 9.79 C ATOM 515 CG2 VAL A 679 10.732 15.283 10.794 1.00 10.76 C ATOM 516 H VAL A 679 9.497 17.865 9.049 1.00 0.00 H ATOM 517 N LEU A 680 9.223 15.572 6.199 1.00 9.06 N ATOM 518 CA LEU A 680 8.297 15.636 5.081 1.00 8.73 C ATOM 519 C LEU A 680 8.435 14.399 4.204 1.00 11.56 C ATOM 520 O LEU A 680 9.534 13.839 4.098 1.00 15.92 O ATOM 521 CB LEU A 680 8.559 16.852 4.238 1.00 12.39 C ATOM 522 CG LEU A 680 8.658 18.175 5.000 1.00 12.69 C ATOM 523 CD1 LEU A 680 9.094 19.209 4.023 1.00 14.40 C ATOM 524 CD2 LEU A 680 7.332 18.541 5.640 1.00 11.37 C ATOM 525 H LEU A 680 10.226 15.385 5.999 1.00 0.00 H ATOM 526 N PRO A 681 7.338 13.989 3.580 1.00 10.21 N ATOM 527 CA PRO A 681 7.394 12.856 2.643 1.00 8.32 C ATOM 528 C PRO A 681 7.934 13.263 1.284 1.00 11.83 C ATOM 529 O PRO A 681 7.638 14.359 0.799 1.00 11.12 O ATOM 530 CB PRO A 681 5.944 12.452 2.490 1.00 9.63 C ATOM 531 CG PRO A 681 5.176 13.743 2.690 1.00 8.23 C ATOM 532 CD PRO A 681 5.962 14.480 3.743 1.00 8.69 C ATOM 533 N TYR A 682 8.689 12.371 0.662 1.00 11.28 N ATOM 534 CA TYR A 682 9.022 12.495 -0.744 1.00 9.83 C ATOM 535 C TYR A 682 7.754 12.365 -1.596 1.00 9.64 C ATOM 536 O TYR A 682 6.832 11.582 -1.279 1.00 12.59 O ATOM 537 CB TYR A 682 9.987 11.401 -1.189 1.00 9.61 C ATOM 538 CG TYR A 682 11.241 11.219 -0.384 1.00 11.83 C ATOM 539 CD1 TYR A 682 12.166 12.240 -0.246 1.00 8.88 C ATOM 540 CD2 TYR A 682 11.560 9.965 0.146 1.00 11.52 C ATOM 541 CE1 TYR A 682 13.331 12.047 0.468 1.00 10.41 C ATOM 542 CE2 TYR A 682 12.721 9.762 0.833 1.00 8.57 C ATOM 543 CZ TYR A 682 13.620 10.797 0.991 1.00 10.51 C ATOM 544 OH TYR A 682 14.804 10.602 1.682 1.00 10.63 O ATOM 545 HH TYR A 682 15.334 9.897 1.233 1.00 0.00 H ATOM 546 H TYR A 682 9.054 11.558 1.197 1.00 0.00 H ATOM 547 N ASP A 683 7.721 13.085 -2.716 1.00 12.19 N ATOM 548 CA ASP A 683 6.604 12.956 -3.638 1.00 11.87 C ATOM 549 C ASP A 683 6.421 11.505 -4.112 1.00 9.49 C ATOM 550 O ASP A 683 5.302 11.014 -4.194 1.00 16.84 O ATOM 551 CB ASP A 683 6.824 13.861 -4.849 1.00 14.58 C ATOM 552 CG ASP A 683 6.776 15.327 -4.516 1.00 18.73 C ATOM 553 OD1 ASP A 683 6.460 15.715 -3.355 1.00 13.47 O ATOM 554 OD2 ASP A 683 7.046 16.119 -5.444 1.00 15.92 O ATOM 555 H ASP A 683 8.497 13.742 -2.932 1.00 0.00 H ATOM 556 N THR A 684 7.524 10.850 -4.457 1.00 14.17 N ATOM 557 CA THR A 684 7.460 9.525 -5.098 1.00 16.45 C ATOM 558 C THR A 684 6.808 8.430 -4.246 1.00 18.23 C ATOM 559 O THR A 684 6.101 7.583 -4.788 1.00 20.26 O ATOM 560 CB THR A 684 8.870 9.041 -5.522 1.00 16.90 C ATOM 561 OG1 THR A 684 9.816 9.147 -4.444 1.00 17.88 O ATOM 562 CG2 THR A 684 9.399 9.851 -6.700 1.00 23.66 C ATOM 563 HG1 THR A 684 9.884 10.092 -4.158 1.00 0.00 H ATOM 564 H THR A 684 8.452 11.281 -4.271 1.00 0.00 H ATOM 565 N THR A 685 6.993 8.493 -2.924 1.00 13.72 N ATOM 566 CA THR A 685 6.461 7.499 -2.004 1.00 11.79 C ATOM 567 C THR A 685 5.360 8.043 -1.068 1.00 13.30 C ATOM 568 O THR A 685 4.888 7.366 -0.150 1.00 12.42 O ATOM 569 CB THR A 685 7.594 6.917 -1.148 1.00 13.30 C ATOM 570 OG1 THR A 685 8.232 7.979 -0.449 1.00 12.29 O ATOM 571 CG2 THR A 685 8.620 6.230 -2.025 1.00 17.29 C ATOM 572 HG1 THR A 685 8.965 7.613 0.107 1.00 0.00 H ATOM 573 H THR A 685 7.541 9.287 -2.536 1.00 0.00 H ATOM 574 N ARG A 686 4.904 9.255 -1.340 1.00 12.05 N ATOM 575 CA ARG A 686 3.830 9.839 -0.562 1.00 10.22 C ATOM 576 C ARG A 686 2.552 9.007 -0.692 1.00 15.14 C ATOM 577 O ARG A 686 2.194 8.527 -1.791 1.00 14.94 O ATOM 578 CB ARG A 686 3.622 11.288 -1.027 1.00 13.79 C ATOM 579 CG ARG A 686 2.492 12.020 -0.429 1.00 22.19 C ATOM 580 CD ARG A 686 2.531 13.466 -0.946 1.00 18.13 C ATOM 581 NE ARG A 686 2.027 13.653 -2.312 1.00 17.67 N ATOM 582 CZ ARG A 686 0.786 14.041 -2.613 1.00 21.11 C ATOM 583 NH1 ARG A 686 -0.129 14.218 -1.664 1.00 15.57 N ATOM 584 NH2 ARG A 686 0.435 14.220 -3.886 1.00 20.66 N ATOM 585 HE ARG A 686 2.682 13.471 -3.099 1.00 0.00 H ATOM 586 HH12 ARG A 686 -1.091 14.521 -1.919 1.00 0.00 H ATOM 587 HH11 ARG A 686 0.117 14.054 -0.667 1.00 0.00 H ATOM 588 HH22 ARG A 686 -0.532 14.522 -4.121 1.00 0.00 H ATOM 589 HH21 ARG A 686 1.128 14.057 -4.644 1.00 0.00 H ATOM 590 H ARG A 686 5.322 9.796 -2.123 1.00 0.00 H ATOM 591 N VAL A 687 1.880 8.778 0.423 1.00 11.78 N ATOM 592 CA VAL A 687 0.598 8.110 0.392 1.00 11.58 C ATOM 593 C VAL A 687 -0.490 9.056 -0.119 1.00 12.82 C ATOM 594 O VAL A 687 -0.683 10.165 0.412 1.00 12.55 O ATOM 595 CB VAL A 687 0.198 7.590 1.763 1.00 11.60 C ATOM 596 CG1 VAL A 687 -1.214 6.950 1.709 1.00 18.81 C ATOM 597 CG2 VAL A 687 1.226 6.583 2.263 1.00 11.73 C ATOM 598 H VAL A 687 2.278 9.082 1.334 1.00 0.00 H ATOM 599 N LEU A 688 -1.200 8.620 -1.149 1.00 13.30 N ATOM 600 CA LEU A 688 -2.335 9.343 -1.687 1.00 14.26 C ATOM 601 C LEU A 688 -3.664 8.727 -1.220 1.00 15.31 C ATOM 602 O LEU A 688 -3.800 7.501 -1.091 1.00 20.05 O ATOM 603 CB LEU A 688 -2.274 9.349 -3.218 1.00 19.70 C ATOM 604 CG LEU A 688 -0.920 9.532 -3.886 1.00 23.10 C ATOM 605 CD1 LEU A 688 -1.052 9.405 -5.396 1.00 28.81 C ATOM 606 CD2 LEU A 688 -0.324 10.887 -3.527 1.00 27.35 C ATOM 607 H LEU A 688 -0.931 7.718 -1.591 1.00 0.00 H ATOM 608 N LEU A 689 -4.648 9.567 -0.943 1.00 16.53 N ATOM 609 CA LEU A 689 -5.943 9.055 -0.566 1.00 18.83 C ATOM 610 C LEU A 689 -6.654 8.647 -1.857 1.00 18.23 C ATOM 611 O LEU A 689 -6.534 9.326 -2.872 1.00 20.27 O ATOM 612 CB LEU A 689 -6.729 10.111 0.218 1.00 21.16 C ATOM 613 CG LEU A 689 -6.038 10.683 1.458 1.00 24.57 C ATOM 614 CD1 LEU A 689 -7.061 11.361 2.373 1.00 24.66 C ATOM 615 CD2 LEU A 689 -5.275 9.648 2.220 1.00 28.31 C ATOM 616 H LEU A 689 -4.488 10.593 -0.997 1.00 0.00 H ATOM 617 N GLN A 690 -7.375 7.535 -1.842 1.00 18.77 N ATOM 618 CA GLN A 690 -8.042 7.086 -3.060 1.00 25.70 C ATOM 619 C GLN A 690 -9.109 8.089 -3.519 1.00 21.71 C ATOM 620 O GLN A 690 -10.047 8.420 -2.787 1.00 20.85 O ATOM 621 CB GLN A 690 -8.655 5.700 -2.838 1.00 26.07 C ATOM 622 CG GLN A 690 -7.595 4.645 -2.519 1.00 29.60 C ATOM 623 CD GLN A 690 -8.174 3.265 -2.256 1.00 34.61 C ATOM 624 OE1 GLN A 690 -9.394 3.056 -2.321 1.00 41.78 O ATOM 625 NE2 GLN A 690 -7.295 2.310 -1.956 1.00 32.13 N ATOM 626 HE22 GLN A 690 -6.280 2.532 -1.913 1.00 0.00 H ATOM 627 HE21 GLN A 690 -7.624 1.342 -1.765 1.00 0.00 H ATOM 628 H GLN A 690 -7.465 6.984 -0.965 1.00 0.00 H ATOM 629 N GLY A 691 -8.969 8.576 -4.744 1.00 22.94 N ATOM 630 CA GLY A 691 -9.932 9.529 -5.290 1.00 25.81 C ATOM 631 C GLY A 691 -10.194 10.766 -4.436 1.00 31.70 C ATOM 632 O GLY A 691 -11.275 11.349 -4.468 1.00 30.90 O ATOM 633 H GLY A 691 -8.161 8.275 -5.325 1.00 0.00 H ATOM 634 N ASN A 692 -9.187 11.173 -3.673 1.00 29.82 N ATOM 635 CA ASN A 692 -9.321 12.292 -2.756 1.00 24.27 C ATOM 636 C ASN A 692 -8.004 13.035 -2.747 1.00 24.87 C ATOM 637 O ASN A 692 -6.950 12.444 -2.542 1.00 23.19 O ATOM 638 CB ASN A 692 -9.710 11.805 -1.354 1.00 25.21 C ATOM 639 CG ASN A 692 -10.052 12.944 -0.400 1.00 28.04 C ATOM 640 OD1 ASN A 692 -9.390 13.979 -0.391 1.00 28.39 O ATOM 641 ND2 ASN A 692 -11.069 12.736 0.428 1.00 29.79 N ATOM 642 HD22 ASN A 692 -11.601 11.844 0.384 1.00 0.00 H ATOM 643 HD21 ASN A 692 -11.333 13.466 1.120 1.00 0.00 H ATOM 644 H ASN A 692 -8.275 10.676 -3.733 1.00 0.00 H ATOM 645 N GLU A 693 -8.073 14.338 -2.996 1.00 19.34 N ATOM 646 CA GLU A 693 -6.862 15.101 -3.219 1.00 14.88 C ATOM 647 C GLU A 693 -6.187 15.514 -1.906 1.00 19.52 C ATOM 648 O GLU A 693 -5.121 16.101 -1.944 1.00 17.52 O ATOM 649 CB GLU A 693 -7.179 16.349 -4.083 1.00 26.10 C ATOM 650 CG GLU A 693 -7.691 17.559 -3.292 1.00 36.31 C ATOM 651 CD GLU A 693 -8.024 18.803 -4.146 1.00 24.27 C ATOM 652 OE1 GLU A 693 -9.215 19.037 -4.407 1.00 36.65 O ATOM 653 OE2 GLU A 693 -7.084 19.539 -4.538 1.00 33.53 O ATOM 654 H GLU A 693 -8.998 14.811 -3.031 1.00 0.00 H ATOM 655 N ASP A 694 -6.817 15.264 -0.755 1.00 14.89 N ATOM 656 CA ASP A 694 -6.250 15.740 0.513 1.00 18.75 C ATOM 657 C ASP A 694 -4.837 15.214 0.750 1.00 19.62 C ATOM 658 O ASP A 694 -4.578 14.051 0.536 1.00 21.94 O ATOM 659 CB ASP A 694 -7.113 15.312 1.686 1.00 18.32 C ATOM 660 CG ASP A 694 -8.452 16.031 1.742 1.00 21.28 C ATOM 661 OD1 ASP A 694 -8.785 16.833 0.838 1.00 20.59 O ATOM 662 OD2 ASP A 694 -9.197 15.758 2.698 1.00 26.63 O ATOM 663 H ASP A 694 -7.710 14.731 -0.757 1.00 0.00 H ATOM 664 N TYR A 695 -3.937 16.079 1.191 1.00 14.18 N ATOM 665 CA TYR A 695 -2.578 15.698 1.540 1.00 13.74 C ATOM 666 C TYR A 695 -2.510 15.065 2.921 1.00 13.42 C ATOM 667 O TYR A 695 -3.213 15.511 3.850 1.00 12.60 O ATOM 668 CB TYR A 695 -1.697 16.933 1.485 1.00 17.58 C ATOM 669 CG TYR A 695 -0.348 16.756 2.146 1.00 12.58 C ATOM 670 CD1 TYR A 695 0.743 16.287 1.427 1.00 11.17 C ATOM 671 CD2 TYR A 695 -0.172 17.076 3.485 1.00 10.39 C ATOM 672 CE1 TYR A 695 2.005 16.114 2.027 1.00 11.46 C ATOM 673 CE2 TYR A 695 1.070 16.925 4.098 1.00 10.97 C ATOM 674 CZ TYR A 695 2.161 16.447 3.361 1.00 10.75 C ATOM 675 OH TYR A 695 3.394 16.334 3.973 1.00 10.45 O ATOM 676 HH TYR A 695 3.685 17.224 4.293 1.00 0.00 H ATOM 677 H TYR A 695 -4.215 17.076 1.292 1.00 0.00 H ATOM 678 N ILE A 696 -1.651 14.053 3.048 1.00 14.06 N ATOM 679 CA ILE A 696 -1.229 13.526 4.351 1.00 11.04 C ATOM 680 C ILE A 696 0.282 13.292 4.387 1.00 11.09 C ATOM 681 O ILE A 696 0.922 12.868 3.426 1.00 10.72 O ATOM 682 CB ILE A 696 -2.000 12.256 4.714 1.00 9.41 C ATOM 683 CG1 ILE A 696 -1.651 11.785 6.140 1.00 8.13 C ATOM 684 CG2 ILE A 696 -1.769 11.159 3.692 1.00 11.59 C ATOM 685 CD1 ILE A 696 -2.555 10.631 6.669 1.00 13.92 C ATOM 686 H ILE A 696 -1.263 13.618 2.186 1.00 0.00 H ATOM 687 N ASN A 697 0.865 13.600 5.533 1.00 8.56 N ATOM 688 CA ASN A 697 2.260 13.329 5.766 1.00 10.68 C ATOM 689 C ASN A 697 2.429 11.872 6.120 1.00 8.62 C ATOM 690 O ASN A 697 2.313 11.490 7.276 1.00 10.32 O ATOM 691 CB ASN A 697 2.789 14.231 6.861 1.00 9.38 C ATOM 692 CG ASN A 697 4.276 14.107 7.031 1.00 9.30 C ATOM 693 OD1 ASN A 697 4.824 13.023 6.958 1.00 10.30 O ATOM 694 ND2 ASN A 697 4.945 15.219 7.233 1.00 8.03 N ATOM 695 HD22 ASN A 697 4.440 16.127 7.289 1.00 0.00 H ATOM 696 HD21 ASN A 697 5.979 15.192 7.337 1.00 0.00 H ATOM 697 H ASN A 697 0.303 14.049 6.284 1.00 0.00 H ATOM 698 N ALA A 698 2.650 11.056 5.095 1.00 10.65 N ATOM 699 CA ALA A 698 2.751 9.596 5.235 1.00 7.92 C ATOM 700 C ALA A 698 3.492 9.089 4.022 1.00 9.70 C ATOM 701 O ALA A 698 3.346 9.627 2.949 1.00 9.78 O ATOM 702 CB ALA A 698 1.383 8.938 5.330 1.00 11.02 C ATOM 703 H ALA A 698 2.757 11.470 4.147 1.00 0.00 H ATOM 704 N SER A 699 4.214 7.986 4.193 1.00 8.32 N ATOM 705 CA SER A 699 5.092 7.458 3.158 1.00 9.15 C ATOM 706 C SER A 699 4.931 5.939 3.103 1.00 7.83 C ATOM 707 O SER A 699 4.902 5.262 4.130 1.00 10.93 O ATOM 708 CB SER A 699 6.550 7.788 3.436 1.00 10.57 C ATOM 709 OG SER A 699 6.763 9.170 3.665 1.00 9.78 O ATOM 710 HG SER A 699 6.482 9.683 2.866 1.00 0.00 H ATOM 711 H SER A 699 4.149 7.481 5.100 1.00 0.00 H ATOM 712 N TYR A 700 4.881 5.395 1.901 1.00 8.58 N ATOM 713 CA TYR A 700 5.057 3.954 1.749 1.00 9.11 C ATOM 714 C TYR A 700 6.497 3.568 2.022 1.00 9.93 C ATOM 715 O TYR A 700 7.410 4.165 1.464 1.00 10.76 O ATOM 716 CB TYR A 700 4.681 3.526 0.332 1.00 15.05 C ATOM 717 CG TYR A 700 3.225 3.736 0.000 1.00 11.75 C ATOM 718 CD1 TYR A 700 2.240 2.934 0.588 1.00 12.86 C ATOM 719 CD2 TYR A 700 2.832 4.705 -0.903 1.00 10.26 C ATOM 720 CE1 TYR A 700 0.896 3.121 0.287 1.00 15.29 C ATOM 721 CE2 TYR A 700 1.512 4.893 -1.202 1.00 13.07 C ATOM 722 CZ TYR A 700 0.552 4.089 -0.610 1.00 16.28 C ATOM 723 OH TYR A 700 -0.765 4.257 -0.900 1.00 17.98 O ATOM 724 HH TYR A 700 -0.908 4.119 -1.870 1.00 0.00 H ATOM 725 H TYR A 700 4.717 5.991 1.065 1.00 0.00 H ATOM 726 N VAL A 701 6.716 2.536 2.849 1.00 9.32 N ATOM 727 CA VAL A 701 8.041 2.027 3.099 1.00 9.64 C ATOM 728 C VAL A 701 7.964 0.512 3.031 1.00 11.27 C ATOM 729 O VAL A 701 7.317 -0.118 3.854 1.00 10.58 O ATOM 730 CB VAL A 701 8.606 2.504 4.475 1.00 8.87 C ATOM 731 CG1 VAL A 701 9.975 1.876 4.758 1.00 11.85 C ATOM 732 CG2 VAL A 701 8.629 4.063 4.565 1.00 9.87 C ATOM 733 H VAL A 701 5.906 2.089 3.324 1.00 0.00 H ATOM 734 N ASN A 702 8.618 -0.044 2.024 1.00 10.10 N ATOM 735 CA ASN A 702 8.637 -1.491 1.776 1.00 10.13 C ATOM 736 C ASN A 702 10.057 -2.004 1.864 1.00 11.03 C ATOM 737 O ASN A 702 10.969 -1.484 1.239 1.00 12.99 O ATOM 738 CB ASN A 702 8.049 -1.802 0.405 1.00 14.03 C ATOM 739 CG ASN A 702 6.658 -1.241 0.241 1.00 14.85 C ATOM 740 OD1 ASN A 702 5.819 -1.339 1.143 1.00 13.84 O ATOM 741 ND2 ASN A 702 6.411 -0.595 -0.892 1.00 22.85 N ATOM 742 HD22 ASN A 702 7.144 -0.535 -1.627 1.00 0.00 H ATOM 743 HD21 ASN A 702 5.484 -0.149 -1.045 1.00 0.00 H ATOM 744 H ASN A 702 9.145 0.575 1.376 1.00 0.00 H ATOM 745 N MET A 703 10.220 -3.053 2.657 1.00 12.11 N ATOM 746 CA MET A 703 11.513 -3.664 2.893 1.00 12.60 C ATOM 747 C MET A 703 11.501 -5.036 2.249 1.00 14.05 C ATOM 748 O MET A 703 10.787 -5.910 2.714 1.00 12.51 O ATOM 749 CB MET A 703 11.800 -3.769 4.389 1.00 12.62 C ATOM 750 CG MET A 703 11.707 -2.448 5.109 1.00 9.49 C ATOM 751 SD MET A 703 12.750 -1.139 4.394 1.00 14.48 S ATOM 752 CE MET A 703 14.283 -1.803 4.978 1.00 13.32 C ATOM 753 H MET A 703 9.385 -3.455 3.130 1.00 0.00 H ATOM 754 N GLU A 704 12.292 -5.208 1.186 1.00 15.36 N ATOM 755 CA GLU A 704 12.380 -6.487 0.476 1.00 14.44 C ATOM 756 C GLU A 704 13.459 -7.368 1.071 1.00 19.71 C ATOM 757 O GLU A 704 14.493 -6.863 1.517 1.00 24.23 O ATOM 758 CB GLU A 704 12.673 -6.237 -1.007 1.00 22.00 C ATOM 759 CG GLU A 704 11.493 -5.861 -1.861 1.00 22.12 C ATOM 760 CD GLU A 704 11.810 -5.951 -3.342 1.00 25.53 C ATOM 761 OE1 GLU A 704 11.997 -4.896 -3.985 1.00 26.05 O ATOM 762 OE2 GLU A 704 11.881 -7.085 -3.863 1.00 26.73 O ATOM 763 H GLU A 704 12.865 -4.407 0.851 1.00 0.00 H ATOM 764 N ILE A 705 13.187 -8.677 1.082 1.00 20.05 N ATOM 765 CA ILE A 705 14.174 -9.710 1.364 1.00 27.64 C ATOM 766 C ILE A 705 14.055 -10.637 0.164 1.00 22.16 C ATOM 767 O ILE A 705 13.227 -11.534 0.167 1.00 21.51 O ATOM 768 CB ILE A 705 13.899 -10.434 2.685 1.00 29.62 C ATOM 769 CG1 ILE A 705 13.814 -9.411 3.825 1.00 31.38 C ATOM 770 CG2 ILE A 705 14.992 -11.446 2.964 1.00 31.90 C ATOM 771 CD1 ILE A 705 13.335 -9.981 5.143 1.00 33.05 C ATOM 772 H ILE A 705 12.212 -8.975 0.877 1.00 0.00 H ATOM 773 N PRO A 706 14.781 -10.328 -0.930 1.00 25.75 N ATOM 774 CA PRO A 706 14.481 -11.001 -2.200 1.00 25.35 C ATOM 775 C PRO A 706 14.787 -12.486 -2.151 1.00 27.61 C ATOM 776 O PRO A 706 14.066 -13.278 -2.765 1.00 32.91 O ATOM 777 CB PRO A 706 15.385 -10.280 -3.209 1.00 35.08 C ATOM 778 CG PRO A 706 15.677 -8.958 -2.590 1.00 38.84 C ATOM 779 CD PRO A 706 15.703 -9.192 -1.109 1.00 32.96 C ATOM 780 N ALA A 707 15.823 -12.846 -1.402 1.00 29.76 N ATOM 781 CA ALA A 707 16.233 -14.244 -1.273 1.00 31.37 C ATOM 782 C ALA A 707 15.105 -15.078 -0.692 1.00 36.04 C ATOM 783 O ALA A 707 15.082 -16.294 -0.846 1.00 32.64 O ATOM 784 CB ALA A 707 17.471 -14.355 -0.414 1.00 32.08 C ATOM 785 H ALA A 707 16.358 -12.113 -0.893 1.00 0.00 H ATOM 786 N ALA A 708 14.154 -14.420 -0.037 1.00 33.03 N ATOM 787 CA ALA A 708 13.032 -15.113 0.568 1.00 24.87 C ATOM 788 C ALA A 708 11.705 -14.795 -0.102 1.00 22.94 C ATOM 789 O ALA A 708 10.669 -15.145 0.423 1.00 29.30 O ATOM 790 CB ALA A 708 12.967 -14.767 2.035 1.00 31.99 C ATOM 791 H ALA A 708 14.215 -13.385 0.044 1.00 0.00 H ATOM 792 N ASN A 709 11.744 -14.143 -1.260 1.00 31.75 N ATOM 793 CA ASN A 709 10.532 -13.719 -1.953 1.00 30.55 C ATOM 794 C ASN A 709 9.556 -13.031 -0.998 1.00 27.49 C ATOM 795 O ASN A 709 8.338 -13.272 -1.019 1.00 36.34 O ATOM 796 CB ASN A 709 9.878 -14.920 -2.643 1.00 46.00 C ATOM 797 CG ASN A 709 9.906 -14.798 -4.142 1.00 50.65 C ATOM 798 OD1 ASN A 709 9.015 -14.198 -4.745 1.00 54.55 O ATOM 799 ND2 ASN A 709 10.949 -15.341 -4.755 1.00 49.70 N ATOM 800 HD22 ASN A 709 11.676 -15.838 -4.202 1.00 0.00 H ATOM 801 HD21 ASN A 709 11.040 -15.270 -5.789 1.00 0.00 H ATOM 802 H ASN A 709 12.668 -13.928 -1.686 1.00 0.00 H ATOM 803 N LEU A 710 10.116 -12.153 -0.174 1.00 25.43 N ATOM 804 CA LEU A 710 9.388 -11.528 0.924 1.00 22.36 C ATOM 805 C LEU A 710 9.455 -10.013 0.793 1.00 16.51 C ATOM 806 O LEU A 710 10.507 -9.502 0.465 1.00 20.04 O ATOM 807 CB LEU A 710 9.998 -11.974 2.243 1.00 25.16 C ATOM 808 CG LEU A 710 9.373 -11.600 3.575 1.00 29.11 C ATOM 809 CD1 LEU A 710 7.937 -12.040 3.611 1.00 24.00 C ATOM 810 CD2 LEU A 710 10.183 -12.286 4.692 1.00 26.98 C ATOM 811 H LEU A 710 11.115 -11.901 -0.318 1.00 0.00 H ATOM 812 N VAL A 711 8.329 -9.336 1.004 1.00 17.81 N ATOM 813 CA VAL A 711 8.308 -7.877 1.145 1.00 13.28 C ATOM 814 C VAL A 711 7.471 -7.553 2.371 1.00 14.50 C ATOM 815 O VAL A 711 6.312 -7.993 2.472 1.00 17.12 O ATOM 816 CB VAL A 711 7.710 -7.163 -0.074 1.00 16.81 C ATOM 817 CG1 VAL A 711 7.774 -5.657 0.105 1.00 16.86 C ATOM 818 CG2 VAL A 711 8.400 -7.604 -1.372 1.00 27.51 C ATOM 819 H VAL A 711 7.433 -9.860 1.071 1.00 0.00 H ATOM 820 N ASN A 712 8.076 -6.824 3.307 1.00 12.96 N ATOM 821 CA ASN A 712 7.360 -6.327 4.469 1.00 12.20 C ATOM 822 C ASN A 712 6.950 -4.896 4.180 1.00 13.70 C ATOM 823 O ASN A 712 7.815 -4.033 4.019 1.00 12.59 O ATOM 824 CB ASN A 712 8.209 -6.380 5.716 1.00 8.84 C ATOM 825 CG ASN A 712 8.549 -7.798 6.127 1.00 12.72 C ATOM 826 OD1 ASN A 712 7.809 -8.716 5.826 1.00 14.46 O ATOM 827 ND2 ASN A 712 9.649 -7.963 6.817 1.00 11.82 N ATOM 828 HD22 ASN A 712 10.246 -7.143 7.047 1.00 0.00 H ATOM 829 HD21 ASN A 712 9.926 -8.914 7.135 1.00 0.00 H ATOM 830 H ASN A 712 9.087 -6.605 3.203 1.00 0.00 H ATOM 831 N LYS A 713 5.643 -4.680 4.113 1.00 12.36 N ATOM 832 CA LYS A 713 5.084 -3.379 3.747 1.00 9.10 C ATOM 833 C LYS A 713 4.734 -2.596 4.985 1.00 11.78 C ATOM 834 O LYS A 713 4.206 -3.143 5.955 1.00 11.50 O ATOM 835 CB LYS A 713 3.850 -3.533 2.871 1.00 12.97 C ATOM 836 CG LYS A 713 4.096 -4.286 1.565 1.00 18.70 C ATOM 837 CD LYS A 713 2.804 -4.381 0.732 1.00 20.93 C ATOM 838 CE LYS A 713 3.095 -4.615 -0.741 1.00 23.89 C ATOM 839 NZ LYS A 713 3.797 -5.904 -0.985 1.00 25.21 N ATOM 840 HZ1 LYS A 713 4.703 -5.906 -0.475 1.00 0.00 H ATOM 841 HZ2 LYS A 713 3.205 -6.689 -0.646 1.00 0.00 H ATOM 842 HZ3 LYS A 713 3.972 -6.015 -2.004 1.00 0.00 H ATOM 843 H LYS A 713 4.993 -5.463 4.328 1.00 0.00 H ATOM 844 N TYR A 714 5.020 -1.303 4.909 1.00 10.22 N ATOM 845 CA TYR A 714 4.622 -0.347 5.932 1.00 8.14 C ATOM 846 C TYR A 714 4.042 0.906 5.303 1.00 8.35 C ATOM 847 O TYR A 714 4.349 1.260 4.168 1.00 11.92 O ATOM 848 CB TYR A 714 5.784 0.081 6.800 1.00 7.92 C ATOM 849 CG TYR A 714 6.641 -0.984 7.404 1.00 9.76 C ATOM 850 CD1 TYR A 714 7.646 -1.568 6.670 1.00 10.76 C ATOM 851 CD2 TYR A 714 6.479 -1.378 8.726 1.00 9.25 C ATOM 852 CE1 TYR A 714 8.475 -2.527 7.224 1.00 11.73 C ATOM 853 CE2 TYR A 714 7.284 -2.320 9.289 1.00 10.25 C ATOM 854 CZ TYR A 714 8.276 -2.908 8.541 1.00 9.97 C ATOM 855 OH TYR A 714 9.090 -3.833 9.114 1.00 11.30 O ATOM 856 HH TYR A 714 8.546 -4.594 9.438 1.00 0.00 H ATOM 857 H TYR A 714 5.551 -0.958 4.084 1.00 0.00 H ATOM 858 N ILE A 715 3.248 1.609 6.100 1.00 9.31 N ATOM 859 CA ILE A 715 3.010 3.042 5.862 1.00 11.16 C ATOM 860 C ILE A 715 3.555 3.708 7.089 1.00 6.60 C ATOM 861 O ILE A 715 3.105 3.436 8.198 1.00 7.71 O ATOM 862 CB ILE A 715 1.552 3.352 5.648 1.00 9.95 C ATOM 863 CG1 ILE A 715 1.116 2.813 4.283 1.00 11.75 C ATOM 864 CG2 ILE A 715 1.300 4.865 5.722 1.00 11.16 C ATOM 865 CD1 ILE A 715 -0.349 2.851 4.027 1.00 16.13 C ATOM 866 H ILE A 715 2.786 1.140 6.906 1.00 0.00 H ATOM 867 N ALA A 716 4.571 4.549 6.901 1.00 6.67 N ATOM 868 CA ALA A 716 5.187 5.295 7.977 1.00 9.07 C ATOM 869 C ALA A 716 4.637 6.733 8.000 1.00 8.91 C ATOM 870 O ALA A 716 4.656 7.443 6.990 1.00 9.15 O ATOM 871 CB ALA A 716 6.691 5.279 7.814 1.00 10.42 C ATOM 872 H ALA A 716 4.938 4.675 5.936 1.00 0.00 H ATOM 873 N THR A 717 4.078 7.142 9.139 1.00 7.79 N ATOM 874 CA THR A 717 3.420 8.456 9.194 1.00 8.36 C ATOM 875 C THR A 717 3.716 9.089 10.549 1.00 7.24 C ATOM 876 O THR A 717 4.314 8.463 11.430 1.00 8.90 O ATOM 877 CB THR A 717 1.911 8.325 8.920 1.00 8.45 C ATOM 878 OG1 THR A 717 1.322 9.607 8.738 1.00 9.51 O ATOM 879 CG2 THR A 717 1.189 7.561 9.993 1.00 6.99 C ATOM 880 HG1 THR A 717 1.750 10.059 7.968 1.00 0.00 H ATOM 881 H THR A 717 4.107 6.536 9.983 1.00 0.00 H ATOM 882 N GLN A 718 3.393 10.375 10.653 1.00 9.97 N ATOM 883 CA GLN A 718 3.484 11.148 11.885 1.00 7.53 C ATOM 884 C GLN A 718 2.303 10.916 12.818 1.00 9.04 C ATOM 885 O GLN A 718 1.298 10.337 12.411 1.00 7.85 O ATOM 886 CB GLN A 718 3.564 12.617 11.533 1.00 8.68 C ATOM 887 CG GLN A 718 2.270 13.153 10.957 1.00 9.98 C ATOM 888 CD GLN A 718 2.330 14.618 10.575 1.00 9.50 C ATOM 889 OE1 GLN A 718 3.391 15.195 10.337 1.00 8.32 O ATOM 890 NE2 GLN A 718 1.178 15.240 10.511 1.00 9.38 N ATOM 891 HE22 GLN A 718 0.298 14.726 10.717 1.00 0.00 H ATOM 892 HE21 GLN A 718 1.144 16.247 10.254 1.00 0.00 H ATOM 893 H GLN A 718 3.053 10.861 9.799 1.00 0.00 H ATOM 894 N GLY A 719 2.403 11.429 14.042 1.00 8.80 N ATOM 895 CA GLY A 719 1.274 11.471 14.945 1.00 9.78 C ATOM 896 C GLY A 719 0.276 12.473 14.386 1.00 8.04 C ATOM 897 O GLY A 719 0.620 13.638 14.202 1.00 8.26 O ATOM 898 H GLY A 719 3.318 11.810 14.358 1.00 0.00 H ATOM 899 N PRO A 720 -0.969 12.057 14.163 1.00 7.93 N ATOM 900 CA PRO A 720 -1.928 13.021 13.612 1.00 8.80 C ATOM 901 C PRO A 720 -2.100 14.275 14.453 1.00 8.28 C ATOM 902 O PRO A 720 -1.936 14.279 15.669 1.00 11.64 O ATOM 903 CB PRO A 720 -3.245 12.228 13.573 1.00 11.81 C ATOM 904 CG PRO A 720 -2.833 10.835 13.497 1.00 12.32 C ATOM 905 CD PRO A 720 -1.541 10.700 14.249 1.00 9.23 C ATOM 906 N LEU A 721 -2.451 15.330 13.749 1.00 8.05 N ATOM 907 CA LEU A 721 -2.823 16.610 14.346 1.00 9.38 C ATOM 908 C LEU A 721 -4.339 16.650 14.468 1.00 10.51 C ATOM 909 O LEU A 721 -5.042 15.828 13.882 1.00 10.34 O ATOM 910 CB LEU A 721 -2.291 17.745 13.472 1.00 10.83 C ATOM 911 CG LEU A 721 -0.763 17.824 13.391 1.00 12.35 C ATOM 912 CD1 LEU A 721 -0.319 18.465 12.076 1.00 12.21 C ATOM 913 CD2 LEU A 721 -0.167 18.575 14.540 1.00 10.80 C ATOM 914 H LEU A 721 -2.464 15.248 12.712 1.00 0.00 H ATOM 915 N PRO A 722 -4.882 17.606 15.222 1.00 8.92 N ATOM 916 CA PRO A 722 -6.349 17.646 15.295 1.00 12.07 C ATOM 917 C PRO A 722 -7.026 17.642 13.916 1.00 11.33 C ATOM 918 O PRO A 722 -7.982 16.897 13.692 1.00 11.39 O ATOM 919 CB PRO A 722 -6.622 18.967 16.038 1.00 11.01 C ATOM 920 CG PRO A 722 -5.393 19.298 16.728 1.00 14.59 C ATOM 921 CD PRO A 722 -4.250 18.707 15.962 1.00 8.92 C ATOM 922 N HIS A 723 -6.455 18.400 12.978 1.00 10.98 N ATOM 923 CA HIS A 723 -7.028 18.566 11.657 1.00 14.03 C ATOM 924 C HIS A 723 -6.513 17.570 10.631 1.00 13.38 C ATOM 925 O HIS A 723 -6.774 17.725 9.438 1.00 14.98 O ATOM 926 CB HIS A 723 -6.787 19.993 11.164 1.00 17.36 C ATOM 927 CG HIS A 723 -5.366 20.439 11.265 1.00 16.06 C ATOM 928 ND1 HIS A 723 -4.791 20.833 12.457 1.00 11.99 N ATOM 929 CD2 HIS A 723 -4.401 20.570 10.323 1.00 15.52 C ATOM 930 CE1 HIS A 723 -3.533 21.176 12.241 1.00 15.58 C ATOM 931 NE2 HIS A 723 -3.269 21.003 10.959 1.00 13.13 N ATOM 932 H HIS A 723 -5.566 18.890 13.203 1.00 0.00 H ATOM 933 N THR A 724 -5.788 16.533 11.073 1.00 7.44 N ATOM 934 CA THR A 724 -5.352 15.506 10.125 1.00 7.17 C ATOM 935 C THR A 724 -5.884 14.120 10.520 1.00 9.62 C ATOM 936 O THR A 724 -5.596 13.120 9.851 1.00 10.14 O ATOM 937 CB THR A 724 -3.816 15.481 9.927 1.00 9.38 C ATOM 938 OG1 THR A 724 -3.145 14.927 11.067 1.00 9.66 O ATOM 939 CG2 THR A 724 -3.286 16.848 9.599 1.00 10.32 C ATOM 940 HG1 THR A 724 -2.168 14.927 10.906 1.00 0.00 H ATOM 941 H THR A 724 -5.538 16.459 12.080 1.00 0.00 H ATOM 942 N CYS A 725 -6.706 14.060 11.563 1.00 11.18 N ATOM 943 CA CYS A 725 -7.311 12.807 11.954 1.00 9.26 C ATOM 944 C CYS A 725 -8.170 12.231 10.837 1.00 9.07 C ATOM 945 O CYS A 725 -8.216 11.005 10.641 1.00 10.95 O ATOM 946 CB CYS A 725 -8.141 12.971 13.213 1.00 13.28 C ATOM 947 SG CYS A 725 -7.180 13.288 14.675 1.00 13.09 S ATOM 948 H CYS A 725 -6.916 14.924 12.103 1.00 0.00 H ATOM 949 N ALA A 726 -8.896 13.097 10.136 1.00 10.92 N ATOM 950 CA ALA A 726 -9.771 12.632 9.067 1.00 13.01 C ATOM 951 C ALA A 726 -8.968 11.906 7.972 1.00 14.12 C ATOM 952 O ALA A 726 -9.389 10.865 7.469 1.00 14.71 O ATOM 953 CB ALA A 726 -10.551 13.816 8.476 1.00 15.04 C ATOM 954 H ALA A 726 -8.839 14.113 10.352 1.00 0.00 H ATOM 955 N GLN A 727 -7.811 12.458 7.604 1.00 11.87 N ATOM 956 CA GLN A 727 -7.000 11.861 6.556 1.00 13.50 C ATOM 957 C GLN A 727 -6.339 10.568 7.053 1.00 10.57 C ATOM 958 O GLN A 727 -6.222 9.630 6.286 1.00 12.44 O ATOM 959 CB GLN A 727 -5.938 12.822 6.027 1.00 14.83 C ATOM 960 CG GLN A 727 -6.514 13.985 5.225 1.00 15.00 C ATOM 961 CD GLN A 727 -7.054 15.095 6.098 1.00 18.91 C ATOM 962 OE1 GLN A 727 -6.549 15.327 7.177 1.00 18.27 O ATOM 963 NE2 GLN A 727 -8.055 15.833 5.600 1.00 17.61 N ATOM 964 HE22 GLN A 727 -8.460 15.600 4.671 1.00 0.00 H ATOM 965 HE21 GLN A 727 -8.427 16.638 6.143 1.00 0.00 H ATOM 966 H GLN A 727 -7.485 13.327 8.073 1.00 0.00 H ATOM 967 N PHE A 728 -5.874 10.546 8.308 1.00 10.01 N ATOM 968 CA PHE A 728 -5.298 9.351 8.921 1.00 9.41 C ATOM 969 C PHE A 728 -6.258 8.182 8.828 1.00 9.38 C ATOM 970 O PHE A 728 -5.905 7.103 8.325 1.00 8.98 O ATOM 971 CB PHE A 728 -4.929 9.663 10.400 1.00 7.19 C ATOM 972 CG PHE A 728 -4.388 8.502 11.151 1.00 7.81 C ATOM 973 CD1 PHE A 728 -5.227 7.611 11.792 1.00 9.33 C ATOM 974 CD2 PHE A 728 -3.022 8.300 11.204 1.00 10.93 C ATOM 975 CE1 PHE A 728 -4.722 6.530 12.484 1.00 11.96 C ATOM 976 CE2 PHE A 728 -2.498 7.219 11.895 1.00 10.37 C ATOM 977 CZ PHE A 728 -3.351 6.335 12.534 1.00 11.82 C ATOM 978 H PHE A 728 -5.925 11.418 8.872 1.00 0.00 H ATOM 979 N TRP A 729 -7.494 8.393 9.279 1.00 10.19 N ATOM 980 CA TRP A 729 -8.471 7.313 9.237 1.00 8.18 C ATOM 981 C TRP A 729 -8.877 6.974 7.820 1.00 11.37 C ATOM 982 O TRP A 729 -9.234 5.824 7.568 1.00 11.09 O ATOM 983 CB TRP A 729 -9.682 7.653 10.095 1.00 13.78 C ATOM 984 CG TRP A 729 -9.391 7.506 11.579 1.00 10.42 C ATOM 985 CD1 TRP A 729 -9.394 8.499 12.516 1.00 8.74 C ATOM 986 CD2 TRP A 729 -9.072 6.305 12.277 1.00 8.24 C ATOM 987 NE1 TRP A 729 -9.101 7.989 13.752 1.00 10.89 N ATOM 988 CE2 TRP A 729 -8.888 6.637 13.633 1.00 10.16 C ATOM 989 CE3 TRP A 729 -8.937 4.952 11.893 1.00 11.37 C ATOM 990 CZ2 TRP A 729 -8.570 5.671 14.608 1.00 10.15 C ATOM 991 CZ3 TRP A 729 -8.618 4.013 12.859 1.00 9.42 C ATOM 992 CH2 TRP A 729 -8.455 4.363 14.196 1.00 9.02 C ATOM 993 HE1 TRP A 729 -9.048 8.535 14.636 1.00 0.00 H ATOM 994 H TRP A 729 -7.760 9.324 9.659 1.00 0.00 H ATOM 995 N GLN A 730 -8.850 7.929 6.897 1.00 11.64 N ATOM 996 CA GLN A 730 -9.135 7.630 5.500 1.00 14.33 C ATOM 997 C GLN A 730 -8.080 6.698 4.919 1.00 14.03 C ATOM 998 O GLN A 730 -8.426 5.816 4.123 1.00 17.75 O ATOM 999 CB GLN A 730 -9.232 8.917 4.662 1.00 15.38 C ATOM 1000 CG GLN A 730 -9.744 8.701 3.223 1.00 16.79 C ATOM 1001 CD GLN A 730 -11.199 8.331 3.210 1.00 20.55 C ATOM 1002 OE1 GLN A 730 -12.037 9.092 3.689 1.00 23.39 O ATOM 1003 NE2 GLN A 730 -11.511 7.142 2.689 1.00 21.73 N ATOM 1004 HE22 GLN A 730 -10.764 6.534 2.296 1.00 0.00 H ATOM 1005 HE21 GLN A 730 -12.501 6.823 2.676 1.00 0.00 H ATOM 1006 H GLN A 730 -8.622 8.905 7.176 1.00 0.00 H ATOM 1007 N VAL A 731 -6.805 6.878 5.261 1.00 11.77 N ATOM 1008 CA VAL A 731 -5.773 5.911 4.819 1.00 13.15 C ATOM 1009 C VAL A 731 -6.089 4.516 5.344 1.00 11.27 C ATOM 1010 O VAL A 731 -6.034 3.498 4.609 1.00 12.06 O ATOM 1011 CB VAL A 731 -4.364 6.349 5.284 1.00 10.19 C ATOM 1012 CG1 VAL A 731 -3.291 5.256 5.002 1.00 14.16 C ATOM 1013 CG2 VAL A 731 -3.998 7.598 4.582 1.00 11.34 C ATOM 1014 H VAL A 731 -6.534 7.699 5.839 1.00 0.00 H ATOM 1015 N VAL A 732 -6.388 4.445 6.632 1.00 11.67 N ATOM 1016 CA VAL A 732 -6.723 3.182 7.254 1.00 9.19 C ATOM 1017 C VAL A 732 -7.900 2.563 6.540 1.00 11.10 C ATOM 1018 O VAL A 732 -7.878 1.370 6.280 1.00 13.82 O ATOM 1019 CB VAL A 732 -7.028 3.373 8.758 1.00 9.27 C ATOM 1020 CG1 VAL A 732 -7.636 2.131 9.400 1.00 11.36 C ATOM 1021 CG2 VAL A 732 -5.758 3.771 9.463 1.00 11.83 C ATOM 1022 H VAL A 732 -6.382 5.312 7.207 1.00 0.00 H ATOM 1023 N TRP A 733 -8.925 3.351 6.208 1.00 11.78 N ATOM 1024 CA TRP A 733 -10.079 2.798 5.497 1.00 13.37 C ATOM 1025 C TRP A 733 -9.771 2.371 4.062 1.00 13.41 C ATOM 1026 O TRP A 733 -10.140 1.242 3.656 1.00 16.11 O ATOM 1027 CB TRP A 733 -11.239 3.810 5.469 1.00 11.66 C ATOM 1028 CG TRP A 733 -12.461 3.209 4.863 1.00 15.16 C ATOM 1029 CD1 TRP A 733 -12.850 3.272 3.562 1.00 21.33 C ATOM 1030 CD2 TRP A 733 -13.422 2.396 5.537 1.00 13.14 C ATOM 1031 NE1 TRP A 733 -13.999 2.543 3.380 1.00 16.91 N ATOM 1032 CE2 TRP A 733 -14.379 2.004 4.579 1.00 17.48 C ATOM 1033 CE3 TRP A 733 -13.567 1.959 6.853 1.00 15.73 C ATOM 1034 CZ2 TRP A 733 -15.458 1.192 4.899 1.00 16.94 C ATOM 1035 CZ3 TRP A 733 -14.666 1.170 7.174 1.00 19.35 C ATOM 1036 CH2 TRP A 733 -15.589 0.789 6.198 1.00 21.41 C ATOM 1037 HE1 TRP A 733 -14.500 2.420 2.477 1.00 0.00 H ATOM 1038 H TRP A 733 -8.904 4.361 6.455 1.00 0.00 H ATOM 1039 N ASP A 734 -9.124 3.255 3.303 1.00 11.84 N ATOM 1040 CA ASP A 734 -8.791 3.030 1.879 1.00 13.23 C ATOM 1041 C ASP A 734 -8.114 1.681 1.704 1.00 19.80 C ATOM 1042 O ASP A 734 -8.418 0.894 0.798 1.00 19.99 O ATOM 1043 CB ASP A 734 -7.830 4.078 1.339 1.00 18.77 C ATOM 1044 CG ASP A 734 -8.474 5.404 1.027 1.00 17.88 C ATOM 1045 OD1 ASP A 734 -9.722 5.527 1.018 1.00 20.98 O ATOM 1046 OD2 ASP A 734 -7.673 6.329 0.777 1.00 19.77 O ATOM 1047 H ASP A 734 -8.836 4.155 3.737 1.00 0.00 H ATOM 1048 N GLN A 735 -7.176 1.421 2.587 1.00 18.33 N ATOM 1049 CA GLN A 735 -6.331 0.250 2.425 1.00 17.97 C ATOM 1050 C GLN A 735 -6.685 -0.873 3.385 1.00 17.41 C ATOM 1051 O GLN A 735 -5.983 -1.880 3.422 1.00 18.56 O ATOM 1052 CB GLN A 735 -4.881 0.684 2.560 1.00 20.61 C ATOM 1053 CG GLN A 735 -4.596 1.867 1.640 1.00 23.31 C ATOM 1054 CD GLN A 735 -3.134 2.125 1.352 1.00 23.83 C ATOM 1055 OE1 GLN A 735 -2.268 1.243 1.468 1.00 19.11 O ATOM 1056 NE2 GLN A 735 -2.844 3.369 0.954 1.00 21.93 N ATOM 1057 HE22 GLN A 735 -3.600 4.078 0.870 1.00 0.00 H ATOM 1058 HE21 GLN A 735 -1.862 3.627 0.728 1.00 0.00 H ATOM 1059 H GLN A 735 -7.039 2.053 3.401 1.00 0.00 H ATOM 1060 N LYS A 736 -7.825 -0.728 4.062 1.00 15.59 N ATOM 1061 CA LYS A 736 -8.341 -1.686 5.047 1.00 18.95 C ATOM 1062 C LYS A 736 -7.227 -2.234 5.912 1.00 20.40 C ATOM 1063 O LYS A 736 -7.086 -3.449 6.113 1.00 17.71 O ATOM 1064 CB LYS A 736 -9.106 -2.810 4.352 1.00 18.77 C ATOM 1065 CG LYS A 736 -10.362 -2.321 3.646 1.00 23.82 C ATOM 1066 CD LYS A 736 -11.330 -1.601 4.597 1.00 20.94 C ATOM 1067 CE LYS A 736 -12.614 -1.221 3.879 1.00 18.52 C ATOM 1068 NZ LYS A 736 -12.350 -0.431 2.644 1.00 18.29 N ATOM 1069 HZ1 LYS A 736 -11.846 0.444 2.895 1.00 0.00 H ATOM 1070 HZ2 LYS A 736 -11.767 -0.994 1.992 1.00 0.00 H ATOM 1071 HZ3 LYS A 736 -13.253 -0.193 2.186 1.00 0.00 H ATOM 1072 H LYS A 736 -8.389 0.126 3.879 1.00 0.00 H ATOM 1073 N LEU A 737 -6.450 -1.296 6.456 1.00 13.25 N ATOM 1074 CA LEU A 737 -5.355 -1.649 7.326 1.00 13.69 C ATOM 1075 C LEU A 737 -5.863 -2.175 8.660 1.00 15.16 C ATOM 1076 O LEU A 737 -6.617 -1.483 9.331 1.00 18.24 O ATOM 1077 CB LEU A 737 -4.471 -0.431 7.541 1.00 12.96 C ATOM 1078 CG LEU A 737 -3.919 0.271 6.301 1.00 14.14 C ATOM 1079 CD1 LEU A 737 -3.024 1.430 6.717 1.00 16.99 C ATOM 1080 CD2 LEU A 737 -3.133 -0.714 5.452 1.00 14.47 C ATOM 1081 H LEU A 737 -6.637 -0.294 6.249 1.00 0.00 H ATOM 1082 N SER A 738 -5.395 -3.348 9.072 1.00 12.84 N ATOM 1083 CA SER A 738 -5.903 -3.967 10.295 1.00 13.45 C ATOM 1084 C SER A 738 -4.975 -3.815 11.495 1.00 11.59 C ATOM 1085 O SER A 738 -5.334 -4.206 12.610 1.00 12.44 O ATOM 1086 CB SER A 738 -6.175 -5.451 10.069 1.00 19.77 C ATOM 1087 OG SER A 738 -4.968 -6.172 10.020 1.00 12.54 O ATOM 1088 HG SER A 738 -4.411 -5.830 9.277 1.00 0.00 H ATOM 1089 H SER A 738 -4.659 -3.831 8.518 1.00 0.00 H ATOM 1090 N LEU A 739 -3.816 -3.189 11.297 1.00 10.93 N ATOM 1091 CA LEU A 739 -2.837 -3.020 12.380 1.00 8.69 C ATOM 1092 C LEU A 739 -2.166 -1.666 12.318 1.00 8.51 C ATOM 1093 O LEU A 739 -1.521 -1.316 11.302 1.00 9.47 O ATOM 1094 CB LEU A 739 -1.767 -4.102 12.346 1.00 9.61 C ATOM 1095 CG LEU A 739 -0.700 -4.101 13.467 1.00 9.61 C ATOM 1096 CD1 LEU A 739 -1.366 -4.347 14.853 1.00 16.40 C ATOM 1097 CD2 LEU A 739 0.367 -5.179 13.210 1.00 11.15 C ATOM 1098 H LEU A 739 -3.599 -2.811 10.353 1.00 0.00 H ATOM 1099 N ILE A 740 -2.344 -0.942 13.420 1.00 9.42 N ATOM 1100 CA ILE A 740 -1.668 0.323 13.677 1.00 6.78 C ATOM 1101 C ILE A 740 -0.724 0.159 14.841 1.00 10.99 C ATOM 1102 O ILE A 740 -1.124 -0.355 15.906 1.00 10.27 O ATOM 1103 CB ILE A 740 -2.677 1.452 14.034 1.00 11.31 C ATOM 1104 CG1 ILE A 740 -3.665 1.712 12.900 1.00 9.39 C ATOM 1105 CG2 ILE A 740 -1.927 2.711 14.415 1.00 8.84 C ATOM 1106 CD1 ILE A 740 -4.792 2.593 13.300 1.00 11.45 C ATOM 1107 H ILE A 740 -3.004 -1.300 14.140 1.00 0.00 H ATOM 1108 N VAL A 741 0.528 0.582 14.641 1.00 8.67 N ATOM 1109 CA VAL A 741 1.561 0.550 15.677 1.00 6.46 C ATOM 1110 C VAL A 741 1.971 2.003 15.960 1.00 6.82 C ATOM 1111 O VAL A 741 2.516 2.680 15.099 1.00 9.75 O ATOM 1112 CB VAL A 741 2.767 -0.304 15.261 1.00 7.73 C ATOM 1113 CG1 VAL A 741 3.839 -0.275 16.312 1.00 9.84 C ATOM 1114 CG2 VAL A 741 2.341 -1.735 15.003 1.00 10.37 C ATOM 1115 H VAL A 741 0.781 0.952 13.703 1.00 0.00 H ATOM 1116 N MET A 742 1.702 2.448 17.184 1.00 6.27 N ATOM 1117 CA MET A 742 1.959 3.810 17.634 1.00 6.05 C ATOM 1118 C MET A 742 3.062 3.809 18.668 1.00 9.95 C ATOM 1119 O MET A 742 2.890 3.259 19.741 1.00 11.20 O ATOM 1120 CB MET A 742 0.687 4.410 18.233 1.00 6.90 C ATOM 1121 CG MET A 742 0.852 5.717 18.978 1.00 8.97 C ATOM 1122 SD MET A 742 -0.768 6.315 19.495 1.00 10.11 S ATOM 1123 CE MET A 742 -0.298 7.840 20.371 1.00 9.16 C ATOM 1124 H MET A 742 1.282 1.782 17.863 1.00 0.00 H ATOM 1125 N LEU A 743 4.172 4.425 18.339 1.00 6.71 N ATOM 1126 CA LEU A 743 5.358 4.405 19.184 1.00 6.70 C ATOM 1127 C LEU A 743 5.628 5.729 19.858 1.00 11.83 C ATOM 1128 O LEU A 743 6.681 6.323 19.672 1.00 18.56 O ATOM 1129 CB LEU A 743 6.585 4.012 18.347 1.00 9.53 C ATOM 1130 CG LEU A 743 6.449 2.713 17.533 1.00 5.84 C ATOM 1131 CD1 LEU A 743 7.662 2.593 16.583 1.00 10.01 C ATOM 1132 CD2 LEU A 743 6.305 1.459 18.369 1.00 7.63 C ATOM 1133 H LEU A 743 4.207 4.948 17.441 1.00 0.00 H ATOM 1134 N THR A 744 4.628 6.209 20.572 1.00 9.88 N ATOM 1135 CA THR A 744 4.756 7.427 21.323 1.00 10.31 C ATOM 1136 C THR A 744 3.628 7.501 22.349 1.00 9.78 C ATOM 1137 O THR A 744 2.548 6.938 22.177 1.00 9.05 O ATOM 1138 CB THR A 744 4.708 8.666 20.396 1.00 11.48 C ATOM 1139 OG1 THR A 744 4.852 9.859 21.175 1.00 11.27 O ATOM 1140 CG2 THR A 744 3.392 8.736 19.644 1.00 12.74 C ATOM 1141 HG1 THR A 744 4.115 9.913 21.833 1.00 0.00 H ATOM 1142 H THR A 744 3.725 5.693 20.592 1.00 0.00 H ATOM 1143 N THR A 745 3.879 8.210 23.441 1.00 11.02 N ATOM 1144 CA THR A 745 2.805 8.686 24.320 1.00 12.65 C ATOM 1145 C THR A 745 2.141 9.896 23.682 1.00 11.16 C ATOM 1146 O THR A 745 2.701 10.502 22.776 1.00 10.91 O ATOM 1147 CB THR A 745 3.367 9.032 25.695 1.00 13.08 C ATOM 1148 OG1 THR A 745 4.448 9.961 25.539 1.00 11.58 O ATOM 1149 CG2 THR A 745 3.906 7.757 26.361 1.00 12.18 C ATOM 1150 HG1 THR A 745 5.156 9.551 24.982 1.00 0.00 H ATOM 1151 H THR A 745 4.865 8.435 23.681 1.00 0.00 H ATOM 1152 N LEU A 746 0.956 10.256 24.144 1.00 11.73 N ATOM 1153 CA LEU A 746 0.249 11.419 23.592 1.00 10.33 C ATOM 1154 C LEU A 746 0.976 12.727 23.867 1.00 14.68 C ATOM 1155 O LEU A 746 0.961 13.639 23.027 1.00 11.55 O ATOM 1156 CB LEU A 746 -1.164 11.494 24.143 1.00 11.92 C ATOM 1157 CG LEU A 746 -2.067 10.383 23.615 1.00 14.70 C ATOM 1158 CD1 LEU A 746 -3.357 10.365 24.413 1.00 16.38 C ATOM 1159 CD2 LEU A 746 -2.352 10.592 22.128 1.00 11.37 C ATOM 1160 H LEU A 746 0.517 9.707 24.911 1.00 0.00 H ATOM 1161 N THR A 747 1.612 12.805 25.033 1.00 13.23 N ATOM 1162 CA THR A 747 2.297 14.018 25.467 1.00 17.36 C ATOM 1163 C THR A 747 3.659 13.649 26.017 1.00 11.74 C ATOM 1164 O THR A 747 3.864 12.538 26.500 1.00 14.19 O ATOM 1165 CB THR A 747 1.496 14.788 26.555 1.00 15.04 C ATOM 1166 OG1 THR A 747 1.545 14.061 27.796 1.00 19.85 O ATOM 1167 CG2 THR A 747 0.053 15.002 26.146 1.00 17.43 C ATOM 1168 HG1 THR A 747 1.147 13.164 27.667 1.00 0.00 H ATOM 1169 H THR A 747 1.621 11.973 25.657 1.00 0.00 H ATOM 1170 N GLU A 748 4.582 14.598 25.938 1.00 12.46 N ATOM 1171 CA GLU A 748 5.854 14.509 26.627 1.00 11.75 C ATOM 1172 C GLU A 748 6.169 15.889 27.199 1.00 14.41 C ATOM 1173 O GLU A 748 6.010 16.879 26.498 1.00 19.42 O ATOM 1174 CB GLU A 748 6.977 14.071 25.699 1.00 14.24 C ATOM 1175 CG GLU A 748 6.920 12.593 25.244 1.00 16.25 C ATOM 1176 CD GLU A 748 8.265 12.129 24.703 1.00 18.26 C ATOM 1177 OE1 GLU A 748 8.302 11.239 23.839 1.00 17.92 O ATOM 1178 OE2 GLU A 748 9.302 12.683 25.140 1.00 24.23 O ATOM 1179 H GLU A 748 4.385 15.439 25.359 1.00 0.00 H ATOM 1180 N ARG A 749 6.575 15.932 28.468 1.00 15.72 N ATOM 1181 CA ARG A 749 7.060 17.168 29.100 1.00 21.08 C ATOM 1182 C ARG A 749 6.087 18.340 28.924 1.00 23.16 C ATOM 1183 O ARG A 749 6.504 19.488 28.716 1.00 21.02 O ATOM 1184 CB ARG A 749 8.427 17.538 28.534 1.00 21.34 C ATOM 1185 CG ARG A 749 9.526 16.499 28.805 1.00 28.87 C ATOM 1186 CD ARG A 749 10.870 16.961 28.273 1.00 29.82 C ATOM 1187 NE ARG A 749 11.925 15.986 28.534 1.00 32.56 N ATOM 1188 CZ ARG A 749 13.200 16.151 28.193 1.00 33.82 C ATOM 1189 NH1 ARG A 749 13.589 17.258 27.575 1.00 34.98 N ATOM 1190 NH2 ARG A 749 14.088 15.208 28.472 1.00 34.37 N ATOM 1191 HE ARG A 749 11.662 15.104 29.019 1.00 0.00 H ATOM 1192 HH12 ARG A 749 14.587 17.382 27.310 1.00 0.00 H ATOM 1193 HH11 ARG A 749 12.896 18.002 27.355 1.00 0.00 H ATOM 1194 HH22 ARG A 749 15.085 15.337 28.205 1.00 0.00 H ATOM 1195 HH21 ARG A 749 13.788 14.339 28.958 1.00 0.00 H ATOM 1196 H ARG A 749 6.548 15.059 29.032 1.00 0.00 H ATOM 1197 N GLY A 750 4.794 18.038 29.019 1.00 16.35 N ATOM 1198 CA GLY A 750 3.741 19.040 29.003 1.00 19.93 C ATOM 1199 C GLY A 750 3.289 19.513 27.634 1.00 17.13 C ATOM 1200 O GLY A 750 2.490 20.447 27.542 1.00 19.58 O ATOM 1201 H GLY A 750 4.524 17.038 29.109 1.00 0.00 H ATOM 1202 N ARG A 751 3.828 18.895 26.592 1.00 14.90 N ATOM 1203 CA ARG A 751 3.498 19.227 25.211 1.00 13.66 C ATOM 1204 C ARG A 751 2.926 18.022 24.467 1.00 18.05 C ATOM 1205 O ARG A 751 3.375 16.890 24.673 1.00 15.69 O ATOM 1206 CB ARG A 751 4.743 19.744 24.495 1.00 16.57 C ATOM 1207 CG ARG A 751 5.286 21.040 25.100 1.00 21.77 C ATOM 1208 CD ARG A 751 6.645 21.395 24.540 1.00 21.21 C ATOM 1209 NE ARG A 751 7.714 20.556 25.073 1.00 26.63 N ATOM 1210 CZ ARG A 751 8.247 20.693 26.285 1.00 26.01 C ATOM 1211 NH1 ARG A 751 9.226 19.891 26.671 1.00 29.84 N ATOM 1212 NH2 ARG A 751 7.802 21.627 27.115 1.00 31.61 N ATOM 1213 HE ARG A 751 8.085 19.799 24.464 1.00 0.00 H ATOM 1214 HH12 ARG A 751 9.643 19.998 27.618 1.00 0.00 H ATOM 1215 HH11 ARG A 751 9.579 19.154 26.028 1.00 0.00 H ATOM 1216 HH22 ARG A 751 8.224 21.727 28.060 1.00 0.00 H ATOM 1217 HH21 ARG A 751 7.031 22.260 26.821 1.00 0.00 H ATOM 1218 H ARG A 751 4.519 18.138 26.768 1.00 0.00 H ATOM 1219 N THR A 752 1.951 18.283 23.600 1.00 13.04 N ATOM 1220 CA THR A 752 1.244 17.241 22.858 1.00 12.15 C ATOM 1221 C THR A 752 2.042 16.796 21.658 1.00 15.91 C ATOM 1222 O THR A 752 2.396 17.605 20.790 1.00 15.08 O ATOM 1223 CB THR A 752 -0.167 17.728 22.406 1.00 14.69 C ATOM 1224 OG1 THR A 752 -0.928 18.147 23.548 1.00 19.19 O ATOM 1225 CG2 THR A 752 -0.967 16.598 21.699 1.00 13.94 C ATOM 1226 HG1 THR A 752 -1.822 18.454 23.253 1.00 0.00 H ATOM 1227 H THR A 752 1.679 19.275 23.443 1.00 0.00 H ATOM 1228 N LYS A 753 2.298 15.481 21.607 1.00 8.98 N ATOM 1229 CA LYS A 753 3.154 14.897 20.578 1.00 10.40 C ATOM 1230 C LYS A 753 2.359 14.107 19.560 1.00 8.55 C ATOM 1231 O LYS A 753 2.881 13.701 18.516 1.00 8.23 O ATOM 1232 CB LYS A 753 4.211 13.999 21.211 1.00 11.58 C ATOM 1233 CG LYS A 753 5.078 14.734 22.267 1.00 9.91 C ATOM 1234 CD LYS A 753 5.734 15.960 21.670 1.00 17.53 C ATOM 1235 CE LYS A 753 6.662 16.633 22.663 1.00 20.40 C ATOM 1236 NZ LYS A 753 7.127 17.965 22.148 1.00 19.55 N ATOM 1237 HZ1 LYS A 753 7.638 17.830 21.252 1.00 0.00 H ATOM 1238 HZ2 LYS A 753 6.304 18.581 21.990 1.00 0.00 H ATOM 1239 HZ3 LYS A 753 7.760 18.404 22.847 1.00 0.00 H ATOM 1240 H LYS A 753 1.874 14.857 22.323 1.00 0.00 H ATOM 1241 N CYS A 754 1.095 13.848 19.893 1.00 10.27 N ATOM 1242 CA CYS A 754 0.147 13.169 19.003 1.00 6.52 C ATOM 1243 C CYS A 754 -1.232 13.520 19.491 1.00 7.17 C ATOM 1244 O CYS A 754 -1.480 13.525 20.695 1.00 11.19 O ATOM 1245 CB CYS A 754 0.369 11.664 19.027 1.00 9.97 C ATOM 1246 SG CYS A 754 -0.602 10.741 17.864 1.00 9.67 S ATOM 1247 H CYS A 754 0.763 14.143 20.833 1.00 0.00 H ATOM 1248 N HIS A 755 -2.118 13.857 18.578 1.00 10.03 N ATOM 1249 CA HIS A 755 -3.516 14.007 18.910 1.00 9.72 C ATOM 1250 C HIS A 755 -4.116 12.666 19.304 1.00 9.16 C ATOM 1251 O HIS A 755 -3.748 11.637 18.726 1.00 10.55 O ATOM 1252 CB HIS A 755 -4.275 14.559 17.726 1.00 10.44 C ATOM 1253 CG HIS A 755 -5.625 15.058 18.092 1.00 10.56 C ATOM 1254 ND1 HIS A 755 -5.813 16.262 18.738 1.00 15.25 N ATOM 1255 CD2 HIS A 755 -6.852 14.512 17.934 1.00 9.25 C ATOM 1256 CE1 HIS A 755 -7.105 16.439 18.948 1.00 13.92 C ATOM 1257 NE2 HIS A 755 -7.755 15.392 18.475 1.00 15.08 N ATOM 1258 H HIS A 755 -1.806 14.018 17.599 1.00 0.00 H ATOM 1259 N GLN A 756 -5.049 12.652 20.266 1.00 8.08 N ATOM 1260 CA GLN A 756 -5.730 11.399 20.583 1.00 10.44 C ATOM 1261 C GLN A 756 -6.823 11.208 19.567 1.00 12.34 C ATOM 1262 O GLN A 756 -7.904 11.756 19.707 1.00 13.27 O ATOM 1263 CB GLN A 756 -6.291 11.358 21.998 1.00 15.04 C ATOM 1264 CG GLN A 756 -6.691 9.903 22.355 1.00 11.37 C ATOM 1265 CD GLN A 756 -7.332 9.750 23.739 1.00 14.82 C ATOM 1266 OE1 GLN A 756 -6.918 10.386 24.704 1.00 20.48 O ATOM 1267 NE2 GLN A 756 -8.382 8.922 23.818 1.00 16.85 N ATOM 1268 HE22 GLN A 756 -8.699 8.402 22.975 1.00 0.00 H ATOM 1269 HE21 GLN A 756 -8.880 8.799 24.723 1.00 0.00 H ATOM 1270 H GLN A 756 -5.286 13.524 20.781 1.00 0.00 H ATOM 1271 N TYR A 757 -6.518 10.417 18.537 1.00 11.82 N ATOM 1272 CA TYR A 757 -7.398 10.243 17.396 1.00 11.16 C ATOM 1273 C TYR A 757 -8.390 9.092 17.538 1.00 11.77 C ATOM 1274 O TYR A 757 -9.072 8.762 16.577 1.00 11.99 O ATOM 1275 CB TYR A 757 -6.559 10.065 16.124 1.00 11.62 C ATOM 1276 CG TYR A 757 -5.526 8.933 16.165 1.00 9.68 C ATOM 1277 CD1 TYR A 757 -5.870 7.621 15.857 1.00 8.73 C ATOM 1278 CD2 TYR A 757 -4.212 9.193 16.510 1.00 9.37 C ATOM 1279 CE1 TYR A 757 -4.964 6.619 15.914 1.00 8.47 C ATOM 1280 CE2 TYR A 757 -3.268 8.200 16.536 1.00 7.25 C ATOM 1281 CZ TYR A 757 -3.643 6.904 16.247 1.00 8.46 C ATOM 1282 OH TYR A 757 -2.723 5.903 16.264 1.00 9.71 O ATOM 1283 HH TYR A 757 -2.013 6.097 15.602 1.00 0.00 H ATOM 1284 H TYR A 757 -5.613 9.904 18.552 1.00 0.00 H ATOM 1285 N TRP A 758 -8.422 8.490 18.722 1.00 11.00 N ATOM 1286 CA TRP A 758 -9.425 7.485 19.119 1.00 15.81 C ATOM 1287 C TRP A 758 -10.097 7.940 20.421 1.00 17.13 C ATOM 1288 O TRP A 758 -9.498 8.676 21.204 1.00 13.45 O ATOM 1289 CB TRP A 758 -8.778 6.124 19.323 1.00 16.48 C ATOM 1290 CG TRP A 758 -7.972 6.071 20.558 1.00 12.98 C ATOM 1291 CD1 TRP A 758 -8.395 5.690 21.800 1.00 12.46 C ATOM 1292 CD2 TRP A 758 -6.591 6.444 20.698 1.00 9.88 C ATOM 1293 NE1 TRP A 758 -7.351 5.776 22.701 1.00 13.10 N ATOM 1294 CE2 TRP A 758 -6.235 6.242 22.051 1.00 10.68 C ATOM 1295 CE3 TRP A 758 -5.613 6.898 19.808 1.00 12.92 C ATOM 1296 CZ2 TRP A 758 -4.955 6.487 22.536 1.00 10.39 C ATOM 1297 CZ3 TRP A 758 -4.345 7.172 20.291 1.00 13.53 C ATOM 1298 CH2 TRP A 758 -4.016 6.955 21.643 1.00 14.78 C ATOM 1299 HE1 TRP A 758 -7.402 5.528 23.710 1.00 0.00 H ATOM 1300 H TRP A 758 -7.690 8.745 19.416 1.00 0.00 H ATOM 1301 N PRO A 759 -11.328 7.478 20.670 1.00 17.87 N ATOM 1302 CA PRO A 759 -12.038 7.854 21.900 1.00 12.74 C ATOM 1303 C PRO A 759 -11.781 6.911 23.052 1.00 17.25 C ATOM 1304 O PRO A 759 -11.541 5.730 22.820 1.00 17.97 O ATOM 1305 CB PRO A 759 -13.497 7.802 21.471 1.00 20.29 C ATOM 1306 CG PRO A 759 -13.540 6.677 20.497 1.00 23.31 C ATOM 1307 CD PRO A 759 -12.189 6.697 19.761 1.00 19.03 C ATOM 1308 N ASP A 760 -11.780 7.436 24.270 1.00 18.25 N ATOM 1309 CA ASP A 760 -11.719 6.587 25.439 1.00 16.43 C ATOM 1310 C ASP A 760 -12.987 5.768 25.439 1.00 25.51 C ATOM 1311 O ASP A 760 -14.070 6.319 25.240 1.00 24.61 O ATOM 1312 CB ASP A 760 -11.627 7.396 26.720 1.00 22.42 C ATOM 1313 CG ASP A 760 -10.313 8.166 26.849 1.00 23.25 C ATOM 1314 OD1 ASP A 760 -9.255 7.727 26.339 1.00 19.49 O ATOM 1315 OD2 ASP A 760 -10.345 9.223 27.499 1.00 28.14 O ATOM 1316 H ASP A 760 -11.824 8.469 24.385 1.00 0.00 H ATOM 1317 N PRO A 761 -12.861 4.456 25.629 1.00 23.10 N ATOM 1318 CA PRO A 761 -14.094 3.679 25.729 1.00 28.08 C ATOM 1319 C PRO A 761 -14.995 4.233 26.838 1.00 25.04 C ATOM 1320 O PRO A 761 -14.486 4.671 27.873 1.00 26.69 O ATOM 1321 CB PRO A 761 -13.608 2.264 26.039 1.00 22.05 C ATOM 1322 CG PRO A 761 -12.156 2.339 26.320 1.00 23.62 C ATOM 1323 CD PRO A 761 -11.638 3.657 25.832 1.00 16.07 C ATOM 1324 N PRO A 762 -16.323 4.212 26.637 1.00 28.74 N ATOM 1325 CA PRO A 762 -17.037 3.649 25.488 1.00 29.62 C ATOM 1326 C PRO A 762 -17.462 4.690 24.455 1.00 35.98 C ATOM 1327 O PRO A 762 -18.326 4.386 23.620 1.00 35.69 O ATOM 1328 CB PRO A 762 -18.250 3.002 26.144 1.00 35.39 C ATOM 1329 CG PRO A 762 -18.532 3.872 27.330 1.00 28.01 C ATOM 1330 CD PRO A 762 -17.244 4.539 27.738 1.00 37.71 C ATOM 1331 N ASP A 763 -16.855 5.880 24.488 1.00 29.22 N ATOM 1332 CA ASP A 763 -17.321 6.983 23.655 1.00 29.96 C ATOM 1333 C ASP A 763 -17.182 6.656 22.172 1.00 31.65 C ATOM 1334 O ASP A 763 -16.400 5.788 21.799 1.00 24.67 O ATOM 1335 CB ASP A 763 -16.558 8.269 23.976 1.00 30.11 C ATOM 1336 CG ASP A 763 -16.725 8.709 25.420 1.00 41.36 C ATOM 1337 OD1 ASP A 763 -17.672 8.239 26.087 1.00 33.85 O ATOM 1338 OD2 ASP A 763 -15.900 9.526 25.886 1.00 44.56 O ATOM 1339 H ASP A 763 -16.039 6.022 25.117 1.00 0.00 H ATOM 1340 N VAL A 764 -17.961 7.354 21.350 1.00 29.51 N ATOM 1341 CA VAL A 764 -17.857 7.283 19.899 1.00 27.65 C ATOM 1342 C VAL A 764 -17.489 8.666 19.367 1.00 38.11 C ATOM 1343 O VAL A 764 -18.088 9.669 19.751 1.00 27.66 O ATOM 1344 CB VAL A 764 -19.163 6.784 19.257 1.00 29.26 C ATOM 1345 CG1 VAL A 764 -19.017 6.687 17.746 1.00 32.43 C ATOM 1346 CG2 VAL A 764 -19.536 5.421 19.834 1.00 28.40 C ATOM 1347 H VAL A 764 -18.680 7.981 21.764 1.00 0.00 H ATOM 1348 N MET A 765 -16.502 8.689 18.474 1.00 23.50 N ATOM 1349 CA MET A 765 -15.830 9.893 18.011 1.00 32.84 C ATOM 1350 C MET A 765 -16.026 9.963 16.486 1.00 26.14 C ATOM 1351 O MET A 765 -15.927 8.943 15.809 1.00 23.23 O ATOM 1352 CB MET A 765 -14.352 9.805 18.473 1.00 35.10 C ATOM 1353 CG MET A 765 -13.284 10.680 17.847 1.00 36.89 C ATOM 1354 SD MET A 765 -11.651 10.423 18.670 1.00 36.67 S ATOM 1355 CE MET A 765 -11.949 11.212 20.261 1.00 44.62 C ATOM 1356 H MET A 765 -16.189 7.780 18.079 1.00 0.00 H ATOM 1357 N ASN A 766 -16.381 11.136 15.959 1.00 27.34 N ATOM 1358 CA ASN A 766 -16.447 11.363 14.508 1.00 24.68 C ATOM 1359 C ASN A 766 -15.151 11.993 13.950 1.00 25.10 C ATOM 1360 O ASN A 766 -14.687 13.012 14.469 1.00 24.91 O ATOM 1361 CB ASN A 766 -17.623 12.276 14.163 1.00 25.99 C ATOM 1362 CG ASN A 766 -17.891 12.338 12.665 1.00 31.51 C ATOM 1363 OD1 ASN A 766 -18.528 11.447 12.097 1.00 47.71 O ATOM 1364 ND2 ASN A 766 -17.403 13.395 12.014 1.00 52.34 N ATOM 1365 HD22 ASN A 766 -16.871 14.124 12.531 1.00 0.00 H ATOM 1366 HD21 ASN A 766 -17.554 13.490 10.989 1.00 0.00 H ATOM 1367 H ASN A 766 -16.620 11.920 16.599 1.00 0.00 H ATOM 1368 N HIS A 767 -14.567 11.377 12.914 1.00 20.92 N ATOM 1369 CA HIS A 767 -13.454 11.970 12.147 1.00 24.05 C ATOM 1370 C HIS A 767 -13.685 11.839 10.651 1.00 22.87 C ATOM 1371 O HIS A 767 -13.552 10.759 10.096 1.00 21.80 O ATOM 1372 CB HIS A 767 -12.110 11.312 12.480 1.00 20.81 C ATOM 1373 CG HIS A 767 -11.640 11.589 13.863 1.00 17.47 C ATOM 1374 ND1 HIS A 767 -11.401 12.866 14.324 1.00 19.02 N ATOM 1375 CD2 HIS A 767 -11.402 10.761 14.905 1.00 17.32 C ATOM 1376 CE1 HIS A 767 -11.002 12.806 15.582 1.00 21.33 C ATOM 1377 NE2 HIS A 767 -11.001 11.540 15.959 1.00 23.52 N ATOM 1378 H HIS A 767 -14.914 10.437 12.637 1.00 0.00 H ATOM 1379 N GLY A 768 -13.951 12.958 9.993 1.00 26.99 N ATOM 1380 CA GLY A 768 -14.120 12.960 8.553 1.00 30.03 C ATOM 1381 C GLY A 768 -15.070 11.896 8.028 1.00 28.59 C ATOM 1382 O GLY A 768 -14.769 11.223 7.043 1.00 34.17 O ATOM 1383 H GLY A 768 -14.040 13.851 10.519 1.00 0.00 H ATOM 1384 N GLY A 769 -16.221 11.726 8.664 1.00 29.26 N ATOM 1385 CA GLY A 769 -17.165 10.731 8.169 1.00 35.29 C ATOM 1386 C GLY A 769 -16.757 9.291 8.449 1.00 32.48 C ATOM 1387 O GLY A 769 -17.202 8.340 7.796 1.00 23.88 O ATOM 1388 H GLY A 769 -16.447 12.295 9.505 1.00 0.00 H ATOM 1389 N PHE A 770 -15.882 9.126 9.431 1.00 18.67 N ATOM 1390 CA PHE A 770 -15.726 7.847 10.099 1.00 17.60 C ATOM 1391 C PHE A 770 -16.089 8.005 11.568 1.00 21.01 C ATOM 1392 O PHE A 770 -15.668 8.960 12.224 1.00 25.87 O ATOM 1393 CB PHE A 770 -14.305 7.324 9.956 1.00 20.80 C ATOM 1394 CG PHE A 770 -13.916 7.085 8.546 1.00 17.53 C ATOM 1395 CD1 PHE A 770 -14.384 5.979 7.870 1.00 20.73 C ATOM 1396 CD2 PHE A 770 -13.096 7.968 7.886 1.00 16.61 C ATOM 1397 CE1 PHE A 770 -14.051 5.776 6.547 1.00 17.46 C ATOM 1398 CE2 PHE A 770 -12.752 7.760 6.580 1.00 18.76 C ATOM 1399 CZ PHE A 770 -13.225 6.663 5.907 1.00 21.08 C ATOM 1400 H PHE A 770 -15.294 9.931 9.729 1.00 0.00 H ATOM 1401 N HIS A 771 -16.899 7.085 12.077 1.00 16.62 N ATOM 1402 CA HIS A 771 -17.098 6.975 13.510 1.00 24.15 C ATOM 1403 C HIS A 771 -16.066 5.957 14.025 1.00 20.74 C ATOM 1404 O HIS A 771 -15.859 4.914 13.414 1.00 21.43 O ATOM 1405 CB HIS A 771 -18.531 6.554 13.859 1.00 24.58 C ATOM 1406 CG HIS A 771 -19.556 7.643 13.682 1.00 28.61 C ATOM 1407 ND1 HIS A 771 -20.891 7.466 13.974 1.00 30.61 N ATOM 1408 CD2 HIS A 771 -19.433 8.916 13.243 1.00 29.02 C ATOM 1409 CE1 HIS A 771 -21.546 8.585 13.723 1.00 32.19 C ATOM 1410 NE2 HIS A 771 -20.684 9.481 13.278 1.00 31.28 N ATOM 1411 H HIS A 771 -17.399 6.433 11.439 1.00 0.00 H ATOM 1412 N ILE A 772 -15.413 6.293 15.130 1.00 19.43 N ATOM 1413 CA ILE A 772 -14.400 5.445 15.761 1.00 20.23 C ATOM 1414 C ILE A 772 -14.843 5.115 17.168 1.00 18.89 C ATOM 1415 O ILE A 772 -15.269 5.995 17.913 1.00 22.91 O ATOM 1416 CB ILE A 772 -12.999 6.130 15.872 1.00 20.23 C ATOM 1417 CG1 ILE A 772 -12.604 6.852 14.583 1.00 20.91 C ATOM 1418 CG2 ILE A 772 -11.957 5.091 16.291 1.00 20.17 C ATOM 1419 CD1 ILE A 772 -12.413 5.966 13.363 1.00 19.21 C ATOM 1420 H ILE A 772 -15.633 7.208 15.572 1.00 0.00 H ATOM 1421 N GLN A 773 -14.778 3.842 17.525 1.00 14.80 N ATOM 1422 CA GLN A 773 -14.996 3.432 18.902 1.00 16.39 C ATOM 1423 C GLN A 773 -13.928 2.437 19.301 1.00 14.24 C ATOM 1424 O GLN A 773 -13.483 1.598 18.504 1.00 20.04 O ATOM 1425 CB GLN A 773 -16.388 2.840 19.109 1.00 18.56 C ATOM 1426 CG GLN A 773 -16.899 2.079 17.958 1.00 29.09 C ATOM 1427 CD GLN A 773 -18.382 1.807 18.082 1.00 44.38 C ATOM 1428 OE1 GLN A 773 -19.103 1.837 17.086 1.00 42.69 O ATOM 1429 NE2 GLN A 773 -18.846 1.553 19.306 1.00 28.17 N ATOM 1430 HE22 GLN A 773 -18.195 1.539 20.117 1.00 0.00 H ATOM 1431 HE21 GLN A 773 -19.859 1.369 19.450 1.00 0.00 H ATOM 1432 H GLN A 773 -14.567 3.121 16.806 1.00 0.00 H ATOM 1433 N CYS A 774 -13.530 2.527 20.555 1.00 19.82 N ATOM 1434 CA CYS A 774 -12.570 1.599 21.121 1.00 14.54 C ATOM 1435 C CYS A 774 -13.369 0.546 21.885 1.00 17.53 C ATOM 1436 O CYS A 774 -14.064 0.880 22.845 1.00 18.92 O ATOM 1437 CB CYS A 774 -11.589 2.351 22.009 1.00 21.28 C ATOM 1438 SG CYS A 774 -10.417 1.306 22.788 1.00 24.74 S ATOM 1439 H CYS A 774 -13.915 3.284 21.155 1.00 0.00 H ATOM 1440 N GLN A 775 -13.273 -0.703 21.425 1.00 17.58 N ATOM 1441 CA GLN A 775 -14.125 -1.806 21.900 1.00 17.24 C ATOM 1442 C GLN A 775 -13.482 -2.577 23.032 1.00 25.06 C ATOM 1443 O GLN A 775 -14.149 -3.262 23.831 1.00 25.98 O ATOM 1444 CB GLN A 775 -14.439 -2.752 20.742 1.00 24.35 C ATOM 1445 CG GLN A 775 -14.875 -2.028 19.485 1.00 24.30 C ATOM 1446 CD GLN A 775 -15.773 -2.843 18.585 1.00 33.21 C ATOM 1447 OE1 GLN A 775 -15.308 -3.488 17.644 1.00 41.17 O ATOM 1448 NE2 GLN A 775 -17.075 -2.796 18.848 1.00 43.81 N ATOM 1449 HE22 GLN A 775 -17.423 -2.238 19.654 1.00 0.00 H ATOM 1450 HE21 GLN A 775 -17.746 -3.317 18.248 1.00 0.00 H ATOM 1451 H GLN A 775 -12.561 -0.907 20.695 1.00 0.00 H ATOM 1452 N SER A 776 -12.169 -2.476 23.082 1.00 17.25 N ATOM 1453 CA SER A 776 -11.364 -3.157 24.059 1.00 20.97 C ATOM 1454 C SER A 776 -10.112 -2.325 24.293 1.00 14.07 C ATOM 1455 O SER A 776 -9.561 -1.753 23.342 1.00 17.45 O ATOM 1456 CB SER A 776 -11.012 -4.567 23.560 1.00 19.87 C ATOM 1457 OG SER A 776 -10.337 -5.284 24.549 1.00 31.24 O ATOM 1458 HG SER A 776 -9.501 -4.809 24.787 1.00 0.00 H ATOM 1459 H SER A 776 -11.692 -1.874 22.380 1.00 0.00 H ATOM 1460 N GLU A 777 -9.683 -2.255 25.545 1.00 18.23 N ATOM 1461 CA GLU A 777 -8.472 -1.551 25.918 1.00 17.15 C ATOM 1462 C GLU A 777 -7.814 -2.282 27.078 1.00 22.26 C ATOM 1463 O GLU A 777 -8.421 -2.450 28.133 1.00 22.90 O ATOM 1464 CB GLU A 777 -8.814 -0.101 26.287 1.00 16.85 C ATOM 1465 CG GLU A 777 -7.690 0.742 26.807 1.00 18.40 C ATOM 1466 CD GLU A 777 -8.137 2.185 27.033 1.00 26.83 C ATOM 1467 OE1 GLU A 777 -8.375 2.561 28.201 1.00 25.65 O ATOM 1468 OE2 GLU A 777 -8.266 2.931 26.045 1.00 23.70 O ATOM 1469 H GLU A 777 -10.237 -2.724 26.290 1.00 0.00 H ATOM 1470 N ASP A 778 -6.586 -2.731 26.867 1.00 12.12 N ATOM 1471 CA ASP A 778 -5.853 -3.505 27.860 1.00 16.17 C ATOM 1472 C ASP A 778 -4.399 -3.090 27.902 1.00 21.79 C ATOM 1473 O ASP A 778 -3.703 -3.086 26.885 1.00 16.91 O ATOM 1474 CB ASP A 778 -5.919 -5.005 27.566 1.00 15.85 C ATOM 1475 CG ASP A 778 -7.326 -5.563 27.668 1.00 23.92 C ATOM 1476 OD1 ASP A 778 -7.824 -5.729 28.803 1.00 23.98 O ATOM 1477 OD2 ASP A 778 -7.925 -5.817 26.614 1.00 18.70 O ATOM 1478 H ASP A 778 -6.127 -2.523 25.957 1.00 0.00 H ATOM 1479 N CYS A 779 -3.917 -2.840 29.106 1.00 20.38 N ATOM 1480 CA CYS A 779 -2.559 -2.381 29.296 1.00 21.04 C ATOM 1481 C CYS A 779 -1.656 -3.520 29.734 1.00 20.44 C ATOM 1482 O CYS A 779 -2.004 -4.270 30.647 1.00 23.58 O ATOM 1483 CB CYS A 779 -2.533 -1.264 30.336 1.00 19.49 C ATOM 1484 SG CYS A 779 -3.483 0.211 29.911 1.00 28.44 S ATOM 1485 H CYS A 779 -4.528 -2.976 29.936 1.00 0.00 H ATOM 1486 N THR A 780 -0.509 -3.640 29.083 1.00 19.33 N ATOM 1487 CA THR A 780 0.539 -4.522 29.527 1.00 16.27 C ATOM 1488 C THR A 780 1.561 -3.622 30.156 1.00 25.83 C ATOM 1489 O THR A 780 1.277 -2.464 30.427 1.00 34.71 O ATOM 1490 CB THR A 780 1.156 -5.341 28.389 1.00 20.07 C ATOM 1491 OG1 THR A 780 1.947 -4.484 27.560 1.00 18.35 O ATOM 1492 CG2 THR A 780 0.086 -5.993 27.557 1.00 19.78 C ATOM 1493 HG1 THR A 780 1.373 -3.772 27.181 1.00 0.00 H ATOM 1494 H THR A 780 -0.360 -3.078 28.221 1.00 0.00 H ATOM 1495 N ILE A 781 2.759 -4.121 30.365 1.00 22.66 N ATOM 1496 CA ILE A 781 3.819 -3.284 30.906 1.00 35.81 C ATOM 1497 C ILE A 781 4.104 -2.072 29.968 1.00 19.79 C ATOM 1498 O ILE A 781 3.836 -0.900 30.269 1.00 33.16 O ATOM 1499 CB ILE A 781 5.134 -4.105 31.104 1.00 35.12 C ATOM 1500 CG1 ILE A 781 4.878 -5.581 31.519 1.00 47.43 C ATOM 1501 CG2 ILE A 781 6.054 -3.383 32.091 1.00 36.83 C ATOM 1502 CD1 ILE A 781 4.071 -5.807 32.814 1.00 29.14 C ATOM 1503 H ILE A 781 2.950 -5.119 30.143 1.00 0.00 H ATOM 1504 N ALA A 782 4.579 -2.424 28.790 1.00 21.44 N ATOM 1505 CA ALA A 782 5.268 -1.513 27.906 1.00 13.03 C ATOM 1506 C ALA A 782 4.318 -0.909 26.878 1.00 14.01 C ATOM 1507 O ALA A 782 4.653 0.074 26.222 1.00 14.01 O ATOM 1508 CB ALA A 782 6.365 -2.232 27.217 1.00 15.75 C ATOM 1509 H ALA A 782 4.451 -3.409 28.481 1.00 0.00 H ATOM 1510 N TYR A 783 3.159 -1.509 26.698 1.00 12.02 N ATOM 1511 CA TYR A 783 2.223 -1.033 25.670 1.00 9.51 C ATOM 1512 C TYR A 783 0.769 -1.278 26.016 1.00 16.00 C ATOM 1513 O TYR A 783 0.428 -2.066 26.922 1.00 18.44 O ATOM 1514 CB TYR A 783 2.548 -1.675 24.314 1.00 11.92 C ATOM 1515 CG TYR A 783 2.265 -3.156 24.216 1.00 10.95 C ATOM 1516 CD1 TYR A 783 3.203 -4.096 24.621 1.00 13.57 C ATOM 1517 CD2 TYR A 783 1.070 -3.614 23.702 1.00 10.04 C ATOM 1518 CE1 TYR A 783 2.927 -5.488 24.534 1.00 13.32 C ATOM 1519 CE2 TYR A 783 0.795 -4.977 23.602 1.00 12.57 C ATOM 1520 CZ TYR A 783 1.721 -5.893 24.023 1.00 19.02 C ATOM 1521 OH TYR A 783 1.426 -7.230 23.910 1.00 17.47 O ATOM 1522 HH TYR A 783 2.186 -7.764 24.253 1.00 0.00 H ATOM 1523 H TYR A 783 2.904 -2.326 27.288 1.00 0.00 H ATOM 1524 N VAL A 784 -0.088 -0.633 25.246 1.00 10.47 N ATOM 1525 CA VAL A 784 -1.528 -0.715 25.408 1.00 11.06 C ATOM 1526 C VAL A 784 -2.093 -1.330 24.129 1.00 12.26 C ATOM 1527 O VAL A 784 -1.723 -0.897 23.024 1.00 11.59 O ATOM 1528 CB VAL A 784 -2.195 0.662 25.659 1.00 14.91 C ATOM 1529 CG1 VAL A 784 -3.646 0.483 26.002 1.00 17.53 C ATOM 1530 CG2 VAL A 784 -1.493 1.423 26.767 1.00 13.25 C ATOM 1531 H VAL A 784 0.289 -0.035 24.483 1.00 0.00 H ATOM 1532 N SER A 785 -2.960 -2.343 24.265 1.00 14.18 N ATOM 1533 CA SER A 785 -3.567 -2.992 23.108 1.00 10.09 C ATOM 1534 C SER A 785 -5.038 -2.617 23.081 1.00 14.39 C ATOM 1535 O SER A 785 -5.757 -2.804 24.063 1.00 13.05 O ATOM 1536 CB SER A 785 -3.380 -4.512 23.162 1.00 13.47 C ATOM 1537 OG SER A 785 -4.184 -5.139 22.164 1.00 11.85 O ATOM 1538 HG SER A 785 -4.056 -6.120 22.207 1.00 0.00 H ATOM 1539 H SER A 785 -3.206 -2.675 25.219 1.00 0.00 H ATOM 1540 N ARG A 786 -5.458 -2.053 21.960 1.00 10.01 N ATOM 1541 CA ARG A 786 -6.817 -1.582 21.775 1.00 12.55 C ATOM 1542 C ARG A 786 -7.358 -2.197 20.504 1.00 13.16 C ATOM 1543 O ARG A 786 -6.626 -2.429 19.528 1.00 14.34 O ATOM 1544 CB ARG A 786 -6.896 -0.060 21.686 1.00 9.79 C ATOM 1545 CG ARG A 786 -6.539 0.644 22.976 1.00 8.68 C ATOM 1546 CD ARG A 786 -6.470 2.107 22.758 1.00 12.49 C ATOM 1547 NE ARG A 786 -6.306 2.890 23.969 1.00 13.45 N ATOM 1548 CZ ARG A 786 -5.159 3.457 24.359 1.00 12.68 C ATOM 1549 NH1 ARG A 786 -5.131 4.209 25.454 1.00 13.66 N ATOM 1550 NH2 ARG A 786 -4.031 3.224 23.689 1.00 10.47 N ATOM 1551 HE ARG A 786 -7.140 3.019 24.577 1.00 0.00 H ATOM 1552 HH12 ARG A 786 -4.240 4.651 25.759 1.00 0.00 H ATOM 1553 HH11 ARG A 786 -6.000 4.356 26.006 1.00 0.00 H ATOM 1554 HH22 ARG A 786 -3.142 3.668 23.997 1.00 0.00 H ATOM 1555 HH21 ARG A 786 -4.039 2.599 22.858 1.00 0.00 H ATOM 1556 H ARG A 786 -4.783 -1.943 21.176 1.00 0.00 H ATOM 1557 N GLU A 787 -8.643 -2.512 20.541 1.00 15.23 N ATOM 1558 CA GLU A 787 -9.333 -2.970 19.355 1.00 11.14 C ATOM 1559 C GLU A 787 -10.307 -1.904 19.017 1.00 13.78 C ATOM 1560 O GLU A 787 -11.043 -1.463 19.890 1.00 13.02 O ATOM 1561 CB GLU A 787 -10.044 -4.292 19.590 1.00 13.64 C ATOM 1562 CG GLU A 787 -9.147 -5.439 20.023 1.00 15.62 C ATOM 1563 CD GLU A 787 -8.020 -5.818 19.031 1.00 15.46 C ATOM 1564 OE1 GLU A 787 -8.183 -5.675 17.796 1.00 17.18 O ATOM 1565 OE2 GLU A 787 -6.957 -6.284 19.506 1.00 18.47 O ATOM 1566 H GLU A 787 -9.165 -2.429 21.437 1.00 0.00 H ATOM 1567 N MET A 788 -10.265 -1.427 17.803 1.00 12.77 N ATOM 1568 CA MET A 788 -11.057 -0.319 17.395 1.00 13.26 C ATOM 1569 C MET A 788 -12.000 -0.712 16.261 1.00 13.04 C ATOM 1570 O MET A 788 -11.674 -1.503 15.461 1.00 17.32 O ATOM 1571 CB MET A 788 -10.170 0.872 16.977 1.00 13.08 C ATOM 1572 CG MET A 788 -9.387 1.514 18.151 1.00 27.05 C ATOM 1573 SD MET A 788 -8.242 2.714 17.557 1.00 36.61 S ATOM 1574 CE MET A 788 -7.593 3.100 19.182 1.00 2.82 C ATOM 1575 H MET A 788 -9.630 -1.873 17.110 1.00 0.00 H ATOM 1576 N LEU A 789 -13.181 -0.114 16.259 1.00 16.11 N ATOM 1577 CA LEU A 789 -14.159 -0.298 15.222 1.00 18.77 C ATOM 1578 C LEU A 789 -14.285 0.979 14.463 1.00 17.97 C ATOM 1579 O LEU A 789 -14.564 2.023 15.054 1.00 19.01 O ATOM 1580 CB LEU A 789 -15.508 -0.678 15.797 1.00 17.94 C ATOM 1581 CG LEU A 789 -16.603 -0.958 14.763 1.00 23.24 C ATOM 1582 CD1 LEU A 789 -16.231 -2.183 13.929 1.00 26.43 C ATOM 1583 CD2 LEU A 789 -17.945 -1.158 15.474 1.00 28.01 C ATOM 1584 H LEU A 789 -13.413 0.522 17.049 1.00 0.00 H ATOM 1585 N VAL A 790 -14.100 0.876 13.153 1.00 17.02 N ATOM 1586 CA VAL A 790 -14.190 2.002 12.252 1.00 19.60 C ATOM 1587 C VAL A 790 -15.433 1.813 11.397 1.00 21.40 C ATOM 1588 O VAL A 790 -15.567 0.840 10.691 1.00 20.13 O ATOM 1589 CB VAL A 790 -12.940 2.113 11.370 1.00 22.29 C ATOM 1590 CG1 VAL A 790 -13.018 3.331 10.456 1.00 19.79 C ATOM 1591 CG2 VAL A 790 -11.689 2.154 12.242 1.00 18.59 C ATOM 1592 H VAL A 790 -13.880 -0.060 12.756 1.00 0.00 H ATOM 1593 N THR A 791 -16.342 2.769 11.480 1.00 19.07 N ATOM 1594 CA THR A 791 -17.569 2.736 10.724 1.00 26.04 C ATOM 1595 C THR A 791 -17.576 3.835 9.688 1.00 25.00 C ATOM 1596 O THR A 791 -17.311 4.995 9.988 1.00 23.19 O ATOM 1597 CB THR A 791 -18.750 2.894 11.648 1.00 27.19 C ATOM 1598 OG1 THR A 791 -18.890 1.694 12.418 1.00 29.25 O ATOM 1599 CG2 THR A 791 -20.037 3.188 10.859 1.00 34.37 C ATOM 1600 HG1 THR A 791 -18.066 1.544 12.946 1.00 0.00 H ATOM 1601 H THR A 791 -16.166 3.574 12.114 1.00 0.00 H ATOM 1602 N ASN A 792 -17.902 3.460 8.461 1.00 22.41 N ATOM 1603 CA ASN A 792 -18.011 4.416 7.384 1.00 25.23 C ATOM 1604 C ASN A 792 -19.395 5.010 7.443 1.00 28.23 C ATOM 1605 O ASN A 792 -20.364 4.292 7.237 1.00 25.47 O ATOM 1606 CB ASN A 792 -17.769 3.739 6.045 1.00 22.21 C ATOM 1607 CG ASN A 792 -17.708 4.715 4.908 1.00 31.29 C ATOM 1608 OD1 ASN A 792 -18.548 5.597 4.800 1.00 30.62 O ATOM 1609 ND2 ASN A 792 -16.718 4.554 4.038 1.00 28.99 N ATOM 1610 HD22 ASN A 792 -16.027 3.788 4.172 1.00 0.00 H ATOM 1611 HD21 ASN A 792 -16.634 5.193 3.222 1.00 0.00 H ATOM 1612 H ASN A 792 -18.084 2.454 8.268 1.00 0.00 H ATOM 1613 N THR A 793 -19.500 6.300 7.748 1.00 22.64 N ATOM 1614 CA THR A 793 -20.813 6.895 7.922 1.00 25.78 C ATOM 1615 C THR A 793 -21.547 6.973 6.577 1.00 20.42 C ATOM 1616 O THR A 793 -22.757 6.833 6.536 1.00 21.27 O ATOM 1617 CB THR A 793 -20.721 8.283 8.564 1.00 25.81 C ATOM 1618 OG1 THR A 793 -20.102 9.208 7.659 1.00 43.65 O ATOM 1619 CG2 THR A 793 -19.916 8.215 9.852 1.00 23.14 C ATOM 1620 HG1 THR A 793 -19.190 8.892 7.438 1.00 0.00 H ATOM 1621 H THR A 793 -18.645 6.881 7.862 1.00 0.00 H ATOM 1622 N GLN A 794 -20.807 7.147 5.483 1.00 26.63 N ATOM 1623 CA GLN A 794 -21.418 7.276 4.147 1.00 24.59 C ATOM 1624 C GLN A 794 -22.105 5.974 3.726 1.00 35.27 C ATOM 1625 O GLN A 794 -23.184 6.001 3.145 1.00 27.44 O ATOM 1626 CB GLN A 794 -20.356 7.679 3.098 1.00 34.33 C ATOM 1627 CG GLN A 794 -20.880 7.793 1.646 1.00 34.32 C ATOM 1628 CD GLN A 794 -19.772 8.042 0.618 1.00 43.86 C ATOM 1629 OE1 GLN A 794 -18.695 8.554 0.942 1.00 31.93 O ATOM 1630 NE2 GLN A 794 -20.037 7.668 -0.632 1.00 38.17 N ATOM 1631 HE22 GLN A 794 -20.957 7.241 -0.863 1.00 0.00 H ATOM 1632 HE21 GLN A 794 -19.324 7.803 -1.377 1.00 0.00 H ATOM 1633 H GLN A 794 -19.772 7.193 5.573 1.00 0.00 H ATOM 1634 N THR A 795 -21.498 4.835 4.056 1.00 27.24 N ATOM 1635 CA THR A 795 -21.907 3.553 3.462 1.00 29.76 C ATOM 1636 C THR A 795 -22.504 2.568 4.460 1.00 23.20 C ATOM 1637 O THR A 795 -23.168 1.602 4.075 1.00 24.15 O ATOM 1638 CB THR A 795 -20.712 2.857 2.785 1.00 26.57 C ATOM 1639 OG1 THR A 795 -19.743 2.494 3.778 1.00 34.40 O ATOM 1640 CG2 THR A 795 -20.062 3.761 1.748 1.00 33.26 C ATOM 1641 HG1 THR A 795 -18.976 2.047 3.341 1.00 0.00 H ATOM 1642 H THR A 795 -20.720 4.853 4.746 1.00 0.00 H ATOM 1643 N GLY A 796 -22.259 2.798 5.743 1.00 23.11 N ATOM 1644 CA GLY A 796 -22.654 1.864 6.781 1.00 22.08 C ATOM 1645 C GLY A 796 -21.710 0.687 7.017 1.00 29.33 C ATOM 1646 O GLY A 796 -21.937 -0.128 7.908 1.00 28.68 O ATOM 1647 H GLY A 796 -21.769 3.674 6.013 1.00 0.00 H ATOM 1648 N GLU A 797 -20.650 0.602 6.226 1.00 20.67 N ATOM 1649 CA GLU A 797 -19.645 -0.457 6.378 1.00 25.59 C ATOM 1650 C GLU A 797 -18.766 -0.276 7.618 1.00 27.33 C ATOM 1651 O GLU A 797 -18.488 0.855 8.028 1.00 26.71 O ATOM 1652 CB GLU A 797 -18.737 -0.515 5.158 1.00 22.05 C ATOM 1653 CG GLU A 797 -19.422 -0.689 3.826 1.00 26.53 C ATOM 1654 CD GLU A 797 -18.505 -0.329 2.666 1.00 35.18 C ATOM 1655 OE1 GLU A 797 -17.986 0.811 2.627 1.00 35.08 O ATOM 1656 OE2 GLU A 797 -18.285 -1.197 1.796 1.00 46.43 O ATOM 1657 H GLU A 797 -20.526 1.309 5.473 1.00 0.00 H ATOM 1658 N GLU A 798 -18.318 -1.409 8.164 1.00 21.32 N ATOM 1659 CA GLU A 798 -17.483 -1.489 9.367 1.00 23.93 C ATOM 1660 C GLU A 798 -16.146 -2.165 9.081 1.00 21.66 C ATOM 1661 O GLU A 798 -16.068 -3.062 8.257 1.00 20.10 O ATOM 1662 CB GLU A 798 -18.177 -2.286 10.472 1.00 32.45 C ATOM 1663 CG GLU A 798 -19.624 -1.910 10.713 1.00 39.82 C ATOM 1664 CD GLU A 798 -20.249 -2.666 11.878 1.00 32.96 C ATOM 1665 OE1 GLU A 798 -19.629 -3.615 12.415 1.00 35.69 O ATOM 1666 OE2 GLU A 798 -21.382 -2.303 12.254 1.00 47.56 O ATOM 1667 H GLU A 798 -18.581 -2.302 7.701 1.00 0.00 H ATOM 1668 N HIS A 799 -15.115 -1.748 9.809 1.00 20.38 N ATOM 1669 CA HIS A 799 -13.763 -2.332 9.694 1.00 18.84 C ATOM 1670 C HIS A 799 -13.113 -2.352 11.081 1.00 20.40 C ATOM 1671 O HIS A 799 -13.203 -1.375 11.823 1.00 19.48 O ATOM 1672 CB HIS A 799 -12.927 -1.513 8.693 1.00 18.89 C ATOM 1673 CG HIS A 799 -11.459 -1.831 8.683 1.00 22.90 C ATOM 1674 ND1 HIS A 799 -10.953 -3.045 8.255 1.00 21.38 N ATOM 1675 CD2 HIS A 799 -10.388 -1.076 9.022 1.00 21.73 C ATOM 1676 CE1 HIS A 799 -9.633 -3.025 8.355 1.00 17.19 C ATOM 1677 NE2 HIS A 799 -9.264 -1.841 8.811 1.00 18.58 N ATOM 1678 H HIS A 799 -15.267 -0.976 10.490 1.00 0.00 H ATOM 1679 N THR A 800 -12.459 -3.459 11.433 1.00 14.91 N ATOM 1680 CA THR A 800 -11.838 -3.581 12.749 1.00 16.43 C ATOM 1681 C THR A 800 -10.326 -3.418 12.595 1.00 13.94 C ATOM 1682 O THR A 800 -9.718 -3.908 11.637 1.00 20.05 O ATOM 1683 CB THR A 800 -12.188 -4.921 13.431 1.00 22.16 C ATOM 1684 OG1 THR A 800 -13.584 -4.927 13.756 1.00 26.37 O ATOM 1685 CG2 THR A 800 -11.410 -5.091 14.736 1.00 33.37 C ATOM 1686 HG1 THR A 800 -13.816 -5.784 14.194 1.00 0.00 H ATOM 1687 H THR A 800 -12.390 -4.248 10.760 1.00 0.00 H ATOM 1688 N VAL A 801 -9.734 -2.729 13.562 1.00 13.13 N ATOM 1689 CA VAL A 801 -8.300 -2.429 13.546 1.00 10.14 C ATOM 1690 C VAL A 801 -7.738 -2.699 14.910 1.00 13.40 C ATOM 1691 O VAL A 801 -8.268 -2.258 15.911 1.00 17.93 O ATOM 1692 CB VAL A 801 -7.996 -0.950 13.180 1.00 14.82 C ATOM 1693 CG1 VAL A 801 -6.477 -0.730 13.056 1.00 17.12 C ATOM 1694 CG2 VAL A 801 -8.714 -0.514 11.936 1.00 22.07 C ATOM 1695 H VAL A 801 -10.308 -2.390 14.360 1.00 0.00 H ATOM 1696 N THR A 802 -6.605 -3.372 14.934 1.00 10.74 N ATOM 1697 CA THR A 802 -5.847 -3.553 16.147 1.00 12.25 C ATOM 1698 C THR A 802 -4.876 -2.400 16.249 1.00 13.94 C ATOM 1699 O THR A 802 -4.253 -2.047 15.270 1.00 12.01 O ATOM 1700 CB THR A 802 -5.113 -4.872 16.141 1.00 11.21 C ATOM 1701 OG1 THR A 802 -6.078 -5.946 16.083 1.00 14.49 O ATOM 1702 CG2 THR A 802 -4.222 -5.022 17.360 1.00 12.61 C ATOM 1703 HG1 THR A 802 -6.672 -5.897 16.873 1.00 0.00 H ATOM 1704 H THR A 802 -6.246 -3.786 14.050 1.00 0.00 H ATOM 1705 N HIS A 803 -4.792 -1.823 17.435 1.00 9.02 N ATOM 1706 CA HIS A 803 -3.996 -0.646 17.704 1.00 9.45 C ATOM 1707 C HIS A 803 -3.089 -0.923 18.894 1.00 10.79 C ATOM 1708 O HIS A 803 -3.572 -1.151 20.002 1.00 10.84 O ATOM 1709 CB HIS A 803 -4.943 0.529 17.957 1.00 10.29 C ATOM 1710 CG HIS A 803 -4.272 1.832 18.193 1.00 8.22 C ATOM 1711 ND1 HIS A 803 -3.802 2.213 19.423 1.00 9.34 N ATOM 1712 CD2 HIS A 803 -4.030 2.861 17.354 1.00 8.18 C ATOM 1713 CE1 HIS A 803 -3.286 3.426 19.332 1.00 11.36 C ATOM 1714 NE2 HIS A 803 -3.403 3.830 18.081 1.00 9.45 N ATOM 1715 H HIS A 803 -5.330 -2.240 18.221 1.00 0.00 H ATOM 1716 N LEU A 804 -1.782 -0.844 18.671 1.00 8.10 N ATOM 1717 CA LEU A 804 -0.794 -1.099 19.712 1.00 7.01 C ATOM 1718 C LEU A 804 -0.045 0.200 19.980 1.00 10.90 C ATOM 1719 O LEU A 804 0.598 0.733 19.056 1.00 10.76 O ATOM 1720 CB LEU A 804 0.181 -2.192 19.299 1.00 8.17 C ATOM 1721 CG LEU A 804 -0.414 -3.542 18.884 1.00 9.36 C ATOM 1722 CD1 LEU A 804 0.698 -4.466 18.438 1.00 11.31 C ATOM 1723 CD2 LEU A 804 -1.195 -4.134 20.028 1.00 12.62 C ATOM 1724 H LEU A 804 -1.451 -0.591 17.718 1.00 0.00 H ATOM 1725 N GLN A 805 -0.150 0.708 21.213 1.00 6.71 N ATOM 1726 CA GLN A 805 0.545 1.915 21.617 1.00 7.88 C ATOM 1727 C GLN A 805 1.677 1.600 22.577 1.00 11.77 C ATOM 1728 O GLN A 805 1.456 1.264 23.728 1.00 11.79 O ATOM 1729 CB GLN A 805 -0.411 2.906 22.270 1.00 7.01 C ATOM 1730 CG GLN A 805 0.215 4.256 22.516 1.00 9.30 C ATOM 1731 CD GLN A 805 -0.517 5.118 23.506 1.00 10.41 C ATOM 1732 OE1 GLN A 805 -1.496 4.740 24.116 1.00 13.28 O ATOM 1733 NE2 GLN A 805 0.019 6.327 23.706 1.00 8.70 N ATOM 1734 HE22 GLN A 805 0.858 6.619 23.166 1.00 0.00 H ATOM 1735 HE21 GLN A 805 -0.404 6.975 24.401 1.00 0.00 H ATOM 1736 H GLN A 805 -0.752 0.220 21.907 1.00 0.00 H ATOM 1737 N TYR A 806 2.892 1.727 22.085 1.00 11.01 N ATOM 1738 CA TYR A 806 4.081 1.447 22.876 1.00 8.21 C ATOM 1739 C TYR A 806 4.366 2.718 23.648 1.00 12.93 C ATOM 1740 O TYR A 806 4.697 3.730 23.033 1.00 12.30 O ATOM 1741 CB TYR A 806 5.258 1.052 21.998 1.00 11.88 C ATOM 1742 CG TYR A 806 6.304 0.289 22.730 1.00 8.76 C ATOM 1743 CD1 TYR A 806 7.316 0.937 23.374 1.00 9.24 C ATOM 1744 CD2 TYR A 806 6.291 -1.093 22.766 1.00 9.84 C ATOM 1745 CE1 TYR A 806 8.292 0.252 24.052 1.00 9.68 C ATOM 1746 CE2 TYR A 806 7.295 -1.796 23.443 1.00 11.84 C ATOM 1747 CZ TYR A 806 8.273 -1.106 24.102 1.00 13.45 C ATOM 1748 OH TYR A 806 9.289 -1.747 24.770 1.00 15.30 O ATOM 1749 HH TYR A 806 9.890 -1.074 25.178 1.00 0.00 H ATOM 1750 H TYR A 806 3.005 2.038 21.099 1.00 0.00 H ATOM 1751 N VAL A 807 4.240 2.679 24.979 1.00 11.90 N ATOM 1752 CA VAL A 807 4.345 3.910 25.787 1.00 13.10 C ATOM 1753 C VAL A 807 5.669 4.044 26.540 1.00 12.66 C ATOM 1754 O VAL A 807 5.919 5.070 27.216 1.00 13.80 O ATOM 1755 CB VAL A 807 3.220 3.989 26.822 1.00 13.04 C ATOM 1756 CG1 VAL A 807 1.875 4.052 26.132 1.00 11.56 C ATOM 1757 CG2 VAL A 807 3.321 2.813 27.779 1.00 13.69 C ATOM 1758 H VAL A 807 4.066 1.769 25.451 1.00 0.00 H ATOM 1759 N ALA A 808 6.556 3.066 26.386 1.00 10.63 N ATOM 1760 CA ALA A 808 7.813 3.056 27.157 1.00 12.32 C ATOM 1761 C ALA A 808 9.006 3.279 26.238 1.00 12.22 C ATOM 1762 O ALA A 808 9.960 2.493 26.209 1.00 11.77 O ATOM 1763 CB ALA A 808 7.953 1.752 27.927 1.00 11.97 C ATOM 1764 H ALA A 808 6.361 2.298 25.713 1.00 0.00 H ATOM 1765 N TRP A 809 8.902 4.353 25.462 1.00 10.59 N ATOM 1766 CA TRP A 809 9.914 4.692 24.467 1.00 10.89 C ATOM 1767 C TRP A 809 9.852 6.177 24.127 1.00 9.95 C ATOM 1768 O TRP A 809 9.107 6.589 23.263 1.00 10.72 O ATOM 1769 CB TRP A 809 9.718 3.841 23.210 1.00 13.52 C ATOM 1770 CG TRP A 809 10.836 3.858 22.240 1.00 10.13 C ATOM 1771 CD1 TRP A 809 11.968 4.638 22.266 1.00 9.46 C ATOM 1772 CD2 TRP A 809 10.923 3.075 21.064 1.00 10.33 C ATOM 1773 NE1 TRP A 809 12.748 4.354 21.182 1.00 11.12 N ATOM 1774 CE2 TRP A 809 12.117 3.419 20.412 1.00 8.72 C ATOM 1775 CE3 TRP A 809 10.095 2.119 20.490 1.00 10.74 C ATOM 1776 CZ2 TRP A 809 12.520 2.808 19.238 1.00 8.26 C ATOM 1777 CZ3 TRP A 809 10.481 1.521 19.314 1.00 12.23 C ATOM 1778 CH2 TRP A 809 11.667 1.878 18.688 1.00 9.71 C ATOM 1779 HE1 TRP A 809 13.674 4.781 20.976 1.00 0.00 H ATOM 1780 H TRP A 809 8.073 4.972 25.567 1.00 0.00 H ATOM 1781 N PRO A 810 10.663 6.978 24.817 1.00 11.23 N ATOM 1782 CA PRO A 810 10.600 8.425 24.625 1.00 11.66 C ATOM 1783 C PRO A 810 11.231 8.852 23.314 1.00 9.34 C ATOM 1784 O PRO A 810 12.085 8.156 22.773 1.00 12.34 O ATOM 1785 CB PRO A 810 11.393 8.955 25.810 1.00 18.42 C ATOM 1786 CG PRO A 810 12.376 7.928 26.064 1.00 18.82 C ATOM 1787 CD PRO A 810 11.680 6.601 25.807 1.00 17.59 C ATOM 1788 N ALA A 811 10.728 9.957 22.792 1.00 9.54 N ATOM 1789 CA ALA A 811 11.256 10.530 21.578 1.00 11.17 C ATOM 1790 C ALA A 811 12.775 10.724 21.683 1.00 11.80 C ATOM 1791 O ALA A 811 13.293 11.037 22.745 1.00 14.00 O ATOM 1792 CB ALA A 811 10.560 11.816 21.300 1.00 13.51 C ATOM 1793 H ALA A 811 9.931 10.425 23.269 1.00 0.00 H ATOM 1794 N HIS A 812 13.464 10.502 20.563 1.00 12.81 N ATOM 1795 CA HIS A 812 14.907 10.725 20.408 1.00 11.82 C ATOM 1796 C HIS A 812 15.721 9.796 21.272 1.00 15.83 C ATOM 1797 O HIS A 812 16.927 9.975 21.400 1.00 14.01 O ATOM 1798 CB HIS A 812 15.299 12.173 20.726 1.00 12.83 C ATOM 1799 CG HIS A 812 14.241 13.168 20.400 1.00 14.15 C ATOM 1800 ND1 HIS A 812 13.809 13.395 19.114 1.00 16.03 N ATOM 1801 CD2 HIS A 812 13.482 13.947 21.198 1.00 13.89 C ATOM 1802 CE1 HIS A 812 12.837 14.291 19.131 1.00 14.24 C ATOM 1803 NE2 HIS A 812 12.620 14.645 20.382 1.00 13.00 N ATOM 1804 H HIS A 812 12.941 10.145 19.738 1.00 0.00 H ATOM 1805 N GLY A 813 15.078 8.773 21.834 1.00 12.65 N ATOM 1806 CA GLY A 813 15.772 7.826 22.689 1.00 14.70 C ATOM 1807 C GLY A 813 15.611 6.379 22.288 1.00 16.58 C ATOM 1808 O GLY A 813 15.058 6.023 21.240 1.00 11.74 O ATOM 1809 H GLY A 813 14.061 8.650 21.657 1.00 0.00 H ATOM 1810 N VAL A 814 16.135 5.509 23.149 1.00 13.18 N ATOM 1811 CA VAL A 814 16.020 4.081 22.967 1.00 9.51 C ATOM 1812 C VAL A 814 14.855 3.561 23.818 1.00 11.97 C ATOM 1813 O VAL A 814 14.414 4.232 24.732 1.00 13.18 O ATOM 1814 CB VAL A 814 17.325 3.361 23.340 1.00 14.91 C ATOM 1815 CG1 VAL A 814 18.520 3.836 22.452 1.00 13.30 C ATOM 1816 CG2 VAL A 814 17.657 3.575 24.795 1.00 13.87 C ATOM 1817 H VAL A 814 16.644 5.870 23.981 1.00 0.00 H ATOM 1818 N PRO A 815 14.358 2.343 23.518 1.00 12.35 N ATOM 1819 CA PRO A 815 13.276 1.817 24.368 1.00 13.52 C ATOM 1820 C PRO A 815 13.702 1.706 25.837 1.00 16.13 C ATOM 1821 O PRO A 815 14.859 1.373 26.074 1.00 13.03 O ATOM 1822 CB PRO A 815 13.007 0.445 23.770 1.00 11.00 C ATOM 1823 CG PRO A 815 13.485 0.535 22.359 1.00 10.50 C ATOM 1824 CD PRO A 815 14.668 1.434 22.405 1.00 11.38 C ATOM 1825 N ASP A 816 12.785 1.918 26.779 1.00 13.22 N ATOM 1826 CA ASP A 816 13.123 1.843 28.210 1.00 16.41 C ATOM 1827 C ASP A 816 13.632 0.450 28.584 1.00 18.07 C ATOM 1828 O ASP A 816 14.507 0.310 29.447 1.00 19.84 O ATOM 1829 CB ASP A 816 11.928 2.215 29.074 1.00 13.13 C ATOM 1830 CG ASP A 816 11.491 3.665 28.892 1.00 16.80 C ATOM 1831 OD1 ASP A 816 12.319 4.487 28.449 1.00 16.40 O ATOM 1832 OD2 ASP A 816 10.322 3.980 29.208 1.00 20.13 O ATOM 1833 H ASP A 816 11.809 2.141 26.498 1.00 0.00 H ATOM 1834 N ASP A 817 13.137 -0.568 27.887 1.00 15.41 N ATOM 1835 CA ASP A 817 13.587 -1.938 28.096 1.00 16.97 C ATOM 1836 C ASP A 817 13.783 -2.668 26.776 1.00 16.58 C ATOM 1837 O ASP A 817 12.853 -2.806 25.977 1.00 13.19 O ATOM 1838 CB ASP A 817 12.577 -2.677 28.963 1.00 9.69 C ATOM 1839 CG ASP A 817 13.073 -4.036 29.386 1.00 18.05 C ATOM 1840 OD1 ASP A 817 12.885 -5.041 28.636 1.00 18.95 O ATOM 1841 OD2 ASP A 817 13.684 -4.078 30.467 1.00 19.41 O ATOM 1842 H ASP A 817 12.406 -0.381 27.171 1.00 0.00 H ATOM 1843 N SER A 818 14.983 -3.184 26.574 1.00 16.54 N ATOM 1844 CA SER A 818 15.316 -3.795 25.302 1.00 16.58 C ATOM 1845 C SER A 818 14.528 -5.075 25.086 1.00 13.77 C ATOM 1846 O SER A 818 14.143 -5.393 23.955 1.00 16.97 O ATOM 1847 CB SER A 818 16.812 -4.079 25.210 1.00 17.14 C ATOM 1848 OG SER A 818 17.228 -5.091 26.115 1.00 19.48 O ATOM 1849 HG SER A 818 18.202 -5.239 26.018 1.00 0.00 H ATOM 1850 H SER A 818 15.693 -3.152 27.333 1.00 0.00 H ATOM 1851 N SER A 819 14.304 -5.823 26.164 1.00 13.35 N ATOM 1852 CA SER A 819 13.607 -7.094 26.050 1.00 11.65 C ATOM 1853 C SER A 819 12.128 -6.908 25.760 1.00 12.85 C ATOM 1854 O SER A 819 11.561 -7.622 24.939 1.00 13.98 O ATOM 1855 CB SER A 819 13.808 -7.905 27.334 1.00 21.47 C ATOM 1856 OG SER A 819 15.176 -8.293 27.481 1.00 25.30 O ATOM 1857 HG SER A 819 15.282 -8.815 28.316 1.00 0.00 H ATOM 1858 H SER A 819 14.630 -5.496 27.096 1.00 0.00 H ATOM 1859 N ASP A 820 11.504 -5.928 26.409 1.00 18.73 N ATOM 1860 CA ASP A 820 10.120 -5.558 26.080 1.00 13.19 C ATOM 1861 C ASP A 820 9.993 -5.137 24.607 1.00 13.28 C ATOM 1862 O ASP A 820 9.018 -5.443 23.921 1.00 11.43 O ATOM 1863 CB ASP A 820 9.632 -4.430 26.975 1.00 13.89 C ATOM 1864 CG ASP A 820 9.433 -4.859 28.423 1.00 16.87 C ATOM 1865 OD1 ASP A 820 9.271 -6.074 28.681 1.00 19.80 O ATOM 1866 OD2 ASP A 820 9.434 -3.964 29.298 1.00 17.29 O ATOM 1867 H ASP A 820 12.005 -5.415 27.162 1.00 0.00 H ATOM 1868 N PHE A 821 10.987 -4.417 24.132 1.00 12.45 N ATOM 1869 CA PHE A 821 10.983 -3.953 22.750 1.00 13.57 C ATOM 1870 C PHE A 821 11.038 -5.131 21.781 1.00 13.90 C ATOM 1871 O PHE A 821 10.258 -5.183 20.825 1.00 12.98 O ATOM 1872 CB PHE A 821 12.157 -2.977 22.521 1.00 12.61 C ATOM 1873 CG PHE A 821 12.509 -2.780 21.060 1.00 13.30 C ATOM 1874 CD1 PHE A 821 11.740 -1.956 20.272 1.00 11.77 C ATOM 1875 CD2 PHE A 821 13.608 -3.412 20.491 1.00 14.20 C ATOM 1876 CE1 PHE A 821 12.053 -1.774 18.916 1.00 12.11 C ATOM 1877 CE2 PHE A 821 13.926 -3.243 19.132 1.00 17.26 C ATOM 1878 CZ PHE A 821 13.164 -2.393 18.358 1.00 11.10 C ATOM 1879 H PHE A 821 11.787 -4.176 24.751 1.00 0.00 H ATOM 1880 N LEU A 822 11.948 -6.079 22.025 1.00 10.78 N ATOM 1881 CA LEU A 822 12.150 -7.204 21.120 1.00 11.44 C ATOM 1882 C LEU A 822 10.909 -8.062 21.105 1.00 12.18 C ATOM 1883 O LEU A 822 10.445 -8.501 20.063 1.00 12.15 O ATOM 1884 CB LEU A 822 13.361 -8.070 21.525 1.00 12.82 C ATOM 1885 CG LEU A 822 14.727 -7.436 21.272 1.00 17.65 C ATOM 1886 CD1 LEU A 822 15.874 -8.231 21.913 1.00 16.05 C ATOM 1887 CD2 LEU A 822 14.957 -7.357 19.767 1.00 25.89 C ATOM 1888 H LEU A 822 12.529 -6.012 22.885 1.00 0.00 H ATOM 1889 N GLU A 823 10.340 -8.283 22.280 1.00 12.49 N ATOM 1890 CA GLU A 823 9.109 -9.051 22.356 1.00 11.21 C ATOM 1891 C GLU A 823 7.964 -8.353 21.602 1.00 12.74 C ATOM 1892 O GLU A 823 7.167 -8.977 20.906 1.00 10.34 O ATOM 1893 CB GLU A 823 8.732 -9.253 23.813 1.00 14.68 C ATOM 1894 CG GLU A 823 7.751 -10.341 24.044 1.00 20.45 C ATOM 1895 CD GLU A 823 7.755 -10.761 25.493 1.00 22.65 C ATOM 1896 OE1 GLU A 823 7.050 -10.100 26.276 1.00 22.08 O ATOM 1897 OE2 GLU A 823 8.464 -11.740 25.841 1.00 26.51 O ATOM 1898 H GLU A 823 10.774 -7.907 23.147 1.00 0.00 H ATOM 1899 N PHE A 824 7.918 -7.035 21.703 1.00 13.87 N ATOM 1900 CA PHE A 824 6.875 -6.281 21.034 1.00 11.74 C ATOM 1901 C PHE A 824 7.038 -6.403 19.516 1.00 10.46 C ATOM 1902 O PHE A 824 6.044 -6.584 18.779 1.00 10.08 O ATOM 1903 CB PHE A 824 6.916 -4.833 21.508 1.00 8.72 C ATOM 1904 CG PHE A 824 5.904 -3.956 20.873 1.00 10.93 C ATOM 1905 CD1 PHE A 824 4.595 -3.981 21.312 1.00 10.87 C ATOM 1906 CD2 PHE A 824 6.255 -3.090 19.846 1.00 8.85 C ATOM 1907 CE1 PHE A 824 3.650 -3.149 20.747 1.00 12.14 C ATOM 1908 CE2 PHE A 824 5.323 -2.276 19.274 1.00 11.40 C ATOM 1909 CZ PHE A 824 4.008 -2.295 19.724 1.00 10.96 C ATOM 1910 H PHE A 824 8.635 -6.535 22.266 1.00 0.00 H ATOM 1911 N VAL A 825 8.274 -6.291 19.037 1.00 10.51 N ATOM 1912 CA VAL A 825 8.535 -6.383 17.605 1.00 9.84 C ATOM 1913 C VAL A 825 8.115 -7.757 17.101 1.00 10.16 C ATOM 1914 O VAL A 825 7.448 -7.869 16.079 1.00 9.85 O ATOM 1915 CB VAL A 825 10.011 -6.111 17.252 1.00 11.18 C ATOM 1916 CG1 VAL A 825 10.261 -6.359 15.762 1.00 13.30 C ATOM 1917 CG2 VAL A 825 10.383 -4.655 17.571 1.00 13.77 C ATOM 1918 H VAL A 825 9.066 -6.136 19.693 1.00 0.00 H ATOM 1919 N ASN A 826 8.468 -8.819 17.823 1.00 13.26 N ATOM 1920 CA ASN A 826 8.067 -10.139 17.370 1.00 15.62 C ATOM 1921 C ASN A 826 6.555 -10.378 17.450 1.00 10.83 C ATOM 1922 O ASN A 826 5.969 -11.098 16.628 1.00 10.40 O ATOM 1923 CB ASN A 826 8.823 -11.181 18.164 1.00 15.44 C ATOM 1924 CG ASN A 826 10.204 -11.379 17.628 1.00 18.98 C ATOM 1925 OD1 ASN A 826 10.381 -11.627 16.426 1.00 24.41 O ATOM 1926 ND2 ASN A 826 11.198 -11.253 18.490 1.00 24.07 N ATOM 1927 HD22 ASN A 826 10.997 -11.044 19.489 1.00 0.00 H ATOM 1928 HD21 ASN A 826 12.181 -11.362 18.169 1.00 0.00 H ATOM 1929 H ASN A 826 9.021 -8.705 18.696 1.00 0.00 H ATOM 1930 N TYR A 827 5.900 -9.671 18.366 1.00 12.32 N ATOM 1931 CA TYR A 827 4.446 -9.733 18.465 1.00 12.11 C ATOM 1932 C TYR A 827 3.798 -9.041 17.267 1.00 8.61 C ATOM 1933 O TYR A 827 2.874 -9.565 16.646 1.00 11.33 O ATOM 1934 CB TYR A 827 3.980 -9.102 19.772 1.00 10.77 C ATOM 1935 CG TYR A 827 2.494 -9.138 19.987 1.00 12.27 C ATOM 1936 CD1 TYR A 827 1.782 -10.309 19.805 1.00 13.09 C ATOM 1937 CD2 TYR A 827 1.801 -8.003 20.396 1.00 16.51 C ATOM 1938 CE1 TYR A 827 0.412 -10.343 20.036 1.00 12.50 C ATOM 1939 CE2 TYR A 827 0.458 -8.015 20.612 1.00 17.12 C ATOM 1940 CZ TYR A 827 -0.245 -9.186 20.430 1.00 15.02 C ATOM 1941 OH TYR A 827 -1.600 -9.152 20.654 1.00 18.01 O ATOM 1942 HH TYR A 827 -1.983 -10.050 20.490 1.00 0.00 H ATOM 1943 H TYR A 827 6.432 -9.065 19.022 1.00 0.00 H ATOM 1944 N VAL A 828 4.321 -7.855 16.926 1.00 9.31 N ATOM 1945 CA VAL A 828 3.847 -7.146 15.735 1.00 7.53 C ATOM 1946 C VAL A 828 4.005 -8.008 14.484 1.00 10.36 C ATOM 1947 O VAL A 828 3.063 -8.125 13.670 1.00 11.08 O ATOM 1948 CB VAL A 828 4.570 -5.782 15.546 1.00 9.98 C ATOM 1949 CG1 VAL A 828 4.321 -5.209 14.148 1.00 9.62 C ATOM 1950 CG2 VAL A 828 4.137 -4.804 16.625 1.00 10.88 C ATOM 1951 H VAL A 828 5.070 -7.434 17.512 1.00 0.00 H ATOM 1952 N ARG A 829 5.154 -8.678 14.361 1.00 8.75 N ATOM 1953 CA ARG A 829 5.380 -9.567 13.231 1.00 10.92 C ATOM 1954 C ARG A 829 4.293 -10.615 13.138 1.00 10.22 C ATOM 1955 O ARG A 829 3.798 -10.917 12.058 1.00 12.63 O ATOM 1956 CB ARG A 829 6.748 -10.249 13.345 1.00 11.44 C ATOM 1957 CG ARG A 829 7.930 -9.286 13.189 1.00 10.87 C ATOM 1958 CD ARG A 829 9.258 -10.041 13.349 1.00 13.67 C ATOM 1959 NE ARG A 829 9.425 -11.003 12.272 1.00 13.48 N ATOM 1960 CZ ARG A 829 10.028 -12.194 12.389 1.00 13.15 C ATOM 1961 NH1 ARG A 829 10.511 -12.589 13.552 1.00 18.56 N ATOM 1962 NH2 ARG A 829 10.132 -12.987 11.332 1.00 14.35 N ATOM 1963 HE ARG A 829 9.047 -10.747 11.338 1.00 0.00 H ATOM 1964 HH12 ARG A 829 10.977 -13.515 13.634 1.00 0.00 H ATOM 1965 HH11 ARG A 829 10.425 -11.974 14.387 1.00 0.00 H ATOM 1966 HH22 ARG A 829 10.599 -13.912 11.420 1.00 0.00 H ATOM 1967 HH21 ARG A 829 9.746 -12.684 10.415 1.00 0.00 H ATOM 1968 H ARG A 829 5.896 -8.563 15.081 1.00 0.00 H ATOM 1969 N SER A 830 3.938 -11.176 14.284 1.00 10.49 N ATOM 1970 CA SER A 830 2.961 -12.247 14.334 1.00 10.18 C ATOM 1971 C SER A 830 1.549 -11.796 13.969 1.00 11.80 C ATOM 1972 O SER A 830 0.721 -12.648 13.585 1.00 10.33 O ATOM 1973 CB SER A 830 2.974 -12.897 15.724 1.00 10.51 C ATOM 1974 OG SER A 830 2.184 -12.227 16.677 1.00 12.33 O ATOM 1975 HG SER A 830 2.514 -11.300 16.784 1.00 0.00 H ATOM 1976 H SER A 830 4.370 -10.841 15.169 1.00 0.00 H ATOM 1977 N LEU A 831 1.292 -10.477 14.045 1.00 10.59 N ATOM 1978 CA LEU A 831 -0.040 -9.925 13.773 1.00 15.15 C ATOM 1979 C LEU A 831 -0.198 -9.444 12.338 1.00 12.77 C ATOM 1980 O LEU A 831 -1.271 -9.002 11.948 1.00 15.06 O ATOM 1981 CB LEU A 831 -0.343 -8.760 14.721 1.00 10.13 C ATOM 1982 CG LEU A 831 -0.502 -9.095 16.202 1.00 12.51 C ATOM 1983 CD1 LEU A 831 -0.731 -7.856 17.043 1.00 15.03 C ATOM 1984 CD2 LEU A 831 -1.656 -10.067 16.394 1.00 11.75 C ATOM 1985 H LEU A 831 2.062 -9.828 14.305 1.00 0.00 H ATOM 1986 N ARG A 832 0.874 -9.512 11.547 1.00 13.94 N ATOM 1987 CA ARG A 832 0.794 -9.113 10.146 1.00 12.71 C ATOM 1988 C ARG A 832 -0.250 -9.907 9.401 1.00 16.74 C ATOM 1989 O ARG A 832 -0.455 -11.102 9.651 1.00 19.14 O ATOM 1990 CB ARG A 832 2.115 -9.285 9.439 1.00 15.62 C ATOM 1991 CG ARG A 832 3.030 -8.119 9.542 1.00 14.63 C ATOM 1992 CD ARG A 832 4.241 -8.266 8.598 1.00 10.73 C ATOM 1993 NE ARG A 832 5.087 -7.097 8.768 1.00 9.92 N ATOM 1994 CZ ARG A 832 4.981 -5.987 8.058 1.00 10.65 C ATOM 1995 NH1 ARG A 832 4.099 -5.887 7.084 1.00 12.38 N ATOM 1996 NH2 ARG A 832 5.776 -4.972 8.323 1.00 13.11 N ATOM 1997 HE ARG A 832 5.827 -7.136 9.498 1.00 0.00 H ATOM 1998 HH12 ARG A 832 4.028 -5.007 6.535 1.00 0.00 H ATOM 1999 HH11 ARG A 832 3.474 -6.688 6.864 1.00 0.00 H ATOM 2000 HH22 ARG A 832 5.701 -4.094 7.770 1.00 0.00 H ATOM 2001 HH21 ARG A 832 6.480 -5.048 9.085 1.00 0.00 H ATOM 2002 H ARG A 832 1.777 -9.853 11.933 1.00 0.00 H ATOM 2003 N VAL A 833 -0.938 -9.229 8.505 1.00 16.91 N ATOM 2004 CA VAL A 833 -1.865 -9.876 7.595 1.00 18.75 C ATOM 2005 C VAL A 833 -1.208 -9.900 6.225 1.00 25.73 C ATOM 2006 O VAL A 833 -0.483 -8.971 5.845 1.00 24.46 O ATOM 2007 CB VAL A 833 -3.177 -9.158 7.544 1.00 16.90 C ATOM 2008 CG1 VAL A 833 -4.163 -9.913 6.619 1.00 26.25 C ATOM 2009 CG2 VAL A 833 -3.746 -9.026 8.954 1.00 21.61 C ATOM 2010 H VAL A 833 -0.813 -8.198 8.448 1.00 0.00 H ATOM 2011 N ASP A 834 -1.409 -10.984 5.485 1.00 21.25 N ATOM 2012 CA ASP A 834 -0.656 -11.164 4.238 1.00 24.89 C ATOM 2013 C ASP A 834 -0.754 -9.989 3.250 1.00 24.11 C ATOM 2014 O ASP A 834 -1.849 -9.549 2.916 1.00 33.19 O ATOM 2015 CB ASP A 834 -1.127 -12.446 3.550 1.00 24.93 C ATOM 2016 CG ASP A 834 -0.545 -13.679 4.178 1.00 36.41 C ATOM 2017 OD1 ASP A 834 0.077 -13.554 5.255 1.00 43.66 O ATOM 2018 OD2 ASP A 834 -0.706 -14.776 3.594 1.00 37.72 O ATOM 2019 H ASP A 834 -2.097 -11.703 5.788 1.00 0.00 H ATOM 2020 N SER A 835 0.405 -9.498 2.805 1.00 27.54 N ATOM 2021 CA SER A 835 0.498 -8.411 1.829 1.00 33.20 C ATOM 2022 C SER A 835 -0.210 -7.091 2.230 1.00 32.09 C ATOM 2023 O SER A 835 -0.460 -6.232 1.382 1.00 27.40 O ATOM 2024 CB SER A 835 -0.059 -8.887 0.488 1.00 39.50 C ATOM 2025 OG SER A 835 0.710 -9.962 -0.011 1.00 51.11 O ATOM 2026 HG SER A 835 0.337 -10.258 -0.879 1.00 0.00 H ATOM 2027 H SER A 835 1.288 -9.909 3.171 1.00 0.00 H ATOM 2028 N GLU A 836 -0.504 -6.929 3.515 1.00 19.59 N ATOM 2029 CA GLU A 836 -1.159 -5.721 4.042 1.00 15.96 C ATOM 2030 C GLU A 836 -0.081 -4.859 4.737 1.00 16.08 C ATOM 2031 O GLU A 836 0.693 -5.378 5.541 1.00 13.28 O ATOM 2032 CB GLU A 836 -2.259 -6.158 5.013 1.00 20.40 C ATOM 2033 CG GLU A 836 -3.333 -5.172 5.332 1.00 27.83 C ATOM 2034 CD GLU A 836 -4.324 -5.738 6.344 1.00 24.59 C ATOM 2035 OE1 GLU A 836 -5.253 -6.471 5.961 1.00 26.02 O ATOM 2036 OE2 GLU A 836 -4.164 -5.460 7.542 1.00 19.69 O ATOM 2037 H GLU A 836 -0.260 -7.691 4.180 1.00 0.00 H ATOM 2038 N PRO A 837 0.021 -3.563 4.413 1.00 13.89 N ATOM 2039 CA PRO A 837 1.010 -2.769 5.148 1.00 13.56 C ATOM 2040 C PRO A 837 0.644 -2.621 6.626 1.00 11.45 C ATOM 2041 O PRO A 837 -0.551 -2.583 6.957 1.00 15.13 O ATOM 2042 CB PRO A 837 0.980 -1.410 4.439 1.00 15.31 C ATOM 2043 CG PRO A 837 0.314 -1.646 3.138 1.00 20.87 C ATOM 2044 CD PRO A 837 -0.572 -2.816 3.293 1.00 17.78 C ATOM 2045 N VAL A 838 1.656 -2.576 7.489 1.00 8.49 N ATOM 2046 CA VAL A 838 1.439 -2.169 8.872 1.00 7.89 C ATOM 2047 C VAL A 838 1.570 -0.648 8.924 1.00 7.82 C ATOM 2048 O VAL A 838 2.515 -0.111 8.391 1.00 8.24 O ATOM 2049 CB VAL A 838 2.431 -2.832 9.827 1.00 7.88 C ATOM 2050 CG1 VAL A 838 2.264 -2.329 11.232 1.00 10.12 C ATOM 2051 CG2 VAL A 838 2.243 -4.372 9.807 1.00 9.82 C ATOM 2052 H VAL A 838 2.613 -2.834 7.173 1.00 0.00 H ATOM 2053 N LEU A 839 0.599 0.062 9.514 1.00 7.85 N ATOM 2054 CA LEU A 839 0.752 1.496 9.690 1.00 8.64 C ATOM 2055 C LEU A 839 1.541 1.697 10.950 1.00 9.41 C ATOM 2056 O LEU A 839 1.127 1.248 12.012 1.00 9.34 O ATOM 2057 CB LEU A 839 -0.594 2.193 9.771 1.00 9.47 C ATOM 2058 CG LEU A 839 -0.633 3.732 9.814 1.00 10.58 C ATOM 2059 CD1 LEU A 839 -1.997 4.191 9.396 1.00 21.70 C ATOM 2060 CD2 LEU A 839 -0.289 4.271 11.186 1.00 12.82 C ATOM 2061 H LEU A 839 -0.264 -0.413 9.846 1.00 0.00 H ATOM 2062 N VAL A 840 2.695 2.329 10.810 1.00 8.18 N ATOM 2063 CA VAL A 840 3.558 2.628 11.946 1.00 9.14 C ATOM 2064 C VAL A 840 3.726 4.145 12.040 1.00 10.02 C ATOM 2065 O VAL A 840 3.927 4.830 11.042 1.00 8.87 O ATOM 2066 CB VAL A 840 4.913 1.856 11.822 1.00 8.11 C ATOM 2067 CG1 VAL A 840 5.753 2.344 10.648 1.00 7.15 C ATOM 2068 CG2 VAL A 840 5.682 1.899 13.115 1.00 13.27 C ATOM 2069 H VAL A 840 2.996 2.622 9.859 1.00 0.00 H ATOM 2070 N HIS A 841 3.585 4.664 13.252 1.00 7.80 N ATOM 2071 CA HIS A 841 3.804 6.084 13.471 1.00 6.88 C ATOM 2072 C HIS A 841 4.371 6.348 14.852 1.00 8.70 C ATOM 2073 O HIS A 841 4.341 5.516 15.738 1.00 8.80 O ATOM 2074 CB HIS A 841 2.508 6.875 13.238 1.00 10.26 C ATOM 2075 CG HIS A 841 1.533 6.875 14.376 1.00 6.84 C ATOM 2076 ND1 HIS A 841 1.607 7.776 15.413 1.00 6.51 N ATOM 2077 CD2 HIS A 841 0.384 6.179 14.576 1.00 8.57 C ATOM 2078 CE1 HIS A 841 0.567 7.632 16.209 1.00 8.40 C ATOM 2079 NE2 HIS A 841 -0.191 6.661 15.730 1.00 6.80 N ATOM 2080 H HIS A 841 3.317 4.052 14.049 1.00 0.00 H ATOM 2081 N SER A 842 4.924 7.532 15.008 1.00 10.17 N ATOM 2082 CA SER A 842 5.378 7.953 16.319 1.00 8.48 C ATOM 2083 C SER A 842 4.895 9.400 16.410 1.00 10.89 C ATOM 2084 O SER A 842 3.738 9.669 16.137 1.00 10.75 O ATOM 2085 CB SER A 842 6.892 7.705 16.476 1.00 9.20 C ATOM 2086 OG SER A 842 7.633 8.233 15.383 1.00 8.71 O ATOM 2087 HG SER A 842 7.483 9.210 15.325 1.00 0.00 H ATOM 2088 H SER A 842 5.035 8.166 14.191 1.00 0.00 H ATOM 2089 N SER A 843 5.741 10.347 16.811 1.00 6.84 N ATOM 2090 CA SER A 843 5.370 11.752 16.722 1.00 9.23 C ATOM 2091 C SER A 843 5.722 12.297 15.336 1.00 6.03 C ATOM 2092 O SER A 843 4.838 12.732 14.627 1.00 8.20 O ATOM 2093 CB SER A 843 6.040 12.541 17.829 1.00 6.32 C ATOM 2094 OG SER A 843 5.531 13.867 17.868 1.00 10.39 O ATOM 2095 HG SER A 843 4.556 13.840 18.035 1.00 0.00 H ATOM 2096 H SER A 843 6.672 10.081 17.190 1.00 0.00 H ATOM 2097 N ALA A 844 6.990 12.252 14.946 1.00 8.36 N ATOM 2098 CA ALA A 844 7.422 12.614 13.592 1.00 8.30 C ATOM 2099 C ALA A 844 7.294 11.457 12.601 1.00 7.54 C ATOM 2100 O ALA A 844 7.143 11.651 11.415 1.00 9.67 O ATOM 2101 CB ALA A 844 8.856 13.108 13.621 1.00 8.09 C ATOM 2102 H ALA A 844 7.710 11.946 15.632 1.00 0.00 H ATOM 2103 N GLY A 845 7.279 10.246 13.119 1.00 7.67 N ATOM 2104 CA GLY A 845 7.221 9.060 12.292 1.00 9.57 C ATOM 2105 C GLY A 845 8.521 8.717 11.591 1.00 12.05 C ATOM 2106 O GLY A 845 8.469 8.087 10.530 1.00 11.24 O ATOM 2107 H GLY A 845 7.310 10.139 14.153 1.00 0.00 H ATOM 2108 N ILE A 846 9.673 9.080 12.162 1.00 7.57 N ATOM 2109 CA ILE A 846 10.947 8.666 11.558 1.00 6.67 C ATOM 2110 C ILE A 846 11.922 7.980 12.522 1.00 8.80 C ATOM 2111 O ILE A 846 12.656 7.089 12.122 1.00 9.16 O ATOM 2112 CB ILE A 846 11.656 9.876 10.859 1.00 6.73 C ATOM 2113 CG1 ILE A 846 11.925 11.080 11.793 1.00 11.26 C ATOM 2114 CG2 ILE A 846 10.826 10.302 9.667 1.00 10.58 C ATOM 2115 CD1 ILE A 846 13.316 11.045 12.420 1.00 20.21 C ATOM 2116 H ILE A 846 9.668 9.653 13.030 1.00 0.00 H ATOM 2117 N GLY A 847 11.970 8.391 13.776 1.00 9.80 N ATOM 2118 CA GLY A 847 13.034 7.883 14.630 1.00 12.19 C ATOM 2119 C GLY A 847 12.698 6.521 15.193 1.00 10.12 C ATOM 2120 O GLY A 847 13.339 5.520 14.863 1.00 8.79 O ATOM 2121 H GLY A 847 11.265 9.061 14.144 1.00 0.00 H ATOM 2122 N ARG A 848 11.679 6.499 16.037 1.00 7.81 N ATOM 2123 CA ARG A 848 11.267 5.234 16.652 1.00 11.00 C ATOM 2124 C ARG A 848 10.695 4.299 15.583 1.00 8.81 C ATOM 2125 O ARG A 848 10.935 3.093 15.608 1.00 7.82 O ATOM 2126 CB ARG A 848 10.288 5.509 17.792 1.00 8.44 C ATOM 2127 CG ARG A 848 10.983 6.226 18.945 1.00 7.32 C ATOM 2128 CD ARG A 848 9.968 6.824 19.924 1.00 7.98 C ATOM 2129 NE ARG A 848 9.414 8.072 19.404 1.00 8.46 N ATOM 2130 CZ ARG A 848 8.572 8.835 20.068 1.00 7.21 C ATOM 2131 NH1 ARG A 848 8.213 8.527 21.318 1.00 10.64 N ATOM 2132 NH2 ARG A 848 8.129 9.933 19.508 1.00 9.50 N ATOM 2133 HE ARG A 848 9.702 8.376 18.452 1.00 0.00 H ATOM 2134 HH12 ARG A 848 7.547 9.137 21.833 1.00 0.00 H ATOM 2135 HH11 ARG A 848 8.600 7.677 21.776 1.00 0.00 H ATOM 2136 HH22 ARG A 848 7.463 10.546 20.020 1.00 0.00 H ATOM 2137 HH21 ARG A 848 8.443 10.192 18.551 1.00 0.00 H ATOM 2138 H ARG A 848 11.171 7.378 16.264 1.00 0.00 H ATOM 2139 N THR A 849 10.011 4.850 14.587 1.00 8.06 N ATOM 2140 CA THR A 849 9.536 4.005 13.499 1.00 4.89 C ATOM 2141 C THR A 849 10.712 3.358 12.778 1.00 7.70 C ATOM 2142 O THR A 849 10.645 2.172 12.477 1.00 8.56 O ATOM 2143 CB THR A 849 8.680 4.803 12.502 1.00 9.38 C ATOM 2144 OG1 THR A 849 9.500 5.850 11.989 1.00 11.61 O ATOM 2145 CG2 THR A 849 7.474 5.406 13.180 1.00 9.19 C ATOM 2146 HG1 THR A 849 8.980 6.387 11.341 1.00 0.00 H ATOM 2147 H THR A 849 9.817 5.872 14.584 1.00 0.00 H ATOM 2148 N GLY A 850 11.792 4.096 12.498 1.00 6.60 N ATOM 2149 CA GLY A 850 12.929 3.532 11.774 1.00 7.59 C ATOM 2150 C GLY A 850 13.574 2.393 12.533 1.00 7.24 C ATOM 2151 O GLY A 850 13.999 1.391 11.948 1.00 8.94 O ATOM 2152 H GLY A 850 11.823 5.090 12.801 1.00 0.00 H ATOM 2153 N VAL A 851 13.673 2.557 13.844 1.00 8.40 N ATOM 2154 CA VAL A 851 14.221 1.488 14.688 1.00 8.84 C ATOM 2155 C VAL A 851 13.364 0.227 14.589 1.00 8.30 C ATOM 2156 O VAL A 851 13.902 -0.887 14.415 1.00 9.02 O ATOM 2157 CB VAL A 851 14.328 1.940 16.169 1.00 8.08 C ATOM 2158 CG1 VAL A 851 14.691 0.800 17.084 1.00 9.59 C ATOM 2159 CG2 VAL A 851 15.375 3.076 16.316 1.00 8.82 C ATOM 2160 H VAL A 851 13.360 3.449 14.278 1.00 0.00 H ATOM 2161 N LEU A 852 12.047 0.381 14.699 1.00 8.48 N ATOM 2162 CA LEU A 852 11.166 -0.779 14.625 1.00 6.91 C ATOM 2163 C LEU A 852 11.297 -1.504 13.277 1.00 9.12 C ATOM 2164 O LEU A 852 11.429 -2.715 13.241 1.00 9.81 O ATOM 2165 CB LEU A 852 9.711 -0.386 14.896 1.00 8.99 C ATOM 2166 CG LEU A 852 8.814 -1.615 14.914 1.00 10.54 C ATOM 2167 CD1 LEU A 852 7.856 -1.589 16.080 1.00 14.03 C ATOM 2168 CD2 LEU A 852 8.086 -1.745 13.608 1.00 12.48 C ATOM 2169 H LEU A 852 11.645 1.330 14.838 1.00 0.00 H ATOM 2170 N VAL A 853 11.307 -0.750 12.191 1.00 8.94 N ATOM 2171 CA VAL A 853 11.391 -1.305 10.862 1.00 8.27 C ATOM 2172 C VAL A 853 12.710 -2.036 10.679 1.00 10.08 C ATOM 2173 O VAL A 853 12.743 -3.078 10.047 1.00 10.13 O ATOM 2174 CB VAL A 853 11.267 -0.211 9.799 1.00 7.93 C ATOM 2175 CG1 VAL A 853 11.531 -0.760 8.400 1.00 9.39 C ATOM 2176 CG2 VAL A 853 9.835 0.395 9.865 1.00 11.59 C ATOM 2177 H VAL A 853 11.252 0.283 12.299 1.00 0.00 H ATOM 2178 N THR A 854 13.787 -1.436 11.184 1.00 8.39 N ATOM 2179 CA THR A 854 15.115 -2.037 11.059 1.00 10.94 C ATOM 2180 C THR A 854 15.104 -3.366 11.769 1.00 13.63 C ATOM 2181 O THR A 854 15.585 -4.387 11.231 1.00 10.08 O ATOM 2182 CB THR A 854 16.220 -1.159 11.641 1.00 11.02 C ATOM 2183 OG1 THR A 854 16.254 0.099 10.960 1.00 12.25 O ATOM 2184 CG2 THR A 854 17.517 -1.825 11.478 1.00 11.22 C ATOM 2185 HG1 THR A 854 15.382 0.556 11.069 1.00 0.00 H ATOM 2186 H THR A 854 13.682 -0.525 11.675 1.00 0.00 H ATOM 2187 N MET A 855 14.480 -3.392 12.945 1.00 10.43 N ATOM 2188 CA MET A 855 14.522 -4.605 13.748 1.00 9.01 C ATOM 2189 C MET A 855 13.691 -5.717 13.132 1.00 10.96 C ATOM 2190 O MET A 855 14.103 -6.883 13.133 1.00 10.58 O ATOM 2191 CB MET A 855 14.045 -4.333 15.168 1.00 11.76 C ATOM 2192 CG MET A 855 14.300 -5.466 16.130 1.00 13.95 C ATOM 2193 SD MET A 855 16.077 -5.608 16.464 1.00 18.11 S ATOM 2194 CE MET A 855 16.226 -7.364 16.471 1.00 22.34 C ATOM 2195 H MET A 855 13.968 -2.554 13.286 1.00 0.00 H ATOM 2196 N GLU A 856 12.529 -5.380 12.591 1.00 10.28 N ATOM 2197 CA GLU A 856 11.709 -6.402 11.978 1.00 7.36 C ATOM 2198 C GLU A 856 12.443 -7.001 10.798 1.00 10.55 C ATOM 2199 O GLU A 856 12.429 -8.197 10.606 1.00 10.79 O ATOM 2200 CB GLU A 856 10.339 -5.857 11.545 1.00 9.31 C ATOM 2201 CG GLU A 856 9.519 -6.935 10.838 1.00 9.36 C ATOM 2202 CD GLU A 856 8.087 -6.565 10.527 1.00 13.22 C ATOM 2203 OE1 GLU A 856 7.316 -7.517 10.318 1.00 13.01 O ATOM 2204 OE2 GLU A 856 7.708 -5.370 10.493 1.00 11.58 O ATOM 2205 H GLU A 856 12.210 -4.390 12.607 1.00 0.00 H ATOM 2206 N THR A 857 13.050 -6.156 9.988 1.00 8.90 N ATOM 2207 CA THR A 857 13.800 -6.604 8.840 1.00 8.64 C ATOM 2208 C THR A 857 14.882 -7.583 9.286 1.00 12.86 C ATOM 2209 O THR A 857 15.006 -8.658 8.719 1.00 13.62 O ATOM 2210 CB THR A 857 14.460 -5.409 8.110 1.00 12.39 C ATOM 2211 OG1 THR A 857 13.484 -4.420 7.778 1.00 11.70 O ATOM 2212 CG2 THR A 857 15.149 -5.875 6.832 1.00 14.11 C ATOM 2213 HG1 THR A 857 13.053 -4.092 8.607 1.00 0.00 H ATOM 2214 H THR A 857 12.986 -5.136 10.182 1.00 0.00 H ATOM 2215 N ALA A 858 15.662 -7.176 10.282 1.00 10.49 N ATOM 2216 CA ALA A 858 16.759 -8.014 10.798 1.00 12.13 C ATOM 2217 C ALA A 858 16.271 -9.357 11.354 1.00 14.26 C ATOM 2218 O ALA A 858 16.956 -10.383 11.220 1.00 14.43 O ATOM 2219 CB ALA A 858 17.540 -7.284 11.860 1.00 11.98 C ATOM 2220 H ALA A 858 15.494 -6.242 10.708 1.00 0.00 H ATOM 2221 N MET A 859 15.108 -9.371 11.995 1.00 12.23 N ATOM 2222 CA MET A 859 14.522 -10.613 12.511 1.00 11.65 C ATOM 2223 C MET A 859 14.233 -11.586 11.385 1.00 15.37 C ATOM 2224 O MET A 859 14.483 -12.796 11.501 1.00 14.60 O ATOM 2225 CB MET A 859 13.217 -10.346 13.280 1.00 12.68 C ATOM 2226 CG MET A 859 13.360 -9.706 14.648 1.00 11.03 C ATOM 2227 SD MET A 859 14.467 -10.544 15.814 1.00 13.41 S ATOM 2228 CE MET A 859 13.773 -12.203 15.801 1.00 19.94 C ATOM 2229 H MET A 859 14.598 -8.476 12.135 1.00 0.00 H ATOM 2230 N CYS A 860 13.703 -11.066 10.284 1.00 11.69 N ATOM 2231 CA CYS A 860 13.379 -11.881 9.126 1.00 12.47 C ATOM 2232 C CYS A 860 14.643 -12.458 8.514 1.00 19.36 C ATOM 2233 O CYS A 860 14.678 -13.622 8.143 1.00 18.86 O ATOM 2234 CB CYS A 860 12.605 -11.064 8.097 1.00 15.42 C ATOM 2235 SG CYS A 860 10.969 -10.597 8.688 1.00 13.53 S ATOM 2236 H CYS A 860 13.514 -10.044 10.250 1.00 0.00 H ATOM 2237 N LEU A 861 15.670 -11.635 8.404 1.00 15.24 N ATOM 2238 CA LEU A 861 16.952 -12.061 7.837 1.00 18.99 C ATOM 2239 C LEU A 861 17.636 -13.092 8.697 1.00 19.01 C ATOM 2240 O LEU A 861 18.124 -14.094 8.177 1.00 20.60 O ATOM 2241 CB LEU A 861 17.868 -10.856 7.658 1.00 14.39 C ATOM 2242 CG LEU A 861 17.451 -9.865 6.567 1.00 14.85 C ATOM 2243 CD1 LEU A 861 18.222 -8.606 6.754 1.00 15.84 C ATOM 2244 CD2 LEU A 861 17.630 -10.413 5.157 1.00 19.48 C ATOM 2245 H LEU A 861 15.565 -10.653 8.730 1.00 0.00 H ATOM 2246 N THR A 862 17.695 -12.849 9.999 1.00 12.78 N ATOM 2247 CA THR A 862 18.373 -13.777 10.895 1.00 18.76 C ATOM 2248 C THR A 862 17.711 -15.166 10.867 1.00 26.76 C ATOM 2249 O THR A 862 18.404 -16.203 10.816 1.00 19.51 O ATOM 2250 CB THR A 862 18.427 -13.203 12.340 1.00 24.28 C ATOM 2251 OG1 THR A 862 19.262 -14.033 13.148 1.00 37.93 O ATOM 2252 CG2 THR A 862 17.079 -13.122 12.961 1.00 26.14 C ATOM 2253 HG1 THR A 862 19.297 -13.668 14.068 1.00 0.00 H ATOM 2254 H THR A 862 17.254 -11.989 10.384 1.00 0.00 H ATOM 2255 N GLU A 863 16.384 -15.197 10.835 1.00 17.14 N ATOM 2256 CA GLU A 863 15.662 -16.471 10.869 1.00 17.88 C ATOM 2257 C GLU A 863 15.876 -17.276 9.583 1.00 22.96 C ATOM 2258 O GLU A 863 15.681 -18.507 9.564 1.00 22.70 O ATOM 2259 CB GLU A 863 14.155 -16.230 11.118 1.00 19.12 C ATOM 2260 CG GLU A 863 13.891 -15.814 12.563 1.00 19.92 C ATOM 2261 CD GLU A 863 12.490 -15.308 12.825 1.00 19.50 C ATOM 2262 OE1 GLU A 863 11.617 -15.486 11.956 1.00 16.92 O ATOM 2263 OE2 GLU A 863 12.290 -14.739 13.930 1.00 24.73 O ATOM 2264 H GLU A 863 15.851 -14.306 10.785 1.00 0.00 H ATOM 2265 N ARG A 864 16.295 -16.583 8.525 1.00 20.50 N ATOM 2266 CA ARG A 864 16.459 -17.170 7.203 1.00 20.06 C ATOM 2267 C ARG A 864 17.927 -17.381 6.862 1.00 20.85 C ATOM 2268 O ARG A 864 18.261 -17.706 5.723 1.00 23.55 O ATOM 2269 CB ARG A 864 15.792 -16.293 6.157 1.00 23.35 C ATOM 2270 CG ARG A 864 14.279 -16.300 6.314 1.00 29.24 C ATOM 2271 CD ARG A 864 13.576 -15.355 5.380 1.00 28.42 C ATOM 2272 NE ARG A 864 12.126 -15.555 5.411 1.00 28.87 N ATOM 2273 CZ ARG A 864 11.315 -15.076 6.353 1.00 37.29 C ATOM 2274 NH1 ARG A 864 11.795 -14.353 7.365 1.00 33.87 N ATOM 2275 NH2 ARG A 864 10.016 -15.323 6.289 1.00 39.70 N ATOM 2276 HE ARG A 864 11.699 -16.111 4.643 1.00 0.00 H ATOM 2277 HH12 ARG A 864 11.150 -13.985 8.093 1.00 0.00 H ATOM 2278 HH11 ARG A 864 12.814 -14.157 7.426 1.00 0.00 H ATOM 2279 HH22 ARG A 864 9.379 -14.951 7.022 1.00 0.00 H ATOM 2280 HH21 ARG A 864 9.632 -15.889 5.505 1.00 0.00 H ATOM 2281 H ARG A 864 16.515 -15.574 8.650 1.00 0.00 H ATOM 2282 N ASN A 865 18.786 -17.194 7.854 1.00 20.93 N ATOM 2283 CA ASN A 865 20.219 -17.281 7.641 1.00 22.68 C ATOM 2284 C ASN A 865 20.675 -16.457 6.440 1.00 24.86 C ATOM 2285 O ASN A 865 21.264 -16.981 5.492 1.00 23.66 O ATOM 2286 CB ASN A 865 20.608 -18.743 7.451 1.00 26.12 C ATOM 2287 CG ASN A 865 22.070 -18.967 7.627 1.00 23.36 C ATOM 2288 OD1 ASN A 865 22.715 -18.309 8.438 1.00 23.30 O ATOM 2289 ND2 ASN A 865 22.605 -19.938 6.900 1.00 36.38 N ATOM 2290 HD22 ASN A 865 22.016 -20.467 6.226 1.00 0.00 H ATOM 2291 HD21 ASN A 865 23.613 -20.170 7.004 1.00 0.00 H ATOM 2292 H ASN A 865 18.425 -16.980 8.806 1.00 0.00 H ATOM 2293 N LEU A 866 20.330 -15.172 6.471 1.00 25.42 N ATOM 2294 CA LEU A 866 20.732 -14.211 5.452 1.00 25.21 C ATOM 2295 C LEU A 866 21.518 -13.079 6.090 1.00 17.86 C ATOM 2296 O LEU A 866 21.282 -12.719 7.242 1.00 22.44 O ATOM 2297 CB LEU A 866 19.521 -13.629 4.732 1.00 21.99 C ATOM 2298 CG LEU A 866 18.560 -14.594 4.064 1.00 27.01 C ATOM 2299 CD1 LEU A 866 17.358 -13.837 3.538 1.00 25.67 C ATOM 2300 CD2 LEU A 866 19.233 -15.396 2.926 1.00 25.84 C ATOM 2301 H LEU A 866 19.744 -14.837 7.262 1.00 0.00 H ATOM 2302 N PRO A 867 22.474 -12.503 5.347 1.00 22.93 N ATOM 2303 CA PRO A 867 23.307 -11.468 5.971 1.00 22.87 C ATOM 2304 C PRO A 867 22.557 -10.172 6.267 1.00 18.18 C ATOM 2305 O PRO A 867 21.647 -9.749 5.538 1.00 20.94 O ATOM 2306 CB PRO A 867 24.435 -11.229 4.943 1.00 25.89 C ATOM 2307 CG PRO A 867 23.935 -11.746 3.687 1.00 24.74 C ATOM 2308 CD PRO A 867 22.919 -12.831 3.984 1.00 28.10 C ATOM 2309 N ILE A 868 22.961 -9.589 7.379 1.00 15.69 N ATOM 2310 CA ILE A 868 22.370 -8.371 7.877 1.00 19.99 C ATOM 2311 C ILE A 868 23.378 -7.247 7.858 1.00 18.67 C ATOM 2312 O ILE A 868 24.392 -7.270 8.572 1.00 16.77 O ATOM 2313 CB ILE A 868 21.841 -8.562 9.287 1.00 21.23 C ATOM 2314 CG1 ILE A 868 20.844 -9.717 9.309 1.00 15.96 C ATOM 2315 CG2 ILE A 868 21.164 -7.280 9.779 1.00 18.04 C ATOM 2316 CD1 ILE A 868 20.452 -10.122 10.688 1.00 20.99 C ATOM 2317 H ILE A 868 23.736 -10.025 7.918 1.00 0.00 H ATOM 2318 N TYR A 869 23.058 -6.226 7.065 1.00 18.14 N ATOM 2319 CA TYR A 869 23.832 -4.994 7.002 1.00 18.29 C ATOM 2320 C TYR A 869 22.959 -3.836 7.425 1.00 13.83 C ATOM 2321 O TYR A 869 22.234 -3.278 6.594 1.00 15.68 O ATOM 2322 CB TYR A 869 24.384 -4.797 5.597 1.00 19.51 C ATOM 2323 CG TYR A 869 25.372 -5.896 5.313 1.00 21.62 C ATOM 2324 CD1 TYR A 869 26.600 -5.923 5.965 1.00 18.79 C ATOM 2325 CD2 TYR A 869 25.056 -6.925 4.459 1.00 20.29 C ATOM 2326 CE1 TYR A 869 27.500 -6.959 5.738 1.00 28.96 C ATOM 2327 CE2 TYR A 869 25.946 -7.957 4.228 1.00 26.20 C ATOM 2328 CZ TYR A 869 27.160 -7.960 4.868 1.00 19.17 C ATOM 2329 OH TYR A 869 28.041 -9.003 4.635 1.00 32.96 O ATOM 2330 HH TYR A 869 28.865 -8.862 5.165 1.00 0.00 H ATOM 2331 H TYR A 869 22.215 -6.313 6.462 1.00 0.00 H ATOM 2332 N PRO A 870 23.034 -3.467 8.715 1.00 15.59 N ATOM 2333 CA PRO A 870 22.102 -2.449 9.196 1.00 13.70 C ATOM 2334 C PRO A 870 22.191 -1.159 8.393 1.00 17.47 C ATOM 2335 O PRO A 870 21.158 -0.528 8.202 1.00 15.58 O ATOM 2336 CB PRO A 870 22.503 -2.243 10.652 1.00 13.39 C ATOM 2337 CG PRO A 870 23.115 -3.592 11.070 1.00 17.65 C ATOM 2338 CD PRO A 870 23.762 -4.136 9.816 1.00 16.03 C ATOM 2339 N LEU A 871 23.381 -0.775 7.938 1.00 14.74 N ATOM 2340 CA LEU A 871 23.485 0.440 7.151 1.00 14.49 C ATOM 2341 C LEU A 871 22.692 0.364 5.840 1.00 15.19 C ATOM 2342 O LEU A 871 22.058 1.360 5.460 1.00 14.82 O ATOM 2343 CB LEU A 871 24.940 0.784 6.858 1.00 16.08 C ATOM 2344 CG LEU A 871 25.119 2.219 6.346 1.00 18.19 C ATOM 2345 CD1 LEU A 871 24.739 3.244 7.416 1.00 19.81 C ATOM 2346 CD2 LEU A 871 26.541 2.444 5.895 1.00 22.66 C ATOM 2347 H LEU A 871 24.229 -1.340 8.144 1.00 0.00 H ATOM 2348 N ASP A 872 22.702 -0.778 5.159 1.00 15.71 N ATOM 2349 CA ASP A 872 21.900 -0.982 3.953 1.00 16.03 C ATOM 2350 C ASP A 872 20.414 -0.889 4.254 1.00 9.27 C ATOM 2351 O ASP A 872 19.636 -0.378 3.450 1.00 13.91 O ATOM 2352 CB ASP A 872 22.176 -2.354 3.333 1.00 18.53 C ATOM 2353 CG ASP A 872 23.575 -2.470 2.741 1.00 26.48 C ATOM 2354 OD1 ASP A 872 24.264 -1.441 2.596 1.00 26.57 O ATOM 2355 OD2 ASP A 872 23.961 -3.615 2.408 1.00 27.57 O ATOM 2356 H ASP A 872 23.303 -1.556 5.497 1.00 0.00 H ATOM 2357 N ILE A 873 20.020 -1.382 5.425 1.00 11.55 N ATOM 2358 CA ILE A 873 18.622 -1.336 5.814 1.00 12.88 C ATOM 2359 C ILE A 873 18.176 0.131 6.072 1.00 12.42 C ATOM 2360 O ILE A 873 17.128 0.530 5.596 1.00 11.38 O ATOM 2361 CB ILE A 873 18.348 -2.237 7.055 1.00 10.93 C ATOM 2362 CG1 ILE A 873 18.701 -3.692 6.723 1.00 13.84 C ATOM 2363 CG2 ILE A 873 16.871 -2.141 7.485 1.00 13.43 C ATOM 2364 CD1 ILE A 873 18.724 -4.587 7.937 1.00 17.39 C ATOM 2365 H ILE A 873 20.720 -1.804 6.068 1.00 0.00 H ATOM 2366 N VAL A 874 18.980 0.891 6.800 1.00 13.07 N ATOM 2367 CA VAL A 874 18.678 2.297 7.076 1.00 11.25 C ATOM 2368 C VAL A 874 18.653 3.079 5.771 1.00 14.71 C ATOM 2369 O VAL A 874 17.705 3.811 5.534 1.00 10.77 O ATOM 2370 CB VAL A 874 19.656 2.914 8.044 1.00 11.61 C ATOM 2371 CG1 VAL A 874 19.399 4.372 8.228 1.00 12.33 C ATOM 2372 CG2 VAL A 874 19.566 2.199 9.422 1.00 14.10 C ATOM 2373 H VAL A 874 19.852 0.477 7.187 1.00 0.00 H ATOM 2374 N ARG A 875 19.641 2.885 4.907 1.00 15.43 N ATOM 2375 CA ARG A 875 19.620 3.544 3.592 1.00 10.56 C ATOM 2376 C ARG A 875 18.353 3.234 2.801 1.00 12.10 C ATOM 2377 O ARG A 875 17.742 4.128 2.206 1.00 12.90 O ATOM 2378 CB ARG A 875 20.833 3.123 2.764 1.00 15.20 C ATOM 2379 CG ARG A 875 21.058 3.983 1.525 1.00 21.12 C ATOM 2380 CD ARG A 875 22.182 3.438 0.674 1.00 19.68 C ATOM 2381 NE ARG A 875 23.413 3.267 1.439 1.00 22.27 N ATOM 2382 CZ ARG A 875 23.935 2.097 1.840 1.00 24.97 C ATOM 2383 NH1 ARG A 875 23.370 0.936 1.530 1.00 28.04 N ATOM 2384 NH2 ARG A 875 25.063 2.094 2.548 1.00 24.97 N ATOM 2385 HE ARG A 875 23.933 4.130 1.697 1.00 0.00 H ATOM 2386 HH12 ARG A 875 23.798 0.046 1.855 1.00 0.00 H ATOM 2387 HH11 ARG A 875 22.499 0.917 0.962 1.00 0.00 H ATOM 2388 HH22 ARG A 875 25.476 1.193 2.864 1.00 0.00 H ATOM 2389 HH21 ARG A 875 25.531 2.992 2.785 1.00 0.00 H ATOM 2390 H ARG A 875 20.435 2.263 5.161 1.00 0.00 H ATOM 2391 N LYS A 876 17.951 1.971 2.779 1.00 12.31 N ATOM 2392 CA LYS A 876 16.785 1.530 2.048 1.00 10.52 C ATOM 2393 C LYS A 876 15.498 2.222 2.563 1.00 12.16 C ATOM 2394 O LYS A 876 14.645 2.571 1.766 1.00 11.91 O ATOM 2395 CB LYS A 876 16.633 0.012 2.140 1.00 16.22 C ATOM 2396 CG LYS A 876 15.468 -0.555 1.366 1.00 18.33 C ATOM 2397 CD LYS A 876 15.684 -0.510 -0.140 1.00 18.96 C ATOM 2398 CE LYS A 876 14.363 -0.401 -0.895 1.00 19.42 C ATOM 2399 NZ LYS A 876 13.295 -1.290 -0.348 1.00 19.41 N ATOM 2400 HZ1 LYS A 876 13.608 -2.280 -0.404 1.00 0.00 H ATOM 2401 HZ2 LYS A 876 13.111 -1.039 0.644 1.00 0.00 H ATOM 2402 HZ3 LYS A 876 12.425 -1.168 -0.905 1.00 0.00 H ATOM 2403 H LYS A 876 18.499 1.266 3.312 1.00 0.00 H ATOM 2404 N MET A 877 15.369 2.332 3.881 1.00 12.97 N ATOM 2405 CA MET A 877 14.262 3.063 4.499 1.00 12.89 C ATOM 2406 C MET A 877 14.315 4.528 4.079 1.00 11.12 C ATOM 2407 O MET A 877 13.283 5.101 3.698 1.00 10.84 O ATOM 2408 CB MET A 877 14.302 2.988 6.032 1.00 9.45 C ATOM 2409 CG MET A 877 14.039 1.642 6.590 1.00 12.92 C ATOM 2410 SD MET A 877 13.863 1.800 8.393 1.00 13.40 S ATOM 2411 CE MET A 877 15.442 2.332 8.963 1.00 15.83 C ATOM 2412 H MET A 877 16.079 1.883 4.494 1.00 0.00 H ATOM 2413 N ARG A 878 15.516 5.116 4.117 1.00 10.19 N ATOM 2414 CA ARG A 878 15.651 6.560 3.871 1.00 10.32 C ATOM 2415 C ARG A 878 15.440 6.921 2.427 1.00 10.92 C ATOM 2416 O ARG A 878 15.123 8.077 2.114 1.00 11.94 O ATOM 2417 CB ARG A 878 17.003 7.069 4.358 1.00 11.20 C ATOM 2418 CG ARG A 878 17.121 7.093 5.867 1.00 11.81 C ATOM 2419 CD ARG A 878 18.430 7.677 6.331 1.00 13.35 C ATOM 2420 NE ARG A 878 18.502 7.721 7.799 1.00 11.76 N ATOM 2421 CZ ARG A 878 19.514 8.227 8.491 1.00 13.80 C ATOM 2422 NH1 ARG A 878 20.567 8.755 7.854 1.00 13.10 N ATOM 2423 NH2 ARG A 878 19.475 8.216 9.826 1.00 12.64 N ATOM 2424 HE ARG A 878 17.702 7.327 8.333 1.00 0.00 H ATOM 2425 HH12 ARG A 878 21.359 9.151 8.399 1.00 0.00 H ATOM 2426 HH11 ARG A 878 20.592 8.769 6.814 1.00 0.00 H ATOM 2427 HH22 ARG A 878 20.266 8.612 10.373 1.00 0.00 H ATOM 2428 HH21 ARG A 878 18.653 7.812 10.319 1.00 0.00 H ATOM 2429 H ARG A 878 16.362 4.547 4.322 1.00 0.00 H ATOM 2430 N ASP A 879 15.564 5.948 1.531 1.00 10.78 N ATOM 2431 CA ASP A 879 15.174 6.162 0.155 1.00 11.51 C ATOM 2432 C ASP A 879 13.653 6.263 -0.018 1.00 12.19 C ATOM 2433 O ASP A 879 13.166 6.626 -1.092 1.00 11.16 O ATOM 2434 CB ASP A 879 15.718 5.021 -0.722 1.00 14.10 C ATOM 2435 CG ASP A 879 17.249 4.989 -0.759 1.00 15.44 C ATOM 2436 OD1 ASP A 879 17.904 5.965 -0.311 1.00 18.55 O ATOM 2437 OD2 ASP A 879 17.793 3.970 -1.225 1.00 24.46 O ATOM 2438 H ASP A 879 15.945 5.025 1.822 1.00 0.00 H ATOM 2439 N GLN A 880 12.903 5.952 1.043 1.00 10.24 N ATOM 2440 CA GLN A 880 11.434 5.931 0.986 1.00 9.44 C ATOM 2441 C GLN A 880 10.800 6.929 1.954 1.00 10.01 C ATOM 2442 O GLN A 880 9.724 7.465 1.680 1.00 10.25 O ATOM 2443 CB GLN A 880 10.930 4.512 1.272 1.00 10.24 C ATOM 2444 CG GLN A 880 11.482 3.535 0.265 1.00 8.56 C ATOM 2445 CD GLN A 880 11.107 2.119 0.600 1.00 8.62 C ATOM 2446 OE1 GLN A 880 10.032 1.665 0.252 1.00 11.23 O ATOM 2447 NE2 GLN A 880 11.970 1.439 1.327 1.00 11.42 N ATOM 2448 HE22 GLN A 880 12.876 1.872 1.599 1.00 0.00 H ATOM 2449 HE21 GLN A 880 11.745 0.470 1.629 1.00 0.00 H ATOM 2450 H GLN A 880 13.374 5.717 1.940 1.00 0.00 H ATOM 2451 N ARG A 881 11.482 7.175 3.066 1.00 9.69 N ATOM 2452 CA ARG A 881 11.065 8.233 3.979 1.00 8.25 C ATOM 2453 C ARG A 881 12.305 8.797 4.617 1.00 10.42 C ATOM 2454 O ARG A 881 13.059 8.055 5.258 1.00 11.02 O ATOM 2455 CB ARG A 881 10.079 7.735 5.054 1.00 8.12 C ATOM 2456 CG ARG A 881 9.512 8.895 5.909 1.00 9.38 C ATOM 2457 CD ARG A 881 8.383 8.425 6.806 1.00 9.06 C ATOM 2458 NE ARG A 881 7.857 9.366 7.803 1.00 10.02 N ATOM 2459 CZ ARG A 881 6.986 10.342 7.549 1.00 9.50 C ATOM 2460 NH1 ARG A 881 6.567 10.564 6.314 1.00 10.62 N ATOM 2461 NH2 ARG A 881 6.536 11.093 8.554 1.00 9.91 N ATOM 2462 HE ARG A 881 8.190 9.263 8.783 1.00 0.00 H ATOM 2463 HH12 ARG A 881 5.887 11.328 6.125 1.00 0.00 H ATOM 2464 HH11 ARG A 881 6.918 9.975 5.532 1.00 0.00 H ATOM 2465 HH22 ARG A 881 5.856 11.858 8.368 1.00 0.00 H ATOM 2466 HH21 ARG A 881 6.865 10.914 9.524 1.00 0.00 H ATOM 2467 H ARG A 881 12.324 6.606 3.289 1.00 0.00 H ATOM 2468 N ALA A 882 12.567 10.089 4.416 1.00 9.01 N ATOM 2469 CA ALA A 882 13.775 10.680 4.942 1.00 8.34 C ATOM 2470 C ALA A 882 13.915 10.524 6.453 1.00 8.67 C ATOM 2471 O ALA A 882 12.915 10.480 7.184 1.00 10.98 O ATOM 2472 CB ALA A 882 13.844 12.166 4.553 1.00 10.84 C ATOM 2473 H ALA A 882 11.897 10.674 3.877 1.00 0.00 H ATOM 2474 N MET A 883 15.159 10.407 6.900 1.00 10.50 N ATOM 2475 CA MET A 883 15.570 10.542 8.311 1.00 8.19 C ATOM 2476 C MET A 883 15.277 9.319 9.206 1.00 7.50 C ATOM 2477 O MET A 883 15.554 9.362 10.399 1.00 10.95 O ATOM 2478 CB MET A 883 14.928 11.802 8.945 1.00 13.55 C ATOM 2479 CG MET A 883 15.329 13.093 8.282 1.00 12.81 C ATOM 2480 SD MET A 883 14.230 14.458 8.746 1.00 15.87 S ATOM 2481 CE MET A 883 14.708 14.736 10.430 1.00 28.68 C ATOM 2482 H MET A 883 15.902 10.204 6.201 1.00 0.00 H ATOM 2483 N MET A 884 14.758 8.247 8.650 1.00 8.08 N ATOM 2484 CA MET A 884 14.404 7.128 9.490 1.00 8.97 C ATOM 2485 C MET A 884 15.635 6.601 10.230 1.00 11.21 C ATOM 2486 O MET A 884 16.718 6.448 9.685 1.00 10.52 O ATOM 2487 CB MET A 884 13.696 6.059 8.670 1.00 7.90 C ATOM 2488 CG MET A 884 12.329 6.529 8.170 1.00 12.05 C ATOM 2489 SD MET A 884 11.330 5.254 7.385 1.00 16.35 S ATOM 2490 CE MET A 884 10.791 4.317 8.805 1.00 12.36 C ATOM 2491 H MET A 884 14.605 8.206 7.622 1.00 0.00 H ATOM 2492 N VAL A 885 15.412 6.391 11.532 1.00 10.24 N ATOM 2493 CA VAL A 885 16.405 6.185 12.583 1.00 8.35 C ATOM 2494 C VAL A 885 17.076 7.532 12.844 1.00 10.91 C ATOM 2495 O VAL A 885 17.934 8.000 12.074 1.00 11.00 O ATOM 2496 CB VAL A 885 17.462 5.111 12.287 1.00 10.89 C ATOM 2497 CG1 VAL A 885 18.315 4.961 13.499 1.00 11.44 C ATOM 2498 CG2 VAL A 885 16.811 3.792 11.983 1.00 11.41 C ATOM 2499 H VAL A 885 14.416 6.372 11.831 1.00 0.00 H ATOM 2500 N GLN A 886 16.651 8.190 13.918 1.00 11.09 N ATOM 2501 CA GLN A 886 17.034 9.588 14.128 1.00 12.09 C ATOM 2502 C GLN A 886 18.450 9.760 14.676 1.00 12.79 C ATOM 2503 O GLN A 886 19.225 10.578 14.168 1.00 16.76 O ATOM 2504 CB GLN A 886 16.057 10.278 15.084 1.00 16.01 C ATOM 2505 CG GLN A 886 16.332 11.766 15.187 1.00 10.21 C ATOM 2506 CD GLN A 886 15.465 12.500 16.183 1.00 9.94 C ATOM 2507 OE1 GLN A 886 14.822 11.895 17.035 1.00 13.66 O ATOM 2508 NE2 GLN A 886 15.426 13.832 16.070 1.00 15.23 N ATOM 2509 HE22 GLN A 886 15.986 14.308 15.334 1.00 0.00 H ATOM 2510 HE21 GLN A 886 14.836 14.392 16.718 1.00 0.00 H ATOM 2511 H GLN A 886 16.044 7.710 14.612 1.00 0.00 H ATOM 2512 N THR A 887 18.771 9.041 15.740 1.00 13.09 N ATOM 2513 CA THR A 887 19.989 9.334 16.488 1.00 16.66 C ATOM 2514 C THR A 887 20.998 8.203 16.399 1.00 18.00 C ATOM 2515 O THR A 887 20.659 7.066 16.096 1.00 14.38 O ATOM 2516 CB THR A 887 19.703 9.608 17.971 1.00 13.67 C ATOM 2517 OG1 THR A 887 19.326 8.380 18.599 1.00 15.97 O ATOM 2518 CG2 THR A 887 18.606 10.658 18.153 1.00 18.59 C ATOM 2519 HG1 THR A 887 19.139 8.545 19.557 1.00 0.00 H ATOM 2520 H THR A 887 18.152 8.263 16.044 1.00 0.00 H ATOM 2521 N SER A 888 22.261 8.532 16.653 1.00 15.42 N ATOM 2522 CA SER A 888 23.303 7.519 16.673 1.00 15.82 C ATOM 2523 C SER A 888 23.026 6.515 17.782 1.00 14.31 C ATOM 2524 O SER A 888 23.257 5.319 17.606 1.00 16.81 O ATOM 2525 CB SER A 888 24.682 8.155 16.860 1.00 20.67 C ATOM 2526 OG SER A 888 24.602 9.234 17.771 1.00 19.25 O ATOM 2527 HG SER A 888 23.975 9.915 17.420 1.00 0.00 H ATOM 2528 H SER A 888 22.506 9.525 16.839 1.00 0.00 H ATOM 2529 N SER A 889 22.525 7.006 18.907 1.00 15.25 N ATOM 2530 CA SER A 889 22.172 6.119 20.019 1.00 17.82 C ATOM 2531 C SER A 889 21.099 5.092 19.599 1.00 16.58 C ATOM 2532 O SER A 889 21.155 3.923 19.990 1.00 15.55 O ATOM 2533 CB SER A 889 21.687 6.927 21.216 1.00 21.20 C ATOM 2534 OG SER A 889 20.483 7.626 20.932 1.00 33.95 O ATOM 2535 HG SER A 889 20.635 8.249 20.178 1.00 0.00 H ATOM 2536 H SER A 889 22.381 8.032 19.001 1.00 0.00 H ATOM 2537 N GLN A 890 20.137 5.515 18.784 1.00 13.04 N ATOM 2538 CA GLN A 890 19.128 4.592 18.261 1.00 10.95 C ATOM 2539 C GLN A 890 19.729 3.546 17.333 1.00 11.23 C ATOM 2540 O GLN A 890 19.353 2.389 17.361 1.00 13.06 O ATOM 2541 CB GLN A 890 18.008 5.370 17.540 1.00 9.71 C ATOM 2542 CG GLN A 890 17.117 6.083 18.492 1.00 12.00 C ATOM 2543 CD GLN A 890 16.127 7.040 17.825 1.00 13.47 C ATOM 2544 OE1 GLN A 890 16.295 7.445 16.676 1.00 12.24 O ATOM 2545 NE2 GLN A 890 15.073 7.375 18.547 1.00 11.91 N ATOM 2546 HE22 GLN A 890 14.969 7.010 19.515 1.00 0.00 H ATOM 2547 HE21 GLN A 890 14.347 8.003 18.147 1.00 0.00 H ATOM 2548 H GLN A 890 20.101 6.519 18.514 1.00 0.00 H ATOM 2549 N TYR A 891 20.697 3.955 16.503 1.00 12.05 N ATOM 2550 CA TYR A 891 21.305 3.052 15.552 1.00 13.91 C ATOM 2551 C TYR A 891 22.159 2.053 16.313 1.00 11.34 C ATOM 2552 O TYR A 891 22.133 0.865 16.018 1.00 15.37 O ATOM 2553 CB TYR A 891 22.132 3.810 14.513 1.00 16.22 C ATOM 2554 CG TYR A 891 22.763 2.930 13.459 1.00 14.71 C ATOM 2555 CD1 TYR A 891 21.983 2.276 12.530 1.00 14.43 C ATOM 2556 CD2 TYR A 891 24.164 2.765 13.377 1.00 15.34 C ATOM 2557 CE1 TYR A 891 22.544 1.474 11.542 1.00 12.81 C ATOM 2558 CE2 TYR A 891 24.724 1.962 12.392 1.00 16.60 C ATOM 2559 CZ TYR A 891 23.905 1.337 11.475 1.00 16.22 C ATOM 2560 OH TYR A 891 24.397 0.546 10.476 1.00 18.15 O ATOM 2561 HH TYR A 891 25.001 1.080 9.901 1.00 0.00 H ATOM 2562 H TYR A 891 21.018 4.943 16.543 1.00 0.00 H ATOM 2563 N LYS A 892 22.920 2.550 17.287 1.00 16.36 N ATOM 2564 CA LYS A 892 23.773 1.669 18.103 1.00 15.49 C ATOM 2565 C LYS A 892 22.868 0.659 18.813 1.00 14.82 C ATOM 2566 O LYS A 892 23.143 -0.532 18.838 1.00 16.48 O ATOM 2567 CB LYS A 892 24.586 2.474 19.114 1.00 20.65 C ATOM 2568 CG LYS A 892 25.689 1.679 19.804 1.00 23.54 C ATOM 2569 CD LYS A 892 26.442 2.556 20.802 1.00 29.66 C ATOM 2570 CE LYS A 892 27.571 1.804 21.486 1.00 32.08 C ATOM 2571 NZ LYS A 892 28.302 2.665 22.459 1.00 34.46 N ATOM 2572 HZ1 LYS A 892 28.709 3.482 21.960 1.00 0.00 H ATOM 2573 HZ2 LYS A 892 27.641 2.998 23.190 1.00 0.00 H ATOM 2574 HZ3 LYS A 892 29.064 2.114 22.903 1.00 0.00 H ATOM 2575 H LYS A 892 22.912 3.573 17.474 1.00 0.00 H ATOM 2576 N PHE A 893 21.774 1.154 19.393 1.00 15.80 N ATOM 2577 CA PHE A 893 20.804 0.270 20.055 1.00 13.98 C ATOM 2578 C PHE A 893 20.298 -0.877 19.159 1.00 15.64 C ATOM 2579 O PHE A 893 20.327 -2.022 19.558 1.00 16.78 O ATOM 2580 CB PHE A 893 19.595 1.068 20.566 1.00 12.44 C ATOM 2581 CG PHE A 893 18.455 0.192 20.990 1.00 15.45 C ATOM 2582 CD1 PHE A 893 18.416 -0.343 22.252 1.00 17.39 C ATOM 2583 CD2 PHE A 893 17.442 -0.116 20.103 1.00 12.85 C ATOM 2584 CE1 PHE A 893 17.386 -1.168 22.628 1.00 22.50 C ATOM 2585 CE2 PHE A 893 16.431 -0.938 20.474 1.00 16.75 C ATOM 2586 CZ PHE A 893 16.404 -1.467 21.733 1.00 17.36 C ATOM 2587 H PHE A 893 21.605 2.180 19.377 1.00 0.00 H ATOM 2588 N VAL A 894 19.874 -0.563 17.947 1.00 13.93 N ATOM 2589 CA VAL A 894 19.313 -1.569 17.102 1.00 14.88 C ATOM 2590 C VAL A 894 20.397 -2.531 16.604 1.00 17.54 C ATOM 2591 O VAL A 894 20.120 -3.703 16.475 1.00 15.72 O ATOM 2592 CB VAL A 894 18.485 -0.926 15.940 1.00 13.93 C ATOM 2593 CG1 VAL A 894 19.342 -0.544 14.765 1.00 16.07 C ATOM 2594 CG2 VAL A 894 17.371 -1.878 15.524 1.00 16.14 C ATOM 2595 H VAL A 894 19.949 0.417 17.608 1.00 0.00 H ATOM 2596 N CYS A 895 21.631 -2.048 16.397 1.00 14.30 N ATOM 2597 CA CYS A 895 22.728 -2.925 15.967 1.00 14.13 C ATOM 2598 C CYS A 895 23.072 -3.926 17.075 1.00 14.40 C ATOM 2599 O CYS A 895 23.195 -5.137 16.823 1.00 16.74 O ATOM 2600 CB CYS A 895 23.966 -2.120 15.583 1.00 16.32 C ATOM 2601 SG CYS A 895 23.842 -1.209 13.986 1.00 17.94 S ATOM 2602 H CYS A 895 21.814 -1.035 16.544 1.00 0.00 H ATOM 2603 N GLU A 896 23.139 -3.420 18.300 1.00 15.46 N ATOM 2604 CA GLU A 896 23.375 -4.256 19.474 1.00 18.99 C ATOM 2605 C GLU A 896 22.257 -5.291 19.654 1.00 17.76 C ATOM 2606 O GLU A 896 22.513 -6.482 19.922 1.00 20.86 O ATOM 2607 CB GLU A 896 23.489 -3.389 20.715 1.00 17.75 C ATOM 2608 CG GLU A 896 24.800 -2.607 20.841 1.00 27.78 C ATOM 2609 CD GLU A 896 24.790 -1.607 22.005 1.00 33.78 C ATOM 2610 OE1 GLU A 896 23.695 -1.268 22.512 1.00 41.42 O ATOM 2611 OE2 GLU A 896 25.874 -1.149 22.415 1.00 38.68 O ATOM 2612 H GLU A 896 23.020 -2.395 18.428 1.00 0.00 H ATOM 2613 N ALA A 897 21.014 -4.840 19.505 1.00 19.00 N ATOM 2614 CA ALA A 897 19.878 -5.738 19.609 1.00 16.22 C ATOM 2615 C ALA A 897 19.894 -6.822 18.525 1.00 16.80 C ATOM 2616 O ALA A 897 19.528 -7.954 18.770 1.00 19.83 O ATOM 2617 CB ALA A 897 18.584 -4.935 19.542 1.00 17.07 C ATOM 2618 H ALA A 897 20.854 -3.831 19.311 1.00 0.00 H ATOM 2619 N ILE A 898 20.332 -6.472 17.319 1.00 14.79 N ATOM 2620 CA ILE A 898 20.462 -7.434 16.241 1.00 14.83 C ATOM 2621 C ILE A 898 21.507 -8.474 16.611 1.00 20.16 C ATOM 2622 O ILE A 898 21.312 -9.656 16.375 1.00 23.18 O ATOM 2623 CB ILE A 898 20.843 -6.742 14.931 1.00 19.30 C ATOM 2624 CG1 ILE A 898 19.624 -5.975 14.414 1.00 14.34 C ATOM 2625 CG2 ILE A 898 21.327 -7.732 13.875 1.00 19.92 C ATOM 2626 CD1 ILE A 898 19.983 -4.897 13.407 1.00 12.93 C ATOM 2627 H ILE A 898 20.589 -5.480 17.144 1.00 0.00 H ATOM 2628 N LEU A 899 22.620 -8.012 17.166 1.00 18.48 N ATOM 2629 CA LEU A 899 23.668 -8.969 17.549 1.00 21.93 C ATOM 2630 C LEU A 899 23.147 -9.907 18.644 1.00 27.51 C ATOM 2631 O LEU A 899 23.431 -11.117 18.630 1.00 24.42 O ATOM 2632 CB LEU A 899 24.935 -8.246 18.019 1.00 22.02 C ATOM 2633 CG LEU A 899 26.242 -8.449 17.236 1.00 43.55 C ATOM 2634 CD1 LEU A 899 27.426 -8.160 18.156 1.00 37.57 C ATOM 2635 CD2 LEU A 899 26.403 -9.840 16.619 1.00 29.99 C ATOM 2636 H LEU A 899 22.749 -6.993 17.327 1.00 0.00 H ATOM 2637 N ARG A 900 22.379 -9.347 19.576 1.00 22.24 N ATOM 2638 CA ARG A 900 21.842 -10.110 20.708 1.00 29.98 C ATOM 2639 C ARG A 900 20.905 -11.208 20.221 1.00 27.15 C ATOM 2640 O ARG A 900 21.008 -12.355 20.631 1.00 26.07 O ATOM 2641 CB ARG A 900 21.124 -9.177 21.697 1.00 27.17 C ATOM 2642 CG ARG A 900 20.194 -9.897 22.685 1.00 32.37 C ATOM 2643 CD ARG A 900 19.461 -8.975 23.669 1.00 41.83 C ATOM 2644 NE ARG A 900 18.417 -9.743 24.361 1.00 43.66 N ATOM 2645 CZ ARG A 900 17.493 -9.241 25.182 1.00 42.36 C ATOM 2646 NH1 ARG A 900 16.596 -10.063 25.743 1.00 37.10 N ATOM 2647 NH2 ARG A 900 17.444 -7.935 25.444 1.00 38.69 N ATOM 2648 HE ARG A 900 18.396 -10.770 24.196 1.00 0.00 H ATOM 2649 HH12 ARG A 900 15.871 -9.682 26.384 1.00 0.00 H ATOM 2650 HH11 ARG A 900 16.624 -11.082 25.537 1.00 0.00 H ATOM 2651 HH22 ARG A 900 16.717 -7.560 26.086 1.00 0.00 H ATOM 2652 HH21 ARG A 900 18.133 -7.291 25.006 1.00 0.00 H ATOM 2653 H ARG A 900 22.152 -8.335 19.499 1.00 0.00 H ATOM 2654 N VAL A 901 20.005 -10.854 19.318 1.00 24.13 N ATOM 2655 CA VAL A 901 19.066 -11.815 18.770 1.00 23.18 C ATOM 2656 C VAL A 901 19.793 -12.925 17.999 1.00 30.44 C ATOM 2657 O VAL A 901 19.462 -14.100 18.152 1.00 28.36 O ATOM 2658 CB VAL A 901 18.036 -11.099 17.873 1.00 19.32 C ATOM 2659 CG1 VAL A 901 17.202 -12.081 17.063 1.00 27.74 C ATOM 2660 CG2 VAL A 901 17.104 -10.243 18.724 1.00 21.82 C ATOM 2661 H VAL A 901 19.970 -9.866 18.994 1.00 0.00 H ATOM 2662 N TYR A 902 20.801 -12.571 17.197 1.00 21.92 N ATOM 2663 CA TYR A 902 21.569 -13.560 16.443 1.00 23.36 C ATOM 2664 C TYR A 902 22.232 -14.530 17.406 1.00 28.07 C ATOM 2665 O TYR A 902 22.176 -15.752 17.231 1.00 30.27 O ATOM 2666 CB TYR A 902 22.634 -12.883 15.566 1.00 22.30 C ATOM 2667 CG TYR A 902 23.660 -13.848 14.973 1.00 16.63 C ATOM 2668 CD1 TYR A 902 23.311 -14.696 13.945 1.00 20.73 C ATOM 2669 CD2 TYR A 902 24.965 -13.874 15.428 1.00 25.19 C ATOM 2670 CE1 TYR A 902 24.225 -15.588 13.399 1.00 20.61 C ATOM 2671 CE2 TYR A 902 25.900 -14.763 14.880 1.00 31.43 C ATOM 2672 CZ TYR A 902 25.514 -15.605 13.857 1.00 26.37 C ATOM 2673 OH TYR A 902 26.395 -16.494 13.280 1.00 31.07 O ATOM 2674 HH TYR A 902 26.731 -17.119 13.970 1.00 0.00 H ATOM 2675 H TYR A 902 21.046 -11.564 17.107 1.00 0.00 H ATOM 2676 N GLU A 903 22.853 -13.978 18.440 1.00 21.36 N ATOM 2677 CA GLU A 903 23.642 -14.801 19.356 1.00 30.37 C ATOM 2678 C GLU A 903 22.732 -15.669 20.233 1.00 38.68 C ATOM 2679 O GLU A 903 22.999 -16.866 20.418 1.00 41.59 O ATOM 2680 CB GLU A 903 24.548 -13.918 20.205 1.00 27.29 C ATOM 2681 CG GLU A 903 25.739 -13.360 19.430 1.00 30.95 C ATOM 2682 CD GLU A 903 26.556 -12.382 20.251 1.00 43.34 C ATOM 2683 OE1 GLU A 903 26.078 -11.988 21.341 1.00 46.18 O ATOM 2684 OE2 GLU A 903 27.671 -12.016 19.812 1.00 42.58 O ATOM 2685 H GLU A 903 22.778 -12.953 18.600 1.00 0.00 H ATOM 2686 N GLU A 904 21.649 -15.088 20.753 1.00 35.87 N ATOM 2687 CA GLU A 904 20.643 -15.877 21.473 1.00 37.27 C ATOM 2688 C GLU A 904 20.180 -17.050 20.620 1.00 38.30 C ATOM 2689 O GLU A 904 20.081 -18.179 21.101 1.00 39.89 O ATOM 2690 CB GLU A 904 19.429 -15.026 21.862 1.00 37.90 C ATOM 2691 CG GLU A 904 19.546 -14.348 23.218 1.00 43.84 C ATOM 2692 CD GLU A 904 18.460 -13.320 23.462 1.00 38.00 C ATOM 2693 OE1 GLU A 904 17.586 -13.143 22.588 1.00 47.38 O ATOM 2694 OE2 GLU A 904 18.490 -12.662 24.522 1.00 46.72 O ATOM 2695 H GLU A 904 21.516 -14.062 20.646 1.00 0.00 H ATOM 2696 N GLY A 905 19.904 -16.786 19.349 1.00 33.72 N ATOM 2697 CA GLY A 905 19.354 -17.810 18.473 1.00 42.58 C ATOM 2698 C GLY A 905 20.363 -18.798 17.894 1.00 44.65 C ATOM 2699 O GLY A 905 19.979 -19.803 17.282 1.00 33.53 O ATOM 2700 H GLY A 905 20.083 -15.833 18.973 1.00 0.00 H ATOM 2701 N LEU A 906 21.653 -18.562 18.082 1.00 34.44 N ATOM 2702 CA LEU A 906 22.695 -19.273 17.370 1.00 28.58 C ATOM 2703 C LEU A 906 22.872 -20.708 17.855 1.00 37.97 C ATOM 2704 O LEU A 906 22.941 -20.931 19.019 1.00 48.00 O ATOM 2705 CB LEU A 906 24.009 -18.558 17.558 1.00 33.62 C ATOM 2706 CG LEU A 906 25.135 -19.094 16.751 1.00 37.46 C ATOM 2707 CD1 LEU A 906 24.770 -19.084 15.341 1.00 31.52 C ATOM 2708 CD2 LEU A 906 26.381 -18.286 16.965 1.00 40.88 C ATOM 2709 H LEU A 906 21.930 -17.834 18.771 1.00 0.00 H ATOM 2710 N VAL A 907 23.015 -21.681 16.982 1.00 51.91 N ATOM 2711 CA VAL A 907 23.188 -23.026 17.471 1.00 44.09 C ATOM 2712 C VAL A 907 24.496 -23.505 16.939 1.00 41.62 C ATOM 2713 O VAL A 907 24.792 -23.223 15.824 1.00 42.43 O ATOM 2714 CB VAL A 907 22.014 -23.900 17.067 1.00 20.00 C ATOM 2715 CG1 VAL A 907 22.360 -25.378 17.120 1.00 20.00 C ATOM 2716 CG2 VAL A 907 20.819 -23.604 17.940 1.00 20.00 C ATOM 2717 H VAL A 907 23.004 -21.484 15.961 1.00 0.00 H TER 2718 VAL A 907 HETATM 2719 O HOH 1 10.839 -5.340 7.564 1.00 11.95 O HETATM 2720 O HOH 2 -1.118 13.457 9.968 1.00 8.64 O HETATM 2721 O HOH 3 -3.501 1.112 21.932 1.00 10.80 O HETATM 2722 O HOH 4 6.971 -11.876 20.765 1.00 14.02 O HETATM 2723 O HOH 5 -0.720 14.995 7.574 1.00 10.57 O HETATM 2724 O HOH 6 -0.660 10.737 10.388 1.00 10.21 O HETATM 2725 O HOH 7 -0.392 8.293 26.021 1.00 10.90 O HETATM 2726 O HOH 8 6.803 8.859 23.892 1.00 14.53 O HETATM 2727 O HOH 9 -1.314 17.644 18.191 1.00 13.44 O HETATM 2728 O HOH 10 6.089 16.096 10.303 1.00 12.22 O HETATM 2729 O HOH 11 10.631 11.696 3.056 1.00 12.23 O HETATM 2730 O HOH 12 9.387 -1.122 29.076 1.00 16.49 O HETATM 2731 O HOH 13 -3.249 15.477 6.492 1.00 14.64 O HETATM 2732 O HOH 14 13.253 9.638 17.852 1.00 12.63 O HETATM 2733 O HOH 15 6.492 5.633 24.027 1.00 11.58 O HETATM 2734 O HOH 16 5.658 15.885 -0.702 1.00 14.16 O HETATM 2735 O HOH 17 -7.617 -5.023 24.189 1.00 16.93 O HETATM 2736 O HOH 18 6.954 11.674 21.412 1.00 11.63 O HETATM 2737 O HOH 19 14.730 4.880 27.346 1.00 19.18 O HETATM 2738 O HOH 20 -2.651 5.203 26.543 1.00 15.06 O HETATM 2739 O HOH 21 9.471 -13.038 21.030 1.00 17.08 O HETATM 2740 O HOH 22 8.128 -10.142 9.938 1.00 15.36 O HETATM 2741 O HOH 23 -0.302 -6.359 8.303 1.00 12.23 O HETATM 2742 O HOH 24 7.120 9.862 1.047 1.00 15.83 O HETATM 2743 O HOH 25 2.150 -7.873 5.980 1.00 20.30 O HETATM 2744 O HOH 26 17.797 11.131 10.647 1.00 16.27 O HETATM 2745 O HOH 27 10.235 12.341 -4.642 1.00 15.15 O HETATM 2746 O HOH 28 4.605 17.876 18.366 1.00 15.75 O HETATM 2747 O HOH 29 4.989 20.036 16.438 1.00 18.04 O HETATM 2748 O HOH 30 -1.169 24.784 5.978 1.00 17.19 O HETATM 2749 O HOH 31 -8.090 18.922 -0.867 1.00 19.15 O HETATM 2750 O HOH 32 10.408 -0.318 26.737 1.00 15.07 O HETATM 2751 O HOH 33 -3.581 17.639 19.618 1.00 16.57 O HETATM 2752 O HOH 34 -4.837 5.588 0.545 1.00 21.85 O HETATM 2753 O HOH 35 -0.189 12.776 0.831 1.00 19.65 O HETATM 2754 O HOH 36 -1.228 -12.639 11.771 1.00 15.40 O HETATM 2755 O HOH 37 9.124 6.459 28.859 1.00 21.47 O HETATM 2756 O HOH 38 -3.274 -6.975 20.383 1.00 16.95 O HETATM 2757 O HOH 39 -0.132 -13.641 17.109 1.00 17.18 O HETATM 2758 O HOH 40 3.919 -6.934 3.923 1.00 19.82 O HETATM 2759 O HOH 41 -5.588 15.080 21.883 1.00 18.23 O HETATM 2760 O HOH 42 25.990 -2.419 7.550 1.00 21.44 O HETATM 2761 O HOH 43 20.431 0.005 0.903 1.00 21.52 O HETATM 2762 O HOH 44 26.976 1.221 9.912 1.00 22.03 O HETATM 2763 O HOH 45 2.915 8.686 -4.344 1.00 29.01 O HETATM 2764 O HOH 46 20.339 10.355 11.500 1.00 18.26 O HETATM 2765 O HOH 47 12.039 12.438 24.784 1.00 21.90 O HETATM 2766 O HOH 48 2.074 19.975 19.608 1.00 18.74 O HETATM 2767 O HOH 49 10.146 15.569 20.987 1.00 22.14 O HETATM 2768 O HOH 50 6.762 9.699 27.366 1.00 21.22 O HETATM 2769 O HOH 51 26.817 -6.300 9.231 1.00 23.85 O HETATM 2770 O HOH 52 7.620 7.262 26.536 1.00 17.96 O HETATM 2771 O HOH 53 -11.591 -3.128 27.569 1.00 25.99 O HETATM 2772 O HOH 54 -3.198 14.175 22.856 1.00 18.94 O HETATM 2773 O HOH 55 -2.318 16.225 -2.267 1.00 27.63 O HETATM 2774 O HOH 56 -6.871 -6.329 13.385 1.00 21.58 O HETATM 2775 O HOH 57 -9.321 15.876 11.233 1.00 16.58 O HETATM 2776 O HOH 58 -2.852 -11.442 20.614 1.00 21.35 O HETATM 2777 O HOH 59 5.268 19.532 20.772 1.00 20.14 O HETATM 2778 O HOH 60 12.941 -2.383 32.315 1.00 21.51 O HETATM 2779 O HOH 61 27.662 5.764 4.635 1.00 23.18 O HETATM 2780 O HOH 62 7.065 -14.232 12.827 1.00 25.73 O HETATM 2781 O HOH 63 -8.038 5.480 25.415 1.00 19.00 O HETATM 2782 O HOH 64 -3.706 5.680 -3.596 1.00 26.02 O HETATM 2783 O HOH 65 7.046 13.323 29.870 1.00 27.97 O HETATM 2784 O HOH 66 5.390 22.516 8.174 1.00 21.17 O HETATM 2785 O HOH 67 7.370 -13.261 15.316 1.00 18.98 O HETATM 2786 O HOH 68 3.519 21.536 21.295 1.00 19.81 O HETATM 2787 O HOH 69 2.274 20.527 15.896 1.00 19.30 O HETATM 2788 O HOH 70 -10.321 17.676 9.237 1.00 22.76 O HETATM 2789 O HOH 71 3.533 -0.144 1.859 1.00 17.62 O HETATM 2790 O HOH 72 4.969 -5.477 27.562 1.00 22.16 O HETATM 2791 O HOH 73 12.581 -10.242 24.250 1.00 22.77 O HETATM 2792 O HOH 74 22.687 9.756 19.827 1.00 22.54 O HETATM 2793 O HOH 75 -2.006 -4.147 8.788 1.00 23.90 O HETATM 2794 O HOH 76 -5.200 -8.118 18.744 1.00 23.27 O HETATM 2795 O HOH 77 10.301 -14.775 18.747 1.00 22.91 O HETATM 2796 O HOH 78 0.799 7.037 27.993 1.00 26.45 O HETATM 2797 O HOH 79 -11.245 16.766 3.450 1.00 25.90 O HETATM 2798 O HOH 80 -1.084 6.142 -2.823 1.00 16.66 O HETATM 2799 O HOH 81 -4.999 -8.495 15.747 1.00 19.73 O HETATM 2800 O HOH 82 6.462 -5.900 25.107 1.00 16.44 O HETATM 2801 O HOH 83 8.087 -13.073 28.037 1.00 24.58 O HETATM 2802 O HOH 84 -3.819 -9.326 13.365 1.00 21.52 O HETATM 2803 O HOH 85 17.676 13.519 11.784 1.00 21.61 O HETATM 2804 O HOH 86 7.655 15.612 -7.958 1.00 20.19 O HETATM 2805 O HOH 87 1.672 21.700 11.944 1.00 19.23 O HETATM 2806 O HOH 88 -9.591 4.814 28.601 1.00 25.57 O HETATM 2807 O HOH 89 7.567 22.276 6.199 1.00 27.03 O HETATM 2808 O HOH 90 20.803 -9.872 2.967 1.00 27.81 O HETATM 2809 O HOH 91 20.866 -16.956 15.065 1.00 33.69 O HETATM 2810 O HOH 92 -1.787 19.033 -2.245 1.00 23.32 O HETATM 2811 O HOH 93 20.900 -6.808 4.937 1.00 25.69 O HETATM 2812 O HOH 94 -2.453 -1.325 0.590 1.00 26.11 O HETATM 2813 O HOH 95 15.122 14.785 -1.093 1.00 24.98 O HETATM 2814 O HOH 96 -10.023 8.191 -0.032 1.00 25.56 O HETATM 2815 O HOH 97 0.904 11.305 27.445 1.00 19.77 O HETATM 2816 O HOH 98 22.626 3.224 22.258 1.00 23.76 O HETATM 2817 O HOH 99 -7.101 -5.222 31.124 1.00 27.64 O HETATM 2818 O HOH 100 -5.383 -3.424 31.519 1.00 29.80 O HETATM 2819 O HOH 101 19.367 1.595 -1.079 1.00 26.89 O HETATM 2820 O HOH 102 12.834 6.653 29.939 1.00 24.15 O HETATM 2821 O HOH 103 12.028 15.189 5.722 1.00 23.13 O HETATM 2822 O HOH 104 -3.642 13.936 25.488 1.00 30.26 O HETATM 2823 O HOH 105 -12.817 -5.726 9.520 1.00 30.65 O HETATM 2824 O HOH 106 -5.567 25.542 10.132 1.00 23.69 O HETATM 2825 O HOH 107 4.397 0.902 -2.314 1.00 36.28 O HETATM 2826 O HOH 108 19.902 4.281 -2.819 1.00 24.53 O HETATM 2827 O HOH 109 3.240 12.879 -4.516 1.00 22.15 O HETATM 2828 O HOH 110 8.820 -13.390 8.390 1.00 28.22 O HETATM 2829 O HOH 111 4.815 -11.715 7.318 1.00 29.50 O HETATM 2830 O HOH 112 27.495 -1.761 5.617 1.00 27.73 O HETATM 2831 O HOH 113 11.747 -11.392 21.602 1.00 21.06 O HETATM 2832 O HOH 114 8.935 -16.183 12.775 1.00 29.86 O HETATM 2833 O HOH 115 11.846 21.774 5.928 1.00 29.72 O HETATM 2834 O HOH 116 3.407 15.620 29.505 1.00 25.99 O HETATM 2835 O HOH 117 13.585 19.419 0.654 1.00 29.81 O HETATM 2836 O HOH 118 17.673 10.308 -6.342 1.00 30.72 O HETATM 2837 O HOH 119 10.627 -0.199 31.349 1.00 26.05 O HETATM 2838 O HOH 120 7.550 -11.012 7.374 1.00 21.25 O HETATM 2839 O HOH 121 -4.588 22.658 7.092 1.00 23.52 O HETATM 2840 O HOH 122 22.079 -5.649 2.485 1.00 28.01 O HETATM 2841 O HOH 123 5.518 21.784 10.787 1.00 21.68 O HETATM 2842 O HOH 124 29.985 6.258 3.948 1.00 29.11 O HETATM 2843 O HOH 125 -8.865 17.998 7.513 1.00 21.77 O HETATM 2844 O HOH 126 -5.336 17.565 3.874 1.00 20.93 O HETATM 2845 O HOH 127 10.941 -16.291 9.622 1.00 34.06 O HETATM 2846 O HOH 128 -2.941 7.944 26.864 1.00 29.96 O HETATM 2847 O HOH 129 30.323 1.785 18.003 1.00 38.49 O HETATM 2848 O HOH 130 -4.585 18.018 22.040 1.00 31.68 O HETATM 2849 O HOH 131 -5.471 17.813 6.766 1.00 26.12 O HETATM 2850 O HOH 132 11.027 12.565 6.640 1.00 18.54 O HETATM 2851 O HOH 133 -17.881 8.548 5.174 1.00 35.17 O HETATM 2852 O HOH 134 9.147 20.086 19.283 1.00 25.89 O HETATM 2853 O HOH 135 28.644 -0.167 8.082 1.00 26.87 O HETATM 2854 O HOH 136 -10.217 16.382 15.266 1.00 28.27 O HETATM 2855 O HOH 137 5.232 -9.504 5.050 1.00 27.67 O HETATM 2856 O HOH 138 -12.260 10.260 24.332 1.00 34.22 O HETATM 2857 O HOH 139 8.795 17.448 19.869 1.00 23.51 O HETATM 2858 O HOH 140 8.169 18.174 24.751 1.00 29.32 O HETATM 2859 O HOH 141 13.811 -11.784 19.695 1.00 28.52 O HETATM 2860 O HOH 142 -17.457 2.743 14.787 1.00 26.46 O HETATM 2861 O HOH 143 9.452 -14.665 16.067 1.00 19.82 O HETATM 2862 O HOH 144 -9.182 11.160 26.476 1.00 35.54 O HETATM 2863 O HOH 145 13.033 22.983 7.492 1.00 34.46 O HETATM 2864 O HOH 146 -10.442 14.977 18.650 1.00 32.23 O HETATM 2865 O HOH 147 16.617 11.765 -8.549 1.00 34.03 O HETATM 2866 O HOH 148 -12.557 15.321 5.481 1.00 29.36 O HETATM 2867 O HOH 149 17.208 -2.577 28.434 1.00 31.15 O HETATM 2868 O HOH 150 20.439 -3.407 21.992 1.00 29.72 O HETATM 2869 O HOH 151 22.339 -8.283 1.490 1.00 28.89 O HETATM 2870 O HOH 152 4.004 -8.128 1.412 1.00 35.48 O HETATM 2871 O HOH 153 -11.325 15.205 12.493 1.00 26.60 O HETATM 2872 O HOH 154 -4.110 25.423 6.625 1.00 30.84 O HETATM 2873 O HOH 155 -2.511 15.026 -4.720 1.00 34.70 O HETATM 2874 O HOH 156 -11.502 4.433 -0.291 1.00 32.66 O HETATM 2875 O HOH 157 8.058 3.081 -1.156 1.00 23.29 O HETATM 2876 O HOH 158 -0.070 -2.209 -0.438 1.00 23.43 O HETATM 2877 O HOH 159 11.511 12.734 -6.997 1.00 23.94 O HETATM 2878 O HOH 160 17.076 -0.185 25.645 1.00 30.42 O HETATM 2879 O HOH 161 14.705 -6.473 31.032 1.00 25.75 O HETATM 2880 O HOH 162 17.296 -20.554 17.339 1.00 32.18 O HETATM 2881 O HOH 163 -10.313 15.779 -3.649 1.00 31.52 O HETATM 2882 O HOH 164 17.627 7.161 25.237 1.00 27.11 O HETATM 2883 O HOH 165 15.374 10.718 24.509 1.00 26.13 O HETATM 2884 O HOH 166 -2.393 12.409 27.731 1.00 29.37 O HETATM 2885 O HOH 167 0.846 5.899 -4.710 1.00 27.87 O HETATM 2886 O HOH 168 -3.871 16.560 25.978 1.00 30.92 O HETATM 2887 O HOH 169 -12.233 4.784 29.667 1.00 35.04 O HETATM 2888 O HOH 170 8.290 11.568 28.074 1.00 26.70 O HETATM 2889 O HOH 171 -3.256 -4.327 33.047 1.00 35.44 O HETATM 2890 O HOH 172 16.297 -15.330 16.225 1.00 28.57 O HETATM 2891 O HOH 173 16.881 -15.127 18.854 1.00 30.16 O HETATM 2892 O HOH 174 -4.300 20.584 -2.498 1.00 29.16 O HETATM 2893 O HOH 175 7.107 20.894 18.655 1.00 29.98 O HETATM 2894 O HOH 176 12.099 19.319 -3.939 1.00 30.89 O HETATM 2895 O HOH 177 24.130 -16.982 5.250 1.00 31.37 O HETATM 2896 O HOH 178 -5.112 10.804 -4.933 1.00 31.58 O HETATM 2897 O HOH 179 19.806 0.538 25.581 1.00 32.02 O HETATM 2898 O HOH 180 7.475 -0.287 30.684 1.00 29.40 O HETATM 2899 O HOH 181 -14.188 4.138 22.529 1.00 32.02 O HETATM 2900 O HOH 182 19.886 -6.135 25.605 1.00 34.98 O HETATM 2901 O HOH 183 15.972 19.110 -1.440 1.00 36.04 O HETATM 2902 O HOH 184 4.755 5.817 29.682 1.00 30.55 O HETATM 2903 O HOH 185 22.846 11.349 16.704 1.00 24.98 O HETATM 2904 O HOH 186 27.694 -3.850 9.375 1.00 30.01 O HETATM 2905 O HOH 187 17.728 -11.351 0.156 1.00 35.50 O HETATM 2906 O HOH 188 15.147 10.102 27.162 1.00 29.97 O HETATM 2907 O HOH 189 15.912 -13.425 20.912 1.00 40.18 O HETATM 2908 O HOH 190 -3.729 -3.034 2.139 1.00 27.97 O HETATM 2909 O HOH 191 -10.466 17.339 -5.403 1.00 33.54 O HETATM 2910 O HOH 192 -2.745 26.679 -2.676 1.00 31.18 O HETATM 2911 O HOH 193 -9.574 -6.034 10.121 1.00 29.50 O HETATM 2912 O HOH 194 6.429 -9.802 28.828 1.00 32.91 O HETATM 2913 O HOH 195 -9.729 13.136 3.540 1.00 31.43 O HETATM 2914 O HOH 196 6.838 -13.841 10.193 1.00 36.66 O HETATM 2915 O HOH 197 -13.833 6.267 1.350 1.00 40.64 O HETATM 2916 O HOH 198 4.175 -12.843 9.992 1.00 31.13 O HETATM 2917 O HOH 199 -3.662 13.048 -4.057 1.00 30.53 O HETATM 2918 O HOH 200 -6.081 12.981 25.437 1.00 33.86 O HETATM 2919 O HOH 201 13.469 -15.775 16.141 1.00 32.03 O HETATM 2920 O HOH 202 26.650 -4.801 2.113 1.00 40.37 O HETATM 2921 O HOH 203 -12.245 -5.093 7.130 1.00 32.52 O HETATM 2922 O HOH 204 25.490 -17.806 7.952 1.00 34.64 O HETATM 2923 O HOH 205 -2.996 17.097 -5.860 1.00 34.31 O HETATM 2924 O HOH 206 -22.086 5.522 15.261 1.00 35.42 O HETATM 2925 O HOH 207 -19.460 -3.843 6.976 1.00 28.30 O HETATM 2926 O HOH 208 -6.844 -9.982 15.926 1.00 33.59 O HETATM 2927 O HOH 209 19.282 -18.741 11.545 1.00 38.56 O HETATM 2928 O HOH 210 30.669 1.765 15.576 1.00 28.41 O HETATM 2929 O HOH 211 23.036 9.721 9.031 1.00 20.17 O HETATM 2930 O HOH 212 22.895 11.391 10.955 1.00 27.55 O HETATM 2931 O HOH 213 6.037 23.231 -2.895 1.00 24.15 O HETATM 2932 O HOH 214 -4.341 12.313 -1.497 1.00 21.65 O HETATM 2933 O HOH 215 25.317 5.727 1.045 1.00 30.17 O HETATM 2934 O HOH 216 8.015 13.957 19.968 1.00 21.36 O HETATM 2935 O HOH 217 13.247 -14.070 18.365 1.00 31.49 O HETATM 2936 O HOH 218 27.172 4.014 2.778 1.00 28.86 O HETATM 2937 O HOH 219 8.992 17.598 -9.338 1.00 31.55 O HETATM 2938 O HOH 220 6.901 23.175 -5.362 1.00 31.40 O HETATM 2939 O HOH 221 25.744 -17.849 20.880 1.00 36.03 O HETATM 2940 O HOH 222 -21.457 11.738 12.150 1.00 36.96 O HETATM 2941 O HOH 223 -25.715 4.930 2.630 1.00 29.60 O HETATM 2942 O HOH 224 2.602 9.660 29.177 1.00 31.19 O HETATM 2943 O HOH 225 -9.202 -6.813 13.577 1.00 30.33 O HETATM 2944 O HOH 226 24.939 -6.927 21.382 1.00 34.06 O HETATM 2945 O HOH 227 5.987 -10.729 0.699 1.00 32.04 O HETATM 2946 O HOH 228 6.950 -9.178 31.103 1.00 42.25 O HETATM 2947 O HOH 229 -12.896 16.703 7.890 1.00 36.60 O HETATM 2948 O HOH 230 -0.040 -15.135 8.151 1.00 25.79 O HETATM 2949 O HOH 231 20.782 -5.861 23.136 1.00 35.89 O HETATM 2950 O HOH 232 15.497 -4.199 2.249 1.00 32.47 O HETATM 2951 O HOH 233 28.866 -16.571 14.660 1.00 36.78 O HETATM 2952 O HOH 234 28.934 -16.016 16.966 1.00 37.17 O HETATM 2953 O HOH 235 18.198 -5.948 4.130 1.00 29.29 O HETATM 2954 O HOH 236 17.375 -3.713 3.321 1.00 34.76 O HETATM 2955 O HOH 237 29.097 -19.393 13.396 1.00 37.11 O HETATM 2956 O HOH 238 22.642 -12.860 23.089 1.00 35.93 O HETATM 2957 O HOH 239 7.729 -18.728 11.627 1.00 29.38 O HETATM 2958 O HOH 240 30.046 -14.744 13.339 1.00 35.72 O HETATM 2959 O HOH 241 35.064 4.316 18.643 1.00 35.16 O HETATM 2960 O HOH 242 -9.652 13.536 21.345 1.00 28.07 O HETATM 2961 O HOH 243 21.268 -20.612 14.760 1.00 42.07 O HETATM 2962 O HOH 244 22.753 14.323 9.250 1.00 41.79 O HETATM 2963 O HOH 245 -10.154 -7.205 17.160 1.00 43.95 O HETATM 2964 O HOH 246 9.157 2.963 31.369 1.00 39.70 O HETATM 2965 O HOH 247 9.300 13.416 -8.239 1.00 34.27 O HETATM 2966 O HOH 248 29.686 -6.582 2.759 1.00 30.00 O HETATM 2967 O HOH 249 15.068 17.188 13.091 1.00 18.97 O HETATM 2968 O HOH 250 12.481 24.471 15.228 1.00 23.12 O HETATM 2969 O HOH 251 5.752 22.477 13.585 1.00 22.32 O HETATM 2970 O HOH 252 13.407 23.033 9.748 1.00 24.26 O HETATM 2971 O HOH 253 15.778 20.164 15.446 1.00 29.05 O HETATM 2972 O HOH 254 13.296 21.840 17.199 1.00 30.53 O HETATM 2973 O HOH 255 11.634 26.312 12.685 1.00 28.08 O HETATM 2974 O HOH 256 15.870 21.807 10.895 1.00 32.76 O HETATM 2975 O HOH 257 13.571 25.492 11.164 1.00 29.42 O HETATM 2976 O HOH 258 16.816 19.958 19.542 1.00 31.42 O HETATM 2977 N PHE A 259 6.436 27.091 12.674 1.00 0.24 N HETATM 2978 CA PHE A 259 6.510 25.614 12.578 1.00 0.07 C HETATM 2979 C PHE A 259 7.885 25.194 13.043 1.00 0.23 C HETATM 2980 O PHE A 259 8.875 25.830 12.690 1.00 -0.39 O HETATM 2981 N PHE A 259 7.929 24.135 13.850 1.00 -0.26 N HETATM 2982 CA PHE A 259 9.141 23.709 14.543 1.00 0.15 C HETATM 2983 C PHE A 259 9.765 22.482 13.888 1.00 0.21 C HETATM 2984 O PHE A 259 9.047 21.661 13.332 1.00 -0.39 O HETATM 2985 N PHE A 259 11.096 22.380 13.953 1.00 -0.26 N HETATM 2986 CA PHE A 259 11.804 21.153 13.563 1.00 0.13 C HETATM 2987 C PHE A 259 11.607 20.083 14.609 1.00 0.20 C HETATM 2988 O PHE A 259 11.408 20.380 15.791 1.00 -0.39 O HETATM 2989 N PHE A 259 11.705 18.832 14.171 1.00 -0.26 N HETATM 2990 CA PHE A 259 11.752 17.716 15.118 1.00 0.15 C HETATM 2991 C PHE A 259 12.999 17.887 15.995 1.00 0.21 C HETATM 2992 O PHE A 259 14.104 17.878 15.448 1.00 -0.39 O HETATM 2993 N PHE A 259 12.828 17.972 17.332 1.00 -0.25 N HETATM 2994 CA PHE A 259 13.964 18.188 18.228 1.00 0.13 C HETATM 2995 C PHE A 259 15.028 17.107 18.164 1.00 0.20 C HETATM 2996 O PHE A 259 14.728 15.985 17.782 1.00 -0.39 O HETATM 2997 N PHE A 259 16.266 17.444 18.513 1.00 -0.27 N HETATM 2998 CA PHE A 259 17.317 16.431 18.669 1.00 0.12 C HETATM 2999 C PHE A 259 17.266 15.796 20.062 1.00 0.06 C HETATM 3000 O PHE A 259 16.786 16.420 21.016 1.00 -0.57 O HETATM 3001 OXT PHE A 259 17.704 14.654 20.245 1.00 -0.57 O HETATM 3002 CB PHE A 259 18.689 17.059 18.434 1.00 0.08 C HETATM 3003 OG PHE A 259 18.550 18.333 17.826 1.00 -0.39 O HETATM 3004 H41 PHE A 259 18.042 18.900 18.394 1.00 0.21 H HETATM 3005 H39 PHE A 259 19.279 16.405 17.775 1.00 0.06 H HETATM 3006 H40 PHE A 259 19.206 17.172 19.398 1.00 0.06 H HETATM 3007 H38 PHE A 259 17.156 15.643 17.919 1.00 0.07 H HETATM 3008 H37 PHE A 259 16.485 18.407 18.672 1.00 0.19 H HETATM 3009 CB PHE A 259 13.309 18.201 19.611 1.00 -0.01 C HETATM 3010 CG PHE A 259 11.938 18.564 19.401 1.00 -0.03 C HETATM 3011 CD PHE A 259 11.555 17.972 18.064 1.00 0.04 C HETATM 3012 H35 PHE A 259 11.165 16.950 18.180 1.00 0.05 H HETATM 3013 H36 PHE A 259 10.805 18.595 17.555 1.00 0.05 H HETATM 3014 H33 PHE A 259 11.831 19.659 19.380 1.00 0.03 H HETATM 3015 H34 PHE A 259 11.305 18.149 20.199 1.00 0.03 H HETATM 3016 H31 PHE A 259 13.803 18.939 20.260 1.00 0.03 H HETATM 3017 H32 PHE A 259 13.373 17.205 20.073 1.00 0.03 H HETATM 3018 H30 PHE A 259 14.436 19.157 18.009 1.00 0.08 H HETATM 3019 CB PHE A 259 11.794 16.427 14.308 1.00 0.04 C HETATM 3020 CG PHE A 259 11.575 15.128 15.052 1.00 -0.00 C HETATM 3021 CD1 PHE A 259 12.303 14.002 14.705 1.00 -0.02 C HETATM 3022 CE1 PHE A 259 12.085 12.786 15.336 1.00 0.01 C HETATM 3023 CZ PHE A 259 11.126 12.668 16.314 1.00 0.17 C HETATM 3024 CE2 PHE A 259 10.385 13.785 16.669 1.00 0.01 C HETATM 3025 CD2 PHE A 259 10.604 14.991 16.038 1.00 -0.02 C HETATM 3026 H27 PHE A 259 10.006 15.851 16.317 1.00 0.07 H HETATM 3027 H29 PHE A 259 9.632 13.710 17.445 1.00 0.07 H HETATM 3028 OH PHE A 259 10.994 11.436 16.866 1.00 -0.20 O HETATM 3029 P PHE A 259 10.018 10.277 16.301 1.00 0.13 P HETATM 3030 O1P PHE A 259 10.159 10.228 14.814 1.00 -0.67 O HETATM 3031 O2P PHE A 259 10.580 9.022 16.963 1.00 -0.67 O HETATM 3032 O3P PHE A 259 8.607 10.616 16.795 1.00 -0.67 O HETATM 3033 H28 PHE A 259 12.676 11.921 15.056 1.00 0.07 H HETATM 3034 H26 PHE A 259 13.055 14.072 13.928 1.00 0.07 H HETATM 3035 H24 PHE A 259 12.783 16.370 13.830 1.00 0.06 H HETATM 3036 H25 PHE A 259 11.016 16.499 13.534 1.00 0.06 H HETATM 3037 H23 PHE A 259 10.855 17.719 15.755 1.00 0.08 H HETATM 3038 H22 PHE A 259 11.747 18.652 13.188 1.00 0.19 H HETATM 3039 CB PHE A 259 13.286 21.398 13.393 1.00 -0.02 C HETATM 3040 H19 PHE A 259 13.782 20.460 13.102 1.00 0.03 H HETATM 3041 H20 PHE A 259 13.710 21.757 14.342 1.00 0.03 H HETATM 3042 H21 PHE A 259 13.445 22.155 12.611 1.00 0.03 H HETATM 3043 H18 PHE A 259 11.391 20.801 12.606 1.00 0.08 H HETATM 3044 H17 PHE A 259 11.627 23.163 14.277 1.00 0.19 H HETATM 3045 CB PHE A 259 8.819 23.376 16.010 1.00 0.08 C HETATM 3046 OG PHE A 259 8.268 24.482 16.692 1.00 -0.39 O HETATM 3047 H16 PHE A 259 8.083 24.238 17.591 1.00 0.21 H HETATM 3048 H14 PHE A 259 9.746 23.071 16.517 1.00 0.06 H HETATM 3049 H15 PHE A 259 8.097 22.547 16.036 1.00 0.06 H HETATM 3050 H13 PHE A 259 9.868 24.534 14.513 1.00 0.08 H HETATM 3051 H12 PHE A 259 7.091 23.606 13.988 1.00 0.19 H HETATM 3052 CB PHE A 259 6.234 25.144 11.148 1.00 0.04 C HETATM 3053 CG PHE A 259 4.854 25.509 10.647 1.00 -0.04 C HETATM 3054 CD1 PHE A 259 3.731 25.158 11.372 1.00 -0.06 C HETATM 3055 CE1 PHE A 259 2.459 25.518 10.939 1.00 -0.07 C HETATM 3056 CZ PHE A 259 2.308 26.199 9.781 1.00 -0.07 C HETATM 3057 CE2 PHE A 259 3.425 26.593 9.056 1.00 -0.07 C HETATM 3058 CD2 PHE A 259 4.694 26.236 9.489 1.00 -0.06 C HETATM 3059 H8 PHE A 259 5.564 26.531 8.913 1.00 0.06 H HETATM 3060 H10 PHE A 259 3.306 27.179 8.152 1.00 0.06 H HETATM 3061 H11 PHE A 259 1.315 26.438 9.418 1.00 0.06 H HETATM 3062 H9 PHE A 259 1.590 25.253 11.530 1.00 0.06 H HETATM 3063 H7 PHE A 259 3.843 24.594 12.291 1.00 0.06 H HETATM 3064 H5 PHE A 259 6.338 24.049 11.115 1.00 0.05 H HETATM 3065 H6 PHE A 259 6.979 25.603 10.481 1.00 0.05 H HETATM 3066 H4 PHE A 259 5.754 25.170 13.242 1.00 0.11 H HETATM 3067 H1 PHE A 259 5.527 27.402 12.369 1.00 0.20 H HETATM 3068 H2 PHE A 259 7.146 27.502 12.088 1.00 0.20 H HETATM 3069 H3 PHE A 259 6.585 27.373 13.630 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2977 2978 3067 3068 3069 CONECT 2978 2977 2979 3052 3066 CONECT 2979 2978 2980 2981 CONECT 2980 2979 CONECT 2981 2979 2982 3051 CONECT 2982 2981 2983 3045 3050 CONECT 2983 2982 2984 2985 CONECT 2984 2983 CONECT 2985 2983 2986 3044 CONECT 2986 2985 2987 3039 3043 CONECT 2987 2986 2988 2989 CONECT 2988 2987 CONECT 2989 2987 2990 3038 CONECT 2990 2989 2991 3019 3037 CONECT 2991 2990 2992 2993 CONECT 2992 2991 CONECT 2993 2991 2994 3011 CONECT 2994 2993 2995 3009 3018 CONECT 2995 2994 2996 2997 CONECT 2996 2995 CONECT 2997 2995 2998 3008 CONECT 2998 2997 2999 3002 3007 CONECT 2999 2998 3000 3001 CONECT 3000 2999 CONECT 3001 2999 CONECT 3002 2998 3003 3005 3006 CONECT 3003 3002 3004 CONECT 3004 3003 CONECT 3005 3002 CONECT 3006 3002 CONECT 3007 2998 CONECT 3008 2997 CONECT 3009 2994 3010 3016 3017 CONECT 3010 3009 3011 3014 3015 CONECT 3011 2993 3010 3012 3013 CONECT 3012 3011 CONECT 3013 3011 CONECT 3014 3010 CONECT 3015 3010 CONECT 3016 3009 CONECT 3017 3009 CONECT 3018 2994 CONECT 3019 2990 3020 3035 3036 CONECT 3020 3019 3021 3025 CONECT 3021 3020 3022 3034 CONECT 3022 3021 3023 3033 CONECT 3023 3022 3024 3028 CONECT 3024 3023 3025 3027 CONECT 3025 3020 3024 3026 CONECT 3026 3025 CONECT 3027 3024 CONECT 3028 3023 3029 CONECT 3029 3028 3030 3031 3032 CONECT 3030 3029 CONECT 3031 3029 CONECT 3032 3029 CONECT 3033 3022 CONECT 3034 3021 CONECT 3035 3019 CONECT 3036 3019 CONECT 3037 2990 CONECT 3038 2989 CONECT 3039 2986 3040 3041 3042 CONECT 3040 3039 CONECT 3041 3039 CONECT 3042 3039 CONECT 3043 2986 CONECT 3044 2985 CONECT 3045 2982 3046 3048 3049 CONECT 3046 3045 3047 CONECT 3047 3046 CONECT 3048 3045 CONECT 3049 3045 CONECT 3050 2982 CONECT 3051 2981 CONECT 3052 2978 3053 3064 3065 CONECT 3053 3052 3054 3058 CONECT 3054 3053 3055 3063 CONECT 3055 3054 3056 3062 CONECT 3056 3055 3057 3061 CONECT 3057 3056 3058 3060 CONECT 3058 3053 3057 3059 CONECT 3059 3058 CONECT 3060 3057 CONECT 3061 3056 CONECT 3062 3055 CONECT 3063 3054 CONECT 3064 3052 CONECT 3065 3052 CONECT 3066 2978 CONECT 3067 2977 CONECT 3068 2977 CONECT 3069 2977 MASTER 0 0 0 0 0 0 0 0 3068 1 97 22 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4rh5
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
4rh5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PTPN3 (PTPH1) D811A, C842S mutant
Ligand Name
9-mer
EC.Number
E.C.3.1.3.48
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=127.3nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 653-664
Ligand Properties
Formula
C
3
2
H
4
5
N
6
O
1
3
P
Molecular Weight
752.706
Exact Mass
752.278
No. of atoms
97
No. of bonds
99
Polar Surface Area
325.62
LOGP Value
-3.82 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)Cc1ccc(cc1)OP(O)(O)O)C)NC(=O)[C@H](Cc1ccccc1)[NH3+]
InChI String
InChI=1S/C32H45N6O13P/c1-18(34-29(43)24(16-39)36-28(42)22(33)14-19-6-3-2-4-7-19)27(41)35-23(15-20-9-11-21(12-10-20)51-52(48,49)50)31(45)38-13-5-8-26(38)30(44)37-25(17-40)32(46)47/h2-4,6-7,9-12,18,22-26,39-40,48-50,52H,5,8,13-17,33H2,1H3,(H,34,43)(H,35,41)(H,36,42)(H,37,44)(H,46,47)/p+1/t18-,22-,23-,24-,25-,26-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P42566
P26045
Entrez Gene ID
NCBI Entrez Gene ID:
2060
5774
ASD
Information of known allosteric effects of PDB entries
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