Browse entries in the PDBbind-CN Database
HEADER 6FIL_COMPLEX COMPND 6FIL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 29 ASP PHE PRO ARG SER ARG LEU ARG PHE LYS GLU LYS LEU SEQRES 2 A 29 GLY GLU GLY GLN PHE GLY GLU VAL HIS LEU CYS GLU VAL SEQRES 3 A 29 ASP SER PRO SEQRES 1 A 258 PRO LEU LEU VAL ALA VAL LYS ILE LEU ARG PRO ASP ALA SEQRES 2 A 258 THR LYS ASN ALA ARG ASN ASP PHE LEU LYS GLU VAL LYS SEQRES 3 A 258 ILE MET SER ARG LEU LYS ASP PRO ASN ILE ILE ARG LEU SEQRES 4 A 258 LEU GLY VAL CYS VAL GLN ASP ASP PRO LEU CYS MET ILE SEQRES 5 A 258 THR ASP TYR MET GLU ASN GLY ASP LEU ASN GLN PHE LEU SEQRES 6 A 258 SER ALA HIS GLN LEU GLU ASP LYS ALA ALA GLU GLY ALA SEQRES 7 A 258 PRO GLY ASP PRO THR ILE SER TYR PRO MET LEU LEU HIS SEQRES 8 A 258 VAL ALA ALA GLN ILE ALA SER GLY MET ARG TYR LEU ALA SEQRES 9 A 258 THR LEU ASN PHE VAL HIS ARG ASP LEU ALA THR ARG ASN SEQRES 10 A 258 CYS LEU VAL GLY GLU ASN PHE THR ILE LYS ILE ALA ASP SEQRES 11 A 258 PHE GLY MET SER ARG ASN LEU TYR ALA GLY ASP TYR TYR SEQRES 12 A 258 ARG VAL GLN GLY ARG ALA VAL LEU PRO ILE ARG TRP MET SEQRES 13 A 258 ALA TRP GLU CYS ILE LEU MET GLY LYS PHE THR THR ALA SEQRES 14 A 258 SER ASP VAL TRP ALA PHE GLY VAL THR LEU TRP GLU VAL SEQRES 15 A 258 LEU MET LEU CYS ARG ALA GLN PRO PHE GLY GLN LEU THR SEQRES 16 A 258 ASP GLU GLN VAL ILE GLU ASN ALA GLY GLU PHE PHE ARG SEQRES 17 A 258 ASP GLN GLY ARG GLN VAL TYR LEU SER ARG PRO PRO ALA SEQRES 18 A 258 CYS PRO GLN GLY LEU TYR GLU LEU MET LEU ARG CYS TRP SEQRES 19 A 258 SER ARG GLU SER GLU GLN ARG PRO PRO PHE SER GLN LEU SEQRES 20 A 258 HIS ARG PHE LEU ALA GLU ASP ALA LEU ASN THR HET D A 6W 59 SSBOND 1 CYS A 691 CYS A 698 ATOM 1 N ASP A 604 36.508 10.617 -1.640 1.00 70.10 N ATOM 2 CA ASP A 604 36.470 11.702 -2.614 1.00 74.03 C ATOM 3 C ASP A 604 35.325 12.679 -2.344 1.00 68.60 C ATOM 4 O ASP A 604 35.405 13.847 -2.721 1.00 64.69 O ATOM 5 CB ASP A 604 36.349 11.145 -4.037 1.00 78.90 C ATOM 6 CG ASP A 604 37.656 11.222 -4.809 1.00 86.60 C ATOM 7 OD1 ASP A 604 38.728 11.050 -4.190 1.00 90.34 O ATOM 8 OD2 ASP A 604 37.611 11.457 -6.036 1.00 88.50 O ATOM 9 HN3 ASP A 604 35.614 10.087 -1.678 1.00 0.00 H ATOM 10 HN2 ASP A 604 36.637 11.013 -0.687 1.00 0.00 H ATOM 11 HN1 ASP A 604 37.300 9.980 -1.863 1.00 0.00 H ATOM 12 N PHE A 605 34.264 12.208 -1.695 1.00 59.87 N ATOM 13 CA PHE A 605 33.091 13.052 -1.485 1.00 56.01 C ATOM 14 C PHE A 605 33.039 13.644 -0.079 1.00 55.46 C ATOM 15 O PHE A 605 33.164 12.921 0.906 1.00 52.52 O ATOM 16 CB PHE A 605 31.810 12.264 -1.763 1.00 55.35 C ATOM 17 CG PHE A 605 30.578 13.115 -1.782 1.00 59.52 C ATOM 18 CD1 PHE A 605 30.255 13.862 -2.903 1.00 61.72 C ATOM 19 CD2 PHE A 605 29.749 13.184 -0.676 1.00 57.20 C ATOM 20 CE1 PHE A 605 29.125 14.655 -2.924 1.00 61.70 C ATOM 21 CE2 PHE A 605 28.618 13.975 -0.693 1.00 59.15 C ATOM 22 CZ PHE A 605 28.306 14.711 -1.817 1.00 60.39 C ATOM 23 H PHE A 605 34.270 11.232 -1.335 1.00 0.00 H ATOM 24 N PRO A 606 32.857 14.973 0.014 1.00 58.38 N ATOM 25 CA PRO A 606 32.719 15.666 1.301 1.00 54.12 C ATOM 26 C PRO A 606 31.403 15.303 1.982 1.00 46.74 C ATOM 27 O PRO A 606 30.347 15.419 1.360 1.00 49.36 O ATOM 28 CB PRO A 606 32.736 17.152 0.915 1.00 58.67 C ATOM 29 CG PRO A 606 33.205 17.193 -0.519 1.00 59.30 C ATOM 30 CD PRO A 606 32.765 15.904 -1.122 1.00 56.01 C ATOM 31 N ARG A 607 31.464 14.881 3.239 1.00 48.27 N ATOM 32 CA ARG A 607 30.268 14.446 3.954 1.00 50.61 C ATOM 33 C ARG A 607 29.353 15.622 4.285 1.00 51.26 C ATOM 34 O ARG A 607 28.141 15.454 4.429 1.00 44.69 O ATOM 35 CB ARG A 607 30.650 13.699 5.235 1.00 52.15 C ATOM 36 CG ARG A 607 29.467 13.090 5.979 1.00 53.01 C ATOM 37 CD ARG A 607 29.899 12.469 7.297 1.00 56.56 C ATOM 38 NE ARG A 607 28.765 12.203 8.181 1.00 56.84 N ATOM 39 CZ ARG A 607 28.269 10.994 8.429 1.00 55.25 C ATOM 40 NH1 ARG A 607 27.238 10.857 9.252 1.00 54.54 N ATOM 41 NH2 ARG A 607 28.806 9.920 7.865 1.00 54.08 N ATOM 42 HE ARG A 607 28.315 13.016 8.648 1.00 0.00 H ATOM 43 HH12 ARG A 607 26.850 9.912 9.446 1.00 0.00 H ATOM 44 HH11 ARG A 607 26.818 11.695 9.703 1.00 0.00 H ATOM 45 HH22 ARG A 607 28.414 8.977 8.063 1.00 0.00 H ATOM 46 HH21 ARG A 607 29.619 10.021 7.225 1.00 0.00 H ATOM 47 H ARG A 607 32.383 14.860 3.725 1.00 0.00 H ATOM 48 N SER A 608 29.933 16.815 4.392 1.00 52.22 N ATOM 49 CA SER A 608 29.175 18.018 4.744 1.00 49.09 C ATOM 50 C SER A 608 28.130 18.395 3.689 1.00 51.32 C ATOM 51 O SER A 608 27.242 19.209 3.947 1.00 52.53 O ATOM 52 CB SER A 608 30.128 19.194 4.972 1.00 49.19 C ATOM 53 OG SER A 608 30.859 19.489 3.795 1.00 52.37 O ATOM 54 HG SER A 608 31.467 20.251 3.968 1.00 0.00 H ATOM 55 H SER A 608 30.956 16.896 4.220 1.00 0.00 H ATOM 56 N ARG A 609 28.239 17.800 2.505 1.00 46.25 N ATOM 57 CA ARG A 609 27.316 18.072 1.408 1.00 45.40 C ATOM 58 C ARG A 609 26.060 17.208 1.475 1.00 45.43 C ATOM 59 O ARG A 609 25.147 17.373 0.668 1.00 43.71 O ATOM 60 CB ARG A 609 28.005 17.834 0.066 1.00 61.74 C ATOM 61 CG ARG A 609 29.407 18.384 -0.025 1.00 71.52 C ATOM 62 CD ARG A 609 29.399 19.871 -0.298 1.00 83.09 C ATOM 63 NE ARG A 609 30.715 20.328 -0.730 1.00 91.54 N ATOM 64 CZ ARG A 609 31.177 20.191 -1.969 1.00 93.20 C ATOM 65 NH1 ARG A 609 30.425 19.612 -2.897 1.00 93.85 N ATOM 66 NH2 ARG A 609 32.388 20.631 -2.281 1.00 91.27 N ATOM 67 HE ARG A 609 31.328 20.788 -0.027 1.00 0.00 H ATOM 68 HH12 ARG A 609 30.786 19.505 -3.866 1.00 0.00 H ATOM 69 HH11 ARG A 609 29.475 19.266 -2.655 1.00 0.00 H ATOM 70 HH22 ARG A 609 32.747 20.522 -3.251 1.00 0.00 H ATOM 71 HH21 ARG A 609 32.979 21.085 -1.556 1.00 0.00 H ATOM 72 H ARG A 609 29.009 17.117 2.356 1.00 0.00 H ATOM 73 N LEU A 610 26.039 16.261 2.412 1.00 37.23 N ATOM 74 CA LEU A 610 24.869 15.415 2.621 1.00 39.95 C ATOM 75 C LEU A 610 23.908 16.022 3.641 1.00 41.41 C ATOM 76 O LEU A 610 24.329 16.582 4.652 1.00 42.50 O ATOM 77 CB LEU A 610 25.294 14.018 3.083 1.00 39.76 C ATOM 78 CG LEU A 610 26.259 13.258 2.178 1.00 33.24 C ATOM 79 CD1 LEU A 610 26.721 11.981 2.854 1.00 36.93 C ATOM 80 CD2 LEU A 610 25.599 12.933 0.848 1.00 34.51 C ATOM 81 H LEU A 610 26.878 16.121 3.010 1.00 0.00 H ATOM 82 N ARG A 611 22.617 15.913 3.353 1.00 39.13 N ATOM 83 CA ARG A 611 21.567 16.261 4.303 1.00 40.96 C ATOM 84 C ARG A 611 20.723 15.015 4.553 1.00 39.10 C ATOM 85 O ARG A 611 19.999 14.572 3.656 1.00 34.47 O ATOM 86 CB ARG A 611 20.695 17.405 3.770 1.00 45.77 C ATOM 87 CG ARG A 611 21.404 18.737 3.661 1.00 54.70 C ATOM 88 CD ARG A 611 20.693 19.667 2.682 1.00 69.53 C ATOM 89 NE ARG A 611 19.243 19.484 2.688 1.00 76.51 N ATOM 90 CZ ARG A 611 18.416 20.058 3.558 1.00 83.05 C ATOM 91 NH1 ARG A 611 18.893 20.856 4.507 1.00 85.44 N ATOM 92 NH2 ARG A 611 17.111 19.831 3.482 1.00 83.23 N ATOM 93 HE ARG A 611 18.830 18.863 1.963 1.00 0.00 H ATOM 94 HH12 ARG A 611 18.244 21.303 5.185 1.00 0.00 H ATOM 95 HH11 ARG A 611 19.916 21.034 4.572 1.00 0.00 H ATOM 96 HH22 ARG A 611 16.465 20.280 4.162 1.00 0.00 H ATOM 97 HH21 ARG A 611 16.734 19.204 2.742 1.00 0.00 H ATOM 98 H ARG A 611 22.343 15.565 2.412 1.00 0.00 H ATOM 99 N PHE A 612 20.829 14.440 5.754 1.00 34.06 N ATOM 100 CA PHE A 612 20.149 13.175 6.075 1.00 34.58 C ATOM 101 C PHE A 612 18.632 13.353 6.226 1.00 35.38 C ATOM 102 O PHE A 612 18.183 14.277 6.905 1.00 36.74 O ATOM 103 CB PHE A 612 20.751 12.559 7.349 1.00 33.41 C ATOM 104 CG PHE A 612 22.112 11.947 7.136 1.00 34.50 C ATOM 105 CD1 PHE A 612 23.240 12.748 7.043 1.00 33.97 C ATOM 106 CD2 PHE A 612 22.259 10.571 7.012 1.00 36.48 C ATOM 107 CE1 PHE A 612 24.496 12.190 6.833 1.00 34.62 C ATOM 108 CE2 PHE A 612 23.512 10.003 6.797 1.00 28.09 C ATOM 109 CZ PHE A 612 24.628 10.817 6.707 1.00 37.48 C ATOM 110 H PHE A 612 21.409 14.900 6.484 1.00 0.00 H ATOM 111 N LYS A 613 17.847 12.469 5.595 1.00 32.61 N ATOM 112 CA LYS A 613 16.391 12.676 5.505 1.00 39.77 C ATOM 113 C LYS A 613 15.490 11.605 6.159 1.00 39.39 C ATOM 114 O LYS A 613 14.483 11.936 6.798 1.00 42.83 O ATOM 115 CB LYS A 613 15.985 12.823 4.035 1.00 36.14 C ATOM 116 CG LYS A 613 16.302 14.178 3.464 1.00 37.48 C ATOM 117 CD LYS A 613 15.831 15.268 4.415 1.00 49.42 C ATOM 118 CE LYS A 613 16.187 16.651 3.918 1.00 55.72 C ATOM 119 NZ LYS A 613 15.640 17.681 4.837 1.00 61.89 N ATOM 120 HZ1 LYS A 613 14.605 17.590 4.881 1.00 0.00 H ATOM 121 HZ2 LYS A 613 16.042 17.545 5.787 1.00 0.00 H ATOM 122 HZ3 LYS A 613 15.891 18.627 4.485 1.00 0.00 H ATOM 123 H LYS A 613 18.272 11.624 5.162 1.00 0.00 H ATOM 124 N GLU A 614 15.825 10.335 5.972 1.00 30.54 N ATOM 125 CA GLU A 614 15.089 9.241 6.612 1.00 32.85 C ATOM 126 C GLU A 614 15.906 7.951 6.570 1.00 32.61 C ATOM 127 O GLU A 614 16.849 7.836 5.801 1.00 28.98 O ATOM 128 CB GLU A 614 13.726 9.028 5.952 1.00 47.20 C ATOM 129 CG GLU A 614 13.739 8.149 4.728 1.00 59.28 C ATOM 130 CD GLU A 614 12.334 7.838 4.231 1.00 78.88 C ATOM 131 OE1 GLU A 614 11.878 6.685 4.402 1.00 84.97 O ATOM 132 OE2 GLU A 614 11.684 8.749 3.672 1.00 82.81 O ATOM 133 H GLU A 614 16.631 10.110 5.355 1.00 0.00 H ATOM 134 N LYS A 615 15.561 6.997 7.426 1.00 32.74 N ATOM 135 CA LYS A 615 16.310 5.748 7.502 1.00 29.17 C ATOM 136 C LYS A 615 15.688 4.759 6.543 1.00 29.12 C ATOM 137 O LYS A 615 14.477 4.565 6.571 1.00 32.58 O ATOM 138 CB LYS A 615 16.314 5.203 8.932 1.00 29.38 C ATOM 139 CG LYS A 615 17.241 4.006 9.169 1.00 28.50 C ATOM 140 CD LYS A 615 17.202 3.651 10.652 1.00 34.91 C ATOM 141 CE LYS A 615 18.035 2.427 10.982 1.00 39.37 C ATOM 142 NZ LYS A 615 18.072 2.188 12.460 1.00 37.14 N ATOM 143 HZ1 LYS A 615 18.489 3.015 12.933 1.00 0.00 H ATOM 144 HZ2 LYS A 615 17.104 2.039 12.810 1.00 0.00 H ATOM 145 HZ3 LYS A 615 18.648 1.345 12.659 1.00 0.00 H ATOM 146 H LYS A 615 14.744 7.143 8.052 1.00 0.00 H ATOM 147 N LEU A 616 16.517 4.152 5.693 1.00 23.38 N ATOM 148 CA LEU A 616 16.034 3.206 4.688 1.00 21.84 C ATOM 149 C LEU A 616 16.226 1.758 5.116 1.00 25.36 C ATOM 150 O LEU A 616 15.657 0.850 4.512 1.00 29.05 O ATOM 151 CB LEU A 616 16.733 3.429 3.347 1.00 28.80 C ATOM 152 CG LEU A 616 16.478 4.768 2.654 1.00 32.99 C ATOM 153 CD1 LEU A 616 17.297 4.868 1.368 1.00 29.16 C ATOM 154 CD2 LEU A 616 15.000 4.913 2.365 1.00 33.21 C ATOM 155 H LEU A 616 17.535 4.357 5.746 1.00 0.00 H ATOM 156 N GLY A 617 17.059 1.531 6.124 1.00 28.58 N ATOM 157 CA GLY A 617 17.277 0.180 6.614 1.00 27.07 C ATOM 158 C GLY A 617 18.513 0.061 7.479 1.00 31.10 C ATOM 159 O GLY A 617 19.337 0.973 7.548 1.00 28.87 O ATOM 160 H GLY A 617 17.560 2.327 6.567 1.00 0.00 H ATOM 161 N GLU A 618 18.646 -1.066 8.161 1.00 29.39 N ATOM 162 CA GLU A 618 19.895 -1.346 8.855 1.00 29.21 C ATOM 163 C GLU A 618 20.293 -2.794 8.667 1.00 24.08 C ATOM 164 O GLU A 618 19.443 -3.677 8.565 1.00 32.16 O ATOM 165 CB GLU A 618 19.785 -1.005 10.341 1.00 34.41 C ATOM 166 CG GLU A 618 18.735 -1.781 11.102 1.00 46.12 C ATOM 167 CD GLU A 618 18.727 -1.423 12.572 1.00 55.32 C ATOM 168 OE1 GLU A 618 18.141 -2.184 13.372 1.00 60.63 O ATOM 169 OE2 GLU A 618 19.313 -0.376 12.921 1.00 56.01 O ATOM 170 H GLU A 618 17.862 -1.748 8.201 1.00 0.00 H ATOM 171 N GLY A 619 21.597 -3.028 8.612 1.00 25.83 N ATOM 172 CA GLY A 619 22.130 -4.370 8.481 1.00 26.65 C ATOM 173 C GLY A 619 23.062 -4.666 9.636 1.00 28.04 C ATOM 174 O GLY A 619 23.043 -3.974 10.651 1.00 30.16 O ATOM 175 H GLY A 619 22.257 -2.226 8.664 1.00 0.00 H ATOM 176 N GLN A 620 23.901 -5.680 9.478 1.00 26.19 N ATOM 177 CA GLN A 620 24.749 -6.110 10.588 1.00 30.46 C ATOM 178 C GLN A 620 25.896 -5.139 10.872 1.00 24.52 C ATOM 179 O GLN A 620 26.333 -5.014 12.012 1.00 28.34 O ATOM 180 CB GLN A 620 25.312 -7.511 10.320 1.00 39.92 C ATOM 181 CG GLN A 620 26.051 -7.628 8.991 1.00 62.71 C ATOM 182 CD GLN A 620 26.479 -9.050 8.657 1.00 79.28 C ATOM 183 OE1 GLN A 620 27.450 -9.568 9.214 1.00 81.39 O ATOM 184 NE2 GLN A 620 25.757 -9.685 7.735 1.00 82.59 N ATOM 185 HE22 GLN A 620 24.946 -9.209 7.291 1.00 0.00 H ATOM 186 HE21 GLN A 620 26.005 -10.657 7.459 1.00 0.00 H ATOM 187 H GLN A 620 23.956 -6.170 8.563 1.00 0.00 H ATOM 188 N PHE A 621 26.395 -4.437 9.860 1.00 20.92 N ATOM 189 CA PHE A 621 27.546 -3.572 10.127 1.00 20.84 C ATOM 190 C PHE A 621 27.383 -2.150 9.603 1.00 24.56 C ATOM 191 O PHE A 621 28.356 -1.392 9.548 1.00 26.39 O ATOM 192 CB PHE A 621 28.832 -4.183 9.557 1.00 27.39 C ATOM 193 CG PHE A 621 28.776 -4.484 8.089 1.00 29.94 C ATOM 194 CD1 PHE A 621 28.970 -3.485 7.150 1.00 32.00 C ATOM 195 CD2 PHE A 621 28.580 -5.780 7.646 1.00 24.02 C ATOM 196 CE1 PHE A 621 28.943 -3.776 5.793 1.00 28.69 C ATOM 197 CE2 PHE A 621 28.543 -6.072 6.304 1.00 32.62 C ATOM 198 CZ PHE A 621 28.727 -5.071 5.373 1.00 32.91 C ATOM 199 H PHE A 621 25.981 -4.500 8.908 1.00 0.00 H ATOM 200 N GLY A 622 26.161 -1.783 9.240 1.00 24.95 N ATOM 201 CA GLY A 622 25.913 -0.427 8.790 1.00 23.53 C ATOM 202 C GLY A 622 24.438 -0.136 8.660 1.00 24.55 C ATOM 203 O GLY A 622 23.620 -1.038 8.756 1.00 24.56 O ATOM 204 H GLY A 622 25.380 -2.469 9.278 1.00 0.00 H ATOM 205 N GLU A 623 24.094 1.133 8.471 1.00 23.72 N ATOM 206 CA GLU A 623 22.703 1.496 8.231 1.00 21.19 C ATOM 207 C GLU A 623 22.629 2.461 7.056 1.00 26.60 C ATOM 208 O GLU A 623 23.606 3.141 6.727 1.00 25.43 O ATOM 209 CB GLU A 623 22.060 2.090 9.486 1.00 26.80 C ATOM 210 CG GLU A 623 22.687 3.359 9.976 1.00 25.31 C ATOM 211 CD GLU A 623 22.054 3.837 11.276 1.00 37.78 C ATOM 212 OE1 GLU A 623 21.777 5.052 11.394 1.00 36.18 O ATOM 213 OE2 GLU A 623 21.827 2.991 12.176 1.00 39.67 O ATOM 214 H GLU A 623 24.823 1.874 8.494 1.00 0.00 H ATOM 215 N VAL A 624 21.477 2.495 6.399 1.00 24.13 N ATOM 216 CA VAL A 624 21.347 3.249 5.168 1.00 23.92 C ATOM 217 C VAL A 624 20.311 4.327 5.337 1.00 29.03 C ATOM 218 O VAL A 624 19.196 4.055 5.800 1.00 23.17 O ATOM 219 CB VAL A 624 20.961 2.349 3.970 1.00 24.83 C ATOM 220 CG1 VAL A 624 20.738 3.195 2.710 1.00 27.42 C ATOM 221 CG2 VAL A 624 22.046 1.284 3.737 1.00 25.47 C ATOM 222 H VAL A 624 20.657 1.974 6.772 1.00 0.00 H ATOM 223 N HIS A 625 20.694 5.548 4.967 1.00 22.60 N ATOM 224 CA HIS A 625 19.804 6.706 5.073 1.00 23.58 C ATOM 225 C HIS A 625 19.520 7.326 3.703 1.00 30.13 C ATOM 226 O HIS A 625 20.369 7.347 2.824 1.00 26.36 O ATOM 227 CB HIS A 625 20.403 7.764 6.003 1.00 24.80 C ATOM 228 CG HIS A 625 20.422 7.361 7.446 1.00 27.48 C ATOM 229 ND1 HIS A 625 19.487 7.813 8.355 1.00 28.35 N ATOM 230 CD2 HIS A 625 21.246 6.537 8.137 1.00 24.42 C ATOM 231 CE1 HIS A 625 19.745 7.297 9.545 1.00 32.69 C ATOM 232 NE2 HIS A 625 20.813 6.528 9.442 1.00 31.30 N ATOM 233 H HIS A 625 21.654 5.683 4.591 1.00 0.00 H ATOM 234 N LEU A 626 18.311 7.831 3.520 1.00 27.94 N ATOM 235 CA LEU A 626 18.040 8.673 2.369 1.00 30.73 C ATOM 236 C LEU A 626 18.654 10.053 2.605 1.00 30.80 C ATOM 237 O LEU A 626 18.391 10.666 3.629 1.00 31.63 O ATOM 238 CB LEU A 626 16.534 8.794 2.140 1.00 31.65 C ATOM 239 CG LEU A 626 16.113 9.764 1.036 1.00 32.47 C ATOM 240 CD1 LEU A 626 16.593 9.257 -0.314 1.00 33.77 C ATOM 241 CD2 LEU A 626 14.607 9.973 1.053 1.00 34.58 C ATOM 242 H LEU A 626 17.553 7.624 4.202 1.00 0.00 H ATOM 243 N CYS A 627 19.460 10.540 1.663 1.00 28.66 N ATOM 244 CA CYS A 627 20.079 11.857 1.784 1.00 28.67 C ATOM 245 C CYS A 627 19.818 12.746 0.569 1.00 35.97 C ATOM 246 O CYS A 627 19.597 12.246 -0.544 1.00 28.13 O ATOM 247 CB CYS A 627 21.585 11.732 1.993 1.00 30.91 C ATOM 248 SG CYS A 627 22.045 11.053 3.603 1.00 36.36 S ATOM 249 H CYS A 627 19.654 9.966 0.818 1.00 0.00 H ATOM 250 N GLU A 628 19.837 14.057 0.815 1.00 36.08 N ATOM 251 CA GLU A 628 19.763 15.079 -0.227 1.00 35.07 C ATOM 252 C GLU A 628 21.137 15.673 -0.464 1.00 41.57 C ATOM 253 O GLU A 628 21.878 15.915 0.483 1.00 44.05 O ATOM 254 CB GLU A 628 18.799 16.210 0.155 1.00 33.44 C ATOM 255 CG GLU A 628 17.351 15.811 0.311 1.00 45.26 C ATOM 256 CD GLU A 628 16.432 17.023 0.404 1.00 60.58 C ATOM 257 OE1 GLU A 628 16.943 18.147 0.621 1.00 62.42 O ATOM 258 OE2 GLU A 628 15.203 16.853 0.251 1.00 62.70 O ATOM 259 H GLU A 628 19.909 14.369 1.804 1.00 0.00 H ATOM 260 N VAL A 629 21.462 15.922 -1.727 1.00 42.49 N ATOM 261 CA VAL A 629 22.711 16.577 -2.094 1.00 51.91 C ATOM 262 C VAL A 629 22.405 17.895 -2.808 1.00 59.14 C ATOM 263 O VAL A 629 21.455 17.971 -3.587 1.00 56.31 O ATOM 264 CB VAL A 629 23.574 15.689 -3.018 1.00 44.97 C ATOM 265 CG1 VAL A 629 24.995 16.229 -3.098 1.00 46.04 C ATOM 266 CG2 VAL A 629 23.558 14.229 -2.555 1.00 41.69 C ATOM 267 H VAL A 629 20.803 15.640 -2.480 1.00 0.00 H ATOM 268 N ASP A 630 23.201 18.928 -2.549 1.00 69.79 N ATOM 269 CA ASP A 630 23.017 20.217 -3.217 1.00 79.50 C ATOM 270 C ASP A 630 24.026 20.431 -4.350 1.00 87.01 C ATOM 271 O ASP A 630 23.787 21.219 -5.266 1.00 84.05 O ATOM 272 CB ASP A 630 23.131 21.358 -2.206 1.00 84.85 C ATOM 273 CG ASP A 630 22.208 21.176 -1.017 1.00 88.98 C ATOM 274 OD1 ASP A 630 22.530 20.348 -0.135 1.00 89.19 O ATOM 275 OD2 ASP A 630 21.166 21.866 -0.962 1.00 88.13 O ATOM 276 H ASP A 630 23.970 18.818 -1.858 1.00 0.00 H ATOM 277 N SER A 631 25.147 19.716 -4.276 1.00 97.70 N ATOM 278 CA SER A 631 26.263 19.881 -5.207 1.00106.55 C ATOM 279 C SER A 631 26.210 18.891 -6.379 1.00108.04 C ATOM 280 O SER A 631 25.457 17.917 -6.336 1.00105.85 O ATOM 281 CB SER A 631 27.588 19.716 -4.453 1.00107.31 C ATOM 282 OG SER A 631 27.626 20.527 -3.293 1.00109.38 O ATOM 283 HG SER A 631 28.491 20.398 -2.830 1.00 0.00 H ATOM 284 H SER A 631 25.233 19.007 -3.520 1.00 0.00 H ATOM 285 N PRO A 632 27.002 19.143 -7.439 1.00107.86 N ATOM 286 CA PRO A 632 27.138 18.135 -8.498 1.00104.85 C ATOM 287 C PRO A 632 27.948 16.919 -8.040 1.00 99.26 C ATOM 288 O PRO A 632 29.081 16.733 -8.486 1.00 95.59 O ATOM 289 CB PRO A 632 27.866 18.892 -9.615 1.00104.78 C ATOM 290 CG PRO A 632 28.568 20.012 -8.923 1.00104.50 C ATOM 291 CD PRO A 632 27.653 20.414 -7.808 1.00107.05 C TER 292 PRO A 632 ATOM 293 N PRO A 649 17.204 19.035 -6.166 1.00 81.50 N ATOM 294 CA PRO A 649 18.118 18.334 -5.258 1.00 75.65 C ATOM 295 C PRO A 649 18.172 16.832 -5.523 1.00 57.56 C ATOM 296 O PRO A 649 17.137 16.166 -5.545 1.00 57.43 O ATOM 297 CB PRO A 649 17.519 18.621 -3.878 1.00 82.21 C ATOM 298 CG PRO A 649 16.036 18.919 -4.142 1.00 85.58 C ATOM 299 CD PRO A 649 15.830 19.061 -5.637 1.00 84.68 C ATOM 300 HN2 PRO A 649 17.203 18.549 -7.086 1.00 0.00 H ATOM 301 HN1 PRO A 649 17.536 20.012 -6.292 1.00 0.00 H ATOM 302 N LEU A 650 19.371 16.298 -5.723 1.00 47.45 N ATOM 303 CA LEU A 650 19.505 14.871 -5.952 1.00 40.31 C ATOM 304 C LEU A 650 19.246 14.099 -4.659 1.00 39.15 C ATOM 305 O LEU A 650 19.650 14.521 -3.581 1.00 42.35 O ATOM 306 CB LEU A 650 20.892 14.528 -6.506 1.00 50.26 C ATOM 307 CG LEU A 650 21.139 13.036 -6.772 1.00 54.40 C ATOM 308 CD1 LEU A 650 20.087 12.466 -7.718 1.00 60.76 C ATOM 309 CD2 LEU A 650 22.535 12.778 -7.313 1.00 51.01 C ATOM 310 H LEU A 650 20.216 16.904 -5.716 1.00 0.00 H ATOM 311 N LEU A 651 18.549 12.977 -4.772 1.00 41.07 N ATOM 312 CA LEU A 651 18.407 12.064 -3.649 1.00 39.28 C ATOM 313 C LEU A 651 19.359 10.892 -3.838 1.00 36.87 C ATOM 314 O LEU A 651 19.488 10.363 -4.936 1.00 34.28 O ATOM 315 CB LEU A 651 16.965 11.572 -3.524 1.00 43.03 C ATOM 316 CG LEU A 651 15.915 12.635 -3.196 1.00 39.67 C ATOM 317 CD1 LEU A 651 14.529 12.002 -3.171 1.00 42.80 C ATOM 318 CD2 LEU A 651 16.226 13.291 -1.869 1.00 36.55 C ATOM 319 H LEU A 651 18.096 12.746 -5.679 1.00 0.00 H ATOM 320 N VAL A 652 20.038 10.494 -2.769 1.00 29.95 N ATOM 321 CA VAL A 652 20.904 9.327 -2.829 1.00 32.03 C ATOM 322 C VAL A 652 20.696 8.463 -1.598 1.00 28.36 C ATOM 323 O VAL A 652 20.136 8.917 -0.601 1.00 29.97 O ATOM 324 CB VAL A 652 22.392 9.720 -2.939 1.00 33.88 C ATOM 325 CG1 VAL A 652 22.696 10.294 -4.316 1.00 38.45 C ATOM 326 CG2 VAL A 652 22.775 10.711 -1.843 1.00 30.36 C ATOM 327 H VAL A 652 19.950 11.023 -1.878 1.00 0.00 H ATOM 328 N ALA A 653 21.146 7.217 -1.670 1.00 24.08 N ATOM 329 CA ALA A 653 21.135 6.363 -0.496 1.00 22.47 C ATOM 330 C ALA A 653 22.548 6.265 0.061 1.00 25.93 C ATOM 331 O ALA A 653 23.501 5.991 -0.677 1.00 25.75 O ATOM 332 CB ALA A 653 20.572 4.996 -0.833 1.00 21.00 C ATOM 333 H ALA A 653 21.509 6.850 -2.573 1.00 0.00 H ATOM 334 N VAL A 654 22.689 6.509 1.362 1.00 26.03 N ATOM 335 CA VAL A 654 24.015 6.568 1.978 1.00 25.57 C ATOM 336 C VAL A 654 24.176 5.549 3.104 1.00 23.66 C ATOM 337 O VAL A 654 23.393 5.531 4.038 1.00 26.38 O ATOM 338 CB VAL A 654 24.294 7.982 2.526 1.00 29.71 C ATOM 339 CG1 VAL A 654 25.633 8.028 3.224 1.00 23.93 C ATOM 340 CG2 VAL A 654 24.247 8.986 1.394 1.00 25.90 C ATOM 341 H VAL A 654 21.844 6.660 1.949 1.00 0.00 H ATOM 342 N LYS A 655 25.191 4.699 3.008 1.00 21.90 N ATOM 343 CA LYS A 655 25.440 3.712 4.054 1.00 23.18 C ATOM 344 C LYS A 655 26.519 4.229 4.992 1.00 22.90 C ATOM 345 O LYS A 655 27.572 4.713 4.553 1.00 25.51 O ATOM 346 CB LYS A 655 25.824 2.349 3.449 1.00 20.19 C ATOM 347 CG LYS A 655 26.050 1.244 4.498 1.00 19.88 C ATOM 348 CD LYS A 655 25.958 -0.144 3.901 1.00 23.25 C ATOM 349 CE LYS A 655 26.217 -1.198 4.978 1.00 32.88 C ATOM 350 NZ LYS A 655 25.989 -2.575 4.443 1.00 27.47 N ATOM 351 HZ1 LYS A 655 25.004 -2.661 4.120 1.00 0.00 H ATOM 352 HZ2 LYS A 655 26.633 -2.747 3.645 1.00 0.00 H ATOM 353 HZ3 LYS A 655 26.171 -3.272 5.193 1.00 0.00 H ATOM 354 H LYS A 655 25.816 4.737 2.178 1.00 0.00 H ATOM 355 N ILE A 656 26.224 4.182 6.286 1.00 22.12 N ATOM 356 CA ILE A 656 27.149 4.626 7.329 1.00 24.29 C ATOM 357 C ILE A 656 27.282 3.542 8.396 1.00 22.62 C ATOM 358 O ILE A 656 26.502 2.603 8.418 1.00 22.00 O ATOM 359 CB ILE A 656 26.681 5.931 8.003 1.00 27.93 C ATOM 360 CG1 ILE A 656 25.286 5.762 8.610 1.00 27.36 C ATOM 361 CG2 ILE A 656 26.699 7.097 7.020 1.00 34.25 C ATOM 362 CD1 ILE A 656 24.824 6.972 9.414 1.00 25.94 C ATOM 363 H ILE A 656 25.294 3.813 6.571 1.00 0.00 H ATOM 364 N LEU A 657 28.235 3.695 9.304 1.00 23.47 N ATOM 365 CA LEU A 657 28.347 2.772 10.421 1.00 23.81 C ATOM 366 C LEU A 657 27.119 2.878 11.339 1.00 30.88 C ATOM 367 O LEU A 657 26.521 3.955 11.473 1.00 26.34 O ATOM 368 CB LEU A 657 29.626 3.052 11.216 1.00 24.14 C ATOM 369 CG LEU A 657 30.934 2.710 10.492 1.00 31.49 C ATOM 370 CD1 LEU A 657 32.139 3.108 11.343 1.00 36.86 C ATOM 371 CD2 LEU A 657 30.979 1.229 10.150 1.00 23.45 C ATOM 372 H LEU A 657 28.909 4.482 9.217 1.00 0.00 H ATOM 373 N ARG A 658 26.747 1.763 11.965 1.00 28.27 N ATOM 374 CA ARG A 658 25.725 1.785 13.011 1.00 29.42 C ATOM 375 C ARG A 658 26.206 2.555 14.242 1.00 28.50 C ATOM 376 O ARG A 658 27.409 2.718 14.461 1.00 25.83 O ATOM 377 CB ARG A 658 25.340 0.365 13.419 1.00 25.08 C ATOM 378 CG ARG A 658 24.702 -0.475 12.323 1.00 24.62 C ATOM 379 CD ARG A 658 24.773 -1.961 12.693 1.00 31.72 C ATOM 380 NE ARG A 658 24.211 -2.218 14.019 1.00 34.72 N ATOM 381 CZ ARG A 658 22.998 -2.720 14.225 1.00 36.80 C ATOM 382 NH1 ARG A 658 22.230 -3.031 13.192 1.00 38.85 N ATOM 383 NH2 ARG A 658 22.557 -2.916 15.461 1.00 39.60 N ATOM 384 HE ARG A 658 24.795 -1.995 14.850 1.00 0.00 H ATOM 385 HH12 ARG A 658 21.280 -3.424 13.350 1.00 0.00 H ATOM 386 HH11 ARG A 658 22.577 -2.882 12.223 1.00 0.00 H ATOM 387 HH22 ARG A 658 21.607 -3.309 15.618 1.00 0.00 H ATOM 388 HH21 ARG A 658 23.161 -2.677 16.273 1.00 0.00 H ATOM 389 H ARG A 658 27.192 0.859 11.705 1.00 0.00 H ATOM 390 N PRO A 659 25.264 3.032 15.068 1.00 26.95 N ATOM 391 CA PRO A 659 25.618 3.702 16.325 1.00 27.92 C ATOM 392 C PRO A 659 26.410 2.811 17.278 1.00 28.41 C ATOM 393 O PRO A 659 27.187 3.324 18.073 1.00 29.48 O ATOM 394 CB PRO A 659 24.257 4.047 16.930 1.00 27.60 C ATOM 395 CG PRO A 659 23.353 4.121 15.766 1.00 26.87 C ATOM 396 CD PRO A 659 23.821 3.118 14.783 1.00 34.95 C ATOM 397 N ASP A 660 26.207 1.500 17.194 1.00 26.38 N ATOM 398 CA ASP A 660 26.928 0.597 18.081 1.00 31.96 C ATOM 399 C ASP A 660 28.171 0.025 17.411 1.00 34.90 C ATOM 400 O ASP A 660 28.640 -1.041 17.812 1.00 35.32 O ATOM 401 CB ASP A 660 26.015 -0.551 18.553 1.00 31.92 C ATOM 402 CG ASP A 660 25.467 -1.409 17.402 1.00 39.15 C ATOM 403 OD1 ASP A 660 25.947 -1.323 16.249 1.00 31.14 O ATOM 404 OD2 ASP A 660 24.539 -2.206 17.665 1.00 50.02 O ATOM 405 H ASP A 660 25.535 1.120 16.497 1.00 0.00 H ATOM 406 N ALA A 661 28.699 0.724 16.402 1.00 29.45 N ATOM 407 CA ALA A 661 29.741 0.146 15.549 1.00 28.55 C ATOM 408 C ALA A 661 30.953 -0.280 16.362 1.00 28.72 C ATOM 409 O ALA A 661 31.443 0.458 17.224 1.00 29.39 O ATOM 410 CB ALA A 661 30.159 1.115 14.469 1.00 30.88 C ATOM 411 H ALA A 661 28.366 1.692 16.219 1.00 0.00 H ATOM 412 N THR A 662 31.410 -1.492 16.090 1.00 26.69 N ATOM 413 CA THR A 662 32.595 -2.029 16.736 1.00 35.74 C ATOM 414 C THR A 662 33.756 -2.088 15.751 1.00 35.14 C ATOM 415 O THR A 662 33.576 -1.837 14.558 1.00 24.60 O ATOM 416 CB THR A 662 32.338 -3.429 17.285 1.00 37.10 C ATOM 417 OG1 THR A 662 32.093 -4.326 16.192 1.00 42.76 O ATOM 418 CG2 THR A 662 31.135 -3.415 18.224 1.00 46.15 C ATOM 419 HG1 THR A 662 31.926 -5.236 16.544 1.00 0.00 H ATOM 420 H THR A 662 30.906 -2.077 15.393 1.00 0.00 H ATOM 421 N LYS A 663 34.936 -2.430 16.265 1.00 28.65 N ATOM 422 CA LYS A 663 36.121 -2.667 15.440 1.00 27.94 C ATOM 423 C LYS A 663 35.813 -3.679 14.315 1.00 25.51 C ATOM 424 O LYS A 663 36.217 -3.485 13.171 1.00 27.17 O ATOM 425 CB LYS A 663 37.278 -3.154 16.336 1.00 36.23 C ATOM 426 CG LYS A 663 38.543 -3.594 15.618 1.00 38.25 C ATOM 427 CD LYS A 663 39.555 -4.142 16.634 1.00 45.70 C ATOM 428 CE LYS A 663 40.573 -5.075 15.987 1.00 53.72 C ATOM 429 NZ LYS A 663 41.318 -5.870 17.015 1.00 60.07 N ATOM 430 HZ1 LYS A 663 41.823 -5.222 17.653 1.00 0.00 H ATOM 431 HZ2 LYS A 663 40.645 -6.444 17.562 1.00 0.00 H ATOM 432 HZ3 LYS A 663 42.002 -6.494 16.541 1.00 0.00 H ATOM 433 H LYS A 663 35.019 -2.533 17.297 1.00 0.00 H ATOM 434 N ASN A 664 35.085 -4.745 14.628 1.00 26.66 N ATOM 435 CA ASN A 664 34.800 -5.766 13.616 1.00 27.83 C ATOM 436 C ASN A 664 33.802 -5.294 12.566 1.00 28.30 C ATOM 437 O ASN A 664 33.904 -5.661 11.399 1.00 25.04 O ATOM 438 CB ASN A 664 34.292 -7.054 14.260 1.00 26.72 C ATOM 439 CG ASN A 664 35.329 -7.703 15.185 1.00 24.24 C ATOM 440 OD1 ASN A 664 36.517 -7.414 15.117 1.00 33.76 O ATOM 441 ND2 ASN A 664 34.864 -8.596 16.042 1.00 37.06 N ATOM 442 HD22 ASN A 664 33.847 -8.812 16.067 1.00 0.00 H ATOM 443 HD21 ASN A 664 35.515 -9.082 16.691 1.00 0.00 H ATOM 444 H ASN A 664 34.716 -4.855 15.594 1.00 0.00 H ATOM 445 N ALA A 665 32.829 -4.485 12.974 1.00 22.64 N ATOM 446 CA ALA A 665 31.863 -3.941 12.020 1.00 21.97 C ATOM 447 C ALA A 665 32.539 -2.973 11.037 1.00 21.99 C ATOM 448 O ALA A 665 32.205 -2.971 9.852 1.00 26.52 O ATOM 449 CB ALA A 665 30.719 -3.244 12.754 1.00 22.26 C ATOM 450 H ALA A 665 32.754 -4.237 13.981 1.00 0.00 H ATOM 451 N ARG A 666 33.476 -2.158 11.526 1.00 22.82 N ATOM 452 CA ARG A 666 34.216 -1.234 10.668 1.00 23.04 C ATOM 453 C ARG A 666 35.021 -2.013 9.636 1.00 26.84 C ATOM 454 O ARG A 666 35.089 -1.643 8.459 1.00 24.86 O ATOM 455 CB ARG A 666 35.149 -0.336 11.487 1.00 27.04 C ATOM 456 CG ARG A 666 36.116 0.464 10.619 1.00 30.48 C ATOM 457 CD ARG A 666 37.025 1.375 11.433 1.00 29.43 C ATOM 458 NE ARG A 666 37.767 2.287 10.566 1.00 32.11 N ATOM 459 CZ ARG A 666 38.986 2.052 10.090 1.00 30.75 C ATOM 460 NH1 ARG A 666 39.577 2.948 9.308 1.00 34.72 N ATOM 461 NH2 ARG A 666 39.619 0.929 10.403 1.00 28.39 N ATOM 462 HE ARG A 666 37.310 3.183 10.303 1.00 0.00 H ATOM 463 HH12 ARG A 666 40.531 2.765 8.935 1.00 0.00 H ATOM 464 HH11 ARG A 666 39.086 3.833 9.068 1.00 0.00 H ATOM 465 HH22 ARG A 666 40.572 0.748 10.029 1.00 0.00 H ATOM 466 HH21 ARG A 666 39.162 0.230 11.022 1.00 0.00 H ATOM 467 H ARG A 666 33.685 -2.181 12.544 1.00 0.00 H ATOM 468 N ASN A 667 35.640 -3.101 10.079 1.00 23.97 N ATOM 469 CA ASN A 667 36.358 -3.969 9.142 1.00 26.02 C ATOM 470 C ASN A 667 35.422 -4.511 8.049 1.00 26.15 C ATOM 471 O ASN A 667 35.746 -4.445 6.853 1.00 25.01 O ATOM 472 CB ASN A 667 37.031 -5.121 9.899 1.00 28.63 C ATOM 473 CG ASN A 667 37.731 -6.107 8.968 1.00 30.94 C ATOM 474 OD1 ASN A 667 37.348 -7.278 8.878 1.00 33.36 O ATOM 475 ND2 ASN A 667 38.749 -5.628 8.261 1.00 23.48 N ATOM 476 HD22 ASN A 667 39.036 -4.634 8.370 1.00 0.00 H ATOM 477 HD21 ASN A 667 39.259 -6.247 7.598 1.00 0.00 H ATOM 478 H ASN A 667 35.615 -3.337 11.092 1.00 0.00 H ATOM 479 N ASP A 668 34.265 -5.039 8.449 1.00 20.96 N ATOM 480 CA ASP A 668 33.270 -5.515 7.491 1.00 20.10 C ATOM 481 C ASP A 668 32.809 -4.408 6.553 1.00 19.89 C ATOM 482 O ASP A 668 32.592 -4.649 5.369 1.00 21.59 O ATOM 483 CB ASP A 668 32.056 -6.120 8.206 1.00 27.77 C ATOM 484 CG ASP A 668 32.348 -7.487 8.817 1.00 37.24 C ATOM 485 OD1 ASP A 668 33.327 -8.139 8.399 1.00 39.75 O ATOM 486 OD2 ASP A 668 31.583 -7.916 9.707 1.00 46.57 O ATOM 487 H ASP A 668 34.066 -5.114 9.467 1.00 0.00 H ATOM 488 N PHE A 669 32.664 -3.195 7.086 1.00 21.26 N ATOM 489 CA PHE A 669 32.273 -2.038 6.278 1.00 22.38 C ATOM 490 C PHE A 669 33.309 -1.728 5.193 1.00 25.05 C ATOM 491 O PHE A 669 32.963 -1.557 4.020 1.00 23.99 O ATOM 492 CB PHE A 669 32.081 -0.810 7.182 1.00 22.45 C ATOM 493 CG PHE A 669 31.402 0.358 6.501 1.00 26.42 C ATOM 494 CD1 PHE A 669 32.119 1.239 5.698 1.00 28.90 C ATOM 495 CD2 PHE A 669 30.050 0.592 6.703 1.00 24.28 C ATOM 496 CE1 PHE A 669 31.487 2.322 5.100 1.00 27.02 C ATOM 497 CE2 PHE A 669 29.429 1.653 6.126 1.00 22.77 C ATOM 498 CZ PHE A 669 30.147 2.527 5.309 1.00 26.80 C ATOM 499 H PHE A 669 32.833 -3.067 8.104 1.00 0.00 H ATOM 500 N LEU A 670 34.577 -1.654 5.585 1.00 23.32 N ATOM 501 CA LEU A 670 35.642 -1.341 4.636 1.00 21.62 C ATOM 502 C LEU A 670 35.779 -2.407 3.559 1.00 21.07 C ATOM 503 O LEU A 670 36.066 -2.099 2.401 1.00 27.36 O ATOM 504 CB LEU A 670 36.979 -1.184 5.349 1.00 23.70 C ATOM 505 CG LEU A 670 37.171 0.038 6.243 1.00 24.83 C ATOM 506 CD1 LEU A 670 38.478 -0.118 7.016 1.00 29.46 C ATOM 507 CD2 LEU A 670 37.170 1.300 5.401 1.00 29.41 C ATOM 508 H LEU A 670 34.814 -1.822 6.584 1.00 0.00 H ATOM 509 N LYS A 671 35.594 -3.665 3.940 1.00 20.65 N ATOM 510 CA LYS A 671 35.616 -4.741 2.958 1.00 24.23 C ATOM 511 C LYS A 671 34.447 -4.644 1.988 1.00 22.66 C ATOM 512 O LYS A 671 34.594 -4.949 0.806 1.00 24.02 O ATOM 513 CB LYS A 671 35.610 -6.113 3.638 1.00 29.69 C ATOM 514 CG LYS A 671 37.002 -6.667 3.839 1.00 39.16 C ATOM 515 CD LYS A 671 36.983 -8.171 4.018 1.00 37.15 C ATOM 516 CE LYS A 671 36.188 -8.550 5.249 1.00 33.26 C ATOM 517 NZ LYS A 671 36.543 -9.914 5.695 1.00 34.47 N ATOM 518 HZ1 LYS A 671 36.333 -10.592 4.935 1.00 0.00 H ATOM 519 HZ2 LYS A 671 37.557 -9.950 5.923 1.00 0.00 H ATOM 520 HZ3 LYS A 671 35.988 -10.157 6.540 1.00 0.00 H ATOM 521 H LYS A 671 35.433 -3.884 4.944 1.00 0.00 H ATOM 522 N GLU A 672 33.292 -4.197 2.463 1.00 24.70 N ATOM 523 CA GLU A 672 32.166 -4.063 1.551 1.00 21.87 C ATOM 524 C GLU A 672 32.442 -2.962 0.537 1.00 20.74 C ATOM 525 O GLU A 672 32.063 -3.090 -0.620 1.00 25.64 O ATOM 526 CB GLU A 672 30.858 -3.774 2.297 1.00 30.17 C ATOM 527 CG GLU A 672 29.662 -3.731 1.348 1.00 26.40 C ATOM 528 CD GLU A 672 28.335 -3.636 2.070 1.00 32.18 C ATOM 529 OE1 GLU A 672 28.209 -2.766 2.955 1.00 34.86 O ATOM 530 OE2 GLU A 672 27.421 -4.432 1.752 1.00 36.94 O ATOM 531 H GLU A 672 33.193 -3.947 3.468 1.00 0.00 H ATOM 532 N VAL A 673 33.114 -1.895 0.967 1.00 21.96 N ATOM 533 CA VAL A 673 33.509 -0.831 0.053 1.00 23.67 C ATOM 534 C VAL A 673 34.342 -1.387 -1.099 1.00 22.59 C ATOM 535 O VAL A 673 34.129 -1.026 -2.265 1.00 24.10 O ATOM 536 CB VAL A 673 34.313 0.258 0.761 1.00 25.21 C ATOM 537 CG1 VAL A 673 34.813 1.273 -0.265 1.00 29.43 C ATOM 538 CG2 VAL A 673 33.465 0.948 1.844 1.00 29.48 C ATOM 539 H VAL A 673 33.361 -1.820 1.974 1.00 0.00 H ATOM 540 N LYS A 674 35.290 -2.265 -0.763 1.00 23.85 N ATOM 541 CA LYS A 674 36.172 -2.877 -1.763 1.00 26.29 C ATOM 542 C LYS A 674 35.384 -3.797 -2.697 1.00 24.88 C ATOM 543 O LYS A 674 35.582 -3.776 -3.921 1.00 25.69 O ATOM 544 CB LYS A 674 37.321 -3.644 -1.081 1.00 22.70 C ATOM 545 CG LYS A 674 38.363 -2.702 -0.449 1.00 24.35 C ATOM 546 CD LYS A 674 39.578 -3.427 0.166 1.00 30.60 C ATOM 547 CE LYS A 674 40.643 -2.405 0.602 1.00 36.57 C ATOM 548 NZ LYS A 674 41.931 -2.987 1.106 1.00 43.84 N ATOM 549 HZ1 LYS A 674 41.739 -3.583 1.936 1.00 0.00 H ATOM 550 HZ2 LYS A 674 42.366 -3.563 0.357 1.00 0.00 H ATOM 551 HZ3 LYS A 674 42.577 -2.217 1.372 1.00 0.00 H ATOM 552 H LYS A 674 35.407 -2.523 0.238 1.00 0.00 H ATOM 553 N ILE A 675 34.478 -4.587 -2.132 1.00 23.30 N ATOM 554 CA ILE A 675 33.643 -5.467 -2.946 1.00 23.06 C ATOM 555 C ILE A 675 32.805 -4.630 -3.906 1.00 28.84 C ATOM 556 O ILE A 675 32.788 -4.903 -5.109 1.00 25.89 O ATOM 557 CB ILE A 675 32.726 -6.354 -2.076 1.00 25.57 C ATOM 558 CG1 ILE A 675 33.570 -7.259 -1.162 1.00 27.53 C ATOM 559 CG2 ILE A 675 31.789 -7.206 -2.963 1.00 23.26 C ATOM 560 CD1 ILE A 675 32.742 -7.962 -0.085 1.00 26.24 C ATOM 561 H ILE A 675 34.362 -4.579 -1.099 1.00 0.00 H ATOM 562 N MET A 676 32.126 -3.605 -3.378 1.00 27.43 N ATOM 563 CA MET A 676 31.267 -2.738 -4.192 1.00 27.65 C ATOM 564 C MET A 676 32.015 -1.974 -5.295 1.00 28.07 C ATOM 565 O MET A 676 31.423 -1.650 -6.332 1.00 23.07 O ATOM 566 CB MET A 676 30.525 -1.724 -3.314 1.00 26.34 C ATOM 567 CG MET A 676 29.551 -2.334 -2.315 1.00 30.50 C ATOM 568 SD MET A 676 28.430 -3.515 -3.082 1.00 31.60 S ATOM 569 CE MET A 676 27.667 -2.457 -4.304 1.00 24.24 C ATOM 570 H MET A 676 32.210 -3.417 -2.359 1.00 0.00 H ATOM 571 N SER A 677 33.297 -1.676 -5.081 1.00 25.09 N ATOM 572 CA SER A 677 34.094 -0.977 -6.088 1.00 28.27 C ATOM 573 C SER A 677 34.216 -1.808 -7.367 1.00 31.51 C ATOM 574 O SER A 677 34.458 -1.272 -8.449 1.00 33.26 O ATOM 575 CB SER A 677 35.489 -0.647 -5.547 1.00 27.26 C ATOM 576 OG SER A 677 36.334 -1.789 -5.584 1.00 26.59 O ATOM 577 HG SER A 677 35.940 -2.508 -5.029 1.00 0.00 H ATOM 578 H SER A 677 33.739 -1.946 -4.179 1.00 0.00 H ATOM 579 N ARG A 678 34.050 -3.117 -7.237 1.00 26.23 N ATOM 580 CA ARG A 678 34.173 -4.009 -8.392 1.00 27.14 C ATOM 581 C ARG A 678 32.974 -3.930 -9.339 1.00 31.79 C ATOM 582 O ARG A 678 33.074 -4.259 -10.519 1.00 31.42 O ATOM 583 CB ARG A 678 34.328 -5.463 -7.936 1.00 27.63 C ATOM 584 CG ARG A 678 35.499 -5.743 -7.019 1.00 27.98 C ATOM 585 CD ARG A 678 35.539 -7.233 -6.689 1.00 33.60 C ATOM 586 NE ARG A 678 35.593 -8.053 -7.899 1.00 31.71 N ATOM 587 CZ ARG A 678 35.455 -9.377 -7.915 1.00 34.91 C ATOM 588 NH1 ARG A 678 35.255 -10.048 -6.787 1.00 33.51 N ATOM 589 NH2 ARG A 678 35.539 -10.037 -9.062 1.00 41.36 N ATOM 590 HE ARG A 678 35.750 -7.570 -8.807 1.00 0.00 H ATOM 591 HH12 ARG A 678 35.148 -11.082 -6.809 1.00 0.00 H ATOM 592 HH11 ARG A 678 35.205 -9.539 -5.881 1.00 0.00 H ATOM 593 HH22 ARG A 678 35.431 -11.071 -9.076 1.00 0.00 H ATOM 594 HH21 ARG A 678 35.713 -9.520 -9.948 1.00 0.00 H ATOM 595 H ARG A 678 33.829 -3.516 -6.302 1.00 0.00 H ATOM 596 N LEU A 679 31.837 -3.505 -8.811 1.00 27.03 N ATOM 597 CA LEU A 679 30.561 -3.779 -9.468 1.00 24.02 C ATOM 598 C LEU A 679 30.040 -2.588 -10.262 1.00 24.87 C ATOM 599 O LEU A 679 29.576 -1.595 -9.696 1.00 31.27 O ATOM 600 CB LEU A 679 29.546 -4.212 -8.419 1.00 24.99 C ATOM 601 CG LEU A 679 30.003 -5.394 -7.566 1.00 27.22 C ATOM 602 CD1 LEU A 679 28.870 -5.825 -6.646 1.00 29.79 C ATOM 603 CD2 LEU A 679 30.467 -6.569 -8.437 1.00 27.02 C ATOM 604 H LEU A 679 31.852 -2.970 -7.919 1.00 0.00 H ATOM 605 N LYS A 680 30.131 -2.694 -11.579 1.00 23.62 N ATOM 606 CA LYS A 680 29.763 -1.596 -12.469 1.00 27.00 C ATOM 607 C LYS A 680 28.844 -2.082 -13.588 1.00 31.91 C ATOM 608 O LYS A 680 29.308 -2.411 -14.688 1.00 29.67 O ATOM 609 CB LYS A 680 31.032 -0.939 -13.046 1.00 28.96 C ATOM 610 CG LYS A 680 31.799 -0.132 -12.004 1.00 33.63 C ATOM 611 CD LYS A 680 33.209 0.220 -12.463 1.00 41.11 C ATOM 612 CE LYS A 680 34.163 -0.955 -12.278 1.00 47.28 C ATOM 613 NZ LYS A 680 35.577 -0.578 -12.585 1.00 53.37 N ATOM 614 HZ1 LYS A 680 35.642 -0.257 -13.572 1.00 0.00 H ATOM 615 HZ2 LYS A 680 35.876 0.189 -11.949 1.00 0.00 H ATOM 616 HZ3 LYS A 680 36.193 -1.405 -12.447 1.00 0.00 H ATOM 617 H LYS A 680 30.474 -3.585 -11.991 1.00 0.00 H ATOM 618 N ASP A 681 27.542 -2.129 -13.294 1.00 26.98 N ATOM 619 CA ASP A 681 26.534 -2.625 -14.234 1.00 28.03 C ATOM 620 C ASP A 681 25.203 -1.918 -13.948 1.00 26.22 C ATOM 621 O ASP A 681 24.890 -1.644 -12.794 1.00 22.96 O ATOM 622 CB ASP A 681 26.386 -4.152 -14.106 1.00 28.94 C ATOM 623 CG ASP A 681 25.435 -4.750 -15.130 1.00 32.44 C ATOM 624 OD1 ASP A 681 25.876 -5.016 -16.267 1.00 30.07 O ATOM 625 OD2 ASP A 681 24.247 -4.970 -14.803 1.00 30.97 O ATOM 626 H ASP A 681 27.231 -1.799 -12.358 1.00 0.00 H ATOM 627 N PRO A 682 24.417 -1.617 -14.995 1.00 24.35 N ATOM 628 CA PRO A 682 23.118 -0.955 -14.802 1.00 35.82 C ATOM 629 C PRO A 682 22.152 -1.719 -13.883 1.00 29.95 C ATOM 630 O PRO A 682 21.250 -1.106 -13.283 1.00 26.86 O ATOM 631 CB PRO A 682 22.552 -0.891 -16.224 1.00 34.87 C ATOM 632 CG PRO A 682 23.755 -0.918 -17.106 1.00 33.67 C ATOM 633 CD PRO A 682 24.708 -1.840 -16.420 1.00 22.76 C ATOM 634 N ASN A 683 22.326 -3.034 -13.769 1.00 21.15 N ATOM 635 CA ASN A 683 21.390 -3.820 -12.975 1.00 17.51 C ATOM 636 C ASN A 683 21.998 -4.371 -11.676 1.00 21.09 C ATOM 637 O ASN A 683 21.442 -5.276 -11.055 1.00 21.06 O ATOM 638 CB ASN A 683 20.816 -4.958 -13.833 1.00 22.10 C ATOM 639 CG ASN A 683 19.939 -4.443 -14.959 1.00 23.11 C ATOM 640 OD1 ASN A 683 20.210 -4.702 -16.124 1.00 25.94 O ATOM 641 ND2 ASN A 683 18.878 -3.715 -14.610 1.00 24.56 N ATOM 642 HD22 ASN A 683 18.688 -3.521 -13.606 1.00 0.00 H ATOM 643 HD21 ASN A 683 18.240 -3.341 -15.342 1.00 0.00 H ATOM 644 H ASN A 683 23.126 -3.498 -14.244 1.00 0.00 H ATOM 645 N ILE A 684 23.133 -3.797 -11.265 1.00 23.36 N ATOM 646 CA ILE A 684 23.745 -4.082 -9.971 1.00 23.30 C ATOM 647 C ILE A 684 23.881 -2.764 -9.197 1.00 24.44 C ATOM 648 O ILE A 684 24.159 -1.722 -9.786 1.00 25.49 O ATOM 649 CB ILE A 684 25.155 -4.752 -10.122 1.00 19.60 C ATOM 650 CG1 ILE A 684 25.076 -6.002 -11.003 1.00 20.20 C ATOM 651 CG2 ILE A 684 25.778 -5.067 -8.749 1.00 17.04 C ATOM 652 CD1 ILE A 684 24.265 -7.152 -10.391 1.00 23.38 C ATOM 653 H ILE A 684 23.602 -3.116 -11.896 1.00 0.00 H ATOM 654 N ILE A 685 23.687 -2.809 -7.883 1.00 20.79 N ATOM 655 CA ILE A 685 23.934 -1.631 -7.048 1.00 25.04 C ATOM 656 C ILE A 685 25.338 -1.072 -7.362 1.00 23.43 C ATOM 657 O ILE A 685 26.300 -1.835 -7.459 1.00 26.11 O ATOM 658 CB ILE A 685 23.819 -1.973 -5.551 1.00 21.34 C ATOM 659 CG1 ILE A 685 22.395 -2.431 -5.206 1.00 30.08 C ATOM 660 CG2 ILE A 685 24.227 -0.764 -4.695 1.00 25.30 C ATOM 661 CD1 ILE A 685 21.327 -1.357 -5.378 1.00 25.45 C ATOM 662 H ILE A 685 23.356 -3.691 -7.442 1.00 0.00 H ATOM 663 N ARG A 686 25.451 0.239 -7.555 1.00 26.29 N ATOM 664 CA ARG A 686 26.734 0.824 -7.924 1.00 28.82 C ATOM 665 C ARG A 686 27.222 1.807 -6.867 1.00 26.77 C ATOM 666 O ARG A 686 26.439 2.465 -6.197 1.00 28.57 O ATOM 667 CB ARG A 686 26.651 1.512 -9.297 1.00 26.40 C ATOM 668 CG ARG A 686 25.646 2.645 -9.401 1.00 26.82 C ATOM 669 CD ARG A 686 25.722 3.332 -10.762 1.00 33.29 C ATOM 670 NE ARG A 686 24.715 4.380 -10.907 1.00 30.44 N ATOM 671 CZ ARG A 686 24.883 5.478 -11.633 1.00 33.28 C ATOM 672 NH1 ARG A 686 26.026 5.681 -12.281 1.00 36.19 N ATOM 673 NH2 ARG A 686 23.914 6.383 -11.700 1.00 37.49 N ATOM 674 HE ARG A 686 23.810 4.258 -10.410 1.00 0.00 H ATOM 675 HH12 ARG A 686 26.156 6.542 -12.849 1.00 0.00 H ATOM 676 HH11 ARG A 686 26.790 4.979 -12.219 1.00 0.00 H ATOM 677 HH22 ARG A 686 24.045 7.244 -12.269 1.00 0.00 H ATOM 678 HH21 ARG A 686 23.024 6.231 -11.184 1.00 0.00 H ATOM 679 H ARG A 686 24.618 0.851 -7.442 1.00 0.00 H ATOM 680 N LEU A 687 28.537 1.876 -6.703 1.00 24.19 N ATOM 681 CA LEU A 687 29.121 2.791 -5.743 1.00 23.09 C ATOM 682 C LEU A 687 29.289 4.145 -6.422 1.00 29.65 C ATOM 683 O LEU A 687 30.174 4.306 -7.263 1.00 39.20 O ATOM 684 CB LEU A 687 30.464 2.246 -5.249 1.00 32.23 C ATOM 685 CG LEU A 687 31.100 2.800 -3.976 1.00 40.43 C ATOM 686 CD1 LEU A 687 30.199 2.580 -2.777 1.00 39.48 C ATOM 687 CD2 LEU A 687 32.448 2.137 -3.761 1.00 42.06 C ATOM 688 H LEU A 687 29.157 1.265 -7.272 1.00 0.00 H ATOM 689 N LEU A 688 28.448 5.113 -6.066 1.00 31.54 N ATOM 690 CA LEU A 688 28.547 6.463 -6.632 1.00 29.76 C ATOM 691 C LEU A 688 29.688 7.249 -6.017 1.00 34.72 C ATOM 692 O LEU A 688 30.279 8.124 -6.659 1.00 33.12 O ATOM 693 CB LEU A 688 27.245 7.245 -6.428 1.00 31.02 C ATOM 694 CG LEU A 688 26.009 6.764 -7.189 1.00 37.67 C ATOM 695 CD1 LEU A 688 24.900 7.780 -7.036 1.00 33.54 C ATOM 696 CD2 LEU A 688 26.327 6.525 -8.661 1.00 40.35 C ATOM 697 H LEU A 688 27.703 4.908 -5.370 1.00 0.00 H ATOM 698 N GLY A 689 29.979 6.958 -4.757 1.00 32.14 N ATOM 699 CA GLY A 689 31.018 7.680 -4.052 1.00 29.17 C ATOM 700 C GLY A 689 31.277 7.133 -2.665 1.00 34.31 C ATOM 701 O GLY A 689 30.507 6.316 -2.152 1.00 32.62 O ATOM 702 H GLY A 689 29.456 6.203 -4.269 1.00 0.00 H ATOM 703 N VAL A 690 32.391 7.564 -2.080 1.00 31.04 N ATOM 704 CA VAL A 690 32.704 7.280 -0.683 1.00 34.65 C ATOM 705 C VAL A 690 33.126 8.576 -0.018 1.00 35.98 C ATOM 706 O VAL A 690 33.561 9.511 -0.695 1.00 35.97 O ATOM 707 CB VAL A 690 33.825 6.229 -0.527 1.00 39.81 C ATOM 708 CG1 VAL A 690 33.419 4.919 -1.164 1.00 36.65 C ATOM 709 CG2 VAL A 690 35.117 6.734 -1.142 1.00 47.95 C ATOM 710 H VAL A 690 33.065 8.125 -2.639 1.00 0.00 H ATOM 711 N CYS A 691 33.008 8.644 1.302 1.00 41.90 N ATOM 712 CA CYS A 691 33.440 9.842 2.017 1.00 50.76 C ATOM 713 C CYS A 691 34.960 9.843 2.146 1.00 57.28 C ATOM 714 O CYS A 691 35.577 8.781 2.245 1.00 55.48 O ATOM 715 CB CYS A 691 32.779 9.930 3.392 1.00 55.10 C ATOM 716 SG CYS A 691 30.980 10.173 3.340 1.00 61.68 S ATOM 717 H CYS A 691 32.607 7.842 1.829 1.00 0.00 H ATOM 718 N VAL A 692 35.555 11.034 2.129 1.00 62.67 N ATOM 719 CA VAL A 692 37.007 11.177 2.222 1.00 66.39 C ATOM 720 C VAL A 692 37.544 10.647 3.550 1.00 70.18 C ATOM 721 O VAL A 692 36.819 10.593 4.544 1.00 71.70 O ATOM 722 CB VAL A 692 37.445 12.649 2.049 1.00 69.23 C ATOM 723 CG1 VAL A 692 37.184 13.115 0.630 1.00 73.10 C ATOM 724 CG2 VAL A 692 36.732 13.548 3.052 1.00 61.68 C ATOM 725 H VAL A 692 34.969 11.889 2.047 1.00 0.00 H ATOM 726 N GLN A 693 38.821 10.265 3.546 1.00 75.53 N ATOM 727 CA GLN A 693 39.482 9.626 4.686 1.00 76.70 C ATOM 728 C GLN A 693 39.260 10.328 6.031 1.00 77.36 C ATOM 729 O GLN A 693 39.128 9.667 7.062 1.00 74.30 O ATOM 730 CB GLN A 693 40.983 9.526 4.413 1.00 83.44 C ATOM 731 CG GLN A 693 41.633 10.867 4.110 1.00 92.58 C ATOM 732 CD GLN A 693 43.140 10.784 4.001 1.00 99.64 C ATOM 733 OE1 GLN A 693 43.688 9.772 3.563 1.00104.38 O ATOM 734 NE2 GLN A 693 43.822 11.851 4.403 1.00 99.15 N ATOM 735 HE22 GLN A 693 43.317 12.684 4.766 1.00 0.00 H ATOM 736 HE21 GLN A 693 44.861 11.853 4.354 1.00 0.00 H ATOM 737 H GLN A 693 39.380 10.430 2.684 1.00 0.00 H ATOM 738 N ASP A 694 39.223 11.659 6.014 1.00 83.81 N ATOM 739 CA ASP A 694 39.025 12.447 7.229 1.00 89.04 C ATOM 740 C ASP A 694 37.695 12.133 7.892 1.00 87.50 C ATOM 741 O ASP A 694 37.620 11.903 9.099 1.00 89.75 O ATOM 742 CB ASP A 694 39.088 13.949 6.923 1.00 94.52 C ATOM 743 CG ASP A 694 40.480 14.417 6.550 1.00 99.15 C ATOM 744 OD1 ASP A 694 41.438 13.626 6.688 1.00101.68 O ATOM 745 OD2 ASP A 694 40.617 15.585 6.130 1.00100.29 O ATOM 746 H ASP A 694 39.339 12.154 5.107 1.00 0.00 H ATOM 747 N ASP A 695 36.647 12.122 7.079 1.00 83.84 N ATOM 748 CA ASP A 695 35.278 12.016 7.561 1.00 80.54 C ATOM 749 C ASP A 695 34.933 10.622 8.078 1.00 64.43 C ATOM 750 O ASP A 695 35.636 9.652 7.780 1.00 56.79 O ATOM 751 CB ASP A 695 34.317 12.414 6.436 1.00 89.33 C ATOM 752 CG ASP A 695 34.592 13.809 5.908 1.00 96.32 C ATOM 753 OD1 ASP A 695 35.648 14.378 6.258 1.00 97.57 O ATOM 754 OD2 ASP A 695 33.761 14.334 5.139 1.00100.00 O ATOM 755 H ASP A 695 36.810 12.192 6.054 1.00 0.00 H ATOM 756 N PRO A 696 33.859 10.529 8.880 1.00 54.53 N ATOM 757 CA PRO A 696 33.265 9.239 9.230 1.00 49.71 C ATOM 758 C PRO A 696 32.903 8.455 7.972 1.00 40.00 C ATOM 759 O PRO A 696 32.509 9.056 6.970 1.00 33.19 O ATOM 760 CB PRO A 696 32.016 9.631 10.018 1.00 47.97 C ATOM 761 CG PRO A 696 32.360 10.934 10.617 1.00 51.32 C ATOM 762 CD PRO A 696 33.223 11.637 9.612 1.00 50.81 C ATOM 763 N LEU A 697 33.048 7.136 8.032 1.00 33.16 N ATOM 764 CA LEU A 697 32.926 6.297 6.848 1.00 30.39 C ATOM 765 C LEU A 697 31.542 6.395 6.220 1.00 30.85 C ATOM 766 O LEU A 697 30.545 6.475 6.916 1.00 26.99 O ATOM 767 CB LEU A 697 33.229 4.835 7.192 1.00 30.18 C ATOM 768 CG LEU A 697 34.672 4.522 7.609 1.00 24.90 C ATOM 769 CD1 LEU A 697 34.848 3.022 7.816 1.00 37.99 C ATOM 770 CD2 LEU A 697 35.638 5.044 6.570 1.00 31.86 C ATOM 771 H LEU A 697 33.254 6.691 8.949 1.00 0.00 H ATOM 772 N CYS A 698 31.491 6.384 4.898 1.00 35.25 N ATOM 773 CA CYS A 698 30.219 6.267 4.210 1.00 30.30 C ATOM 774 C CYS A 698 30.392 5.733 2.797 1.00 29.77 C ATOM 775 O CYS A 698 31.462 5.852 2.192 1.00 32.50 O ATOM 776 CB CYS A 698 29.495 7.615 4.177 1.00 33.68 C ATOM 777 SG CYS A 698 29.844 8.597 2.713 1.00 42.75 S ATOM 778 H CYS A 698 32.370 6.460 4.347 1.00 0.00 H ATOM 779 N MET A 699 29.334 5.101 2.303 1.00 23.26 N ATOM 780 CA MET A 699 29.200 4.708 0.906 1.00 25.71 C ATOM 781 C MET A 699 27.954 5.387 0.376 1.00 28.34 C ATOM 782 O MET A 699 26.992 5.556 1.118 1.00 28.92 O ATOM 783 CB MET A 699 29.062 3.189 0.758 1.00 25.01 C ATOM 784 CG MET A 699 30.340 2.411 0.858 1.00 33.01 C ATOM 785 SD MET A 699 29.982 0.674 0.544 1.00 33.89 S ATOM 786 CE MET A 699 29.509 0.159 2.190 1.00 32.52 C ATOM 787 H MET A 699 28.554 4.873 2.952 1.00 0.00 H ATOM 788 N ILE A 700 27.968 5.766 -0.894 1.00 23.28 N ATOM 789 CA ILE A 700 26.828 6.447 -1.518 1.00 22.29 C ATOM 790 C ILE A 700 26.373 5.681 -2.754 1.00 24.76 C ATOM 791 O ILE A 700 27.200 5.298 -3.583 1.00 29.38 O ATOM 792 CB ILE A 700 27.188 7.878 -1.936 1.00 28.85 C ATOM 793 CG1 ILE A 700 27.825 8.632 -0.767 1.00 32.88 C ATOM 794 CG2 ILE A 700 25.956 8.629 -2.438 1.00 28.10 C ATOM 795 CD1 ILE A 700 28.233 10.039 -1.123 1.00 36.94 C ATOM 796 H ILE A 700 28.815 5.574 -1.467 1.00 0.00 H ATOM 797 N THR A 701 25.071 5.458 -2.890 1.00 26.73 N ATOM 798 CA THR A 701 24.546 4.822 -4.098 1.00 28.62 C ATOM 799 C THR A 701 23.263 5.505 -4.550 1.00 24.49 C ATOM 800 O THR A 701 22.776 6.408 -3.879 1.00 24.65 O ATOM 801 CB THR A 701 24.277 3.319 -3.886 1.00 22.96 C ATOM 802 OG1 THR A 701 23.993 2.701 -5.150 1.00 28.67 O ATOM 803 CG2 THR A 701 23.107 3.108 -2.952 1.00 26.23 C ATOM 804 HG1 THR A 701 24.769 2.816 -5.754 1.00 0.00 H ATOM 805 H THR A 701 24.418 5.738 -2.130 1.00 0.00 H ATOM 806 N ASP A 702 22.718 5.068 -5.681 1.00 26.76 N ATOM 807 CA ASP A 702 21.450 5.605 -6.178 1.00 32.35 C ATOM 808 C ASP A 702 20.298 5.296 -5.227 1.00 30.53 C ATOM 809 O ASP A 702 20.234 4.226 -4.619 1.00 25.42 O ATOM 810 CB ASP A 702 21.105 5.030 -7.561 1.00 34.13 C ATOM 811 CG ASP A 702 22.210 5.218 -8.566 1.00 37.33 C ATOM 812 OD1 ASP A 702 23.098 4.337 -8.652 1.00 36.98 O ATOM 813 OD2 ASP A 702 22.189 6.244 -9.276 1.00 34.58 O ATOM 814 H ASP A 702 23.204 4.327 -6.226 1.00 0.00 H ATOM 815 N TYR A 703 19.371 6.236 -5.123 1.00 26.00 N ATOM 816 CA TYR A 703 18.128 5.990 -4.426 1.00 28.92 C ATOM 817 C TYR A 703 17.148 5.255 -5.344 1.00 33.60 C ATOM 818 O TYR A 703 16.824 5.718 -6.430 1.00 30.03 O ATOM 819 CB TYR A 703 17.538 7.308 -3.925 1.00 28.29 C ATOM 820 CG TYR A 703 16.198 7.178 -3.225 1.00 24.26 C ATOM 821 CD1 TYR A 703 16.001 6.237 -2.220 1.00 23.28 C ATOM 822 CD2 TYR A 703 15.143 8.010 -3.558 1.00 28.71 C ATOM 823 CE1 TYR A 703 14.783 6.128 -1.576 1.00 34.62 C ATOM 824 CE2 TYR A 703 13.923 7.914 -2.915 1.00 37.55 C ATOM 825 CZ TYR A 703 13.750 6.969 -1.927 1.00 36.10 C ATOM 826 OH TYR A 703 12.536 6.870 -1.284 1.00 40.36 O ATOM 827 HH TYR A 703 12.580 6.148 -0.608 1.00 0.00 H ATOM 828 H TYR A 703 19.540 7.169 -5.551 1.00 0.00 H ATOM 829 N MET A 704 16.716 4.083 -4.901 1.00 25.49 N ATOM 830 CA MET A 704 15.746 3.265 -5.631 1.00 27.25 C ATOM 831 C MET A 704 14.394 3.440 -4.966 1.00 29.61 C ATOM 832 O MET A 704 14.114 2.800 -3.957 1.00 29.84 O ATOM 833 CB MET A 704 16.185 1.800 -5.632 1.00 27.27 C ATOM 834 CG MET A 704 17.583 1.624 -6.164 1.00 24.03 C ATOM 835 SD MET A 704 17.692 2.044 -7.908 1.00 32.28 S ATOM 836 CE MET A 704 16.883 0.608 -8.604 1.00 30.44 C ATOM 837 H MET A 704 17.082 3.729 -3.994 1.00 0.00 H ATOM 838 N GLU A 705 13.561 4.307 -5.540 1.00 27.31 N ATOM 839 CA GLU A 705 12.425 4.887 -4.815 1.00 33.76 C ATOM 840 C GLU A 705 11.319 3.900 -4.496 1.00 38.38 C ATOM 841 O GLU A 705 10.495 4.159 -3.622 1.00 39.23 O ATOM 842 CB GLU A 705 11.832 6.065 -5.603 1.00 37.40 C ATOM 843 CG GLU A 705 11.271 5.703 -6.981 1.00 45.03 C ATOM 844 CD GLU A 705 10.634 6.893 -7.692 1.00 60.53 C ATOM 845 OE1 GLU A 705 9.977 6.683 -8.734 1.00 67.31 O ATOM 846 OE2 GLU A 705 10.786 8.037 -7.211 1.00 62.71 O ATOM 847 H GLU A 705 13.721 4.581 -6.531 1.00 0.00 H ATOM 848 N ASN A 706 11.290 2.776 -5.204 1.00 29.40 N ATOM 849 CA ASN A 706 10.191 1.833 -5.039 1.00 27.50 C ATOM 850 C ASN A 706 10.534 0.649 -4.128 1.00 25.64 C ATOM 851 O ASN A 706 9.738 -0.284 -3.997 1.00 30.68 O ATOM 852 CB ASN A 706 9.715 1.345 -6.401 1.00 32.35 C ATOM 853 CG ASN A 706 8.862 2.370 -7.103 1.00 35.64 C ATOM 854 OD1 ASN A 706 7.948 2.937 -6.505 1.00 32.06 O ATOM 855 ND2 ASN A 706 9.173 2.644 -8.365 1.00 39.58 N ATOM 856 HD22 ASN A 706 9.954 2.139 -8.829 1.00 0.00 H ATOM 857 HD21 ASN A 706 8.635 3.364 -8.889 1.00 0.00 H ATOM 858 H ASN A 706 12.054 2.568 -5.878 1.00 0.00 H ATOM 859 N GLY A 707 11.695 0.703 -3.476 1.00 24.72 N ATOM 860 CA GLY A 707 12.019 -0.253 -2.424 1.00 31.55 C ATOM 861 C GLY A 707 12.335 -1.662 -2.902 1.00 27.83 C ATOM 862 O GLY A 707 12.622 -1.868 -4.077 1.00 25.37 O ATOM 863 H GLY A 707 12.384 1.442 -3.723 1.00 0.00 H ATOM 864 N ASP A 708 12.278 -2.649 -2.013 1.00 22.33 N ATOM 865 CA ASP A 708 12.714 -3.973 -2.442 1.00 25.07 C ATOM 866 C ASP A 708 11.626 -4.607 -3.315 1.00 27.59 C ATOM 867 O ASP A 708 10.434 -4.297 -3.194 1.00 29.08 O ATOM 868 CB ASP A 708 13.163 -4.856 -1.242 1.00 31.90 C ATOM 869 CG ASP A 708 12.045 -5.674 -0.590 1.00 36.76 C ATOM 870 OD1 ASP A 708 11.235 -6.329 -1.276 1.00 31.48 O ATOM 871 OD2 ASP A 708 12.033 -5.712 0.662 1.00 37.45 O ATOM 872 H ASP A 708 11.935 -2.483 -1.046 1.00 0.00 H ATOM 873 N LEU A 709 12.067 -5.478 -4.218 1.00 23.16 N ATOM 874 CA LEU A 709 11.217 -6.029 -5.262 1.00 26.96 C ATOM 875 C LEU A 709 10.113 -6.923 -4.722 1.00 22.69 C ATOM 876 O LEU A 709 9.034 -6.963 -5.290 1.00 24.56 O ATOM 877 CB LEU A 709 12.073 -6.813 -6.270 1.00 19.45 C ATOM 878 CG LEU A 709 11.366 -7.505 -7.439 1.00 18.63 C ATOM 879 CD1 LEU A 709 10.622 -6.497 -8.302 1.00 18.65 C ATOM 880 CD2 LEU A 709 12.376 -8.304 -8.291 1.00 22.08 C ATOM 881 H LEU A 709 13.062 -5.778 -4.176 1.00 0.00 H ATOM 882 N ASN A 710 10.393 -7.648 -3.636 1.00 21.80 N ATOM 883 CA ASN A 710 9.400 -8.519 -3.020 1.00 20.47 C ATOM 884 C ASN A 710 8.166 -7.738 -2.514 1.00 25.95 C ATOM 885 O ASN A 710 7.011 -8.107 -2.795 1.00 24.08 O ATOM 886 CB ASN A 710 10.032 -9.322 -1.870 1.00 18.33 C ATOM 887 CG ASN A 710 9.087 -10.387 -1.339 1.00 29.83 C ATOM 888 OD1 ASN A 710 8.141 -10.081 -0.617 1.00 32.67 O ATOM 889 ND2 ASN A 710 9.325 -11.631 -1.711 1.00 28.88 N ATOM 890 HD22 ASN A 710 10.138 -11.844 -2.323 1.00 0.00 H ATOM 891 HD21 ASN A 710 8.699 -12.398 -1.392 1.00 0.00 H ATOM 892 H ASN A 710 11.344 -7.590 -3.219 1.00 0.00 H ATOM 893 N GLN A 711 8.408 -6.659 -1.778 1.00 28.37 N ATOM 894 CA GLN A 711 7.313 -5.792 -1.319 1.00 31.47 C ATOM 895 C GLN A 711 6.584 -5.151 -2.493 1.00 29.62 C ATOM 896 O GLN A 711 5.367 -4.933 -2.451 1.00 28.56 O ATOM 897 CB GLN A 711 7.842 -4.698 -0.392 1.00 38.03 C ATOM 898 CG GLN A 711 8.334 -5.182 0.956 1.00 53.26 C ATOM 899 CD GLN A 711 8.597 -4.040 1.926 1.00 69.84 C ATOM 900 OE1 GLN A 711 9.739 -3.800 2.328 1.00 75.06 O ATOM 901 NE2 GLN A 711 7.536 -3.332 2.314 1.00 71.26 N ATOM 902 HE22 GLN A 711 6.591 -3.569 1.950 1.00 0.00 H ATOM 903 HE21 GLN A 711 7.653 -2.543 2.981 1.00 0.00 H ATOM 904 H GLN A 711 9.388 -6.424 -1.522 1.00 0.00 H ATOM 905 N PHE A 712 7.342 -4.832 -3.536 1.00 28.08 N ATOM 906 CA PHE A 712 6.806 -4.140 -4.704 1.00 28.09 C ATOM 907 C PHE A 712 5.832 -5.045 -5.470 1.00 30.44 C ATOM 908 O PHE A 712 4.696 -4.659 -5.756 1.00 32.70 O ATOM 909 CB PHE A 712 7.965 -3.669 -5.597 1.00 24.68 C ATOM 910 CG PHE A 712 7.530 -2.865 -6.804 1.00 25.99 C ATOM 911 CD1 PHE A 712 7.203 -1.524 -6.687 1.00 28.75 C ATOM 912 CD2 PHE A 712 7.468 -3.456 -8.060 1.00 25.63 C ATOM 913 CE1 PHE A 712 6.819 -0.787 -7.788 1.00 36.68 C ATOM 914 CE2 PHE A 712 7.091 -2.709 -9.177 1.00 33.37 C ATOM 915 CZ PHE A 712 6.763 -1.383 -9.033 1.00 33.65 C ATOM 916 H PHE A 712 8.351 -5.084 -3.520 1.00 0.00 H ATOM 917 N LEU A 713 6.270 -6.263 -5.776 1.00 29.55 N ATOM 918 CA LEU A 713 5.422 -7.214 -6.488 1.00 30.13 C ATOM 919 C LEU A 713 4.222 -7.647 -5.646 1.00 28.17 C ATOM 920 O LEU A 713 3.120 -7.845 -6.166 1.00 28.56 O ATOM 921 CB LEU A 713 6.250 -8.427 -6.915 1.00 26.44 C ATOM 922 CG LEU A 713 7.140 -8.169 -8.135 1.00 22.70 C ATOM 923 CD1 LEU A 713 7.861 -9.454 -8.541 1.00 27.48 C ATOM 924 CD2 LEU A 713 6.307 -7.651 -9.278 1.00 35.16 C ATOM 925 H LEU A 713 7.234 -6.543 -5.503 1.00 0.00 H ATOM 926 N SER A 714 4.427 -7.802 -4.343 1.00 24.71 N ATOM 927 CA SER A 714 3.317 -8.137 -3.437 1.00 24.24 C ATOM 928 C SER A 714 2.184 -7.113 -3.496 1.00 29.26 C ATOM 929 O SER A 714 1.027 -7.442 -3.202 1.00 35.85 O ATOM 930 CB SER A 714 3.823 -8.260 -1.999 1.00 28.41 C ATOM 931 OG SER A 714 4.735 -9.331 -1.907 1.00 34.15 O ATOM 932 HG SER A 714 5.501 -9.164 -2.512 1.00 0.00 H ATOM 933 H SER A 714 5.386 -7.685 -3.957 1.00 0.00 H ATOM 934 N ALA A 715 2.508 -5.877 -3.875 1.00 29.92 N ATOM 935 CA ALA A 715 1.494 -4.815 -3.962 1.00 28.38 C ATOM 936 C ALA A 715 0.852 -4.688 -5.336 1.00 27.94 C ATOM 937 O ALA A 715 0.027 -3.791 -5.553 1.00 36.64 O ATOM 938 CB ALA A 715 2.098 -3.484 -3.564 1.00 34.11 C ATOM 939 H ALA A 715 3.497 -5.659 -4.114 1.00 0.00 H ATOM 940 N HIS A 716 1.228 -5.557 -6.272 1.00 29.72 N ATOM 941 CA HIS A 716 0.604 -5.554 -7.607 1.00 34.97 C ATOM 942 C HIS A 716 -0.153 -6.853 -7.846 1.00 33.70 C ATOM 943 O HIS A 716 0.176 -7.872 -7.242 1.00 38.33 O ATOM 944 CB HIS A 716 1.652 -5.373 -8.718 1.00 33.17 C ATOM 945 CG HIS A 716 2.292 -4.021 -8.746 1.00 33.44 C ATOM 946 ND1 HIS A 716 3.288 -3.648 -7.870 1.00 40.88 N ATOM 947 CD2 HIS A 716 2.076 -2.950 -9.547 1.00 36.08 C ATOM 948 CE1 HIS A 716 3.656 -2.406 -8.128 1.00 40.10 C ATOM 949 NE2 HIS A 716 2.939 -1.961 -9.142 1.00 42.88 N ATOM 950 H HIS A 716 1.974 -6.249 -6.058 1.00 0.00 H ATOM 951 N GLN A 717 -1.162 -6.830 -8.717 1.00 30.75 N ATOM 952 CA GLN A 717 -1.706 -8.081 -9.243 1.00 38.71 C ATOM 953 C GLN A 717 -1.559 -8.102 -10.759 1.00 35.75 C ATOM 954 O GLN A 717 -1.392 -7.056 -11.386 1.00 34.76 O ATOM 955 CB GLN A 717 -3.168 -8.281 -8.818 1.00 44.40 C ATOM 956 CG GLN A 717 -4.030 -7.050 -8.898 1.00 50.62 C ATOM 957 CD GLN A 717 -5.372 -7.213 -8.180 1.00 58.87 C ATOM 958 OE1 GLN A 717 -5.659 -8.255 -7.578 1.00 50.40 O ATOM 959 NE2 GLN A 717 -6.197 -6.174 -8.241 1.00 68.78 N ATOM 960 HE22 GLN A 717 -5.916 -5.317 -8.758 1.00 0.00 H ATOM 961 HE21 GLN A 717 -7.124 -6.218 -7.772 1.00 0.00 H ATOM 962 H GLN A 717 -1.563 -5.920 -9.023 1.00 0.00 H ATOM 963 N LEU A 718 -1.598 -9.291 -11.347 1.00 36.00 N ATOM 964 CA LEU A 718 -1.459 -9.409 -12.793 1.00 32.71 C ATOM 965 C LEU A 718 -2.648 -8.759 -13.497 1.00 34.39 C ATOM 966 O LEU A 718 -3.806 -8.991 -13.134 1.00 34.26 O ATOM 967 CB LEU A 718 -1.333 -10.877 -13.201 1.00 33.89 C ATOM 968 CG LEU A 718 -1.048 -11.123 -14.684 1.00 37.04 C ATOM 969 CD1 LEU A 718 0.416 -10.858 -14.984 1.00 33.66 C ATOM 970 CD2 LEU A 718 -1.449 -12.529 -15.105 1.00 37.75 C ATOM 971 H LEU A 718 -1.729 -10.147 -10.771 1.00 0.00 H ATOM 972 N GLU A 719 -2.365 -7.931 -14.499 1.00 30.76 N ATOM 973 CA GLU A 719 -3.433 -7.247 -15.218 1.00 37.72 C ATOM 974 C GLU A 719 -4.420 -8.251 -15.814 1.00 36.01 C ATOM 975 O GLU A 719 -4.044 -9.348 -16.237 1.00 34.16 O ATOM 976 CB GLU A 719 -2.860 -6.334 -16.306 1.00 41.93 C ATOM 977 CG GLU A 719 -2.426 -7.036 -17.579 1.00 47.42 C ATOM 978 CD GLU A 719 -1.899 -6.069 -18.634 1.00 56.49 C ATOM 979 OE1 GLU A 719 -1.892 -4.838 -18.391 1.00 52.39 O ATOM 980 OE2 GLU A 719 -1.486 -6.548 -19.711 1.00 62.42 O ATOM 981 H GLU A 719 -1.374 -7.770 -14.772 1.00 0.00 H ATOM 982 N ASP A 720 -5.688 -7.867 -15.798 1.00 34.71 N ATOM 983 CA ASP A 720 -6.789 -8.676 -16.307 1.00 42.33 C ATOM 984 C ASP A 720 -6.895 -8.549 -17.827 1.00 50.97 C ATOM 985 O ASP A 720 -6.802 -9.541 -18.549 1.00 55.06 O ATOM 986 CB ASP A 720 -8.092 -8.242 -15.626 1.00 41.97 C ATOM 987 CG ASP A 720 -9.275 -9.138 -15.966 1.00 54.13 C ATOM 988 OD1 ASP A 720 -9.167 -9.984 -16.879 1.00 57.63 O ATOM 989 OD2 ASP A 720 -10.331 -8.982 -15.311 1.00 53.38 O ATOM 990 H ASP A 720 -5.911 -6.933 -15.399 1.00 0.00 H ATOM 991 N LYS A 721 -7.111 -7.328 -18.305 1.00 49.99 N ATOM 992 CA LYS A 721 -7.064 -7.043 -19.740 1.00 61.20 C ATOM 993 C LYS A 721 -5.854 -6.173 -20.071 1.00 65.61 C ATOM 994 O LYS A 721 -5.539 -5.229 -19.341 1.00 68.90 O ATOM 995 CB LYS A 721 -8.345 -6.353 -20.216 1.00 64.91 C ATOM 996 CG LYS A 721 -9.539 -7.274 -20.376 1.00 69.47 C ATOM 997 CD LYS A 721 -10.218 -7.537 -19.049 1.00 73.21 C ATOM 998 CE LYS A 721 -11.397 -8.470 -19.217 1.00 76.28 C ATOM 999 NZ LYS A 721 -12.033 -8.754 -17.905 1.00 82.07 N ATOM 1000 HZ1 LYS A 721 -11.338 -9.200 -17.273 1.00 0.00 H ATOM 1001 HZ2 LYS A 721 -12.366 -7.864 -17.482 1.00 0.00 H ATOM 1002 HZ3 LYS A 721 -12.839 -9.396 -18.044 1.00 0.00 H ATOM 1003 H LYS A 721 -7.319 -6.554 -17.642 1.00 0.00 H ATOM 1004 N ALA A 722 -5.188 -6.491 -21.178 1.00 60.21 N ATOM 1005 CA ALA A 722 -3.959 -5.805 -21.565 1.00 56.71 C ATOM 1006 C ALA A 722 -4.194 -4.326 -21.887 1.00 51.45 C ATOM 1007 O ALA A 722 -5.074 -3.991 -22.678 1.00 45.81 O ATOM 1008 CB ALA A 722 -3.318 -6.513 -22.757 1.00 56.57 C ATOM 1009 H ALA A 722 -5.554 -7.251 -21.786 1.00 0.00 H ATOM 1010 N ALA A 723 -3.403 -3.456 -21.259 1.00 46.49 N ATOM 1011 CA ALA A 723 -3.432 -2.012 -21.525 1.00 47.98 C ATOM 1012 C ALA A 723 -4.801 -1.360 -21.298 1.00 54.74 C ATOM 1013 O ALA A 723 -5.262 -0.567 -22.125 1.00 50.52 O ATOM 1014 CB ALA A 723 -2.958 -1.741 -22.947 1.00 37.90 C ATOM 1015 H ALA A 723 -2.735 -3.816 -20.548 1.00 0.00 H ATOM 1016 N GLU A 724 -5.438 -1.686 -20.175 1.00 69.04 N ATOM 1017 CA GLU A 724 -6.742 -1.119 -19.820 1.00 75.55 C ATOM 1018 C GLU A 724 -6.582 -0.098 -18.689 1.00 71.73 C ATOM 1019 O GLU A 724 -7.450 0.749 -18.464 1.00 71.83 O ATOM 1020 CB GLU A 724 -7.716 -2.235 -19.410 1.00 85.87 C ATOM 1021 CG GLU A 724 -9.126 -1.775 -19.037 1.00 96.76 C ATOM 1022 CD GLU A 724 -9.891 -2.809 -18.219 1.00104.49 C ATOM 1023 OE1 GLU A 724 -9.850 -4.009 -18.570 1.00105.44 O ATOM 1024 OE2 GLU A 724 -10.530 -2.421 -17.217 1.00107.45 O ATOM 1025 H GLU A 724 -4.994 -2.367 -19.527 1.00 0.00 H ATOM 1026 N GLY A 725 -5.454 -0.176 -17.991 1.00 65.11 N ATOM 1027 CA GLY A 725 -5.213 0.667 -16.834 1.00 64.95 C ATOM 1028 C GLY A 725 -4.462 1.957 -17.111 1.00 64.58 C ATOM 1029 O GLY A 725 -4.216 2.327 -18.265 1.00 59.17 O ATOM 1030 H GLY A 725 -4.725 -0.859 -18.281 1.00 0.00 H ATOM 1031 N ALA A 726 -4.104 2.646 -16.032 1.00 65.62 N ATOM 1032 CA ALA A 726 -3.380 3.907 -16.106 1.00 65.81 C ATOM 1033 C ALA A 726 -2.017 3.758 -15.426 1.00 73.69 C ATOM 1034 O ALA A 726 -1.795 2.791 -14.689 1.00 74.72 O ATOM 1035 CB ALA A 726 -4.198 5.024 -15.457 1.00 62.29 C ATOM 1036 H ALA A 726 -4.352 2.268 -15.095 1.00 0.00 H ATOM 1037 N PRO A 727 -1.089 4.697 -15.680 1.00 78.68 N ATOM 1038 CA PRO A 727 0.161 4.617 -14.917 1.00 83.76 C ATOM 1039 C PRO A 727 -0.094 4.815 -13.423 1.00 88.62 C ATOM 1040 O PRO A 727 -0.886 5.679 -13.040 1.00 92.21 O ATOM 1041 CB PRO A 727 1.009 5.757 -15.498 1.00 80.76 C ATOM 1042 CG PRO A 727 0.024 6.682 -16.144 1.00 79.16 C ATOM 1043 CD PRO A 727 -1.071 5.802 -16.656 1.00 79.36 C ATOM 1044 N GLY A 728 0.553 4.003 -12.594 1.00 88.58 N ATOM 1045 CA GLY A 728 0.380 4.089 -11.156 1.00 89.76 C ATOM 1046 C GLY A 728 -0.582 3.050 -10.610 1.00 89.34 C ATOM 1047 O GLY A 728 -0.613 2.801 -9.404 1.00 92.45 O ATOM 1048 H GLY A 728 1.199 3.288 -12.985 1.00 0.00 H ATOM 1049 N ASP A 729 -1.373 2.453 -11.499 1.00 82.86 N ATOM 1050 CA ASP A 729 -2.309 1.397 -11.122 1.00 73.06 C ATOM 1051 C ASP A 729 -1.604 0.243 -10.415 1.00 66.32 C ATOM 1052 O ASP A 729 -0.453 -0.068 -10.727 1.00 67.72 O ATOM 1053 CB ASP A 729 -3.042 0.869 -12.356 1.00 67.71 C ATOM 1054 CG ASP A 729 -4.290 1.657 -12.676 1.00 69.94 C ATOM 1055 OD1 ASP A 729 -4.368 2.841 -12.286 1.00 67.79 O ATOM 1056 OD2 ASP A 729 -5.196 1.088 -13.320 1.00 72.99 O ATOM 1057 H ASP A 729 -1.323 2.748 -12.495 1.00 0.00 H ATOM 1058 N PRO A 730 -2.300 -0.407 -9.467 1.00 57.28 N ATOM 1059 CA PRO A 730 -1.732 -1.555 -8.753 1.00 52.96 C ATOM 1060 C PRO A 730 -1.683 -2.830 -9.602 1.00 46.79 C ATOM 1061 O PRO A 730 -1.872 -3.917 -9.063 1.00 50.24 O ATOM 1062 CB PRO A 730 -2.692 -1.734 -7.577 1.00 52.85 C ATOM 1063 CG PRO A 730 -4.008 -1.259 -8.118 1.00 54.22 C ATOM 1064 CD PRO A 730 -3.659 -0.082 -8.991 1.00 58.09 C ATOM 1065 N THR A 731 -1.467 -2.704 -10.907 1.00 44.61 N ATOM 1066 CA THR A 731 -1.433 -3.878 -11.767 1.00 38.04 C ATOM 1067 C THR A 731 -0.153 -3.902 -12.571 1.00 37.37 C ATOM 1068 O THR A 731 0.496 -2.875 -12.757 1.00 36.13 O ATOM 1069 CB THR A 731 -2.630 -3.941 -12.735 1.00 41.53 C ATOM 1070 OG1 THR A 731 -2.607 -2.803 -13.601 1.00 42.31 O ATOM 1071 CG2 THR A 731 -3.953 -3.988 -11.964 1.00 45.72 C ATOM 1072 HG1 THR A 731 -3.377 -2.846 -14.222 1.00 0.00 H ATOM 1073 H THR A 731 -1.321 -1.759 -11.317 1.00 0.00 H ATOM 1074 N ILE A 732 0.207 -5.093 -13.034 1.00 34.28 N ATOM 1075 CA ILE A 732 1.448 -5.296 -13.762 1.00 31.07 C ATOM 1076 C ILE A 732 1.173 -6.306 -14.880 1.00 31.55 C ATOM 1077 O ILE A 732 0.390 -7.237 -14.704 1.00 34.97 O ATOM 1078 CB ILE A 732 2.578 -5.772 -12.818 1.00 26.63 C ATOM 1079 CG1 ILE A 732 3.957 -5.664 -13.482 1.00 25.38 C ATOM 1080 CG2 ILE A 732 2.325 -7.182 -12.318 1.00 31.21 C ATOM 1081 CD1 ILE A 732 5.088 -5.933 -12.539 1.00 25.85 C ATOM 1082 H ILE A 732 -0.419 -5.907 -12.870 1.00 0.00 H ATOM 1083 N SER A 733 1.774 -6.098 -16.047 1.00 30.21 N ATOM 1084 CA SER A 733 1.530 -6.982 -17.183 1.00 26.09 C ATOM 1085 C SER A 733 2.507 -8.149 -17.211 1.00 25.73 C ATOM 1086 O SER A 733 3.586 -8.083 -16.620 1.00 23.74 O ATOM 1087 CB SER A 733 1.628 -6.211 -18.494 1.00 28.83 C ATOM 1088 OG SER A 733 2.984 -5.949 -18.794 1.00 30.53 O ATOM 1089 HG SER A 733 3.384 -5.410 -18.066 1.00 0.00 H ATOM 1090 H SER A 733 2.427 -5.295 -16.152 1.00 0.00 H ATOM 1091 N TYR A 734 2.135 -9.215 -17.916 1.00 23.46 N ATOM 1092 CA TYR A 734 3.057 -10.336 -18.077 1.00 28.24 C ATOM 1093 C TYR A 734 4.354 -9.891 -18.776 1.00 21.94 C ATOM 1094 O TYR A 734 5.440 -10.237 -18.321 1.00 21.85 O ATOM 1095 CB TYR A 734 2.384 -11.496 -18.835 1.00 23.88 C ATOM 1096 CG TYR A 734 3.348 -12.601 -19.200 1.00 26.57 C ATOM 1097 CD1 TYR A 734 3.972 -13.371 -18.224 1.00 29.63 C ATOM 1098 CD2 TYR A 734 3.636 -12.868 -20.528 1.00 33.33 C ATOM 1099 CE1 TYR A 734 4.855 -14.372 -18.569 1.00 30.30 C ATOM 1100 CE2 TYR A 734 4.516 -13.859 -20.880 1.00 31.64 C ATOM 1101 CZ TYR A 734 5.122 -14.609 -19.905 1.00 30.26 C ATOM 1102 OH TYR A 734 5.994 -15.603 -20.284 1.00 29.51 O ATOM 1103 HH TYR A 734 5.517 -16.262 -20.848 1.00 0.00 H ATOM 1104 H TYR A 734 1.191 -9.249 -18.351 1.00 0.00 H ATOM 1105 N PRO A 735 4.265 -9.103 -19.865 1.00 24.79 N ATOM 1106 CA PRO A 735 5.558 -8.647 -20.396 1.00 25.30 C ATOM 1107 C PRO A 735 6.374 -7.769 -19.433 1.00 24.95 C ATOM 1108 O PRO A 735 7.592 -7.739 -19.560 1.00 25.18 O ATOM 1109 CB PRO A 735 5.159 -7.848 -21.636 1.00 29.14 C ATOM 1110 CG PRO A 735 3.849 -8.452 -22.063 1.00 28.24 C ATOM 1111 CD PRO A 735 3.152 -8.742 -20.770 1.00 27.99 C ATOM 1112 N MET A 736 5.746 -7.068 -18.496 1.00 22.75 N ATOM 1113 CA MET A 736 6.550 -6.329 -17.519 1.00 23.56 C ATOM 1114 C MET A 736 7.231 -7.273 -16.540 1.00 23.57 C ATOM 1115 O MET A 736 8.362 -7.027 -16.126 1.00 19.69 O ATOM 1116 CB MET A 736 5.713 -5.312 -16.744 1.00 23.00 C ATOM 1117 CG MET A 736 6.548 -4.477 -15.787 1.00 23.56 C ATOM 1118 SD MET A 736 7.763 -3.464 -16.683 1.00 29.37 S ATOM 1119 CE MET A 736 6.715 -2.177 -17.339 1.00 29.27 C ATOM 1120 H MET A 736 4.707 -7.044 -18.457 1.00 0.00 H ATOM 1121 N LEU A 737 6.553 -8.351 -16.160 1.00 22.50 N ATOM 1122 CA LEU A 737 7.195 -9.378 -15.348 1.00 19.03 C ATOM 1123 C LEU A 737 8.436 -9.951 -16.031 1.00 18.63 C ATOM 1124 O LEU A 737 9.466 -10.133 -15.398 1.00 21.80 O ATOM 1125 CB LEU A 737 6.216 -10.507 -15.036 1.00 27.33 C ATOM 1126 CG LEU A 737 5.034 -10.079 -14.166 1.00 24.64 C ATOM 1127 CD1 LEU A 737 4.102 -11.263 -13.938 1.00 24.30 C ATOM 1128 CD2 LEU A 737 5.572 -9.553 -12.849 1.00 24.33 C ATOM 1129 H LEU A 737 5.559 -8.463 -16.443 1.00 0.00 H ATOM 1130 N LEU A 738 8.339 -10.205 -17.330 1.00 21.84 N ATOM 1131 CA LEU A 738 9.497 -10.642 -18.108 1.00 23.68 C ATOM 1132 C LEU A 738 10.621 -9.608 -18.089 1.00 26.24 C ATOM 1133 O LEU A 738 11.795 -9.960 -17.998 1.00 21.92 O ATOM 1134 CB LEU A 738 9.103 -10.914 -19.553 1.00 21.57 C ATOM 1135 CG LEU A 738 8.098 -12.031 -19.803 1.00 25.91 C ATOM 1136 CD1 LEU A 738 7.731 -12.123 -21.286 1.00 29.14 C ATOM 1137 CD2 LEU A 738 8.613 -13.360 -19.269 1.00 27.40 C ATOM 1138 H LEU A 738 7.420 -10.091 -17.804 1.00 0.00 H ATOM 1139 N HIS A 739 10.250 -8.337 -18.224 1.00 22.75 N ATOM 1140 CA HIS A 739 11.215 -7.239 -18.222 1.00 25.72 C ATOM 1141 C HIS A 739 11.958 -7.154 -16.889 1.00 25.87 C ATOM 1142 O HIS A 739 13.171 -6.950 -16.849 1.00 25.12 O ATOM 1143 CB HIS A 739 10.497 -5.925 -18.521 1.00 34.38 C ATOM 1144 CG HIS A 739 11.371 -4.715 -18.422 1.00 35.01 C ATOM 1145 ND1 HIS A 739 12.512 -4.555 -19.177 1.00 38.52 N ATOM 1146 CD2 HIS A 739 11.258 -3.597 -17.667 1.00 35.70 C ATOM 1147 CE1 HIS A 739 13.070 -3.394 -18.883 1.00 37.12 C ATOM 1148 NE2 HIS A 739 12.326 -2.789 -17.975 1.00 34.67 N ATOM 1149 H HIS A 739 9.239 -8.118 -18.335 1.00 0.00 H ATOM 1150 N VAL A 740 11.218 -7.311 -15.798 1.00 22.55 N ATOM 1151 CA VAL A 740 11.803 -7.383 -14.471 1.00 19.38 C ATOM 1152 C VAL A 740 12.787 -8.543 -14.338 1.00 20.47 C ATOM 1153 O VAL A 740 13.895 -8.367 -13.850 1.00 21.82 O ATOM 1154 CB VAL A 740 10.713 -7.527 -13.397 1.00 22.82 C ATOM 1155 CG1 VAL A 740 11.324 -7.890 -12.048 1.00 26.11 C ATOM 1156 CG2 VAL A 740 9.884 -6.224 -13.322 1.00 22.31 C ATOM 1157 H VAL A 740 10.185 -7.385 -15.897 1.00 0.00 H ATOM 1158 N ALA A 741 12.350 -9.734 -14.728 1.00 24.47 N ATOM 1159 CA ALA A 741 13.183 -10.920 -14.627 1.00 23.88 C ATOM 1160 C ALA A 741 14.404 -10.838 -15.552 1.00 24.05 C ATOM 1161 O ALA A 741 15.489 -11.299 -15.189 1.00 22.08 O ATOM 1162 CB ALA A 741 12.359 -12.166 -14.939 1.00 21.75 C ATOM 1163 H ALA A 741 11.389 -9.820 -15.115 1.00 0.00 H ATOM 1164 N ALA A 742 14.225 -10.258 -16.738 1.00 22.47 N ATOM 1165 CA ALA A 742 15.332 -10.116 -17.698 1.00 25.27 C ATOM 1166 C ALA A 742 16.427 -9.210 -17.128 1.00 24.58 C ATOM 1167 O ALA A 742 17.613 -9.476 -17.294 1.00 24.13 O ATOM 1168 CB ALA A 742 14.836 -9.570 -19.039 1.00 23.04 C ATOM 1169 H ALA A 742 13.283 -9.898 -16.991 1.00 0.00 H ATOM 1170 N GLN A 743 16.026 -8.141 -16.451 1.00 19.89 N ATOM 1171 CA GLN A 743 16.992 -7.262 -15.810 1.00 18.31 C ATOM 1172 C GLN A 743 17.801 -7.965 -14.734 1.00 22.00 C ATOM 1173 O GLN A 743 18.998 -7.717 -14.608 1.00 21.48 O ATOM 1174 CB GLN A 743 16.293 -6.049 -15.204 1.00 19.07 C ATOM 1175 CG GLN A 743 15.816 -5.066 -16.231 1.00 22.42 C ATOM 1176 CD GLN A 743 15.097 -3.919 -15.575 1.00 28.66 C ATOM 1177 OE1 GLN A 743 15.727 -3.034 -15.009 1.00 24.94 O ATOM 1178 NE2 GLN A 743 13.771 -3.945 -15.613 1.00 23.61 N ATOM 1179 HE22 GLN A 743 13.280 -4.718 -16.106 1.00 0.00 H ATOM 1180 HE21 GLN A 743 13.223 -3.193 -15.150 1.00 0.00 H ATOM 1181 H GLN A 743 15.010 -7.929 -16.378 1.00 0.00 H ATOM 1182 N ILE A 744 17.153 -8.823 -13.951 1.00 18.15 N ATOM 1183 CA ILE A 744 17.864 -9.602 -12.939 1.00 22.46 C ATOM 1184 C ILE A 744 18.833 -10.536 -13.665 1.00 19.29 C ATOM 1185 O ILE A 744 20.002 -10.680 -13.282 1.00 20.86 O ATOM 1186 CB ILE A 744 16.882 -10.394 -12.024 1.00 21.12 C ATOM 1187 CG1 ILE A 744 16.000 -9.425 -11.227 1.00 19.79 C ATOM 1188 CG2 ILE A 744 17.663 -11.277 -11.056 1.00 20.79 C ATOM 1189 CD1 ILE A 744 14.710 -10.043 -10.668 1.00 27.13 C ATOM 1190 H ILE A 744 16.126 -8.941 -14.060 1.00 0.00 H ATOM 1191 N ALA A 745 18.367 -11.122 -14.760 1.00 17.94 N ATOM 1192 CA ALA A 745 19.212 -12.042 -15.532 1.00 22.37 C ATOM 1193 C ALA A 745 20.420 -11.306 -16.100 1.00 23.77 C ATOM 1194 O ALA A 745 21.528 -11.851 -16.186 1.00 27.19 O ATOM 1195 CB ALA A 745 18.397 -12.688 -16.658 1.00 21.79 C ATOM 1196 H ALA A 745 17.395 -10.928 -15.074 1.00 0.00 H ATOM 1197 N SER A 746 20.212 -10.060 -16.496 1.00 19.43 N ATOM 1198 CA SER A 746 21.310 -9.284 -17.085 1.00 20.78 C ATOM 1199 C SER A 746 22.353 -8.946 -16.013 1.00 18.63 C ATOM 1200 O SER A 746 23.573 -8.991 -16.254 1.00 23.21 O ATOM 1201 CB SER A 746 20.776 -8.009 -17.751 1.00 22.28 C ATOM 1202 OG SER A 746 21.805 -7.348 -18.482 1.00 25.82 O ATOM 1203 HG SER A 746 22.540 -7.102 -17.866 1.00 0.00 H ATOM 1204 H SER A 746 19.271 -9.631 -16.390 1.00 0.00 H ATOM 1205 N GLY A 747 21.874 -8.592 -14.831 1.00 19.23 N ATOM 1206 CA GLY A 747 22.756 -8.312 -13.710 1.00 21.42 C ATOM 1207 C GLY A 747 23.564 -9.543 -13.370 1.00 21.80 C ATOM 1208 O GLY A 747 24.785 -9.475 -13.173 1.00 22.09 O ATOM 1209 H GLY A 747 20.845 -8.513 -14.702 1.00 0.00 H ATOM 1210 N MET A 748 22.902 -10.695 -13.337 1.00 18.31 N ATOM 1211 CA MET A 748 23.614 -11.927 -13.012 1.00 20.65 C ATOM 1212 C MET A 748 24.624 -12.331 -14.094 1.00 24.49 C ATOM 1213 O MET A 748 25.713 -12.827 -13.773 1.00 23.51 O ATOM 1214 CB MET A 748 22.614 -13.059 -12.752 1.00 20.38 C ATOM 1215 CG MET A 748 21.763 -12.862 -11.469 1.00 23.18 C ATOM 1216 SD MET A 748 22.726 -12.593 -9.934 1.00 23.24 S ATOM 1217 CE MET A 748 23.463 -14.201 -9.735 1.00 21.53 C ATOM 1218 H MET A 748 21.883 -10.718 -13.542 1.00 0.00 H ATOM 1219 N ARG A 749 24.266 -12.112 -15.360 1.00 24.54 N ATOM 1220 CA ARG A 749 25.164 -12.335 -16.499 1.00 24.14 C ATOM 1221 C ARG A 749 26.457 -11.544 -16.304 1.00 27.19 C ATOM 1222 O ARG A 749 27.570 -12.065 -16.511 1.00 24.37 O ATOM 1223 CB ARG A 749 24.460 -11.937 -17.810 1.00 22.54 C ATOM 1224 CG ARG A 749 25.289 -12.136 -19.084 1.00 24.18 C ATOM 1225 CD ARG A 749 24.490 -11.759 -20.344 1.00 29.04 C ATOM 1226 NE ARG A 749 23.841 -10.450 -20.231 1.00 28.53 N ATOM 1227 CZ ARG A 749 22.977 -9.964 -21.125 1.00 34.24 C ATOM 1228 NH1 ARG A 749 22.651 -10.675 -22.195 1.00 36.86 N ATOM 1229 NH2 ARG A 749 22.434 -8.767 -20.952 1.00 35.65 N ATOM 1230 HE ARG A 749 24.068 -9.863 -19.403 1.00 0.00 H ATOM 1231 HH12 ARG A 749 21.977 -10.292 -22.889 1.00 0.00 H ATOM 1232 HH11 ARG A 749 23.069 -11.616 -22.341 1.00 0.00 H ATOM 1233 HH22 ARG A 749 21.762 -8.395 -21.653 1.00 0.00 H ATOM 1234 HH21 ARG A 749 22.680 -8.200 -20.116 1.00 0.00 H ATOM 1235 H ARG A 749 23.304 -11.766 -15.549 1.00 0.00 H ATOM 1236 N TYR A 750 26.302 -10.291 -15.880 1.00 23.68 N ATOM 1237 CA TYR A 750 27.451 -9.452 -15.565 1.00 23.99 C ATOM 1238 C TYR A 750 28.296 -10.037 -14.436 1.00 25.46 C ATOM 1239 O TYR A 750 29.520 -10.092 -14.556 1.00 27.98 O ATOM 1240 CB TYR A 750 27.014 -8.044 -15.183 1.00 25.99 C ATOM 1241 CG TYR A 750 28.149 -7.213 -14.617 1.00 25.69 C ATOM 1242 CD1 TYR A 750 29.121 -6.683 -15.449 1.00 24.67 C ATOM 1243 CD2 TYR A 750 28.259 -6.980 -13.243 1.00 25.59 C ATOM 1244 CE1 TYR A 750 30.169 -5.929 -14.947 1.00 30.91 C ATOM 1245 CE2 TYR A 750 29.315 -6.207 -12.725 1.00 24.73 C ATOM 1246 CZ TYR A 750 30.261 -5.696 -13.584 1.00 26.91 C ATOM 1247 OH TYR A 750 31.311 -4.929 -13.102 1.00 25.15 O ATOM 1248 HH TYR A 750 31.888 -4.650 -13.857 1.00 0.00 H ATOM 1249 H TYR A 750 25.343 -9.904 -15.772 1.00 0.00 H ATOM 1250 N LEU A 751 27.660 -10.453 -13.341 1.00 22.29 N ATOM 1251 CA LEU A 751 28.415 -11.001 -12.213 1.00 22.24 C ATOM 1252 C LEU A 751 29.197 -12.232 -12.654 1.00 22.49 C ATOM 1253 O LEU A 751 30.357 -12.428 -12.259 1.00 24.60 O ATOM 1254 CB LEU A 751 27.488 -11.338 -11.030 1.00 23.86 C ATOM 1255 CG LEU A 751 26.797 -10.148 -10.335 1.00 21.77 C ATOM 1256 CD1 LEU A 751 26.013 -10.625 -9.129 1.00 18.97 C ATOM 1257 CD2 LEU A 751 27.817 -9.060 -9.932 1.00 22.01 C ATOM 1258 H LEU A 751 26.623 -10.388 -13.288 1.00 0.00 H ATOM 1259 N ALA A 752 28.585 -13.051 -13.508 1.00 23.45 N ATOM 1260 CA ALA A 752 29.262 -14.244 -14.020 1.00 25.51 C ATOM 1261 C ALA A 752 30.548 -13.913 -14.769 1.00 27.83 C ATOM 1262 O ALA A 752 31.508 -14.686 -14.704 1.00 26.38 O ATOM 1263 CB ALA A 752 28.326 -15.045 -14.919 1.00 23.33 C ATOM 1264 H ALA A 752 27.614 -12.840 -13.815 1.00 0.00 H ATOM 1265 N THR A 753 30.579 -12.787 -15.487 1.00 29.11 N ATOM 1266 CA THR A 753 31.787 -12.411 -16.235 1.00 23.35 C ATOM 1267 C THR A 753 32.895 -12.015 -15.268 1.00 29.67 C ATOM 1268 O THR A 753 34.069 -11.993 -15.625 1.00 35.33 O ATOM 1269 CB THR A 753 31.563 -11.236 -17.223 1.00 31.25 C ATOM 1270 OG1 THR A 753 31.356 -10.014 -16.496 1.00 30.53 O ATOM 1271 CG2 THR A 753 30.385 -11.509 -18.162 1.00 31.18 C ATOM 1272 HG1 THR A 753 30.560 -10.108 -15.915 1.00 0.00 H ATOM 1273 H THR A 753 29.741 -12.171 -15.517 1.00 0.00 H ATOM 1274 N LEU A 754 32.511 -11.687 -14.039 1.00 28.29 N ATOM 1275 CA LEU A 754 33.485 -11.346 -13.010 1.00 28.14 C ATOM 1276 C LEU A 754 33.899 -12.569 -12.196 1.00 30.59 C ATOM 1277 O LEU A 754 34.740 -12.464 -11.314 1.00 29.78 O ATOM 1278 CB LEU A 754 32.922 -10.285 -12.069 1.00 28.54 C ATOM 1279 CG LEU A 754 32.611 -8.893 -12.624 1.00 32.04 C ATOM 1280 CD1 LEU A 754 32.332 -7.937 -11.470 1.00 29.21 C ATOM 1281 CD2 LEU A 754 33.731 -8.371 -13.499 1.00 34.87 C ATOM 1282 H LEU A 754 31.497 -11.673 -13.807 1.00 0.00 H ATOM 1283 N ASN A 755 33.299 -13.718 -12.493 1.00 26.62 N ATOM 1284 CA ASN A 755 33.371 -14.884 -11.606 1.00 31.06 C ATOM 1285 C ASN A 755 33.010 -14.506 -10.165 1.00 29.42 C ATOM 1286 O ASN A 755 33.610 -14.964 -9.187 1.00 28.57 O ATOM 1287 CB ASN A 755 34.758 -15.523 -11.687 1.00 36.45 C ATOM 1288 CG ASN A 755 35.043 -16.106 -13.058 1.00 45.43 C ATOM 1289 OD1 ASN A 755 34.222 -16.835 -13.613 1.00 46.92 O ATOM 1290 ND2 ASN A 755 36.207 -15.786 -13.612 1.00 49.88 N ATOM 1291 HD22 ASN A 755 36.871 -15.166 -13.106 1.00 0.00 H ATOM 1292 HD21 ASN A 755 36.455 -16.156 -14.552 1.00 0.00 H ATOM 1293 H ASN A 755 32.763 -13.792 -13.381 1.00 0.00 H ATOM 1294 N PHE A 756 31.996 -13.661 -10.046 1.00 23.07 N ATOM 1295 CA PHE A 756 31.513 -13.179 -8.766 1.00 21.41 C ATOM 1296 C PHE A 756 30.295 -14.003 -8.414 1.00 26.46 C ATOM 1297 O PHE A 756 29.321 -14.006 -9.153 1.00 24.83 O ATOM 1298 CB PHE A 756 31.161 -11.685 -8.856 1.00 24.71 C ATOM 1299 CG PHE A 756 30.764 -11.054 -7.542 1.00 22.56 C ATOM 1300 CD1 PHE A 756 29.474 -11.204 -7.035 1.00 25.27 C ATOM 1301 CD2 PHE A 756 31.676 -10.283 -6.836 1.00 32.01 C ATOM 1302 CE1 PHE A 756 29.104 -10.606 -5.840 1.00 29.46 C ATOM 1303 CE2 PHE A 756 31.320 -9.677 -5.646 1.00 32.83 C ATOM 1304 CZ PHE A 756 30.019 -9.843 -5.141 1.00 31.65 C ATOM 1305 H PHE A 756 31.524 -13.328 -10.911 1.00 0.00 H ATOM 1306 N VAL A 757 30.348 -14.712 -7.295 1.00 23.08 N ATOM 1307 CA VAL A 757 29.197 -15.511 -6.895 1.00 24.10 C ATOM 1308 C VAL A 757 28.383 -14.753 -5.849 1.00 23.20 C ATOM 1309 O VAL A 757 28.911 -14.267 -4.858 1.00 22.37 O ATOM 1310 CB VAL A 757 29.645 -16.891 -6.377 1.00 23.98 C ATOM 1311 CG1 VAL A 757 28.441 -17.733 -5.950 1.00 23.32 C ATOM 1312 CG2 VAL A 757 30.471 -17.617 -7.454 1.00 21.42 C ATOM 1313 H VAL A 757 31.205 -14.698 -6.707 1.00 0.00 H ATOM 1314 N HIS A 758 27.080 -14.635 -6.082 1.00 21.84 N ATOM 1315 CA HIS A 758 26.233 -13.839 -5.201 1.00 23.32 C ATOM 1316 C HIS A 758 25.907 -14.548 -3.888 1.00 23.44 C ATOM 1317 O HIS A 758 26.073 -13.961 -2.823 1.00 24.00 O ATOM 1318 CB HIS A 758 24.937 -13.465 -5.927 1.00 26.75 C ATOM 1319 CG HIS A 758 24.118 -12.435 -5.210 1.00 27.95 C ATOM 1320 ND1 HIS A 758 23.386 -12.721 -4.076 1.00 24.94 N ATOM 1321 CD2 HIS A 758 23.923 -11.116 -5.459 1.00 23.20 C ATOM 1322 CE1 HIS A 758 22.776 -11.627 -3.662 1.00 24.34 C ATOM 1323 NE2 HIS A 758 23.089 -10.638 -4.478 1.00 21.66 N ATOM 1324 H HIS A 758 26.659 -15.116 -6.902 1.00 0.00 H ATOM 1325 N ARG A 759 25.414 -15.789 -4.011 1.00 22.43 N ATOM 1326 CA ARG A 759 25.056 -16.684 -2.893 1.00 22.28 C ATOM 1327 C ARG A 759 23.710 -16.383 -2.213 1.00 22.08 C ATOM 1328 O ARG A 759 23.249 -17.175 -1.395 1.00 25.29 O ATOM 1329 CB ARG A 759 26.142 -16.700 -1.806 1.00 23.03 C ATOM 1330 CG ARG A 759 27.454 -17.348 -2.200 1.00 25.30 C ATOM 1331 CD ARG A 759 28.286 -17.654 -0.959 1.00 30.37 C ATOM 1332 NE ARG A 759 29.618 -18.141 -1.297 1.00 30.28 N ATOM 1333 CZ ARG A 759 30.384 -18.860 -0.482 1.00 32.66 C ATOM 1334 NH1 ARG A 759 31.585 -19.253 -0.879 1.00 32.92 N ATOM 1335 NH2 ARG A 759 29.948 -19.197 0.726 1.00 26.42 N ATOM 1336 HE ARG A 759 29.994 -17.911 -2.239 1.00 0.00 H ATOM 1337 HH12 ARG A 759 32.185 -19.815 -0.242 1.00 0.00 H ATOM 1338 HH11 ARG A 759 31.928 -18.999 -1.827 1.00 0.00 H ATOM 1339 HH22 ARG A 759 30.552 -19.760 1.359 1.00 0.00 H ATOM 1340 HH21 ARG A 759 29.002 -18.898 1.040 1.00 0.00 H ATOM 1341 H ARG A 759 25.272 -16.151 -4.975 1.00 0.00 H ATOM 1342 N ASP A 760 23.064 -15.257 -2.527 1.00 19.48 N ATOM 1343 CA ASP A 760 21.767 -14.959 -1.891 1.00 20.19 C ATOM 1344 C ASP A 760 20.782 -14.244 -2.828 1.00 14.85 C ATOM 1345 O ASP A 760 20.080 -13.334 -2.418 1.00 20.88 O ATOM 1346 CB ASP A 760 21.956 -14.107 -0.623 1.00 25.12 C ATOM 1347 CG ASP A 760 20.730 -14.144 0.311 1.00 28.55 C ATOM 1348 OD1 ASP A 760 19.775 -14.911 0.045 1.00 25.94 O ATOM 1349 OD2 ASP A 760 20.721 -13.413 1.324 1.00 24.41 O ATOM 1350 H ASP A 760 23.473 -14.594 -3.216 1.00 0.00 H ATOM 1351 N LEU A 761 20.695 -14.706 -4.068 1.00 21.26 N ATOM 1352 CA LEU A 761 19.765 -14.095 -5.004 1.00 22.32 C ATOM 1353 C LEU A 761 18.329 -14.459 -4.619 1.00 19.39 C ATOM 1354 O LEU A 761 18.021 -15.635 -4.356 1.00 18.70 O ATOM 1355 CB LEU A 761 20.074 -14.536 -6.436 1.00 20.14 C ATOM 1356 CG LEU A 761 19.142 -13.909 -7.476 1.00 20.32 C ATOM 1357 CD1 LEU A 761 19.270 -12.411 -7.428 1.00 20.47 C ATOM 1358 CD2 LEU A 761 19.369 -14.445 -8.893 1.00 24.87 C ATOM 1359 H LEU A 761 21.290 -15.503 -4.370 1.00 0.00 H ATOM 1360 N ALA A 762 17.475 -13.431 -4.572 1.00 18.36 N ATOM 1361 CA ALA A 762 16.050 -13.554 -4.235 1.00 19.29 C ATOM 1362 C ALA A 762 15.408 -12.189 -4.457 1.00 17.26 C ATOM 1363 O ALA A 762 16.115 -11.167 -4.467 1.00 17.69 O ATOM 1364 CB ALA A 762 15.853 -13.993 -2.803 1.00 21.24 C ATOM 1365 H ALA A 762 17.843 -12.483 -4.788 1.00 0.00 H ATOM 1366 N THR A 763 14.085 -12.132 -4.596 1.00 20.53 N ATOM 1367 CA THR A 763 13.473 -10.842 -4.880 1.00 19.40 C ATOM 1368 C THR A 763 13.666 -9.879 -3.716 1.00 20.62 C ATOM 1369 O THR A 763 13.761 -8.679 -3.944 1.00 20.02 O ATOM 1370 CB THR A 763 11.971 -10.953 -5.202 1.00 22.86 C ATOM 1371 OG1 THR A 763 11.283 -11.528 -4.084 1.00 19.87 O ATOM 1372 CG2 THR A 763 11.768 -11.808 -6.446 1.00 21.17 C ATOM 1373 HG1 THR A 763 11.649 -12.429 -3.901 1.00 0.00 H ATOM 1374 H THR A 763 13.503 -12.989 -4.504 1.00 0.00 H ATOM 1375 N ARG A 764 13.760 -10.402 -2.490 1.00 19.73 N ATOM 1376 CA ARG A 764 14.039 -9.568 -1.319 1.00 22.39 C ATOM 1377 C ARG A 764 15.376 -8.816 -1.433 1.00 18.53 C ATOM 1378 O ARG A 764 15.578 -7.827 -0.744 1.00 20.88 O ATOM 1379 CB ARG A 764 14.044 -10.407 -0.035 1.00 27.02 C ATOM 1380 CG ARG A 764 15.192 -11.398 0.060 1.00 23.87 C ATOM 1381 CD ARG A 764 15.136 -12.244 1.325 1.00 22.28 C ATOM 1382 NE ARG A 764 16.159 -13.292 1.240 1.00 26.59 N ATOM 1383 CZ ARG A 764 15.938 -14.499 0.739 1.00 22.97 C ATOM 1384 NH1 ARG A 764 14.728 -14.829 0.324 1.00 23.82 N ATOM 1385 NH2 ARG A 764 16.917 -15.374 0.639 1.00 24.19 N ATOM 1386 HE ARG A 764 17.113 -13.075 1.593 1.00 0.00 H ATOM 1387 HH12 ARG A 764 14.553 -15.776 -0.069 1.00 0.00 H ATOM 1388 HH11 ARG A 764 13.950 -14.142 0.391 1.00 0.00 H ATOM 1389 HH22 ARG A 764 16.732 -16.318 0.244 1.00 0.00 H ATOM 1390 HH21 ARG A 764 17.875 -15.121 0.955 1.00 0.00 H ATOM 1391 H ARG A 764 13.632 -11.426 -2.364 1.00 0.00 H ATOM 1392 N ASN A 765 16.286 -9.302 -2.275 1.00 16.59 N ATOM 1393 CA ASN A 765 17.608 -8.673 -2.411 1.00 17.60 C ATOM 1394 C ASN A 765 17.725 -7.818 -3.665 1.00 24.81 C ATOM 1395 O ASN A 765 18.816 -7.371 -4.029 1.00 27.13 O ATOM 1396 CB ASN A 765 18.708 -9.731 -2.390 1.00 18.86 C ATOM 1397 CG ASN A 765 19.177 -10.030 -0.992 1.00 26.18 C ATOM 1398 OD1 ASN A 765 19.214 -9.129 -0.141 1.00 26.70 O ATOM 1399 ND2 ASN A 765 19.550 -11.296 -0.733 1.00 21.71 N ATOM 1400 HD22 ASN A 765 19.500 -12.016 -1.482 1.00 0.00 H ATOM 1401 HD21 ASN A 765 19.888 -11.555 0.216 1.00 0.00 H ATOM 1402 H ASN A 765 16.058 -10.141 -2.846 1.00 0.00 H ATOM 1403 N CYS A 766 16.597 -7.578 -4.318 1.00 18.57 N ATOM 1404 CA CYS A 766 16.594 -6.685 -5.476 1.00 19.95 C ATOM 1405 C CYS A 766 15.881 -5.382 -5.131 1.00 23.45 C ATOM 1406 O CYS A 766 14.933 -5.392 -4.354 1.00 28.20 O ATOM 1407 CB CYS A 766 15.891 -7.331 -6.673 1.00 20.89 C ATOM 1408 SG CYS A 766 16.666 -8.842 -7.269 1.00 26.40 S ATOM 1409 H CYS A 766 15.712 -8.026 -4.006 1.00 0.00 H ATOM 1410 N LEU A 767 16.297 -4.281 -5.757 1.00 21.46 N ATOM 1411 CA LEU A 767 15.645 -2.995 -5.518 1.00 21.27 C ATOM 1412 C LEU A 767 14.989 -2.489 -6.796 1.00 22.57 C ATOM 1413 O LEU A 767 15.442 -2.801 -7.902 1.00 23.80 O ATOM 1414 CB LEU A 767 16.653 -1.961 -4.986 1.00 27.28 C ATOM 1415 CG LEU A 767 17.085 -2.111 -3.521 1.00 32.06 C ATOM 1416 CD1 LEU A 767 18.260 -1.209 -3.213 1.00 34.69 C ATOM 1417 CD2 LEU A 767 15.930 -1.803 -2.585 1.00 40.99 C ATOM 1418 H LEU A 767 17.094 -4.338 -6.423 1.00 0.00 H ATOM 1419 N VAL A 768 13.935 -1.694 -6.631 1.00 22.02 N ATOM 1420 CA VAL A 768 13.159 -1.172 -7.741 1.00 22.11 C ATOM 1421 C VAL A 768 13.249 0.361 -7.803 1.00 25.79 C ATOM 1422 O VAL A 768 12.963 1.064 -6.821 1.00 27.36 O ATOM 1423 CB VAL A 768 11.672 -1.611 -7.629 1.00 22.94 C ATOM 1424 CG1 VAL A 768 10.887 -1.208 -8.867 1.00 23.38 C ATOM 1425 CG2 VAL A 768 11.579 -3.113 -7.428 1.00 25.64 C ATOM 1426 H VAL A 768 13.655 -1.435 -5.664 1.00 0.00 H ATOM 1427 N GLY A 769 13.632 0.878 -8.965 1.00 24.96 N ATOM 1428 CA GLY A 769 13.693 2.314 -9.179 1.00 28.87 C ATOM 1429 C GLY A 769 12.503 2.845 -9.953 1.00 31.22 C ATOM 1430 O GLY A 769 11.412 2.279 -9.876 1.00 32.58 O ATOM 1431 H GLY A 769 13.895 0.238 -9.742 1.00 0.00 H ATOM 1432 N GLU A 770 12.709 3.932 -10.695 1.00 32.45 N ATOM 1433 CA GLU A 770 11.672 4.480 -11.568 1.00 36.12 C ATOM 1434 C GLU A 770 11.484 3.594 -12.788 1.00 31.35 C ATOM 1435 O GLU A 770 12.443 2.999 -13.276 1.00 35.24 O ATOM 1436 CB GLU A 770 12.027 5.892 -12.046 1.00 34.84 C ATOM 1437 CG GLU A 770 12.270 6.915 -10.961 1.00 52.41 C ATOM 1438 CD GLU A 770 12.691 8.258 -11.538 1.00 69.48 C ATOM 1439 OE1 GLU A 770 13.052 8.303 -12.736 1.00 72.75 O ATOM 1440 OE2 GLU A 770 12.656 9.267 -10.799 1.00 74.64 O ATOM 1441 H GLU A 770 13.634 4.405 -10.652 1.00 0.00 H ATOM 1442 N ASN A 771 10.258 3.538 -13.296 1.00 33.63 N ATOM 1443 CA ASN A 771 9.984 2.824 -14.538 1.00 38.49 C ATOM 1444 C ASN A 771 10.401 1.357 -14.482 1.00 35.05 C ATOM 1445 O ASN A 771 10.920 0.811 -15.464 1.00 33.69 O ATOM 1446 CB ASN A 771 10.687 3.519 -15.710 1.00 45.00 C ATOM 1447 CG ASN A 771 10.162 4.918 -15.952 1.00 49.19 C ATOM 1448 OD1 ASN A 771 9.025 5.092 -16.384 1.00 52.59 O ATOM 1449 ND2 ASN A 771 10.985 5.922 -15.675 1.00 46.29 N ATOM 1450 HD22 ASN A 771 11.939 5.727 -15.311 1.00 0.00 H ATOM 1451 HD21 ASN A 771 10.675 6.904 -15.822 1.00 0.00 H ATOM 1452 H ASN A 771 9.478 4.013 -12.798 1.00 0.00 H ATOM 1453 N PHE A 772 10.176 0.729 -13.331 1.00 24.80 N ATOM 1454 CA PHE A 772 10.448 -0.699 -13.157 1.00 28.38 C ATOM 1455 C PHE A 772 11.908 -1.092 -13.433 1.00 29.69 C ATOM 1456 O PHE A 772 12.181 -2.225 -13.848 1.00 28.28 O ATOM 1457 CB PHE A 772 9.533 -1.534 -14.056 1.00 29.27 C ATOM 1458 CG PHE A 772 8.068 -1.385 -13.742 1.00 37.73 C ATOM 1459 CD1 PHE A 772 7.317 -0.384 -14.333 1.00 44.49 C ATOM 1460 CD2 PHE A 772 7.449 -2.252 -12.849 1.00 38.19 C ATOM 1461 CE1 PHE A 772 5.974 -0.244 -14.039 1.00 43.95 C ATOM 1462 CE2 PHE A 772 6.105 -2.115 -12.551 1.00 37.15 C ATOM 1463 CZ PHE A 772 5.371 -1.113 -13.149 1.00 40.36 C ATOM 1464 H PHE A 772 9.795 1.270 -12.529 1.00 0.00 H ATOM 1465 N THR A 773 12.834 -0.165 -13.216 1.00 25.22 N ATOM 1466 CA THR A 773 14.260 -0.517 -13.238 1.00 19.66 C ATOM 1467 C THR A 773 14.626 -1.352 -12.010 1.00 23.42 C ATOM 1468 O THR A 773 14.165 -1.085 -10.902 1.00 24.31 O ATOM 1469 CB THR A 773 15.183 0.727 -13.291 1.00 31.92 C ATOM 1470 OG1 THR A 773 14.848 1.637 -12.230 1.00 41.77 O ATOM 1471 CG2 THR A 773 15.052 1.436 -14.627 1.00 33.12 C ATOM 1472 HG1 THR A 773 13.906 1.926 -12.330 1.00 0.00 H ATOM 1473 H THR A 773 12.547 0.817 -13.029 1.00 0.00 H ATOM 1474 N ILE A 774 15.466 -2.362 -12.214 1.00 23.26 N ATOM 1475 CA ILE A 774 15.822 -3.290 -11.151 1.00 20.97 C ATOM 1476 C ILE A 774 17.323 -3.284 -10.915 1.00 25.70 C ATOM 1477 O ILE A 774 18.106 -3.275 -11.867 1.00 23.93 O ATOM 1478 CB ILE A 774 15.394 -4.748 -11.488 1.00 21.35 C ATOM 1479 CG1 ILE A 774 13.919 -4.823 -11.868 1.00 23.64 C ATOM 1480 CG2 ILE A 774 15.697 -5.685 -10.326 1.00 22.81 C ATOM 1481 CD1 ILE A 774 12.973 -4.518 -10.728 1.00 25.73 C ATOM 1482 H ILE A 774 15.880 -2.493 -13.159 1.00 0.00 H ATOM 1483 N LYS A 775 17.729 -3.284 -9.647 1.00 22.63 N ATOM 1484 CA LYS A 775 19.138 -3.493 -9.318 1.00 21.65 C ATOM 1485 C LYS A 775 19.273 -4.573 -8.259 1.00 18.72 C ATOM 1486 O LYS A 775 18.548 -4.564 -7.285 1.00 22.28 O ATOM 1487 CB LYS A 775 19.780 -2.192 -8.838 1.00 22.62 C ATOM 1488 CG LYS A 775 20.111 -1.207 -9.991 1.00 25.27 C ATOM 1489 CD LYS A 775 20.669 0.101 -9.440 1.00 31.22 C ATOM 1490 CE LYS A 775 21.245 1.001 -10.545 1.00 38.16 C ATOM 1491 NZ LYS A 775 22.661 0.619 -10.889 1.00 46.72 N ATOM 1492 HZ1 LYS A 775 23.259 0.713 -10.043 1.00 0.00 H ATOM 1493 HZ2 LYS A 775 22.682 -0.366 -11.223 1.00 0.00 H ATOM 1494 HZ3 LYS A 775 23.016 1.247 -11.638 1.00 0.00 H ATOM 1495 H LYS A 775 17.038 -3.134 -8.884 1.00 0.00 H ATOM 1496 N ILE A 776 20.204 -5.502 -8.461 1.00 19.59 N ATOM 1497 CA ILE A 776 20.472 -6.541 -7.475 1.00 20.31 C ATOM 1498 C ILE A 776 21.342 -6.003 -6.356 1.00 21.76 C ATOM 1499 O ILE A 776 22.404 -5.439 -6.621 1.00 22.95 O ATOM 1500 CB ILE A 776 21.183 -7.756 -8.110 1.00 17.97 C ATOM 1501 CG1 ILE A 776 20.331 -8.340 -9.247 1.00 20.16 C ATOM 1502 CG2 ILE A 776 21.511 -8.808 -7.049 1.00 20.37 C ATOM 1503 CD1 ILE A 776 21.111 -9.321 -10.121 1.00 23.16 C ATOM 1504 H ILE A 776 20.754 -5.486 -9.344 1.00 0.00 H ATOM 1505 N ALA A 777 20.893 -6.191 -5.116 1.00 21.40 N ATOM 1506 CA ALA A 777 21.660 -5.806 -3.927 1.00 18.88 C ATOM 1507 C ALA A 777 22.033 -7.066 -3.164 1.00 18.59 C ATOM 1508 O ALA A 777 21.957 -8.167 -3.705 1.00 20.79 O ATOM 1509 CB ALA A 777 20.863 -4.856 -3.034 1.00 22.74 C ATOM 1510 H ALA A 777 19.959 -6.629 -4.986 1.00 0.00 H ATOM 1511 N ASP A 778 22.466 -6.903 -1.918 1.00 23.44 N ATOM 1512 CA ASP A 778 22.787 -8.037 -1.054 1.00 20.73 C ATOM 1513 C ASP A 778 22.678 -7.541 0.376 1.00 21.88 C ATOM 1514 O ASP A 778 23.679 -7.120 0.973 1.00 23.47 O ATOM 1515 CB ASP A 778 24.187 -8.591 -1.326 1.00 23.51 C ATOM 1516 CG ASP A 778 24.431 -9.923 -0.628 1.00 32.18 C ATOM 1517 OD1 ASP A 778 23.553 -10.363 0.146 1.00 36.32 O ATOM 1518 OD2 ASP A 778 25.509 -10.522 -0.849 1.00 38.68 O ATOM 1519 H ASP A 778 22.580 -5.938 -1.546 1.00 0.00 H ATOM 1520 N PHE A 779 21.461 -7.591 0.914 1.00 22.06 N ATOM 1521 CA PHE A 779 21.140 -6.966 2.189 1.00 23.66 C ATOM 1522 C PHE A 779 21.784 -7.689 3.350 1.00 27.00 C ATOM 1523 O PHE A 779 21.964 -7.125 4.424 1.00 28.18 O ATOM 1524 CB PHE A 779 19.620 -6.930 2.408 1.00 25.48 C ATOM 1525 CG PHE A 779 18.930 -5.816 1.695 1.00 21.35 C ATOM 1526 CD1 PHE A 779 18.717 -5.870 0.326 1.00 25.16 C ATOM 1527 CD2 PHE A 779 18.466 -4.715 2.394 1.00 25.79 C ATOM 1528 CE1 PHE A 779 18.062 -4.829 -0.341 1.00 25.21 C ATOM 1529 CE2 PHE A 779 17.812 -3.681 1.742 1.00 25.04 C ATOM 1530 CZ PHE A 779 17.604 -3.737 0.375 1.00 30.28 C ATOM 1531 H PHE A 779 20.710 -8.097 0.403 1.00 0.00 H ATOM 1532 N GLY A 780 22.122 -8.948 3.128 1.00 28.40 N ATOM 1533 CA GLY A 780 22.537 -9.801 4.219 1.00 29.09 C ATOM 1534 C GLY A 780 21.283 -10.429 4.801 1.00 32.82 C ATOM 1535 O GLY A 780 20.205 -10.360 4.208 1.00 33.72 O ATOM 1536 H GLY A 780 22.089 -9.328 2.160 1.00 0.00 H ATOM 1537 N MET A 781 21.407 -11.026 5.978 1.00 29.90 N ATOM 1538 CA MET A 781 20.346 -11.892 6.456 1.00 34.57 C ATOM 1539 C MET A 781 19.701 -11.475 7.770 1.00 39.11 C ATOM 1540 O MET A 781 19.204 -12.334 8.497 1.00 57.38 O ATOM 1541 CB MET A 781 20.908 -13.309 6.581 1.00 37.02 C ATOM 1542 CG MET A 781 21.747 -13.700 5.367 1.00 42.81 C ATOM 1543 SD MET A 781 22.770 -15.165 5.566 1.00 76.43 S ATOM 1544 CE MET A 781 22.778 -15.775 3.890 1.00 39.17 C ATOM 1545 H MET A 781 22.259 -10.875 6.555 1.00 0.00 H ATOM 1546 N SER A 782 19.665 -10.175 8.071 1.00 39.35 N ATOM 1547 CA SER A 782 19.160 -9.721 9.374 1.00 43.01 C ATOM 1548 C SER A 782 17.821 -8.951 9.395 1.00 46.60 C ATOM 1549 O SER A 782 17.317 -8.643 10.476 1.00 54.10 O ATOM 1550 CB SER A 782 20.217 -8.848 10.056 1.00 48.25 C ATOM 1551 OG SER A 782 20.249 -7.557 9.473 1.00 51.68 O ATOM 1552 HG SER A 782 20.469 -7.636 8.511 1.00 0.00 H ATOM 1553 H SER A 782 19.998 -9.476 7.376 1.00 0.00 H ATOM 1554 N ARG A 783 17.245 -8.617 8.241 1.00 33.72 N ATOM 1555 CA ARG A 783 15.931 -7.986 8.253 1.00 35.09 C ATOM 1556 C ARG A 783 14.923 -8.964 8.841 1.00 33.19 C ATOM 1557 O ARG A 783 14.766 -10.077 8.329 1.00 35.46 O ATOM 1558 CB ARG A 783 15.486 -7.557 6.851 1.00 33.31 C ATOM 1559 CG ARG A 783 16.191 -6.329 6.308 1.00 37.04 C ATOM 1560 CD ARG A 783 15.856 -6.108 4.835 1.00 32.18 C ATOM 1561 NE ARG A 783 16.327 -7.204 3.998 1.00 26.08 N ATOM 1562 CZ ARG A 783 16.095 -7.295 2.692 1.00 26.11 C ATOM 1563 NH1 ARG A 783 15.380 -6.354 2.076 1.00 32.37 N ATOM 1564 NH2 ARG A 783 16.557 -8.330 2.006 1.00 30.37 N ATOM 1565 HE ARG A 783 16.878 -7.961 4.450 1.00 0.00 H ATOM 1566 HH12 ARG A 783 15.198 -6.424 1.054 1.00 0.00 H ATOM 1567 HH11 ARG A 783 15.004 -5.549 2.617 1.00 0.00 H ATOM 1568 HH22 ARG A 783 16.375 -8.400 0.984 1.00 0.00 H ATOM 1569 HH21 ARG A 783 17.102 -9.073 2.489 1.00 0.00 H ATOM 1570 H ARG A 783 17.729 -8.805 7.340 1.00 0.00 H ATOM 1571 N ASN A 784 14.234 -8.553 9.900 1.00 35.98 N ATOM 1572 CA ASN A 784 13.256 -9.414 10.561 1.00 39.31 C ATOM 1573 C ASN A 784 12.161 -9.853 9.596 1.00 38.69 C ATOM 1574 O ASN A 784 11.648 -10.965 9.687 1.00 33.69 O ATOM 1575 CB ASN A 784 12.628 -8.700 11.766 1.00 42.01 C ATOM 1576 CG ASN A 784 13.635 -8.391 12.862 1.00 38.95 C ATOM 1577 OD1 ASN A 784 14.616 -9.110 13.043 1.00 36.71 O ATOM 1578 ND2 ASN A 784 13.390 -7.315 13.602 1.00 43.79 N ATOM 1579 HD22 ASN A 784 12.547 -6.735 13.414 1.00 0.00 H ATOM 1580 HD21 ASN A 784 14.041 -7.053 14.370 1.00 0.00 H ATOM 1581 H ASN A 784 14.395 -7.594 10.268 1.00 0.00 H ATOM 1582 N LEU A 785 11.810 -8.958 8.676 1.00 34.70 N ATOM 1583 CA LEU A 785 10.774 -9.212 7.679 1.00 29.45 C ATOM 1584 C LEU A 785 11.021 -10.510 6.888 1.00 28.93 C ATOM 1585 O LEU A 785 10.075 -11.176 6.463 1.00 30.64 O ATOM 1586 CB LEU A 785 10.683 -8.022 6.718 1.00 29.28 C ATOM 1587 CG LEU A 785 9.550 -8.054 5.694 1.00 38.52 C ATOM 1588 CD1 LEU A 785 8.218 -8.208 6.403 1.00 39.86 C ATOM 1589 CD2 LEU A 785 9.563 -6.804 4.830 1.00 36.80 C ATOM 1590 H LEU A 785 12.295 -8.038 8.667 1.00 0.00 H ATOM 1591 N TYR A 786 12.289 -10.873 6.706 1.00 26.31 N ATOM 1592 CA TYR A 786 12.638 -12.044 5.890 1.00 28.54 C ATOM 1593 C TYR A 786 13.294 -13.173 6.689 1.00 30.03 C ATOM 1594 O TYR A 786 13.882 -14.096 6.108 1.00 25.18 O ATOM 1595 CB TYR A 786 13.542 -11.617 4.732 1.00 24.48 C ATOM 1596 CG TYR A 786 12.839 -10.628 3.821 1.00 26.85 C ATOM 1597 CD1 TYR A 786 11.699 -11.001 3.127 1.00 26.39 C ATOM 1598 CD2 TYR A 786 13.289 -9.317 3.694 1.00 22.47 C ATOM 1599 CE1 TYR A 786 11.023 -10.103 2.320 1.00 18.76 C ATOM 1600 CE2 TYR A 786 12.621 -8.405 2.885 1.00 23.11 C ATOM 1601 CZ TYR A 786 11.481 -8.812 2.199 1.00 21.57 C ATOM 1602 OH TYR A 786 10.781 -7.955 1.379 1.00 22.67 O ATOM 1603 HH TYR A 786 11.375 -7.635 0.654 1.00 0.00 H ATOM 1604 H TYR A 786 13.047 -10.317 7.150 1.00 0.00 H ATOM 1605 N ALA A 787 13.163 -13.113 8.016 1.00 30.37 N ATOM 1606 CA ALA A 787 13.782 -14.105 8.895 1.00 28.42 C ATOM 1607 C ALA A 787 13.350 -15.525 8.526 1.00 31.94 C ATOM 1608 O ALA A 787 14.133 -16.462 8.643 1.00 27.07 O ATOM 1609 CB ALA A 787 13.448 -13.803 10.360 1.00 29.35 C ATOM 1610 H ALA A 787 12.607 -12.341 8.436 1.00 0.00 H ATOM 1611 N GLY A 788 12.113 -15.678 8.059 1.00 27.36 N ATOM 1612 CA GLY A 788 11.617 -16.977 7.632 1.00 30.00 C ATOM 1613 C GLY A 788 12.314 -17.556 6.407 1.00 28.45 C ATOM 1614 O GLY A 788 12.158 -18.744 6.096 1.00 26.76 O ATOM 1615 H GLY A 788 11.487 -14.850 7.998 1.00 0.00 H ATOM 1616 N ASP A 789 13.088 -16.729 5.706 1.00 21.72 N ATOM 1617 CA ASP A 789 13.760 -17.167 4.485 1.00 24.03 C ATOM 1618 C ASP A 789 15.123 -17.773 4.748 1.00 26.53 C ATOM 1619 O ASP A 789 15.800 -18.193 3.812 1.00 23.98 O ATOM 1620 CB ASP A 789 13.924 -16.006 3.507 1.00 29.56 C ATOM 1621 CG ASP A 789 12.616 -15.554 2.927 1.00 23.74 C ATOM 1622 OD1 ASP A 789 11.599 -16.251 3.153 1.00 22.94 O ATOM 1623 OD2 ASP A 789 12.610 -14.510 2.241 1.00 25.91 O ATOM 1624 H ASP A 789 13.217 -15.751 6.035 1.00 0.00 H ATOM 1625 N TYR A 790 15.528 -17.800 6.013 1.00 22.36 N ATOM 1626 CA TYR A 790 16.850 -18.292 6.380 1.00 22.12 C ATOM 1627 C TYR A 790 16.789 -19.371 7.456 1.00 23.54 C ATOM 1628 O TYR A 790 15.997 -19.295 8.403 1.00 27.14 O ATOM 1629 CB TYR A 790 17.735 -17.134 6.854 1.00 21.67 C ATOM 1630 CG TYR A 790 18.002 -16.097 5.769 1.00 21.67 C ATOM 1631 CD1 TYR A 790 19.020 -16.274 4.838 1.00 24.17 C ATOM 1632 CD2 TYR A 790 17.213 -14.949 5.672 1.00 20.72 C ATOM 1633 CE1 TYR A 790 19.253 -15.316 3.828 1.00 21.86 C ATOM 1634 CE2 TYR A 790 17.427 -14.004 4.678 1.00 18.82 C ATOM 1635 CZ TYR A 790 18.448 -14.189 3.769 1.00 20.50 C ATOM 1636 OH TYR A 790 18.637 -13.235 2.799 1.00 21.39 O ATOM 1637 HH TYR A 790 19.398 -13.498 2.223 1.00 0.00 H ATOM 1638 H TYR A 790 14.887 -17.462 6.759 1.00 0.00 H ATOM 1639 N TYR A 791 17.627 -20.388 7.279 1.00 22.02 N ATOM 1640 CA TYR A 791 17.754 -21.494 8.217 1.00 21.27 C ATOM 1641 C TYR A 791 18.961 -21.255 9.102 1.00 28.16 C ATOM 1642 O TYR A 791 20.094 -21.140 8.620 1.00 24.16 O ATOM 1643 CB TYR A 791 17.860 -22.819 7.459 1.00 26.56 C ATOM 1644 CG TYR A 791 18.068 -24.050 8.309 1.00 27.29 C ATOM 1645 CD1 TYR A 791 17.036 -24.585 9.061 1.00 26.15 C ATOM 1646 CD2 TYR A 791 19.298 -24.702 8.326 1.00 26.61 C ATOM 1647 CE1 TYR A 791 17.224 -25.723 9.831 1.00 30.38 C ATOM 1648 CE2 TYR A 791 19.492 -25.846 9.085 1.00 26.51 C ATOM 1649 CZ TYR A 791 18.454 -26.345 9.837 1.00 28.28 C ATOM 1650 OH TYR A 791 18.653 -27.471 10.600 1.00 30.08 O ATOM 1651 HH TYR A 791 18.914 -28.224 10.013 1.00 0.00 H ATOM 1652 H TYR A 791 18.223 -20.394 6.426 1.00 0.00 H ATOM 1653 N ARG A 792 18.697 -21.157 10.401 1.00 25.75 N ATOM 1654 CA ARG A 792 19.722 -20.801 11.375 1.00 27.83 C ATOM 1655 C ARG A 792 20.024 -21.936 12.337 1.00 28.60 C ATOM 1656 O ARG A 792 19.117 -22.533 12.918 1.00 27.17 O ATOM 1657 CB ARG A 792 19.292 -19.558 12.159 1.00 29.97 C ATOM 1658 CG ARG A 792 19.156 -18.326 11.278 1.00 31.74 C ATOM 1659 CD ARG A 792 18.726 -17.092 12.055 1.00 35.42 C ATOM 1660 NE ARG A 792 18.741 -15.912 11.194 1.00 31.42 N ATOM 1661 CZ ARG A 792 17.717 -15.506 10.451 1.00 39.27 C ATOM 1662 NH1 ARG A 792 17.838 -14.422 9.695 1.00 38.76 N ATOM 1663 NH2 ARG A 792 16.573 -16.177 10.465 1.00 37.62 N ATOM 1664 HE ARG A 792 19.615 -15.350 11.160 1.00 0.00 H ATOM 1665 HH12 ARG A 792 17.038 -14.102 9.113 1.00 0.00 H ATOM 1666 HH11 ARG A 792 18.733 -13.892 9.685 1.00 0.00 H ATOM 1667 HH22 ARG A 792 15.774 -15.855 9.882 1.00 0.00 H ATOM 1668 HH21 ARG A 792 16.475 -17.025 11.059 1.00 0.00 H ATOM 1669 H ARG A 792 17.729 -21.340 10.733 1.00 0.00 H ATOM 1670 N VAL A 793 21.310 -22.231 12.491 1.00 30.29 N ATOM 1671 CA VAL A 793 21.791 -23.173 13.487 1.00 29.25 C ATOM 1672 C VAL A 793 22.981 -22.508 14.173 1.00 25.63 C ATOM 1673 O VAL A 793 23.825 -21.906 13.505 1.00 28.11 O ATOM 1674 CB VAL A 793 22.195 -24.535 12.878 1.00 33.65 C ATOM 1675 CG1 VAL A 793 22.919 -25.399 13.907 1.00 36.63 C ATOM 1676 CG2 VAL A 793 20.960 -25.262 12.337 1.00 35.13 C ATOM 1677 H VAL A 793 22.004 -21.767 11.871 1.00 0.00 H ATOM 1678 N GLN A 794 23.007 -22.583 15.499 1.00 30.15 N ATOM 1679 CA GLN A 794 24.075 -22.001 16.297 1.00 38.61 C ATOM 1680 C GLN A 794 25.451 -22.405 15.771 1.00 33.06 C ATOM 1681 O GLN A 794 25.720 -23.592 15.571 1.00 31.58 O ATOM 1682 CB GLN A 794 23.926 -22.431 17.756 1.00 42.78 C ATOM 1683 CG GLN A 794 25.092 -22.059 18.645 1.00 58.14 C ATOM 1684 CD GLN A 794 24.902 -20.719 19.316 1.00 70.88 C ATOM 1685 OE1 GLN A 794 24.711 -19.700 18.651 1.00 74.59 O ATOM 1686 NE2 GLN A 794 24.940 -20.713 20.646 1.00 75.68 N ATOM 1687 HE22 GLN A 794 25.104 -21.599 21.166 1.00 0.00 H ATOM 1688 HE21 GLN A 794 24.805 -19.822 21.166 1.00 0.00 H ATOM 1689 H GLN A 794 22.233 -23.078 15.986 1.00 0.00 H ATOM 1690 N GLY A 795 26.295 -21.411 15.510 1.00 33.13 N ATOM 1691 CA GLY A 795 27.673 -21.648 15.110 1.00 24.48 C ATOM 1692 C GLY A 795 27.876 -21.886 13.622 1.00 28.00 C ATOM 1693 O GLY A 795 28.997 -22.127 13.186 1.00 29.31 O ATOM 1694 H GLY A 795 25.958 -20.431 15.595 1.00 0.00 H ATOM 1695 N ARG A 796 26.792 -21.846 12.844 1.00 26.08 N ATOM 1696 CA ARG A 796 26.858 -22.078 11.404 1.00 23.35 C ATOM 1697 C ARG A 796 26.501 -20.819 10.632 1.00 25.54 C ATOM 1698 O ARG A 796 25.831 -19.931 11.152 1.00 26.16 O ATOM 1699 CB ARG A 796 25.912 -23.214 10.976 1.00 25.26 C ATOM 1700 CG ARG A 796 26.235 -24.597 11.528 1.00 26.76 C ATOM 1701 CD ARG A 796 25.373 -25.661 10.850 1.00 27.93 C ATOM 1702 NE ARG A 796 25.340 -26.922 11.571 1.00 32.59 N ATOM 1703 CZ ARG A 796 24.479 -27.909 11.319 1.00 31.63 C ATOM 1704 NH1 ARG A 796 23.568 -27.779 10.359 1.00 33.21 N ATOM 1705 NH2 ARG A 796 24.525 -29.020 12.032 1.00 34.48 N ATOM 1706 HE ARG A 796 26.033 -27.064 12.333 1.00 0.00 H ATOM 1707 HH12 ARG A 796 22.900 -28.553 10.168 1.00 0.00 H ATOM 1708 HH11 ARG A 796 23.524 -26.904 9.799 1.00 0.00 H ATOM 1709 HH22 ARG A 796 23.855 -29.791 11.837 1.00 0.00 H ATOM 1710 HH21 ARG A 796 25.232 -29.124 12.788 1.00 0.00 H ATOM 1711 H ARG A 796 25.869 -21.643 13.278 1.00 0.00 H ATOM 1712 N ALA A 797 26.916 -20.777 9.370 1.00 23.38 N ATOM 1713 CA ALA A 797 26.489 -19.734 8.453 1.00 30.30 C ATOM 1714 C ALA A 797 24.977 -19.824 8.320 1.00 30.03 C ATOM 1715 O ALA A 797 24.413 -20.921 8.398 1.00 29.04 O ATOM 1716 CB ALA A 797 27.166 -19.889 7.104 1.00 28.95 C ATOM 1717 H ALA A 797 27.566 -21.513 9.028 1.00 0.00 H ATOM 1718 N VAL A 798 24.329 -18.674 8.175 1.00 26.92 N ATOM 1719 CA VAL A 798 22.880 -18.618 7.974 1.00 29.01 C ATOM 1720 C VAL A 798 22.552 -18.907 6.503 1.00 29.18 C ATOM 1721 O VAL A 798 23.160 -18.329 5.609 1.00 29.21 O ATOM 1722 CB VAL A 798 22.330 -17.247 8.396 1.00 30.80 C ATOM 1723 CG1 VAL A 798 20.835 -17.196 8.233 1.00 39.81 C ATOM 1724 CG2 VAL A 798 22.716 -16.941 9.842 1.00 26.83 C ATOM 1725 H VAL A 798 24.868 -17.785 8.205 1.00 0.00 H ATOM 1726 N LEU A 799 21.595 -19.797 6.242 1.00 23.96 N ATOM 1727 CA LEU A 799 21.416 -20.332 4.886 1.00 19.18 C ATOM 1728 C LEU A 799 20.017 -20.116 4.321 1.00 20.67 C ATOM 1729 O LEU A 799 19.048 -20.546 4.950 1.00 19.92 O ATOM 1730 CB LEU A 799 21.713 -21.837 4.876 1.00 23.93 C ATOM 1731 CG LEU A 799 23.113 -22.362 5.232 1.00 22.08 C ATOM 1732 CD1 LEU A 799 23.105 -23.909 5.188 1.00 22.62 C ATOM 1733 CD2 LEU A 799 24.145 -21.805 4.286 1.00 31.01 C ATOM 1734 H LEU A 799 20.968 -20.116 7.007 1.00 0.00 H ATOM 1735 N PRO A 800 19.911 -19.491 3.130 1.00 21.13 N ATOM 1736 CA PRO A 800 18.611 -19.334 2.454 1.00 21.73 C ATOM 1737 C PRO A 800 18.204 -20.611 1.728 1.00 16.62 C ATOM 1738 O PRO A 800 18.165 -20.631 0.496 1.00 22.18 O ATOM 1739 CB PRO A 800 18.861 -18.199 1.464 1.00 17.79 C ATOM 1740 CG PRO A 800 20.322 -18.352 1.101 1.00 21.25 C ATOM 1741 CD PRO A 800 21.016 -18.859 2.368 1.00 22.13 C ATOM 1742 N ILE A 801 17.901 -21.658 2.498 1.00 19.96 N ATOM 1743 CA ILE A 801 17.796 -23.003 1.941 1.00 22.98 C ATOM 1744 C ILE A 801 16.757 -23.149 0.812 1.00 23.19 C ATOM 1745 O ILE A 801 16.948 -23.961 -0.102 1.00 22.19 O ATOM 1746 CB ILE A 801 17.496 -24.037 3.061 1.00 21.53 C ATOM 1747 CG1 ILE A 801 16.297 -23.606 3.913 1.00 24.54 C ATOM 1748 CG2 ILE A 801 18.720 -24.161 3.972 1.00 21.96 C ATOM 1749 CD1 ILE A 801 15.775 -24.718 4.817 1.00 20.73 C ATOM 1750 H ILE A 801 17.737 -21.513 3.515 1.00 0.00 H ATOM 1751 N ARG A 802 15.674 -22.373 0.859 1.00 23.27 N ATOM 1752 CA ARG A 802 14.623 -22.505 -0.151 1.00 21.83 C ATOM 1753 C ARG A 802 15.048 -21.967 -1.511 1.00 19.09 C ATOM 1754 O ARG A 802 14.403 -22.247 -2.525 1.00 22.60 O ATOM 1755 CB ARG A 802 13.337 -21.811 0.323 1.00 19.39 C ATOM 1756 CG ARG A 802 12.685 -22.551 1.463 1.00 21.34 C ATOM 1757 CD ARG A 802 11.759 -21.679 2.284 1.00 28.87 C ATOM 1758 NE ARG A 802 11.481 -22.358 3.537 1.00 25.85 N ATOM 1759 CZ ARG A 802 10.488 -23.224 3.703 1.00 25.55 C ATOM 1760 NH1 ARG A 802 9.655 -23.488 2.695 1.00 27.17 N ATOM 1761 NH2 ARG A 802 10.325 -23.819 4.875 1.00 23.08 N ATOM 1762 HE ARG A 802 12.095 -22.154 4.351 1.00 0.00 H ATOM 1763 HH12 ARG A 802 8.878 -24.166 2.827 1.00 0.00 H ATOM 1764 HH11 ARG A 802 9.783 -23.015 1.777 1.00 0.00 H ATOM 1765 HH22 ARG A 802 9.549 -24.498 5.010 1.00 0.00 H ATOM 1766 HH21 ARG A 802 10.973 -23.607 5.660 1.00 0.00 H ATOM 1767 H ARG A 802 15.575 -21.669 1.618 1.00 0.00 H ATOM 1768 N TRP A 803 16.135 -21.198 -1.541 1.00 18.09 N ATOM 1769 CA TRP A 803 16.699 -20.731 -2.794 1.00 17.87 C ATOM 1770 C TRP A 803 17.954 -21.508 -3.198 1.00 19.39 C ATOM 1771 O TRP A 803 18.532 -21.233 -4.248 1.00 20.20 O ATOM 1772 CB TRP A 803 17.041 -19.229 -2.705 1.00 22.68 C ATOM 1773 CG TRP A 803 15.846 -18.334 -2.794 1.00 22.18 C ATOM 1774 CD1 TRP A 803 15.447 -17.601 -3.877 1.00 18.49 C ATOM 1775 CD2 TRP A 803 14.876 -18.093 -1.761 1.00 17.43 C ATOM 1776 NE1 TRP A 803 14.301 -16.901 -3.571 1.00 18.14 N ATOM 1777 CE2 TRP A 803 13.922 -17.201 -2.283 1.00 20.92 C ATOM 1778 CE3 TRP A 803 14.721 -18.558 -0.443 1.00 16.78 C ATOM 1779 CZ2 TRP A 803 12.832 -16.755 -1.537 1.00 19.46 C ATOM 1780 CZ3 TRP A 803 13.646 -18.110 0.300 1.00 18.51 C ATOM 1781 CH2 TRP A 803 12.715 -17.213 -0.243 1.00 17.92 C ATOM 1782 HE1 TRP A 803 13.802 -16.250 -4.211 1.00 0.00 H ATOM 1783 H TRP A 803 16.590 -20.926 -0.646 1.00 0.00 H ATOM 1784 N MET A 804 18.371 -22.485 -2.394 1.00 22.48 N ATOM 1785 CA MET A 804 19.672 -23.127 -2.622 1.00 21.02 C ATOM 1786 C MET A 804 19.654 -24.441 -3.407 1.00 22.67 C ATOM 1787 O MET A 804 18.840 -25.337 -3.163 1.00 24.63 O ATOM 1788 CB MET A 804 20.368 -23.373 -1.281 1.00 17.65 C ATOM 1789 CG MET A 804 20.945 -22.088 -0.673 1.00 19.17 C ATOM 1790 SD MET A 804 21.326 -22.353 1.050 1.00 25.46 S ATOM 1791 CE MET A 804 22.658 -23.562 0.914 1.00 27.87 C ATOM 1792 H MET A 804 17.773 -22.794 -1.602 1.00 0.00 H ATOM 1793 N ALA A 805 20.574 -24.536 -4.358 1.00 17.78 N ATOM 1794 CA ALA A 805 20.785 -25.776 -5.109 1.00 17.93 C ATOM 1795 C ALA A 805 21.112 -26.933 -4.170 1.00 21.47 C ATOM 1796 O ALA A 805 21.699 -26.725 -3.096 1.00 23.89 O ATOM 1797 CB ALA A 805 21.897 -25.594 -6.126 1.00 19.93 C ATOM 1798 H ALA A 805 21.162 -23.707 -4.577 1.00 0.00 H ATOM 1799 N TRP A 806 20.759 -28.152 -4.574 1.00 26.07 N ATOM 1800 CA TRP A 806 20.960 -29.314 -3.708 1.00 22.82 C ATOM 1801 C TRP A 806 22.413 -29.478 -3.278 1.00 22.46 C ATOM 1802 O TRP A 806 22.681 -29.792 -2.124 1.00 25.99 O ATOM 1803 CB TRP A 806 20.476 -30.594 -4.386 1.00 24.38 C ATOM 1804 CG TRP A 806 21.328 -31.069 -5.527 1.00 25.11 C ATOM 1805 CD1 TRP A 806 21.196 -30.731 -6.838 1.00 24.26 C ATOM 1806 CD2 TRP A 806 22.436 -31.980 -5.459 1.00 29.75 C ATOM 1807 NE1 TRP A 806 22.143 -31.374 -7.593 1.00 25.41 N ATOM 1808 CE2 TRP A 806 22.922 -32.143 -6.769 1.00 27.61 C ATOM 1809 CE3 TRP A 806 23.060 -32.672 -4.417 1.00 38.52 C ATOM 1810 CZ2 TRP A 806 24.009 -32.964 -7.067 1.00 29.24 C ATOM 1811 CZ3 TRP A 806 24.139 -33.485 -4.714 1.00 39.96 C ATOM 1812 CH2 TRP A 806 24.600 -33.624 -6.027 1.00 36.14 C ATOM 1813 HE1 TRP A 806 22.252 -31.291 -8.624 1.00 0.00 H ATOM 1814 H TRP A 806 20.336 -28.279 -5.515 1.00 0.00 H ATOM 1815 N GLU A 807 23.352 -29.231 -4.185 1.00 28.03 N ATOM 1816 CA GLU A 807 24.757 -29.410 -3.851 1.00 27.79 C ATOM 1817 C GLU A 807 25.234 -28.364 -2.825 1.00 34.27 C ATOM 1818 O GLU A 807 26.197 -28.609 -2.088 1.00 38.65 O ATOM 1819 CB GLU A 807 25.622 -29.366 -5.119 1.00 33.08 C ATOM 1820 CG GLU A 807 25.812 -27.991 -5.716 1.00 26.00 C ATOM 1821 CD GLU A 807 24.783 -27.615 -6.782 1.00 28.12 C ATOM 1822 OE1 GLU A 807 23.757 -28.318 -6.963 1.00 25.59 O ATOM 1823 OE2 GLU A 807 25.008 -26.589 -7.453 1.00 24.39 O ATOM 1824 H GLU A 807 23.082 -28.909 -5.136 1.00 0.00 H ATOM 1825 N CYS A 808 24.562 -27.214 -2.774 1.00 28.47 N ATOM 1826 CA CYS A 808 24.851 -26.181 -1.766 1.00 27.40 C ATOM 1827 C CYS A 808 24.420 -26.607 -0.377 1.00 31.75 C ATOM 1828 O CYS A 808 25.132 -26.408 0.602 1.00 35.89 O ATOM 1829 CB CYS A 808 24.135 -24.881 -2.084 1.00 36.88 C ATOM 1830 SG CYS A 808 24.582 -24.181 -3.613 1.00 35.79 S ATOM 1831 H CYS A 808 23.808 -27.041 -3.470 1.00 0.00 H ATOM 1832 N ILE A 809 23.209 -27.140 -0.298 1.00 29.52 N ATOM 1833 CA ILE A 809 22.672 -27.606 0.971 1.00 27.70 C ATOM 1834 C ILE A 809 23.522 -28.743 1.505 1.00 30.88 C ATOM 1835 O ILE A 809 23.878 -28.764 2.680 1.00 37.01 O ATOM 1836 CB ILE A 809 21.198 -28.044 0.813 1.00 30.60 C ATOM 1837 CG1 ILE A 809 20.337 -26.816 0.493 1.00 30.73 C ATOM 1838 CG2 ILE A 809 20.700 -28.778 2.067 1.00 31.56 C ATOM 1839 CD1 ILE A 809 18.859 -27.111 0.325 1.00 33.99 C ATOM 1840 H ILE A 809 22.632 -27.227 -1.159 1.00 0.00 H ATOM 1841 N LEU A 810 23.882 -29.677 0.634 1.00 30.46 N ATOM 1842 CA LEU A 810 24.596 -30.869 1.086 1.00 29.07 C ATOM 1843 C LEU A 810 26.080 -30.632 1.327 1.00 36.27 C ATOM 1844 O LEU A 810 26.672 -31.236 2.227 1.00 47.21 O ATOM 1845 CB LEU A 810 24.432 -32.002 0.077 1.00 28.73 C ATOM 1846 CG LEU A 810 22.999 -32.517 -0.090 1.00 35.54 C ATOM 1847 CD1 LEU A 810 23.003 -33.768 -0.923 1.00 38.00 C ATOM 1848 CD2 LEU A 810 22.366 -32.772 1.268 1.00 40.58 C ATOM 1849 H LEU A 810 23.655 -29.560 -0.374 1.00 0.00 H ATOM 1850 N MET A 811 26.689 -29.764 0.529 1.00 35.46 N ATOM 1851 CA MET A 811 28.149 -29.748 0.458 1.00 45.90 C ATOM 1852 C MET A 811 28.730 -28.363 0.643 1.00 48.76 C ATOM 1853 O MET A 811 29.942 -28.189 0.560 1.00 43.24 O ATOM 1854 CB MET A 811 28.629 -30.329 -0.877 1.00 50.63 C ATOM 1855 CG MET A 811 28.151 -31.746 -1.148 1.00 59.23 C ATOM 1856 SD MET A 811 29.015 -32.514 -2.528 1.00 95.24 S ATOM 1857 CE MET A 811 28.546 -31.434 -3.880 1.00 55.70 C ATOM 1858 H MET A 811 26.131 -29.099 -0.043 1.00 0.00 H ATOM 1859 N GLY A 812 27.852 -27.392 0.880 1.00 58.58 N ATOM 1860 CA GLY A 812 28.240 -26.037 1.227 1.00 63.87 C ATOM 1861 C GLY A 812 28.922 -25.209 0.152 1.00 61.43 C ATOM 1862 O GLY A 812 29.399 -24.109 0.436 1.00 69.68 O ATOM 1863 H GLY A 812 26.838 -27.615 0.813 1.00 0.00 H ATOM 1864 N LYS A 813 28.968 -25.704 -1.080 1.00 49.96 N ATOM 1865 CA LYS A 813 29.758 -25.009 -2.092 1.00 50.86 C ATOM 1866 C LYS A 813 28.913 -24.231 -3.104 1.00 41.04 C ATOM 1867 O LYS A 813 27.983 -24.767 -3.721 1.00 40.91 O ATOM 1868 CB LYS A 813 30.687 -26.000 -2.789 1.00 58.18 C ATOM 1869 CG LYS A 813 31.997 -26.167 -2.003 1.00 67.31 C ATOM 1870 CD LYS A 813 32.792 -27.401 -2.379 1.00 72.23 C ATOM 1871 CE LYS A 813 33.990 -27.552 -1.445 1.00 77.32 C ATOM 1872 NZ LYS A 813 34.753 -28.813 -1.675 1.00 79.26 N ATOM 1873 HZ1 LYS A 813 34.127 -29.629 -1.521 1.00 0.00 H ATOM 1874 HZ2 LYS A 813 35.109 -28.828 -2.652 1.00 0.00 H ATOM 1875 HZ3 LYS A 813 35.553 -28.858 -1.012 1.00 0.00 H ATOM 1876 H LYS A 813 28.449 -26.573 -1.320 1.00 0.00 H ATOM 1877 N PHE A 814 29.250 -22.948 -3.241 1.00 30.02 N ATOM 1878 CA PHE A 814 28.445 -21.990 -4.005 1.00 23.99 C ATOM 1879 C PHE A 814 29.176 -21.599 -5.281 1.00 29.41 C ATOM 1880 O PHE A 814 30.367 -21.264 -5.246 1.00 22.81 O ATOM 1881 CB PHE A 814 28.153 -20.744 -3.168 1.00 31.42 C ATOM 1882 CG PHE A 814 27.236 -20.989 -1.994 1.00 38.08 C ATOM 1883 CD1 PHE A 814 27.723 -21.535 -0.813 1.00 50.85 C ATOM 1884 CD2 PHE A 814 25.889 -20.670 -2.075 1.00 32.94 C ATOM 1885 CE1 PHE A 814 26.877 -21.758 0.260 1.00 48.26 C ATOM 1886 CE2 PHE A 814 25.040 -20.883 -1.009 1.00 35.59 C ATOM 1887 CZ PHE A 814 25.535 -21.426 0.160 1.00 46.85 C ATOM 1888 H PHE A 814 30.123 -22.612 -2.786 1.00 0.00 H ATOM 1889 N THR A 815 28.463 -21.644 -6.401 1.00 23.89 N ATOM 1890 CA THR A 815 29.042 -21.415 -7.732 1.00 20.11 C ATOM 1891 C THR A 815 28.102 -20.570 -8.567 1.00 21.20 C ATOM 1892 O THR A 815 26.955 -20.316 -8.160 1.00 22.67 O ATOM 1893 CB THR A 815 29.278 -22.734 -8.503 1.00 25.59 C ATOM 1894 OG1 THR A 815 28.012 -23.357 -8.784 1.00 25.11 O ATOM 1895 CG2 THR A 815 30.126 -23.698 -7.696 1.00 29.81 C ATOM 1896 HG1 THR A 815 27.544 -23.550 -7.933 1.00 0.00 H ATOM 1897 H THR A 815 27.446 -21.851 -6.332 1.00 0.00 H ATOM 1898 N THR A 816 28.565 -20.166 -9.751 1.00 23.69 N ATOM 1899 CA THR A 816 27.681 -19.501 -10.707 1.00 20.65 C ATOM 1900 C THR A 816 26.477 -20.406 -11.018 1.00 25.13 C ATOM 1901 O THR A 816 25.356 -19.921 -11.141 1.00 22.73 O ATOM 1902 CB THR A 816 28.431 -19.141 -11.998 1.00 29.99 C ATOM 1903 OG1 THR A 816 29.519 -18.262 -11.676 1.00 25.83 O ATOM 1904 CG2 THR A 816 27.511 -18.454 -12.985 1.00 31.21 C ATOM 1905 HG1 THR A 816 30.007 -18.026 -12.504 1.00 0.00 H ATOM 1906 H THR A 816 29.563 -20.325 -9.996 1.00 0.00 H ATOM 1907 N ALA A 817 26.708 -21.715 -11.084 1.00 26.36 N ATOM 1908 CA ALA A 817 25.635 -22.667 -11.371 1.00 25.72 C ATOM 1909 C ALA A 817 24.594 -22.734 -10.254 1.00 25.16 C ATOM 1910 O ALA A 817 23.404 -22.967 -10.516 1.00 24.72 O ATOM 1911 CB ALA A 817 26.208 -24.051 -11.636 1.00 24.19 C ATOM 1912 H ALA A 817 27.673 -22.069 -10.928 1.00 0.00 H ATOM 1913 N SER A 818 25.013 -22.514 -9.014 1.00 18.49 N ATOM 1914 CA SER A 818 24.044 -22.483 -7.916 1.00 23.94 C ATOM 1915 C SER A 818 23.345 -21.123 -7.878 1.00 25.64 C ATOM 1916 O SER A 818 22.198 -20.987 -7.420 1.00 20.90 O ATOM 1917 CB SER A 818 24.717 -22.819 -6.572 1.00 22.17 C ATOM 1918 OG SER A 818 25.748 -21.915 -6.189 1.00 23.24 O ATOM 1919 HG SER A 818 25.371 -21.003 -6.104 1.00 0.00 H ATOM 1920 H SER A 818 26.024 -22.364 -8.823 1.00 0.00 H ATOM 1921 N ASP A 819 24.012 -20.103 -8.393 1.00 20.73 N ATOM 1922 CA ASP A 819 23.331 -18.819 -8.592 1.00 15.42 C ATOM 1923 C ASP A 819 22.224 -18.979 -9.653 1.00 19.73 C ATOM 1924 O ASP A 819 21.171 -18.345 -9.568 1.00 20.80 O ATOM 1925 CB ASP A 819 24.321 -17.729 -9.038 1.00 23.74 C ATOM 1926 CG ASP A 819 25.018 -17.003 -7.860 1.00 23.20 C ATOM 1927 OD1 ASP A 819 24.668 -17.203 -6.675 1.00 22.62 O ATOM 1928 OD2 ASP A 819 25.925 -16.189 -8.148 1.00 26.10 O ATOM 1929 H ASP A 819 25.013 -20.211 -8.655 1.00 0.00 H ATOM 1930 N VAL A 820 22.466 -19.800 -10.674 1.00 21.49 N ATOM 1931 CA VAL A 820 21.429 -20.042 -11.692 1.00 20.33 C ATOM 1932 C VAL A 820 20.209 -20.707 -11.071 1.00 20.75 C ATOM 1933 O VAL A 820 19.074 -20.313 -11.329 1.00 21.38 O ATOM 1934 CB VAL A 820 21.940 -20.915 -12.862 1.00 24.94 C ATOM 1935 CG1 VAL A 820 20.760 -21.320 -13.767 1.00 21.42 C ATOM 1936 CG2 VAL A 820 23.030 -20.180 -13.651 1.00 22.90 C ATOM 1937 H VAL A 820 23.390 -20.271 -10.753 1.00 0.00 H ATOM 1938 N TRP A 821 20.446 -21.700 -10.231 1.00 18.97 N ATOM 1939 CA TRP A 821 19.380 -22.321 -9.467 1.00 20.27 C ATOM 1940 C TRP A 821 18.578 -21.290 -8.672 1.00 20.28 C ATOM 1941 O TRP A 821 17.336 -21.277 -8.718 1.00 18.99 O ATOM 1942 CB TRP A 821 19.970 -23.365 -8.520 1.00 17.91 C ATOM 1943 CG TRP A 821 18.978 -24.101 -7.703 1.00 19.50 C ATOM 1944 CD1 TRP A 821 18.111 -23.589 -6.763 1.00 17.84 C ATOM 1945 CD2 TRP A 821 18.760 -25.518 -7.721 1.00 22.69 C ATOM 1946 NE1 TRP A 821 17.359 -24.606 -6.224 1.00 20.12 N ATOM 1947 CE2 TRP A 821 17.742 -25.796 -6.792 1.00 21.14 C ATOM 1948 CE3 TRP A 821 19.329 -26.577 -8.440 1.00 18.10 C ATOM 1949 CZ2 TRP A 821 17.282 -27.090 -6.556 1.00 27.12 C ATOM 1950 CZ3 TRP A 821 18.872 -27.865 -8.205 1.00 25.64 C ATOM 1951 CH2 TRP A 821 17.859 -28.110 -7.270 1.00 26.71 C ATOM 1952 HE1 TRP A 821 16.619 -24.492 -5.502 1.00 0.00 H ATOM 1953 H TRP A 821 21.420 -22.045 -10.115 1.00 0.00 H ATOM 1954 N ALA A 822 19.285 -20.448 -7.919 1.00 17.81 N ATOM 1955 CA ALA A 822 18.624 -19.384 -7.158 1.00 19.79 C ATOM 1956 C ALA A 822 17.859 -18.414 -8.060 1.00 18.45 C ATOM 1957 O ALA A 822 16.811 -17.887 -7.671 1.00 21.54 O ATOM 1958 CB ALA A 822 19.648 -18.618 -6.324 1.00 18.31 C ATOM 1959 H ALA A 822 20.319 -20.547 -7.871 1.00 0.00 H ATOM 1960 N PHE A 823 18.411 -18.135 -9.238 1.00 19.02 N ATOM 1961 CA PHE A 823 17.686 -17.340 -10.219 1.00 20.39 C ATOM 1962 C PHE A 823 16.364 -17.989 -10.628 1.00 19.56 C ATOM 1963 O PHE A 823 15.364 -17.300 -10.827 1.00 19.20 O ATOM 1964 CB PHE A 823 18.499 -17.111 -11.484 1.00 18.95 C ATOM 1965 CG PHE A 823 17.737 -16.338 -12.511 1.00 20.93 C ATOM 1966 CD1 PHE A 823 17.628 -14.959 -12.411 1.00 24.26 C ATOM 1967 CD2 PHE A 823 17.061 -16.986 -13.526 1.00 21.64 C ATOM 1968 CE1 PHE A 823 16.875 -14.240 -13.325 1.00 20.60 C ATOM 1969 CE2 PHE A 823 16.318 -16.266 -14.448 1.00 20.66 C ATOM 1970 CZ PHE A 823 16.241 -14.895 -14.360 1.00 20.23 C ATOM 1971 H PHE A 823 19.365 -18.486 -9.459 1.00 0.00 H ATOM 1972 N GLY A 824 16.396 -19.306 -10.818 1.00 22.19 N ATOM 1973 CA GLY A 824 15.197 -20.081 -11.096 1.00 21.72 C ATOM 1974 C GLY A 824 14.143 -19.864 -10.029 1.00 21.51 C ATOM 1975 O GLY A 824 12.970 -19.635 -10.349 1.00 20.95 O ATOM 1976 H GLY A 824 17.311 -19.798 -10.766 1.00 0.00 H ATOM 1977 N VAL A 825 14.546 -19.928 -8.763 1.00 17.63 N ATOM 1978 CA VAL A 825 13.593 -19.687 -7.666 1.00 17.04 C ATOM 1979 C VAL A 825 13.134 -18.216 -7.647 1.00 17.73 C ATOM 1980 O VAL A 825 11.953 -17.928 -7.413 1.00 18.62 O ATOM 1981 CB VAL A 825 14.192 -20.041 -6.300 1.00 22.42 C ATOM 1982 CG1 VAL A 825 13.193 -19.764 -5.205 1.00 16.54 C ATOM 1983 CG2 VAL A 825 14.571 -21.507 -6.261 1.00 19.16 C ATOM 1984 H VAL A 825 15.539 -20.149 -8.547 1.00 0.00 H ATOM 1985 N THR A 826 14.070 -17.286 -7.864 1.00 19.53 N ATOM 1986 CA THR A 826 13.738 -15.859 -7.969 1.00 21.57 C ATOM 1987 C THR A 826 12.739 -15.590 -9.109 1.00 19.44 C ATOM 1988 O THR A 826 11.812 -14.774 -8.963 1.00 19.00 O ATOM 1989 CB THR A 826 15.025 -15.011 -8.176 1.00 20.27 C ATOM 1990 OG1 THR A 826 15.934 -15.245 -7.082 1.00 17.71 O ATOM 1991 CG2 THR A 826 14.690 -13.511 -8.267 1.00 19.87 C ATOM 1992 HG1 THR A 826 16.172 -16.206 -7.052 1.00 0.00 H ATOM 1993 H THR A 826 15.062 -17.582 -7.961 1.00 0.00 H ATOM 1994 N LEU A 827 12.906 -16.289 -10.239 1.00 17.65 N ATOM 1995 CA LEU A 827 12.010 -16.133 -11.382 1.00 20.51 C ATOM 1996 C LEU A 827 10.645 -16.670 -11.016 1.00 20.04 C ATOM 1997 O LEU A 827 9.625 -16.097 -11.364 1.00 19.24 O ATOM 1998 CB LEU A 827 12.545 -16.866 -12.618 1.00 23.66 C ATOM 1999 CG LEU A 827 11.715 -16.901 -13.914 1.00 23.45 C ATOM 2000 CD1 LEU A 827 11.328 -15.506 -14.416 1.00 20.63 C ATOM 2001 CD2 LEU A 827 12.477 -17.653 -15.003 1.00 22.61 C ATOM 2002 H LEU A 827 13.696 -16.962 -10.305 1.00 0.00 H ATOM 2003 N TRP A 828 10.633 -17.790 -10.304 1.00 20.20 N ATOM 2004 CA TRP A 828 9.386 -18.322 -9.770 1.00 17.73 C ATOM 2005 C TRP A 828 8.693 -17.270 -8.900 1.00 21.37 C ATOM 2006 O TRP A 828 7.498 -17.034 -9.043 1.00 20.46 O ATOM 2007 CB TRP A 828 9.653 -19.607 -8.967 1.00 16.81 C ATOM 2008 CG TRP A 828 8.433 -20.267 -8.391 1.00 18.25 C ATOM 2009 CD1 TRP A 828 7.626 -21.186 -9.009 1.00 19.00 C ATOM 2010 CD2 TRP A 828 7.895 -20.076 -7.079 1.00 19.41 C ATOM 2011 NE1 TRP A 828 6.604 -21.566 -8.160 1.00 20.29 N ATOM 2012 CE2 TRP A 828 6.760 -20.906 -6.964 1.00 22.08 C ATOM 2013 CE3 TRP A 828 8.270 -19.281 -5.980 1.00 18.08 C ATOM 2014 CZ2 TRP A 828 5.992 -20.970 -5.802 1.00 19.78 C ATOM 2015 CZ3 TRP A 828 7.502 -19.339 -4.831 1.00 19.61 C ATOM 2016 CH2 TRP A 828 6.379 -20.183 -4.746 1.00 22.26 C ATOM 2017 HE1 TRP A 828 5.844 -22.239 -8.388 1.00 0.00 H ATOM 2018 H TRP A 828 11.525 -18.294 -10.125 1.00 0.00 H ATOM 2019 N GLU A 829 9.448 -16.650 -7.996 1.00 18.51 N ATOM 2020 CA GLU A 829 8.901 -15.595 -7.134 1.00 17.81 C ATOM 2021 C GLU A 829 8.251 -14.500 -7.947 1.00 20.57 C ATOM 2022 O GLU A 829 7.142 -14.079 -7.642 1.00 19.65 O ATOM 2023 CB GLU A 829 9.986 -14.943 -6.285 1.00 19.24 C ATOM 2024 CG GLU A 829 10.522 -15.688 -5.082 1.00 26.37 C ATOM 2025 CD GLU A 829 11.555 -14.820 -4.366 1.00 20.01 C ATOM 2026 OE1 GLU A 829 11.188 -14.124 -3.400 1.00 25.18 O ATOM 2027 OE2 GLU A 829 12.709 -14.784 -4.824 1.00 21.12 O ATOM 2028 H GLU A 829 10.448 -16.919 -7.898 1.00 0.00 H ATOM 2029 N VAL A 830 8.977 -13.997 -8.947 1.00 19.11 N ATOM 2030 CA VAL A 830 8.453 -12.920 -9.796 1.00 18.66 C ATOM 2031 C VAL A 830 7.137 -13.304 -10.484 1.00 24.46 C ATOM 2032 O VAL A 830 6.169 -12.529 -10.499 1.00 25.54 O ATOM 2033 CB VAL A 830 9.463 -12.524 -10.870 1.00 23.57 C ATOM 2034 CG1 VAL A 830 8.785 -11.601 -11.909 1.00 20.17 C ATOM 2035 CG2 VAL A 830 10.699 -11.869 -10.232 1.00 19.70 C ATOM 2036 H VAL A 830 9.929 -14.374 -9.128 1.00 0.00 H ATOM 2037 N LEU A 831 7.088 -14.515 -11.035 1.00 20.26 N ATOM 2038 CA LEU A 831 5.871 -14.970 -11.703 1.00 25.28 C ATOM 2039 C LEU A 831 4.724 -15.275 -10.730 1.00 20.45 C ATOM 2040 O LEU A 831 3.551 -15.314 -11.143 1.00 22.39 O ATOM 2041 CB LEU A 831 6.190 -16.182 -12.560 1.00 24.91 C ATOM 2042 CG LEU A 831 7.076 -15.779 -13.736 1.00 29.22 C ATOM 2043 CD1 LEU A 831 7.664 -16.983 -14.421 1.00 38.28 C ATOM 2044 CD2 LEU A 831 6.283 -14.951 -14.716 1.00 30.93 C ATOM 2045 H LEU A 831 7.919 -15.139 -10.990 1.00 0.00 H ATOM 2046 N MET A 832 5.066 -15.510 -9.461 1.00 24.99 N ATOM 2047 CA MET A 832 4.080 -15.667 -8.394 1.00 21.62 C ATOM 2048 C MET A 832 3.655 -14.314 -7.839 1.00 25.48 C ATOM 2049 O MET A 832 2.778 -14.247 -6.982 1.00 22.65 O ATOM 2050 CB MET A 832 4.617 -16.521 -7.230 1.00 21.38 C ATOM 2051 CG MET A 832 4.856 -17.984 -7.561 1.00 19.37 C ATOM 2052 SD MET A 832 3.285 -18.852 -7.739 1.00 25.14 S ATOM 2053 CE MET A 832 2.667 -18.808 -6.050 1.00 27.67 C ATOM 2054 H MET A 832 6.075 -15.584 -9.222 1.00 0.00 H ATOM 2055 N LEU A 833 4.284 -13.245 -8.324 1.00 25.05 N ATOM 2056 CA LEU A 833 4.065 -11.902 -7.786 1.00 21.72 C ATOM 2057 C LEU A 833 4.283 -11.926 -6.284 1.00 30.52 C ATOM 2058 O LEU A 833 3.594 -11.240 -5.520 1.00 27.21 O ATOM 2059 CB LEU A 833 2.669 -11.369 -8.140 1.00 28.64 C ATOM 2060 CG LEU A 833 2.602 -10.827 -9.571 1.00 31.94 C ATOM 2061 CD1 LEU A 833 2.312 -11.944 -10.558 1.00 35.57 C ATOM 2062 CD2 LEU A 833 1.571 -9.707 -9.702 1.00 36.67 C ATOM 2063 H LEU A 833 4.953 -13.369 -9.111 1.00 0.00 H ATOM 2064 N CYS A 834 5.255 -12.749 -5.885 1.00 25.92 N ATOM 2065 CA CYS A 834 5.669 -12.911 -4.494 1.00 32.26 C ATOM 2066 C CYS A 834 4.488 -13.211 -3.557 1.00 26.25 C ATOM 2067 O CYS A 834 4.436 -12.713 -2.445 1.00 30.74 O ATOM 2068 CB CYS A 834 6.435 -11.659 -4.036 1.00 35.07 C ATOM 2069 SG CYS A 834 7.933 -11.283 -5.040 1.00 29.93 S ATOM 2070 H CYS A 834 5.748 -13.309 -6.609 1.00 0.00 H ATOM 2071 N ARG A 835 3.564 -14.059 -4.003 1.00 30.57 N ATOM 2072 CA ARG A 835 2.355 -14.329 -3.225 1.00 35.03 C ATOM 2073 C ARG A 835 2.545 -15.476 -2.243 1.00 30.47 C ATOM 2074 O ARG A 835 1.707 -15.684 -1.366 1.00 31.30 O ATOM 2075 CB ARG A 835 1.166 -14.650 -4.139 1.00 42.96 C ATOM 2076 CG ARG A 835 0.526 -13.445 -4.823 1.00 38.63 C ATOM 2077 CD ARG A 835 0.235 -12.311 -3.847 1.00 44.14 C ATOM 2078 NE ARG A 835 -0.725 -11.357 -4.402 1.00 45.41 N ATOM 2079 CZ ARG A 835 -0.390 -10.271 -5.092 1.00 46.66 C ATOM 2080 NH1 ARG A 835 0.891 -9.990 -5.320 1.00 34.07 N ATOM 2081 NH2 ARG A 835 -1.338 -9.465 -5.557 1.00 54.08 N ATOM 2082 HE ARG A 835 -1.737 -11.540 -4.247 1.00 0.00 H ATOM 2083 HH12 ARG A 835 1.149 -9.139 -5.860 1.00 0.00 H ATOM 2084 HH11 ARG A 835 1.634 -10.621 -4.958 1.00 0.00 H ATOM 2085 HH22 ARG A 835 -1.079 -8.615 -6.097 1.00 0.00 H ATOM 2086 HH21 ARG A 835 -2.339 -9.684 -5.381 1.00 0.00 H ATOM 2087 H ARG A 835 3.703 -14.536 -4.917 1.00 0.00 H ATOM 2088 N ALA A 836 3.633 -16.227 -2.400 1.00 29.82 N ATOM 2089 CA ALA A 836 3.886 -17.363 -1.523 1.00 32.41 C ATOM 2090 C ALA A 836 5.371 -17.654 -1.445 1.00 27.07 C ATOM 2091 O ALA A 836 6.136 -17.363 -2.373 1.00 25.45 O ATOM 2092 CB ALA A 836 3.128 -18.599 -1.994 1.00 37.02 C ATOM 2093 H ALA A 836 4.310 -16.001 -3.157 1.00 0.00 H ATOM 2094 N GLN A 837 5.782 -18.240 -0.328 1.00 26.62 N ATOM 2095 CA GLN A 837 7.189 -18.588 -0.133 1.00 25.93 C ATOM 2096 C GLN A 837 7.482 -19.880 -0.902 1.00 22.46 C ATOM 2097 O GLN A 837 6.619 -20.746 -0.998 1.00 23.50 O ATOM 2098 CB GLN A 837 7.493 -18.752 1.363 1.00 28.99 C ATOM 2099 CG GLN A 837 8.984 -18.837 1.684 1.00 30.22 C ATOM 2100 CD GLN A 837 9.280 -19.376 3.063 1.00 33.84 C ATOM 2101 OE1 GLN A 837 8.639 -20.320 3.534 1.00 33.14 O ATOM 2102 NE2 GLN A 837 10.278 -18.788 3.719 1.00 27.72 N ATOM 2103 HE22 GLN A 837 10.791 -17.995 3.283 1.00 0.00 H ATOM 2104 HE21 GLN A 837 10.545 -19.121 4.667 1.00 0.00 H ATOM 2105 H GLN A 837 5.093 -18.455 0.421 1.00 0.00 H ATOM 2106 N PRO A 838 8.694 -19.998 -1.485 1.00 21.41 N ATOM 2107 CA PRO A 838 9.073 -21.257 -2.134 1.00 18.62 C ATOM 2108 C PRO A 838 8.939 -22.409 -1.167 1.00 18.51 C ATOM 2109 O PRO A 838 9.414 -22.296 -0.026 1.00 20.26 O ATOM 2110 CB PRO A 838 10.548 -21.045 -2.513 1.00 23.42 C ATOM 2111 CG PRO A 838 10.730 -19.596 -2.551 1.00 22.68 C ATOM 2112 CD PRO A 838 9.757 -18.984 -1.586 1.00 24.67 C ATOM 2113 N PHE A 839 8.263 -23.478 -1.601 1.00 20.73 N ATOM 2114 CA PHE A 839 8.061 -24.665 -0.783 1.00 25.74 C ATOM 2115 C PHE A 839 7.338 -24.311 0.508 1.00 23.98 C ATOM 2116 O PHE A 839 7.517 -24.958 1.536 1.00 23.77 O ATOM 2117 CB PHE A 839 9.399 -25.362 -0.490 1.00 22.27 C ATOM 2118 CG PHE A 839 10.076 -25.906 -1.723 1.00 22.92 C ATOM 2119 CD1 PHE A 839 9.440 -26.876 -2.497 1.00 25.76 C ATOM 2120 CD2 PHE A 839 11.316 -25.441 -2.116 1.00 28.48 C ATOM 2121 CE1 PHE A 839 10.041 -27.372 -3.632 1.00 27.28 C ATOM 2122 CE2 PHE A 839 11.922 -25.936 -3.243 1.00 28.23 C ATOM 2123 CZ PHE A 839 11.286 -26.901 -4.001 1.00 25.61 C ATOM 2124 H PHE A 839 7.865 -23.461 -2.562 1.00 0.00 H ATOM 2125 N GLY A 840 6.473 -23.305 0.423 1.00 28.46 N ATOM 2126 CA GLY A 840 5.860 -22.709 1.594 1.00 27.91 C ATOM 2127 C GLY A 840 5.087 -23.631 2.510 1.00 29.16 C ATOM 2128 O GLY A 840 4.961 -23.347 3.693 1.00 28.44 O ATOM 2129 H GLY A 840 6.227 -22.932 -0.516 1.00 0.00 H ATOM 2130 N GLN A 841 4.551 -24.724 1.968 1.00 22.51 N ATOM 2131 CA GLN A 841 3.803 -25.670 2.782 1.00 24.49 C ATOM 2132 C GLN A 841 4.698 -26.767 3.376 1.00 27.71 C ATOM 2133 O GLN A 841 4.221 -27.647 4.096 1.00 30.66 O ATOM 2134 CB GLN A 841 2.683 -26.294 1.955 1.00 24.32 C ATOM 2135 CG GLN A 841 1.647 -25.289 1.445 1.00 40.70 C ATOM 2136 CD GLN A 841 1.004 -24.485 2.567 1.00 34.99 C ATOM 2137 OE1 GLN A 841 1.424 -23.367 2.856 1.00 39.30 O ATOM 2138 NE2 GLN A 841 -0.030 -25.044 3.186 1.00 33.11 N ATOM 2139 HE22 GLN A 841 -0.351 -25.993 2.908 1.00 0.00 H ATOM 2140 HE21 GLN A 841 -0.518 -24.532 3.949 1.00 0.00 H ATOM 2141 H GLN A 841 4.669 -24.903 0.950 1.00 0.00 H ATOM 2142 N LEU A 842 5.990 -26.687 3.079 1.00 25.10 N ATOM 2143 CA LEU A 842 6.988 -27.625 3.584 1.00 25.94 C ATOM 2144 C LEU A 842 7.870 -27.004 4.666 1.00 27.49 C ATOM 2145 O LEU A 842 8.207 -25.831 4.587 1.00 26.87 O ATOM 2146 CB LEU A 842 7.874 -28.101 2.438 1.00 27.61 C ATOM 2147 CG LEU A 842 7.195 -28.843 1.295 1.00 27.41 C ATOM 2148 CD1 LEU A 842 8.253 -29.207 0.254 1.00 25.20 C ATOM 2149 CD2 LEU A 842 6.473 -30.076 1.839 1.00 32.18 C ATOM 2150 H LEU A 842 6.307 -25.917 2.455 1.00 0.00 H ATOM 2151 N THR A 843 8.260 -27.795 5.660 1.00 23.59 N ATOM 2152 CA THR A 843 9.202 -27.323 6.677 1.00 31.23 C ATOM 2153 C THR A 843 10.637 -27.193 6.155 1.00 26.71 C ATOM 2154 O THR A 843 10.996 -27.737 5.090 1.00 24.99 O ATOM 2155 CB THR A 843 9.243 -28.263 7.905 1.00 33.23 C ATOM 2156 OG1 THR A 843 9.962 -29.455 7.563 1.00 32.82 O ATOM 2157 CG2 THR A 843 7.845 -28.635 8.366 1.00 30.70 C ATOM 2158 HG1 THR A 843 9.990 -30.059 8.347 1.00 0.00 H ATOM 2159 H THR A 843 7.890 -28.765 5.717 1.00 0.00 H ATOM 2160 N ASP A 844 11.465 -26.482 6.915 1.00 27.58 N ATOM 2161 CA ASP A 844 12.881 -26.368 6.596 1.00 27.90 C ATOM 2162 C ASP A 844 13.538 -27.756 6.486 1.00 22.67 C ATOM 2163 O ASP A 844 14.351 -28.001 5.590 1.00 29.44 O ATOM 2164 CB ASP A 844 13.621 -25.542 7.656 1.00 31.81 C ATOM 2165 CG ASP A 844 13.258 -24.063 7.629 1.00 37.28 C ATOM 2166 OD1 ASP A 844 12.648 -23.589 6.641 1.00 34.47 O ATOM 2167 OD2 ASP A 844 13.597 -23.370 8.613 1.00 37.51 O ATOM 2168 H ASP A 844 11.093 -25.997 7.756 1.00 0.00 H ATOM 2169 N GLU A 845 13.174 -28.651 7.399 1.00 23.65 N ATOM 2170 CA GLU A 845 13.746 -29.990 7.430 1.00 27.16 C ATOM 2171 C GLU A 845 13.385 -30.730 6.155 1.00 30.56 C ATOM 2172 O GLU A 845 14.220 -31.407 5.563 1.00 29.50 O ATOM 2173 CB GLU A 845 13.270 -30.768 8.664 1.00 36.43 C ATOM 2174 CG GLU A 845 13.888 -30.294 9.985 1.00 49.25 C ATOM 2175 CD GLU A 845 13.530 -28.848 10.346 1.00 58.34 C ATOM 2176 OE1 GLU A 845 12.366 -28.429 10.109 1.00 52.38 O ATOM 2177 OE2 GLU A 845 14.419 -28.130 10.863 1.00 54.98 O ATOM 2178 H GLU A 845 12.462 -28.388 8.110 1.00 0.00 H ATOM 2179 N GLN A 846 12.140 -30.582 5.720 1.00 28.30 N ATOM 2180 CA GLN A 846 11.693 -31.226 4.491 1.00 26.33 C ATOM 2181 C GLN A 846 12.416 -30.666 3.279 1.00 23.98 C ATOM 2182 O GLN A 846 12.702 -31.388 2.324 1.00 25.81 O ATOM 2183 CB GLN A 846 10.192 -31.058 4.325 1.00 24.06 C ATOM 2184 CG GLN A 846 9.385 -31.919 5.273 1.00 25.40 C ATOM 2185 CD GLN A 846 7.911 -31.703 5.092 1.00 27.24 C ATOM 2186 OE1 GLN A 846 7.447 -30.560 5.071 1.00 26.96 O ATOM 2187 NE2 GLN A 846 7.163 -32.791 4.928 1.00 26.83 N ATOM 2188 HE22 GLN A 846 7.603 -33.733 4.954 1.00 0.00 H ATOM 2189 HE21 GLN A 846 6.139 -32.699 4.774 1.00 0.00 H ATOM 2190 H GLN A 846 11.473 -29.998 6.264 1.00 0.00 H ATOM 2191 N VAL A 847 12.707 -29.372 3.307 1.00 22.10 N ATOM 2192 CA VAL A 847 13.383 -28.741 2.193 1.00 21.98 C ATOM 2193 C VAL A 847 14.818 -29.265 2.129 1.00 23.70 C ATOM 2194 O VAL A 847 15.351 -29.533 1.048 1.00 21.53 O ATOM 2195 CB VAL A 847 13.358 -27.200 2.314 1.00 24.66 C ATOM 2196 CG1 VAL A 847 14.334 -26.556 1.340 1.00 31.48 C ATOM 2197 CG2 VAL A 847 11.931 -26.658 2.083 1.00 23.00 C ATOM 2198 H VAL A 847 12.447 -28.804 4.139 1.00 0.00 H ATOM 2199 N ILE A 848 15.433 -29.438 3.296 1.00 26.85 N ATOM 2200 CA ILE A 848 16.790 -29.960 3.351 1.00 27.22 C ATOM 2201 C ILE A 848 16.799 -31.426 2.899 1.00 28.58 C ATOM 2202 O ILE A 848 17.718 -31.861 2.197 1.00 30.61 O ATOM 2203 CB ILE A 848 17.393 -29.786 4.776 1.00 26.23 C ATOM 2204 CG1 ILE A 848 17.643 -28.289 5.045 1.00 25.87 C ATOM 2205 CG2 ILE A 848 18.714 -30.556 4.915 1.00 27.29 C ATOM 2206 CD1 ILE A 848 17.817 -27.927 6.500 1.00 31.60 C ATOM 2207 H ILE A 848 14.938 -29.197 4.179 1.00 0.00 H ATOM 2208 N GLU A 849 15.760 -32.181 3.260 1.00 28.14 N ATOM 2209 CA GLU A 849 15.657 -33.563 2.818 1.00 24.08 C ATOM 2210 C GLU A 849 15.470 -33.644 1.303 1.00 26.19 C ATOM 2211 O GLU A 849 15.948 -34.581 0.666 1.00 29.71 O ATOM 2212 CB GLU A 849 14.505 -34.284 3.540 1.00 26.27 C ATOM 2213 CG GLU A 849 14.390 -35.771 3.218 1.00 50.41 C ATOM 2214 CD GLU A 849 15.716 -36.530 3.308 1.00 56.27 C ATOM 2215 OE1 GLU A 849 16.561 -36.205 4.175 1.00 59.26 O ATOM 2216 OE2 GLU A 849 15.909 -37.464 2.499 1.00 59.29 O ATOM 2217 H GLU A 849 15.016 -31.777 3.864 1.00 0.00 H ATOM 2218 N ASN A 850 14.784 -32.662 0.724 1.00 24.91 N ATOM 2219 CA ASN A 850 14.613 -32.632 -0.718 1.00 25.89 C ATOM 2220 C ASN A 850 15.972 -32.589 -1.429 1.00 29.18 C ATOM 2221 O ASN A 850 16.140 -33.184 -2.485 1.00 25.66 O ATOM 2222 CB ASN A 850 13.753 -31.436 -1.138 1.00 26.80 C ATOM 2223 CG ASN A 850 13.264 -31.549 -2.557 1.00 25.01 C ATOM 2224 OD1 ASN A 850 12.845 -32.626 -2.995 1.00 28.97 O ATOM 2225 ND2 ASN A 850 13.307 -30.442 -3.292 1.00 26.83 N ATOM 2226 HD22 ASN A 850 13.668 -29.558 -2.880 1.00 0.00 H ATOM 2227 HD21 ASN A 850 12.980 -30.460 -4.279 1.00 0.00 H ATOM 2228 H ASN A 850 14.367 -31.910 1.309 1.00 0.00 H ATOM 2229 N ALA A 851 16.939 -31.889 -0.843 1.00 26.92 N ATOM 2230 CA ALA A 851 18.267 -31.818 -1.447 1.00 30.85 C ATOM 2231 C ALA A 851 18.882 -33.207 -1.510 1.00 28.62 C ATOM 2232 O ALA A 851 19.516 -33.561 -2.505 1.00 25.68 O ATOM 2233 CB ALA A 851 19.165 -30.865 -0.675 1.00 26.32 C ATOM 2234 H ALA A 851 16.749 -31.390 0.049 1.00 0.00 H ATOM 2235 N GLY A 852 18.673 -33.984 -0.449 1.00 22.88 N ATOM 2236 CA GLY A 852 19.111 -35.369 -0.379 1.00 26.54 C ATOM 2237 C GLY A 852 18.471 -36.248 -1.438 1.00 30.14 C ATOM 2238 O GLY A 852 19.067 -37.225 -1.896 1.00 33.22 O ATOM 2239 H GLY A 852 18.173 -33.581 0.369 1.00 0.00 H ATOM 2240 N GLU A 853 17.246 -35.909 -1.831 1.00 31.97 N ATOM 2241 CA GLU A 853 16.571 -36.659 -2.878 1.00 29.67 C ATOM 2242 C GLU A 853 17.141 -36.358 -4.263 1.00 33.07 C ATOM 2243 O GLU A 853 17.143 -37.235 -5.137 1.00 30.58 O ATOM 2244 CB GLU A 853 15.066 -36.385 -2.857 1.00 33.82 C ATOM 2245 CG GLU A 853 14.362 -36.971 -1.643 1.00 35.63 C ATOM 2246 CD GLU A 853 14.244 -38.504 -1.683 1.00 56.78 C ATOM 2247 OE1 GLU A 853 14.717 -39.136 -2.657 1.00 60.03 O ATOM 2248 OE2 GLU A 853 13.673 -39.080 -0.730 1.00 63.03 O ATOM 2249 H GLU A 853 16.767 -35.101 -1.385 1.00 0.00 H ATOM 2250 N PHE A 854 17.599 -35.121 -4.466 1.00 27.70 N ATOM 2251 CA PHE A 854 18.345 -34.761 -5.665 1.00 26.67 C ATOM 2252 C PHE A 854 19.646 -35.564 -5.760 1.00 34.84 C ATOM 2253 O PHE A 854 19.970 -36.122 -6.814 1.00 31.32 O ATOM 2254 CB PHE A 854 18.653 -33.260 -5.676 1.00 26.64 C ATOM 2255 CG PHE A 854 17.537 -32.412 -6.233 1.00 28.03 C ATOM 2256 CD1 PHE A 854 17.375 -32.277 -7.604 1.00 22.71 C ATOM 2257 CD2 PHE A 854 16.662 -31.741 -5.390 1.00 31.52 C ATOM 2258 CE1 PHE A 854 16.359 -31.495 -8.126 1.00 23.32 C ATOM 2259 CE2 PHE A 854 15.641 -30.952 -5.914 1.00 26.25 C ATOM 2260 CZ PHE A 854 15.493 -30.836 -7.284 1.00 25.21 C ATOM 2261 H PHE A 854 17.418 -34.392 -3.747 1.00 0.00 H ATOM 2262 N PHE A 855 20.382 -35.621 -4.657 1.00 28.09 N ATOM 2263 CA PHE A 855 21.623 -36.405 -4.593 1.00 33.80 C ATOM 2264 C PHE A 855 21.425 -37.862 -4.991 1.00 37.99 C ATOM 2265 O PHE A 855 22.111 -38.372 -5.880 1.00 40.85 O ATOM 2266 CB PHE A 855 22.221 -36.337 -3.183 1.00 31.50 C ATOM 2267 CG PHE A 855 23.441 -37.205 -2.991 1.00 37.84 C ATOM 2268 CD1 PHE A 855 24.614 -36.934 -3.672 1.00 37.77 C ATOM 2269 CD2 PHE A 855 23.413 -38.280 -2.116 1.00 45.03 C ATOM 2270 CE1 PHE A 855 25.736 -37.723 -3.490 1.00 38.02 C ATOM 2271 CE2 PHE A 855 24.525 -39.076 -1.934 1.00 47.61 C ATOM 2272 CZ PHE A 855 25.689 -38.798 -2.622 1.00 45.07 C ATOM 2273 H PHE A 855 20.072 -35.096 -3.815 1.00 0.00 H ATOM 2274 N ARG A 856 20.475 -38.528 -4.337 1.00 36.65 N ATOM 2275 CA ARG A 856 20.254 -39.952 -4.549 1.00 38.13 C ATOM 2276 C ARG A 856 19.670 -40.259 -5.929 1.00 38.44 C ATOM 2277 O ARG A 856 19.760 -41.385 -6.405 1.00 44.26 O ATOM 2278 CB ARG A 856 19.354 -40.505 -3.441 1.00 38.47 C ATOM 2279 CG ARG A 856 20.034 -40.491 -2.074 1.00 40.53 C ATOM 2280 CD ARG A 856 19.211 -41.185 -0.990 1.00 44.67 C ATOM 2281 NE ARG A 856 18.155 -40.332 -0.444 1.00 39.13 N ATOM 2282 CZ ARG A 856 18.363 -39.326 0.403 1.00 36.09 C ATOM 2283 NH1 ARG A 856 17.342 -38.608 0.849 1.00 35.40 N ATOM 2284 NH2 ARG A 856 19.591 -39.024 0.795 1.00 32.76 N ATOM 2285 HE ARG A 856 17.176 -40.524 -0.737 1.00 0.00 H ATOM 2286 HH12 ARG A 856 17.508 -37.823 1.511 1.00 0.00 H ATOM 2287 HH11 ARG A 856 16.375 -38.830 0.537 1.00 0.00 H ATOM 2288 HH22 ARG A 856 19.747 -38.237 1.457 1.00 0.00 H ATOM 2289 HH21 ARG A 856 20.400 -39.574 0.441 1.00 0.00 H ATOM 2290 H ARG A 856 19.875 -38.018 -3.657 1.00 0.00 H ATOM 2291 N ASP A 857 19.077 -39.254 -6.567 1.00 41.08 N ATOM 2292 CA ASP A 857 18.632 -39.359 -7.961 1.00 42.78 C ATOM 2293 C ASP A 857 17.688 -40.530 -8.274 1.00 43.41 C ATOM 2294 O ASP A 857 17.841 -41.200 -9.295 1.00 43.17 O ATOM 2295 CB ASP A 857 19.861 -39.450 -8.875 1.00 51.18 C ATOM 2296 CG ASP A 857 19.637 -38.792 -10.224 1.00 54.65 C ATOM 2297 OD1 ASP A 857 18.631 -38.065 -10.374 1.00 56.09 O ATOM 2298 OD2 ASP A 857 20.479 -38.983 -11.129 1.00 56.15 O ATOM 2299 H ASP A 857 18.923 -38.360 -6.059 1.00 0.00 H ATOM 2300 N GLN A 858 16.713 -40.767 -7.405 1.00 38.10 N ATOM 2301 CA GLN A 858 15.767 -41.863 -7.598 1.00 37.01 C ATOM 2302 C GLN A 858 14.380 -41.371 -8.029 1.00 40.20 C ATOM 2303 O GLN A 858 13.395 -42.092 -7.909 1.00 42.18 O ATOM 2304 CB GLN A 858 15.664 -42.681 -6.312 1.00 39.05 C ATOM 2305 CG GLN A 858 16.997 -43.290 -5.872 1.00 49.94 C ATOM 2306 CD GLN A 858 16.989 -43.725 -4.418 1.00 56.36 C ATOM 2307 OE1 GLN A 858 16.004 -43.527 -3.705 1.00 61.47 O ATOM 2308 NE2 GLN A 858 18.093 -44.315 -3.970 1.00 52.79 N ATOM 2309 HE22 GLN A 858 18.900 -44.461 -4.609 1.00 0.00 H ATOM 2310 HE21 GLN A 858 18.149 -44.630 -2.981 1.00 0.00 H ATOM 2311 H GLN A 858 16.621 -40.158 -6.567 1.00 0.00 H ATOM 2312 N GLY A 859 14.316 -40.140 -8.526 1.00 38.45 N ATOM 2313 CA GLY A 859 13.071 -39.567 -9.018 1.00 39.25 C ATOM 2314 C GLY A 859 12.044 -39.203 -7.955 1.00 42.35 C ATOM 2315 O GLY A 859 10.848 -39.116 -8.241 1.00 46.08 O ATOM 2316 H GLY A 859 15.183 -39.567 -8.565 1.00 0.00 H ATOM 2317 N ARG A 860 12.494 -38.989 -6.725 1.00 34.02 N ATOM 2318 CA ARG A 860 11.568 -38.631 -5.656 1.00 34.49 C ATOM 2319 C ARG A 860 11.667 -37.158 -5.268 1.00 34.32 C ATOM 2320 O ARG A 860 10.927 -36.701 -4.400 1.00 32.03 O ATOM 2321 CB ARG A 860 11.812 -39.487 -4.418 1.00 44.34 C ATOM 2322 CG ARG A 860 12.085 -40.944 -4.720 1.00 57.07 C ATOM 2323 CD ARG A 860 11.942 -41.797 -3.474 1.00 67.61 C ATOM 2324 NE ARG A 860 12.843 -42.944 -3.500 1.00 77.44 N ATOM 2325 CZ ARG A 860 12.676 -44.016 -4.269 1.00 82.74 C ATOM 2326 NH1 ARG A 860 11.637 -44.098 -5.091 1.00 82.83 N ATOM 2327 NH2 ARG A 860 13.557 -45.006 -4.218 1.00 85.64 N ATOM 2328 HE ARG A 860 13.673 -42.922 -2.874 1.00 0.00 H ATOM 2329 HH12 ARG A 860 11.513 -44.939 -5.690 1.00 0.00 H ATOM 2330 HH11 ARG A 860 10.947 -43.321 -5.136 1.00 0.00 H ATOM 2331 HH22 ARG A 860 13.430 -45.846 -4.818 1.00 0.00 H ATOM 2332 HH21 ARG A 860 14.375 -44.942 -3.578 1.00 0.00 H ATOM 2333 H ARG A 860 13.510 -39.077 -6.522 1.00 0.00 H ATOM 2334 N GLN A 861 12.588 -36.421 -5.881 1.00 26.93 N ATOM 2335 CA GLN A 861 12.748 -35.017 -5.513 1.00 28.33 C ATOM 2336 C GLN A 861 11.557 -34.233 -6.038 1.00 32.39 C ATOM 2337 O GLN A 861 10.899 -34.657 -6.981 1.00 32.77 O ATOM 2338 CB GLN A 861 14.062 -34.421 -6.045 1.00 28.09 C ATOM 2339 CG GLN A 861 14.171 -34.266 -7.554 1.00 27.75 C ATOM 2340 CD GLN A 861 14.420 -35.579 -8.285 1.00 43.99 C ATOM 2341 OE1 GLN A 861 14.471 -36.653 -7.679 1.00 48.71 O ATOM 2342 NE2 GLN A 861 14.578 -35.494 -9.602 1.00 49.54 N ATOM 2343 HE22 GLN A 861 14.527 -34.568 -10.073 1.00 0.00 H ATOM 2344 HE21 GLN A 861 14.752 -36.353 -10.161 1.00 0.00 H ATOM 2345 H GLN A 861 13.190 -36.841 -6.617 1.00 0.00 H ATOM 2346 N VAL A 862 11.273 -33.096 -5.412 1.00 25.61 N ATOM 2347 CA VAL A 862 10.159 -32.259 -5.863 1.00 23.71 C ATOM 2348 C VAL A 862 10.619 -30.870 -6.262 1.00 24.16 C ATOM 2349 O VAL A 862 11.707 -30.414 -5.867 1.00 21.14 O ATOM 2350 CB VAL A 862 9.063 -32.137 -4.789 1.00 22.53 C ATOM 2351 CG1 VAL A 862 8.504 -33.518 -4.443 1.00 28.37 C ATOM 2352 CG2 VAL A 862 9.581 -31.432 -3.551 1.00 28.34 C ATOM 2353 H VAL A 862 11.846 -32.798 -4.596 1.00 0.00 H ATOM 2354 N TYR A 863 9.789 -30.207 -7.068 1.00 21.42 N ATOM 2355 CA TYR A 863 10.100 -28.891 -7.594 1.00 22.28 C ATOM 2356 C TYR A 863 8.967 -27.943 -7.292 1.00 22.23 C ATOM 2357 O TYR A 863 7.835 -28.368 -7.086 1.00 20.97 O ATOM 2358 CB TYR A 863 10.309 -28.928 -9.104 1.00 20.20 C ATOM 2359 CG TYR A 863 11.315 -29.943 -9.559 1.00 20.32 C ATOM 2360 CD1 TYR A 863 10.963 -31.279 -9.737 1.00 25.68 C ATOM 2361 CD2 TYR A 863 12.627 -29.563 -9.813 1.00 23.66 C ATOM 2362 CE1 TYR A 863 11.906 -32.216 -10.144 1.00 29.56 C ATOM 2363 CE2 TYR A 863 13.569 -30.485 -10.217 1.00 23.12 C ATOM 2364 CZ TYR A 863 13.205 -31.802 -10.387 1.00 29.27 C ATOM 2365 OH TYR A 863 14.160 -32.693 -10.798 1.00 32.13 O ATOM 2366 HH TYR A 863 14.515 -32.411 -11.678 1.00 0.00 H ATOM 2367 H TYR A 863 8.885 -30.650 -7.329 1.00 0.00 H ATOM 2368 N LEU A 864 9.289 -26.654 -7.313 1.00 23.91 N ATOM 2369 CA LEU A 864 8.288 -25.584 -7.329 1.00 19.08 C ATOM 2370 C LEU A 864 7.335 -25.786 -8.494 1.00 24.15 C ATOM 2371 O LEU A 864 7.769 -26.177 -9.583 1.00 20.28 O ATOM 2372 CB LEU A 864 8.982 -24.217 -7.428 1.00 18.29 C ATOM 2373 CG LEU A 864 9.839 -23.900 -6.197 1.00 20.41 C ATOM 2374 CD1 LEU A 864 10.676 -22.665 -6.486 1.00 17.55 C ATOM 2375 CD2 LEU A 864 8.945 -23.667 -4.962 1.00 20.98 C ATOM 2376 H LEU A 864 10.296 -26.393 -7.318 1.00 0.00 H ATOM 2377 N SER A 865 6.054 -25.516 -8.252 1.00 24.50 N ATOM 2378 CA SER A 865 4.986 -25.708 -9.248 1.00 24.31 C ATOM 2379 C SER A 865 4.892 -24.501 -10.170 1.00 26.92 C ATOM 2380 O SER A 865 5.397 -23.425 -9.848 1.00 26.73 O ATOM 2381 CB SER A 865 3.632 -25.954 -8.562 1.00 31.79 C ATOM 2382 OG SER A 865 3.626 -27.172 -7.836 1.00 30.73 O ATOM 2383 HG SER A 865 2.741 -27.296 -7.409 1.00 0.00 H ATOM 2384 H SER A 865 5.795 -25.151 -7.313 1.00 0.00 H ATOM 2385 N ARG A 866 4.231 -24.672 -11.315 1.00 24.28 N ATOM 2386 CA ARG A 866 4.121 -23.604 -12.305 1.00 25.63 C ATOM 2387 C ARG A 866 3.226 -22.475 -11.801 1.00 25.10 C ATOM 2388 O ARG A 866 2.067 -22.705 -11.488 1.00 23.07 O ATOM 2389 CB ARG A 866 3.573 -24.158 -13.623 1.00 25.85 C ATOM 2390 CG ARG A 866 3.575 -23.164 -14.769 1.00 24.92 C ATOM 2391 CD ARG A 866 3.075 -23.806 -16.052 1.00 24.33 C ATOM 2392 NE ARG A 866 1.687 -24.237 -15.928 1.00 26.71 N ATOM 2393 CZ ARG A 866 1.072 -25.040 -16.789 1.00 34.68 C ATOM 2394 NH1 ARG A 866 1.723 -25.515 -17.847 1.00 35.52 N ATOM 2395 NH2 ARG A 866 -0.192 -25.375 -16.587 1.00 35.10 N ATOM 2396 HE ARG A 866 1.143 -23.893 -15.111 1.00 0.00 H ATOM 2397 HH12 ARG A 866 1.237 -26.143 -18.518 1.00 0.00 H ATOM 2398 HH11 ARG A 866 2.719 -25.258 -18.003 1.00 0.00 H ATOM 2399 HH22 ARG A 866 -0.677 -26.003 -17.259 1.00 0.00 H ATOM 2400 HH21 ARG A 866 -0.700 -25.010 -15.756 1.00 0.00 H ATOM 2401 H ARG A 866 3.782 -25.590 -11.508 1.00 0.00 H ATOM 2402 N PRO A 867 3.766 -21.243 -11.719 1.00 22.00 N ATOM 2403 CA PRO A 867 2.890 -20.122 -11.314 1.00 24.42 C ATOM 2404 C PRO A 867 1.740 -19.912 -12.285 1.00 23.84 C ATOM 2405 O PRO A 867 1.887 -20.193 -13.469 1.00 29.41 O ATOM 2406 CB PRO A 867 3.832 -18.911 -11.332 1.00 21.62 C ATOM 2407 CG PRO A 867 5.197 -19.517 -11.081 1.00 22.76 C ATOM 2408 CD PRO A 867 5.180 -20.839 -11.819 1.00 20.88 C ATOM 2409 N PRO A 868 0.588 -19.428 -11.787 1.00 24.82 N ATOM 2410 CA PRO A 868 -0.563 -19.143 -12.650 1.00 31.02 C ATOM 2411 C PRO A 868 -0.224 -18.168 -13.799 1.00 26.90 C ATOM 2412 O PRO A 868 -0.737 -18.365 -14.894 1.00 27.28 O ATOM 2413 CB PRO A 868 -1.593 -18.538 -11.678 1.00 28.31 C ATOM 2414 CG PRO A 868 -1.211 -19.078 -10.334 1.00 30.66 C ATOM 2415 CD PRO A 868 0.303 -19.195 -10.360 1.00 25.97 C ATOM 2416 N ALA A 869 0.638 -17.179 -13.560 1.00 30.97 N ATOM 2417 CA ALA A 869 1.059 -16.213 -14.595 1.00 27.29 C ATOM 2418 C ALA A 869 2.142 -16.732 -15.542 1.00 24.60 C ATOM 2419 O ALA A 869 2.538 -16.028 -16.462 1.00 29.13 O ATOM 2420 CB ALA A 869 1.567 -14.933 -13.943 1.00 25.79 C ATOM 2421 H ALA A 869 1.031 -17.084 -12.602 1.00 0.00 H ATOM 2422 N CYS A 870 2.630 -17.944 -15.303 1.00 23.78 N ATOM 2423 CA CYS A 870 3.752 -18.501 -16.063 1.00 21.41 C ATOM 2424 C CYS A 870 3.297 -19.506 -17.124 1.00 28.07 C ATOM 2425 O CYS A 870 2.731 -20.539 -16.787 1.00 35.71 O ATOM 2426 CB CYS A 870 4.725 -19.189 -15.104 1.00 21.56 C ATOM 2427 SG CYS A 870 6.199 -19.897 -15.891 1.00 26.19 S ATOM 2428 H CYS A 870 2.200 -18.518 -14.550 1.00 0.00 H ATOM 2429 N PRO A 871 3.564 -19.218 -18.407 1.00 30.27 N ATOM 2430 CA PRO A 871 3.221 -20.176 -19.464 1.00 28.70 C ATOM 2431 C PRO A 871 4.113 -21.421 -19.386 1.00 28.32 C ATOM 2432 O PRO A 871 5.205 -21.364 -18.805 1.00 24.94 O ATOM 2433 CB PRO A 871 3.475 -19.382 -20.753 1.00 32.20 C ATOM 2434 CG PRO A 871 3.519 -17.947 -20.330 1.00 35.70 C ATOM 2435 CD PRO A 871 4.100 -17.965 -18.961 1.00 30.77 C ATOM 2436 N GLN A 872 3.656 -22.536 -19.941 1.00 24.00 N ATOM 2437 CA GLN A 872 4.405 -23.783 -19.812 1.00 22.35 C ATOM 2438 C GLN A 872 5.848 -23.666 -20.368 1.00 30.97 C ATOM 2439 O GLN A 872 6.782 -24.210 -19.786 1.00 28.44 O ATOM 2440 CB GLN A 872 3.649 -24.932 -20.491 1.00 27.04 C ATOM 2441 CG GLN A 872 4.400 -26.268 -20.490 1.00 31.37 C ATOM 2442 CD GLN A 872 4.747 -26.788 -19.090 1.00 35.21 C ATOM 2443 OE1 GLN A 872 4.041 -26.522 -18.111 1.00 36.22 O ATOM 2444 NE2 GLN A 872 5.831 -27.556 -19.002 1.00 38.38 N ATOM 2445 HE22 GLN A 872 6.398 -27.755 -19.851 1.00 0.00 H ATOM 2446 HE21 GLN A 872 6.111 -27.957 -18.084 1.00 0.00 H ATOM 2447 H GLN A 872 2.761 -22.522 -20.470 1.00 0.00 H ATOM 2448 N GLY A 873 6.032 -22.943 -21.468 1.00 27.82 N ATOM 2449 CA GLY A 873 7.362 -22.774 -22.048 1.00 28.58 C ATOM 2450 C GLY A 873 8.385 -22.122 -21.127 1.00 30.37 C ATOM 2451 O GLY A 873 9.558 -22.523 -21.063 1.00 30.12 O ATOM 2452 H GLY A 873 5.215 -22.490 -21.924 1.00 0.00 H ATOM 2453 N LEU A 874 7.945 -21.098 -20.410 1.00 24.07 N ATOM 2454 CA LEU A 874 8.803 -20.424 -19.451 1.00 24.96 C ATOM 2455 C LEU A 874 9.080 -21.339 -18.267 1.00 27.60 C ATOM 2456 O LEU A 874 10.205 -21.396 -17.765 1.00 26.67 O ATOM 2457 CB LEU A 874 8.155 -19.119 -18.993 1.00 24.48 C ATOM 2458 CG LEU A 874 8.970 -18.227 -18.051 1.00 25.00 C ATOM 2459 CD1 LEU A 874 10.372 -18.030 -18.596 1.00 26.48 C ATOM 2460 CD2 LEU A 874 8.282 -16.891 -17.889 1.00 27.54 C ATOM 2461 H LEU A 874 6.966 -20.770 -20.536 1.00 0.00 H ATOM 2462 N TYR A 875 8.052 -22.075 -17.836 1.00 19.70 N ATOM 2463 CA TYR A 875 8.208 -23.008 -16.723 1.00 25.44 C ATOM 2464 C TYR A 875 9.250 -24.082 -17.047 1.00 25.43 C ATOM 2465 O TYR A 875 10.048 -24.461 -16.189 1.00 26.28 O ATOM 2466 CB TYR A 875 6.866 -23.647 -16.371 1.00 26.33 C ATOM 2467 CG TYR A 875 6.909 -24.595 -15.181 1.00 24.68 C ATOM 2468 CD1 TYR A 875 7.304 -24.150 -13.926 1.00 23.97 C ATOM 2469 CD2 TYR A 875 6.540 -25.927 -15.318 1.00 22.79 C ATOM 2470 CE1 TYR A 875 7.336 -25.008 -12.837 1.00 23.06 C ATOM 2471 CE2 TYR A 875 6.545 -26.797 -14.233 1.00 24.77 C ATOM 2472 CZ TYR A 875 6.958 -26.331 -12.998 1.00 20.29 C ATOM 2473 OH TYR A 875 6.956 -27.175 -11.911 1.00 20.50 O ATOM 2474 HH TYR A 875 7.278 -26.685 -11.113 1.00 0.00 H ATOM 2475 H TYR A 875 7.126 -21.982 -18.300 1.00 0.00 H ATOM 2476 N GLU A 876 9.259 -24.573 -18.281 1.00 24.54 N ATOM 2477 CA GLU A 876 10.280 -25.546 -18.672 1.00 27.79 C ATOM 2478 C GLU A 876 11.690 -24.963 -18.522 1.00 28.09 C ATOM 2479 O GLU A 876 12.612 -25.652 -18.084 1.00 25.75 O ATOM 2480 CB GLU A 876 10.052 -26.025 -20.100 1.00 33.08 C ATOM 2481 CG GLU A 876 8.786 -26.849 -20.243 1.00 43.00 C ATOM 2482 CD GLU A 876 8.511 -27.261 -21.677 1.00 66.96 C ATOM 2483 OE1 GLU A 876 9.337 -26.938 -22.561 1.00 77.33 O ATOM 2484 OE2 GLU A 876 7.467 -27.906 -21.921 1.00 68.03 O ATOM 2485 H GLU A 876 8.541 -24.266 -18.969 1.00 0.00 H ATOM 2486 N LEU A 877 11.853 -23.693 -18.862 1.00 27.68 N ATOM 2487 CA LEU A 877 13.138 -23.032 -18.640 1.00 29.83 C ATOM 2488 C LEU A 877 13.460 -22.989 -17.150 1.00 28.60 C ATOM 2489 O LEU A 877 14.579 -23.310 -16.724 1.00 23.96 O ATOM 2490 CB LEU A 877 13.131 -21.621 -19.210 1.00 32.79 C ATOM 2491 CG LEU A 877 14.479 -20.915 -19.118 1.00 37.19 C ATOM 2492 CD1 LEU A 877 15.471 -21.523 -20.093 1.00 42.77 C ATOM 2493 CD2 LEU A 877 14.320 -19.428 -19.355 1.00 27.44 C ATOM 2494 H LEU A 877 11.065 -23.165 -19.288 1.00 0.00 H ATOM 2495 N MET A 878 12.466 -22.603 -16.356 1.00 23.23 N ATOM 2496 CA MET A 878 12.617 -22.585 -14.899 1.00 21.07 C ATOM 2497 C MET A 878 13.096 -23.941 -14.400 1.00 19.15 C ATOM 2498 O MET A 878 14.027 -24.019 -13.602 1.00 26.11 O ATOM 2499 CB MET A 878 11.299 -22.214 -14.200 1.00 25.15 C ATOM 2500 CG MET A 878 10.932 -20.730 -14.222 1.00 17.44 C ATOM 2501 SD MET A 878 9.357 -20.406 -13.372 1.00 32.88 S ATOM 2502 CE MET A 878 9.295 -21.780 -12.234 1.00 27.98 C ATOM 2503 H MET A 878 11.562 -22.308 -16.778 1.00 0.00 H ATOM 2504 N LEU A 879 12.463 -25.011 -14.872 1.00 20.93 N ATOM 2505 CA LEU A 879 12.851 -26.356 -14.446 1.00 23.30 C ATOM 2506 C LEU A 879 14.308 -26.676 -14.770 1.00 26.68 C ATOM 2507 O LEU A 879 14.973 -27.388 -14.012 1.00 24.27 O ATOM 2508 CB LEU A 879 11.931 -27.405 -15.082 1.00 25.00 C ATOM 2509 CG LEU A 879 10.495 -27.394 -14.556 1.00 27.29 C ATOM 2510 CD1 LEU A 879 9.636 -28.423 -15.318 1.00 30.30 C ATOM 2511 CD2 LEU A 879 10.489 -27.674 -13.053 1.00 24.66 C ATOM 2512 H LEU A 879 11.684 -24.891 -15.551 1.00 0.00 H ATOM 2513 N ARG A 880 14.818 -26.146 -15.879 1.00 24.35 N ATOM 2514 CA ARG A 880 16.195 -26.405 -16.283 1.00 27.71 C ATOM 2515 C ARG A 880 17.188 -25.772 -15.318 1.00 26.75 C ATOM 2516 O ARG A 880 18.302 -26.266 -15.153 1.00 26.24 O ATOM 2517 CB ARG A 880 16.438 -25.907 -17.710 1.00 23.56 C ATOM 2518 CG ARG A 880 15.840 -26.829 -18.770 1.00 34.98 C ATOM 2519 CD ARG A 880 16.238 -26.432 -20.190 1.00 41.46 C ATOM 2520 NE ARG A 880 17.581 -25.859 -20.285 1.00 41.97 N ATOM 2521 CZ ARG A 880 18.715 -26.530 -20.103 1.00 38.31 C ATOM 2522 NH1 ARG A 880 18.698 -27.820 -19.786 1.00 47.49 N ATOM 2523 NH2 ARG A 880 19.876 -25.900 -20.225 1.00 24.99 N ATOM 2524 HE ARG A 880 17.655 -24.847 -20.513 1.00 0.00 H ATOM 2525 HH12 ARG A 880 19.592 -28.333 -19.646 1.00 0.00 H ATOM 2526 HH11 ARG A 880 17.791 -28.317 -19.677 1.00 0.00 H ATOM 2527 HH22 ARG A 880 20.766 -26.419 -20.084 1.00 0.00 H ATOM 2528 HH21 ARG A 880 19.896 -24.887 -20.462 1.00 0.00 H ATOM 2529 H ARG A 880 14.221 -25.533 -16.471 1.00 0.00 H ATOM 2530 N CYS A 881 16.777 -24.679 -14.668 1.00 20.38 N ATOM 2531 CA CYS A 881 17.620 -24.050 -13.645 1.00 19.57 C ATOM 2532 C CYS A 881 17.829 -24.968 -12.440 1.00 20.70 C ATOM 2533 O CYS A 881 18.741 -24.774 -11.636 1.00 24.64 O ATOM 2534 CB CYS A 881 17.002 -22.732 -13.166 1.00 20.70 C ATOM 2535 SG CYS A 881 16.921 -21.484 -14.440 1.00 22.74 S ATOM 2536 H CYS A 881 15.847 -24.269 -14.890 1.00 0.00 H ATOM 2537 N TRP A 882 16.960 -25.961 -12.304 1.00 22.30 N ATOM 2538 CA TRP A 882 16.985 -26.852 -11.152 1.00 18.83 C ATOM 2539 C TRP A 882 17.453 -28.235 -11.567 1.00 26.02 C ATOM 2540 O TRP A 882 17.172 -29.229 -10.892 1.00 25.64 O ATOM 2541 CB TRP A 882 15.595 -26.916 -10.505 1.00 24.63 C ATOM 2542 CG TRP A 882 15.074 -25.542 -10.117 1.00 23.09 C ATOM 2543 CD1 TRP A 882 15.802 -24.491 -9.608 1.00 25.87 C ATOM 2544 CD2 TRP A 882 13.729 -25.074 -10.234 1.00 22.08 C ATOM 2545 NE1 TRP A 882 14.976 -23.407 -9.389 1.00 23.93 N ATOM 2546 CE2 TRP A 882 13.703 -23.740 -9.774 1.00 21.69 C ATOM 2547 CE3 TRP A 882 12.544 -25.650 -10.692 1.00 23.10 C ATOM 2548 CZ2 TRP A 882 12.526 -22.978 -9.750 1.00 22.61 C ATOM 2549 CZ3 TRP A 882 11.372 -24.879 -10.664 1.00 18.76 C ATOM 2550 CH2 TRP A 882 11.379 -23.573 -10.189 1.00 23.23 C ATOM 2551 HE1 TRP A 882 15.270 -22.490 -8.997 1.00 0.00 H ATOM 2552 H TRP A 882 16.241 -26.107 -13.041 1.00 0.00 H ATOM 2553 N SER A 883 18.165 -28.296 -12.689 1.00 23.08 N ATOM 2554 CA SER A 883 18.789 -29.546 -13.114 1.00 27.95 C ATOM 2555 C SER A 883 19.712 -30.096 -12.038 1.00 22.73 C ATOM 2556 O SER A 883 20.417 -29.331 -11.358 1.00 24.31 O ATOM 2557 CB SER A 883 19.575 -29.338 -14.409 1.00 29.75 C ATOM 2558 OG SER A 883 18.708 -28.958 -15.458 1.00 29.36 O ATOM 2559 HG SER A 883 18.034 -29.669 -15.601 1.00 0.00 H ATOM 2560 H SER A 883 18.279 -27.442 -13.271 1.00 0.00 H ATOM 2561 N ARG A 884 19.722 -31.425 -11.876 1.00 28.06 N ATOM 2562 CA ARG A 884 20.632 -32.030 -10.911 1.00 28.38 C ATOM 2563 C ARG A 884 22.083 -31.709 -11.241 1.00 31.99 C ATOM 2564 O ARG A 884 22.859 -31.319 -10.362 1.00 30.90 O ATOM 2565 CB ARG A 884 20.440 -33.544 -10.846 1.00 29.28 C ATOM 2566 CG ARG A 884 21.260 -34.192 -9.739 1.00 29.05 C ATOM 2567 CD ARG A 884 21.280 -35.714 -9.838 1.00 35.18 C ATOM 2568 NE ARG A 884 21.929 -36.298 -8.669 1.00 36.63 N ATOM 2569 CZ ARG A 884 23.236 -36.531 -8.568 1.00 43.01 C ATOM 2570 NH1 ARG A 884 24.053 -36.232 -9.572 1.00 44.40 N ATOM 2571 NH2 ARG A 884 23.727 -37.069 -7.460 1.00 35.42 N ATOM 2572 HE ARG A 884 21.329 -36.550 -7.858 1.00 0.00 H ATOM 2573 HH12 ARG A 884 25.073 -36.417 -9.485 1.00 0.00 H ATOM 2574 HH11 ARG A 884 23.673 -35.813 -10.445 1.00 0.00 H ATOM 2575 HH22 ARG A 884 24.748 -37.252 -7.379 1.00 0.00 H ATOM 2576 HH21 ARG A 884 23.092 -37.308 -6.672 1.00 0.00 H ATOM 2577 H ARG A 884 19.083 -32.024 -12.437 1.00 0.00 H ATOM 2578 N GLU A 885 22.456 -31.881 -12.505 1.00 28.36 N ATOM 2579 CA GLU A 885 23.825 -31.604 -12.929 1.00 30.54 C ATOM 2580 C GLU A 885 24.026 -30.111 -13.194 1.00 28.24 C ATOM 2581 O GLU A 885 23.300 -29.524 -14.002 1.00 27.71 O ATOM 2582 CB GLU A 885 24.160 -32.426 -14.173 1.00 40.65 C ATOM 2583 CG GLU A 885 23.714 -33.870 -14.064 1.00 38.02 C ATOM 2584 CD GLU A 885 24.302 -34.563 -12.846 1.00 42.72 C ATOM 2585 OE1 GLU A 885 25.438 -34.223 -12.460 1.00 49.91 O ATOM 2586 OE2 GLU A 885 23.630 -35.442 -12.269 1.00 46.98 O ATOM 2587 H GLU A 885 21.762 -32.218 -13.202 1.00 0.00 H ATOM 2588 N SER A 886 24.997 -29.508 -12.506 1.00 27.21 N ATOM 2589 CA SER A 886 25.267 -28.075 -12.631 1.00 30.10 C ATOM 2590 C SER A 886 25.464 -27.638 -14.071 1.00 29.73 C ATOM 2591 O SER A 886 25.044 -26.544 -14.454 1.00 25.81 O ATOM 2592 CB SER A 886 26.506 -27.684 -11.821 1.00 34.09 C ATOM 2593 OG SER A 886 26.260 -27.830 -10.440 1.00 38.44 O ATOM 2594 HG SER A 886 27.070 -27.573 -9.933 1.00 0.00 H ATOM 2595 H SER A 886 25.582 -30.075 -11.859 1.00 0.00 H ATOM 2596 N GLU A 887 26.118 -28.485 -14.865 1.00 35.94 N ATOM 2597 CA GLU A 887 26.439 -28.131 -16.241 1.00 35.98 C ATOM 2598 C GLU A 887 25.221 -28.101 -17.175 1.00 36.57 C ATOM 2599 O GLU A 887 25.300 -27.546 -18.271 1.00 40.26 O ATOM 2600 CB GLU A 887 27.488 -29.100 -16.804 1.00 38.79 C ATOM 2601 CG GLU A 887 27.019 -30.547 -16.905 1.00 48.32 C ATOM 2602 CD GLU A 887 27.260 -31.362 -15.636 1.00 48.81 C ATOM 2603 OE1 GLU A 887 27.578 -30.772 -14.579 1.00 42.39 O ATOM 2604 OE2 GLU A 887 27.132 -32.605 -15.701 1.00 56.20 O ATOM 2605 H GLU A 887 26.404 -29.414 -14.496 1.00 0.00 H ATOM 2606 N GLN A 888 24.105 -28.694 -16.760 1.00 31.82 N ATOM 2607 CA GLN A 888 22.901 -28.692 -17.599 1.00 32.77 C ATOM 2608 C GLN A 888 21.976 -27.494 -17.327 1.00 33.04 C ATOM 2609 O GLN A 888 20.951 -27.305 -17.997 1.00 34.11 O ATOM 2610 CB GLN A 888 22.140 -30.005 -17.412 1.00 36.17 C ATOM 2611 CG GLN A 888 22.958 -31.224 -17.849 1.00 42.25 C ATOM 2612 CD GLN A 888 22.279 -32.542 -17.524 1.00 57.83 C ATOM 2613 OE1 GLN A 888 21.081 -32.585 -17.239 1.00 66.39 O ATOM 2614 NE2 GLN A 888 23.045 -33.628 -17.561 1.00 60.92 N ATOM 2615 HE22 GLN A 888 24.052 -33.546 -17.807 1.00 0.00 H ATOM 2616 HE21 GLN A 888 22.637 -34.560 -17.344 1.00 0.00 H ATOM 2617 H GLN A 888 24.086 -29.163 -15.832 1.00 0.00 H ATOM 2618 N ARG A 889 22.340 -26.694 -16.335 1.00 29.45 N ATOM 2619 CA ARG A 889 21.614 -25.473 -16.022 1.00 26.90 C ATOM 2620 C ARG A 889 21.970 -24.383 -17.029 1.00 28.54 C ATOM 2621 O ARG A 889 23.124 -24.244 -17.404 1.00 24.97 O ATOM 2622 CB ARG A 889 21.933 -25.029 -14.602 1.00 23.33 C ATOM 2623 CG ARG A 889 21.552 -26.083 -13.561 1.00 23.55 C ATOM 2624 CD ARG A 889 21.873 -25.646 -12.139 1.00 20.84 C ATOM 2625 NE ARG A 889 21.865 -26.814 -11.265 1.00 22.29 N ATOM 2626 CZ ARG A 889 22.512 -26.900 -10.111 1.00 21.34 C ATOM 2627 NH1 ARG A 889 23.213 -25.868 -9.663 1.00 21.77 N ATOM 2628 NH2 ARG A 889 22.455 -28.026 -9.412 1.00 23.66 N ATOM 2629 HE ARG A 889 21.311 -27.640 -11.570 1.00 0.00 H ATOM 2630 HH12 ARG A 889 23.720 -25.937 -8.758 1.00 0.00 H ATOM 2631 HH11 ARG A 889 23.256 -24.989 -10.217 1.00 0.00 H ATOM 2632 HH22 ARG A 889 22.960 -28.102 -8.506 1.00 0.00 H ATOM 2633 HH21 ARG A 889 21.906 -28.833 -9.770 1.00 0.00 H ATOM 2634 H ARG A 889 23.171 -26.947 -15.763 1.00 0.00 H ATOM 2635 N PRO A 890 20.974 -23.619 -17.490 1.00 27.07 N ATOM 2636 CA PRO A 890 21.255 -22.628 -18.535 1.00 22.94 C ATOM 2637 C PRO A 890 22.124 -21.496 -18.017 1.00 25.55 C ATOM 2638 O PRO A 890 21.922 -21.059 -16.885 1.00 31.59 O ATOM 2639 CB PRO A 890 19.854 -22.125 -18.927 1.00 25.56 C ATOM 2640 CG PRO A 890 18.994 -22.445 -17.752 1.00 28.55 C ATOM 2641 CD PRO A 890 19.565 -23.620 -17.064 1.00 27.44 C ATOM 2642 N PRO A 891 23.093 -21.030 -18.822 1.00 31.11 N ATOM 2643 CA PRO A 891 23.857 -19.835 -18.459 1.00 28.72 C ATOM 2644 C PRO A 891 22.951 -18.610 -18.440 1.00 27.98 C ATOM 2645 O PRO A 891 21.884 -18.637 -19.048 1.00 24.35 O ATOM 2646 CB PRO A 891 24.905 -19.731 -19.571 1.00 30.98 C ATOM 2647 CG PRO A 891 24.304 -20.440 -20.726 1.00 35.43 C ATOM 2648 CD PRO A 891 23.469 -21.548 -20.151 1.00 37.86 C ATOM 2649 N PHE A 892 23.369 -17.540 -17.777 1.00 26.58 N ATOM 2650 CA PHE A 892 22.521 -16.350 -17.709 1.00 25.87 C ATOM 2651 C PHE A 892 22.331 -15.692 -19.086 1.00 28.58 C ATOM 2652 O PHE A 892 21.304 -15.080 -19.352 1.00 30.14 O ATOM 2653 CB PHE A 892 23.102 -15.374 -16.695 1.00 19.05 C ATOM 2654 CG PHE A 892 22.877 -15.805 -15.285 1.00 18.92 C ATOM 2655 CD1 PHE A 892 21.589 -15.803 -14.763 1.00 24.52 C ATOM 2656 CD2 PHE A 892 23.928 -16.251 -14.489 1.00 27.10 C ATOM 2657 CE1 PHE A 892 21.342 -16.218 -13.474 1.00 22.74 C ATOM 2658 CE2 PHE A 892 23.689 -16.673 -13.177 1.00 26.94 C ATOM 2659 CZ PHE A 892 22.394 -16.660 -12.676 1.00 20.76 C ATOM 2660 H PHE A 892 24.297 -17.547 -17.307 1.00 0.00 H ATOM 2661 N SER A 893 23.316 -15.845 -19.968 1.00 25.12 N ATOM 2662 CA SER A 893 23.171 -15.355 -21.333 1.00 28.04 C ATOM 2663 C SER A 893 21.953 -16.015 -21.997 1.00 31.00 C ATOM 2664 O SER A 893 21.159 -15.349 -22.664 1.00 27.11 O ATOM 2665 CB SER A 893 24.447 -15.606 -22.136 1.00 32.85 C ATOM 2666 OG SER A 893 24.698 -16.993 -22.283 1.00 34.77 O ATOM 2667 HG SER A 893 23.939 -17.416 -22.757 1.00 0.00 H ATOM 2668 H SER A 893 24.196 -16.318 -19.681 1.00 0.00 H ATOM 2669 N GLN A 894 21.775 -17.313 -21.776 1.00 26.06 N ATOM 2670 CA GLN A 894 20.650 -18.027 -22.375 1.00 26.07 C ATOM 2671 C GLN A 894 19.334 -17.625 -21.695 1.00 22.24 C ATOM 2672 O GLN A 894 18.305 -17.444 -22.374 1.00 27.99 O ATOM 2673 CB GLN A 894 20.860 -19.546 -22.290 1.00 34.92 C ATOM 2674 CG GLN A 894 19.719 -20.367 -22.877 1.00 47.84 C ATOM 2675 CD GLN A 894 19.917 -21.873 -22.713 1.00 53.24 C ATOM 2676 OE1 GLN A 894 18.950 -22.636 -22.648 1.00 56.07 O ATOM 2677 NE2 GLN A 894 21.173 -22.303 -22.655 1.00 50.75 N ATOM 2678 HE22 GLN A 894 21.958 -21.624 -22.714 1.00 0.00 H ATOM 2679 HE21 GLN A 894 21.371 -23.319 -22.551 1.00 0.00 H ATOM 2680 H GLN A 894 22.445 -17.827 -21.169 1.00 0.00 H ATOM 2681 N LEU A 895 19.370 -17.484 -20.365 1.00 22.22 N ATOM 2682 CA LEU A 895 18.204 -17.073 -19.590 1.00 21.19 C ATOM 2683 C LEU A 895 17.769 -15.674 -20.012 1.00 28.32 C ATOM 2684 O LEU A 895 16.568 -15.403 -20.194 1.00 24.20 O ATOM 2685 CB LEU A 895 18.503 -17.114 -18.080 1.00 22.49 C ATOM 2686 CG LEU A 895 18.640 -18.507 -17.452 1.00 22.99 C ATOM 2687 CD1 LEU A 895 19.286 -18.466 -16.083 1.00 20.92 C ATOM 2688 CD2 LEU A 895 17.272 -19.160 -17.347 1.00 24.12 C ATOM 2689 H LEU A 895 20.262 -17.674 -19.865 1.00 0.00 H ATOM 2690 N HIS A 896 18.739 -14.780 -20.189 1.00 22.60 N ATOM 2691 CA HIS A 896 18.376 -13.419 -20.553 1.00 22.93 C ATOM 2692 C HIS A 896 17.751 -13.379 -21.938 1.00 21.53 C ATOM 2693 O HIS A 896 16.748 -12.694 -22.147 1.00 24.38 O ATOM 2694 CB HIS A 896 19.573 -12.478 -20.494 1.00 24.64 C ATOM 2695 CG HIS A 896 19.209 -11.065 -20.810 1.00 28.05 C ATOM 2696 ND1 HIS A 896 19.223 -10.563 -22.094 1.00 31.91 N ATOM 2697 CD2 HIS A 896 18.762 -10.064 -20.017 1.00 22.26 C ATOM 2698 CE1 HIS A 896 18.820 -9.303 -22.073 1.00 27.63 C ATOM 2699 NE2 HIS A 896 18.543 -8.975 -20.823 1.00 26.66 N ATOM 2700 H HIS A 896 19.736 -15.049 -20.069 1.00 0.00 H ATOM 2701 N ARG A 897 18.318 -14.127 -22.886 1.00 23.62 N ATOM 2702 CA ARG A 897 17.760 -14.138 -24.230 1.00 27.65 C ATOM 2703 C ARG A 897 16.334 -14.667 -24.237 1.00 29.27 C ATOM 2704 O ARG A 897 15.466 -14.113 -24.905 1.00 29.33 O ATOM 2705 CB ARG A 897 18.613 -14.969 -25.189 1.00 28.32 C ATOM 2706 CG ARG A 897 17.883 -15.317 -26.486 1.00 34.96 C ATOM 2707 CD ARG A 897 18.804 -15.945 -27.520 1.00 38.62 C ATOM 2708 NE ARG A 897 19.738 -14.957 -28.046 1.00 42.54 N ATOM 2709 CZ ARG A 897 19.456 -14.119 -29.039 1.00 51.27 C ATOM 2710 NH1 ARG A 897 20.365 -13.243 -29.446 1.00 50.06 N ATOM 2711 NH2 ARG A 897 18.262 -14.149 -29.622 1.00 56.71 N ATOM 2712 HE ARG A 897 20.684 -14.904 -27.618 1.00 0.00 H ATOM 2713 HH12 ARG A 897 20.144 -12.588 -30.223 1.00 0.00 H ATOM 2714 HH11 ARG A 897 21.298 -13.212 -28.988 1.00 0.00 H ATOM 2715 HH22 ARG A 897 18.046 -13.492 -30.398 1.00 0.00 H ATOM 2716 HH21 ARG A 897 17.544 -14.830 -29.302 1.00 0.00 H ATOM 2717 H ARG A 897 19.157 -14.701 -22.665 1.00 0.00 H ATOM 2718 N PHE A 898 16.089 -15.742 -23.495 1.00 26.06 N ATOM 2719 CA PHE A 898 14.753 -16.295 -23.442 1.00 27.91 C ATOM 2720 C PHE A 898 13.761 -15.280 -22.867 1.00 24.50 C ATOM 2721 O PHE A 898 12.659 -15.136 -23.384 1.00 25.58 O ATOM 2722 CB PHE A 898 14.715 -17.592 -22.618 1.00 25.97 C ATOM 2723 CG PHE A 898 13.451 -18.391 -22.822 1.00 26.22 C ATOM 2724 CD1 PHE A 898 12.292 -18.079 -22.126 1.00 26.31 C ATOM 2725 CD2 PHE A 898 13.424 -19.455 -23.718 1.00 29.20 C ATOM 2726 CE1 PHE A 898 11.130 -18.804 -22.323 1.00 27.40 C ATOM 2727 CE2 PHE A 898 12.267 -20.180 -23.922 1.00 36.01 C ATOM 2728 CZ PHE A 898 11.116 -19.854 -23.226 1.00 29.31 C ATOM 2729 H PHE A 898 16.857 -16.186 -22.953 1.00 0.00 H ATOM 2730 N LEU A 899 14.146 -14.566 -21.813 1.00 23.43 N ATOM 2731 CA LEU A 899 13.194 -13.669 -21.142 1.00 20.71 C ATOM 2732 C LEU A 899 12.901 -12.434 -21.974 1.00 24.86 C ATOM 2733 O LEU A 899 11.761 -11.940 -22.007 1.00 25.98 O ATOM 2734 CB LEU A 899 13.725 -13.258 -19.763 1.00 21.89 C ATOM 2735 CG LEU A 899 13.702 -14.417 -18.771 1.00 27.13 C ATOM 2736 CD1 LEU A 899 14.590 -14.168 -17.562 1.00 28.25 C ATOM 2737 CD2 LEU A 899 12.255 -14.714 -18.361 1.00 24.62 C ATOM 2738 H LEU A 899 15.122 -14.642 -21.463 1.00 0.00 H ATOM 2739 N ALA A 900 13.935 -11.948 -22.652 1.00 24.61 N ATOM 2740 CA ALA A 900 13.852 -10.756 -23.486 1.00 26.96 C ATOM 2741 C ALA A 900 13.158 -11.004 -24.815 1.00 33.27 C ATOM 2742 O ALA A 900 12.546 -10.091 -25.376 1.00 41.17 O ATOM 2743 CB ALA A 900 15.261 -10.193 -23.737 1.00 27.27 C ATOM 2744 H ALA A 900 14.848 -12.442 -22.584 1.00 0.00 H ATOM 2745 N GLU A 901 13.263 -12.221 -25.342 1.00 28.94 N ATOM 2746 CA GLU A 901 12.736 -12.499 -26.671 1.00 35.38 C ATOM 2747 C GLU A 901 11.790 -13.711 -26.727 1.00 34.05 C ATOM 2748 O GLU A 901 10.581 -13.517 -26.822 1.00 36.26 O ATOM 2749 CB GLU A 901 13.896 -12.660 -27.661 1.00 37.28 C ATOM 2750 CG GLU A 901 14.799 -11.417 -27.736 1.00 33.88 C ATOM 2751 CD GLU A 901 14.079 -10.135 -28.222 1.00 40.50 C ATOM 2752 OE1 GLU A 901 13.092 -10.228 -28.990 1.00 40.70 O ATOM 2753 OE2 GLU A 901 14.524 -9.020 -27.847 1.00 34.48 O ATOM 2754 H GLU A 901 13.725 -12.980 -24.801 1.00 0.00 H ATOM 2755 N ASP A 902 12.323 -14.936 -26.659 1.00 25.30 N ATOM 2756 CA ASP A 902 11.518 -16.167 -26.787 1.00 27.06 C ATOM 2757 C ASP A 902 10.235 -16.165 -25.970 1.00 27.54 C ATOM 2758 O ASP A 902 9.209 -16.692 -26.405 1.00 31.56 O ATOM 2759 CB ASP A 902 12.326 -17.403 -26.358 1.00 35.04 C ATOM 2760 CG ASP A 902 13.508 -17.673 -27.250 1.00 34.56 C ATOM 2761 OD1 ASP A 902 14.423 -16.833 -27.284 1.00 41.47 O ATOM 2762 OD2 ASP A 902 13.532 -18.742 -27.896 1.00 44.10 O ATOM 2763 H ASP A 902 13.348 -15.025 -26.510 1.00 0.00 H ATOM 2764 N ALA A 903 10.291 -15.593 -24.775 1.00 26.15 N ATOM 2765 CA ALA A 903 9.125 -15.630 -23.890 1.00 23.32 C ATOM 2766 C ALA A 903 7.958 -14.781 -24.395 1.00 31.71 C ATOM 2767 O ALA A 903 6.857 -14.858 -23.855 1.00 35.44 O ATOM 2768 CB ALA A 903 9.516 -15.202 -22.492 1.00 24.22 C ATOM 2769 H ALA A 903 11.163 -15.118 -24.466 1.00 0.00 H ATOM 2770 N LEU A 904 8.188 -13.970 -25.422 1.00 33.46 N ATOM 2771 CA LEU A 904 7.106 -13.183 -26.005 1.00 34.90 C ATOM 2772 C LEU A 904 6.310 -14.009 -27.023 1.00 33.92 C ATOM 2773 O LEU A 904 5.308 -13.536 -27.562 1.00 41.22 O ATOM 2774 CB LEU A 904 7.660 -11.909 -26.659 1.00 29.75 C ATOM 2775 CG LEU A 904 8.422 -10.975 -25.712 1.00 30.04 C ATOM 2776 CD1 LEU A 904 9.123 -9.872 -26.502 1.00 35.36 C ATOM 2777 CD2 LEU A 904 7.458 -10.375 -24.715 1.00 33.49 C ATOM 2778 H LEU A 904 9.148 -13.895 -25.814 1.00 0.00 H ATOM 2779 N ASN A 905 6.745 -15.248 -27.269 1.00 31.39 N ATOM 2780 CA ASN A 905 6.097 -16.122 -28.253 1.00 35.27 C ATOM 2781 C ASN A 905 4.705 -16.594 -27.838 1.00 40.14 C ATOM 2782 O ASN A 905 4.458 -16.865 -26.663 1.00 41.42 O ATOM 2783 CB ASN A 905 6.976 -17.350 -28.528 1.00 34.80 C ATOM 2784 CG ASN A 905 8.167 -17.032 -29.415 1.00 41.86 C ATOM 2785 OD1 ASN A 905 8.369 -15.884 -29.832 1.00 38.24 O ATOM 2786 ND2 ASN A 905 8.964 -18.048 -29.711 1.00 37.19 N ATOM 2787 HD22 ASN A 905 8.757 -18.997 -29.339 1.00 0.00 H ATOM 2788 HD21 ASN A 905 9.797 -17.897 -30.315 1.00 0.00 H ATOM 2789 H ASN A 905 7.570 -15.605 -26.746 1.00 0.00 H ATOM 2790 N THR A 906 3.805 -16.693 -28.816 1.00 46.39 N ATOM 2791 CA THR A 906 2.493 -17.306 -28.619 1.00 57.51 C ATOM 2792 C THR A 906 2.495 -18.732 -29.168 1.00 55.56 C ATOM 2793 O THR A 906 2.107 -19.674 -28.479 1.00 56.29 O ATOM 2794 CB THR A 906 1.367 -16.496 -29.306 1.00 63.58 C ATOM 2795 OG1 THR A 906 1.198 -15.242 -28.640 1.00 64.28 O ATOM 2796 CG2 THR A 906 0.044 -17.257 -29.266 1.00 69.14 C ATOM 2797 HG1 THR A 906 0.477 -14.729 -29.084 1.00 0.00 H ATOM 2798 H THR A 906 4.046 -16.319 -29.756 1.00 0.00 H TER 2799 THR A 906 HETATM 2800 O HOH 1 21.767 -39.783 0.680 1.00 45.65 O HETATM 2801 O HOH 2 -4.674 -1.158 -14.055 1.00 60.22 O HETATM 2802 O HOH 3 24.020 -17.833 -24.477 1.00 52.19 O HETATM 2803 O HOH 4 19.704 8.566 -6.608 1.00 39.97 O HETATM 2804 O HOH 5 26.768 15.984 6.413 1.00 46.73 O HETATM 2805 O HOH 6 20.676 -7.486 7.034 1.00 53.99 O HETATM 2806 O HOH 7 9.205 -37.803 -2.981 1.00 40.88 O HETATM 2807 O HOH 8 21.471 8.541 -8.551 1.00 56.52 O HETATM 2808 O HOH 9 34.416 7.065 3.672 1.00 33.35 O HETATM 2809 O HOH 10 11.114 -23.615 -22.738 1.00 32.54 O HETATM 2810 O HOH 11 33.302 -4.452 -14.606 1.00 35.93 O HETATM 2811 O HOH 12 -1.785 -20.434 -15.932 1.00 69.80 O HETATM 2812 O HOH 13 10.732 -13.735 0.711 1.00 25.58 O HETATM 2813 O HOH 14 17.870 -34.468 5.500 1.00 39.93 O HETATM 2814 O HOH 15 30.662 3.232 -11.473 1.00 40.03 O HETATM 2815 O HOH 16 16.498 -8.202 -26.449 1.00 44.12 O HETATM 2816 O HOH 17 27.722 -11.930 -1.854 1.00 50.46 O HETATM 2817 O HOH 18 30.411 0.158 -8.029 1.00 30.32 O HETATM 2818 O HOH 19 1.120 -15.990 -10.708 1.00 26.85 O HETATM 2819 O HOH 20 21.319 -21.930 -5.203 1.00 27.10 O HETATM 2820 O HOH 21 8.383 4.988 -12.300 1.00 41.81 O HETATM 2821 O HOH 22 14.102 -24.021 11.049 1.00 45.67 O HETATM 2822 O HOH 23 9.483 -31.628 8.859 1.00 39.25 O HETATM 2823 O HOH 24 17.429 -30.724 -16.843 1.00 50.87 O HETATM 2824 O HOH 25 14.831 -20.409 2.888 1.00 24.03 O HETATM 2825 O HOH 26 16.291 -11.503 6.797 1.00 32.93 O HETATM 2826 O HOH 27 8.048 5.099 -9.429 1.00 40.46 O HETATM 2827 O HOH 28 -6.482 -10.141 -21.050 1.00 65.04 O HETATM 2828 O HOH 29 15.658 -1.734 4.294 1.00 32.75 O HETATM 2829 O HOH 30 20.834 -28.869 10.453 1.00 43.47 O HETATM 2830 O HOH 31 12.596 -13.000 -1.524 1.00 24.69 O HETATM 2831 O HOH 32 35.198 -5.000 -11.830 1.00 35.64 O HETATM 2832 O HOH 33 36.606 8.014 4.898 1.00 57.43 O HETATM 2833 O HOH 34 34.428 6.268 10.894 1.00 38.70 O HETATM 2834 O HOH 35 10.354 -25.122 8.864 1.00 32.03 O HETATM 2835 O HOH 36 29.930 6.100 9.444 1.00 30.88 O HETATM 2836 O HOH 37 16.182 -31.572 -12.051 1.00 35.80 O HETATM 2837 O HOH 38 13.915 -4.220 2.605 1.00 45.60 O HETATM 2838 O HOH 39 22.988 1.825 -7.827 1.00 36.31 O HETATM 2839 O HOH 40 32.964 -21.264 -5.779 1.00 50.24 O HETATM 2840 O HOH 41 15.394 -39.194 -5.514 1.00 33.31 O HETATM 2841 O HOH 42 23.460 -31.435 12.309 1.00 55.99 O HETATM 2842 O HOH 43 -3.909 -3.145 -18.060 1.00 41.83 O HETATM 2843 O HOH 44 27.382 -25.402 -7.204 1.00 28.91 O HETATM 2844 O HOH 45 30.258 -23.409 11.224 1.00 29.04 O HETATM 2845 O HOH 46 21.906 -13.288 -24.187 1.00 46.57 O HETATM 2846 O HOH 47 4.535 -21.975 -2.128 1.00 32.26 O HETATM 2847 O HOH 48 20.660 -32.892 -14.618 1.00 42.33 O HETATM 2848 O HOH 49 10.630 -9.718 -22.969 1.00 37.90 O HETATM 2849 O HOH 50 22.772 -5.216 -17.023 1.00 27.07 O HETATM 2850 O HOH 51 31.775 -10.490 10.420 1.00 54.23 O HETATM 2851 O HOH 52 18.105 -8.637 5.402 1.00 45.47 O HETATM 2852 O HOH 53 24.948 -4.918 2.667 1.00 27.97 O HETATM 2853 O HOH 54 24.899 -8.251 -18.466 1.00 28.48 O HETATM 2854 O HOH 55 28.573 -0.460 12.055 1.00 29.06 O HETATM 2855 O HOH 56 25.278 -13.215 -0.370 1.00 31.33 O HETATM 2856 O HOH 57 19.025 -4.761 -18.533 1.00 40.19 O HETATM 2857 O HOH 58 -6.483 -5.528 -14.745 1.00 46.58 O HETATM 2858 O HOH 59 31.024 -18.009 -13.891 1.00 55.73 O HETATM 2859 O HOH 60 37.863 0.119 -3.259 1.00 43.02 O HETATM 2860 O HOH 61 26.179 6.336 12.697 1.00 34.06 O HETATM 2861 O HOH 62 5.287 -16.977 -23.281 1.00 46.95 O HETATM 2862 O HOH 63 0.789 -15.305 -18.395 1.00 34.29 O HETATM 2863 O HOH 64 3.579 0.233 -10.593 1.00 48.57 O HETATM 2864 O HOH 65 2.444 -21.830 0.874 1.00 45.62 O HETATM 2865 O HOH 66 21.931 -4.472 4.971 1.00 37.31 O HETATM 2866 O HOH 67 16.358 -25.724 -2.132 1.00 30.62 O HETATM 2867 O HOH 68 15.473 -15.583 -29.456 1.00 40.06 O HETATM 2868 O HOH 69 24.902 -19.494 -5.227 1.00 23.75 O HETATM 2869 O HOH 70 14.664 -30.102 -13.938 1.00 35.38 O HETATM 2870 O HOH 71 20.356 -1.721 5.379 1.00 38.04 O HETATM 2871 O HOH 72 38.314 -1.902 12.406 1.00 35.33 O HETATM 2872 O HOH 73 26.935 -1.418 -10.722 1.00 28.01 O HETATM 2873 O HOH 74 -0.251 -22.811 -12.943 1.00 39.55 O HETATM 2874 O HOH 75 28.143 5.355 14.556 1.00 46.10 O HETATM 2875 O HOH 76 23.452 6.483 13.026 1.00 34.61 O HETATM 2876 O HOH 77 8.346 -35.255 4.697 1.00 33.99 O HETATM 2877 O HOH 78 8.665 -2.114 -2.255 1.00 39.79 O HETATM 2878 O HOH 79 28.022 -14.080 -18.321 1.00 26.30 O HETATM 2879 O HOH 80 17.505 -1.498 -16.436 1.00 39.43 O HETATM 2880 O HOH 81 18.816 -16.762 -1.752 1.00 24.00 O HETATM 2881 O HOH 82 21.454 1.870 -5.817 1.00 38.30 O HETATM 2882 O HOH 83 14.354 5.692 -7.785 1.00 35.99 O HETATM 2883 O HOH 84 28.105 -7.022 1.103 1.00 44.65 O HETATM 2884 O HOH 85 3.771 -24.052 6.080 1.00 30.74 O HETATM 2885 O HOH 86 -0.851 -1.759 -3.897 1.00 47.42 O HETATM 2886 O HOH 87 1.339 -22.789 -8.816 1.00 33.20 O HETATM 2887 O HOH 88 8.215 -11.104 4.405 1.00 54.52 O HETATM 2888 O HOH 89 21.946 -24.843 -21.743 1.00 44.58 O HETATM 2889 O HOH 90 11.495 -33.836 1.796 1.00 39.71 O HETATM 2890 O HOH 91 23.372 -2.471 20.180 1.00 57.08 O HETATM 2891 O HOH 92 -7.705 -0.088 -23.376 1.00 52.94 O HETATM 2892 O HOH 93 27.578 -15.676 -10.549 1.00 38.05 O HETATM 2893 O HOH 94 8.808 1.288 -10.965 1.00 35.62 O HETATM 2894 O HOH 95 16.126 -21.586 11.395 1.00 32.54 O HETATM 2895 O HOH 96 13.800 2.580 -0.875 1.00 31.68 O HETATM 2896 O HOH 97 20.967 -23.947 16.837 1.00 40.47 O HETATM 2897 O HOH 98 17.611 -18.718 -24.768 1.00 46.91 O HETATM 2898 O HOH 99 30.474 2.894 18.210 1.00 38.87 O HETATM 2899 O HOH 100 3.371 -27.179 -12.228 1.00 31.68 O HETATM 2900 O HOH 101 24.203 2.343 -13.563 1.00 51.26 O HETATM 2901 O HOH 102 35.354 -7.980 10.770 1.00 31.68 O HETATM 2902 O HOH 103 7.765 -8.223 1.453 1.00 41.89 O HETATM 2903 O HOH 104 24.338 -12.437 -23.585 1.00 46.49 O HETATM 2904 O HOH 105 23.045 -20.075 11.478 1.00 30.30 O HETATM 2905 O HOH 106 13.007 -7.344 -25.014 1.00 41.13 O HETATM 2906 O HOH 107 39.892 -3.173 9.008 1.00 35.43 O HETATM 2907 O HOH 108 19.680 4.040 13.830 1.00 47.99 O HETATM 2908 O HOH 109 25.931 -18.654 15.922 1.00 39.26 O HETATM 2909 O HOH 110 18.871 16.999 7.121 1.00 38.02 O HETATM 2910 O HOH 111 23.986 -17.211 1.323 1.00 37.02 O HETATM 2911 O HOH 112 13.059 -0.186 -17.174 1.00 39.95 O HETATM 2912 O HOH 113 13.376 -21.173 5.339 1.00 27.37 O HETATM 2913 O HOH 114 15.839 -38.263 -10.024 1.00 57.70 O HETATM 2914 O HOH 115 8.925 -7.740 -22.046 1.00 26.88 O HETATM 2915 O HOH 116 24.073 -25.448 -19.773 1.00 58.01 O HETATM 2916 O HOH 117 17.345 -6.699 -19.659 1.00 33.85 O HETATM 2917 O HOH 118 32.126 -7.238 4.334 1.00 30.43 O HETATM 2918 O HOH 119 10.923 -21.497 7.463 1.00 42.34 O HETATM 2919 O HOH 120 19.688 -11.157 -31.240 1.00 43.03 O HETATM 2920 O HOH 121 37.744 0.144 1.955 1.00 28.50 O HETATM 2921 O HOH 122 25.958 -8.506 1.938 1.00 45.96 O HETATM 2922 O HOH 123 6.069 -26.162 -23.668 1.00 45.48 O HETATM 2923 O HOH 124 -0.371 -9.361 -19.248 1.00 37.43 O HETATM 2924 O HOH 125 25.277 -30.334 -9.233 1.00 42.52 O HETATM 2925 O HOH 126 6.944 -24.019 6.384 1.00 41.76 O HETATM 2926 O HOH 127 15.328 -24.464 -4.068 1.00 23.57 O HETATM 2927 O HOH 128 12.102 -26.268 -7.629 1.00 23.83 O HETATM 2928 O HOH 129 23.363 -7.429 7.283 1.00 37.34 O HETATM 2929 O HOH 130 7.044 -29.978 -12.464 1.00 26.31 O HETATM 2930 O HOH 131 14.400 -5.819 10.752 1.00 45.19 O HETATM 2931 O HOH 132 28.582 -26.883 -9.047 1.00 49.45 O HETATM 2932 O HOH 133 28.897 -22.527 8.254 1.00 33.01 O HETATM 2933 O HOH 134 8.395 -14.338 -2.755 1.00 40.33 O HETATM 2934 O HOH 135 31.804 -1.905 -16.022 1.00 56.17 O HETATM 2935 O HOH 136 21.686 -7.890 -23.587 1.00 50.25 O HETATM 2936 O HOH 137 4.322 -21.978 -23.576 1.00 37.66 O HETATM 2937 O HOH 138 12.355 -28.513 -18.323 1.00 38.35 O HETATM 2938 O HOH 139 24.959 -5.655 -18.924 1.00 43.67 O HETATM 2939 O HOH 140 28.348 -3.593 -17.139 1.00 33.61 O HETATM 2940 O HOH 141 17.793 -33.100 -13.236 1.00 31.89 O HETATM 2941 O HOH 142 26.003 -16.313 8.185 1.00 39.01 O HETATM 2942 O HOH 143 -0.587 -17.465 -17.645 1.00 48.04 O HETATM 2943 O HOH 144 32.716 -14.680 -5.624 1.00 25.85 O HETATM 2944 O HOH 145 12.123 -17.175 11.283 1.00 43.28 O HETATM 2945 O HOH 146 22.218 -16.949 -5.095 1.00 21.83 O HETATM 2946 O HOH 147 8.422 -19.163 -25.105 1.00 40.51 O HETATM 2947 O HOH 148 20.979 -43.539 -4.887 1.00 52.78 O HETATM 2948 O HOH 149 31.544 -18.985 -3.885 1.00 38.29 O HETATM 2949 O HOH 150 2.662 -3.411 -16.698 1.00 30.55 O HETATM 2950 O HOH 151 22.386 -22.796 9.314 1.00 25.83 O HETATM 2951 O HOH 152 5.000 -24.381 -5.784 1.00 30.03 O HETATM 2952 O HOH 153 20.936 -18.700 -2.304 1.00 34.39 O HETATM 2953 O HOH 154 37.969 -2.305 -7.943 1.00 47.62 O HETATM 2954 O HOH 155 10.878 -36.444 -9.411 1.00 48.61 O HETATM 2955 O HOH 156 16.322 -32.872 6.975 1.00 33.67 O HETATM 2956 O HOH 157 5.896 -23.832 -3.293 1.00 25.37 O HETATM 2957 O HOH 158 9.899 -14.053 7.002 1.00 29.51 O HETATM 2958 O HOH 159 33.943 -20.591 -2.012 1.00 57.51 O HETATM 2959 O HOH 160 3.806 -19.113 1.667 1.00 35.75 O HETATM 2960 O HOH 161 26.678 -10.791 1.836 1.00 51.82 O HETATM 2961 O HOH 162 -2.613 -0.837 -18.408 1.00 54.04 O HETATM 2962 O HOH 163 26.098 -17.788 -16.680 1.00 29.31 O HETATM 2963 O HOH 164 20.115 -11.433 -24.775 1.00 46.35 O HETATM 2964 O HOH 165 31.502 -20.395 -10.071 1.00 32.07 O HETATM 2965 O HOH 166 15.550 -28.409 -1.688 1.00 36.00 O HETATM 2966 O HOH 167 27.935 -2.257 14.253 1.00 40.33 O HETATM 2967 O HOH 168 25.392 -4.058 6.956 1.00 25.25 O HETATM 2968 O HOH 169 29.345 -22.860 -11.918 1.00 31.11 O HETATM 2969 O HOH 170 34.064 8.929 -4.161 1.00 43.71 O HETATM 2970 O HOH 171 13.860 2.032 8.058 1.00 51.47 O HETATM 2971 O HOH 172 15.591 4.730 -10.984 1.00 52.88 O HETATM 2972 O HOH 173 12.623 -6.074 8.434 1.00 38.50 O HETATM 2973 O HOH 174 3.305 -5.128 -0.256 1.00 44.87 O HETATM 2974 O HOH 175 0.448 -15.918 -7.944 1.00 28.18 O HETATM 2975 O HOH 176 24.844 -6.245 14.357 1.00 48.73 O HETATM 2976 O HOH 177 26.721 -12.211 10.531 1.00 55.79 O HETATM 2977 O HOH 178 36.465 -7.005 -10.624 1.00 44.10 O HETATM 2978 O HOH 179 -2.318 -22.334 -17.829 1.00 60.66 O HETATM 2979 O HOH 180 -3.987 -9.067 -4.064 1.00 51.52 O HETATM 2980 O HOH 181 -0.686 -20.385 -29.567 1.00 63.03 O HETATM 2981 O HOH 182 23.127 -2.203 5.555 1.00 26.92 O HETATM 2982 O HOH 183 -7.554 -4.964 -24.279 1.00 62.05 O HETATM 2983 O HOH 184 34.539 -5.747 17.543 1.00 47.51 O HETATM 2984 O HOH 185 27.863 -7.794 -1.375 1.00 33.01 O HETATM 2985 O HOH 186 23.318 0.405 16.341 1.00 36.87 O HETATM 2986 O HOH 187 26.248 -16.290 -18.895 1.00 31.71 O HETATM 2987 O HOH 188 -2.229 -11.090 -18.162 1.00 52.59 O HETATM 2988 O HOH 189 17.878 -28.495 -3.298 1.00 38.87 O HETATM 2989 O HOH 190 4.987 -20.182 3.931 1.00 50.08 O HETATM 2990 O HOH 191 22.935 -25.274 8.512 1.00 28.18 O HETATM 2991 O HOH 192 -2.070 -11.854 -9.477 1.00 28.56 O HETATM 2992 O HOH 193 16.239 -3.233 8.509 1.00 45.87 O HETATM 2993 O HOH 194 14.184 -25.270 -6.453 1.00 35.48 O HETATM 2994 O HOH 195 32.606 -18.043 -10.666 1.00 41.27 O HETATM 2995 O HOH 196 6.595 -19.292 -22.802 1.00 39.14 O HETATM 2996 O HOH 197 30.597 -10.404 1.144 1.00 40.59 O HETATM 2997 O HOH 198 17.414 -3.231 5.972 1.00 47.67 O HETATM 2998 O HOH 199 31.757 2.152 -9.235 1.00 49.51 O HETATM 2999 O HOH 200 -5.168 -3.163 -15.702 1.00 68.99 O HETATM 3000 O HOH 201 25.118 -6.278 5.257 1.00 42.41 O HETATM 3001 O HOH 202 -1.575 -27.512 1.393 1.00 37.57 O HETATM 3002 O HOH 203 2.388 -25.739 -4.964 1.00 51.81 O HETATM 3003 O HOH 204 -2.375 -22.355 -14.187 1.00 38.59 O HETATM 3004 O HOH 205 9.382 -15.433 -0.763 1.00 42.65 O HETATM 3005 O HOH 206 -6.551 -4.263 -5.373 1.00 48.96 O HETATM 3006 O HOH 207 11.319 -2.173 -21.424 1.00 45.80 O HETATM 3007 O HOH 208 3.140 -22.058 -7.512 1.00 38.51 O HETATM 3008 O HOH 209 27.560 -8.934 -18.907 1.00 40.42 O HETATM 3009 O HOH 210 33.176 10.227 -6.554 1.00 65.28 O HETATM 3010 O HOH 211 22.496 -19.640 -3.957 1.00 30.15 O HETATM 3011 O HOH 212 27.708 8.358 11.931 1.00 51.01 O HETATM 3012 O HOH 213 22.893 -3.935 -19.453 1.00 42.24 O HETATM 3013 O HOH 214 30.318 -15.603 -18.131 1.00 41.73 O HETATM 3014 O HOH 215 42.809 -5.790 13.545 1.00 41.78 O HETATM 3015 O HOH 216 29.680 -25.477 -11.458 1.00 40.44 O HETATM 3016 O HOH 217 27.839 -1.400 -18.051 1.00 44.48 O HETATM 3017 O HOH 218 28.720 -22.725 -14.177 1.00 45.63 O HETATM 3018 O HOH 219 22.571 -18.277 13.624 1.00 50.50 O HETATM 3019 O HOH 220 12.229 -34.700 5.896 1.00 46.99 O HETATM 3020 O HOH 221 31.386 -16.922 3.509 1.00 39.03 O HETATM 3021 O HOH 222 2.491 -15.730 -23.519 1.00 44.94 O HETATM 3022 O HOH 223 6.220 1.825 -10.748 1.00 36.26 O HETATM 3023 O HOH 224 14.355 -1.938 1.267 1.00 48.14 O HETATM 3024 O HOH 225 -0.085 -19.252 -19.957 1.00 49.87 O HETATM 3025 O HOH 226 21.310 -19.018 15.909 1.00 52.12 O HETATM 3026 O HOH 227 8.686 -12.927 2.173 1.00 33.93 O HETATM 3027 O HOH 228 38.563 6.412 4.706 1.00 46.56 O HETATM 3028 O HOH 229 40.137 -3.024 11.489 1.00 38.86 O HETATM 3029 O HOH 230 -9.074 -10.412 -6.530 1.00 49.56 O HETATM 3030 O HOH 231 -0.899 -3.557 -1.411 1.00 44.82 O HETATM 3031 O HOH 232 15.919 -6.279 -24.871 1.00 42.43 O HETATM 3032 O HOH 233 16.776 -2.720 -19.152 1.00 48.01 O HETATM 3033 O HOH 234 30.313 -7.556 2.338 1.00 37.99 O HETATM 3034 O HOH 235 34.505 8.373 -7.504 1.00 66.11 O HETATM 3035 O HOH 236 40.163 -5.868 12.803 1.00 42.50 O HETATM 3036 O HOH 237 22.899 -41.630 -0.367 1.00 51.62 O HETATM 3037 O HOH 238 28.289 -12.986 -20.768 1.00 44.48 O HETATM 3038 O HOH 239 28.238 -10.524 -20.952 1.00 38.89 O HETATM 3039 O HOH 240 38.360 1.002 -0.697 1.00 41.94 O HETATM 3040 O HOH 241 11.035 -35.316 3.762 1.00 42.01 O HETATM 3041 O HOH 242 2.403 -19.728 5.429 1.00 34.26 O HETATM 3042 O HOH 243 38.158 -4.643 -9.699 1.00 43.25 O HETATM 3043 O HOH 244 10.384 -34.132 8.233 1.00 45.42 O HETATM 3044 O HOH 245 26.797 -20.754 -15.714 1.00 48.70 O HETATM 3045 O HOH 246 -0.823 -20.656 -7.372 1.00 42.14 O HETATM 3046 O HOH 247 1.692 -25.496 -1.846 1.00 43.38 O HETATM 3047 O HOH 248 9.100 -21.542 -26.023 1.00 45.76 O HETATM 3048 O HOH 249 0.874 -15.414 -21.156 1.00 41.08 O HETATM 3049 O HOH 250 37.526 3.557 -1.291 1.00 46.41 O HETATM 3050 O HOH 251 -0.516 -18.148 -6.756 1.00 47.90 O HETATM 3051 O HOH 252 2.416 -21.743 -4.032 1.00 30.98 O HETATM 3052 C4 D A 6 22.114 -1.624 -0.768 1.00 0.00 C HETATM 3053 C5 D A 6 20.772 -2.117 -0.213 1.00 0.03 C HETATM 3054 N6 D A 6 20.666 -1.707 1.212 1.00 -0.27 N HETATM 3055 C1 D A 6 21.606 -2.437 2.058 1.00 0.03 C HETATM 3056 C2 D A 6 22.991 -1.922 1.638 1.00 0.00 C HETATM 3057 C3 D A 6 23.275 -2.079 0.126 1.00 0.13 C HETATM 3058 C10 D A 6 23.603 -3.544 -0.186 1.00 0.23 C HETATM 3059 N9 D A 6 24.956 -3.638 -0.579 1.00 -0.23 N HETATM 3060 C8 D A 6 25.639 -2.318 -0.630 1.00 0.12 C HETATM 3061 N7 D A 6 24.528 -1.366 -0.312 1.00 -0.28 N HETATM 3062 C12 D A 6 24.804 0.054 -0.277 1.00 0.04 C HETATM 3063 C13 D A 6 25.986 0.554 -0.809 1.00 -0.04 C HETATM 3064 C14 D A 6 26.231 1.926 -0.798 1.00 -0.07 C HETATM 3065 C15 D A 6 25.308 2.811 -0.245 1.00 -0.08 C HETATM 3066 C16 D A 6 24.137 2.318 0.291 1.00 -0.07 C HETATM 3067 C17 D A 6 23.878 0.945 0.270 1.00 -0.04 C HETATM 3068 H9 D A 6 22.949 0.568 0.682 1.00 0.05 H HETATM 3069 H18 D A 6 23.415 2.998 0.730 1.00 0.06 H HETATM 3070 H8 D A 6 25.508 3.876 -0.236 1.00 0.05 H HETATM 3071 H17 D A 6 27.151 2.309 -1.225 1.00 0.06 H HETATM 3072 H7 D A 6 26.718 -0.123 -1.233 1.00 0.05 H HETATM 3073 H5 D A 6 26.442 -2.257 0.119 1.00 0.08 H HETATM 3074 H6 D A 6 26.055 -2.124 -1.630 1.00 0.08 H HETATM 3075 C29 D A 6 25.605 -4.866 -1.050 1.00 0.12 C HETATM 3076 C30 D A 6 25.289 -5.079 -2.532 1.00 0.20 C HETATM 3077 O31 D A 6 24.472 -4.410 -3.130 1.00 -0.39 O HETATM 3078 N32 D A 6 25.955 -6.073 -3.174 1.00 -0.29 N HETATM 3079 C33 D A 6 25.640 -6.264 -4.591 1.00 0.02 C HETATM 3080 H24 D A 6 26.242 -7.093 -4.992 1.00 0.05 H HETATM 3081 H25 D A 6 25.870 -5.342 -5.145 1.00 0.05 H HETATM 3082 H26 D A 6 24.571 -6.500 -4.700 1.00 0.05 H HETATM 3083 H23 D A 6 26.626 -6.645 -2.703 1.00 0.18 H HETATM 3084 H21 D A 6 25.232 -5.723 -0.470 1.00 0.08 H HETATM 3085 H22 D A 6 26.693 -4.779 -0.917 1.00 0.08 H HETATM 3086 O11 D A 6 22.864 -4.505 -0.138 1.00 -0.34 O HETATM 3087 H15 D A 6 23.755 -2.483 2.196 1.00 0.03 H HETATM 3088 H16 D A 6 23.059 -0.855 1.896 1.00 0.03 H HETATM 3089 H13 D A 6 21.418 -2.223 3.120 1.00 0.05 H HETATM 3090 H14 D A 6 21.525 -3.520 1.883 1.00 0.05 H HETATM 3091 C18 D A 6 19.748 -0.792 1.740 1.00 0.21 C HETATM 3092 C20 D A 6 18.859 -0.005 0.874 1.00 0.05 C HETATM 3093 C21 D A 6 19.363 0.744 -0.154 1.00 -0.03 C HETATM 3094 C22 D A 6 18.462 1.491 -0.911 1.00 0.04 C HETATM 3095 C26 D A 6 18.609 2.335 -2.071 1.00 0.11 C HETATM 3096 N27 D A 6 17.404 2.798 -2.446 1.00 -0.24 N HETATM 3097 N28 D A 6 16.489 2.296 -1.568 1.00 -0.33 N HETATM 3098 C23 D A 6 17.088 1.477 -0.604 1.00 -0.01 C HETATM 3099 C24 D A 6 16.557 0.719 0.468 1.00 -0.05 C HETATM 3100 C25 D A 6 17.469 -0.031 1.197 1.00 -0.04 C HETATM 3101 H19 D A 6 17.122 -0.644 2.021 1.00 0.07 H HETATM 3102 H11 D A 6 15.499 0.724 0.705 1.00 0.06 H HETATM 3103 H20 D A 6 17.208 3.416 -3.246 1.00 0.29 H HETATM 3104 H12 D A 6 19.551 2.562 -2.567 1.00 0.14 H HETATM 3105 H10 D A 6 20.425 0.756 -0.372 1.00 0.07 H HETATM 3106 O19 D A 6 19.621 -0.673 2.963 1.00 -0.38 O HETATM 3107 H3 D A 6 20.721 -3.213 -0.287 1.00 0.05 H HETATM 3108 H4 D A 6 19.947 -1.671 -0.789 1.00 0.05 H HETATM 3109 H1 D A 6 22.103 -0.525 -0.813 1.00 0.03 H HETATM 3110 H2 D A 6 22.257 -2.031 -1.780 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 293 294 299 300 301 CONECT 300 293 CONECT 301 293 CONECT 716 715 777 CONECT 777 716 776 CONECT 3052 3053 3057 3109 3110 CONECT 3053 3052 3054 3107 3108 CONECT 3054 3053 3055 3091 CONECT 3055 3054 3056 3089 3090 CONECT 3056 3055 3057 3087 3088 CONECT 3057 3052 3056 3058 3061 CONECT 3058 3057 3059 3086 CONECT 3059 3058 3060 3075 CONECT 3060 3059 3061 3073 3074 CONECT 3061 3057 3060 3062 CONECT 3062 3061 3063 3067 CONECT 3063 3062 3064 3072 CONECT 3064 3063 3065 3071 CONECT 3065 3064 3066 3070 CONECT 3066 3065 3067 3069 CONECT 3067 3062 3066 3068 CONECT 3068 3067 CONECT 3069 3066 CONECT 3070 3065 CONECT 3071 3064 CONECT 3072 3063 CONECT 3073 3060 CONECT 3074 3060 CONECT 3075 3059 3076 3084 3085 CONECT 3076 3075 3077 3078 CONECT 3077 3076 CONECT 3078 3076 3079 3083 CONECT 3079 3078 3080 3081 3082 CONECT 3080 3079 CONECT 3081 3079 CONECT 3082 3079 CONECT 3083 3078 CONECT 3084 3075 CONECT 3085 3075 CONECT 3086 3058 CONECT 3087 3056 CONECT 3088 3056 CONECT 3089 3055 CONECT 3090 3055 CONECT 3091 3054 3092 3106 CONECT 3092 3091 3093 3100 CONECT 3093 3092 3094 3105 CONECT 3094 3093 3095 3098 CONECT 3095 3094 3096 3104 CONECT 3096 3095 3097 3103 CONECT 3097 3096 3098 CONECT 3098 3094 3097 3099 CONECT 3099 3098 3100 3102 CONECT 3100 3092 3099 3101 CONECT 3101 3100 CONECT 3102 3099 CONECT 3103 3096 CONECT 3104 3095 CONECT 3105 3093 CONECT 3106 3091 CONECT 3107 3053 CONECT 3108 3053 CONECT 3109 3052 CONECT 3110 3052 MASTER 0 0 0 0 0 0 0 0 3108 2 68 23 END
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Structure:
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Related entries of code: 6fil
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3zos
RCSB PDB
PDBbind
315aa, >3ZOS_1|Chains... at 100%
4bkj
RCSB PDB
PDBbind
315aa, >4BKJ_1|Chains... at 100%
4ckr
RCSB PDB
PDBbind
315aa, >4CKR_1|Chain... at 100%
5bvk
RCSB PDB
PDBbind
324aa, >5BVK_1|Chain... at 96%
5bvn
RCSB PDB
PDBbind
324aa, >5BVN_1|Chain... at 96%
5bvo
RCSB PDB
PDBbind
324aa, >5BVO_1|Chain... at 96%
5bvw
RCSB PDB
PDBbind
324aa, >5BVW_1|Chain... at 96%
5fdp
RCSB PDB
PDBbind
337aa, >5FDP_1|Chain... *
6few
RCSB PDB
PDBbind
321aa, >6FEW_1|Chain... at 95%
6fex
RCSB PDB
PDBbind
321aa, >6FEX_1|Chain... at 95%
6gwr
RCSB PDB
PDBbind
315aa, >6GWR_1|Chains... at 100%
6hp9
RCSB PDB
PDBbind
315aa, >6HP9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6few
RCSB PDB
PDBbind
D6W
Entry Information
PDB ID
6fil
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DDR1 kinase
Ligand Name
D6W
EC.Number
E.C.-.-.-.-
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
IC50=1.41uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 14: pp. 37-49
Ligand Properties
Formula
C
2
4
H
2
6
N
6
O
3
Molecular Weight
446.502
Exact Mass
446.207
No. of atoms
59
No. of bonds
63
Polar Surface Area
101.64
LOGP Value
1.92 (
Computed with XLOGP3
)
1.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc2c(c1)c[nH]n2)c1ccccc1
InChI String
InChI=1S/C24H26N6O3/c1-25-21(31)15-29-16-30(19-5-3-2-4-6-19)24(23(29)33)9-11-28(12-10-24)22(32)17-7-8-20-18(13-17)14-26-27-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,31)(H,26,27)
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):
Q08345
Entrez Gene ID
NCBI Entrez Gene ID:
780
ASD
Information of known allosteric effects of PDB entries
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