Browse entries in the PDBbind-CN Database
HEADER 6BHV_COMPLEX COMPND 6BHV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 16 SER LYS LEU PRO LYS PRO VAL GLN ASP LEU ILE LYS MET SEQRES 2 A 16 ILE PHE GLY SEQRES 1 A 222 PRO ILE ASP VAL ASN TYR GLU LYS LEU LYS THR ASP ILE SEQRES 2 A 222 LYS VAL VAL ASP ARG ASP SER GLU GLU ALA GLU ILE ILE SEQRES 3 A 222 ARG LYS TYR VAL LYS ASN THR HIS ALA THR THR HIS ASN SEQRES 4 A 222 ALA TYR ASP LEU GLU VAL ILE ASP ILE PHE LYS ILE GLU SEQRES 5 A 222 ARG GLU GLY GLU CYS GLN ARG TYR LYS PRO PHE LYS GLN SEQRES 6 A 222 LEU HIS ASN ARG ARG LEU LEU TRP HIS GLY SER ARG THR SEQRES 7 A 222 THR ASN PHE ALA GLY ILE LEU SER GLN GLY LEU ARG ILE SEQRES 8 A 222 ALA PRO PRO GLU ALA PRO VAL THR GLY TYR MET PHE GLY SEQRES 9 A 222 LYS GLY ILE TYR PHE ALA ASP MET VAL SER LYS SER ALA SEQRES 10 A 222 ASN TYR CYS HIS THR SER GLN GLY ASP PRO ILE GLY LEU SEQRES 11 A 222 ILE LEU LEU GLY GLU VAL ALA LEU GLY ASN MET TYR GLU SEQRES 12 A 222 LEU LYS HIS ALA SER HIS ILE SER LYS LEU PRO LYS GLY SEQRES 13 A 222 LYS HIS SER VAL LYS GLY LEU GLY LYS THR THR PRO ASP SEQRES 14 A 222 PRO SER ALA ASN ILE SER LEU ASP GLY VAL ASP VAL PRO SEQRES 15 A 222 LEU GLY THR GLY ILE SER SER GLY VAL ASN ASP THR SER SEQRES 16 A 222 LEU LEU TYR ASN GLU TYR ILE VAL TYR ASP ILE ALA GLN SEQRES 17 A 222 VAL ASN LEU LYS TYR LEU LEU LYS LEU LYS PHE ASN PHE SEQRES 18 A 222 LYS HET DQV A 260 70 ATOM 1 N SER A 765 -24.790 54.781 24.078 1.00126.80 N ATOM 2 CA SER A 765 -24.278 54.179 25.347 1.00120.72 C ATOM 3 C SER A 765 -23.092 54.974 25.937 1.00119.90 C ATOM 4 O SER A 765 -22.093 55.228 25.268 1.00117.42 O ATOM 5 CB SER A 765 -23.880 52.720 25.114 1.00116.81 C ATOM 6 OG SER A 765 -23.407 52.104 26.310 1.00111.99 O ATOM 7 HG SER A 765 -24.120 52.127 26.996 1.00 0.00 H ATOM 8 HN3 SER A 765 -24.028 54.796 23.371 1.00 0.00 H ATOM 9 HN2 SER A 765 -25.113 55.752 24.262 1.00 0.00 H ATOM 10 HN1 SER A 765 -25.584 54.212 23.722 1.00 0.00 H ATOM 11 N LYS A 766 -23.243 55.355 27.200 1.00120.43 N ATOM 12 CA LYS A 766 -22.203 56.002 28.025 1.00119.81 C ATOM 13 C LYS A 766 -20.946 55.159 28.332 1.00114.96 C ATOM 14 O LYS A 766 -19.893 55.716 28.642 1.00115.56 O ATOM 15 CB LYS A 766 -22.812 56.444 29.383 1.00120.46 C ATOM 16 CG LYS A 766 -23.588 55.346 30.119 1.00117.10 C ATOM 17 CD LYS A 766 -23.265 55.175 31.601 1.00114.93 C ATOM 18 CE LYS A 766 -24.089 54.030 32.207 1.00111.87 C ATOM 19 NZ LYS A 766 -23.508 53.385 33.425 1.00107.52 N ATOM 20 HZ1 LYS A 766 -22.577 52.983 33.193 1.00 0.00 H ATOM 21 HZ2 LYS A 766 -23.402 54.097 34.176 1.00 0.00 H ATOM 22 HZ3 LYS A 766 -24.142 52.628 33.751 1.00 0.00 H ATOM 23 H LYS A 766 -24.168 55.184 27.644 1.00 0.00 H ATOM 24 N LEU A 767 -21.058 53.836 28.259 1.00108.99 N ATOM 25 CA LEU A 767 -20.021 52.931 28.761 1.00105.14 C ATOM 26 C LEU A 767 -18.815 52.864 27.819 1.00103.50 C ATOM 27 O LEU A 767 -19.001 52.988 26.616 1.00102.63 O ATOM 28 CB LEU A 767 -20.610 51.521 28.932 1.00103.23 C ATOM 29 CG LEU A 767 -21.753 51.347 29.929 1.00104.48 C ATOM 30 CD1 LEU A 767 -22.492 50.052 29.624 1.00103.54 C ATOM 31 CD2 LEU A 767 -21.235 51.400 31.367 1.00103.47 C ATOM 32 H LEU A 767 -21.913 53.429 27.830 1.00 0.00 H ATOM 33 N PRO A 768 -17.589 52.634 28.356 1.00101.23 N ATOM 34 CA PRO A 768 -16.409 52.401 27.497 1.00100.89 C ATOM 35 C PRO A 768 -16.589 51.204 26.546 1.00 99.32 C ATOM 36 O PRO A 768 -17.322 50.265 26.873 1.00 94.83 O ATOM 37 CB PRO A 768 -15.284 52.100 28.512 1.00 98.13 C ATOM 38 CG PRO A 768 -15.734 52.701 29.798 1.00 97.12 C ATOM 39 CD PRO A 768 -17.226 52.615 29.795 1.00 97.87 C ATOM 40 N LYS A 769 -15.924 51.247 25.388 1.00101.34 N ATOM 41 CA LYS A 769 -16.155 50.244 24.329 1.00102.25 C ATOM 42 C LYS A 769 -15.794 48.796 24.727 1.00 96.53 C ATOM 43 O LYS A 769 -16.513 47.873 24.340 1.00 96.13 O ATOM 44 CB LYS A 769 -15.510 50.645 22.991 1.00106.76 C ATOM 45 CG LYS A 769 -14.029 50.355 22.854 1.00107.39 C ATOM 46 CD LYS A 769 -13.528 50.525 21.434 1.00113.47 C ATOM 47 CE LYS A 769 -12.001 50.736 21.350 1.00114.32 C ATOM 48 NZ LYS A 769 -11.193 49.950 22.339 1.00108.91 N ATOM 49 HZ1 LYS A 769 -11.477 50.214 23.304 1.00 0.00 H ATOM 50 HZ2 LYS A 769 -11.361 48.934 22.193 1.00 0.00 H ATOM 51 HZ3 LYS A 769 -10.183 50.159 22.204 1.00 0.00 H ATOM 52 H LYS A 769 -15.228 52.004 25.229 1.00 0.00 H ATOM 53 N PRO A 770 -14.698 48.594 25.504 1.00 93.40 N ATOM 54 CA PRO A 770 -14.413 47.240 26.019 1.00 88.94 C ATOM 55 C PRO A 770 -15.539 46.662 26.897 1.00 86.09 C ATOM 56 O PRO A 770 -15.859 45.476 26.782 1.00 84.99 O ATOM 57 CB PRO A 770 -13.127 47.439 26.821 1.00 87.22 C ATOM 58 CG PRO A 770 -12.472 48.608 26.172 1.00 91.06 C ATOM 59 CD PRO A 770 -13.614 49.531 25.876 1.00 93.80 C ATOM 60 N VAL A 771 -16.146 47.505 27.732 1.00 86.27 N ATOM 61 CA VAL A 771 -17.321 47.116 28.525 1.00 84.86 C ATOM 62 C VAL A 771 -18.525 46.789 27.631 1.00 85.71 C ATOM 63 O VAL A 771 -19.241 45.826 27.895 1.00 83.27 O ATOM 64 CB VAL A 771 -17.698 48.212 29.563 1.00 86.43 C ATOM 65 CG1 VAL A 771 -19.028 47.905 30.250 1.00 85.58 C ATOM 66 CG2 VAL A 771 -16.576 48.374 30.582 1.00 84.08 C ATOM 67 H VAL A 771 -15.775 48.472 27.826 1.00 0.00 H ATOM 68 N GLN A 772 -18.742 47.589 26.583 1.00 89.85 N ATOM 69 CA GLN A 772 -19.801 47.323 25.599 1.00 91.29 C ATOM 70 C GLN A 772 -19.561 46.002 24.872 1.00 90.15 C ATOM 71 O GLN A 772 -20.486 45.200 24.722 1.00 88.68 O ATOM 72 CB GLN A 772 -19.904 48.451 24.569 1.00 94.23 C ATOM 73 CG GLN A 772 -20.391 49.782 25.134 1.00 96.40 C ATOM 74 CD GLN A 772 -20.524 50.870 24.082 1.00 99.63 C ATOM 75 OE1 GLN A 772 -20.630 50.596 22.888 1.00 99.65 O ATOM 76 NE2 GLN A 772 -20.520 52.110 24.528 1.00101.69 N ATOM 77 HE22 GLN A 772 -20.428 52.296 25.547 1.00 0.00 H ATOM 78 HE21 GLN A 772 -20.609 52.903 23.861 1.00 0.00 H ATOM 79 H GLN A 772 -18.141 48.429 26.459 1.00 0.00 H ATOM 80 N ASP A 773 -18.316 45.788 24.432 1.00 90.49 N ATOM 81 CA ASP A 773 -17.904 44.527 23.805 1.00 90.01 C ATOM 82 C ASP A 773 -18.222 43.346 24.745 1.00 88.26 C ATOM 83 O ASP A 773 -18.789 42.338 24.303 1.00 90.14 O ATOM 84 CB ASP A 773 -16.404 44.530 23.430 1.00 88.78 C ATOM 85 CG ASP A 773 -16.056 45.475 22.244 1.00 93.23 C ATOM 86 OD1 ASP A 773 -16.946 45.830 21.428 1.00 93.74 O ATOM 87 OD2 ASP A 773 -14.862 45.862 22.127 1.00 93.65 O ATOM 88 H ASP A 773 -17.612 46.546 24.539 1.00 0.00 H ATOM 89 N LEU A 774 -17.881 43.499 26.034 1.00 85.85 N ATOM 90 CA LEU A 774 -18.157 42.483 27.074 1.00 82.48 C ATOM 91 C LEU A 774 -19.648 42.162 27.232 1.00 82.71 C ATOM 92 O LEU A 774 -20.011 40.994 27.386 1.00 79.60 O ATOM 93 CB LEU A 774 -17.580 42.918 28.437 1.00 80.60 C ATOM 94 CG LEU A 774 -17.849 42.039 29.670 1.00 78.31 C ATOM 95 CD1 LEU A 774 -17.168 40.686 29.508 1.00 75.33 C ATOM 96 CD2 LEU A 774 -17.386 42.723 30.956 1.00 77.88 C ATOM 97 H LEU A 774 -17.398 44.376 26.316 1.00 0.00 H ATOM 98 N ILE A 775 -20.492 43.196 27.211 1.00 85.14 N ATOM 99 CA ILE A 775 -21.947 43.025 27.371 1.00 86.73 C ATOM 100 C ILE A 775 -22.559 42.239 26.200 1.00 88.75 C ATOM 101 O ILE A 775 -23.407 41.370 26.421 1.00 84.88 O ATOM 102 CB ILE A 775 -22.672 44.386 27.547 1.00 88.93 C ATOM 103 CG1 ILE A 775 -22.277 45.060 28.860 1.00 88.93 C ATOM 104 CG2 ILE A 775 -24.182 44.236 27.512 1.00 90.66 C ATOM 105 CD1 ILE A 775 -22.833 44.437 30.138 1.00 88.36 C ATOM 106 H ILE A 775 -20.110 44.154 27.077 1.00 0.00 H ATOM 107 N LYS A 776 -22.118 42.531 24.971 1.00 92.01 N ATOM 108 CA LYS A 776 -22.599 41.796 23.797 1.00 96.03 C ATOM 109 C LYS A 776 -22.210 40.311 23.860 1.00 93.20 C ATOM 110 O LYS A 776 -23.011 39.430 23.534 1.00 92.37 O ATOM 111 CB LYS A 776 -22.068 42.421 22.509 1.00100.06 C ATOM 112 CG LYS A 776 -22.544 43.847 22.250 1.00103.71 C ATOM 113 CD LYS A 776 -24.015 43.914 21.883 1.00108.36 C ATOM 114 CE LYS A 776 -24.326 45.178 21.085 1.00113.59 C ATOM 115 NZ LYS A 776 -25.532 45.055 20.226 1.00118.01 N ATOM 116 HZ1 LYS A 776 -25.393 44.282 19.544 1.00 0.00 H ATOM 117 HZ2 LYS A 776 -26.360 44.850 20.821 1.00 0.00 H ATOM 118 HZ3 LYS A 776 -25.684 45.947 19.714 1.00 0.00 H ATOM 119 H LYS A 776 -21.421 43.293 24.846 1.00 0.00 H ATOM 120 N MET A 777 -20.985 40.053 24.299 1.00 92.39 N ATOM 121 CA MET A 777 -20.475 38.702 24.454 1.00 92.39 C ATOM 122 C MET A 777 -21.267 37.909 25.510 1.00 90.77 C ATOM 123 O MET A 777 -21.609 36.745 25.283 1.00 89.79 O ATOM 124 CB MET A 777 -19.000 38.773 24.850 1.00 92.20 C ATOM 125 CG MET A 777 -18.202 37.488 24.610 1.00 92.04 C ATOM 126 SD MET A 777 -16.618 37.537 25.463 1.00 90.50 S ATOM 127 CE MET A 777 -16.006 39.091 24.818 1.00 94.87 C ATOM 128 H MET A 777 -20.364 40.851 24.542 1.00 0.00 H ATOM 129 N ILE A 778 -21.560 38.558 26.642 1.00 89.98 N ATOM 130 CA ILE A 778 -22.322 37.942 27.733 1.00 90.16 C ATOM 131 C ILE A 778 -23.774 37.618 27.339 1.00 94.26 C ATOM 132 O ILE A 778 -24.287 36.553 27.699 1.00 95.41 O ATOM 133 CB ILE A 778 -22.288 38.822 29.015 1.00 87.91 C ATOM 134 CG1 ILE A 778 -20.902 38.806 29.640 1.00 86.29 C ATOM 135 CG2 ILE A 778 -23.314 38.347 30.060 1.00 86.32 C ATOM 136 CD1 ILE A 778 -20.655 39.914 30.647 1.00 85.29 C ATOM 137 H ILE A 778 -21.234 39.539 26.753 1.00 0.00 H ATOM 138 N PHE A 779 -24.427 38.526 26.614 1.00 98.46 N ATOM 139 CA PHE A 779 -25.814 38.327 26.202 1.00102.61 C ATOM 140 C PHE A 779 -25.951 37.835 24.755 1.00108.00 C ATOM 141 O PHE A 779 -25.463 38.438 23.795 1.00114.27 O ATOM 142 CB PHE A 779 -26.620 39.601 26.445 1.00104.19 C ATOM 143 CG PHE A 779 -26.775 39.937 27.898 1.00101.76 C ATOM 144 CD1 PHE A 779 -27.826 39.407 28.634 1.00102.79 C ATOM 145 CD2 PHE A 779 -25.864 40.770 28.541 1.00 99.49 C ATOM 146 CE1 PHE A 779 -27.983 39.711 29.984 1.00101.05 C ATOM 147 CE2 PHE A 779 -26.003 41.071 29.889 1.00 98.32 C ATOM 148 CZ PHE A 779 -27.069 40.546 30.611 1.00 99.55 C ATOM 149 H PHE A 779 -23.936 39.399 26.334 1.00 0.00 H ATOM 150 N GLY A 780 -26.667 36.713 24.624 1.00109.98 N ATOM 151 CA GLY A 780 -27.120 36.178 23.330 1.00113.38 C ATOM 152 C GLY A 780 -28.388 35.342 23.479 1.00115.55 C ATOM 153 O GLY A 780 -28.851 34.697 22.531 1.00118.41 O ATOM 154 H GLY A 780 -26.918 36.188 25.486 1.00 0.00 H TER 155 GLY A 780 ATOM 156 N PRO A 789 -30.473 45.348 24.097 1.00115.07 N ATOM 157 CA PRO A 789 -29.919 46.712 24.133 1.00116.12 C ATOM 158 C PRO A 789 -28.887 46.891 25.262 1.00111.21 C ATOM 159 O PRO A 789 -29.117 46.428 26.367 1.00107.83 O ATOM 160 CB PRO A 789 -31.165 47.605 24.330 1.00120.25 C ATOM 161 CG PRO A 789 -32.334 46.672 24.479 1.00121.58 C ATOM 162 CD PRO A 789 -31.817 45.277 24.689 1.00117.05 C ATOM 163 HN2 PRO A 789 -29.840 44.715 24.627 1.00 0.00 H ATOM 164 HN1 PRO A 789 -30.526 45.034 23.107 1.00 0.00 H ATOM 165 N ILE A 790 -27.775 47.569 24.976 1.00110.64 N ATOM 166 CA ILE A 790 -26.557 47.517 25.814 1.00105.98 C ATOM 167 C ILE A 790 -26.763 47.996 27.256 1.00106.20 C ATOM 168 O ILE A 790 -26.464 47.240 28.202 1.00101.85 O ATOM 169 CB ILE A 790 -25.371 48.313 25.187 1.00106.14 C ATOM 170 CG1 ILE A 790 -24.896 47.692 23.878 1.00106.51 C ATOM 171 CG2 ILE A 790 -24.180 48.399 26.144 1.00102.68 C ATOM 172 CD1 ILE A 790 -24.074 48.656 23.029 1.00108.09 C ATOM 173 H ILE A 790 -27.763 48.163 24.122 1.00 0.00 H ATOM 174 N ASP A 791 -27.248 49.230 27.426 1.00109.01 N ATOM 175 CA ASP A 791 -27.359 49.827 28.761 1.00108.94 C ATOM 176 C ASP A 791 -28.376 49.114 29.659 1.00107.82 C ATOM 177 O ASP A 791 -28.166 49.045 30.885 1.00107.02 O ATOM 178 CB ASP A 791 -27.669 51.338 28.698 1.00113.70 C ATOM 179 CG ASP A 791 -26.457 52.200 28.269 1.00115.59 C ATOM 180 OD1 ASP A 791 -26.662 53.374 27.899 1.00122.28 O ATOM 181 OD2 ASP A 791 -25.306 51.725 28.306 1.00114.89 O ATOM 182 H ASP A 791 -27.552 49.777 26.596 1.00 0.00 H ATOM 183 N VAL A 792 -29.450 48.569 29.070 1.00108.54 N ATOM 184 CA VAL A 792 -30.451 47.811 29.848 1.00109.11 C ATOM 185 C VAL A 792 -29.877 46.456 30.292 1.00103.85 C ATOM 186 O VAL A 792 -30.182 45.997 31.383 1.00102.43 O ATOM 187 CB VAL A 792 -31.808 47.625 29.088 1.00113.84 C ATOM 188 CG1 VAL A 792 -32.759 46.640 29.784 1.00114.56 C ATOM 189 CG2 VAL A 792 -32.516 48.964 28.884 1.00118.40 C ATOM 190 H VAL A 792 -29.581 48.682 28.045 1.00 0.00 H ATOM 191 N ASN A 793 -29.071 45.829 29.438 1.00100.87 N ATOM 192 CA ASN A 793 -28.397 44.570 29.777 1.00 97.07 C ATOM 193 C ASN A 793 -27.293 44.757 30.839 1.00 93.98 C ATOM 194 O ASN A 793 -27.148 43.914 31.723 1.00 91.49 O ATOM 195 CB ASN A 793 -27.838 43.887 28.513 1.00 96.01 C ATOM 196 CG ASN A 793 -28.883 43.087 27.750 1.00 97.17 C ATOM 197 OD1 ASN A 793 -29.708 42.394 28.334 1.00 97.60 O ATOM 198 ND2 ASN A 793 -28.816 43.155 26.435 1.00 99.48 N ATOM 199 HD22 ASN A 793 -28.099 43.757 25.981 1.00 0.00 H ATOM 200 HD21 ASN A 793 -29.480 42.607 25.851 1.00 0.00 H ATOM 201 H ASN A 793 -28.913 46.246 28.498 1.00 0.00 H ATOM 202 N TYR A 794 -26.545 45.862 30.764 1.00 93.80 N ATOM 203 CA TYR A 794 -25.580 46.239 31.816 1.00 91.28 C ATOM 204 C TYR A 794 -26.233 46.394 33.192 1.00 91.90 C ATOM 205 O TYR A 794 -25.679 45.929 34.197 1.00 88.07 O ATOM 206 CB TYR A 794 -24.849 47.534 31.440 1.00 93.27 C ATOM 207 CG TYR A 794 -23.876 48.033 32.492 1.00 91.44 C ATOM 208 CD1 TYR A 794 -22.648 47.410 32.673 1.00 88.95 C ATOM 209 CD2 TYR A 794 -24.189 49.122 33.310 1.00 93.62 C ATOM 210 CE1 TYR A 794 -21.757 47.838 33.651 1.00 88.21 C ATOM 211 CE2 TYR A 794 -23.306 49.570 34.290 1.00 92.52 C ATOM 212 CZ TYR A 794 -22.083 48.924 34.451 1.00 91.02 C ATOM 213 OH TYR A 794 -21.183 49.324 35.407 1.00 88.33 O ATOM 214 HH TYR A 794 -20.380 48.746 35.365 1.00 0.00 H ATOM 215 H TYR A 794 -26.646 46.480 29.933 1.00 0.00 H ATOM 216 N GLU A 795 -27.398 47.052 33.224 1.00 97.80 N ATOM 217 CA GLU A 795 -28.212 47.182 34.439 1.00 99.55 C ATOM 218 C GLU A 795 -28.647 45.814 35.006 1.00 97.47 C ATOM 219 O GLU A 795 -28.698 45.662 36.220 1.00 98.11 O ATOM 220 CB GLU A 795 -29.420 48.105 34.187 1.00105.43 C ATOM 221 CG GLU A 795 -30.496 48.146 35.286 1.00108.99 C ATOM 222 CD GLU A 795 -31.897 48.438 34.740 1.00115.75 C ATOM 223 OE1 GLU A 795 -32.138 49.550 34.208 1.00120.37 O ATOM 224 OE2 GLU A 795 -32.787 47.562 34.851 1.00118.54 O ATOM 225 H GLU A 795 -27.743 47.492 32.347 1.00 0.00 H ATOM 226 N LYS A 796 -28.947 44.832 34.147 1.00 96.48 N ATOM 227 CA LYS A 796 -29.316 43.472 34.607 1.00 95.37 C ATOM 228 C LYS A 796 -28.197 42.735 35.358 1.00 92.44 C ATOM 229 O LYS A 796 -28.484 41.841 36.162 1.00 92.39 O ATOM 230 CB LYS A 796 -29.774 42.570 33.450 1.00 95.21 C ATOM 231 CG LYS A 796 -31.147 42.881 32.886 1.00100.54 C ATOM 232 CD LYS A 796 -31.547 41.876 31.807 1.00101.21 C ATOM 233 CE LYS A 796 -32.499 42.470 30.767 1.00105.43 C ATOM 234 NZ LYS A 796 -33.600 43.282 31.350 1.00109.65 N ATOM 235 HZ1 LYS A 796 -34.170 42.687 31.984 1.00 0.00 H ATOM 236 HZ2 LYS A 796 -33.197 44.076 31.887 1.00 0.00 H ATOM 237 HZ3 LYS A 796 -34.201 43.649 30.585 1.00 0.00 H ATOM 238 H LYS A 796 -28.920 45.029 33.126 1.00 0.00 H ATOM 239 N LEU A 797 -26.941 43.090 35.088 1.00 89.44 N ATOM 240 CA LEU A 797 -25.814 42.484 35.786 1.00 86.50 C ATOM 241 C LEU A 797 -25.692 42.903 37.260 1.00 86.49 C ATOM 242 O LEU A 797 -25.062 42.195 38.037 1.00 81.96 O ATOM 243 CB LEU A 797 -24.502 42.769 35.041 1.00 84.99 C ATOM 244 CG LEU A 797 -24.418 42.232 33.605 1.00 85.86 C ATOM 245 CD1 LEU A 797 -23.055 42.551 33.001 1.00 83.84 C ATOM 246 CD2 LEU A 797 -24.723 40.720 33.539 1.00 84.22 C ATOM 247 H LEU A 797 -26.761 43.815 34.364 1.00 0.00 H ATOM 248 N LYS A 798 -26.271 44.049 37.632 1.00 89.67 N ATOM 249 CA LYS A 798 -26.199 44.566 39.007 1.00 91.01 C ATOM 250 C LYS A 798 -24.744 44.661 39.510 1.00 88.14 C ATOM 251 O LYS A 798 -24.461 44.445 40.694 1.00 86.92 O ATOM 252 CB LYS A 798 -27.043 43.712 39.979 1.00 91.99 C ATOM 253 CG LYS A 798 -28.406 43.240 39.478 1.00 94.49 C ATOM 254 CD LYS A 798 -29.390 44.357 39.215 1.00 99.35 C ATOM 255 CE LYS A 798 -30.683 43.782 38.643 1.00103.09 C ATOM 256 NZ LYS A 798 -31.711 44.808 38.298 1.00108.09 N ATOM 257 HZ1 LYS A 798 -31.967 45.342 39.153 1.00 0.00 H ATOM 258 HZ2 LYS A 798 -31.324 45.458 37.584 1.00 0.00 H ATOM 259 HZ3 LYS A 798 -32.556 44.336 37.917 1.00 0.00 H ATOM 260 H LYS A 798 -26.794 44.598 36.920 1.00 0.00 H ATOM 261 N THR A 799 -23.842 44.996 38.593 1.00 87.04 N ATOM 262 CA THR A 799 -22.398 44.977 38.827 1.00 85.49 C ATOM 263 C THR A 799 -21.845 46.305 38.312 1.00 87.91 C ATOM 264 O THR A 799 -22.320 46.830 37.305 1.00 95.21 O ATOM 265 CB THR A 799 -21.727 43.771 38.105 1.00 81.58 C ATOM 266 OG1 THR A 799 -22.386 42.547 38.473 1.00 79.82 O ATOM 267 CG2 THR A 799 -20.258 43.630 38.470 1.00 78.91 C ATOM 268 HG1 THR A 799 -23.339 42.595 38.210 1.00 0.00 H ATOM 269 H THR A 799 -24.182 45.289 37.655 1.00 0.00 H ATOM 270 N ASP A 800 -20.874 46.875 39.017 1.00 86.68 N ATOM 271 CA ASP A 800 -20.131 48.025 38.511 1.00 88.59 C ATOM 272 C ASP A 800 -18.879 47.477 37.822 1.00 84.71 C ATOM 273 O ASP A 800 -18.070 46.809 38.461 1.00 79.96 O ATOM 274 CB ASP A 800 -19.783 48.975 39.650 1.00 91.42 C ATOM 275 CG ASP A 800 -18.975 50.194 39.179 1.00 94.22 C ATOM 276 OD1 ASP A 800 -19.526 51.056 38.453 1.00 97.37 O ATOM 277 OD2 ASP A 800 -17.776 50.295 39.542 1.00 94.11 O ATOM 278 H ASP A 800 -20.637 46.492 39.954 1.00 0.00 H ATOM 279 N ILE A 801 -18.730 47.757 36.527 1.00 84.95 N ATOM 280 CA ILE A 801 -17.636 47.216 35.728 1.00 83.24 C ATOM 281 C ILE A 801 -16.751 48.346 35.230 1.00 85.67 C ATOM 282 O ILE A 801 -17.163 49.115 34.361 1.00 89.71 O ATOM 283 CB ILE A 801 -18.173 46.415 34.524 1.00 83.57 C ATOM 284 CG1 ILE A 801 -19.210 45.367 34.995 1.00 81.87 C ATOM 285 CG2 ILE A 801 -17.035 45.744 33.765 1.00 82.05 C ATOM 286 CD1 ILE A 801 -19.779 44.511 33.876 1.00 82.05 C ATOM 287 H ILE A 801 -19.420 48.385 36.069 1.00 0.00 H ATOM 288 N LYS A 802 -15.546 48.472 35.800 1.00 84.21 N ATOM 289 CA LYS A 802 -14.536 49.430 35.302 1.00 86.25 C ATOM 290 C LYS A 802 -13.501 48.682 34.478 1.00 82.72 C ATOM 291 O LYS A 802 -13.263 47.492 34.704 1.00 79.15 O ATOM 292 CB LYS A 802 -13.810 50.156 36.448 1.00 87.94 C ATOM 293 CG LYS A 802 -14.666 51.124 37.273 1.00 90.95 C ATOM 294 CD LYS A 802 -14.055 51.464 38.635 1.00 91.86 C ATOM 295 CE LYS A 802 -15.088 51.717 39.733 1.00 92.55 C ATOM 296 NZ LYS A 802 -16.219 52.637 39.369 1.00 95.85 N ATOM 297 HZ1 LYS A 802 -15.837 53.569 39.109 1.00 0.00 H ATOM 298 HZ2 LYS A 802 -16.743 52.239 38.563 1.00 0.00 H ATOM 299 HZ3 LYS A 802 -16.858 52.738 40.183 1.00 0.00 H ATOM 300 H LYS A 802 -15.313 47.876 36.620 1.00 0.00 H ATOM 301 N VAL A 803 -12.881 49.384 33.533 1.00 82.06 N ATOM 302 CA VAL A 803 -11.749 48.844 32.780 1.00 81.25 C ATOM 303 C VAL A 803 -10.496 49.136 33.589 1.00 80.68 C ATOM 304 O VAL A 803 -10.265 50.280 33.968 1.00 80.95 O ATOM 305 CB VAL A 803 -11.606 49.493 31.383 1.00 84.87 C ATOM 306 CG1 VAL A 803 -10.365 48.961 30.663 1.00 85.11 C ATOM 307 CG2 VAL A 803 -12.870 49.258 30.559 1.00 85.07 C ATOM 308 H VAL A 803 -13.212 50.347 33.323 1.00 0.00 H ATOM 309 N VAL A 804 -9.701 48.105 33.880 1.00 78.58 N ATOM 310 CA VAL A 804 -8.439 48.311 34.583 1.00 78.72 C ATOM 311 C VAL A 804 -7.439 48.871 33.558 1.00 81.98 C ATOM 312 O VAL A 804 -7.361 48.381 32.429 1.00 79.57 O ATOM 313 CB VAL A 804 -7.914 47.015 35.245 1.00 75.22 C ATOM 314 CG1 VAL A 804 -6.519 47.220 35.845 1.00 75.34 C ATOM 315 CG2 VAL A 804 -8.869 46.546 36.335 1.00 74.05 C ATOM 316 H VAL A 804 -9.984 47.143 33.603 1.00 0.00 H ATOM 317 N ASP A 805 -6.697 49.902 33.958 1.00 85.24 N ATOM 318 CA ASP A 805 -5.754 50.549 33.070 1.00 90.10 C ATOM 319 C ASP A 805 -4.591 49.599 32.733 1.00 90.52 C ATOM 320 O ASP A 805 -3.984 49.020 33.637 1.00 88.74 O ATOM 321 CB ASP A 805 -5.233 51.842 33.721 1.00 93.90 C ATOM 322 CG ASP A 805 -4.219 52.578 32.860 1.00 97.27 C ATOM 323 OD1 ASP A 805 -4.350 52.563 31.624 1.00100.18 O ATOM 324 OD2 ASP A 805 -3.294 53.178 33.428 1.00100.67 O ATOM 325 H ASP A 805 -6.797 50.251 34.932 1.00 0.00 H ATOM 326 N ARG A 806 -4.292 49.465 31.438 1.00 93.35 N ATOM 327 CA ARG A 806 -3.215 48.581 30.954 1.00 94.29 C ATOM 328 C ARG A 806 -1.819 48.858 31.533 1.00 95.49 C ATOM 329 O ARG A 806 -1.049 47.930 31.707 1.00 92.09 O ATOM 330 CB ARG A 806 -3.185 48.505 29.420 1.00 99.32 C ATOM 331 CG ARG A 806 -4.096 47.381 28.880 1.00 98.49 C ATOM 332 CD ARG A 806 -4.162 47.313 27.355 1.00103.42 C ATOM 333 NE ARG A 806 -5.160 48.223 26.782 1.00106.96 N ATOM 334 CZ ARG A 806 -6.486 47.997 26.709 1.00106.60 C ATOM 335 NH1 ARG A 806 -7.039 46.896 27.225 1.00102.69 N ATOM 336 NH2 ARG A 806 -7.271 48.915 26.136 1.00109.55 N ATOM 337 HE ARG A 806 -4.812 49.124 26.397 1.00 0.00 H ATOM 338 HH12 ARG A 806 -8.066 46.748 27.154 1.00 0.00 H ATOM 339 HH11 ARG A 806 -6.443 46.187 27.698 1.00 0.00 H ATOM 340 HH22 ARG A 806 -8.297 48.755 26.072 1.00 0.00 H ATOM 341 HH21 ARG A 806 -6.856 49.789 25.754 1.00 0.00 H ATOM 342 H ARG A 806 -4.842 50.007 30.741 1.00 0.00 H ATOM 343 N ASP A 807 -1.504 50.114 31.825 1.00 99.87 N ATOM 344 CA ASP A 807 -0.207 50.461 32.449 1.00102.19 C ATOM 345 C ASP A 807 -0.151 50.397 33.990 1.00101.32 C ATOM 346 O ASP A 807 0.927 50.514 34.558 1.00102.43 O ATOM 347 CB ASP A 807 0.249 51.850 31.979 1.00107.60 C ATOM 348 CG ASP A 807 0.467 51.920 30.472 1.00109.91 C ATOM 349 OD1 ASP A 807 0.404 50.884 29.773 1.00109.37 O ATOM 350 OD2 ASP A 807 0.711 53.026 29.979 1.00113.13 O ATOM 351 H ASP A 807 -2.184 50.871 31.611 1.00 0.00 H ATOM 352 N SER A 808 -1.287 50.184 34.653 1.00100.19 N ATOM 353 CA SER A 808 -1.341 50.185 36.127 1.00100.82 C ATOM 354 C SER A 808 -0.594 48.989 36.750 1.00 98.78 C ATOM 355 O SER A 808 -0.291 47.995 36.059 1.00 92.26 O ATOM 356 CB SER A 808 -2.794 50.180 36.625 1.00 97.60 C ATOM 357 OG SER A 808 -3.461 48.962 36.334 1.00 95.50 O ATOM 358 HG SER A 808 -3.472 48.819 35.354 1.00 0.00 H ATOM 359 H SER A 808 -2.161 50.012 34.116 1.00 0.00 H ATOM 360 N GLU A 809 -0.293 49.115 38.047 1.00100.91 N ATOM 361 CA GLU A 809 0.302 48.014 38.814 1.00102.34 C ATOM 362 C GLU A 809 -0.614 46.790 38.870 1.00 96.45 C ATOM 363 O GLU A 809 -0.131 45.676 38.696 1.00 96.32 O ATOM 364 CB GLU A 809 0.746 48.465 40.214 1.00107.42 C ATOM 365 CG GLU A 809 -0.312 49.043 41.154 1.00111.27 C ATOM 366 CD GLU A 809 0.234 50.187 42.038 1.00117.87 C ATOM 367 OE1 GLU A 809 1.448 50.177 42.374 1.00121.47 O ATOM 368 OE2 GLU A 809 -0.544 51.106 42.407 1.00122.17 O ATOM 369 H GLU A 809 -0.486 50.018 38.525 1.00 0.00 H ATOM 370 N GLU A 810 -1.915 47.005 39.064 1.00 93.50 N ATOM 371 CA GLU A 810 -2.924 45.914 39.037 1.00 91.85 C ATOM 372 C GLU A 810 -2.855 45.064 37.773 1.00 86.05 C ATOM 373 O GLU A 810 -2.882 43.835 37.837 1.00 82.82 O ATOM 374 CB GLU A 810 -4.344 46.473 39.125 1.00 94.64 C ATOM 375 CG GLU A 810 -4.735 47.034 40.486 1.00 96.79 C ATOM 376 CD GLU A 810 -6.085 47.733 40.429 1.00 99.53 C ATOM 377 OE1 GLU A 810 -7.093 47.093 40.791 1.00 95.74 O ATOM 378 OE2 GLU A 810 -6.110 48.908 39.969 1.00104.80 O ATOM 379 H GLU A 810 -2.238 47.977 39.242 1.00 0.00 H ATOM 380 N ALA A 811 -2.804 45.739 36.632 1.00 85.21 N ATOM 381 CA ALA A 811 -2.750 45.067 35.328 1.00 82.18 C ATOM 382 C ALA A 811 -1.444 44.290 35.156 1.00 81.15 C ATOM 383 O ALA A 811 -1.469 43.163 34.669 1.00 78.94 O ATOM 384 CB ALA A 811 -2.923 46.070 34.205 1.00 85.13 C ATOM 385 H ALA A 811 -2.802 46.779 36.662 1.00 0.00 H ATOM 386 N GLU A 812 -0.325 44.882 35.585 1.00 82.64 N ATOM 387 CA GLU A 812 0.973 44.205 35.516 1.00 84.45 C ATOM 388 C GLU A 812 0.950 42.935 36.373 1.00 79.15 C ATOM 389 O GLU A 812 1.432 41.898 35.940 1.00 78.02 O ATOM 390 CB GLU A 812 2.136 45.120 35.952 1.00 89.19 C ATOM 391 CG GLU A 812 3.352 45.109 35.022 1.00 94.59 C ATOM 392 CD GLU A 812 3.221 46.068 33.826 1.00101.02 C ATOM 393 OE1 GLU A 812 2.067 46.227 33.346 1.00102.18 O ATOM 394 OE2 GLU A 812 4.251 46.660 33.350 1.00105.76 O ATOM 395 H GLU A 812 -0.377 45.844 35.976 1.00 0.00 H ATOM 396 N ILE A 813 0.379 43.032 37.571 1.00 76.58 N ATOM 397 CA ILE A 813 0.250 41.895 38.482 1.00 74.34 C ATOM 398 C ILE A 813 -0.614 40.801 37.867 1.00 70.60 C ATOM 399 O ILE A 813 -0.225 39.637 37.884 1.00 69.73 O ATOM 400 CB ILE A 813 -0.315 42.336 39.858 1.00 74.83 C ATOM 401 CG1 ILE A 813 0.762 43.096 40.633 1.00 78.22 C ATOM 402 CG2 ILE A 813 -0.811 41.148 40.684 1.00 73.39 C ATOM 403 CD1 ILE A 813 0.234 43.867 41.829 1.00 79.23 C ATOM 404 H ILE A 813 0.009 43.956 37.872 1.00 0.00 H ATOM 405 N ILE A 814 -1.772 41.190 37.325 1.00 68.57 N ATOM 406 CA ILE A 814 -2.708 40.248 36.738 1.00 66.67 C ATOM 407 C ILE A 814 -2.103 39.539 35.528 1.00 66.96 C ATOM 408 O ILE A 814 -2.204 38.323 35.425 1.00 69.35 O ATOM 409 CB ILE A 814 -4.075 40.914 36.439 1.00 66.56 C ATOM 410 CG1 ILE A 814 -4.791 41.207 37.766 1.00 66.83 C ATOM 411 CG2 ILE A 814 -4.966 40.014 35.583 1.00 65.20 C ATOM 412 CD1 ILE A 814 -5.907 42.208 37.681 1.00 67.42 C ATOM 413 H ILE A 814 -2.011 42.202 37.324 1.00 0.00 H ATOM 414 N ARG A 815 -1.442 40.271 34.645 1.00 71.04 N ATOM 415 CA ARG A 815 -0.756 39.654 33.501 1.00 72.72 C ATOM 416 C ARG A 815 0.360 38.699 33.921 1.00 70.36 C ATOM 417 O ARG A 815 0.529 37.646 33.300 1.00 69.09 O ATOM 418 CB ARG A 815 -0.221 40.709 32.523 1.00 77.99 C ATOM 419 CG ARG A 815 -1.333 41.358 31.690 1.00 80.44 C ATOM 420 CD ARG A 815 -0.810 42.107 30.468 1.00 85.80 C ATOM 421 NE ARG A 815 -0.937 43.543 30.640 1.00 89.43 N ATOM 422 CZ ARG A 815 -0.069 44.329 31.279 1.00 95.13 C ATOM 423 NH1 ARG A 815 1.049 43.874 31.847 1.00 97.87 N ATOM 424 NH2 ARG A 815 -0.316 45.632 31.344 1.00 99.05 N ATOM 425 HE ARG A 815 -1.777 43.998 30.230 1.00 0.00 H ATOM 426 HH12 ARG A 815 1.691 44.533 32.333 1.00 0.00 H ATOM 427 HH11 ARG A 815 1.279 42.861 31.804 1.00 0.00 H ATOM 428 HH22 ARG A 815 0.347 46.263 31.837 1.00 0.00 H ATOM 429 HH21 ARG A 815 -1.173 46.022 30.902 1.00 0.00 H ATOM 430 H ARG A 815 -1.407 41.304 34.763 1.00 0.00 H ATOM 431 N LYS A 816 1.107 39.053 34.965 1.00 70.66 N ATOM 432 CA LYS A 816 2.153 38.166 35.501 1.00 71.89 C ATOM 433 C LYS A 816 1.551 36.850 36.025 1.00 68.42 C ATOM 434 O LYS A 816 2.091 35.770 35.782 1.00 70.52 O ATOM 435 CB LYS A 816 2.931 38.878 36.614 1.00 73.95 C ATOM 436 CG LYS A 816 4.284 38.268 36.957 1.00 77.16 C ATOM 437 CD LYS A 816 4.937 38.982 38.145 1.00 79.45 C ATOM 438 CE LYS A 816 6.476 38.994 38.111 1.00 83.66 C ATOM 439 NZ LYS A 816 7.112 37.650 37.939 1.00 83.21 N ATOM 440 HZ1 LYS A 816 6.834 37.033 38.729 1.00 0.00 H ATOM 441 HZ2 LYS A 816 6.796 37.230 37.042 1.00 0.00 H ATOM 442 HZ3 LYS A 816 8.146 37.756 37.928 1.00 0.00 H ATOM 443 H LYS A 816 0.948 39.978 35.413 1.00 0.00 H ATOM 444 N TYR A 817 0.416 36.954 36.713 1.00 65.11 N ATOM 445 CA TYR A 817 -0.311 35.788 37.222 1.00 64.11 C ATOM 446 C TYR A 817 -0.761 34.865 36.079 1.00 63.41 C ATOM 447 O TYR A 817 -0.666 33.646 36.207 1.00 60.84 O ATOM 448 CB TYR A 817 -1.518 36.272 38.044 1.00 63.40 C ATOM 449 CG TYR A 817 -2.204 35.309 38.995 1.00 59.75 C ATOM 450 CD1 TYR A 817 -1.689 34.031 39.282 1.00 59.88 C ATOM 451 CD2 TYR A 817 -3.361 35.711 39.661 1.00 56.87 C ATOM 452 CE1 TYR A 817 -2.332 33.192 40.179 1.00 56.77 C ATOM 453 CE2 TYR A 817 -4.020 34.873 40.548 1.00 57.99 C ATOM 454 CZ TYR A 817 -3.497 33.618 40.818 1.00 56.81 C ATOM 455 OH TYR A 817 -4.162 32.808 41.713 1.00 53.78 O ATOM 456 HH TYR A 817 -4.208 33.259 42.593 1.00 0.00 H ATOM 457 H TYR A 817 0.029 37.902 36.897 1.00 0.00 H ATOM 458 N VAL A 818 -1.213 35.453 34.963 1.00 65.80 N ATOM 459 CA VAL A 818 -1.610 34.682 33.788 1.00 67.34 C ATOM 460 C VAL A 818 -0.406 34.028 33.110 1.00 70.42 C ATOM 461 O VAL A 818 -0.467 32.844 32.733 1.00 71.84 O ATOM 462 CB VAL A 818 -2.358 35.527 32.739 1.00 70.51 C ATOM 463 CG1 VAL A 818 -2.608 34.702 31.450 1.00 72.78 C ATOM 464 CG2 VAL A 818 -3.680 36.030 33.297 1.00 68.65 C ATOM 465 H VAL A 818 -1.283 36.490 34.933 1.00 0.00 H ATOM 466 N LYS A 819 0.674 34.785 32.950 1.00 71.08 N ATOM 467 CA LYS A 819 1.869 34.259 32.304 1.00 73.30 C ATOM 468 C LYS A 819 2.555 33.150 33.124 1.00 71.46 C ATOM 469 O LYS A 819 2.908 32.115 32.582 1.00 73.31 O ATOM 470 CB LYS A 819 2.879 35.378 32.021 1.00 76.89 C ATOM 471 CG LYS A 819 3.959 34.923 31.060 1.00 81.21 C ATOM 472 CD LYS A 819 5.113 35.895 30.932 1.00 86.04 C ATOM 473 CE LYS A 819 6.277 35.203 30.270 1.00 88.85 C ATOM 474 NZ LYS A 819 6.904 36.078 29.230 1.00 94.37 N ATOM 475 HZ1 LYS A 819 6.198 36.311 28.503 1.00 0.00 H ATOM 476 HZ2 LYS A 819 7.246 36.953 29.676 1.00 0.00 H ATOM 477 HZ3 LYS A 819 7.702 35.576 28.791 1.00 0.00 H ATOM 478 H LYS A 819 0.666 35.767 33.291 1.00 0.00 H ATOM 479 N ASN A 820 2.737 33.381 34.413 1.00 69.40 N ATOM 480 CA ASN A 820 3.490 32.449 35.264 1.00 71.72 C ATOM 481 C ASN A 820 2.783 31.142 35.627 1.00 67.20 C ATOM 482 O ASN A 820 3.447 30.153 35.895 1.00 67.13 O ATOM 483 CB ASN A 820 3.894 33.132 36.574 1.00 72.21 C ATOM 484 CG ASN A 820 4.943 34.197 36.391 1.00 74.58 C ATOM 485 OD1 ASN A 820 5.519 34.342 35.328 1.00 79.55 O ATOM 486 ND2 ASN A 820 5.201 34.937 37.452 1.00 75.37 N ATOM 487 HD22 ASN A 820 4.682 34.774 38.338 1.00 0.00 H ATOM 488 HD21 ASN A 820 5.924 35.683 37.402 1.00 0.00 H ATOM 489 H ASN A 820 2.337 34.243 34.835 1.00 0.00 H ATOM 490 N THR A 821 1.453 31.149 35.670 1.00 64.52 N ATOM 491 CA THR A 821 0.717 29.992 36.147 1.00 62.81 C ATOM 492 C THR A 821 0.029 29.236 35.021 1.00 63.80 C ATOM 493 O THR A 821 -0.943 28.518 35.251 1.00 62.60 O ATOM 494 CB THR A 821 -0.301 30.374 37.253 1.00 59.81 C ATOM 495 OG1 THR A 821 -1.394 31.142 36.707 1.00 60.17 O ATOM 496 CG2 THR A 821 0.380 31.136 38.381 1.00 58.77 C ATOM 497 HG1 THR A 821 -1.041 31.972 36.299 1.00 0.00 H ATOM 498 H THR A 821 0.934 31.994 35.358 1.00 0.00 H ATOM 499 N HIS A 822 0.528 29.388 33.805 1.00 68.90 N ATOM 500 CA HIS A 822 0.088 28.564 32.696 1.00 72.41 C ATOM 501 C HIS A 822 0.921 27.278 32.697 1.00 75.57 C ATOM 502 O HIS A 822 2.117 27.328 32.504 1.00 82.99 O ATOM 503 CB HIS A 822 0.266 29.288 31.372 1.00 75.63 C ATOM 504 CG HIS A 822 -0.326 28.534 30.228 1.00 77.40 C ATOM 505 ND1 HIS A 822 -1.564 28.844 29.730 1.00 78.27 N ATOM 506 CD2 HIS A 822 0.099 27.454 29.533 1.00 81.46 C ATOM 507 CE1 HIS A 822 -1.866 28.017 28.742 1.00 80.06 C ATOM 508 NE2 HIS A 822 -0.872 27.161 28.611 1.00 82.27 N ATOM 509 H HIS A 822 1.253 30.116 33.641 1.00 0.00 H ATOM 510 N ALA A 823 0.273 26.141 32.939 1.00 74.91 N ATOM 511 CA ALA A 823 0.936 24.865 33.159 1.00 78.80 C ATOM 512 C ALA A 823 1.375 24.162 31.893 1.00 85.19 C ATOM 513 O ALA A 823 0.780 24.339 30.824 1.00 87.26 O ATOM 514 CB ALA A 823 0.006 23.933 33.899 1.00 77.53 C ATOM 515 H ALA A 823 -0.766 26.166 32.973 1.00 0.00 H ATOM 516 N THR A 824 2.312 23.229 32.082 1.00 89.68 N ATOM 517 CA THR A 824 2.940 22.450 30.994 1.00 94.24 C ATOM 518 C THR A 824 2.063 21.294 30.436 1.00 96.29 C ATOM 519 O THR A 824 2.202 20.931 29.265 1.00 98.70 O ATOM 520 CB THR A 824 4.300 21.863 31.454 1.00 96.26 C ATOM 521 OG1 THR A 824 4.089 20.951 32.535 1.00 95.30 O ATOM 522 CG2 THR A 824 5.280 22.958 31.927 1.00 96.37 C ATOM 523 HG1 THR A 824 4.959 20.579 32.826 1.00 0.00 H ATOM 524 H THR A 824 2.619 23.038 33.057 1.00 0.00 H ATOM 525 N THR A 825 1.193 20.712 31.268 1.00 95.68 N ATOM 526 CA THR A 825 0.167 19.755 30.818 1.00 99.35 C ATOM 527 C THR A 825 -0.799 20.378 29.801 1.00 95.59 C ATOM 528 O THR A 825 -1.246 19.698 28.884 1.00 98.26 O ATOM 529 CB THR A 825 -0.730 19.220 31.985 1.00103.23 C ATOM 530 OG1 THR A 825 0.049 18.903 33.148 1.00108.91 O ATOM 531 CG2 THR A 825 -1.576 18.005 31.550 1.00105.46 C ATOM 532 HG1 THR A 825 0.518 19.717 33.461 1.00 0.00 H ATOM 533 H THR A 825 1.243 20.946 32.280 1.00 0.00 H ATOM 534 N HIS A 826 -1.118 21.662 29.982 1.00 92.03 N ATOM 535 CA HIS A 826 -2.148 22.370 29.204 1.00 90.53 C ATOM 536 C HIS A 826 -1.579 23.176 28.034 1.00 92.47 C ATOM 537 O HIS A 826 -2.029 24.296 27.749 1.00 93.52 O ATOM 538 CB HIS A 826 -2.961 23.287 30.137 1.00 84.72 C ATOM 539 CG HIS A 826 -3.564 22.577 31.315 1.00 83.15 C ATOM 540 ND1 HIS A 826 -3.660 23.150 32.565 1.00 79.17 N ATOM 541 CD2 HIS A 826 -4.088 21.334 31.428 1.00 79.73 C ATOM 542 CE1 HIS A 826 -4.235 22.295 33.390 1.00 76.68 C ATOM 543 NE2 HIS A 826 -4.506 21.188 32.724 1.00 77.14 N ATOM 544 H HIS A 826 -0.608 22.194 30.716 1.00 0.00 H ATOM 545 N ASN A 827 -0.630 22.580 27.319 1.00 95.89 N ATOM 546 CA ASN A 827 0.109 23.267 26.245 1.00 98.65 C ATOM 547 C ASN A 827 -0.548 23.220 24.862 1.00100.26 C ATOM 548 O ASN A 827 0.067 23.550 23.859 1.00104.09 O ATOM 549 CB ASN A 827 1.565 22.757 26.210 1.00102.13 C ATOM 550 CG ASN A 827 2.547 23.706 26.919 1.00103.71 C ATOM 551 OD1 ASN A 827 2.178 24.485 27.826 1.00103.78 O ATOM 552 ND2 ASN A 827 3.812 23.612 26.539 1.00106.48 N ATOM 553 HD22 ASN A 827 4.080 22.952 25.781 1.00 0.00 H ATOM 554 HD21 ASN A 827 4.538 24.198 26.999 1.00 0.00 H ATOM 555 H ASN A 827 -0.399 21.587 27.526 1.00 0.00 H ATOM 556 N ALA A 828 -1.814 22.835 24.811 1.00 98.06 N ATOM 557 CA ALA A 828 -2.685 23.034 23.638 1.00 97.02 C ATOM 558 C ALA A 828 -2.885 24.478 23.145 1.00 94.56 C ATOM 559 O ALA A 828 -3.253 24.725 21.999 1.00 98.62 O ATOM 560 CB ALA A 828 -4.061 22.486 23.961 1.00 94.60 C ATOM 561 H ALA A 828 -2.217 22.365 25.647 1.00 0.00 H ATOM 562 N TYR A 829 -2.720 25.428 24.055 1.00 90.48 N ATOM 563 CA TYR A 829 -2.963 26.849 23.734 1.00 90.45 C ATOM 564 C TYR A 829 -2.115 27.778 24.587 1.00 87.98 C ATOM 565 O TYR A 829 -1.635 27.391 25.647 1.00 85.40 O ATOM 566 CB TYR A 829 -4.447 27.202 23.944 1.00 88.66 C ATOM 567 CG TYR A 829 -4.913 27.002 25.361 1.00 84.44 C ATOM 568 CD1 TYR A 829 -4.918 28.054 26.277 1.00 83.81 C ATOM 569 CD2 TYR A 829 -5.316 25.758 25.793 1.00 83.94 C ATOM 570 CE1 TYR A 829 -5.323 27.859 27.596 1.00 79.37 C ATOM 571 CE2 TYR A 829 -5.737 25.542 27.099 1.00 82.91 C ATOM 572 CZ TYR A 829 -5.724 26.582 28.005 1.00 80.14 C ATOM 573 OH TYR A 829 -6.139 26.325 29.289 1.00 75.56 O ATOM 574 HH TYR A 829 -7.077 26.008 29.274 1.00 0.00 H ATOM 575 H TYR A 829 -2.413 25.167 25.014 1.00 0.00 H ATOM 576 N ASP A 830 -1.935 29.005 24.108 1.00 89.14 N ATOM 577 CA ASP A 830 -1.402 30.112 24.909 1.00 88.16 C ATOM 578 C ASP A 830 -2.554 31.061 25.237 1.00 83.65 C ATOM 579 O ASP A 830 -3.593 31.072 24.561 1.00 83.72 O ATOM 580 CB ASP A 830 -0.330 30.888 24.144 1.00 93.87 C ATOM 581 CG ASP A 830 0.851 30.022 23.727 1.00 99.86 C ATOM 582 OD1 ASP A 830 1.096 29.894 22.508 1.00109.10 O ATOM 583 OD2 ASP A 830 1.558 29.476 24.593 1.00101.69 O ATOM 584 H ASP A 830 -2.185 29.189 23.115 1.00 0.00 H ATOM 585 N LEU A 831 -2.352 31.864 26.272 1.00 79.40 N ATOM 586 CA LEU A 831 -3.351 32.828 26.704 1.00 77.08 C ATOM 587 C LEU A 831 -2.857 34.248 26.506 1.00 79.25 C ATOM 588 O LEU A 831 -1.714 34.571 26.848 1.00 81.91 O ATOM 589 CB LEU A 831 -3.685 32.622 28.178 1.00 72.22 C ATOM 590 CG LEU A 831 -4.503 31.372 28.464 1.00 70.04 C ATOM 591 CD1 LEU A 831 -4.600 31.205 29.950 1.00 67.37 C ATOM 592 CD2 LEU A 831 -5.873 31.435 27.782 1.00 69.94 C ATOM 593 H LEU A 831 -1.452 31.803 26.790 1.00 0.00 H ATOM 594 N GLU A 832 -3.731 35.091 25.961 1.00 78.30 N ATOM 595 CA GLU A 832 -3.470 36.511 25.808 1.00 80.42 C ATOM 596 C GLU A 832 -4.586 37.246 26.533 1.00 76.48 C ATOM 597 O GLU A 832 -5.759 37.006 26.261 1.00 74.11 O ATOM 598 CB GLU A 832 -3.447 36.874 24.318 1.00 84.38 C ATOM 599 CG GLU A 832 -2.856 38.243 24.017 1.00 89.01 C ATOM 600 CD GLU A 832 -2.963 38.653 22.545 1.00 93.05 C ATOM 601 OE1 GLU A 832 -3.466 37.854 21.702 1.00 94.48 O ATOM 602 OE2 GLU A 832 -2.520 39.781 22.250 1.00 93.80 O ATOM 603 H GLU A 832 -4.642 34.715 25.630 1.00 0.00 H ATOM 604 N VAL A 833 -4.227 38.130 27.452 1.00 76.39 N ATOM 605 CA VAL A 833 -5.207 38.981 28.114 1.00 75.78 C ATOM 606 C VAL A 833 -5.614 40.086 27.144 1.00 78.90 C ATOM 607 O VAL A 833 -4.753 40.833 26.666 1.00 78.25 O ATOM 608 CB VAL A 833 -4.656 39.592 29.417 1.00 74.88 C ATOM 609 CG1 VAL A 833 -5.670 40.561 30.035 1.00 74.25 C ATOM 610 CG2 VAL A 833 -4.329 38.472 30.394 1.00 74.09 C ATOM 611 H VAL A 833 -3.223 38.219 27.707 1.00 0.00 H ATOM 612 N ILE A 834 -6.910 40.157 26.834 1.00 78.70 N ATOM 613 CA ILE A 834 -7.432 41.221 25.990 1.00 83.48 C ATOM 614 C ILE A 834 -7.806 42.439 26.852 1.00 85.19 C ATOM 615 O ILE A 834 -7.259 43.526 26.655 1.00 86.55 O ATOM 616 CB ILE A 834 -8.649 40.775 25.147 1.00 84.67 C ATOM 617 CG1 ILE A 834 -8.300 39.556 24.272 1.00 84.92 C ATOM 618 CG2 ILE A 834 -9.132 41.948 24.269 1.00 86.85 C ATOM 619 CD1 ILE A 834 -9.495 38.906 23.582 1.00 85.45 C ATOM 620 H ILE A 834 -7.561 39.436 27.204 1.00 0.00 H ATOM 621 N ASP A 835 -8.752 42.251 27.780 1.00 83.07 N ATOM 622 CA ASP A 835 -9.235 43.313 28.668 1.00 83.27 C ATOM 623 C ASP A 835 -9.347 42.784 30.099 1.00 78.38 C ATOM 624 O ASP A 835 -9.667 41.606 30.329 1.00 73.36 O ATOM 625 CB ASP A 835 -10.607 43.801 28.213 1.00 88.51 C ATOM 626 CG ASP A 835 -10.561 44.605 26.895 1.00 95.92 C ATOM 627 OD1 ASP A 835 -11.300 44.201 25.956 1.00102.51 O ATOM 628 OD2 ASP A 835 -9.821 45.640 26.800 1.00100.00 O ATOM 629 H ASP A 835 -9.166 41.302 27.876 1.00 0.00 H ATOM 630 N ILE A 836 -9.065 43.663 31.052 1.00 76.37 N ATOM 631 CA ILE A 836 -9.142 43.353 32.469 1.00 72.63 C ATOM 632 C ILE A 836 -10.198 44.275 33.038 1.00 71.76 C ATOM 633 O ILE A 836 -10.062 45.499 32.929 1.00 75.61 O ATOM 634 CB ILE A 836 -7.796 43.614 33.185 1.00 72.34 C ATOM 635 CG1 ILE A 836 -6.653 42.881 32.473 1.00 72.26 C ATOM 636 CG2 ILE A 836 -7.871 43.163 34.645 1.00 71.68 C ATOM 637 CD1 ILE A 836 -5.304 43.024 33.129 1.00 73.26 C ATOM 638 H ILE A 836 -8.775 44.621 30.771 1.00 0.00 H ATOM 639 N PHE A 837 -11.244 43.690 33.628 1.00 70.18 N ATOM 640 CA PHE A 837 -12.347 44.459 34.210 1.00 70.76 C ATOM 641 C PHE A 837 -12.369 44.312 35.710 1.00 70.38 C ATOM 642 O PHE A 837 -12.326 43.198 36.211 1.00 72.12 O ATOM 643 CB PHE A 837 -13.676 43.992 33.649 1.00 69.30 C ATOM 644 CG PHE A 837 -13.762 44.089 32.164 1.00 71.28 C ATOM 645 CD1 PHE A 837 -13.997 45.323 31.556 1.00 73.06 C ATOM 646 CD2 PHE A 837 -13.577 42.966 31.369 1.00 70.35 C ATOM 647 CE1 PHE A 837 -14.079 45.421 30.183 1.00 75.39 C ATOM 648 CE2 PHE A 837 -13.654 43.071 29.984 1.00 73.19 C ATOM 649 CZ PHE A 837 -13.904 44.301 29.392 1.00 74.58 C ATOM 650 H PHE A 837 -11.277 42.652 33.676 1.00 0.00 H ATOM 651 N LYS A 838 -12.439 45.426 36.427 1.00 74.21 N ATOM 652 CA LYS A 838 -12.631 45.400 37.865 1.00 75.56 C ATOM 653 C LYS A 838 -14.124 45.358 38.081 1.00 76.53 C ATOM 654 O LYS A 838 -14.846 46.165 37.498 1.00 74.63 O ATOM 655 CB LYS A 838 -12.032 46.632 38.547 1.00 80.95 C ATOM 656 CG LYS A 838 -11.959 46.510 40.062 1.00 82.92 C ATOM 657 CD LYS A 838 -11.859 47.843 40.772 1.00 90.40 C ATOM 658 CE LYS A 838 -10.441 48.393 40.733 1.00 94.37 C ATOM 659 NZ LYS A 838 -9.588 47.695 41.739 1.00 93.51 N ATOM 660 HZ1 LYS A 838 -9.984 47.842 42.689 1.00 0.00 H ATOM 661 HZ2 LYS A 838 -9.564 46.677 41.525 1.00 0.00 H ATOM 662 HZ3 LYS A 838 -8.623 48.081 41.701 1.00 0.00 H ATOM 663 H LYS A 838 -12.354 46.344 35.945 1.00 0.00 H ATOM 664 N ILE A 839 -14.584 44.412 38.906 1.00 74.68 N ATOM 665 CA ILE A 839 -16.009 44.200 39.101 1.00 76.34 C ATOM 666 C ILE A 839 -16.355 44.283 40.575 1.00 77.60 C ATOM 667 O ILE A 839 -15.621 43.794 41.426 1.00 75.16 O ATOM 668 CB ILE A 839 -16.511 42.874 38.483 1.00 76.77 C ATOM 669 CG1 ILE A 839 -15.721 41.664 38.978 1.00 73.36 C ATOM 670 CG2 ILE A 839 -16.456 42.942 36.958 1.00 78.19 C ATOM 671 CD1 ILE A 839 -16.279 40.348 38.478 1.00 71.20 C ATOM 672 H ILE A 839 -13.907 43.814 39.420 1.00 0.00 H ATOM 673 N GLU A 840 -17.464 44.950 40.865 1.00 81.34 N ATOM 674 CA GLU A 840 -18.014 45.029 42.210 1.00 83.38 C ATOM 675 C GLU A 840 -19.503 44.759 42.054 1.00 81.84 C ATOM 676 O GLU A 840 -20.254 45.602 41.556 1.00 84.24 O ATOM 677 CB GLU A 840 -17.736 46.405 42.846 1.00 89.64 C ATOM 678 CG GLU A 840 -16.593 46.452 43.869 1.00 92.72 C ATOM 679 CD GLU A 840 -15.884 47.801 43.914 1.00100.33 C ATOM 680 OE1 GLU A 840 -16.594 48.839 43.855 1.00107.27 O ATOM 681 OE2 GLU A 840 -14.625 47.821 43.999 1.00102.07 O ATOM 682 H GLU A 840 -17.964 45.439 40.095 1.00 0.00 H ATOM 683 N ARG A 841 -19.903 43.543 42.417 1.00 78.14 N ATOM 684 CA ARG A 841 -21.299 43.160 42.446 1.00 76.12 C ATOM 685 C ARG A 841 -21.982 43.880 43.593 1.00 79.14 C ATOM 686 O ARG A 841 -21.381 44.097 44.652 1.00 76.04 O ATOM 687 CB ARG A 841 -21.466 41.660 42.647 1.00 72.46 C ATOM 688 CG ARG A 841 -21.016 40.783 41.485 1.00 69.11 C ATOM 689 CD ARG A 841 -21.380 39.307 41.706 1.00 65.53 C ATOM 690 NE ARG A 841 -22.799 39.136 42.020 1.00 66.16 N ATOM 691 CZ ARG A 841 -23.328 38.907 43.232 1.00 66.64 C ATOM 692 NH1 ARG A 841 -22.577 38.749 44.319 1.00 65.55 N ATOM 693 NH2 ARG A 841 -24.640 38.809 43.363 1.00 67.45 N ATOM 694 HE ARG A 841 -23.465 39.198 41.224 1.00 0.00 H ATOM 695 HH12 ARG A 841 -23.026 38.573 45.240 1.00 0.00 H ATOM 696 HH11 ARG A 841 -21.541 38.801 44.247 1.00 0.00 H ATOM 697 HH22 ARG A 841 -25.057 38.632 44.299 1.00 0.00 H ATOM 698 HH21 ARG A 841 -25.255 38.909 42.530 1.00 0.00 H ATOM 699 H ARG A 841 -19.186 42.841 42.690 1.00 0.00 H ATOM 700 N GLU A 842 -23.246 44.229 43.370 1.00 83.04 N ATOM 701 CA GLU A 842 -24.033 44.968 44.340 1.00 87.14 C ATOM 702 C GLU A 842 -24.322 44.090 45.554 1.00 86.34 C ATOM 703 O GLU A 842 -24.707 42.931 45.409 1.00 84.44 O ATOM 704 CB GLU A 842 -25.329 45.449 43.683 1.00 91.84 C ATOM 705 CG GLU A 842 -26.214 46.357 44.535 1.00 97.30 C ATOM 706 CD GLU A 842 -27.228 47.156 43.698 1.00102.66 C ATOM 707 OE1 GLU A 842 -26.956 47.428 42.500 1.00103.97 O ATOM 708 OE2 GLU A 842 -28.303 47.525 44.237 1.00106.89 O ATOM 709 H GLU A 842 -23.687 43.962 42.467 1.00 0.00 H ATOM 710 N GLY A 843 -24.084 44.635 46.745 1.00 88.68 N ATOM 711 CA GLY A 843 -24.282 43.914 47.997 1.00 88.49 C ATOM 712 C GLY A 843 -23.272 42.833 48.356 1.00 86.11 C ATOM 713 O GLY A 843 -23.348 42.292 49.460 1.00 86.36 O ATOM 714 H GLY A 843 -23.742 45.617 46.784 1.00 0.00 H ATOM 715 N GLU A 844 -22.325 42.509 47.463 1.00 82.58 N ATOM 716 CA GLU A 844 -21.365 41.428 47.725 1.00 79.69 C ATOM 717 C GLU A 844 -20.342 41.810 48.786 1.00 79.17 C ATOM 718 O GLU A 844 -19.972 40.978 49.599 1.00 77.48 O ATOM 719 CB GLU A 844 -20.639 40.968 46.451 1.00 77.26 C ATOM 720 CG GLU A 844 -19.854 39.654 46.665 1.00 75.31 C ATOM 721 CD GLU A 844 -19.400 38.984 45.375 1.00 73.63 C ATOM 722 OE1 GLU A 844 -18.357 39.377 44.836 1.00 71.62 O ATOM 723 OE2 GLU A 844 -20.065 38.038 44.905 1.00 74.73 O ATOM 724 H GLU A 844 -22.269 43.034 46.567 1.00 0.00 H ATOM 725 N CYS A 845 -19.885 43.060 48.776 1.00 81.86 N ATOM 726 CA CYS A 845 -18.982 43.568 49.817 1.00 82.74 C ATOM 727 C CYS A 845 -19.593 43.433 51.220 1.00 83.42 C ATOM 728 O CYS A 845 -18.902 43.040 52.158 1.00 79.79 O ATOM 729 CB CYS A 845 -18.552 45.019 49.518 1.00 86.80 C ATOM 730 SG CYS A 845 -18.079 46.027 50.957 1.00 96.24 S ATOM 731 H CYS A 845 -20.176 43.697 48.007 1.00 0.00 H ATOM 732 N GLN A 846 -20.890 43.725 51.341 1.00 85.99 N ATOM 733 CA GLN A 846 -21.618 43.565 52.608 1.00 89.68 C ATOM 734 C GLN A 846 -21.781 42.092 52.992 1.00 85.61 C ATOM 735 O GLN A 846 -21.589 41.736 54.150 1.00 89.45 O ATOM 736 CB GLN A 846 -22.980 44.260 52.545 1.00 96.27 C ATOM 737 CG GLN A 846 -23.666 44.437 53.896 1.00102.37 C ATOM 738 CD GLN A 846 -24.876 45.362 53.825 1.00108.81 C ATOM 739 OE1 GLN A 846 -24.941 46.267 52.976 1.00112.37 O ATOM 740 NE2 GLN A 846 -25.852 45.149 54.728 1.00111.84 N ATOM 741 HE22 GLN A 846 -25.759 44.380 55.422 1.00 0.00 H ATOM 742 HE21 GLN A 846 -26.699 45.753 54.731 1.00 0.00 H ATOM 743 H GLN A 846 -21.404 44.078 50.509 1.00 0.00 H ATOM 744 N ARG A 847 -22.112 41.241 52.026 1.00 81.24 N ATOM 745 CA ARG A 847 -22.219 39.797 52.249 1.00 79.01 C ATOM 746 C ARG A 847 -20.889 39.170 52.712 1.00 77.00 C ATOM 747 O ARG A 847 -20.880 38.305 53.593 1.00 74.68 O ATOM 748 CB ARG A 847 -22.711 39.112 50.961 1.00 77.33 C ATOM 749 CG ARG A 847 -23.116 37.648 51.108 1.00 75.81 C ATOM 750 CD ARG A 847 -23.473 37.037 49.757 1.00 74.44 C ATOM 751 NE ARG A 847 -22.295 36.870 48.900 1.00 71.19 N ATOM 752 CZ ARG A 847 -22.258 36.159 47.768 1.00 70.33 C ATOM 753 NH1 ARG A 847 -23.327 35.495 47.320 1.00 71.32 N ATOM 754 NH2 ARG A 847 -21.121 36.098 47.075 1.00 68.95 N ATOM 755 HE ARG A 847 -21.417 37.343 49.196 1.00 0.00 H ATOM 756 HH12 ARG A 847 -23.268 34.950 46.436 1.00 0.00 H ATOM 757 HH11 ARG A 847 -24.218 35.523 47.855 1.00 0.00 H ATOM 758 HH22 ARG A 847 -21.078 35.549 46.193 1.00 0.00 H ATOM 759 HH21 ARG A 847 -20.276 36.600 47.416 1.00 0.00 H ATOM 760 H ARG A 847 -22.303 41.615 51.074 1.00 0.00 H ATOM 761 N TYR A 848 -19.786 39.625 52.109 1.00 75.34 N ATOM 762 CA TYR A 848 -18.426 39.157 52.406 1.00 72.30 C ATOM 763 C TYR A 848 -17.831 39.724 53.693 1.00 75.59 C ATOM 764 O TYR A 848 -16.821 39.219 54.165 1.00 75.57 O ATOM 765 CB TYR A 848 -17.508 39.515 51.228 1.00 69.58 C ATOM 766 CG TYR A 848 -16.086 38.968 51.284 1.00 67.28 C ATOM 767 CD1 TYR A 848 -15.825 37.604 51.109 1.00 64.41 C ATOM 768 CD2 TYR A 848 -14.997 39.813 51.473 1.00 67.78 C ATOM 769 CE1 TYR A 848 -14.530 37.102 51.132 1.00 62.34 C ATOM 770 CE2 TYR A 848 -13.694 39.324 51.505 1.00 66.46 C ATOM 771 CZ TYR A 848 -13.466 37.960 51.335 1.00 65.50 C ATOM 772 OH TYR A 848 -12.187 37.442 51.358 1.00 63.55 O ATOM 773 HH TYR A 848 -11.651 37.856 50.636 1.00 0.00 H ATOM 774 H TYR A 848 -19.899 40.359 51.381 1.00 0.00 H ATOM 775 N LYS A 849 -18.451 40.759 54.263 1.00 81.48 N ATOM 776 CA LYS A 849 -17.909 41.473 55.438 1.00 85.72 C ATOM 777 C LYS A 849 -17.473 40.585 56.600 1.00 86.58 C ATOM 778 O LYS A 849 -16.395 40.818 57.146 1.00 86.26 O ATOM 779 CB LYS A 849 -18.898 42.535 55.944 1.00 91.60 C ATOM 780 CG LYS A 849 -18.306 43.603 56.853 1.00 96.38 C ATOM 781 CD LYS A 849 -19.215 44.838 56.892 1.00100.91 C ATOM 782 CE LYS A 849 -19.108 45.677 55.609 1.00101.72 C ATOM 783 NZ LYS A 849 -20.380 46.289 55.122 1.00104.15 N ATOM 784 HZ1 LYS A 849 -21.070 45.537 54.921 1.00 0.00 H ATOM 785 HZ2 LYS A 849 -20.760 46.924 55.853 1.00 0.00 H ATOM 786 HZ3 LYS A 849 -20.193 46.831 54.254 1.00 0.00 H ATOM 787 H LYS A 849 -19.356 41.078 53.862 1.00 0.00 H ATOM 788 N PRO A 850 -18.277 39.558 56.971 1.00 88.11 N ATOM 789 CA PRO A 850 -17.839 38.640 58.045 1.00 88.34 C ATOM 790 C PRO A 850 -16.520 37.905 57.768 1.00 85.41 C ATOM 791 O PRO A 850 -15.729 37.681 58.688 1.00 86.37 O ATOM 792 CB PRO A 850 -19.004 37.641 58.154 1.00 87.62 C ATOM 793 CG PRO A 850 -20.188 38.405 57.670 1.00 89.48 C ATOM 794 CD PRO A 850 -19.650 39.236 56.532 1.00 88.40 C ATOM 795 N PHE A 851 -16.286 37.551 56.508 1.00 81.36 N ATOM 796 CA PHE A 851 -15.084 36.815 56.124 1.00 77.15 C ATOM 797 C PHE A 851 -13.886 37.709 55.766 1.00 76.26 C ATOM 798 O PHE A 851 -12.782 37.211 55.680 1.00 73.20 O ATOM 799 CB PHE A 851 -15.428 35.836 55.001 1.00 73.25 C ATOM 800 CG PHE A 851 -16.487 34.846 55.390 1.00 73.74 C ATOM 801 CD1 PHE A 851 -16.169 33.729 56.171 1.00 72.87 C ATOM 802 CD2 PHE A 851 -17.817 35.042 55.017 1.00 74.16 C ATOM 803 CE1 PHE A 851 -17.152 32.819 56.552 1.00 73.12 C ATOM 804 CE2 PHE A 851 -18.804 34.132 55.388 1.00 74.53 C ATOM 805 CZ PHE A 851 -18.471 33.023 56.162 1.00 73.31 C ATOM 806 H PHE A 851 -16.978 37.805 55.775 1.00 0.00 H ATOM 807 N LYS A 852 -14.079 39.019 55.627 1.00 79.14 N ATOM 808 CA LYS A 852 -12.975 39.918 55.270 1.00 82.69 C ATOM 809 C LYS A 852 -11.878 40.008 56.339 1.00 86.26 C ATOM 810 O LYS A 852 -10.726 40.269 56.016 1.00 86.58 O ATOM 811 CB LYS A 852 -13.487 41.328 54.909 1.00 85.69 C ATOM 812 CG LYS A 852 -12.447 42.159 54.157 1.00 86.33 C ATOM 813 CD LYS A 852 -12.992 43.047 53.048 1.00 86.74 C ATOM 814 CE LYS A 852 -11.834 43.709 52.337 1.00 86.51 C ATOM 815 NZ LYS A 852 -12.255 44.300 51.044 1.00 86.91 N ATOM 816 HZ1 LYS A 852 -12.634 43.552 50.429 1.00 0.00 H ATOM 817 HZ2 LYS A 852 -12.990 45.016 51.214 1.00 0.00 H ATOM 818 HZ3 LYS A 852 -11.435 44.745 50.584 1.00 0.00 H ATOM 819 H LYS A 852 -15.030 39.413 55.774 1.00 0.00 H ATOM 820 N GLN A 853 -12.232 39.780 57.600 1.00 90.75 N ATOM 821 CA GLN A 853 -11.253 39.733 58.690 1.00 92.40 C ATOM 822 C GLN A 853 -10.606 38.329 58.817 1.00 90.16 C ATOM 823 O GLN A 853 -9.626 38.178 59.553 1.00 94.32 O ATOM 824 CB GLN A 853 -11.900 40.114 60.033 1.00 96.75 C ATOM 825 CG GLN A 853 -12.808 41.349 60.023 1.00 98.94 C ATOM 826 CD GLN A 853 -12.094 42.626 59.598 1.00101.49 C ATOM 827 OE1 GLN A 853 -11.294 43.179 60.355 1.00102.25 O ATOM 828 NE2 GLN A 853 -12.402 43.121 58.393 1.00 99.87 N ATOM 829 HE22 GLN A 853 -13.083 42.623 57.785 1.00 0.00 H ATOM 830 HE21 GLN A 853 -11.961 44.004 58.065 1.00 0.00 H ATOM 831 H GLN A 853 -13.237 39.630 57.821 1.00 0.00 H ATOM 832 N LEU A 854 -11.138 37.317 58.125 1.00 81.73 N ATOM 833 CA LEU A 854 -10.597 35.957 58.182 1.00 80.53 C ATOM 834 C LEU A 854 -9.213 35.887 57.529 1.00 78.73 C ATOM 835 O LEU A 854 -8.949 36.568 56.556 1.00 80.73 O ATOM 836 CB LEU A 854 -11.554 34.949 57.515 1.00 78.16 C ATOM 837 CG LEU A 854 -11.343 33.452 57.798 1.00 78.49 C ATOM 838 CD1 LEU A 854 -11.605 33.095 59.253 1.00 79.55 C ATOM 839 CD2 LEU A 854 -12.244 32.624 56.900 1.00 76.79 C ATOM 840 H LEU A 854 -11.966 37.502 57.524 1.00 0.00 H ATOM 841 N HIS A 855 -8.331 35.070 58.092 1.00 75.59 N ATOM 842 CA HIS A 855 -6.960 34.919 57.597 1.00 72.45 C ATOM 843 C HIS A 855 -6.938 34.037 56.351 1.00 67.60 C ATOM 844 O HIS A 855 -7.925 33.340 56.043 1.00 64.54 O ATOM 845 CB HIS A 855 -6.042 34.352 58.696 1.00 76.23 C ATOM 846 CG HIS A 855 -6.342 32.930 59.065 1.00 76.18 C ATOM 847 ND1 HIS A 855 -7.400 32.575 59.879 1.00 77.83 N ATOM 848 CD2 HIS A 855 -5.730 31.776 58.717 1.00 75.16 C ATOM 849 CE1 HIS A 855 -7.433 31.263 60.007 1.00 76.99 C ATOM 850 NE2 HIS A 855 -6.423 30.753 59.323 1.00 76.90 N ATOM 851 H HIS A 855 -8.626 34.513 58.920 1.00 0.00 H ATOM 852 N ASN A 856 -5.820 34.077 55.629 1.00 65.12 N ATOM 853 CA ASN A 856 -5.631 33.266 54.427 1.00 63.27 C ATOM 854 C ASN A 856 -6.696 33.582 53.349 1.00 61.76 C ATOM 855 O ASN A 856 -7.443 32.715 52.889 1.00 61.02 O ATOM 856 CB ASN A 856 -5.611 31.774 54.805 1.00 64.78 C ATOM 857 CG ASN A 856 -5.149 30.881 53.679 1.00 63.74 C ATOM 858 OD1 ASN A 856 -4.326 31.265 52.840 1.00 68.24 O ATOM 859 ND2 ASN A 856 -5.692 29.676 53.646 1.00 64.02 N ATOM 860 HD22 ASN A 856 -6.381 29.396 54.373 1.00 0.00 H ATOM 861 HD21 ASN A 856 -5.431 29.008 52.893 1.00 0.00 H ATOM 862 H ASN A 856 -5.052 34.709 55.932 1.00 0.00 H ATOM 863 N ARG A 857 -6.769 34.848 52.963 1.00 60.98 N ATOM 864 CA ARG A 857 -7.579 35.271 51.835 1.00 60.10 C ATOM 865 C ARG A 857 -6.677 35.249 50.602 1.00 58.21 C ATOM 866 O ARG A 857 -5.528 35.678 50.669 1.00 60.69 O ATOM 867 CB ARG A 857 -8.194 36.637 52.101 1.00 64.22 C ATOM 868 CG ARG A 857 -8.944 36.646 53.431 1.00 68.74 C ATOM 869 CD ARG A 857 -9.783 37.876 53.698 1.00 73.04 C ATOM 870 NE ARG A 857 -9.118 39.104 53.293 1.00 78.68 N ATOM 871 CZ ARG A 857 -8.095 39.665 53.922 1.00 82.95 C ATOM 872 NH1 ARG A 857 -7.574 39.123 55.018 1.00 87.46 N ATOM 873 NH2 ARG A 857 -7.573 40.775 53.438 1.00 87.20 N ATOM 874 HE ARG A 857 -9.474 39.581 52.440 1.00 0.00 H ATOM 875 HH12 ARG A 857 -6.771 39.582 55.494 1.00 0.00 H ATOM 876 HH11 ARG A 857 -7.969 38.240 55.400 1.00 0.00 H ATOM 877 HH22 ARG A 857 -6.770 41.226 53.921 1.00 0.00 H ATOM 878 HH21 ARG A 857 -7.964 41.200 52.573 1.00 0.00 H ATOM 879 H ARG A 857 -6.226 35.564 53.487 1.00 0.00 H ATOM 880 N ARG A 858 -7.177 34.696 49.500 1.00 54.52 N ATOM 881 CA ARG A 858 -6.381 34.497 48.295 1.00 54.25 C ATOM 882 C ARG A 858 -7.133 34.895 47.049 1.00 52.32 C ATOM 883 O ARG A 858 -8.350 34.700 46.963 1.00 49.18 O ATOM 884 CB ARG A 858 -6.002 33.027 48.136 1.00 57.29 C ATOM 885 CG ARG A 858 -4.846 32.610 48.976 1.00 62.79 C ATOM 886 CD ARG A 858 -4.275 31.314 48.441 1.00 64.28 C ATOM 887 NE ARG A 858 -3.087 30.953 49.193 1.00 72.05 N ATOM 888 CZ ARG A 858 -2.010 30.335 48.687 1.00 78.34 C ATOM 889 NH1 ARG A 858 -1.946 29.953 47.408 1.00 78.98 N ATOM 890 NH2 ARG A 858 -0.966 30.088 49.474 1.00 84.81 N ATOM 891 HE ARG A 858 -3.070 31.193 50.205 1.00 0.00 H ATOM 892 HH12 ARG A 858 -1.094 29.476 47.050 1.00 0.00 H ATOM 893 HH11 ARG A 858 -2.748 30.133 46.771 1.00 0.00 H ATOM 894 HH22 ARG A 858 -0.127 29.609 49.089 1.00 0.00 H ATOM 895 HH21 ARG A 858 -0.989 30.374 50.474 1.00 0.00 H ATOM 896 H ARG A 858 -8.172 34.395 49.498 1.00 0.00 H ATOM 897 N LEU A 859 -6.391 35.415 46.080 1.00 51.66 N ATOM 898 CA LEU A 859 -6.936 35.784 44.784 1.00 52.51 C ATOM 899 C LEU A 859 -6.762 34.595 43.846 1.00 49.23 C ATOM 900 O LEU A 859 -5.638 34.232 43.503 1.00 51.54 O ATOM 901 CB LEU A 859 -6.200 37.011 44.243 1.00 55.10 C ATOM 902 CG LEU A 859 -6.850 37.743 43.063 1.00 55.33 C ATOM 903 CD1 LEU A 859 -8.149 38.414 43.496 1.00 56.01 C ATOM 904 CD2 LEU A 859 -5.881 38.769 42.512 1.00 57.42 C ATOM 905 H LEU A 859 -5.377 35.565 46.255 1.00 0.00 H ATOM 906 N LEU A 860 -7.864 33.985 43.444 1.00 45.74 N ATOM 907 CA LEU A 860 -7.818 32.722 42.733 1.00 46.70 C ATOM 908 C LEU A 860 -8.742 32.747 41.497 1.00 47.07 C ATOM 909 O LEU A 860 -9.669 33.561 41.408 1.00 46.77 O ATOM 910 CB LEU A 860 -8.229 31.577 43.679 1.00 46.78 C ATOM 911 CG LEU A 860 -7.458 31.354 45.001 1.00 47.45 C ATOM 912 CD1 LEU A 860 -8.126 30.256 45.839 1.00 47.95 C ATOM 913 CD2 LEU A 860 -6.010 30.978 44.743 1.00 46.81 C ATOM 914 H LEU A 860 -8.787 34.422 43.643 1.00 0.00 H ATOM 915 N TRP A 861 -8.476 31.821 40.574 1.00 47.28 N ATOM 916 CA TRP A 861 -9.158 31.738 39.304 1.00 48.18 C ATOM 917 C TRP A 861 -10.406 30.897 39.364 1.00 49.00 C ATOM 918 O TRP A 861 -10.414 29.869 40.042 1.00 49.41 O ATOM 919 CB TRP A 861 -8.251 31.100 38.245 1.00 49.73 C ATOM 920 CG TRP A 861 -6.976 31.807 37.993 1.00 51.25 C ATOM 921 CD1 TRP A 861 -5.743 31.414 38.399 1.00 51.98 C ATOM 922 CD2 TRP A 861 -6.795 33.028 37.264 1.00 51.86 C ATOM 923 NE1 TRP A 861 -4.798 32.317 37.983 1.00 54.82 N ATOM 924 CE2 TRP A 861 -5.414 33.321 37.289 1.00 53.05 C ATOM 925 CE3 TRP A 861 -7.668 33.908 36.611 1.00 52.86 C ATOM 926 CZ2 TRP A 861 -4.870 34.447 36.661 1.00 55.93 C ATOM 927 CZ3 TRP A 861 -7.136 35.035 35.987 1.00 54.77 C ATOM 928 CH2 TRP A 861 -5.740 35.289 36.015 1.00 56.42 C ATOM 929 HE1 TRP A 861 -3.777 32.249 38.166 1.00 0.00 H ATOM 930 H TRP A 861 -7.736 31.120 40.781 1.00 0.00 H ATOM 931 N HIS A 862 -11.439 31.312 38.618 1.00 49.50 N ATOM 932 CA HIS A 862 -12.601 30.475 38.344 1.00 50.09 C ATOM 933 C HIS A 862 -13.061 30.677 36.897 1.00 52.28 C ATOM 934 O HIS A 862 -13.496 31.768 36.523 1.00 50.73 O ATOM 935 CB HIS A 862 -13.765 30.767 39.283 1.00 50.16 C ATOM 936 CG HIS A 862 -14.962 29.902 39.030 1.00 50.94 C ATOM 937 ND1 HIS A 862 -15.188 28.724 39.706 1.00 50.95 N ATOM 938 CD2 HIS A 862 -15.986 30.033 38.153 1.00 53.66 C ATOM 939 CE1 HIS A 862 -16.303 28.166 39.257 1.00 53.43 C ATOM 940 NE2 HIS A 862 -16.809 28.939 38.313 1.00 53.00 N ATOM 941 H HIS A 862 -11.411 32.271 38.218 1.00 0.00 H ATOM 942 N GLY A 863 -12.988 29.613 36.106 1.00 52.95 N ATOM 943 CA GLY A 863 -13.390 29.648 34.731 1.00 55.47 C ATOM 944 C GLY A 863 -14.771 29.068 34.596 1.00 57.08 C ATOM 945 O GLY A 863 -15.174 28.234 35.391 1.00 57.39 O ATOM 946 H GLY A 863 -12.626 28.721 36.499 1.00 0.00 H ATOM 947 N SER A 864 -15.495 29.535 33.578 1.00 56.49 N ATOM 948 CA SER A 864 -16.830 29.042 33.266 1.00 58.07 C ATOM 949 C SER A 864 -17.170 29.380 31.813 1.00 60.25 C ATOM 950 O SER A 864 -16.538 30.225 31.190 1.00 58.80 O ATOM 951 CB SER A 864 -17.862 29.662 34.213 1.00 57.42 C ATOM 952 OG SER A 864 -19.091 28.958 34.177 1.00 59.21 O ATOM 953 HG SER A 864 -18.940 28.018 34.450 1.00 0.00 H ATOM 954 H SER A 864 -15.089 30.284 32.981 1.00 0.00 H ATOM 955 N ARG A 865 -18.175 28.705 31.295 1.00 63.80 N ATOM 956 CA ARG A 865 -18.736 29.010 29.986 1.00 67.04 C ATOM 957 C ARG A 865 -19.220 30.450 29.921 1.00 68.42 C ATOM 958 O ARG A 865 -19.782 30.967 30.898 1.00 68.89 O ATOM 959 CB ARG A 865 -19.863 28.066 29.631 1.00 69.48 C ATOM 960 CG ARG A 865 -19.407 26.632 29.388 1.00 72.15 C ATOM 961 CD ARG A 865 -20.596 25.722 29.237 1.00 75.00 C ATOM 962 NE ARG A 865 -20.192 24.332 29.176 1.00 78.29 N ATOM 963 CZ ARG A 865 -19.866 23.662 28.065 1.00 85.29 C ATOM 964 NH1 ARG A 865 -19.848 24.268 26.872 1.00 87.39 N ATOM 965 NH2 ARG A 865 -19.580 22.359 28.126 1.00 88.45 N ATOM 966 HE ARG A 865 -20.152 23.810 30.074 1.00 0.00 H ATOM 967 HH12 ARG A 865 -19.592 23.730 26.019 1.00 0.00 H ATOM 968 HH11 ARG A 865 -20.090 25.277 26.797 1.00 0.00 H ATOM 969 HH22 ARG A 865 -19.327 21.841 27.260 1.00 0.00 H ATOM 970 HH21 ARG A 865 -19.610 21.862 29.039 1.00 0.00 H ATOM 971 H ARG A 865 -18.585 27.922 31.843 1.00 0.00 H ATOM 972 N THR A 866 -18.977 31.099 28.781 1.00 68.44 N ATOM 973 CA THR A 866 -19.441 32.468 28.539 1.00 68.62 C ATOM 974 C THR A 866 -20.947 32.626 28.791 1.00 70.27 C ATOM 975 O THR A 866 -21.370 33.636 29.363 1.00 72.61 O ATOM 976 CB THR A 866 -19.037 32.923 27.134 1.00 68.34 C ATOM 977 OG1 THR A 866 -17.610 32.984 27.089 1.00 64.24 O ATOM 978 CG2 THR A 866 -19.585 34.318 26.791 1.00 70.31 C ATOM 979 HG1 THR A 866 -17.322 33.277 26.188 1.00 0.00 H ATOM 980 H THR A 866 -18.438 30.615 28.035 1.00 0.00 H ATOM 981 N THR A 867 -21.729 31.613 28.423 1.00 70.77 N ATOM 982 CA THR A 867 -23.183 31.624 28.670 1.00 72.10 C ATOM 983 C THR A 867 -23.605 31.699 30.151 1.00 71.06 C ATOM 984 O THR A 867 -24.697 32.164 30.454 1.00 72.05 O ATOM 985 CB THR A 867 -23.878 30.432 27.986 1.00 73.42 C ATOM 986 OG1 THR A 867 -23.184 29.223 28.317 1.00 68.94 O ATOM 987 CG2 THR A 867 -23.907 30.662 26.435 1.00 76.23 C ATOM 988 HG1 THR A 867 -23.631 28.457 27.877 1.00 0.00 H ATOM 989 H THR A 867 -21.303 30.792 27.948 1.00 0.00 H ATOM 990 N ASN A 868 -22.738 31.275 31.075 1.00 68.28 N ATOM 991 CA ASN A 868 -23.060 31.357 32.506 1.00 66.39 C ATOM 992 C ASN A 868 -22.800 32.734 33.121 1.00 67.04 C ATOM 993 O ASN A 868 -23.226 32.978 34.248 1.00 68.93 O ATOM 994 CB ASN A 868 -22.293 30.312 33.311 1.00 63.15 C ATOM 995 CG ASN A 868 -22.556 28.892 32.862 1.00 62.45 C ATOM 996 OD1 ASN A 868 -23.621 28.573 32.366 1.00 67.16 O ATOM 997 ND2 ASN A 868 -21.570 28.028 33.044 1.00 60.97 N ATOM 998 HD22 ASN A 868 -20.676 28.342 33.472 1.00 0.00 H ATOM 999 HD21 ASN A 868 -21.690 27.035 32.759 1.00 0.00 H ATOM 1000 H ASN A 868 -21.823 30.881 30.777 1.00 0.00 H ATOM 1001 N PHE A 869 -22.123 33.637 32.410 1.00 67.08 N ATOM 1002 CA PHE A 869 -21.682 34.889 33.049 1.00 67.65 C ATOM 1003 C PHE A 869 -22.742 35.933 33.352 1.00 69.93 C ATOM 1004 O PHE A 869 -22.508 36.768 34.229 1.00 70.33 O ATOM 1005 CB PHE A 869 -20.504 35.505 32.311 1.00 67.75 C ATOM 1006 CG PHE A 869 -19.198 34.937 32.757 1.00 64.21 C ATOM 1007 CD1 PHE A 869 -18.491 35.548 33.780 1.00 62.31 C ATOM 1008 CD2 PHE A 869 -18.719 33.762 32.202 1.00 63.12 C ATOM 1009 CE1 PHE A 869 -17.292 35.025 34.221 1.00 60.17 C ATOM 1010 CE2 PHE A 869 -17.516 33.223 32.644 1.00 60.48 C ATOM 1011 CZ PHE A 869 -16.793 33.865 33.651 1.00 58.82 C ATOM 1012 H PHE A 869 -21.907 33.458 31.408 1.00 0.00 H ATOM 1013 N ALA A 870 -23.891 35.887 32.669 1.00 72.80 N ATOM 1014 CA ALA A 870 -25.030 36.735 33.050 1.00 73.98 C ATOM 1015 C ALA A 870 -25.512 36.342 34.456 1.00 74.08 C ATOM 1016 O ALA A 870 -25.647 37.213 35.323 1.00 75.28 O ATOM 1017 CB ALA A 870 -26.163 36.637 32.043 1.00 76.44 C ATOM 1018 H ALA A 870 -23.980 35.243 31.857 1.00 0.00 H ATOM 1019 N GLY A 871 -25.757 35.047 34.680 1.00 71.63 N ATOM 1020 CA GLY A 871 -26.141 34.566 35.996 1.00 70.50 C ATOM 1021 C GLY A 871 -25.061 34.814 37.042 1.00 69.07 C ATOM 1022 O GLY A 871 -25.343 35.307 38.136 1.00 70.64 O ATOM 1023 H GLY A 871 -25.671 34.370 33.896 1.00 0.00 H ATOM 1024 N ILE A 872 -23.815 34.506 36.702 1.00 65.49 N ATOM 1025 CA ILE A 872 -22.714 34.668 37.649 1.00 63.45 C ATOM 1026 C ILE A 872 -22.584 36.102 38.156 1.00 66.62 C ATOM 1027 O ILE A 872 -22.459 36.290 39.363 1.00 67.15 O ATOM 1028 CB ILE A 872 -21.368 34.164 37.089 1.00 60.87 C ATOM 1029 CG1 ILE A 872 -21.407 32.626 36.959 1.00 60.38 C ATOM 1030 CG2 ILE A 872 -20.217 34.552 38.011 1.00 58.56 C ATOM 1031 CD1 ILE A 872 -20.290 32.019 36.148 1.00 59.72 C ATOM 1032 H ILE A 872 -23.620 34.144 35.747 1.00 0.00 H ATOM 1033 N LEU A 873 -22.619 37.097 37.269 1.00 67.75 N ATOM 1034 CA LEU A 873 -22.422 38.495 37.703 1.00 70.14 C ATOM 1035 C LEU A 873 -23.621 39.079 38.441 1.00 74.17 C ATOM 1036 O LEU A 873 -23.444 39.895 39.347 1.00 75.29 O ATOM 1037 CB LEU A 873 -22.046 39.409 36.531 1.00 71.70 C ATOM 1038 CG LEU A 873 -20.690 39.133 35.886 1.00 70.31 C ATOM 1039 CD1 LEU A 873 -20.608 39.865 34.571 1.00 72.59 C ATOM 1040 CD2 LEU A 873 -19.527 39.529 36.774 1.00 67.80 C ATOM 1041 H LEU A 873 -22.786 36.887 36.264 1.00 0.00 H ATOM 1042 N SER A 874 -24.832 38.677 38.055 1.00 77.70 N ATOM 1043 CA SER A 874 -26.060 39.155 38.724 1.00 80.16 C ATOM 1044 C SER A 874 -26.293 38.449 40.056 1.00 79.74 C ATOM 1045 O SER A 874 -26.655 39.103 41.023 1.00 80.89 O ATOM 1046 CB SER A 874 -27.291 39.034 37.815 1.00 81.46 C ATOM 1047 OG SER A 874 -27.506 37.697 37.412 1.00 81.62 O ATOM 1048 HG SER A 874 -26.714 37.372 36.914 1.00 0.00 H ATOM 1049 H SER A 874 -24.915 38.009 37.262 1.00 0.00 H ATOM 1050 N GLN A 875 -26.057 37.136 40.106 1.00 79.17 N ATOM 1051 CA GLN A 875 -26.334 36.321 41.297 1.00 79.81 C ATOM 1052 C GLN A 875 -25.113 35.959 42.145 1.00 74.77 C ATOM 1053 O GLN A 875 -25.281 35.532 43.277 1.00 72.80 O ATOM 1054 CB GLN A 875 -27.030 35.022 40.894 1.00 84.22 C ATOM 1055 CG GLN A 875 -28.343 35.232 40.152 1.00 92.19 C ATOM 1056 CD GLN A 875 -28.866 33.968 39.500 1.00 99.57 C ATOM 1057 OE1 GLN A 875 -28.677 32.879 40.020 1.00102.77 O ATOM 1058 NE2 GLN A 875 -29.565 34.122 38.362 1.00105.67 N ATOM 1059 HE22 GLN A 875 -29.699 35.071 37.958 1.00 0.00 H ATOM 1060 HE21 GLN A 875 -29.972 33.292 37.885 1.00 0.00 H ATOM 1061 H GLN A 875 -25.660 36.670 39.266 1.00 0.00 H ATOM 1062 N GLY A 876 -23.900 36.119 41.612 1.00 71.04 N ATOM 1063 CA GLY A 876 -22.681 35.630 42.275 1.00 67.65 C ATOM 1064 C GLY A 876 -22.413 34.169 41.965 1.00 65.41 C ATOM 1065 O GLY A 876 -23.296 33.476 41.417 1.00 63.72 O ATOM 1066 H GLY A 876 -23.813 36.606 40.697 1.00 0.00 H ATOM 1067 N LEU A 877 -21.198 33.685 42.282 1.00 62.68 N ATOM 1068 CA LEU A 877 -20.917 32.266 42.169 1.00 60.93 C ATOM 1069 C LEU A 877 -21.770 31.498 43.172 1.00 62.28 C ATOM 1070 O LEU A 877 -21.763 31.794 44.365 1.00 62.25 O ATOM 1071 CB LEU A 877 -19.430 31.943 42.415 1.00 58.00 C ATOM 1072 CG LEU A 877 -18.485 32.330 41.285 1.00 55.99 C ATOM 1073 CD1 LEU A 877 -17.047 32.098 41.708 1.00 54.06 C ATOM 1074 CD2 LEU A 877 -18.809 31.549 40.034 1.00 56.19 C ATOM 1075 H LEU A 877 -20.454 34.333 42.611 1.00 0.00 H ATOM 1076 N ARG A 878 -22.511 30.519 42.662 1.00 65.83 N ATOM 1077 CA ARG A 878 -23.344 29.663 43.476 1.00 69.93 C ATOM 1078 C ARG A 878 -22.830 28.244 43.475 1.00 66.65 C ATOM 1079 O ARG A 878 -22.084 27.841 42.573 1.00 64.19 O ATOM 1080 CB ARG A 878 -24.795 29.725 43.003 1.00 76.27 C ATOM 1081 CG ARG A 878 -25.456 31.069 43.289 1.00 82.97 C ATOM 1082 CD ARG A 878 -26.969 30.976 43.151 1.00 91.55 C ATOM 1083 NE ARG A 878 -27.328 30.755 41.745 1.00 98.73 N ATOM 1084 CZ ARG A 878 -28.296 29.958 41.282 1.00104.47 C ATOM 1085 NH1 ARG A 878 -29.081 29.258 42.100 1.00108.74 N ATOM 1086 NH2 ARG A 878 -28.510 29.897 39.962 1.00104.89 N ATOM 1087 HE ARG A 878 -26.771 31.272 41.035 1.00 0.00 H ATOM 1088 HH12 ARG A 878 -29.826 28.646 41.709 1.00 0.00 H ATOM 1089 HH11 ARG A 878 -28.949 29.323 43.130 1.00 0.00 H ATOM 1090 HH22 ARG A 878 -29.259 29.282 39.585 1.00 0.00 H ATOM 1091 HH21 ARG A 878 -27.927 30.464 39.314 1.00 0.00 H ATOM 1092 H ARG A 878 -22.490 30.362 41.634 1.00 0.00 H ATOM 1093 N ILE A 879 -23.267 27.489 44.486 1.00 68.50 N ATOM 1094 CA ILE A 879 -22.974 26.081 44.610 1.00 68.52 C ATOM 1095 C ILE A 879 -24.012 25.381 43.761 1.00 70.77 C ATOM 1096 O ILE A 879 -25.191 25.739 43.810 1.00 73.72 O ATOM 1097 CB ILE A 879 -23.099 25.602 46.073 1.00 72.23 C ATOM 1098 CG1 ILE A 879 -22.082 26.362 46.939 1.00 72.62 C ATOM 1099 CG2 ILE A 879 -22.889 24.065 46.171 1.00 74.71 C ATOM 1100 CD1 ILE A 879 -22.215 26.195 48.433 1.00 74.32 C ATOM 1101 H ILE A 879 -23.848 27.939 45.222 1.00 0.00 H ATOM 1102 N ALA A 880 -23.583 24.394 42.984 1.00 71.99 N ATOM 1103 CA ALA A 880 -24.479 23.785 42.008 1.00 75.77 C ATOM 1104 C ALA A 880 -25.711 23.228 42.708 1.00 78.06 C ATOM 1105 O ALA A 880 -25.617 22.818 43.883 1.00 78.90 O ATOM 1106 CB ALA A 880 -23.758 22.700 41.240 1.00 76.29 C ATOM 1107 H ALA A 880 -22.604 24.054 43.072 1.00 0.00 H ATOM 1108 N PRO A 881 -26.875 23.232 42.028 1.00 79.82 N ATOM 1109 CA PRO A 881 -28.122 22.898 42.740 1.00 85.99 C ATOM 1110 C PRO A 881 -28.144 21.457 43.263 1.00 88.68 C ATOM 1111 O PRO A 881 -27.300 20.659 42.837 1.00 87.88 O ATOM 1112 CB PRO A 881 -29.222 23.116 41.670 1.00 87.13 C ATOM 1113 CG PRO A 881 -28.527 23.143 40.349 1.00 85.12 C ATOM 1114 CD PRO A 881 -27.093 23.521 40.595 1.00 81.89 C ATOM 1115 N PRO A 882 -29.059 21.125 44.203 1.00 92.98 N ATOM 1116 CA PRO A 882 -29.244 19.723 44.653 1.00 95.04 C ATOM 1117 C PRO A 882 -29.431 18.700 43.527 1.00 94.83 C ATOM 1118 O PRO A 882 -29.007 17.564 43.669 1.00 95.21 O ATOM 1119 CB PRO A 882 -30.511 19.799 45.518 1.00 98.19 C ATOM 1120 CG PRO A 882 -30.436 21.160 46.113 1.00 98.28 C ATOM 1121 CD PRO A 882 -29.847 22.056 45.028 1.00 95.03 C ATOM 1122 N GLU A 883 -30.059 19.123 42.430 1.00 95.28 N ATOM 1123 CA GLU A 883 -30.333 18.276 41.268 1.00 97.58 C ATOM 1124 C GLU A 883 -29.081 17.875 40.462 1.00 92.24 C ATOM 1125 O GLU A 883 -29.107 16.880 39.767 1.00 97.01 O ATOM 1126 CB GLU A 883 -31.330 19.000 40.358 1.00102.10 C ATOM 1127 CG GLU A 883 -31.919 18.112 39.281 1.00107.54 C ATOM 1128 CD GLU A 883 -32.713 18.865 38.254 1.00110.38 C ATOM 1129 OE1 GLU A 883 -32.179 19.864 37.722 1.00111.31 O ATOM 1130 OE2 GLU A 883 -33.853 18.440 37.928 1.00112.80 O ATOM 1131 H GLU A 883 -30.373 20.114 42.398 1.00 0.00 H ATOM 1132 N ALA A 884 -27.999 18.650 40.541 1.00 86.40 N ATOM 1133 CA ALA A 884 -26.737 18.311 39.848 1.00 82.60 C ATOM 1134 C ALA A 884 -26.080 17.058 40.451 1.00 81.72 C ATOM 1135 O ALA A 884 -26.259 16.794 41.635 1.00 79.58 O ATOM 1136 CB ALA A 884 -25.769 19.473 39.886 1.00 77.61 C ATOM 1137 H ALA A 884 -28.044 19.521 41.108 1.00 0.00 H ATOM 1138 N PRO A 885 -25.322 16.279 39.638 1.00 81.42 N ATOM 1139 CA PRO A 885 -24.861 14.984 40.139 1.00 81.03 C ATOM 1140 C PRO A 885 -23.651 15.104 41.076 1.00 76.12 C ATOM 1141 O PRO A 885 -22.669 15.813 40.756 1.00 75.31 O ATOM 1142 CB PRO A 885 -24.517 14.199 38.863 1.00 84.03 C ATOM 1143 CG PRO A 885 -24.711 15.141 37.715 1.00 84.67 C ATOM 1144 CD PRO A 885 -24.809 16.533 38.285 1.00 82.14 C ATOM 1145 N VAL A 886 -23.725 14.425 42.225 1.00 73.14 N ATOM 1146 CA VAL A 886 -22.660 14.504 43.246 1.00 69.92 C ATOM 1147 C VAL A 886 -21.383 13.744 42.842 1.00 67.53 C ATOM 1148 O VAL A 886 -20.291 14.110 43.254 1.00 62.43 O ATOM 1149 CB VAL A 886 -23.174 14.233 44.691 1.00 72.83 C ATOM 1150 CG1 VAL A 886 -22.918 12.801 45.166 1.00 74.12 C ATOM 1151 CG2 VAL A 886 -22.489 15.203 45.652 1.00 69.75 C ATOM 1152 H VAL A 886 -24.555 13.825 42.405 1.00 0.00 H ATOM 1153 N THR A 887 -21.503 12.780 41.929 1.00 69.79 N ATOM 1154 CA THR A 887 -20.383 11.997 41.426 1.00 69.50 C ATOM 1155 C THR A 887 -19.309 12.717 40.560 1.00 67.55 C ATOM 1156 O THR A 887 -18.169 12.268 40.505 1.00 65.89 O ATOM 1157 CB THR A 887 -20.925 10.773 40.676 1.00 72.62 C ATOM 1158 OG1 THR A 887 -21.956 11.181 39.778 1.00 72.63 O ATOM 1159 CG2 THR A 887 -21.482 9.756 41.675 1.00 74.92 C ATOM 1160 HG1 THR A 887 -22.304 10.390 39.295 1.00 0.00 H ATOM 1161 H THR A 887 -22.451 12.575 41.554 1.00 0.00 H ATOM 1162 N GLY A 888 -19.634 13.839 39.923 1.00 68.84 N ATOM 1163 CA GLY A 888 -18.670 14.573 39.069 1.00 68.30 C ATOM 1164 C GLY A 888 -17.790 15.604 39.774 1.00 66.67 C ATOM 1165 O GLY A 888 -17.251 16.522 39.137 1.00 68.59 O ATOM 1166 H GLY A 888 -20.598 14.214 40.028 1.00 0.00 H ATOM 1167 N TYR A 889 -17.614 15.431 41.081 1.00 64.87 N ATOM 1168 CA TYR A 889 -16.943 16.371 41.961 1.00 61.25 C ATOM 1169 C TYR A 889 -15.773 15.711 42.647 1.00 60.72 C ATOM 1170 O TYR A 889 -15.892 14.650 43.226 1.00 61.54 O ATOM 1171 CB TYR A 889 -17.919 16.873 43.017 1.00 60.47 C ATOM 1172 CG TYR A 889 -18.929 17.813 42.447 1.00 60.34 C ATOM 1173 CD1 TYR A 889 -20.241 17.446 42.250 1.00 61.84 C ATOM 1174 CD2 TYR A 889 -18.544 19.090 42.077 1.00 60.36 C ATOM 1175 CE1 TYR A 889 -21.164 18.327 41.701 1.00 64.29 C ATOM 1176 CE2 TYR A 889 -19.438 19.988 41.532 1.00 61.16 C ATOM 1177 CZ TYR A 889 -20.746 19.614 41.363 1.00 63.63 C ATOM 1178 OH TYR A 889 -21.600 20.518 40.783 1.00 69.70 O ATOM 1179 HH TYR A 889 -21.634 21.339 41.335 1.00 0.00 H ATOM 1180 H TYR A 889 -17.985 14.557 41.505 1.00 0.00 H ATOM 1181 N MET A 890 -14.637 16.375 42.587 1.00 61.59 N ATOM 1182 CA MET A 890 -13.441 15.919 43.280 1.00 63.86 C ATOM 1183 C MET A 890 -13.612 16.021 44.818 1.00 58.64 C ATOM 1184 O MET A 890 -13.177 15.114 45.528 1.00 58.58 O ATOM 1185 CB MET A 890 -12.245 16.756 42.819 1.00 67.04 C ATOM 1186 CG MET A 890 -10.899 16.038 42.893 1.00 72.33 C ATOM 1187 SD MET A 890 -10.629 14.861 41.564 1.00 72.73 S ATOM 1188 CE MET A 890 -11.365 15.653 40.139 1.00 75.49 C ATOM 1189 H MET A 890 -14.593 17.251 42.028 1.00 0.00 H ATOM 1190 N PHE A 891 -14.243 17.099 45.301 1.00 54.16 N ATOM 1191 CA PHE A 891 -14.337 17.405 46.732 1.00 53.02 C ATOM 1192 C PHE A 891 -15.722 17.947 47.126 1.00 53.81 C ATOM 1193 O PHE A 891 -15.826 18.952 47.850 1.00 55.31 O ATOM 1194 CB PHE A 891 -13.263 18.438 47.112 1.00 50.54 C ATOM 1195 CG PHE A 891 -11.858 17.932 46.960 1.00 49.36 C ATOM 1196 CD1 PHE A 891 -11.315 17.073 47.914 1.00 49.91 C ATOM 1197 CD2 PHE A 891 -11.087 18.295 45.857 1.00 49.16 C ATOM 1198 CE1 PHE A 891 -10.025 16.597 47.770 1.00 49.87 C ATOM 1199 CE2 PHE A 891 -9.812 17.810 45.714 1.00 49.80 C ATOM 1200 CZ PHE A 891 -9.270 16.975 46.672 1.00 49.52 C ATOM 1201 H PHE A 891 -14.689 17.753 44.626 1.00 0.00 H ATOM 1202 N GLY A 892 -16.776 17.329 46.607 1.00 55.52 N ATOM 1203 CA GLY A 892 -18.155 17.696 46.934 1.00 56.29 C ATOM 1204 C GLY A 892 -18.683 18.931 46.244 1.00 55.88 C ATOM 1205 O GLY A 892 -17.996 19.563 45.465 1.00 57.60 O ATOM 1206 H GLY A 892 -16.615 16.549 45.938 1.00 0.00 H ATOM 1207 N LYS A 893 -19.919 19.283 46.564 1.00 58.08 N ATOM 1208 CA LYS A 893 -20.561 20.453 46.002 1.00 60.20 C ATOM 1209 C LYS A 893 -20.101 21.707 46.727 1.00 61.00 C ATOM 1210 O LYS A 893 -20.609 22.054 47.795 1.00 67.22 O ATOM 1211 CB LYS A 893 -22.085 20.348 46.045 1.00 61.06 C ATOM 1212 CG LYS A 893 -22.592 19.333 45.055 1.00 63.38 C ATOM 1213 CD LYS A 893 -24.084 19.464 44.799 1.00 66.07 C ATOM 1214 CE LYS A 893 -24.540 18.455 43.766 1.00 67.47 C ATOM 1215 NZ LYS A 893 -26.014 18.228 43.808 1.00 72.29 N ATOM 1216 HZ1 LYS A 893 -26.282 17.871 44.747 1.00 0.00 H ATOM 1217 HZ2 LYS A 893 -26.507 19.125 43.623 1.00 0.00 H ATOM 1218 HZ3 LYS A 893 -26.277 17.530 43.083 1.00 0.00 H ATOM 1219 H LYS A 893 -20.447 18.698 47.243 1.00 0.00 H ATOM 1220 N GLY A 894 -19.126 22.377 46.123 1.00 57.05 N ATOM 1221 CA GLY A 894 -18.688 23.686 46.575 1.00 56.15 C ATOM 1222 C GLY A 894 -18.436 24.581 45.385 1.00 54.84 C ATOM 1223 O GLY A 894 -18.886 24.300 44.283 1.00 54.68 O ATOM 1224 H GLY A 894 -18.660 21.949 45.298 1.00 0.00 H ATOM 1225 N ILE A 895 -17.718 25.671 45.632 1.00 55.67 N ATOM 1226 CA ILE A 895 -17.276 26.578 44.589 1.00 55.43 C ATOM 1227 C ILE A 895 -15.780 26.329 44.448 1.00 53.72 C ATOM 1228 O ILE A 895 -15.031 26.482 45.431 1.00 52.92 O ATOM 1229 CB ILE A 895 -17.550 28.023 44.960 1.00 57.88 C ATOM 1230 CG1 ILE A 895 -19.012 28.172 45.345 1.00 60.99 C ATOM 1231 CG2 ILE A 895 -17.202 28.966 43.786 1.00 58.91 C ATOM 1232 CD1 ILE A 895 -19.486 29.603 45.525 1.00 63.81 C ATOM 1233 H ILE A 895 -17.461 25.884 46.617 1.00 0.00 H ATOM 1234 N TYR A 896 -15.366 25.926 43.244 1.00 49.17 N ATOM 1235 CA TYR A 896 -14.003 25.519 42.974 1.00 48.61 C ATOM 1236 C TYR A 896 -13.182 26.642 42.351 1.00 48.96 C ATOM 1237 O TYR A 896 -13.661 27.364 41.454 1.00 49.81 O ATOM 1238 CB TYR A 896 -13.972 24.330 42.042 1.00 50.60 C ATOM 1239 CG TYR A 896 -14.418 23.055 42.690 1.00 49.76 C ATOM 1240 CD1 TYR A 896 -15.748 22.800 42.916 1.00 51.67 C ATOM 1241 CD2 TYR A 896 -13.491 22.089 43.054 1.00 50.51 C ATOM 1242 CE1 TYR A 896 -16.164 21.612 43.495 1.00 54.81 C ATOM 1243 CE2 TYR A 896 -13.895 20.884 43.626 1.00 53.65 C ATOM 1244 CZ TYR A 896 -15.221 20.649 43.857 1.00 53.85 C ATOM 1245 OH TYR A 896 -15.605 19.468 44.429 1.00 54.25 O ATOM 1246 HH TYR A 896 -16.590 19.455 44.527 1.00 0.00 H ATOM 1247 H TYR A 896 -16.054 25.903 42.465 1.00 0.00 H ATOM 1248 N PHE A 897 -11.929 26.748 42.832 1.00 48.83 N ATOM 1249 CA PHE A 897 -10.941 27.699 42.359 1.00 47.85 C ATOM 1250 C PHE A 897 -9.608 27.006 42.119 1.00 50.72 C ATOM 1251 O PHE A 897 -9.338 25.910 42.661 1.00 51.17 O ATOM 1252 CB PHE A 897 -10.741 28.814 43.370 1.00 49.82 C ATOM 1253 CG PHE A 897 -11.989 29.605 43.658 1.00 50.97 C ATOM 1254 CD1 PHE A 897 -12.856 29.200 44.642 1.00 50.64 C ATOM 1255 CD2 PHE A 897 -12.288 30.753 42.927 1.00 50.31 C ATOM 1256 CE1 PHE A 897 -14.026 29.903 44.879 1.00 51.66 C ATOM 1257 CE2 PHE A 897 -13.422 31.475 43.179 1.00 50.20 C ATOM 1258 CZ PHE A 897 -14.303 31.048 44.153 1.00 51.57 C ATOM 1259 H PHE A 897 -11.649 26.102 43.597 1.00 0.00 H ATOM 1260 N ALA A 898 -8.779 27.651 41.291 1.00 51.02 N ATOM 1261 CA ALA A 898 -7.408 27.224 41.033 1.00 49.33 C ATOM 1262 C ALA A 898 -6.440 28.387 41.217 1.00 50.33 C ATOM 1263 O ALA A 898 -6.830 29.555 41.130 1.00 47.23 O ATOM 1264 CB ALA A 898 -7.300 26.687 39.636 1.00 49.39 C ATOM 1265 H ALA A 898 -9.130 28.501 40.806 1.00 0.00 H ATOM 1266 N ASP A 899 -5.175 28.044 41.495 1.00 52.43 N ATOM 1267 CA ASP A 899 -4.082 29.008 41.448 1.00 52.01 C ATOM 1268 C ASP A 899 -3.322 28.952 40.121 1.00 53.72 C ATOM 1269 O ASP A 899 -2.481 29.794 39.882 1.00 53.97 O ATOM 1270 CB ASP A 899 -3.146 28.893 42.663 1.00 52.87 C ATOM 1271 CG ASP A 899 -2.569 27.486 42.877 1.00 54.94 C ATOM 1272 OD1 ASP A 899 -2.343 26.733 41.900 1.00 55.03 O ATOM 1273 OD2 ASP A 899 -2.329 27.149 44.068 1.00 55.36 O ATOM 1274 H ASP A 899 -4.966 27.058 41.753 1.00 0.00 H ATOM 1275 N MET A 900 -3.629 27.975 39.270 1.00 54.90 N ATOM 1276 CA MET A 900 -3.051 27.858 37.942 1.00 57.12 C ATOM 1277 C MET A 900 -4.096 28.320 36.913 1.00 57.99 C ATOM 1278 O MET A 900 -5.176 27.732 36.800 1.00 55.10 O ATOM 1279 CB MET A 900 -2.676 26.408 37.639 1.00 60.29 C ATOM 1280 CG MET A 900 -1.695 25.730 38.583 1.00 63.07 C ATOM 1281 SD MET A 900 0.033 25.913 38.098 1.00 75.12 S ATOM 1282 CE MET A 900 0.472 27.422 38.893 1.00 72.56 C ATOM 1283 H MET A 900 -4.319 27.258 39.572 1.00 0.00 H ATOM 1284 N VAL A 901 -3.778 29.371 36.158 1.00 57.15 N ATOM 1285 CA VAL A 901 -4.757 29.924 35.208 1.00 56.91 C ATOM 1286 C VAL A 901 -5.230 28.894 34.174 1.00 55.84 C ATOM 1287 O VAL A 901 -6.401 28.850 33.827 1.00 56.63 O ATOM 1288 CB VAL A 901 -4.251 31.210 34.513 1.00 56.42 C ATOM 1289 CG1 VAL A 901 -3.087 30.906 33.573 1.00 57.30 C ATOM 1290 CG2 VAL A 901 -5.385 31.893 33.763 1.00 57.78 C ATOM 1291 H VAL A 901 -2.835 29.802 36.240 1.00 0.00 H ATOM 1292 N SER A 902 -4.317 28.052 33.711 1.00 57.58 N ATOM 1293 CA SER A 902 -4.664 27.060 32.688 1.00 59.14 C ATOM 1294 C SER A 902 -5.628 25.992 33.190 1.00 58.60 C ATOM 1295 O SER A 902 -6.382 25.444 32.405 1.00 58.97 O ATOM 1296 CB SER A 902 -3.381 26.414 32.129 1.00 62.20 C ATOM 1297 OG SER A 902 -2.575 25.896 33.177 1.00 62.60 O ATOM 1298 HG SER A 902 -3.085 25.210 33.676 1.00 0.00 H ATOM 1299 H SER A 902 -3.344 28.095 34.077 1.00 0.00 H ATOM 1300 N LYS A 903 -5.622 25.705 34.501 1.00 60.19 N ATOM 1301 CA LYS A 903 -6.574 24.763 35.085 1.00 58.71 C ATOM 1302 C LYS A 903 -7.979 25.302 35.003 1.00 55.59 C ATOM 1303 O LYS A 903 -8.871 24.597 34.565 1.00 54.88 O ATOM 1304 CB LYS A 903 -6.214 24.398 36.517 1.00 60.27 C ATOM 1305 CG LYS A 903 -7.229 23.450 37.173 1.00 61.68 C ATOM 1306 CD LYS A 903 -6.529 22.592 38.211 1.00 64.49 C ATOM 1307 CE LYS A 903 -7.497 21.769 39.068 1.00 64.42 C ATOM 1308 NZ LYS A 903 -6.703 20.988 40.088 1.00 67.11 N ATOM 1309 HZ1 LYS A 903 -6.040 20.354 39.598 1.00 0.00 H ATOM 1310 HZ2 LYS A 903 -6.172 21.648 40.691 1.00 0.00 H ATOM 1311 HZ3 LYS A 903 -7.352 20.426 40.675 1.00 0.00 H ATOM 1312 H LYS A 903 -4.922 26.165 35.117 1.00 0.00 H ATOM 1313 N SER A 904 -8.176 26.544 35.416 1.00 54.39 N ATOM 1314 CA SER A 904 -9.489 27.179 35.346 1.00 56.14 C ATOM 1315 C SER A 904 -9.890 27.528 33.901 1.00 59.84 C ATOM 1316 O SER A 904 -11.077 27.433 33.538 1.00 58.89 O ATOM 1317 CB SER A 904 -9.515 28.439 36.199 1.00 55.82 C ATOM 1318 OG SER A 904 -9.470 28.120 37.572 1.00 57.73 O ATOM 1319 HG SER A 904 -10.253 27.561 37.806 1.00 0.00 H ATOM 1320 H SER A 904 -7.374 27.082 35.801 1.00 0.00 H ATOM 1321 N ALA A 905 -8.914 27.919 33.081 1.00 60.41 N ATOM 1322 CA ALA A 905 -9.178 28.283 31.698 1.00 61.57 C ATOM 1323 C ALA A 905 -9.803 27.146 30.913 1.00 62.06 C ATOM 1324 O ALA A 905 -10.617 27.401 30.044 1.00 63.84 O ATOM 1325 CB ALA A 905 -7.910 28.757 31.007 1.00 64.72 C ATOM 1326 H ALA A 905 -7.939 27.965 33.440 1.00 0.00 H ATOM 1327 N ASN A 906 -9.468 25.901 31.232 1.00 59.60 N ATOM 1328 CA ASN A 906 -10.106 24.758 30.568 1.00 59.11 C ATOM 1329 C ASN A 906 -11.618 24.773 30.774 1.00 58.46 C ATOM 1330 O ASN A 906 -12.358 24.362 29.897 1.00 61.93 O ATOM 1331 CB ASN A 906 -9.525 23.411 31.032 1.00 59.68 C ATOM 1332 CG ASN A 906 -8.076 23.194 30.606 1.00 63.08 C ATOM 1333 OD1 ASN A 906 -7.607 23.739 29.584 1.00 66.86 O ATOM 1334 ND2 ASN A 906 -7.354 22.386 31.392 1.00 63.42 N ATOM 1335 HD22 ASN A 906 -7.788 21.955 32.233 1.00 0.00 H ATOM 1336 HD21 ASN A 906 -6.359 22.189 31.162 1.00 0.00 H ATOM 1337 H ASN A 906 -8.745 25.734 31.961 1.00 0.00 H ATOM 1338 N TYR A 907 -12.079 25.292 31.908 1.00 58.64 N ATOM 1339 CA TYR A 907 -13.521 25.355 32.207 1.00 59.22 C ATOM 1340 C TYR A 907 -14.285 26.468 31.460 1.00 59.93 C ATOM 1341 O TYR A 907 -15.510 26.580 31.601 1.00 60.33 O ATOM 1342 CB TYR A 907 -13.749 25.380 33.738 1.00 58.81 C ATOM 1343 CG TYR A 907 -13.288 24.062 34.332 1.00 58.93 C ATOM 1344 CD1 TYR A 907 -14.127 22.947 34.333 1.00 60.82 C ATOM 1345 CD2 TYR A 907 -11.981 23.906 34.795 1.00 58.47 C ATOM 1346 CE1 TYR A 907 -13.685 21.725 34.804 1.00 62.98 C ATOM 1347 CE2 TYR A 907 -11.527 22.677 35.283 1.00 59.29 C ATOM 1348 CZ TYR A 907 -12.386 21.589 35.284 1.00 62.35 C ATOM 1349 OH TYR A 907 -11.980 20.364 35.747 1.00 62.44 O ATOM 1350 HH TYR A 907 -12.727 19.719 35.668 1.00 0.00 H ATOM 1351 H TYR A 907 -11.402 25.664 32.604 1.00 0.00 H ATOM 1352 N CYS A 908 -13.566 27.280 30.667 1.00 60.26 N ATOM 1353 CA CYS A 908 -14.187 28.204 29.715 1.00 62.67 C ATOM 1354 C CYS A 908 -14.834 27.487 28.555 1.00 65.63 C ATOM 1355 O CYS A 908 -15.763 28.020 27.969 1.00 68.87 O ATOM 1356 CB CYS A 908 -13.188 29.217 29.184 1.00 63.00 C ATOM 1357 SG CYS A 908 -12.552 30.281 30.478 1.00 63.66 S ATOM 1358 H CYS A 908 -12.528 27.251 30.732 1.00 0.00 H ATOM 1359 N HIS A 909 -14.341 26.290 28.220 1.00 67.57 N ATOM 1360 CA HIS A 909 -14.843 25.500 27.093 1.00 72.33 C ATOM 1361 C HIS A 909 -14.819 26.318 25.773 1.00 75.61 C ATOM 1362 O HIS A 909 -15.777 26.299 25.007 1.00 79.50 O ATOM 1363 CB HIS A 909 -16.244 24.942 27.401 1.00 74.77 C ATOM 1364 CG HIS A 909 -16.250 23.865 28.447 1.00 76.62 C ATOM 1365 ND1 HIS A 909 -16.264 22.524 28.136 1.00 78.70 N ATOM 1366 CD2 HIS A 909 -16.330 23.945 29.797 1.00 74.81 C ATOM 1367 CE1 HIS A 909 -16.310 21.821 29.256 1.00 76.80 C ATOM 1368 NE2 HIS A 909 -16.331 22.658 30.279 1.00 72.82 N ATOM 1369 H HIS A 909 -13.562 25.900 28.788 1.00 0.00 H ATOM 1370 N THR A 910 -13.721 27.030 25.524 1.00 75.66 N ATOM 1371 CA THR A 910 -13.518 27.747 24.266 1.00 81.47 C ATOM 1372 C THR A 910 -13.057 26.757 23.204 1.00 85.79 C ATOM 1373 O THR A 910 -12.704 25.620 23.529 1.00 86.28 O ATOM 1374 CB THR A 910 -12.478 28.864 24.417 1.00 82.14 C ATOM 1375 OG1 THR A 910 -11.248 28.317 24.866 1.00 81.86 O ATOM 1376 CG2 THR A 910 -12.943 29.902 25.427 1.00 80.62 C ATOM 1377 HG1 THR A 910 -10.581 29.042 24.962 1.00 0.00 H ATOM 1378 H THR A 910 -12.980 27.078 26.252 1.00 0.00 H ATOM 1379 N SER A 911 -13.077 27.180 21.940 1.00 88.42 N ATOM 1380 CA SER A 911 -12.751 26.294 20.809 1.00 91.97 C ATOM 1381 C SER A 911 -12.058 27.072 19.682 1.00 94.78 C ATOM 1382 O SER A 911 -11.935 28.302 19.759 1.00 94.45 O ATOM 1383 CB SER A 911 -13.993 25.611 20.304 1.00 94.37 C ATOM 1384 OG SER A 911 -14.920 26.566 19.838 1.00 95.60 O ATOM 1385 HG SER A 911 -15.731 26.104 19.509 1.00 0.00 H ATOM 1386 H SER A 911 -13.331 28.169 21.746 1.00 0.00 H ATOM 1387 N GLN A 912 -11.616 26.374 18.645 1.00 98.89 N ATOM 1388 CA GLN A 912 -10.940 27.062 17.524 1.00101.80 C ATOM 1389 C GLN A 912 -11.907 28.094 16.910 1.00102.80 C ATOM 1390 O GLN A 912 -11.525 29.244 16.713 1.00101.90 O ATOM 1391 CB GLN A 912 -10.444 26.076 16.440 1.00106.92 C ATOM 1392 CG GLN A 912 -9.003 26.349 15.980 1.00109.25 C ATOM 1393 CD GLN A 912 -8.403 25.214 15.159 1.00113.71 C ATOM 1394 OE1 GLN A 912 -8.922 24.868 14.093 1.00119.53 O ATOM 1395 NE2 GLN A 912 -7.298 24.642 15.644 1.00112.12 N ATOM 1396 HE22 GLN A 912 -6.897 24.968 16.547 1.00 0.00 H ATOM 1397 HE21 GLN A 912 -6.838 23.871 15.119 1.00 0.00 H ATOM 1398 H GLN A 912 -11.745 25.342 18.620 1.00 0.00 H ATOM 1399 N GLY A 913 -13.165 27.692 16.685 1.00103.80 N ATOM 1400 CA GLY A 913 -14.196 28.586 16.159 1.00105.72 C ATOM 1401 C GLY A 913 -14.799 29.613 17.111 1.00103.25 C ATOM 1402 O GLY A 913 -15.609 30.440 16.692 1.00101.52 O ATOM 1403 H GLY A 913 -13.418 26.705 16.893 1.00 0.00 H ATOM 1404 N ASP A 914 -14.409 29.573 18.389 1.00 98.53 N ATOM 1405 CA ASP A 914 -14.901 30.500 19.407 1.00 97.42 C ATOM 1406 C ASP A 914 -13.787 30.686 20.472 1.00 93.74 C ATOM 1407 O ASP A 914 -13.872 30.163 21.595 1.00 87.53 O ATOM 1408 CB ASP A 914 -16.183 29.912 19.999 1.00 99.07 C ATOM 1409 CG ASP A 914 -16.842 30.790 21.048 1.00 98.57 C ATOM 1410 OD1 ASP A 914 -16.676 32.036 21.036 1.00101.54 O ATOM 1411 OD2 ASP A 914 -17.526 30.190 21.900 1.00 97.97 O ATOM 1412 H ASP A 914 -13.721 28.846 18.673 1.00 0.00 H ATOM 1413 N PRO A 915 -12.721 31.419 20.107 1.00 95.11 N ATOM 1414 CA PRO A 915 -11.505 31.380 20.913 1.00 92.78 C ATOM 1415 C PRO A 915 -11.378 32.445 22.007 1.00 89.50 C ATOM 1416 O PRO A 915 -10.268 32.639 22.507 1.00 90.81 O ATOM 1417 CB PRO A 915 -10.405 31.559 19.855 1.00 95.40 C ATOM 1418 CG PRO A 915 -11.046 32.445 18.807 1.00 98.70 C ATOM 1419 CD PRO A 915 -12.541 32.239 18.890 1.00 98.04 C ATOM 1420 N ILE A 916 -12.475 33.119 22.386 1.00 87.05 N ATOM 1421 CA ILE A 916 -12.443 34.132 23.443 1.00 83.54 C ATOM 1422 C ILE A 916 -13.256 33.609 24.622 1.00 80.47 C ATOM 1423 O ILE A 916 -14.412 33.233 24.463 1.00 81.19 O ATOM 1424 CB ILE A 916 -13.019 35.489 23.000 1.00 85.79 C ATOM 1425 CG1 ILE A 916 -12.364 35.970 21.692 1.00 89.47 C ATOM 1426 CG2 ILE A 916 -12.780 36.547 24.071 1.00 83.27 C ATOM 1427 CD1 ILE A 916 -13.042 37.164 21.065 1.00 93.09 C ATOM 1428 H ILE A 916 -13.378 32.915 21.913 1.00 0.00 H ATOM 1429 N GLY A 917 -12.648 33.609 25.801 1.00 77.50 N ATOM 1430 CA GLY A 917 -13.302 33.146 27.009 1.00 74.27 C ATOM 1431 C GLY A 917 -13.267 34.190 28.091 1.00 72.20 C ATOM 1432 O GLY A 917 -12.540 35.192 27.994 1.00 71.85 O ATOM 1433 H GLY A 917 -11.668 33.953 25.861 1.00 0.00 H ATOM 1434 N LEU A 918 -14.097 33.968 29.115 1.00 69.92 N ATOM 1435 CA LEU A 918 -14.128 34.802 30.303 1.00 66.60 C ATOM 1436 C LEU A 918 -13.693 33.985 31.515 1.00 63.45 C ATOM 1437 O LEU A 918 -14.041 32.809 31.665 1.00 59.33 O ATOM 1438 CB LEU A 918 -15.537 35.348 30.510 1.00 67.45 C ATOM 1439 CG LEU A 918 -16.091 36.286 29.418 1.00 69.85 C ATOM 1440 CD1 LEU A 918 -17.481 36.701 29.781 1.00 70.61 C ATOM 1441 CD2 LEU A 918 -15.208 37.512 29.222 1.00 71.26 C ATOM 1442 H LEU A 918 -14.750 33.161 29.058 1.00 0.00 H ATOM 1443 N ILE A 919 -12.960 34.641 32.405 1.00 64.76 N ATOM 1444 CA ILE A 919 -12.432 34.001 33.601 1.00 59.79 C ATOM 1445 C ILE A 919 -12.387 35.012 34.750 1.00 59.02 C ATOM 1446 O ILE A 919 -12.041 36.195 34.556 1.00 62.70 O ATOM 1447 CB ILE A 919 -11.055 33.414 33.287 1.00 60.68 C ATOM 1448 CG1 ILE A 919 -10.611 32.479 34.394 1.00 60.47 C ATOM 1449 CG2 ILE A 919 -10.019 34.513 33.063 1.00 61.96 C ATOM 1450 CD1 ILE A 919 -9.376 31.709 34.007 1.00 61.92 C ATOM 1451 H ILE A 919 -12.755 35.648 32.243 1.00 0.00 H ATOM 1452 N LEU A 920 -12.748 34.547 35.942 1.00 55.74 N ATOM 1453 CA LEU A 920 -12.848 35.394 37.121 1.00 53.84 C ATOM 1454 C LEU A 920 -11.608 35.295 37.957 1.00 51.93 C ATOM 1455 O LEU A 920 -10.929 34.270 37.955 1.00 50.14 O ATOM 1456 CB LEU A 920 -14.027 34.959 37.971 1.00 53.90 C ATOM 1457 CG LEU A 920 -15.401 35.236 37.362 1.00 55.56 C ATOM 1458 CD1 LEU A 920 -16.472 34.423 38.080 1.00 55.31 C ATOM 1459 CD2 LEU A 920 -15.743 36.729 37.388 1.00 56.55 C ATOM 1460 H LEU A 920 -12.968 33.535 36.036 1.00 0.00 H ATOM 1461 N LEU A 921 -11.306 36.382 38.665 1.00 54.94 N ATOM 1462 CA LEU A 921 -10.406 36.359 39.807 1.00 53.81 C ATOM 1463 C LEU A 921 -11.263 36.694 40.999 1.00 54.28 C ATOM 1464 O LEU A 921 -11.835 37.784 41.062 1.00 54.58 O ATOM 1465 CB LEU A 921 -9.278 37.359 39.682 1.00 55.66 C ATOM 1466 CG LEU A 921 -8.097 36.964 38.805 1.00 57.16 C ATOM 1467 CD1 LEU A 921 -7.153 38.136 38.635 1.00 59.82 C ATOM 1468 CD2 LEU A 921 -7.340 35.783 39.416 1.00 58.87 C ATOM 1469 H LEU A 921 -11.733 37.289 38.388 1.00 0.00 H ATOM 1470 N GLY A 922 -11.360 35.738 41.929 1.00 54.97 N ATOM 1471 CA GLY A 922 -12.107 35.926 43.168 1.00 54.42 C ATOM 1472 C GLY A 922 -11.165 36.090 44.356 1.00 53.96 C ATOM 1473 O GLY A 922 -10.147 35.404 44.443 1.00 52.42 O ATOM 1474 H GLY A 922 -10.886 34.827 41.763 1.00 0.00 H ATOM 1475 N GLU A 923 -11.503 37.012 45.257 1.00 55.90 N ATOM 1476 CA GLU A 923 -10.950 36.988 46.608 1.00 58.03 C ATOM 1477 C GLU A 923 -11.729 35.885 47.341 1.00 54.79 C ATOM 1478 O GLU A 923 -12.961 35.959 47.453 1.00 54.01 O ATOM 1479 CB GLU A 923 -11.100 38.337 47.318 1.00 62.86 C ATOM 1480 CG GLU A 923 -10.361 38.389 48.653 1.00 67.60 C ATOM 1481 CD GLU A 923 -10.598 39.665 49.466 1.00 73.98 C ATOM 1482 OE1 GLU A 923 -10.259 39.640 50.676 1.00 76.10 O ATOM 1483 OE2 GLU A 923 -11.086 40.702 48.925 1.00 76.81 O ATOM 1484 H GLU A 923 -12.173 37.762 44.993 1.00 0.00 H ATOM 1485 N VAL A 924 -11.015 34.861 47.798 1.00 51.45 N ATOM 1486 CA VAL A 924 -11.626 33.693 48.478 1.00 49.34 C ATOM 1487 C VAL A 924 -11.060 33.638 49.887 1.00 47.89 C ATOM 1488 O VAL A 924 -9.844 33.573 50.067 1.00 46.27 O ATOM 1489 CB VAL A 924 -11.341 32.389 47.709 1.00 47.06 C ATOM 1490 CG1 VAL A 924 -12.070 31.202 48.333 1.00 48.15 C ATOM 1491 CG2 VAL A 924 -11.741 32.547 46.255 1.00 47.76 C ATOM 1492 H VAL A 924 -9.983 34.880 47.673 1.00 0.00 H ATOM 1493 N ALA A 925 -11.943 33.706 50.875 1.00 48.38 N ATOM 1494 CA ALA A 925 -11.563 33.624 52.287 1.00 50.99 C ATOM 1495 C ALA A 925 -11.450 32.140 52.683 1.00 52.28 C ATOM 1496 O ALA A 925 -12.444 31.494 53.028 1.00 50.76 O ATOM 1497 CB ALA A 925 -12.593 34.332 53.145 1.00 53.32 C ATOM 1498 H ALA A 925 -12.949 33.823 50.636 1.00 0.00 H ATOM 1499 N LEU A 926 -10.222 31.630 52.637 1.00 51.99 N ATOM 1500 CA LEU A 926 -9.973 30.215 52.810 1.00 52.48 C ATOM 1501 C LEU A 926 -9.850 29.783 54.287 1.00 55.90 C ATOM 1502 O LEU A 926 -10.185 28.643 54.614 1.00 58.08 O ATOM 1503 CB LEU A 926 -8.716 29.810 52.041 1.00 50.80 C ATOM 1504 CG LEU A 926 -8.785 29.956 50.517 1.00 49.10 C ATOM 1505 CD1 LEU A 926 -7.425 29.702 49.898 1.00 48.01 C ATOM 1506 CD2 LEU A 926 -9.771 28.953 49.942 1.00 49.82 C ATOM 1507 H LEU A 926 -9.417 32.267 52.472 1.00 0.00 H ATOM 1508 N GLY A 927 -9.388 30.676 55.163 1.00 58.79 N ATOM 1509 CA GLY A 927 -9.203 30.364 56.579 1.00 60.52 C ATOM 1510 C GLY A 927 -8.282 29.174 56.814 1.00 60.78 C ATOM 1511 O GLY A 927 -7.237 29.040 56.168 1.00 58.60 O ATOM 1512 H GLY A 927 -9.150 31.631 54.826 1.00 0.00 H ATOM 1513 N ASN A 928 -8.683 28.299 57.731 1.00 63.17 N ATOM 1514 CA ASN A 928 -7.979 27.042 57.936 1.00 63.26 C ATOM 1515 C ASN A 928 -8.435 26.073 56.869 1.00 58.68 C ATOM 1516 O ASN A 928 -9.625 25.756 56.752 1.00 55.57 O ATOM 1517 CB ASN A 928 -8.234 26.475 59.330 1.00 66.31 C ATOM 1518 CG ASN A 928 -7.742 27.395 60.415 1.00 69.86 C ATOM 1519 OD1 ASN A 928 -6.671 27.986 60.288 1.00 72.83 O ATOM 1520 ND2 ASN A 928 -8.523 27.542 61.486 1.00 71.91 N ATOM 1521 HD22 ASN A 928 -9.421 27.021 61.550 1.00 0.00 H ATOM 1522 HD21 ASN A 928 -8.234 28.177 62.257 1.00 0.00 H ATOM 1523 H ASN A 928 -9.516 28.517 58.314 1.00 0.00 H ATOM 1524 N MET A 929 -7.460 25.617 56.091 1.00 56.55 N ATOM 1525 CA MET A 929 -7.694 24.733 54.994 1.00 54.75 C ATOM 1526 C MET A 929 -7.559 23.285 55.460 1.00 56.76 C ATOM 1527 O MET A 929 -6.616 22.927 56.170 1.00 58.17 O ATOM 1528 CB MET A 929 -6.696 25.032 53.893 1.00 54.51 C ATOM 1529 CG MET A 929 -6.806 26.455 53.358 1.00 56.11 C ATOM 1530 SD MET A 929 -5.667 26.821 52.010 1.00 57.00 S ATOM 1531 CE MET A 929 -4.079 26.779 52.859 1.00 58.14 C ATOM 1532 H MET A 929 -6.484 25.917 56.289 1.00 0.00 H ATOM 1533 N TYR A 930 -8.527 22.469 55.069 1.00 55.51 N ATOM 1534 CA TYR A 930 -8.446 21.033 55.188 1.00 55.08 C ATOM 1535 C TYR A 930 -7.732 20.550 53.935 1.00 52.96 C ATOM 1536 O TYR A 930 -8.312 20.569 52.840 1.00 49.98 O ATOM 1537 CB TYR A 930 -9.878 20.455 55.291 1.00 54.64 C ATOM 1538 CG TYR A 930 -10.001 18.995 55.658 1.00 53.99 C ATOM 1539 CD1 TYR A 930 -9.042 18.352 56.456 1.00 57.56 C ATOM 1540 CD2 TYR A 930 -11.123 18.255 55.273 1.00 55.66 C ATOM 1541 CE1 TYR A 930 -9.176 17.010 56.805 1.00 59.31 C ATOM 1542 CE2 TYR A 930 -11.272 16.903 55.625 1.00 56.68 C ATOM 1543 CZ TYR A 930 -10.289 16.294 56.390 1.00 58.88 C ATOM 1544 OH TYR A 930 -10.371 14.972 56.764 1.00 64.17 O ATOM 1545 HH TYR A 930 -9.575 14.733 57.302 1.00 0.00 H ATOM 1546 H TYR A 930 -9.387 22.884 54.656 1.00 0.00 H ATOM 1547 N GLU A 931 -6.481 20.128 54.097 1.00 54.34 N ATOM 1548 CA GLU A 931 -5.590 19.784 52.989 1.00 54.09 C ATOM 1549 C GLU A 931 -5.616 18.310 52.665 1.00 58.48 C ATOM 1550 O GLU A 931 -5.181 17.487 53.463 1.00 60.07 O ATOM 1551 CB GLU A 931 -4.180 20.240 53.295 1.00 55.54 C ATOM 1552 CG GLU A 931 -4.143 21.772 53.462 1.00 56.72 C ATOM 1553 CD GLU A 931 -2.768 22.366 53.607 1.00 59.96 C ATOM 1554 OE1 GLU A 931 -1.780 21.759 53.105 1.00 62.29 O ATOM 1555 OE2 GLU A 931 -2.700 23.464 54.208 1.00 64.03 O ATOM 1556 H GLU A 931 -6.116 20.037 55.066 1.00 0.00 H ATOM 1557 N LEU A 932 -6.145 17.966 51.485 1.00 58.68 N ATOM 1558 CA LEU A 932 -6.336 16.572 51.096 1.00 58.46 C ATOM 1559 C LEU A 932 -5.500 16.223 49.873 1.00 59.78 C ATOM 1560 O LEU A 932 -5.139 17.091 49.069 1.00 59.68 O ATOM 1561 CB LEU A 932 -7.808 16.319 50.815 1.00 57.54 C ATOM 1562 CG LEU A 932 -8.712 16.569 52.029 1.00 59.98 C ATOM 1563 CD1 LEU A 932 -10.182 16.518 51.613 1.00 60.43 C ATOM 1564 CD2 LEU A 932 -8.414 15.594 53.184 1.00 61.01 C ATOM 1565 H LEU A 932 -6.429 18.716 50.823 1.00 0.00 H ATOM 1566 N LYS A 933 -5.189 14.936 49.771 1.00 61.02 N ATOM 1567 CA LYS A 933 -4.306 14.385 48.765 1.00 63.47 C ATOM 1568 C LYS A 933 -5.012 13.518 47.724 1.00 63.98 C ATOM 1569 O LYS A 933 -4.385 13.023 46.791 1.00 61.79 O ATOM 1570 CB LYS A 933 -3.225 13.554 49.452 1.00 65.44 C ATOM 1571 CG LYS A 933 -2.353 14.353 50.396 1.00 65.19 C ATOM 1572 CD LYS A 933 -1.173 13.553 50.879 1.00 68.85 C ATOM 1573 CE LYS A 933 -0.376 14.355 51.887 1.00 70.70 C ATOM 1574 NZ LYS A 933 0.870 13.657 52.333 1.00 74.52 N ATOM 1575 HZ1 LYS A 933 0.618 12.751 52.777 1.00 0.00 H ATOM 1576 HZ2 LYS A 933 1.482 13.484 51.510 1.00 0.00 H ATOM 1577 HZ3 LYS A 933 1.373 14.253 53.021 1.00 0.00 H ATOM 1578 H LYS A 933 -5.608 14.280 50.460 1.00 0.00 H ATOM 1579 N HIS A 934 -6.305 13.293 47.897 1.00 66.47 N ATOM 1580 CA HIS A 934 -7.092 12.480 46.982 1.00 69.44 C ATOM 1581 C HIS A 934 -8.521 12.974 47.044 1.00 67.50 C ATOM 1582 O HIS A 934 -8.934 13.567 48.042 1.00 65.06 O ATOM 1583 CB HIS A 934 -7.009 10.992 47.342 1.00 75.77 C ATOM 1584 CG HIS A 934 -7.229 10.709 48.799 1.00 83.00 C ATOM 1585 ND1 HIS A 934 -8.445 10.901 49.424 1.00 87.64 N ATOM 1586 CD2 HIS A 934 -6.394 10.231 49.749 1.00 88.50 C ATOM 1587 CE1 HIS A 934 -8.356 10.542 50.691 1.00 88.59 C ATOM 1588 NE2 HIS A 934 -7.120 10.129 50.916 1.00 91.78 N ATOM 1589 H HIS A 934 -6.778 13.715 48.721 1.00 0.00 H ATOM 1590 N ALA A 935 -9.271 12.691 45.981 1.00 67.83 N ATOM 1591 CA ALA A 935 -10.690 13.011 45.935 1.00 68.13 C ATOM 1592 C ALA A 935 -11.379 12.426 47.164 1.00 69.81 C ATOM 1593 O ALA A 935 -11.081 11.314 47.598 1.00 72.52 O ATOM 1594 CB ALA A 935 -11.305 12.457 44.666 1.00 69.11 C ATOM 1595 H ALA A 935 -8.830 12.228 45.160 1.00 0.00 H ATOM 1596 N SER A 936 -12.274 13.203 47.751 1.00 69.57 N ATOM 1597 CA SER A 936 -13.019 12.788 48.917 1.00 70.71 C ATOM 1598 C SER A 936 -14.419 13.381 48.805 1.00 70.12 C ATOM 1599 O SER A 936 -14.589 14.513 48.399 1.00 69.01 O ATOM 1600 CB SER A 936 -12.302 13.277 50.165 1.00 69.14 C ATOM 1601 OG SER A 936 -12.798 12.735 51.377 1.00 74.40 O ATOM 1602 HG SER A 936 -12.281 13.102 52.137 1.00 0.00 H ATOM 1603 H SER A 936 -12.448 14.150 47.358 1.00 0.00 H ATOM 1604 N HIS A 937 -15.410 12.594 49.187 1.00 74.73 N ATOM 1605 CA HIS A 937 -16.782 13.043 49.272 1.00 78.76 C ATOM 1606 C HIS A 937 -16.969 13.873 50.540 1.00 77.99 C ATOM 1607 O HIS A 937 -17.328 13.360 51.598 1.00 87.77 O ATOM 1608 CB HIS A 937 -17.737 11.835 49.258 1.00 84.55 C ATOM 1609 CG HIS A 937 -19.163 12.206 49.006 1.00 90.57 C ATOM 1610 ND1 HIS A 937 -20.137 12.143 49.980 1.00 94.16 N ATOM 1611 CD2 HIS A 937 -19.791 12.600 47.869 1.00 94.02 C ATOM 1612 CE1 HIS A 937 -21.297 12.503 49.462 1.00 98.90 C ATOM 1613 NE2 HIS A 937 -21.119 12.778 48.180 1.00 99.42 N ATOM 1614 H HIS A 937 -15.193 11.608 49.438 1.00 0.00 H ATOM 1615 N ILE A 938 -16.725 15.165 50.442 1.00 77.29 N ATOM 1616 CA ILE A 938 -16.900 16.060 51.587 1.00 77.89 C ATOM 1617 C ILE A 938 -18.369 16.503 51.649 1.00 78.80 C ATOM 1618 O ILE A 938 -18.886 17.088 50.682 1.00 81.18 O ATOM 1619 CB ILE A 938 -15.956 17.307 51.515 1.00 74.37 C ATOM 1620 CG1 ILE A 938 -14.448 16.985 51.412 1.00 74.69 C ATOM 1621 CG2 ILE A 938 -16.251 18.309 52.637 1.00 74.94 C ATOM 1622 CD1 ILE A 938 -13.761 16.448 52.664 1.00 77.95 C ATOM 1623 H ILE A 938 -16.402 15.556 49.534 1.00 0.00 H ATOM 1624 N SER A 939 -19.043 16.189 52.751 1.00 83.51 N ATOM 1625 CA SER A 939 -20.352 16.795 53.073 1.00 88.02 C ATOM 1626 C SER A 939 -20.265 17.839 54.200 1.00 89.27 C ATOM 1627 O SER A 939 -21.198 18.620 54.369 1.00 93.23 O ATOM 1628 CB SER A 939 -21.389 15.722 53.440 1.00 88.73 C ATOM 1629 OG SER A 939 -20.974 15.026 54.578 1.00 90.47 O ATOM 1630 HG SER A 939 -21.648 14.338 54.806 1.00 0.00 H ATOM 1631 H SER A 939 -18.636 15.494 53.408 1.00 0.00 H ATOM 1632 N LYS A 940 -19.190 17.825 54.991 1.00 89.24 N ATOM 1633 CA LYS A 940 -19.029 18.749 56.122 1.00 89.86 C ATOM 1634 C LYS A 940 -17.552 18.817 56.516 1.00 85.84 C ATOM 1635 O LYS A 940 -16.827 17.832 56.411 1.00 87.53 O ATOM 1636 CB LYS A 940 -19.892 18.331 57.336 1.00 94.93 C ATOM 1637 CG LYS A 940 -19.154 17.568 58.456 1.00100.35 C ATOM 1638 CD LYS A 940 -18.664 16.177 58.000 1.00104.34 C ATOM 1639 CE LYS A 940 -17.251 15.790 58.485 1.00105.66 C ATOM 1640 NZ LYS A 940 -17.343 14.776 59.570 1.00108.49 N ATOM 1641 HZ1 LYS A 940 -17.882 15.171 60.367 1.00 0.00 H ATOM 1642 HZ2 LYS A 940 -17.825 13.928 59.210 1.00 0.00 H ATOM 1643 HZ3 LYS A 940 -16.386 14.523 59.889 1.00 0.00 H ATOM 1644 H LYS A 940 -18.437 17.133 54.799 1.00 0.00 H ATOM 1645 N LEU A 941 -17.139 19.975 57.019 1.00 76.62 N ATOM 1646 CA LEU A 941 -15.734 20.195 57.328 1.00 70.34 C ATOM 1647 C LEU A 941 -15.411 19.775 58.781 1.00 66.30 C ATOM 1648 O LEU A 941 -16.267 19.874 59.640 1.00 65.58 O ATOM 1649 CB LEU A 941 -15.396 21.666 57.110 1.00 66.96 C ATOM 1650 CG LEU A 941 -15.478 22.184 55.684 1.00 65.76 C ATOM 1651 CD1 LEU A 941 -15.090 23.667 55.623 1.00 65.66 C ATOM 1652 CD2 LEU A 941 -14.609 21.382 54.722 1.00 65.15 C ATOM 1653 H LEU A 941 -17.828 20.734 57.194 1.00 0.00 H ATOM 1654 N PRO A 942 -14.169 19.336 59.052 1.00 63.29 N ATOM 1655 CA PRO A 942 -13.683 19.201 60.435 1.00 66.87 C ATOM 1656 C PRO A 942 -13.745 20.517 61.223 1.00 66.26 C ATOM 1657 O PRO A 942 -13.566 21.583 60.645 1.00 63.68 O ATOM 1658 CB PRO A 942 -12.211 18.767 60.258 1.00 65.78 C ATOM 1659 CG PRO A 942 -12.118 18.225 58.882 1.00 62.74 C ATOM 1660 CD PRO A 942 -13.120 18.976 58.075 1.00 61.37 C ATOM 1661 N LYS A 943 -14.000 20.443 62.518 1.00 70.19 N ATOM 1662 CA LYS A 943 -14.219 21.665 63.311 1.00 73.84 C ATOM 1663 C LYS A 943 -13.009 22.622 63.195 1.00 72.31 C ATOM 1664 O LYS A 943 -11.842 22.198 63.231 1.00 71.77 O ATOM 1665 CB LYS A 943 -14.535 21.339 64.777 1.00 78.83 C ATOM 1666 CG LYS A 943 -15.881 20.638 64.951 1.00 82.86 C ATOM 1667 CD LYS A 943 -16.096 20.197 66.376 1.00 88.94 C ATOM 1668 CE LYS A 943 -17.278 19.232 66.524 1.00 92.28 C ATOM 1669 NZ LYS A 943 -17.020 17.880 65.948 1.00 90.81 N ATOM 1670 HZ1 LYS A 943 -16.817 17.970 64.932 1.00 0.00 H ATOM 1671 HZ2 LYS A 943 -16.204 17.450 66.429 1.00 0.00 H ATOM 1672 HZ3 LYS A 943 -17.859 17.281 66.083 1.00 0.00 H ATOM 1673 H LYS A 943 -14.046 19.513 62.981 1.00 0.00 H ATOM 1674 N GLY A 944 -13.310 23.902 62.984 1.00 70.46 N ATOM 1675 CA GLY A 944 -12.296 24.921 62.799 1.00 67.83 C ATOM 1676 C GLY A 944 -11.797 25.109 61.383 1.00 64.57 C ATOM 1677 O GLY A 944 -11.064 26.054 61.135 1.00 66.20 O ATOM 1678 H GLY A 944 -14.311 24.181 62.951 1.00 0.00 H ATOM 1679 N LYS A 945 -12.177 24.228 60.452 1.00 61.85 N ATOM 1680 CA LYS A 945 -11.798 24.353 59.039 1.00 58.42 C ATOM 1681 C LYS A 945 -12.839 25.163 58.282 1.00 56.73 C ATOM 1682 O LYS A 945 -14.027 24.987 58.502 1.00 56.13 O ATOM 1683 CB LYS A 945 -11.661 22.990 58.378 1.00 57.38 C ATOM 1684 CG LYS A 945 -10.612 22.086 58.997 1.00 58.42 C ATOM 1685 CD LYS A 945 -9.229 22.653 58.854 1.00 58.11 C ATOM 1686 CE LYS A 945 -8.187 21.578 59.055 1.00 59.77 C ATOM 1687 NZ LYS A 945 -6.776 22.077 58.986 1.00 60.68 N ATOM 1688 HZ1 LYS A 945 -6.605 22.501 58.052 1.00 0.00 H ATOM 1689 HZ2 LYS A 945 -6.626 22.793 59.725 1.00 0.00 H ATOM 1690 HZ3 LYS A 945 -6.121 21.283 59.133 1.00 0.00 H ATOM 1691 H LYS A 945 -12.766 23.421 60.741 1.00 0.00 H ATOM 1692 N HIS A 946 -12.379 26.041 57.390 1.00 55.03 N ATOM 1693 CA HIS A 946 -13.263 26.890 56.587 1.00 55.91 C ATOM 1694 C HIS A 946 -13.303 26.566 55.102 1.00 53.11 C ATOM 1695 O HIS A 946 -14.187 27.054 54.393 1.00 55.55 O ATOM 1696 CB HIS A 946 -12.857 28.356 56.773 1.00 57.73 C ATOM 1697 CG HIS A 946 -12.801 28.772 58.202 1.00 60.89 C ATOM 1698 ND1 HIS A 946 -11.623 28.809 58.916 1.00 62.94 N ATOM 1699 CD2 HIS A 946 -13.783 29.119 59.066 1.00 63.57 C ATOM 1700 CE1 HIS A 946 -11.876 29.192 60.156 1.00 66.24 C ATOM 1701 NE2 HIS A 946 -13.179 29.394 60.270 1.00 67.94 N ATOM 1702 H HIS A 946 -11.351 26.127 57.259 1.00 0.00 H ATOM 1703 N SER A 947 -12.370 25.737 54.642 1.00 51.85 N ATOM 1704 CA SER A 947 -12.258 25.394 53.244 1.00 49.98 C ATOM 1705 C SER A 947 -11.493 24.091 53.076 1.00 48.89 C ATOM 1706 O SER A 947 -10.896 23.575 54.032 1.00 50.85 O ATOM 1707 CB SER A 947 -11.506 26.505 52.528 1.00 49.38 C ATOM 1708 OG SER A 947 -10.202 26.650 53.084 1.00 49.47 O ATOM 1709 HG SER A 947 -10.277 26.875 54.045 1.00 0.00 H ATOM 1710 H SER A 947 -11.696 25.320 55.315 1.00 0.00 H ATOM 1711 N VAL A 948 -11.527 23.570 51.848 1.00 47.49 N ATOM 1712 CA VAL A 948 -10.699 22.444 51.438 1.00 46.97 C ATOM 1713 C VAL A 948 -9.686 22.883 50.397 1.00 47.28 C ATOM 1714 O VAL A 948 -9.994 23.680 49.502 1.00 48.47 O ATOM 1715 CB VAL A 948 -11.555 21.307 50.865 1.00 48.83 C ATOM 1716 CG1 VAL A 948 -10.683 20.207 50.244 1.00 48.86 C ATOM 1717 CG2 VAL A 948 -12.445 20.732 51.949 1.00 50.70 C ATOM 1718 H VAL A 948 -12.176 23.988 51.151 1.00 0.00 H ATOM 1719 N LYS A 949 -8.473 22.370 50.518 1.00 48.94 N ATOM 1720 CA LYS A 949 -7.478 22.507 49.480 1.00 49.15 C ATOM 1721 C LYS A 949 -7.045 21.128 49.049 1.00 50.21 C ATOM 1722 O LYS A 949 -6.521 20.367 49.870 1.00 53.12 O ATOM 1723 CB LYS A 949 -6.270 23.303 49.976 1.00 50.60 C ATOM 1724 CG LYS A 949 -5.163 23.379 48.941 1.00 51.03 C ATOM 1725 CD LYS A 949 -4.035 24.287 49.371 1.00 54.17 C ATOM 1726 CE LYS A 949 -3.009 24.393 48.256 1.00 56.07 C ATOM 1727 NZ LYS A 949 -1.731 25.009 48.644 1.00 57.63 N ATOM 1728 HZ1 LYS A 949 -1.903 25.977 48.984 1.00 0.00 H ATOM 1729 HZ2 LYS A 949 -1.292 24.447 49.401 1.00 0.00 H ATOM 1730 HZ3 LYS A 949 -1.097 25.038 47.820 1.00 0.00 H ATOM 1731 H LYS A 949 -8.228 21.853 51.386 1.00 0.00 H ATOM 1732 N GLY A 950 -7.242 20.810 47.762 1.00 49.04 N ATOM 1733 CA GLY A 950 -6.657 19.604 47.177 1.00 49.91 C ATOM 1734 C GLY A 950 -5.234 19.931 46.833 1.00 50.71 C ATOM 1735 O GLY A 950 -4.996 20.910 46.148 1.00 49.35 O ATOM 1736 H GLY A 950 -7.823 21.434 47.167 1.00 0.00 H ATOM 1737 N LEU A 951 -4.279 19.144 47.332 1.00 53.59 N ATOM 1738 CA LEU A 951 -2.851 19.428 47.140 1.00 54.55 C ATOM 1739 C LEU A 951 -2.337 18.832 45.828 1.00 54.90 C ATOM 1740 O LEU A 951 -2.391 17.629 45.623 1.00 55.75 O ATOM 1741 CB LEU A 951 -2.012 18.888 48.293 1.00 57.01 C ATOM 1742 CG LEU A 951 -2.188 19.517 49.681 1.00 57.76 C ATOM 1743 CD1 LEU A 951 -1.318 18.778 50.712 1.00 59.69 C ATOM 1744 CD2 LEU A 951 -1.839 20.990 49.683 1.00 55.88 C ATOM 1745 H LEU A 951 -4.555 18.301 47.875 1.00 0.00 H ATOM 1746 N GLY A 952 -1.834 19.691 44.937 1.00 55.68 N ATOM 1747 CA GLY A 952 -1.264 19.253 43.671 1.00 55.60 C ATOM 1748 C GLY A 952 0.214 18.919 43.772 1.00 58.03 C ATOM 1749 O GLY A 952 0.909 19.357 44.700 1.00 57.03 O ATOM 1750 H GLY A 952 -1.850 20.708 45.155 1.00 0.00 H ATOM 1751 N LYS A 953 0.697 18.163 42.786 1.00 61.09 N ATOM 1752 CA LYS A 953 2.122 17.880 42.663 1.00 64.88 C ATOM 1753 C LYS A 953 2.905 19.122 42.281 1.00 64.02 C ATOM 1754 O LYS A 953 4.071 19.247 42.629 1.00 63.38 O ATOM 1755 CB LYS A 953 2.384 16.811 41.612 1.00 70.09 C ATOM 1756 CG LYS A 953 1.718 15.467 41.856 1.00 73.17 C ATOM 1757 CD LYS A 953 2.085 14.548 40.688 1.00 77.62 C ATOM 1758 CE LYS A 953 1.093 13.410 40.514 1.00 80.65 C ATOM 1759 NZ LYS A 953 1.125 12.513 41.700 1.00 83.58 N ATOM 1760 HZ1 LYS A 953 2.081 12.118 41.809 1.00 0.00 H ATOM 1761 HZ2 LYS A 953 0.874 13.056 42.551 1.00 0.00 H ATOM 1762 HZ3 LYS A 953 0.442 11.740 41.567 1.00 0.00 H ATOM 1763 H LYS A 953 0.040 17.764 42.086 1.00 0.00 H ATOM 1764 N THR A 954 2.264 20.038 41.558 1.00 63.31 N ATOM 1765 CA THR A 954 2.913 21.275 41.138 1.00 66.25 C ATOM 1766 C THR A 954 2.134 22.449 41.706 1.00 63.30 C ATOM 1767 O THR A 954 0.897 22.447 41.716 1.00 64.77 O ATOM 1768 CB THR A 954 3.006 21.368 39.602 1.00 67.42 C ATOM 1769 OG1 THR A 954 3.496 20.122 39.097 1.00 70.76 O ATOM 1770 CG2 THR A 954 3.958 22.482 39.128 1.00 69.91 C ATOM 1771 HG1 THR A 954 3.560 20.170 38.110 1.00 0.00 H ATOM 1772 H THR A 954 1.275 19.867 41.286 1.00 0.00 H ATOM 1773 N THR A 955 2.867 23.456 42.151 1.00 62.56 N ATOM 1774 CA THR A 955 2.291 24.601 42.826 1.00 62.43 C ATOM 1775 C THR A 955 3.053 25.855 42.397 1.00 63.41 C ATOM 1776 O THR A 955 4.259 25.775 42.132 1.00 65.12 O ATOM 1777 CB THR A 955 2.328 24.397 44.379 1.00 64.04 C ATOM 1778 OG1 THR A 955 1.561 25.403 45.033 1.00 65.27 O ATOM 1779 CG2 THR A 955 3.744 24.425 44.952 1.00 66.72 C ATOM 1780 HG1 THR A 955 1.596 25.259 46.012 1.00 0.00 H ATOM 1781 H THR A 955 3.897 23.425 42.011 1.00 0.00 H ATOM 1782 N PRO A 956 2.367 27.011 42.311 1.00 63.84 N ATOM 1783 CA PRO A 956 3.097 28.277 42.173 1.00 67.01 C ATOM 1784 C PRO A 956 4.097 28.423 43.292 1.00 69.05 C ATOM 1785 O PRO A 956 3.748 28.140 44.428 1.00 68.06 O ATOM 1786 CB PRO A 956 2.008 29.340 42.350 1.00 65.49 C ATOM 1787 CG PRO A 956 0.742 28.679 42.008 1.00 63.55 C ATOM 1788 CD PRO A 956 0.913 27.218 42.365 1.00 62.82 C ATOM 1789 N ASP A 957 5.313 28.853 42.970 1.00 73.97 N ATOM 1790 CA ASP A 957 6.412 28.950 43.936 1.00 75.01 C ATOM 1791 C ASP A 957 5.998 29.820 45.135 1.00 73.96 C ATOM 1792 O ASP A 957 5.832 31.021 44.989 1.00 72.13 O ATOM 1793 CB ASP A 957 7.649 29.531 43.232 1.00 78.96 C ATOM 1794 CG ASP A 957 8.917 29.475 44.071 1.00 81.39 C ATOM 1795 OD1 ASP A 957 8.844 29.303 45.313 1.00 80.61 O ATOM 1796 OD2 ASP A 957 9.985 29.658 43.441 1.00 83.92 O ATOM 1797 H ASP A 957 5.494 29.134 41.985 1.00 0.00 H ATOM 1798 N PRO A 958 5.838 29.216 46.329 1.00 76.74 N ATOM 1799 CA PRO A 958 5.305 29.989 47.468 1.00 77.06 C ATOM 1800 C PRO A 958 6.160 31.169 47.932 1.00 80.13 C ATOM 1801 O PRO A 958 5.628 32.093 48.548 1.00 82.14 O ATOM 1802 CB PRO A 958 5.140 28.942 48.577 1.00 77.41 C ATOM 1803 CG PRO A 958 6.035 27.815 48.197 1.00 79.96 C ATOM 1804 CD PRO A 958 6.128 27.819 46.700 1.00 77.70 C ATOM 1805 N SER A 959 7.455 31.155 47.625 1.00 81.96 N ATOM 1806 CA SER A 959 8.326 32.307 47.898 1.00 85.53 C ATOM 1807 C SER A 959 8.086 33.493 46.952 1.00 85.12 C ATOM 1808 O SER A 959 8.560 34.593 47.221 1.00 86.38 O ATOM 1809 CB SER A 959 9.801 31.887 47.843 1.00 88.53 C ATOM 1810 OG SER A 959 10.121 31.375 46.566 1.00 89.09 O ATOM 1811 HG SER A 959 9.554 30.586 46.376 1.00 0.00 H ATOM 1812 H SER A 959 7.861 30.307 47.180 1.00 0.00 H ATOM 1813 N ALA A 960 7.367 33.276 45.849 1.00 83.38 N ATOM 1814 CA ALA A 960 7.055 34.345 44.879 1.00 82.78 C ATOM 1815 C ALA A 960 5.692 35.003 45.105 1.00 79.22 C ATOM 1816 O ALA A 960 5.298 35.860 44.326 1.00 77.53 O ATOM 1817 CB ALA A 960 7.129 33.788 43.469 1.00 81.74 C ATOM 1818 H ALA A 960 7.012 32.316 45.665 1.00 0.00 H ATOM 1819 N ASN A 961 4.972 34.605 46.165 1.00 78.29 N ATOM 1820 CA ASN A 961 3.666 35.184 46.514 1.00 78.18 C ATOM 1821 C ASN A 961 3.789 36.674 46.792 1.00 78.78 C ATOM 1822 O ASN A 961 4.744 37.105 47.445 1.00 80.85 O ATOM 1823 CB ASN A 961 3.066 34.535 47.774 1.00 80.21 C ATOM 1824 CG ASN A 961 2.578 33.107 47.548 1.00 81.48 C ATOM 1825 OD1 ASN A 961 2.511 32.619 46.421 1.00 85.50 O ATOM 1826 ND2 ASN A 961 2.253 32.419 48.638 1.00 82.63 N ATOM 1827 HD22 ASN A 961 2.322 32.866 49.575 1.00 0.00 H ATOM 1828 HD21 ASN A 961 1.929 31.434 48.554 1.00 0.00 H ATOM 1829 H ASN A 961 5.356 33.851 46.769 1.00 0.00 H ATOM 1830 N ILE A 962 2.811 37.447 46.308 1.00 75.36 N ATOM 1831 CA ILE A 962 2.727 38.876 46.611 1.00 77.48 C ATOM 1832 C ILE A 962 1.388 39.193 47.271 1.00 75.61 C ATOM 1833 O ILE A 962 0.516 38.343 47.364 1.00 72.93 O ATOM 1834 CB ILE A 962 3.010 39.768 45.362 1.00 78.39 C ATOM 1835 CG1 ILE A 962 1.925 39.625 44.289 1.00 76.14 C ATOM 1836 CG2 ILE A 962 4.392 39.452 44.773 1.00 79.43 C ATOM 1837 CD1 ILE A 962 0.893 40.740 44.248 1.00 77.48 C ATOM 1838 H ILE A 962 2.087 37.019 45.697 1.00 0.00 H ATOM 1839 N SER A 963 1.254 40.412 47.759 1.00 80.03 N ATOM 1840 CA SER A 963 0.063 40.865 48.458 1.00 83.26 C ATOM 1841 C SER A 963 -0.547 42.040 47.691 1.00 86.67 C ATOM 1842 O SER A 963 0.094 43.070 47.540 1.00 97.60 O ATOM 1843 CB SER A 963 0.427 41.266 49.886 1.00 86.31 C ATOM 1844 OG SER A 963 -0.726 41.265 50.701 1.00 86.80 O ATOM 1845 HG SER A 963 -1.384 41.910 50.340 1.00 0.00 H ATOM 1846 H SER A 963 2.040 41.082 47.637 1.00 0.00 H ATOM 1847 N LEU A 964 -1.761 41.863 47.176 1.00 88.14 N ATOM 1848 CA LEU A 964 -2.505 42.895 46.454 1.00 92.14 C ATOM 1849 C LEU A 964 -3.701 43.249 47.335 1.00 96.11 C ATOM 1850 O LEU A 964 -4.611 42.427 47.512 1.00 93.49 O ATOM 1851 CB LEU A 964 -2.945 42.369 45.081 1.00 91.14 C ATOM 1852 CG LEU A 964 -3.575 43.377 44.096 1.00 94.90 C ATOM 1853 CD1 LEU A 964 -3.334 42.899 42.657 1.00 95.97 C ATOM 1854 CD2 LEU A 964 -5.057 43.620 44.357 1.00 94.45 C ATOM 1855 H LEU A 964 -2.209 40.932 47.294 1.00 0.00 H ATOM 1856 N ASP A 965 -3.693 44.477 47.870 1.00100.59 N ATOM 1857 CA ASP A 965 -4.481 44.847 49.058 1.00101.80 C ATOM 1858 C ASP A 965 -4.098 43.883 50.207 1.00 99.06 C ATOM 1859 O ASP A 965 -2.907 43.618 50.391 1.00101.53 O ATOM 1860 CB ASP A 965 -5.984 44.904 48.737 1.00103.02 C ATOM 1861 CG ASP A 965 -6.303 45.876 47.599 1.00106.45 C ATOM 1862 OD1 ASP A 965 -5.877 47.059 47.660 1.00111.51 O ATOM 1863 OD2 ASP A 965 -6.994 45.465 46.645 1.00107.88 O ATOM 1864 H ASP A 965 -3.100 45.206 47.424 1.00 0.00 H ATOM 1865 N GLY A 966 -5.054 43.346 50.965 1.00 94.99 N ATOM 1866 CA GLY A 966 -4.722 42.333 51.986 1.00 91.10 C ATOM 1867 C GLY A 966 -4.740 40.885 51.493 1.00 83.55 C ATOM 1868 O GLY A 966 -4.698 39.966 52.306 1.00 80.93 O ATOM 1869 H GLY A 966 -6.042 43.643 50.836 1.00 0.00 H ATOM 1870 N VAL A 967 -4.781 40.683 50.175 1.00 79.16 N ATOM 1871 CA VAL A 967 -5.057 39.388 49.582 1.00 75.74 C ATOM 1872 C VAL A 967 -3.784 38.789 48.991 1.00 76.15 C ATOM 1873 O VAL A 967 -3.051 39.470 48.277 1.00 75.71 O ATOM 1874 CB VAL A 967 -6.118 39.511 48.472 1.00 71.76 C ATOM 1875 CG1 VAL A 967 -6.586 38.125 48.024 1.00 70.24 C ATOM 1876 CG2 VAL A 967 -7.300 40.331 48.967 1.00 72.11 C ATOM 1877 H VAL A 967 -4.607 41.491 49.544 1.00 0.00 H ATOM 1878 N ASP A 968 -3.537 37.511 49.279 1.00 71.96 N ATOM 1879 CA ASP A 968 -2.358 36.821 48.759 1.00 71.60 C ATOM 1880 C ASP A 968 -2.600 36.387 47.309 1.00 64.54 C ATOM 1881 O ASP A 968 -3.641 35.857 46.998 1.00 58.81 O ATOM 1882 CB ASP A 968 -1.986 35.644 49.674 1.00 77.64 C ATOM 1883 CG ASP A 968 -1.148 34.603 48.981 1.00 84.27 C ATOM 1884 OD1 ASP A 968 -1.605 33.451 48.834 1.00 88.56 O ATOM 1885 OD2 ASP A 968 -0.017 34.919 48.560 1.00 91.75 O ATOM 1886 H ASP A 968 -4.200 36.992 49.889 1.00 0.00 H ATOM 1887 N VAL A 969 -1.629 36.634 46.435 1.00 63.36 N ATOM 1888 CA VAL A 969 -1.715 36.292 45.009 1.00 60.10 C ATOM 1889 C VAL A 969 -0.604 35.289 44.688 1.00 60.55 C ATOM 1890 O VAL A 969 0.580 35.654 44.706 1.00 62.39 O ATOM 1891 CB VAL A 969 -1.581 37.544 44.113 1.00 60.77 C ATOM 1892 CG1 VAL A 969 -1.693 37.182 42.628 1.00 59.50 C ATOM 1893 CG2 VAL A 969 -2.619 38.592 44.506 1.00 61.14 C ATOM 1894 H VAL A 969 -0.762 37.094 46.779 1.00 0.00 H ATOM 1895 N PRO A 970 -0.974 34.012 44.429 1.00 57.90 N ATOM 1896 CA PRO A 970 0.051 32.992 44.194 1.00 58.90 C ATOM 1897 C PRO A 970 0.548 32.959 42.760 1.00 60.61 C ATOM 1898 O PRO A 970 0.261 32.002 42.041 1.00 59.91 O ATOM 1899 CB PRO A 970 -0.651 31.695 44.576 1.00 55.22 C ATOM 1900 CG PRO A 970 -2.062 31.955 44.220 1.00 54.36 C ATOM 1901 CD PRO A 970 -2.304 33.401 44.565 1.00 55.11 C ATOM 1902 N LEU A 971 1.330 33.969 42.376 1.00 63.00 N ATOM 1903 CA LEU A 971 1.673 34.189 40.953 1.00 66.48 C ATOM 1904 C LEU A 971 3.070 33.732 40.552 1.00 70.04 C ATOM 1905 O LEU A 971 3.558 34.100 39.481 1.00 71.88 O ATOM 1906 CB LEU A 971 1.451 35.670 40.562 1.00 67.93 C ATOM 1907 CG LEU A 971 2.108 36.810 41.353 1.00 70.06 C ATOM 1908 CD1 LEU A 971 3.621 36.741 41.364 1.00 72.79 C ATOM 1909 CD2 LEU A 971 1.655 38.135 40.775 1.00 71.32 C ATOM 1910 H LEU A 971 1.708 34.618 43.095 1.00 0.00 H ATOM 1911 N GLY A 972 3.717 32.945 41.406 1.00 70.83 N ATOM 1912 CA GLY A 972 5.001 32.348 41.059 1.00 72.23 C ATOM 1913 C GLY A 972 4.847 31.302 39.976 1.00 71.67 C ATOM 1914 O GLY A 972 3.763 30.768 39.758 1.00 70.63 O ATOM 1915 H GLY A 972 3.300 32.752 42.339 1.00 0.00 H ATOM 1916 N THR A 973 5.940 31.033 39.282 1.00 76.36 N ATOM 1917 CA THR A 973 6.007 29.955 38.304 1.00 79.65 C ATOM 1918 C THR A 973 5.924 28.589 38.995 1.00 80.12 C ATOM 1919 O THR A 973 6.264 28.459 40.180 1.00 83.07 O ATOM 1920 CB THR A 973 7.292 30.051 37.465 1.00 86.59 C ATOM 1921 OG1 THR A 973 7.165 29.175 36.348 1.00 92.79 O ATOM 1922 CG2 THR A 973 8.543 29.707 38.286 1.00 88.79 C ATOM 1923 HG1 THR A 973 7.985 29.225 35.796 1.00 0.00 H ATOM 1924 H THR A 973 6.787 31.615 39.441 1.00 0.00 H ATOM 1925 N GLY A 974 5.469 27.590 38.244 1.00 78.91 N ATOM 1926 CA GLY A 974 5.213 26.246 38.778 1.00 77.61 C ATOM 1927 C GLY A 974 6.478 25.559 39.255 1.00 81.45 C ATOM 1928 O GLY A 974 7.480 25.560 38.543 1.00 86.01 O ATOM 1929 H GLY A 974 5.287 27.768 37.236 1.00 0.00 H ATOM 1930 N ILE A 975 6.454 25.031 40.481 1.00 78.89 N ATOM 1931 CA ILE A 975 7.490 24.110 40.967 1.00 78.07 C ATOM 1932 C ILE A 975 6.839 22.872 41.561 1.00 75.27 C ATOM 1933 O ILE A 975 5.634 22.835 41.812 1.00 67.80 O ATOM 1934 CB ILE A 975 8.422 24.736 42.046 1.00 79.66 C ATOM 1935 CG1 ILE A 975 7.642 25.110 43.319 1.00 78.56 C ATOM 1936 CG2 ILE A 975 9.163 25.950 41.485 1.00 80.81 C ATOM 1937 CD1 ILE A 975 8.520 25.750 44.374 1.00 82.00 C ATOM 1938 H ILE A 975 5.671 25.282 41.117 1.00 0.00 H ATOM 1939 N SER A 976 7.662 21.863 41.799 1.00 76.59 N ATOM 1940 CA SER A 976 7.246 20.696 42.540 1.00 75.38 C ATOM 1941 C SER A 976 6.890 21.091 43.990 1.00 72.73 C ATOM 1942 O SER A 976 7.650 21.778 44.656 1.00 73.54 O ATOM 1943 CB SER A 976 8.354 19.651 42.509 1.00 79.40 C ATOM 1944 OG SER A 976 8.006 18.557 43.323 1.00 81.81 O ATOM 1945 HG SER A 976 8.731 17.884 43.297 1.00 0.00 H ATOM 1946 H SER A 976 8.637 21.912 41.442 1.00 0.00 H ATOM 1947 N SER A 977 5.709 20.687 44.443 1.00 69.14 N ATOM 1948 CA SER A 977 5.238 21.014 45.787 1.00 67.11 C ATOM 1949 C SER A 977 5.993 20.249 46.892 1.00 68.81 C ATOM 1950 O SER A 977 6.048 20.697 48.033 1.00 67.23 O ATOM 1951 CB SER A 977 3.743 20.742 45.890 1.00 62.86 C ATOM 1952 OG SER A 977 3.463 19.359 45.779 1.00 64.00 O ATOM 1953 HG SER A 977 2.486 19.215 45.850 1.00 0.00 H ATOM 1954 H SER A 977 5.099 20.119 43.821 1.00 0.00 H ATOM 1955 N GLY A 978 6.570 19.102 46.542 1.00 71.55 N ATOM 1956 CA GLY A 978 7.190 18.214 47.507 1.00 74.83 C ATOM 1957 C GLY A 978 6.179 17.340 48.235 1.00 75.65 C ATOM 1958 O GLY A 978 6.548 16.630 49.172 1.00 77.19 O ATOM 1959 H GLY A 978 6.577 18.832 45.538 1.00 0.00 H ATOM 1960 N VAL A 979 4.911 17.391 47.813 1.00 74.07 N ATOM 1961 CA VAL A 979 3.880 16.491 48.302 1.00 75.19 C ATOM 1962 C VAL A 979 3.840 15.298 47.343 1.00 79.30 C ATOM 1963 O VAL A 979 3.300 15.395 46.231 1.00 79.51 O ATOM 1964 CB VAL A 979 2.499 17.182 48.349 1.00 71.40 C ATOM 1965 CG1 VAL A 979 1.440 16.237 48.911 1.00 70.37 C ATOM 1966 CG2 VAL A 979 2.556 18.467 49.162 1.00 69.71 C ATOM 1967 H VAL A 979 4.651 18.106 47.104 1.00 0.00 H ATOM 1968 N ASN A 980 4.460 14.215 47.763 1.00 86.94 N ATOM 1969 CA ASN A 980 4.637 13.034 46.907 1.00 94.30 C ATOM 1970 C ASN A 980 3.411 12.115 46.778 1.00 93.80 C ATOM 1971 O ASN A 980 3.148 11.565 45.705 1.00 94.59 O ATOM 1972 CB ASN A 980 5.841 12.242 47.405 1.00100.50 C ATOM 1973 CG ASN A 980 7.156 13.007 47.204 1.00105.28 C ATOM 1974 OD1 ASN A 980 7.308 13.809 46.262 1.00104.41 O ATOM 1975 ND2 ASN A 980 8.111 12.767 48.094 1.00110.00 N ATOM 1976 HD22 ASN A 980 7.944 12.090 48.866 1.00 0.00 H ATOM 1977 HD21 ASN A 980 9.026 13.256 48.020 1.00 0.00 H ATOM 1978 H ASN A 980 4.837 14.195 48.732 1.00 0.00 H ATOM 1979 N ASP A 981 2.623 12.057 47.825 1.00 91.02 N ATOM 1980 CA ASP A 981 1.537 11.114 47.969 1.00 92.43 C ATOM 1981 C ASP A 981 0.200 11.572 47.359 1.00 84.70 C ATOM 1982 O ASP A 981 -0.841 11.068 47.755 1.00 85.03 O ATOM 1983 CB ASP A 981 1.380 10.896 49.496 1.00 99.14 C ATOM 1984 CG ASP A 981 0.678 9.606 49.859 1.00105.29 C ATOM 1985 OD1 ASP A 981 1.077 8.586 49.273 1.00115.01 O ATOM 1986 OD2 ASP A 981 -0.225 9.623 50.734 1.00109.53 O ATOM 1987 H ASP A 981 2.790 12.731 48.599 1.00 0.00 H ATOM 1988 N THR A 982 0.202 12.549 46.468 1.00 80.61 N ATOM 1989 CA THR A 982 -1.049 13.153 46.013 1.00 74.96 C ATOM 1990 C THR A 982 -1.369 12.745 44.588 1.00 73.82 C ATOM 1991 O THR A 982 -0.492 12.536 43.800 1.00 73.75 O ATOM 1992 CB THR A 982 -1.072 14.693 46.151 1.00 72.69 C ATOM 1993 OG1 THR A 982 -2.405 15.162 45.939 1.00 71.26 O ATOM 1994 CG2 THR A 982 -0.143 15.365 45.172 1.00 72.71 C ATOM 1995 HG1 THR A 982 -2.425 16.148 46.026 1.00 0.00 H ATOM 1996 H THR A 982 1.106 12.892 46.086 1.00 0.00 H ATOM 1997 N SER A 983 -2.657 12.651 44.290 1.00 73.17 N ATOM 1998 CA SER A 983 -3.152 12.244 42.978 1.00 74.75 C ATOM 1999 C SER A 983 -3.544 13.426 42.067 1.00 72.77 C ATOM 2000 O SER A 983 -3.920 13.198 40.919 1.00 73.86 O ATOM 2001 CB SER A 983 -4.371 11.345 43.166 1.00 78.40 C ATOM 2002 OG SER A 983 -5.420 12.061 43.820 1.00 81.59 O ATOM 2003 HG SER A 983 -5.105 12.369 44.707 1.00 0.00 H ATOM 2004 H SER A 983 -3.352 12.879 45.030 1.00 0.00 H ATOM 2005 N LEU A 984 -3.482 14.663 42.558 1.00 68.08 N ATOM 2006 CA LEU A 984 -3.795 15.847 41.739 1.00 67.01 C ATOM 2007 C LEU A 984 -2.538 16.424 41.119 1.00 65.08 C ATOM 2008 O LEU A 984 -1.507 16.498 41.765 1.00 66.90 O ATOM 2009 CB LEU A 984 -4.434 16.946 42.591 1.00 65.88 C ATOM 2010 CG LEU A 984 -5.842 16.719 43.160 1.00 67.55 C ATOM 2011 CD1 LEU A 984 -5.913 15.778 44.382 1.00 69.48 C ATOM 2012 CD2 LEU A 984 -6.413 18.077 43.540 1.00 67.33 C ATOM 2013 H LEU A 984 -3.204 14.797 43.551 1.00 0.00 H ATOM 2014 N LEU A 985 -2.614 16.840 39.861 1.00 63.98 N ATOM 2015 CA LEU A 985 -1.514 17.560 39.246 1.00 64.45 C ATOM 2016 C LEU A 985 -1.399 18.967 39.839 1.00 60.00 C ATOM 2017 O LEU A 985 -0.300 19.404 40.160 1.00 59.49 O ATOM 2018 CB LEU A 985 -1.700 17.616 37.737 1.00 65.79 C ATOM 2019 CG LEU A 985 -1.251 16.370 36.974 1.00 70.63 C ATOM 2020 CD1 LEU A 985 -1.851 15.075 37.483 1.00 71.89 C ATOM 2021 CD2 LEU A 985 -1.557 16.589 35.501 1.00 72.85 C ATOM 2022 H LEU A 985 -3.474 16.647 39.308 1.00 0.00 H ATOM 2023 N TYR A 986 -2.532 19.655 39.969 1.00 55.68 N ATOM 2024 CA TYR A 986 -2.531 21.048 40.435 1.00 55.89 C ATOM 2025 C TYR A 986 -3.420 21.230 41.653 1.00 54.49 C ATOM 2026 O TYR A 986 -4.303 20.403 41.913 1.00 56.78 O ATOM 2027 CB TYR A 986 -2.948 21.986 39.267 1.00 55.62 C ATOM 2028 CG TYR A 986 -2.076 21.716 38.056 1.00 56.11 C ATOM 2029 CD1 TYR A 986 -0.688 21.854 38.148 1.00 57.40 C ATOM 2030 CD2 TYR A 986 -2.612 21.224 36.865 1.00 56.34 C ATOM 2031 CE1 TYR A 986 0.137 21.539 37.069 1.00 59.88 C ATOM 2032 CE2 TYR A 986 -1.789 20.919 35.790 1.00 59.70 C ATOM 2033 CZ TYR A 986 -0.409 21.069 35.904 1.00 60.83 C ATOM 2034 OH TYR A 986 0.445 20.774 34.877 1.00 65.23 O ATOM 2035 HH TYR A 986 0.348 19.820 34.632 1.00 0.00 H ATOM 2036 H TYR A 986 -3.436 19.197 39.736 1.00 0.00 H ATOM 2037 N ASN A 987 -3.180 22.312 42.397 1.00 51.53 N ATOM 2038 CA ASN A 987 -4.006 22.637 43.534 1.00 49.53 C ATOM 2039 C ASN A 987 -5.430 22.952 43.090 1.00 49.41 C ATOM 2040 O ASN A 987 -5.662 23.375 41.965 1.00 48.63 O ATOM 2041 CB ASN A 987 -3.450 23.843 44.303 1.00 49.98 C ATOM 2042 CG ASN A 987 -2.132 23.569 44.987 1.00 50.36 C ATOM 2043 OD1 ASN A 987 -1.833 22.437 45.331 1.00 51.34 O ATOM 2044 ND2 ASN A 987 -1.328 24.623 45.180 1.00 48.94 N ATOM 2045 HD22 ASN A 987 -1.627 25.569 44.869 1.00 0.00 H ATOM 2046 HD21 ASN A 987 -0.404 24.495 45.641 1.00 0.00 H ATOM 2047 H ASN A 987 -2.382 22.933 42.152 1.00 0.00 H ATOM 2048 N GLU A 988 -6.385 22.700 43.980 1.00 48.59 N ATOM 2049 CA GLU A 988 -7.689 23.314 43.893 1.00 48.35 C ATOM 2050 C GLU A 988 -8.170 23.689 45.264 1.00 48.44 C ATOM 2051 O GLU A 988 -7.714 23.163 46.278 1.00 53.98 O ATOM 2052 CB GLU A 988 -8.725 22.452 43.160 1.00 51.64 C ATOM 2053 CG GLU A 988 -8.684 20.948 43.442 1.00 54.47 C ATOM 2054 CD GLU A 988 -9.447 20.180 42.386 1.00 57.08 C ATOM 2055 OE1 GLU A 988 -8.884 19.882 41.313 1.00 59.48 O ATOM 2056 OE2 GLU A 988 -10.620 19.877 42.622 1.00 58.17 O ATOM 2057 H GLU A 988 -6.187 22.042 44.761 1.00 0.00 H ATOM 2058 N TYR A 989 -9.074 24.639 45.284 1.00 48.71 N ATOM 2059 CA TYR A 989 -9.549 25.239 46.489 1.00 48.84 C ATOM 2060 C TYR A 989 -11.049 25.258 46.425 1.00 48.40 C ATOM 2061 O TYR A 989 -11.626 25.681 45.416 1.00 47.30 O ATOM 2062 CB TYR A 989 -9.051 26.680 46.567 1.00 49.58 C ATOM 2063 CG TYR A 989 -7.565 26.846 46.532 1.00 48.08 C ATOM 2064 CD1 TYR A 989 -6.851 26.822 47.698 1.00 50.93 C ATOM 2065 CD2 TYR A 989 -6.886 27.072 45.351 1.00 50.26 C ATOM 2066 CE1 TYR A 989 -5.480 27.047 47.719 1.00 53.13 C ATOM 2067 CE2 TYR A 989 -5.510 27.243 45.341 1.00 50.92 C ATOM 2068 CZ TYR A 989 -4.820 27.258 46.532 1.00 52.68 C ATOM 2069 OH TYR A 989 -3.471 27.435 46.535 1.00 53.45 O ATOM 2070 HH TYR A 989 -3.043 26.707 46.019 1.00 0.00 H ATOM 2071 H TYR A 989 -9.463 24.971 44.379 1.00 0.00 H ATOM 2072 N ILE A 990 -11.683 24.821 47.514 1.00 47.96 N ATOM 2073 CA ILE A 990 -13.120 24.716 47.543 1.00 47.68 C ATOM 2074 C ILE A 990 -13.651 25.369 48.793 1.00 48.87 C ATOM 2075 O ILE A 990 -13.093 25.186 49.873 1.00 51.56 O ATOM 2076 CB ILE A 990 -13.590 23.251 47.479 1.00 48.02 C ATOM 2077 CG1 ILE A 990 -12.902 22.476 46.364 1.00 47.12 C ATOM 2078 CG2 ILE A 990 -15.080 23.194 47.282 1.00 48.55 C ATOM 2079 CD1 ILE A 990 -11.588 21.823 46.720 1.00 47.07 C ATOM 2080 H ILE A 990 -11.132 24.552 48.354 1.00 0.00 H ATOM 2081 N VAL A 991 -14.740 26.112 48.636 1.00 50.08 N ATOM 2082 CA VAL A 991 -15.471 26.679 49.755 1.00 51.29 C ATOM 2083 C VAL A 991 -16.925 26.269 49.601 1.00 53.65 C ATOM 2084 O VAL A 991 -17.394 26.046 48.476 1.00 56.74 O ATOM 2085 CB VAL A 991 -15.305 28.219 49.889 1.00 51.65 C ATOM 2086 CG1 VAL A 991 -13.848 28.578 50.164 1.00 49.88 C ATOM 2087 CG2 VAL A 991 -15.878 28.999 48.692 1.00 51.48 C ATOM 2088 H VAL A 991 -15.084 26.295 47.672 1.00 0.00 H ATOM 2089 N TYR A 992 -17.618 26.138 50.736 1.00 54.38 N ATOM 2090 CA TYR A 992 -18.964 25.566 50.781 1.00 57.00 C ATOM 2091 C TYR A 992 -20.003 26.563 51.269 1.00 59.52 C ATOM 2092 O TYR A 992 -21.153 26.190 51.456 1.00 67.21 O ATOM 2093 CB TYR A 992 -18.955 24.268 51.602 1.00 56.03 C ATOM 2094 CG TYR A 992 -17.913 23.289 51.084 1.00 54.32 C ATOM 2095 CD1 TYR A 992 -16.596 23.370 51.501 1.00 53.89 C ATOM 2096 CD2 TYR A 992 -18.236 22.307 50.142 1.00 54.05 C ATOM 2097 CE1 TYR A 992 -15.621 22.497 51.019 1.00 52.87 C ATOM 2098 CE2 TYR A 992 -17.264 21.419 49.660 1.00 52.21 C ATOM 2099 CZ TYR A 992 -15.957 21.528 50.102 1.00 51.95 C ATOM 2100 OH TYR A 992 -14.964 20.697 49.625 1.00 50.32 O ATOM 2101 HH TYR A 992 -15.195 19.757 49.831 1.00 0.00 H ATOM 2102 H TYR A 992 -17.182 26.456 51.625 1.00 0.00 H ATOM 2103 N ASP A 993 -19.594 27.818 51.439 1.00 59.61 N ATOM 2104 CA ASP A 993 -20.476 28.936 51.758 1.00 63.20 C ATOM 2105 C ASP A 993 -20.217 30.007 50.690 1.00 61.56 C ATOM 2106 O ASP A 993 -19.090 30.436 50.517 1.00 60.53 O ATOM 2107 CB ASP A 993 -20.131 29.451 53.163 1.00 65.21 C ATOM 2108 CG ASP A 993 -21.055 30.558 53.661 1.00 69.36 C ATOM 2109 OD1 ASP A 993 -21.743 31.227 52.859 1.00 69.57 O ATOM 2110 OD2 ASP A 993 -21.058 30.770 54.893 1.00 72.18 O ATOM 2111 H ASP A 993 -18.578 28.015 51.338 1.00 0.00 H ATOM 2112 N ILE A 994 -21.261 30.421 49.980 1.00 62.61 N ATOM 2113 CA ILE A 994 -21.141 31.405 48.885 1.00 62.26 C ATOM 2114 C ILE A 994 -20.609 32.769 49.326 1.00 61.47 C ATOM 2115 O ILE A 994 -19.993 33.481 48.536 1.00 62.22 O ATOM 2116 CB ILE A 994 -22.490 31.629 48.140 1.00 66.16 C ATOM 2117 CG1 ILE A 994 -23.567 32.244 49.054 1.00 68.13 C ATOM 2118 CG2 ILE A 994 -22.958 30.326 47.497 1.00 67.53 C ATOM 2119 CD1 ILE A 994 -24.945 32.304 48.425 1.00 69.61 C ATOM 2120 H ILE A 994 -22.201 30.037 50.204 1.00 0.00 H ATOM 2121 N ALA A 995 -20.851 33.120 50.584 1.00 61.24 N ATOM 2122 CA ALA A 995 -20.407 34.393 51.158 1.00 61.35 C ATOM 2123 C ALA A 995 -18.893 34.467 51.373 1.00 59.34 C ATOM 2124 O ALA A 995 -18.376 35.550 51.646 1.00 60.44 O ATOM 2125 CB ALA A 995 -21.122 34.662 52.485 1.00 63.86 C ATOM 2126 H ALA A 995 -21.380 32.461 51.190 1.00 0.00 H ATOM 2127 N GLN A 996 -18.176 33.350 51.260 1.00 56.89 N ATOM 2128 CA GLN A 996 -16.718 33.381 51.340 1.00 56.76 C ATOM 2129 C GLN A 996 -16.024 33.854 50.050 1.00 55.84 C ATOM 2130 O GLN A 996 -14.790 33.869 50.000 1.00 55.47 O ATOM 2131 CB GLN A 996 -16.173 32.015 51.761 1.00 54.31 C ATOM 2132 CG GLN A 996 -16.261 31.751 53.253 1.00 55.99 C ATOM 2133 CD GLN A 996 -15.947 30.292 53.580 1.00 55.22 C ATOM 2134 OE1 GLN A 996 -16.849 29.489 53.699 1.00 54.67 O ATOM 2135 NE2 GLN A 996 -14.663 29.940 53.654 1.00 54.25 N ATOM 2136 HE22 GLN A 996 -13.920 30.659 53.547 1.00 0.00 H ATOM 2137 HE21 GLN A 996 -14.405 28.946 53.819 1.00 0.00 H ATOM 2138 H GLN A 996 -18.662 32.442 51.113 1.00 0.00 H ATOM 2139 N VAL A 997 -16.790 34.245 49.028 1.00 56.84 N ATOM 2140 CA VAL A 997 -16.242 34.681 47.735 1.00 54.73 C ATOM 2141 C VAL A 997 -16.597 36.147 47.471 1.00 57.47 C ATOM 2142 O VAL A 997 -17.769 36.540 47.579 1.00 58.77 O ATOM 2143 CB VAL A 997 -16.765 33.792 46.578 1.00 51.79 C ATOM 2144 CG1 VAL A 997 -16.238 34.268 45.236 1.00 52.92 C ATOM 2145 CG2 VAL A 997 -16.361 32.344 46.814 1.00 52.38 C ATOM 2146 H VAL A 997 -17.823 34.241 49.153 1.00 0.00 H ATOM 2147 N ASN A 998 -15.586 36.947 47.130 1.00 55.51 N ATOM 2148 CA ASN A 998 -15.780 38.343 46.737 1.00 57.74 C ATOM 2149 C ASN A 998 -15.092 38.466 45.371 1.00 57.53 C ATOM 2150 O ASN A 998 -13.857 38.418 45.286 1.00 56.76 O ATOM 2151 CB ASN A 998 -15.180 39.280 47.783 1.00 59.07 C ATOM 2152 CG ASN A 998 -15.556 40.759 47.585 1.00 61.89 C ATOM 2153 OD1 ASN A 998 -16.554 41.100 46.947 1.00 63.14 O ATOM 2154 ND2 ASN A 998 -14.757 41.644 48.172 1.00 61.00 N ATOM 2155 HD22 ASN A 998 -13.923 41.320 48.703 1.00 0.00 H ATOM 2156 HD21 ASN A 998 -14.966 42.660 48.101 1.00 0.00 H ATOM 2157 H ASN A 998 -14.620 36.563 47.144 1.00 0.00 H ATOM 2158 N LEU A 999 -15.891 38.543 44.304 1.00 56.51 N ATOM 2159 CA LEU A 999 -15.365 38.620 42.948 1.00 57.10 C ATOM 2160 C LEU A 999 -14.678 39.983 42.772 1.00 59.00 C ATOM 2161 O LEU A 999 -15.138 40.975 43.316 1.00 59.67 O ATOM 2162 CB LEU A 999 -16.476 38.458 41.908 1.00 58.34 C ATOM 2163 CG LEU A 999 -17.284 37.169 41.932 1.00 55.76 C ATOM 2164 CD1 LEU A 999 -18.307 37.178 40.817 1.00 57.01 C ATOM 2165 CD2 LEU A 999 -16.409 35.945 41.822 1.00 53.98 C ATOM 2166 H LEU A 999 -16.921 38.548 44.446 1.00 0.00 H ATOM 2167 N LYS A1000 -13.549 39.995 42.071 1.00 60.63 N ATOM 2168 CA LYS A1000 -12.704 41.185 41.953 1.00 64.22 C ATOM 2169 C LYS A1000 -12.441 41.602 40.527 1.00 65.70 C ATOM 2170 O LYS A1000 -12.580 42.779 40.200 1.00 70.54 O ATOM 2171 CB LYS A1000 -11.363 40.958 42.634 1.00 66.24 C ATOM 2172 CG LYS A1000 -11.453 40.875 44.140 1.00 68.33 C ATOM 2173 CD LYS A1000 -11.810 42.219 44.751 1.00 71.96 C ATOM 2174 CE LYS A1000 -11.769 42.146 46.255 1.00 75.15 C ATOM 2175 NZ LYS A1000 -12.367 43.383 46.842 1.00 79.58 N ATOM 2176 HZ1 LYS A1000 -11.826 44.213 46.524 1.00 0.00 H ATOM 2177 HZ2 LYS A1000 -13.355 43.471 46.530 1.00 0.00 H ATOM 2178 HZ3 LYS A1000 -12.334 43.324 47.880 1.00 0.00 H ATOM 2179 H LYS A1000 -13.254 39.124 41.586 1.00 0.00 H ATOM 2180 N TYR A1001 -12.026 40.650 39.692 1.00 63.11 N ATOM 2181 CA TYR A1001 -11.713 40.932 38.300 1.00 61.80 C ATOM 2182 C TYR A1001 -12.363 39.934 37.363 1.00 60.71 C ATOM 2183 O TYR A1001 -12.616 38.781 37.723 1.00 59.15 O ATOM 2184 CB TYR A1001 -10.198 40.935 38.061 1.00 60.65 C ATOM 2185 CG TYR A1001 -9.455 41.878 38.961 1.00 61.33 C ATOM 2186 CD1 TYR A1001 -9.296 43.228 38.617 1.00 62.50 C ATOM 2187 CD2 TYR A1001 -8.913 41.439 40.179 1.00 59.47 C ATOM 2188 CE1 TYR A1001 -8.635 44.103 39.458 1.00 63.10 C ATOM 2189 CE2 TYR A1001 -8.238 42.310 41.010 1.00 59.63 C ATOM 2190 CZ TYR A1001 -8.115 43.636 40.649 1.00 61.39 C ATOM 2191 OH TYR A1001 -7.449 44.495 41.478 1.00 65.25 O ATOM 2192 HH TYR A1001 -7.448 45.402 41.080 1.00 0.00 H ATOM 2193 H TYR A1001 -11.923 39.678 40.046 1.00 0.00 H ATOM 2194 N LEU A1002 -12.635 40.410 36.153 1.00 61.60 N ATOM 2195 CA LEU A1002 -13.092 39.578 35.079 1.00 62.69 C ATOM 2196 C LEU A1002 -12.120 39.841 33.954 1.00 62.44 C ATOM 2197 O LEU A1002 -11.881 40.997 33.593 1.00 68.25 O ATOM 2198 CB LEU A1002 -14.512 39.973 34.696 1.00 65.35 C ATOM 2199 CG LEU A1002 -15.218 39.175 33.607 1.00 68.10 C ATOM 2200 CD1 LEU A1002 -15.242 37.678 33.903 1.00 67.43 C ATOM 2201 CD2 LEU A1002 -16.637 39.704 33.445 1.00 72.10 C ATOM 2202 H LEU A1002 -12.511 41.428 35.978 1.00 0.00 H ATOM 2203 N LEU A1003 -11.518 38.775 33.435 1.00 60.68 N ATOM 2204 CA LEU A1003 -10.592 38.871 32.318 1.00 62.00 C ATOM 2205 C LEU A1003 -11.241 38.291 31.085 1.00 64.59 C ATOM 2206 O LEU A1003 -11.857 37.221 31.143 1.00 63.22 O ATOM 2207 CB LEU A1003 -9.297 38.105 32.592 1.00 59.96 C ATOM 2208 CG LEU A1003 -8.271 38.705 33.544 1.00 59.74 C ATOM 2209 CD1 LEU A1003 -8.832 38.801 34.942 1.00 58.07 C ATOM 2210 CD2 LEU A1003 -7.007 37.866 33.513 1.00 59.54 C ATOM 2211 H LEU A1003 -11.717 37.839 33.843 1.00 0.00 H ATOM 2212 N LYS A1004 -11.078 39.004 29.971 1.00 67.85 N ATOM 2213 CA LYS A1004 -11.456 38.520 28.654 1.00 70.21 C ATOM 2214 C LYS A1004 -10.156 37.998 28.050 1.00 71.22 C ATOM 2215 O LYS A1004 -9.216 38.768 27.833 1.00 72.63 O ATOM 2216 CB LYS A1004 -12.035 39.674 27.843 1.00 73.69 C ATOM 2217 CG LYS A1004 -12.514 39.326 26.449 1.00 77.68 C ATOM 2218 CD LYS A1004 -12.816 40.547 25.562 1.00 81.90 C ATOM 2219 CE LYS A1004 -13.954 41.421 26.067 1.00 83.04 C ATOM 2220 NZ LYS A1004 -14.622 42.205 24.984 1.00 85.24 N ATOM 2221 HZ1 LYS A1004 -13.925 42.829 24.529 1.00 0.00 H ATOM 2222 HZ2 LYS A1004 -15.017 41.552 24.278 1.00 0.00 H ATOM 2223 HZ3 LYS A1004 -15.387 42.778 25.394 1.00 0.00 H ATOM 2224 H LYS A1004 -10.660 39.953 30.048 1.00 0.00 H ATOM 2225 N LEU A1005 -10.099 36.685 27.804 1.00 70.04 N ATOM 2226 CA LEU A1005 -8.884 36.012 27.370 1.00 71.00 C ATOM 2227 C LEU A1005 -9.025 35.505 25.952 1.00 74.69 C ATOM 2228 O LEU A1005 -10.034 34.892 25.606 1.00 76.60 O ATOM 2229 CB LEU A1005 -8.614 34.789 28.237 1.00 70.87 C ATOM 2230 CG LEU A1005 -8.234 34.934 29.714 1.00 68.69 C ATOM 2231 CD1 LEU A1005 -7.916 33.565 30.275 1.00 67.04 C ATOM 2232 CD2 LEU A1005 -7.050 35.847 29.909 1.00 69.77 C ATOM 2233 H LEU A1005 -10.962 36.119 27.929 1.00 0.00 H ATOM 2234 N LYS A1006 -7.982 35.711 25.151 1.00 77.07 N ATOM 2235 CA LYS A1006 -7.875 35.096 23.838 1.00 80.08 C ATOM 2236 C LYS A1006 -7.062 33.813 23.961 1.00 78.13 C ATOM 2237 O LYS A1006 -5.947 33.834 24.496 1.00 76.28 O ATOM 2238 CB LYS A1006 -7.226 36.070 22.850 1.00 84.87 C ATOM 2239 CG LYS A1006 -6.863 35.504 21.477 1.00 89.66 C ATOM 2240 CD LYS A1006 -7.160 36.546 20.415 1.00 96.83 C ATOM 2241 CE LYS A1006 -6.642 36.157 19.045 1.00102.86 C ATOM 2242 NZ LYS A1006 -7.243 34.874 18.575 1.00104.49 N ATOM 2243 HZ1 LYS A1006 -7.004 34.115 19.245 1.00 0.00 H ATOM 2244 HZ2 LYS A1006 -8.276 34.977 18.519 1.00 0.00 H ATOM 2245 HZ3 LYS A1006 -6.865 34.640 17.635 1.00 0.00 H ATOM 2246 H LYS A1006 -7.216 36.335 25.476 1.00 0.00 H ATOM 2247 N PHE A1007 -7.624 32.719 23.447 1.00 78.60 N ATOM 2248 CA PHE A1007 -6.970 31.420 23.423 1.00 79.72 C ATOM 2249 C PHE A1007 -6.341 31.238 22.056 1.00 83.65 C ATOM 2250 O PHE A1007 -7.063 31.159 21.071 1.00 86.35 O ATOM 2251 CB PHE A1007 -7.987 30.299 23.642 1.00 77.99 C ATOM 2252 CG PHE A1007 -8.486 30.190 25.046 1.00 75.80 C ATOM 2253 CD1 PHE A1007 -9.288 31.171 25.586 1.00 74.55 C ATOM 2254 CD2 PHE A1007 -8.176 29.077 25.830 1.00 73.87 C ATOM 2255 CE1 PHE A1007 -9.747 31.053 26.900 1.00 70.88 C ATOM 2256 CE2 PHE A1007 -8.648 28.971 27.118 1.00 70.27 C ATOM 2257 CZ PHE A1007 -9.427 29.951 27.657 1.00 68.69 C ATOM 2258 H PHE A1007 -8.579 32.798 23.042 1.00 0.00 H ATOM 2259 N ASN A1008 -5.011 31.159 22.002 1.00 86.21 N ATOM 2260 CA ASN A1008 -4.283 30.898 20.753 1.00 91.63 C ATOM 2261 C ASN A1008 -3.900 29.424 20.718 1.00 91.98 C ATOM 2262 O ASN A1008 -2.964 29.012 21.393 1.00 93.57 O ATOM 2263 CB ASN A1008 -3.023 31.764 20.673 1.00 94.69 C ATOM 2264 CG ASN A1008 -3.340 33.254 20.734 1.00 97.04 C ATOM 2265 OD1 ASN A1008 -4.175 33.749 19.977 1.00100.51 O ATOM 2266 ND2 ASN A1008 -2.709 33.977 21.669 1.00 99.97 N ATOM 2267 HD22 ASN A1008 -2.009 33.525 22.291 1.00 0.00 H ATOM 2268 HD21 ASN A1008 -2.919 34.990 21.772 1.00 0.00 H ATOM 2269 H ASN A1008 -4.467 31.287 22.879 1.00 0.00 H ATOM 2270 N PHE A1009 -4.623 28.636 19.938 1.00 92.37 N ATOM 2271 CA PHE A1009 -4.428 27.180 19.908 1.00 93.41 C ATOM 2272 C PHE A1009 -3.200 26.769 19.112 1.00 97.98 C ATOM 2273 O PHE A1009 -2.873 27.417 18.132 1.00 99.39 O ATOM 2274 CB PHE A1009 -5.679 26.479 19.382 1.00 93.80 C ATOM 2275 CG PHE A1009 -6.861 26.598 20.306 1.00 90.45 C ATOM 2276 CD1 PHE A1009 -7.007 25.721 21.374 1.00 87.96 C ATOM 2277 CD2 PHE A1009 -7.819 27.591 20.123 1.00 90.34 C ATOM 2278 CE1 PHE A1009 -8.093 25.823 22.239 1.00 84.80 C ATOM 2279 CE2 PHE A1009 -8.893 27.696 20.983 1.00 87.71 C ATOM 2280 CZ PHE A1009 -9.039 26.816 22.050 1.00 84.06 C ATOM 2281 H PHE A1009 -5.351 29.060 19.328 1.00 0.00 H ATOM 2282 N LYS A1010 -2.517 25.721 19.566 1.00 99.45 N ATOM 2283 CA LYS A1010 -1.293 25.244 18.929 1.00104.42 C ATOM 2284 C LYS A1010 -1.662 24.212 17.874 1.00110.48 C ATOM 2285 O LYS A1010 -2.788 23.717 17.840 1.00111.51 O ATOM 2286 CB LYS A1010 -0.324 24.628 19.952 1.00101.81 C ATOM 2287 H LYS A1010 -2.869 25.222 20.408 1.00 0.00 H TER 2288 LYS A1010 HETATM 2289 O HOH 1 -16.497 11.975 42.265 1.00 73.95 O HETATM 2290 O HOH 2 -17.617 17.724 36.964 1.00 64.23 O HETATM 2291 O HOH 3 -20.990 23.699 43.082 1.00 73.93 O HETATM 2292 O HOH 4 -25.843 33.622 32.585 1.00 56.87 O HETATM 2293 O HOH 5 -1.460 24.327 41.726 1.00 56.48 O HETATM 2294 O HOH 6 -22.565 24.028 51.420 1.00 74.23 O HETATM 2295 O HOH 7 -19.482 37.177 49.452 1.00 65.57 O HETATM 2296 O HOH 8 -17.192 23.582 32.615 1.00 69.00 O HETATM 2297 O HOH 9 -23.464 33.720 45.052 1.00 66.44 O HETATM 2298 O HOH 10 -8.565 21.995 34.024 1.00 62.37 O HETATM 2299 O HOH 11 -20.164 33.415 45.772 1.00 52.16 O HETATM 2300 O HOH 12 -16.838 26.098 35.649 1.00 61.18 O HETATM 2301 O HOH 13 0.570 21.407 46.462 1.00 68.20 O HETATM 2302 O HOH 14 -4.347 25.297 40.537 1.00 52.30 O HETATM 2303 O HOH 15 -19.497 35.218 43.829 1.00 66.19 O HETATM 2304 O HOH 16 -17.470 25.678 41.383 1.00 58.24 O HETATM 2305 O HOH 17 -23.974 13.099 48.559 1.00 67.38 O HETATM 2306 O HOH 18 -5.188 18.851 38.523 1.00 55.25 O HETATM 2307 O HOH 19 -15.453 48.191 39.893 1.00 62.18 O HETATM 2308 O HOH 20 -6.375 20.507 35.709 1.00 57.95 O HETATM 2309 O HOH 21 -5.453 18.674 35.707 1.00 62.76 O HETATM 2310 O3 DQV A 22 -19.070 22.026 36.308 1.00 -0.61 O HETATM 2311 P DQV A 22 -18.614 21.082 37.395 1.00 0.30 P HETATM 2312 O4 DQV A 22 -19.072 19.686 37.133 1.00 -0.61 O HETATM 2313 O5 DQV A 22 -19.286 21.553 38.748 1.00 -0.13 O HETATM 2314 P1 DQV A 22 -19.668 23.033 39.174 1.00 0.30 P HETATM 2315 O6 DQV A 22 -20.480 22.944 40.499 1.00 -0.61 O HETATM 2316 O7 DQV A 22 -18.498 23.890 39.412 1.00 -0.61 O HETATM 2317 O8 DQV A 22 -20.615 23.552 38.091 1.00 -0.25 O HETATM 2318 C10 DQV A 22 -21.577 24.602 38.222 1.00 0.11 C HETATM 2319 C11 DQV A 22 -21.362 25.584 37.110 1.00 0.12 C HETATM 2320 C14 DQV A 22 -19.941 26.139 36.989 1.00 0.11 C HETATM 2321 C13 DQV A 22 -20.044 27.522 37.645 1.00 0.14 C HETATM 2322 C12 DQV A 22 -21.469 27.896 37.261 1.00 0.20 C HETATM 2323 N1 DQV A 22 -22.115 28.919 38.070 1.00 -0.19 N HETATM 2324 C15 DQV A 22 -21.804 29.348 39.332 1.00 0.11 C HETATM 2325 N2 DQV A 22 -22.601 30.283 39.789 1.00 -0.30 N HETATM 2326 C16 DQV A 22 -23.491 30.496 38.746 1.00 0.10 C HETATM 2327 C19 DQV A 22 -23.204 29.660 37.681 1.00 0.16 C HETATM 2328 N5 DQV A 22 -23.856 29.598 36.509 1.00 -0.27 N HETATM 2329 C18 DQV A 22 -24.847 30.497 36.463 1.00 0.05 C HETATM 2330 N4 DQV A 22 -25.230 31.374 37.399 1.00 -0.27 N HETATM 2331 C17 DQV A 22 -24.572 31.389 38.583 1.00 0.13 C HETATM 2332 N3 DQV A 22 -24.995 32.225 39.536 1.00 -0.32 N HETATM 2333 H11 DQV A 22 -24.512 32.256 40.445 1.00 0.18 H HETATM 2334 H12 DQV A 22 -25.804 32.838 39.361 1.00 0.18 H HETATM 2335 H18 DQV A 22 -25.417 30.517 35.541 1.00 0.10 H HETATM 2336 H15 DQV A 22 -20.969 28.948 39.905 1.00 0.13 H HETATM 2337 O9 DQV A 22 -22.226 26.712 37.346 1.00 -0.34 O HETATM 2338 H10 DQV A 22 -21.458 28.253 36.221 1.00 0.10 H HETATM 2339 O10 DQV A 22 -19.115 28.439 37.080 1.00 -0.38 O HETATM 2340 H17 DQV A 22 -19.290 28.533 36.151 1.00 0.21 H HETATM 2341 H13 DQV A 22 -19.907 27.473 38.735 1.00 0.07 H HETATM 2342 O11 DQV A 22 -19.571 26.205 35.624 1.00 -0.39 O HETATM 2343 H16 DQV A 22 -18.723 26.627 35.547 1.00 0.21 H HETATM 2344 H14 DQV A 22 -19.221 25.508 37.531 1.00 0.06 H HETATM 2345 H9 DQV A 22 -21.629 25.096 36.161 1.00 0.07 H HETATM 2346 H7 DQV A 22 -22.593 24.185 38.158 1.00 0.06 H HETATM 2347 H8 DQV A 22 -21.448 25.105 39.192 1.00 0.06 H HETATM 2348 O2 DQV A 22 -17.041 21.241 37.673 1.00 -0.25 O HETATM 2349 C9 DQV A 22 -16.478 20.880 38.952 1.00 0.11 C HETATM 2350 C8 DQV A 22 -15.053 20.396 38.848 1.00 0.12 C HETATM 2351 O1 DQV A 22 -14.250 21.438 38.285 1.00 -0.35 O HETATM 2352 C7 DQV A 22 -12.913 21.388 38.822 1.00 0.12 C HETATM 2353 C5 DQV A 22 -12.387 22.768 39.104 1.00 -0.01 C HETATM 2354 C4 DQV A 22 -11.249 22.940 39.890 1.00 -0.05 C HETATM 2355 C3 DQV A 22 -10.647 24.184 39.998 1.00 -0.06 C HETATM 2356 C2 DQV A 22 -11.180 25.273 39.332 1.00 -0.05 C HETATM 2357 C1 DQV A 22 -12.325 25.126 38.545 1.00 0.04 C HETATM 2358 C6 DQV A 22 -12.926 23.870 38.442 1.00 -0.04 C HETATM 2359 H2 DQV A 22 -13.820 23.751 37.841 1.00 0.06 H HETATM 2360 C DQV A 22 -12.853 26.300 37.766 1.00 0.20 C HETATM 2361 O DQV A 22 -12.061 27.223 37.429 1.00 -0.38 O HETATM 2362 N DQV A 22 -14.159 26.313 37.454 1.00 -0.30 N HETATM 2363 H25 DQV A 22 -14.542 27.078 36.937 1.00 0.18 H HETATM 2364 H26 DQV A 22 -14.749 25.557 37.739 1.00 0.18 H HETATM 2365 H24 DQV A 22 -10.707 26.244 39.421 1.00 0.06 H HETATM 2366 H23 DQV A 22 -9.757 24.304 40.605 1.00 0.06 H HETATM 2367 H1 DQV A 22 -10.831 22.093 40.422 1.00 0.06 H HETATM 2368 C21 DQV A 22 -12.934 20.415 40.014 1.00 0.12 C HETATM 2369 C20 DQV A 22 -14.423 20.094 40.207 1.00 0.11 C HETATM 2370 O12 DQV A 22 -14.578 18.728 40.575 1.00 -0.39 O HETATM 2371 H20 DQV A 22 -14.160 18.177 39.924 1.00 0.21 H HETATM 2372 H19 DQV A 22 -14.864 20.734 40.986 1.00 0.06 H HETATM 2373 O13 DQV A 22 -12.157 19.261 39.725 1.00 -0.38 O HETATM 2374 H22 DQV A 22 -12.231 18.643 40.443 1.00 0.21 H HETATM 2375 H21 DQV A 22 -12.531 20.899 40.916 1.00 0.07 H HETATM 2376 H3 DQV A 22 -12.252 20.953 38.058 1.00 0.08 H HETATM 2377 H4 DQV A 22 -15.023 19.497 38.215 1.00 0.07 H HETATM 2378 H5 DQV A 22 -16.502 21.762 39.608 1.00 0.06 H HETATM 2379 H6 DQV A 22 -17.090 20.079 39.392 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 156 157 162 163 164 CONECT 163 156 CONECT 164 156 CONECT 2310 2311 CONECT 2311 2310 2312 2313 2348 CONECT 2312 2311 CONECT 2313 2311 2314 CONECT 2314 2313 2315 2316 2317 CONECT 2315 2314 CONECT 2316 2314 CONECT 2317 2314 2318 CONECT 2318 2317 2319 2346 2347 CONECT 2319 2318 2320 2337 2345 CONECT 2320 2319 2321 2342 2344 CONECT 2321 2320 2322 2339 2341 CONECT 2322 2321 2323 2337 2338 CONECT 2323 2322 2324 2327 CONECT 2324 2323 2325 2336 CONECT 2325 2324 2326 CONECT 2326 2325 2327 2331 CONECT 2327 2323 2326 2328 CONECT 2328 2327 2329 CONECT 2329 2328 2330 2335 CONECT 2330 2329 2331 CONECT 2331 2326 2330 2332 CONECT 2332 2331 2333 2334 CONECT 2333 2332 CONECT 2334 2332 CONECT 2335 2329 CONECT 2336 2324 CONECT 2337 2319 2322 CONECT 2338 2322 CONECT 2339 2321 2340 CONECT 2340 2339 CONECT 2341 2321 CONECT 2342 2320 2343 CONECT 2343 2342 CONECT 2344 2320 CONECT 2345 2319 CONECT 2346 2318 CONECT 2347 2318 CONECT 2348 2311 2349 CONECT 2349 2348 2350 2378 2379 CONECT 2350 2349 2351 2369 2377 CONECT 2351 2350 2352 CONECT 2352 2351 2353 2368 2376 CONECT 2353 2352 2354 2358 CONECT 2354 2353 2355 2367 CONECT 2355 2354 2356 2366 CONECT 2356 2355 2357 2365 CONECT 2357 2356 2358 2360 CONECT 2358 2353 2357 2359 CONECT 2359 2358 CONECT 2360 2357 2361 2362 CONECT 2361 2360 CONECT 2362 2360 2363 2364 CONECT 2363 2362 CONECT 2364 2362 CONECT 2365 2356 CONECT 2366 2355 CONECT 2367 2354 CONECT 2368 2352 2369 2373 2375 CONECT 2369 2350 2368 2370 2372 CONECT 2370 2369 2371 CONECT 2371 2370 CONECT 2372 2369 CONECT 2373 2368 2374 CONECT 2374 2373 CONECT 2375 2368 CONECT 2376 2352 CONECT 2377 2350 CONECT 2378 2349 CONECT 2379 2349 MASTER 0 0 0 0 0 0 0 0 2377 2 77 20 END
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Structure:
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Related entries of code: 6bhv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6nrj
RCSB PDB
PDBbind
271aa, >6NRJ_1|Chain... at 100%
6nri
RCSB PDB
PDBbind
271aa, >6NRI_1|Chain... at 100%
6nrh
RCSB PDB
PDBbind
271aa, >6NRH_1|Chain... at 100%
6nrg
RCSB PDB
PDBbind
271aa, >6NRG_1|Chain... at 100%
6nrf
RCSB PDB
PDBbind
271aa, >6NRF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6bhv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Poly [ADP-ribose] polymerase 1
Ligand Name
DQV
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=5.87uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 844-844
Ligand Properties
Formula
C
2
2
H
3
0
N
6
O
1
4
P
2
Molecular Weight
664.453
Exact Mass
664.130
No. of atoms
74
No. of bonds
78
Polar Surface Area
347.88
LOGP Value
-5.41 (
Computed with XLOGP3
)
-1.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 5
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1c1cccc(c1)C(=O)N)COP(OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)(O)O)(O)O
InChI String
InChI=1S/C22H32N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32,34-37,43-44H,5-6H2,(H2,24,33)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P09874
Entrez Gene ID
NCBI Entrez Gene ID:
142
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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