Browse entries in the PDBbind-CN Database
HEADER 5L7H_COMPLEX COMPND 5L7H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 TYR PHE SEQRES 1 A 176 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 176 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 176 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 176 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 176 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 176 ILE GLN TYR SER TRP MET SER LEU LEU SER PHE ALA LEU SEQRES 7 A 176 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 176 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 176 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 176 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 176 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 176 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 176 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 176 MET VAL THR LYS SER PRO ASN SEQRES 1 A 71 SER GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR LYS SEQRES 2 A 71 LEU LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU LEU SEQRES 3 A 71 GLU PHE CYS PHE TYR THR PHE ARG GLU SER HIS ALA LEU SEQRES 4 A 71 LYS VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SER SEQRES 5 A 71 ASP GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS PRO SEQRES 6 A 71 LEU TYR PHE HIS ARG LYS HET UNN A 442 50 ATOM 1 N TYR A 731 -20.383 1.877 2.983 1.00 50.50 N ATOM 2 CA TYR A 731 -19.763 3.052 3.595 1.00 50.13 C ATOM 3 C TYR A 731 -19.099 3.975 2.572 1.00 53.89 C ATOM 4 O TYR A 731 -19.224 5.198 2.692 1.00 53.61 O ATOM 5 CB TYR A 731 -18.763 2.637 4.684 1.00 51.01 C ATOM 6 CG TYR A 731 -18.179 3.801 5.457 1.00 52.23 C ATOM 7 CD1 TYR A 731 -18.920 4.453 6.438 1.00 53.49 C ATOM 8 CD2 TYR A 731 -16.884 4.251 5.208 1.00 53.14 C ATOM 9 CE1 TYR A 731 -18.380 5.505 7.172 1.00 52.78 C ATOM 10 CE2 TYR A 731 -16.333 5.308 5.934 1.00 53.85 C ATOM 11 CZ TYR A 731 -17.087 5.931 6.915 1.00 59.10 C ATOM 12 OH TYR A 731 -16.572 6.985 7.620 1.00 58.49 O ATOM 13 HH TYR A 731 -17.244 7.303 8.274 1.00 0.00 H ATOM 14 HN3 TYR A 731 -19.658 1.326 2.481 1.00 0.00 H ATOM 15 HN2 TYR A 731 -21.114 2.183 2.310 1.00 0.00 H ATOM 16 HN1 TYR A 731 -20.816 1.290 3.724 1.00 0.00 H ATOM 17 N PHE A 732 -18.358 3.396 1.605 1.00 49.69 N ATOM 18 CA PHE A 732 -17.684 4.145 0.545 1.00 56.94 C ATOM 19 C PHE A 732 -18.468 4.004 -0.759 1.00 94.64 C ATOM 20 O PHE A 732 -18.364 4.853 -1.641 1.00 59.42 O ATOM 21 CB PHE A 732 -16.233 3.655 0.353 1.00 58.20 C ATOM 22 CG PHE A 732 -15.273 3.931 1.491 1.00 58.81 C ATOM 23 CD1 PHE A 732 -14.937 5.236 1.843 1.00 60.83 C ATOM 24 CD2 PHE A 732 -14.655 2.885 2.169 1.00 60.26 C ATOM 25 CE1 PHE A 732 -14.038 5.489 2.886 1.00 61.37 C ATOM 26 CE2 PHE A 732 -13.734 3.140 3.191 1.00 62.61 C ATOM 27 CZ PHE A 732 -13.430 4.439 3.542 1.00 60.42 C ATOM 28 H PHE A 732 -18.261 2.361 1.614 1.00 0.00 H TER 29 PHE A 732 ATOM 30 N SER A 737 -12.377 5.567 -5.394 1.00 41.13 N ATOM 31 CA SER A 737 -11.480 4.805 -4.517 1.00 40.09 C ATOM 32 C SER A 737 -10.988 5.671 -3.354 1.00 38.37 C ATOM 33 O SER A 737 -10.301 6.670 -3.605 1.00 35.31 O ATOM 34 CB SER A 737 -10.299 4.241 -5.302 1.00 45.05 C ATOM 35 OG SER A 737 -9.302 3.702 -4.445 1.00 56.28 O ATOM 36 HG SER A 737 -8.556 3.348 -4.991 1.00 0.00 H ATOM 37 HN3 SER A 737 -11.868 6.388 -5.779 1.00 0.00 H ATOM 38 HN2 SER A 737 -13.200 5.893 -4.848 1.00 0.00 H ATOM 39 HN1 SER A 737 -12.697 4.958 -6.174 1.00 0.00 H ATOM 40 N PRO A 738 -11.332 5.329 -2.084 1.00 34.35 N ATOM 41 CA PRO A 738 -10.891 6.169 -0.951 1.00 33.32 C ATOM 42 C PRO A 738 -9.379 6.355 -0.854 1.00 31.41 C ATOM 43 O PRO A 738 -8.948 7.450 -0.517 1.00 29.55 O ATOM 44 CB PRO A 738 -11.474 5.462 0.281 1.00 36.07 C ATOM 45 CG PRO A 738 -11.798 4.100 -0.164 1.00 41.02 C ATOM 46 CD PRO A 738 -12.173 4.213 -1.611 1.00 36.93 C ATOM 47 N VAL A 739 -8.582 5.322 -1.202 1.00 26.39 N ATOM 48 CA VAL A 739 -7.112 5.423 -1.180 1.00 26.57 C ATOM 49 C VAL A 739 -6.609 6.413 -2.245 1.00 25.85 C ATOM 50 O VAL A 739 -5.650 7.131 -1.985 1.00 22.42 O ATOM 51 CB VAL A 739 -6.401 4.044 -1.253 1.00 32.16 C ATOM 52 CG1 VAL A 739 -4.906 4.175 -0.910 1.00 32.40 C ATOM 53 CG2 VAL A 739 -7.082 3.055 -0.308 1.00 32.38 C ATOM 54 H VAL A 739 -9.020 4.426 -1.495 1.00 0.00 H ATOM 55 N MET A 740 -7.243 6.463 -3.430 1.00 21.79 N ATOM 56 CA MET A 740 -6.798 7.428 -4.438 1.00 20.89 C ATOM 57 C MET A 740 -7.091 8.866 -3.980 1.00 22.22 C ATOM 58 O MET A 740 -6.281 9.766 -4.236 1.00 21.45 O ATOM 59 CB MET A 740 -7.381 7.119 -5.820 1.00 23.40 C ATOM 60 CG MET A 740 -6.796 7.954 -6.941 1.00 27.16 C ATOM 61 SD MET A 740 -5.028 8.414 -6.936 1.00 32.02 S ATOM 62 CE MET A 740 -4.283 6.852 -7.393 1.00 28.15 C ATOM 63 H MET A 740 -8.039 5.824 -3.628 1.00 0.00 H ATOM 64 N VAL A 741 -8.193 9.065 -3.230 1.00 18.13 N ATOM 65 CA VAL A 741 -8.495 10.394 -2.657 1.00 17.33 C ATOM 66 C VAL A 741 -7.339 10.755 -1.684 1.00 18.60 C ATOM 67 O VAL A 741 -6.799 11.862 -1.768 1.00 17.00 O ATOM 68 CB VAL A 741 -9.878 10.465 -1.936 1.00 20.37 C ATOM 69 CG1 VAL A 741 -9.983 11.725 -1.079 1.00 19.43 C ATOM 70 CG2 VAL A 741 -11.022 10.421 -2.950 1.00 20.98 C ATOM 71 H VAL A 741 -8.841 8.271 -3.052 1.00 0.00 H ATOM 72 N LEU A 742 -6.958 9.797 -0.805 1.00 16.52 N ATOM 73 CA LEU A 742 -5.886 10.004 0.171 1.00 16.45 C ATOM 74 C LEU A 742 -4.596 10.468 -0.515 1.00 20.11 C ATOM 75 O LEU A 742 -3.959 11.431 -0.080 1.00 18.95 O ATOM 76 CB LEU A 742 -5.613 8.696 0.973 1.00 16.11 C ATOM 77 CG LEU A 742 -6.746 8.092 1.805 1.00 19.95 C ATOM 78 CD1 LEU A 742 -6.219 6.961 2.688 1.00 20.17 C ATOM 79 CD2 LEU A 742 -7.434 9.121 2.672 1.00 22.06 C ATOM 80 H LEU A 742 -7.446 8.879 -0.824 1.00 0.00 H ATOM 81 N GLU A 743 -4.232 9.802 -1.616 1.00 18.62 N ATOM 82 CA GLU A 743 -3.041 10.165 -2.358 1.00 19.22 C ATOM 83 C GLU A 743 -3.088 11.596 -2.864 1.00 23.61 C ATOM 84 O GLU A 743 -2.060 12.276 -2.825 1.00 24.18 O ATOM 85 CB GLU A 743 -2.795 9.191 -3.509 1.00 20.71 C ATOM 86 CG GLU A 743 -2.389 7.815 -2.989 1.00 32.72 C ATOM 87 CD GLU A 743 -2.191 6.752 -4.050 1.00 58.16 C ATOM 88 OE1 GLU A 743 -3.201 6.182 -4.520 1.00 48.43 O ATOM 89 OE2 GLU A 743 -1.021 6.450 -4.372 1.00 62.49 O ATOM 90 H GLU A 743 -4.816 9.007 -1.947 1.00 0.00 H ATOM 91 N ASN A 744 -4.277 12.068 -3.305 1.00 18.17 N ATOM 92 CA ASN A 744 -4.418 13.429 -3.844 1.00 17.97 C ATOM 93 C ASN A 744 -4.557 14.527 -2.795 1.00 22.95 C ATOM 94 O ASN A 744 -4.220 15.671 -3.078 1.00 25.01 O ATOM 95 CB ASN A 744 -5.586 13.491 -4.834 1.00 18.93 C ATOM 96 CG ASN A 744 -5.314 12.677 -6.067 1.00 27.41 C ATOM 97 OD1 ASN A 744 -4.242 12.766 -6.651 1.00 28.43 O ATOM 98 ND2 ASN A 744 -6.246 11.814 -6.444 1.00 23.64 N ATOM 99 HD22 ASN A 744 -7.147 11.763 -5.927 1.00 0.00 H ATOM 100 HD21 ASN A 744 -6.077 11.188 -7.257 1.00 0.00 H ATOM 101 H ASN A 744 -5.114 11.452 -3.262 1.00 0.00 H ATOM 102 N ILE A 745 -5.010 14.198 -1.582 1.00 18.30 N ATOM 103 CA ILE A 745 -5.208 15.226 -0.543 1.00 17.67 C ATOM 104 C ILE A 745 -4.014 15.344 0.416 1.00 23.74 C ATOM 105 O ILE A 745 -4.065 16.113 1.379 1.00 21.52 O ATOM 106 CB ILE A 745 -6.539 15.036 0.232 1.00 19.52 C ATOM 107 CG1 ILE A 745 -6.523 13.722 1.074 1.00 18.45 C ATOM 108 CG2 ILE A 745 -7.769 15.138 -0.711 1.00 18.85 C ATOM 109 CD1 ILE A 745 -7.686 13.630 2.168 1.00 16.39 C ATOM 110 H ILE A 745 -5.226 13.204 -1.367 1.00 0.00 H ATOM 111 N GLU A 746 -2.943 14.578 0.149 1.00 23.30 N ATOM 112 CA GLU A 746 -1.762 14.608 1.001 1.00 24.04 C ATOM 113 C GLU A 746 -1.165 16.023 1.014 1.00 27.45 C ATOM 114 O GLU A 746 -0.974 16.616 -0.043 1.00 27.29 O ATOM 115 CB GLU A 746 -0.738 13.547 0.548 1.00 25.46 C ATOM 116 CG GLU A 746 0.438 13.350 1.497 1.00 35.20 C ATOM 117 CD GLU A 746 0.158 12.960 2.939 1.00 44.59 C ATOM 118 OE1 GLU A 746 1.056 13.184 3.780 1.00 53.24 O ATOM 119 OE2 GLU A 746 -0.955 12.473 3.244 1.00 28.77 O ATOM 120 H GLU A 746 -2.957 13.952 -0.681 1.00 0.00 H ATOM 121 N PRO A 747 -1.004 16.640 2.197 1.00 27.76 N ATOM 122 CA PRO A 747 -0.491 18.021 2.230 1.00 28.42 C ATOM 123 C PRO A 747 0.873 18.129 1.571 1.00 31.16 C ATOM 124 O PRO A 747 1.647 17.185 1.610 1.00 30.26 O ATOM 125 CB PRO A 747 -0.400 18.323 3.732 1.00 30.36 C ATOM 126 CG PRO A 747 -1.461 17.413 4.350 1.00 35.29 C ATOM 127 CD PRO A 747 -1.289 16.139 3.561 1.00 30.06 C ATOM 128 N GLU A 748 1.138 19.258 0.940 1.00 27.60 N ATOM 129 CA GLU A 748 2.415 19.533 0.323 1.00 28.24 C ATOM 130 C GLU A 748 3.461 19.792 1.425 1.00 32.27 C ATOM 131 O GLU A 748 3.104 20.221 2.514 1.00 28.35 O ATOM 132 CB GLU A 748 2.307 20.749 -0.612 1.00 29.69 C ATOM 133 CG GLU A 748 1.893 22.060 0.037 1.00 44.42 C ATOM 134 CD GLU A 748 2.194 23.304 -0.778 1.00 84.51 C ATOM 135 OE1 GLU A 748 1.984 23.281 -2.014 1.00 88.16 O ATOM 136 OE2 GLU A 748 2.610 24.317 -0.171 1.00 86.12 O ATOM 137 H GLU A 748 0.394 19.982 0.885 1.00 0.00 H ATOM 138 N ILE A 749 4.731 19.478 1.155 1.00 31.06 N ATOM 139 CA ILE A 749 5.826 19.717 2.117 1.00 31.30 C ATOM 140 C ILE A 749 5.975 21.244 2.371 1.00 29.87 C ATOM 141 O ILE A 749 5.781 22.033 1.454 1.00 30.69 O ATOM 142 CB ILE A 749 7.112 19.012 1.586 1.00 36.16 C ATOM 143 CG1 ILE A 749 8.289 19.103 2.560 1.00 37.48 C ATOM 144 CG2 ILE A 749 7.505 19.494 0.197 1.00 38.77 C ATOM 145 CD1 ILE A 749 9.194 17.963 2.417 1.00 40.13 C ATOM 146 H ILE A 749 4.957 19.050 0.234 1.00 0.00 H ATOM 147 N VAL A 750 6.228 21.643 3.617 1.00 21.93 N ATOM 148 CA VAL A 750 6.400 23.033 4.021 1.00 21.21 C ATOM 149 C VAL A 750 7.810 23.255 4.599 1.00 20.97 C ATOM 150 O VAL A 750 8.438 22.302 5.110 1.00 19.03 O ATOM 151 CB VAL A 750 5.299 23.542 4.994 1.00 25.51 C ATOM 152 CG1 VAL A 750 3.914 23.557 4.331 1.00 26.08 C ATOM 153 CG2 VAL A 750 5.280 22.756 6.295 1.00 25.34 C ATOM 154 H VAL A 750 6.308 20.912 4.352 1.00 0.00 H ATOM 155 N TYR A 751 8.288 24.502 4.533 1.00 16.84 N ATOM 156 CA TYR A 751 9.604 24.834 5.058 1.00 17.29 C ATOM 157 C TYR A 751 9.533 25.100 6.546 1.00 21.18 C ATOM 158 O TYR A 751 8.518 25.594 7.034 1.00 20.45 O ATOM 159 CB TYR A 751 10.195 26.074 4.357 1.00 18.81 C ATOM 160 CG TYR A 751 10.347 25.920 2.863 1.00 20.82 C ATOM 161 CD1 TYR A 751 11.359 25.130 2.323 1.00 21.02 C ATOM 162 CD2 TYR A 751 9.514 26.610 1.987 1.00 23.44 C ATOM 163 CE1 TYR A 751 11.508 24.991 0.942 1.00 20.20 C ATOM 164 CE2 TYR A 751 9.677 26.511 0.607 1.00 24.95 C ATOM 165 CZ TYR A 751 10.685 25.713 0.089 1.00 28.70 C ATOM 166 OH TYR A 751 10.793 25.600 -1.271 1.00 26.05 O ATOM 167 HH TYR A 751 9.955 25.220 -1.637 1.00 0.00 H ATOM 168 H TYR A 751 7.709 25.248 4.098 1.00 0.00 H ATOM 169 N ALA A 752 10.649 24.862 7.244 1.00 19.34 N ATOM 170 CA ALA A 752 10.725 25.119 8.669 1.00 20.88 C ATOM 171 C ALA A 752 10.956 26.591 8.964 1.00 27.66 C ATOM 172 O ALA A 752 10.466 27.082 9.987 1.00 29.06 O ATOM 173 CB ALA A 752 11.829 24.281 9.289 1.00 21.47 C ATOM 174 H ALA A 752 11.483 24.483 6.752 1.00 0.00 H ATOM 175 N GLY A 753 11.685 27.275 8.081 1.00 23.58 N ATOM 176 CA GLY A 753 12.075 28.665 8.278 1.00 24.72 C ATOM 177 C GLY A 753 13.236 28.702 9.248 1.00 30.45 C ATOM 178 O GLY A 753 13.286 29.544 10.142 1.00 34.29 O ATOM 179 H GLY A 753 11.989 26.794 7.211 1.00 0.00 H ATOM 180 N TYR A 754 14.124 27.718 9.133 1.00 24.26 N ATOM 181 CA TYR A 754 15.295 27.530 9.967 1.00 22.84 C ATOM 182 C TYR A 754 16.364 28.568 9.635 1.00 28.78 C ATOM 183 O TYR A 754 16.748 28.692 8.471 1.00 27.55 O ATOM 184 CB TYR A 754 15.845 26.124 9.725 1.00 23.24 C ATOM 185 CG TYR A 754 17.200 25.870 10.334 1.00 25.17 C ATOM 186 CD1 TYR A 754 17.411 26.011 11.706 1.00 26.79 C ATOM 187 CD2 TYR A 754 18.263 25.440 9.550 1.00 26.77 C ATOM 188 CE1 TYR A 754 18.663 25.770 12.270 1.00 29.10 C ATOM 189 CE2 TYR A 754 19.511 25.189 10.102 1.00 28.16 C ATOM 190 CZ TYR A 754 19.708 25.357 11.461 1.00 37.43 C ATOM 191 OH TYR A 754 20.946 25.080 11.970 1.00 38.33 O ATOM 192 HH TYR A 754 20.944 25.243 12.947 1.00 0.00 H ATOM 193 H TYR A 754 13.964 27.021 8.377 1.00 0.00 H ATOM 194 N ASP A 755 16.840 29.290 10.663 1.00 26.90 N ATOM 195 CA ASP A 755 17.868 30.319 10.515 1.00 27.96 C ATOM 196 C ASP A 755 19.226 29.723 10.901 1.00 31.68 C ATOM 197 O ASP A 755 19.557 29.635 12.081 1.00 31.45 O ATOM 198 CB ASP A 755 17.498 31.565 11.356 1.00 29.95 C ATOM 199 CG ASP A 755 18.387 32.781 11.145 1.00 39.64 C ATOM 200 OD1 ASP A 755 19.480 32.624 10.574 1.00 39.29 O ATOM 201 OD2 ASP A 755 17.967 33.892 11.518 1.00 44.95 O ATOM 202 H ASP A 755 16.458 29.108 11.613 1.00 0.00 H ATOM 203 N SER A 756 19.985 29.254 9.890 1.00 30.27 N ATOM 204 CA SER A 756 21.297 28.631 10.077 1.00 30.69 C ATOM 205 C SER A 756 22.395 29.632 10.491 1.00 37.61 C ATOM 206 O SER A 756 23.504 29.214 10.801 1.00 37.00 O ATOM 207 CB SER A 756 21.715 27.857 8.830 1.00 32.41 C ATOM 208 OG SER A 756 21.782 28.684 7.679 1.00 37.78 O ATOM 209 HG SER A 756 22.056 28.140 6.899 1.00 0.00 H ATOM 210 H SER A 756 19.617 29.340 8.921 1.00 0.00 H ATOM 211 N SER A 757 22.082 30.932 10.514 1.00 37.65 N ATOM 212 CA SER A 757 23.016 31.966 10.966 1.00 39.25 C ATOM 213 C SER A 757 22.969 32.072 12.491 1.00 48.32 C ATOM 214 O SER A 757 23.975 32.425 13.099 1.00 50.51 O ATOM 215 CB SER A 757 22.722 33.308 10.296 1.00 41.12 C ATOM 216 OG SER A 757 21.699 34.043 10.947 1.00 49.05 O ATOM 217 HG SER A 757 20.861 33.515 10.943 1.00 0.00 H ATOM 218 H SER A 757 21.135 31.221 10.197 1.00 0.00 H ATOM 219 N LYS A 758 21.810 31.746 13.107 1.00 46.19 N ATOM 220 CA LYS A 758 21.602 31.768 14.564 1.00 46.46 C ATOM 221 C LYS A 758 22.295 30.559 15.218 1.00 51.96 C ATOM 222 O LYS A 758 22.363 29.499 14.578 1.00 52.04 O ATOM 223 CB LYS A 758 20.100 31.781 14.907 1.00 49.53 C ATOM 224 CG LYS A 758 19.395 33.105 14.593 1.00 67.08 C ATOM 225 CD LYS A 758 19.260 34.026 15.818 1.00 81.12 C ATOM 226 CE LYS A 758 17.961 33.845 16.576 1.00 93.06 C ATOM 227 NZ LYS A 758 16.799 34.412 15.839 1.00102.13 N ATOM 228 HZ1 LYS A 758 16.948 35.430 15.689 1.00 0.00 H ATOM 229 HZ2 LYS A 758 16.707 33.935 14.919 1.00 0.00 H ATOM 230 HZ3 LYS A 758 15.932 34.265 16.395 1.00 0.00 H ATOM 231 H LYS A 758 21.009 31.459 12.509 1.00 0.00 H ATOM 232 N PRO A 759 22.824 30.676 16.473 1.00 48.13 N ATOM 233 CA PRO A 759 23.524 29.530 17.079 1.00 47.24 C ATOM 234 C PRO A 759 22.605 28.337 17.264 1.00 48.61 C ATOM 235 O PRO A 759 21.434 28.521 17.606 1.00 48.03 O ATOM 236 CB PRO A 759 24.054 30.087 18.406 1.00 49.20 C ATOM 237 CG PRO A 759 23.210 31.268 18.694 1.00 53.56 C ATOM 238 CD PRO A 759 22.851 31.853 17.371 1.00 49.45 C ATOM 239 N ASP A 760 23.109 27.128 16.962 1.00 42.56 N ATOM 240 CA ASP A 760 22.313 25.913 17.056 1.00 41.14 C ATOM 241 C ASP A 760 22.240 25.402 18.456 1.00 42.56 C ATOM 242 O ASP A 760 22.785 24.344 18.775 1.00 43.75 O ATOM 243 CB ASP A 760 22.798 24.829 16.093 1.00 42.90 C ATOM 244 CG ASP A 760 22.390 25.085 14.672 1.00 47.08 C ATOM 245 OD1 ASP A 760 21.362 25.764 14.466 1.00 45.90 O ATOM 246 OD2 ASP A 760 23.117 24.638 13.759 1.00 52.55 O ATOM 247 H ASP A 760 24.099 27.059 16.651 1.00 0.00 H ATOM 248 N THR A 761 21.561 26.171 19.300 1.00 35.51 N ATOM 249 CA THR A 761 21.321 25.815 20.686 1.00 33.81 C ATOM 250 C THR A 761 20.075 24.929 20.669 1.00 32.87 C ATOM 251 O THR A 761 19.356 24.917 19.658 1.00 31.03 O ATOM 252 CB THR A 761 21.080 27.078 21.498 1.00 38.69 C ATOM 253 OG1 THR A 761 19.923 27.741 20.979 1.00 34.68 O ATOM 254 CG2 THR A 761 22.295 28.029 21.504 1.00 38.03 C ATOM 255 HG1 THR A 761 19.755 28.566 21.500 1.00 0.00 H ATOM 256 H THR A 761 21.182 27.074 18.950 1.00 0.00 H ATOM 257 N ALA A 762 19.813 24.222 21.777 1.00 28.05 N ATOM 258 CA ALA A 762 18.645 23.367 21.926 1.00 28.51 C ATOM 259 C ALA A 762 17.381 24.241 21.830 1.00 33.25 C ATOM 260 O ALA A 762 16.460 23.880 21.106 1.00 32.10 O ATOM 261 CB ALA A 762 18.695 22.626 23.256 1.00 28.94 C ATOM 262 H ALA A 762 20.480 24.288 22.572 1.00 0.00 H ATOM 263 N GLU A 763 17.398 25.443 22.445 1.00 30.24 N ATOM 264 CA GLU A 763 16.253 26.356 22.415 1.00 31.04 C ATOM 265 C GLU A 763 15.928 26.873 21.017 1.00 32.07 C ATOM 266 O GLU A 763 14.749 26.936 20.685 1.00 31.43 O ATOM 267 CB GLU A 763 16.377 27.511 23.425 1.00 33.32 C ATOM 268 CG GLU A 763 17.604 28.400 23.271 1.00 50.93 C ATOM 269 CD GLU A 763 18.892 27.982 23.968 1.00 68.84 C ATOM 270 OE1 GLU A 763 19.069 26.776 24.272 1.00 48.14 O ATOM 271 OE2 GLU A 763 19.773 28.863 24.110 1.00 51.00 O ATOM 272 H GLU A 763 18.255 25.731 22.959 1.00 0.00 H ATOM 273 N ASN A 764 16.943 27.189 20.188 1.00 26.35 N ATOM 274 CA ASN A 764 16.705 27.677 18.824 1.00 26.22 C ATOM 275 C ASN A 764 16.163 26.557 17.918 1.00 26.57 C ATOM 276 O ASN A 764 15.188 26.776 17.171 1.00 24.53 O ATOM 277 CB ASN A 764 17.962 28.332 18.241 1.00 27.79 C ATOM 278 CG ASN A 764 18.254 29.692 18.859 1.00 53.83 C ATOM 279 OD1 ASN A 764 17.378 30.342 19.448 1.00 43.07 O ATOM 280 ND2 ASN A 764 19.486 30.169 18.728 1.00 45.50 N ATOM 281 HD22 ASN A 764 20.209 29.611 18.231 1.00 0.00 H ATOM 282 HD21 ASN A 764 19.728 31.101 19.122 1.00 0.00 H ATOM 283 H ASN A 764 17.922 27.084 20.524 1.00 0.00 H ATOM 284 N LEU A 765 16.790 25.368 17.987 1.00 22.83 N ATOM 285 CA LEU A 765 16.326 24.207 17.204 1.00 22.58 C ATOM 286 C LEU A 765 14.911 23.810 17.629 1.00 23.29 C ATOM 287 O LEU A 765 14.061 23.606 16.762 1.00 23.15 O ATOM 288 CB LEU A 765 17.274 22.999 17.324 1.00 22.96 C ATOM 289 CG LEU A 765 18.662 23.108 16.652 1.00 28.49 C ATOM 290 CD1 LEU A 765 19.508 21.877 16.986 1.00 28.06 C ATOM 291 CD2 LEU A 765 18.549 23.254 15.127 1.00 29.81 C ATOM 292 H LEU A 765 17.620 25.266 18.606 1.00 0.00 H ATOM 293 N LEU A 766 14.635 23.746 18.945 1.00 20.43 N ATOM 294 CA LEU A 766 13.293 23.374 19.415 1.00 21.33 C ATOM 295 C LEU A 766 12.240 24.382 19.001 1.00 20.96 C ATOM 296 O LEU A 766 11.184 23.968 18.547 1.00 19.31 O ATOM 297 CB LEU A 766 13.221 23.078 20.936 1.00 22.54 C ATOM 298 CG LEU A 766 14.013 21.854 21.425 1.00 28.60 C ATOM 299 CD1 LEU A 766 14.035 21.786 22.935 1.00 29.78 C ATOM 300 CD2 LEU A 766 13.484 20.565 20.843 1.00 28.52 C ATOM 301 H LEU A 766 15.380 23.962 19.637 1.00 0.00 H ATOM 302 N SER A 767 12.555 25.696 19.080 1.00 17.76 N ATOM 303 CA SER A 767 11.634 26.767 18.674 1.00 17.53 C ATOM 304 C SER A 767 11.317 26.645 17.188 1.00 20.70 C ATOM 305 O SER A 767 10.163 26.807 16.802 1.00 17.66 O ATOM 306 CB SER A 767 12.204 28.148 18.996 1.00 20.50 C ATOM 307 OG SER A 767 12.167 28.339 20.405 1.00 22.24 O ATOM 308 HG SER A 767 12.710 27.639 20.846 1.00 0.00 H ATOM 309 H SER A 767 13.492 25.960 19.445 1.00 0.00 H ATOM 310 N THR A 768 12.338 26.306 16.364 1.00 19.12 N ATOM 311 CA THR A 768 12.154 26.105 14.915 1.00 17.82 C ATOM 312 C THR A 768 11.243 24.901 14.673 1.00 17.81 C ATOM 313 O THR A 768 10.341 24.987 13.848 1.00 17.49 O ATOM 314 CB THR A 768 13.507 25.929 14.194 1.00 21.86 C ATOM 315 OG1 THR A 768 14.244 27.115 14.410 1.00 22.00 O ATOM 316 CG2 THR A 768 13.346 25.737 12.675 1.00 20.18 C ATOM 317 HG1 THR A 768 14.378 27.246 15.382 1.00 0.00 H ATOM 318 H THR A 768 13.288 26.183 16.769 1.00 0.00 H ATOM 319 N LEU A 769 11.489 23.798 15.367 1.00 16.65 N ATOM 320 CA LEU A 769 10.664 22.582 15.245 1.00 17.42 C ATOM 321 C LEU A 769 9.212 22.862 15.629 1.00 19.46 C ATOM 322 O LEU A 769 8.302 22.367 14.966 1.00 16.55 O ATOM 323 CB LEU A 769 11.240 21.455 16.104 1.00 17.26 C ATOM 324 CG LEU A 769 12.496 20.775 15.552 1.00 22.40 C ATOM 325 CD1 LEU A 769 13.063 19.802 16.564 1.00 22.30 C ATOM 326 CD2 LEU A 769 12.194 20.035 14.261 1.00 26.82 C ATOM 327 H LEU A 769 12.296 23.790 16.023 1.00 0.00 H ATOM 328 N ASN A 770 9.002 23.662 16.699 1.00 16.18 N ATOM 329 CA ASN A 770 7.658 24.030 17.165 1.00 16.74 C ATOM 330 C ASN A 770 6.919 24.877 16.140 1.00 19.29 C ATOM 331 O ASN A 770 5.724 24.650 15.892 1.00 16.43 O ATOM 332 CB ASN A 770 7.727 24.723 18.540 1.00 16.50 C ATOM 333 CG ASN A 770 8.117 23.755 19.620 1.00 20.94 C ATOM 334 OD1 ASN A 770 8.182 22.562 19.402 1.00 21.76 O ATOM 335 ND2 ASN A 770 8.445 24.238 20.803 1.00 19.64 N ATOM 336 HD22 ASN A 770 8.387 25.261 20.981 1.00 0.00 H ATOM 337 HD21 ASN A 770 8.762 23.596 21.557 1.00 0.00 H ATOM 338 H ASN A 770 9.826 24.032 17.214 1.00 0.00 H ATOM 339 N ARG A 771 7.627 25.855 15.546 1.00 16.99 N ATOM 340 CA ARG A 771 7.062 26.716 14.498 1.00 17.28 C ATOM 341 C ARG A 771 6.648 25.820 13.321 1.00 19.28 C ATOM 342 O ARG A 771 5.514 25.935 12.823 1.00 18.02 O ATOM 343 CB ARG A 771 8.111 27.772 14.075 1.00 20.41 C ATOM 344 CG ARG A 771 7.744 28.625 12.869 1.00 35.90 C ATOM 345 CD ARG A 771 8.651 29.857 12.742 1.00 44.27 C ATOM 346 NE ARG A 771 10.050 29.556 12.391 1.00 57.19 N ATOM 347 CZ ARG A 771 11.079 29.576 13.243 1.00 66.17 C ATOM 348 NH1 ARG A 771 12.310 29.333 12.813 1.00 41.25 N ATOM 349 NH2 ARG A 771 10.881 29.835 14.531 1.00 55.65 N ATOM 350 HE ARG A 771 10.253 29.308 11.401 1.00 0.00 H ATOM 351 HH12 ARG A 771 13.107 29.350 13.481 1.00 0.00 H ATOM 352 HH11 ARG A 771 12.478 29.125 11.808 1.00 0.00 H ATOM 353 HH22 ARG A 771 11.687 29.849 15.188 1.00 0.00 H ATOM 354 HH21 ARG A 771 9.920 30.024 14.882 1.00 0.00 H ATOM 355 H ARG A 771 8.613 26.007 15.840 1.00 0.00 H ATOM 356 N LEU A 772 7.534 24.890 12.920 1.00 15.79 N ATOM 357 CA LEU A 772 7.211 23.960 11.846 1.00 16.34 C ATOM 358 C LEU A 772 5.971 23.086 12.193 1.00 17.43 C ATOM 359 O LEU A 772 5.131 22.906 11.331 1.00 16.30 O ATOM 360 CB LEU A 772 8.428 23.123 11.408 1.00 16.51 C ATOM 361 CG LEU A 772 8.194 21.993 10.387 1.00 20.23 C ATOM 362 CD1 LEU A 772 7.798 22.533 9.022 1.00 20.07 C ATOM 363 CD2 LEU A 772 9.436 21.088 10.272 1.00 19.52 C ATOM 364 H LEU A 772 8.463 24.834 13.384 1.00 0.00 H ATOM 365 N ALA A 773 5.878 22.540 13.424 1.00 13.83 N ATOM 366 CA ALA A 773 4.730 21.715 13.867 1.00 15.61 C ATOM 367 C ALA A 773 3.423 22.505 13.801 1.00 18.72 C ATOM 368 O ALA A 773 2.418 21.954 13.382 1.00 15.53 O ATOM 369 CB ALA A 773 4.952 21.189 15.287 1.00 15.85 C ATOM 370 H ALA A 773 6.653 22.707 14.097 1.00 0.00 H ATOM 371 N GLY A 774 3.465 23.787 14.180 1.00 15.99 N ATOM 372 CA GLY A 774 2.286 24.651 14.131 1.00 15.92 C ATOM 373 C GLY A 774 1.788 24.761 12.700 1.00 18.10 C ATOM 374 O GLY A 774 0.596 24.581 12.449 1.00 17.64 O ATOM 375 H GLY A 774 4.365 24.182 14.520 1.00 0.00 H ATOM 376 N LYS A 775 2.701 25.029 11.754 1.00 15.64 N ATOM 377 CA LYS A 775 2.334 25.143 10.328 1.00 17.42 C ATOM 378 C LYS A 775 1.798 23.785 9.806 1.00 19.04 C ATOM 379 O LYS A 775 0.767 23.738 9.126 1.00 16.93 O ATOM 380 CB LYS A 775 3.525 25.575 9.455 1.00 20.54 C ATOM 381 CG LYS A 775 4.170 26.909 9.811 1.00 42.94 C ATOM 382 CD LYS A 775 5.195 27.292 8.747 1.00 53.43 C ATOM 383 CE LYS A 775 6.472 27.874 9.319 1.00 62.99 C ATOM 384 NZ LYS A 775 7.412 26.815 9.789 1.00 58.83 N ATOM 385 HZ1 LYS A 775 6.953 26.250 10.531 1.00 0.00 H ATOM 386 HZ2 LYS A 775 7.666 26.199 8.990 1.00 0.00 H ATOM 387 HZ3 LYS A 775 8.270 27.260 10.172 1.00 0.00 H ATOM 388 H LYS A 775 3.694 25.160 12.033 1.00 0.00 H ATOM 389 N GLN A 776 2.466 22.684 10.167 1.00 15.58 N ATOM 390 CA GLN A 776 1.998 21.350 9.751 1.00 16.02 C ATOM 391 C GLN A 776 0.637 20.988 10.369 1.00 17.64 C ATOM 392 O GLN A 776 -0.126 20.290 9.732 1.00 16.54 O ATOM 393 CB GLN A 776 3.030 20.272 10.071 1.00 16.52 C ATOM 394 CG GLN A 776 4.293 20.373 9.182 1.00 16.09 C ATOM 395 CD GLN A 776 5.324 19.348 9.569 1.00 20.99 C ATOM 396 OE1 GLN A 776 5.278 18.781 10.653 1.00 18.78 O ATOM 397 NE2 GLN A 776 6.316 19.143 8.721 1.00 22.89 N ATOM 398 HE22 GLN A 776 6.329 19.638 7.807 1.00 0.00 H ATOM 399 HE21 GLN A 776 7.084 18.486 8.968 1.00 0.00 H ATOM 400 H GLN A 776 3.325 22.770 10.747 1.00 0.00 H ATOM 401 N MET A 777 0.328 21.465 11.590 1.00 15.55 N ATOM 402 CA MET A 777 -0.972 21.189 12.202 1.00 15.12 C ATOM 403 C MET A 777 -2.105 21.902 11.454 1.00 20.14 C ATOM 404 O MET A 777 -3.198 21.364 11.363 1.00 19.02 O ATOM 405 CB MET A 777 -0.984 21.453 13.715 1.00 16.96 C ATOM 406 CG MET A 777 -0.271 20.332 14.514 1.00 17.84 C ATOM 407 SD MET A 777 -0.746 18.625 14.085 1.00 20.78 S ATOM 408 CE MET A 777 -2.606 18.712 14.320 1.00 18.34 C ATOM 409 H MET A 777 1.025 22.039 12.106 1.00 0.00 H ATOM 410 N ILE A 778 -1.823 23.067 10.859 1.00 17.84 N ATOM 411 CA ILE A 778 -2.814 23.739 10.024 1.00 18.42 C ATOM 412 C ILE A 778 -3.081 22.849 8.807 1.00 19.07 C ATOM 413 O ILE A 778 -4.235 22.616 8.469 1.00 19.28 O ATOM 414 CB ILE A 778 -2.402 25.185 9.632 1.00 22.08 C ATOM 415 CG1 ILE A 778 -2.375 26.087 10.892 1.00 23.38 C ATOM 416 CG2 ILE A 778 -3.386 25.744 8.572 1.00 24.05 C ATOM 417 CD1 ILE A 778 -1.673 27.426 10.664 1.00 28.32 C ATOM 418 H ILE A 778 -0.886 23.499 10.993 1.00 0.00 H ATOM 419 N GLN A 779 -2.027 22.282 8.210 1.00 16.19 N ATOM 420 CA GLN A 779 -2.213 21.348 7.082 1.00 16.56 C ATOM 421 C GLN A 779 -2.975 20.091 7.488 1.00 19.58 C ATOM 422 O GLN A 779 -3.826 19.625 6.721 1.00 17.11 O ATOM 423 CB GLN A 779 -0.889 20.917 6.497 1.00 17.90 C ATOM 424 CG GLN A 779 -0.066 22.065 5.956 1.00 20.55 C ATOM 425 CD GLN A 779 1.132 21.435 5.334 1.00 29.43 C ATOM 426 OE1 GLN A 779 1.926 20.766 6.007 1.00 25.39 O ATOM 427 NE2 GLN A 779 1.234 21.563 4.028 1.00 22.02 N ATOM 428 HE22 GLN A 779 0.541 22.137 3.506 1.00 0.00 H ATOM 429 HE21 GLN A 779 2.007 21.090 3.518 1.00 0.00 H ATOM 430 H GLN A 779 -1.067 22.501 8.544 1.00 0.00 H ATOM 431 N VAL A 780 -2.692 19.557 8.694 1.00 15.46 N ATOM 432 CA VAL A 780 -3.398 18.375 9.177 1.00 16.22 C ATOM 433 C VAL A 780 -4.911 18.654 9.282 1.00 18.93 C ATOM 434 O VAL A 780 -5.712 17.836 8.868 1.00 17.47 O ATOM 435 CB VAL A 780 -2.815 17.893 10.538 1.00 19.94 C ATOM 436 CG1 VAL A 780 -3.773 16.910 11.229 1.00 20.26 C ATOM 437 CG2 VAL A 780 -1.435 17.279 10.348 1.00 19.35 C ATOM 438 H VAL A 780 -1.959 19.994 9.289 1.00 0.00 H ATOM 439 N VAL A 781 -5.293 19.801 9.824 1.00 17.71 N ATOM 440 CA VAL A 781 -6.717 20.134 9.949 1.00 19.02 C ATOM 441 C VAL A 781 -7.392 20.252 8.567 1.00 21.87 C ATOM 442 O VAL A 781 -8.486 19.712 8.369 1.00 21.11 O ATOM 443 CB VAL A 781 -6.967 21.381 10.834 1.00 23.23 C ATOM 444 CG1 VAL A 781 -8.467 21.657 10.924 1.00 24.34 C ATOM 445 CG2 VAL A 781 -6.377 21.191 12.233 1.00 22.32 C ATOM 446 H VAL A 781 -4.576 20.473 10.165 1.00 0.00 H ATOM 447 N LYS A 782 -6.721 20.899 7.614 1.00 18.38 N ATOM 448 CA LYS A 782 -7.253 21.051 6.248 1.00 18.85 C ATOM 449 C LYS A 782 -7.403 19.695 5.549 1.00 21.89 C ATOM 450 O LYS A 782 -8.399 19.457 4.860 1.00 21.21 O ATOM 451 CB LYS A 782 -6.392 22.006 5.427 1.00 22.16 C ATOM 452 CG LYS A 782 -6.441 23.433 5.989 1.00 44.14 C ATOM 453 CD LYS A 782 -5.795 24.455 5.066 1.00 58.57 C ATOM 454 CE LYS A 782 -6.072 25.863 5.546 1.00 69.49 C ATOM 455 NZ LYS A 782 -5.579 26.876 4.578 1.00 78.42 N ATOM 456 HZ1 LYS A 782 -4.552 26.766 4.456 1.00 0.00 H ATOM 457 HZ2 LYS A 782 -6.055 26.740 3.663 1.00 0.00 H ATOM 458 HZ3 LYS A 782 -5.786 27.829 4.940 1.00 0.00 H ATOM 459 H LYS A 782 -5.793 21.309 7.842 1.00 0.00 H ATOM 460 N TRP A 783 -6.442 18.781 5.798 1.00 17.98 N ATOM 461 CA TRP A 783 -6.445 17.416 5.266 1.00 17.83 C ATOM 462 C TRP A 783 -7.607 16.620 5.888 1.00 18.34 C ATOM 463 O TRP A 783 -8.368 15.974 5.158 1.00 16.29 O ATOM 464 CB TRP A 783 -5.084 16.747 5.599 1.00 16.57 C ATOM 465 CG TRP A 783 -5.047 15.246 5.495 1.00 17.47 C ATOM 466 CD1 TRP A 783 -4.836 14.499 4.365 1.00 19.97 C ATOM 467 CD2 TRP A 783 -5.048 14.324 6.594 1.00 17.05 C ATOM 468 NE1 TRP A 783 -4.765 13.164 4.688 1.00 18.61 N ATOM 469 CE2 TRP A 783 -4.884 13.027 6.052 1.00 20.54 C ATOM 470 CE3 TRP A 783 -5.231 14.465 7.990 1.00 18.44 C ATOM 471 CZ2 TRP A 783 -4.889 11.875 6.851 1.00 20.00 C ATOM 472 CZ3 TRP A 783 -5.203 13.326 8.787 1.00 19.60 C ATOM 473 CH2 TRP A 783 -5.042 12.051 8.219 1.00 20.41 C ATOM 474 HE1 TRP A 783 -4.641 12.384 4.011 1.00 0.00 H ATOM 475 H TRP A 783 -5.648 19.064 6.407 1.00 0.00 H ATOM 476 N ALA A 784 -7.736 16.662 7.226 1.00 16.23 N ATOM 477 CA ALA A 784 -8.808 15.943 7.936 1.00 17.80 C ATOM 478 C ALA A 784 -10.186 16.385 7.459 1.00 20.98 C ATOM 479 O ALA A 784 -11.070 15.538 7.270 1.00 19.70 O ATOM 480 CB ALA A 784 -8.687 16.145 9.445 1.00 18.17 C ATOM 481 H ALA A 784 -7.055 17.221 7.779 1.00 0.00 H ATOM 482 N LYS A 785 -10.349 17.686 7.187 1.00 19.23 N ATOM 483 CA LYS A 785 -11.626 18.218 6.698 1.00 20.42 C ATOM 484 C LYS A 785 -12.134 17.506 5.415 1.00 26.14 C ATOM 485 O LYS A 785 -13.337 17.287 5.290 1.00 26.46 O ATOM 486 CB LYS A 785 -11.505 19.723 6.413 1.00 21.50 C ATOM 487 CG LYS A 785 -11.698 20.579 7.634 1.00 40.52 C ATOM 488 CD LYS A 785 -11.498 22.037 7.282 1.00 47.76 C ATOM 489 CE LYS A 785 -12.751 22.699 6.753 1.00 52.40 C ATOM 490 NZ LYS A 785 -12.532 24.157 6.566 1.00 58.37 N ATOM 491 HZ1 LYS A 785 -12.281 24.589 7.478 1.00 0.00 H ATOM 492 HZ2 LYS A 785 -11.759 24.306 5.887 1.00 0.00 H ATOM 493 HZ3 LYS A 785 -13.403 24.593 6.202 1.00 0.00 H ATOM 494 H LYS A 785 -9.549 18.336 7.326 1.00 0.00 H ATOM 495 N VAL A 786 -11.213 17.114 4.504 1.00 19.27 N ATOM 496 CA VAL A 786 -11.557 16.491 3.217 1.00 18.24 C ATOM 497 C VAL A 786 -11.281 14.977 3.189 1.00 21.36 C ATOM 498 O VAL A 786 -11.306 14.354 2.135 1.00 20.08 O ATOM 499 CB VAL A 786 -10.888 17.235 2.025 1.00 21.76 C ATOM 500 CG1 VAL A 786 -11.503 18.620 1.839 1.00 22.23 C ATOM 501 CG2 VAL A 786 -9.363 17.309 2.176 1.00 20.98 C ATOM 502 H VAL A 786 -10.208 17.261 4.726 1.00 0.00 H ATOM 503 N LEU A 787 -11.030 14.396 4.358 1.00 19.58 N ATOM 504 CA LEU A 787 -10.750 12.983 4.509 1.00 20.28 C ATOM 505 C LEU A 787 -12.068 12.222 4.384 1.00 24.30 C ATOM 506 O LEU A 787 -13.006 12.557 5.107 1.00 24.92 O ATOM 507 CB LEU A 787 -10.136 12.799 5.904 1.00 20.76 C ATOM 508 CG LEU A 787 -9.328 11.574 6.159 1.00 27.08 C ATOM 509 CD1 LEU A 787 -8.158 11.479 5.185 1.00 26.23 C ATOM 510 CD2 LEU A 787 -8.767 11.618 7.583 1.00 28.05 C ATOM 511 H LEU A 787 -11.035 14.989 5.212 1.00 0.00 H ATOM 512 N PRO A 788 -12.225 11.270 3.439 1.00 22.99 N ATOM 513 CA PRO A 788 -13.541 10.583 3.320 1.00 22.75 C ATOM 514 C PRO A 788 -14.025 9.966 4.628 1.00 25.95 C ATOM 515 O PRO A 788 -13.265 9.282 5.319 1.00 24.85 O ATOM 516 CB PRO A 788 -13.323 9.561 2.208 1.00 24.15 C ATOM 517 CG PRO A 788 -12.135 10.092 1.431 1.00 28.64 C ATOM 518 CD PRO A 788 -11.257 10.769 2.437 1.00 24.33 C ATOM 519 N GLY A 789 -15.215 10.384 5.021 1.00 22.37 N ATOM 520 CA GLY A 789 -15.890 9.932 6.235 1.00 22.70 C ATOM 521 C GLY A 789 -15.707 10.815 7.456 1.00 25.19 C ATOM 522 O GLY A 789 -16.506 10.725 8.388 1.00 24.03 O ATOM 523 H GLY A 789 -15.704 11.082 4.426 1.00 0.00 H ATOM 524 N PHE A 790 -14.662 11.683 7.474 1.00 20.71 N ATOM 525 CA PHE A 790 -14.364 12.478 8.668 1.00 20.67 C ATOM 526 C PHE A 790 -15.470 13.460 9.038 1.00 25.71 C ATOM 527 O PHE A 790 -15.800 13.567 10.220 1.00 21.77 O ATOM 528 CB PHE A 790 -13.008 13.176 8.560 1.00 21.31 C ATOM 529 CG PHE A 790 -12.471 13.726 9.865 1.00 22.36 C ATOM 530 CD1 PHE A 790 -11.983 12.870 10.854 1.00 25.51 C ATOM 531 CD2 PHE A 790 -12.383 15.098 10.074 1.00 23.30 C ATOM 532 CE1 PHE A 790 -11.443 13.382 12.043 1.00 25.30 C ATOM 533 CE2 PHE A 790 -11.803 15.609 11.242 1.00 25.49 C ATOM 534 CZ PHE A 790 -11.350 14.745 12.220 1.00 22.80 C ATOM 535 H PHE A 790 -14.065 11.785 6.628 1.00 0.00 H ATOM 536 N LYS A 791 -16.074 14.120 8.024 1.00 28.16 N ATOM 537 CA LYS A 791 -17.211 15.055 8.140 1.00 29.71 C ATOM 538 C LYS A 791 -18.447 14.450 8.829 1.00 32.56 C ATOM 539 O LYS A 791 -19.228 15.205 9.403 1.00 34.00 O ATOM 540 CB LYS A 791 -17.620 15.609 6.756 1.00 34.64 C ATOM 541 CG LYS A 791 -18.148 14.550 5.768 1.00 58.79 C ATOM 542 CD LYS A 791 -19.284 15.072 4.901 1.00 72.10 C ATOM 543 CE LYS A 791 -20.128 13.969 4.301 1.00 88.93 C ATOM 544 NZ LYS A 791 -19.369 13.114 3.344 1.00101.64 N ATOM 545 HZ1 LYS A 791 -19.013 13.702 2.563 1.00 0.00 H ATOM 546 HZ2 LYS A 791 -18.569 12.669 3.838 1.00 0.00 H ATOM 547 HZ3 LYS A 791 -19.998 12.377 2.966 1.00 0.00 H ATOM 548 H LYS A 791 -15.701 13.952 7.068 1.00 0.00 H ATOM 549 N ASN A 792 -18.642 13.121 8.744 1.00 27.90 N ATOM 550 CA ASN A 792 -19.768 12.409 9.370 1.00 28.84 C ATOM 551 C ASN A 792 -19.649 12.463 10.895 1.00 33.30 C ATOM 552 O ASN A 792 -20.660 12.403 11.604 1.00 33.04 O ATOM 553 CB ASN A 792 -19.814 10.931 8.935 1.00 32.36 C ATOM 554 CG ASN A 792 -19.926 10.648 7.451 1.00 60.06 C ATOM 555 OD1 ASN A 792 -19.570 9.556 6.981 1.00 56.79 O ATOM 556 ND2 ASN A 792 -20.455 11.587 6.681 1.00 52.18 N ATOM 557 HD22 ASN A 792 -20.747 12.495 7.095 1.00 0.00 H ATOM 558 HD21 ASN A 792 -20.579 11.416 5.663 1.00 0.00 H ATOM 559 H ASN A 792 -17.953 12.562 8.202 1.00 0.00 H ATOM 560 N LEU A 793 -18.405 12.583 11.411 1.00 26.67 N ATOM 561 CA LEU A 793 -18.229 12.635 12.853 1.00 24.04 C ATOM 562 C LEU A 793 -18.596 14.012 13.367 1.00 26.17 C ATOM 563 O LEU A 793 -18.320 15.007 12.698 1.00 24.79 O ATOM 564 CB LEU A 793 -16.794 12.276 13.270 1.00 23.31 C ATOM 565 CG LEU A 793 -16.167 11.056 12.594 1.00 26.41 C ATOM 566 CD1 LEU A 793 -14.740 10.863 13.076 1.00 25.98 C ATOM 567 CD2 LEU A 793 -17.022 9.761 12.811 1.00 27.31 C ATOM 568 H LEU A 793 -17.580 12.638 10.781 1.00 0.00 H ATOM 569 N PRO A 794 -19.213 14.104 14.568 1.00 23.71 N ATOM 570 CA PRO A 794 -19.532 15.425 15.120 1.00 22.98 C ATOM 571 C PRO A 794 -18.273 16.249 15.351 1.00 25.87 C ATOM 572 O PRO A 794 -17.183 15.684 15.533 1.00 21.42 O ATOM 573 CB PRO A 794 -20.254 15.121 16.437 1.00 25.06 C ATOM 574 CG PRO A 794 -19.920 13.755 16.772 1.00 29.60 C ATOM 575 CD PRO A 794 -19.605 13.019 15.491 1.00 25.37 C ATOM 576 N LEU A 795 -18.429 17.584 15.271 1.00 25.41 N ATOM 577 CA LEU A 795 -17.345 18.556 15.449 1.00 25.74 C ATOM 578 C LEU A 795 -16.511 18.290 16.699 1.00 26.71 C ATOM 579 O LEU A 795 -15.281 18.291 16.603 1.00 23.58 O ATOM 580 CB LEU A 795 -17.863 20.002 15.428 1.00 26.33 C ATOM 581 CG LEU A 795 -16.805 21.087 15.697 1.00 32.72 C ATOM 582 CD1 LEU A 795 -15.766 21.164 14.555 1.00 32.76 C ATOM 583 CD2 LEU A 795 -17.453 22.435 15.990 1.00 35.19 C ATOM 584 H LEU A 795 -19.381 17.950 15.070 1.00 0.00 H ATOM 585 N GLU A 796 -17.173 18.054 17.859 1.00 23.33 N ATOM 586 CA GLU A 796 -16.493 17.778 19.124 1.00 23.73 C ATOM 587 C GLU A 796 -15.554 16.552 18.987 1.00 23.77 C ATOM 588 O GLU A 796 -14.451 16.588 19.513 1.00 23.15 O ATOM 589 CB GLU A 796 -17.509 17.539 20.254 1.00 25.65 C ATOM 590 CG GLU A 796 -16.883 17.558 21.642 1.00 43.41 C ATOM 591 CD GLU A 796 -17.740 17.175 22.836 1.00 70.35 C ATOM 592 OE1 GLU A 796 -18.942 17.531 22.865 1.00 61.03 O ATOM 593 OE2 GLU A 796 -17.179 16.574 23.781 1.00 65.37 O ATOM 594 H GLU A 796 -18.213 18.070 17.848 1.00 0.00 H ATOM 595 N ASP A 797 -15.999 15.495 18.283 1.00 19.90 N ATOM 596 CA ASP A 797 -15.198 14.280 18.077 1.00 18.92 C ATOM 597 C ASP A 797 -14.032 14.533 17.124 1.00 21.51 C ATOM 598 O ASP A 797 -12.964 13.966 17.318 1.00 17.77 O ATOM 599 CB ASP A 797 -16.069 13.108 17.583 1.00 21.08 C ATOM 600 CG ASP A 797 -17.021 12.572 18.640 1.00 24.45 C ATOM 601 OD1 ASP A 797 -16.873 12.965 19.836 1.00 26.07 O ATOM 602 OD2 ASP A 797 -17.875 11.722 18.292 1.00 25.69 O ATOM 603 H ASP A 797 -16.951 15.540 17.867 1.00 0.00 H ATOM 604 N GLN A 798 -14.245 15.368 16.095 1.00 18.54 N ATOM 605 CA GLN A 798 -13.215 15.725 15.106 1.00 18.93 C ATOM 606 C GLN A 798 -12.054 16.409 15.841 1.00 21.11 C ATOM 607 O GLN A 798 -10.891 16.059 15.643 1.00 17.69 O ATOM 608 CB GLN A 798 -13.808 16.682 14.071 1.00 20.35 C ATOM 609 CG GLN A 798 -14.700 16.014 13.031 1.00 22.11 C ATOM 610 CD GLN A 798 -15.239 17.050 12.062 1.00 30.75 C ATOM 611 OE1 GLN A 798 -14.680 18.131 11.875 1.00 32.33 O ATOM 612 NE2 GLN A 798 -16.396 16.799 11.503 1.00 34.43 N ATOM 613 HE22 GLN A 798 -16.864 15.884 11.664 1.00 0.00 H ATOM 614 HE21 GLN A 798 -16.847 17.514 10.898 1.00 0.00 H ATOM 615 H GLN A 798 -15.191 15.786 15.991 1.00 0.00 H ATOM 616 N ILE A 799 -12.396 17.343 16.732 1.00 18.38 N ATOM 617 CA ILE A 799 -11.444 18.081 17.560 1.00 18.79 C ATOM 618 C ILE A 799 -10.717 17.120 18.483 1.00 19.27 C ATOM 619 O ILE A 799 -9.484 17.156 18.535 1.00 18.71 O ATOM 620 CB ILE A 799 -12.147 19.232 18.329 1.00 22.16 C ATOM 621 CG1 ILE A 799 -12.554 20.342 17.334 1.00 22.80 C ATOM 622 CG2 ILE A 799 -11.240 19.788 19.455 1.00 24.17 C ATOM 623 CD1 ILE A 799 -13.600 21.208 17.801 1.00 30.00 C ATOM 624 H ILE A 799 -13.407 17.560 16.844 1.00 0.00 H ATOM 625 N THR A 800 -11.472 16.256 19.196 1.00 16.24 N ATOM 626 CA THR A 800 -10.875 15.279 20.117 1.00 16.08 C ATOM 627 C THR A 800 -9.795 14.427 19.380 1.00 19.23 C ATOM 628 O THR A 800 -8.685 14.269 19.888 1.00 17.29 O ATOM 629 CB THR A 800 -11.994 14.420 20.756 1.00 21.93 C ATOM 630 OG1 THR A 800 -12.796 15.277 21.570 1.00 21.73 O ATOM 631 CG2 THR A 800 -11.458 13.289 21.613 1.00 21.28 C ATOM 632 HG1 THR A 800 -13.190 15.990 21.008 1.00 0.00 H ATOM 633 H THR A 800 -12.506 16.283 19.090 1.00 0.00 H ATOM 634 N LEU A 801 -10.158 13.866 18.216 1.00 15.16 N ATOM 635 CA LEU A 801 -9.268 12.995 17.419 1.00 14.39 C ATOM 636 C LEU A 801 -7.986 13.698 16.969 1.00 18.72 C ATOM 637 O LEU A 801 -6.915 13.130 17.126 1.00 18.35 O ATOM 638 CB LEU A 801 -10.011 12.365 16.241 1.00 14.36 C ATOM 639 CG LEU A 801 -11.083 11.328 16.660 1.00 19.11 C ATOM 640 CD1 LEU A 801 -11.958 10.964 15.487 1.00 20.96 C ATOM 641 CD2 LEU A 801 -10.451 10.078 17.308 1.00 18.27 C ATOM 642 H LEU A 801 -11.115 14.054 17.856 1.00 0.00 H ATOM 643 N ILE A 802 -8.100 14.936 16.504 1.00 15.78 N ATOM 644 CA ILE A 802 -6.939 15.736 16.087 1.00 15.89 C ATOM 645 C ILE A 802 -6.032 16.015 17.292 1.00 18.26 C ATOM 646 O ILE A 802 -4.827 15.842 17.185 1.00 16.08 O ATOM 647 CB ILE A 802 -7.374 17.015 15.332 1.00 18.32 C ATOM 648 CG1 ILE A 802 -8.019 16.627 13.960 1.00 18.84 C ATOM 649 CG2 ILE A 802 -6.200 17.996 15.122 1.00 18.47 C ATOM 650 CD1 ILE A 802 -8.814 17.775 13.293 1.00 20.06 C ATOM 651 H ILE A 802 -9.048 15.357 16.432 1.00 0.00 H ATOM 652 N GLN A 803 -6.627 16.406 18.433 1.00 16.32 N ATOM 653 CA GLN A 803 -5.898 16.737 19.666 1.00 15.80 C ATOM 654 C GLN A 803 -5.170 15.534 20.263 1.00 19.71 C ATOM 655 O GLN A 803 -4.068 15.694 20.775 1.00 19.30 O ATOM 656 CB GLN A 803 -6.833 17.355 20.704 1.00 16.51 C ATOM 657 CG GLN A 803 -7.302 18.770 20.365 1.00 27.52 C ATOM 658 CD GLN A 803 -8.355 19.247 21.352 1.00 44.29 C ATOM 659 OE1 GLN A 803 -9.187 18.481 21.854 1.00 44.85 O ATOM 660 NE2 GLN A 803 -8.404 20.532 21.587 1.00 37.69 N ATOM 661 HE22 GLN A 803 -7.699 21.166 21.159 1.00 0.00 H ATOM 662 HE21 GLN A 803 -9.148 20.920 22.202 1.00 0.00 H ATOM 663 H GLN A 803 -7.664 16.479 18.444 1.00 0.00 H ATOM 664 N TYR A 804 -5.783 14.336 20.249 1.00 16.99 N ATOM 665 CA TYR A 804 -5.099 13.157 20.769 1.00 17.13 C ATOM 666 C TYR A 804 -4.021 12.609 19.819 1.00 19.34 C ATOM 667 O TYR A 804 -3.066 11.981 20.275 1.00 19.82 O ATOM 668 CB TYR A 804 -6.091 12.010 21.077 1.00 19.80 C ATOM 669 CG TYR A 804 -6.794 12.111 22.417 1.00 27.29 C ATOM 670 CD1 TYR A 804 -6.072 12.228 23.603 1.00 31.02 C ATOM 671 CD2 TYR A 804 -8.176 12.002 22.508 1.00 29.70 C ATOM 672 CE1 TYR A 804 -6.720 12.349 24.836 1.00 34.42 C ATOM 673 CE2 TYR A 804 -8.832 12.080 23.737 1.00 31.51 C ATOM 674 CZ TYR A 804 -8.104 12.295 24.894 1.00 42.19 C ATOM 675 OH TYR A 804 -8.764 12.416 26.094 1.00 46.21 O ATOM 676 HH TYR A 804 -9.388 13.184 26.050 1.00 0.00 H ATOM 677 H TYR A 804 -6.746 14.251 19.867 1.00 0.00 H ATOM 678 N SER A 805 -4.241 12.719 18.511 1.00 14.27 N ATOM 679 CA SER A 805 -3.348 12.088 17.539 1.00 13.52 C ATOM 680 C SER A 805 -2.262 12.972 16.915 1.00 17.47 C ATOM 681 O SER A 805 -1.492 12.429 16.109 1.00 16.21 O ATOM 682 CB SER A 805 -4.177 11.502 16.393 1.00 15.25 C ATOM 683 OG SER A 805 -4.705 12.560 15.596 1.00 20.22 O ATOM 684 HG SER A 805 -5.280 13.139 16.157 1.00 0.00 H ATOM 685 H SER A 805 -5.061 13.262 18.174 1.00 0.00 H ATOM 686 N TRP A 806 -2.259 14.288 17.185 1.00 14.21 N ATOM 687 CA TRP A 806 -1.363 15.255 16.518 1.00 15.05 C ATOM 688 C TRP A 806 0.115 14.787 16.470 1.00 16.97 C ATOM 689 O TRP A 806 0.697 14.786 15.381 1.00 16.21 O ATOM 690 CB TRP A 806 -1.516 16.663 17.090 1.00 14.54 C ATOM 691 CG TRP A 806 -0.846 16.878 18.412 1.00 16.43 C ATOM 692 CD1 TRP A 806 -1.277 16.451 19.629 1.00 19.08 C ATOM 693 CD2 TRP A 806 0.413 17.520 18.630 1.00 17.10 C ATOM 694 NE1 TRP A 806 -0.374 16.802 20.597 1.00 19.90 N ATOM 695 CE2 TRP A 806 0.650 17.510 20.019 1.00 21.67 C ATOM 696 CE3 TRP A 806 1.333 18.181 17.788 1.00 18.80 C ATOM 697 CZ2 TRP A 806 1.807 18.060 20.583 1.00 21.88 C ATOM 698 CZ3 TRP A 806 2.447 18.774 18.355 1.00 19.96 C ATOM 699 CH2 TRP A 806 2.688 18.695 19.731 1.00 20.73 C ATOM 700 HE1 TRP A 806 -0.452 16.569 21.608 1.00 0.00 H ATOM 701 H TRP A 806 -2.923 14.645 17.902 1.00 0.00 H ATOM 702 N MET A 807 0.686 14.330 17.608 1.00 14.59 N ATOM 703 CA MET A 807 2.091 13.891 17.651 1.00 14.10 C ATOM 704 C MET A 807 2.301 12.657 16.785 1.00 17.99 C ATOM 705 O MET A 807 3.334 12.548 16.114 1.00 18.29 O ATOM 706 CB MET A 807 2.551 13.645 19.103 1.00 15.97 C ATOM 707 CG MET A 807 4.057 13.310 19.229 1.00 17.91 C ATOM 708 SD MET A 807 5.142 14.718 18.805 1.00 20.95 S ATOM 709 CE MET A 807 5.174 15.605 20.435 1.00 17.82 C ATOM 710 H MET A 807 0.117 14.287 18.477 1.00 0.00 H ATOM 711 N SER A 808 1.326 11.718 16.794 1.00 13.61 N ATOM 712 CA SER A 808 1.402 10.500 15.986 1.00 12.97 C ATOM 713 C SER A 808 1.475 10.843 14.515 1.00 16.10 C ATOM 714 O SER A 808 2.294 10.277 13.792 1.00 15.02 O ATOM 715 CB SER A 808 0.177 9.613 16.219 1.00 15.58 C ATOM 716 OG SER A 808 0.141 9.152 17.553 1.00 16.51 O ATOM 717 HG SER A 808 -0.658 8.581 17.682 1.00 0.00 H ATOM 718 H SER A 808 0.492 11.868 17.397 1.00 0.00 H ATOM 719 N LEU A 809 0.604 11.754 14.070 1.00 13.83 N ATOM 720 CA LEU A 809 0.521 12.143 12.660 1.00 14.63 C ATOM 721 C LEU A 809 1.781 12.853 12.221 1.00 16.85 C ATOM 722 O LEU A 809 2.291 12.568 11.136 1.00 17.13 O ATOM 723 CB LEU A 809 -0.701 13.049 12.403 1.00 15.18 C ATOM 724 CG LEU A 809 -2.105 12.423 12.634 1.00 20.48 C ATOM 725 CD1 LEU A 809 -3.192 13.457 12.287 1.00 20.35 C ATOM 726 CD2 LEU A 809 -2.324 11.207 11.762 1.00 23.43 C ATOM 727 H LEU A 809 -0.040 12.204 14.751 1.00 0.00 H ATOM 728 N LEU A 810 2.265 13.787 13.049 1.00 13.65 N ATOM 729 CA LEU A 810 3.489 14.513 12.710 1.00 14.77 C ATOM 730 C LEU A 810 4.716 13.562 12.645 1.00 16.76 C ATOM 731 O LEU A 810 5.500 13.668 11.694 1.00 14.61 O ATOM 732 CB LEU A 810 3.707 15.689 13.662 1.00 14.80 C ATOM 733 CG LEU A 810 2.632 16.831 13.586 1.00 18.50 C ATOM 734 CD1 LEU A 810 3.064 18.024 14.358 1.00 20.16 C ATOM 735 CD2 LEU A 810 2.289 17.223 12.148 1.00 20.94 C ATOM 736 H LEU A 810 1.768 13.998 13.938 1.00 0.00 H ATOM 737 N SER A 811 4.856 12.639 13.635 1.00 14.06 N ATOM 738 CA SER A 811 5.977 11.682 13.687 1.00 13.82 C ATOM 739 C SER A 811 5.939 10.661 12.541 1.00 18.59 C ATOM 740 O SER A 811 6.986 10.332 11.991 1.00 18.11 O ATOM 741 CB SER A 811 6.088 11.005 15.055 1.00 17.17 C ATOM 742 OG SER A 811 4.885 10.381 15.468 1.00 20.68 O ATOM 743 HG SER A 811 4.166 11.059 15.527 1.00 0.00 H ATOM 744 H SER A 811 4.140 12.607 14.389 1.00 0.00 H ATOM 745 N PHE A 812 4.741 10.173 12.175 1.00 16.16 N ATOM 746 CA PHE A 812 4.575 9.247 11.058 1.00 16.21 C ATOM 747 C PHE A 812 4.939 9.929 9.743 1.00 16.76 C ATOM 748 O PHE A 812 5.656 9.328 8.942 1.00 16.54 O ATOM 749 CB PHE A 812 3.140 8.709 10.999 1.00 17.06 C ATOM 750 CG PHE A 812 3.028 7.404 10.230 1.00 18.26 C ATOM 751 CD1 PHE A 812 3.640 6.244 10.700 1.00 21.28 C ATOM 752 CD2 PHE A 812 2.235 7.317 9.097 1.00 20.55 C ATOM 753 CE1 PHE A 812 3.483 5.021 10.027 1.00 22.70 C ATOM 754 CE2 PHE A 812 2.070 6.094 8.425 1.00 24.09 C ATOM 755 CZ PHE A 812 2.727 4.964 8.875 1.00 22.63 C ATOM 756 H PHE A 812 3.898 10.467 12.709 1.00 0.00 H ATOM 757 N ALA A 813 4.515 11.197 9.537 1.00 15.67 N ATOM 758 CA ALA A 813 4.845 11.940 8.296 1.00 14.65 C ATOM 759 C ALA A 813 6.355 12.235 8.218 1.00 16.78 C ATOM 760 O ALA A 813 6.954 12.187 7.140 1.00 16.59 O ATOM 761 CB ALA A 813 4.027 13.246 8.197 1.00 14.82 C ATOM 762 H ALA A 813 3.942 11.664 10.269 1.00 0.00 H ATOM 763 N LEU A 814 6.966 12.523 9.359 1.00 14.29 N ATOM 764 CA LEU A 814 8.410 12.767 9.418 1.00 15.06 C ATOM 765 C LEU A 814 9.141 11.469 8.996 1.00 18.00 C ATOM 766 O LEU A 814 10.085 11.534 8.213 1.00 16.61 O ATOM 767 CB LEU A 814 8.806 13.166 10.846 1.00 14.52 C ATOM 768 CG LEU A 814 10.323 13.131 11.159 1.00 18.93 C ATOM 769 CD1 LEU A 814 11.089 14.171 10.345 1.00 16.63 C ATOM 770 CD2 LEU A 814 10.565 13.283 12.661 1.00 20.87 C ATOM 771 H LEU A 814 6.407 12.577 10.234 1.00 0.00 H ATOM 772 N SER A 815 8.673 10.304 9.484 1.00 15.90 N ATOM 773 CA SER A 815 9.279 9.007 9.115 1.00 16.45 C ATOM 774 C SER A 815 9.163 8.786 7.611 1.00 19.75 C ATOM 775 O SER A 815 10.130 8.342 6.971 1.00 19.19 O ATOM 776 CB SER A 815 8.581 7.872 9.849 1.00 20.70 C ATOM 777 OG SER A 815 8.903 8.028 11.219 1.00 32.33 O ATOM 778 HG SER A 815 8.579 8.909 11.535 1.00 0.00 H ATOM 779 H SER A 815 7.864 10.317 10.138 1.00 0.00 H ATOM 780 N TRP A 816 8.000 9.157 7.032 1.00 16.99 N ATOM 781 CA TRP A 816 7.774 9.010 5.595 1.00 17.72 C ATOM 782 C TRP A 816 8.721 9.927 4.799 1.00 19.41 C ATOM 783 O TRP A 816 9.337 9.470 3.823 1.00 17.81 O ATOM 784 CB TRP A 816 6.307 9.280 5.215 1.00 17.35 C ATOM 785 CG TRP A 816 6.078 9.191 3.734 1.00 18.32 C ATOM 786 CD1 TRP A 816 6.049 10.228 2.850 1.00 21.82 C ATOM 787 CD2 TRP A 816 6.091 7.992 2.947 1.00 18.51 C ATOM 788 NE1 TRP A 816 5.981 9.750 1.558 1.00 21.74 N ATOM 789 CE2 TRP A 816 5.963 8.378 1.592 1.00 22.25 C ATOM 790 CE3 TRP A 816 6.123 6.618 3.259 1.00 19.21 C ATOM 791 CZ2 TRP A 816 5.895 7.442 0.544 1.00 21.34 C ATOM 792 CZ3 TRP A 816 6.032 5.686 2.217 1.00 20.22 C ATOM 793 CH2 TRP A 816 5.960 6.101 0.880 1.00 20.66 C ATOM 794 HE1 TRP A 816 5.949 10.334 0.698 1.00 0.00 H ATOM 795 H TRP A 816 7.245 9.558 7.624 1.00 0.00 H ATOM 796 N ARG A 817 8.786 11.214 5.164 1.00 15.81 N ATOM 797 CA ARG A 817 9.685 12.141 4.470 1.00 16.24 C ATOM 798 C ARG A 817 11.158 11.673 4.566 1.00 20.30 C ATOM 799 O ARG A 817 11.879 11.770 3.587 1.00 20.25 O ATOM 800 CB ARG A 817 9.573 13.549 5.031 1.00 15.68 C ATOM 801 CG ARG A 817 8.233 14.247 4.742 1.00 15.34 C ATOM 802 CD ARG A 817 8.330 15.717 5.123 1.00 18.05 C ATOM 803 NE ARG A 817 8.646 15.957 6.543 1.00 18.48 N ATOM 804 CZ ARG A 817 7.763 15.969 7.540 1.00 21.54 C ATOM 805 NH1 ARG A 817 6.497 15.608 7.326 1.00 13.91 N ATOM 806 NH2 ARG A 817 8.151 16.273 8.770 1.00 19.20 N ATOM 807 HE ARG A 817 9.642 16.132 6.787 1.00 0.00 H ATOM 808 HH12 ARG A 817 5.813 15.620 8.110 1.00 0.00 H ATOM 809 HH11 ARG A 817 6.194 15.315 6.376 1.00 0.00 H ATOM 810 HH22 ARG A 817 7.459 16.281 9.546 1.00 0.00 H ATOM 811 HH21 ARG A 817 9.147 16.503 8.959 1.00 0.00 H ATOM 812 H ARG A 817 8.194 11.559 5.946 1.00 0.00 H ATOM 813 N SER A 818 11.574 11.149 5.731 1.00 16.21 N ATOM 814 CA SER A 818 12.921 10.640 5.993 1.00 16.01 C ATOM 815 C SER A 818 13.249 9.462 5.074 1.00 18.71 C ATOM 816 O SER A 818 14.286 9.437 4.421 1.00 17.25 O ATOM 817 CB SER A 818 13.061 10.248 7.465 1.00 16.96 C ATOM 818 OG SER A 818 12.898 11.435 8.234 1.00 17.39 O ATOM 819 HG SER A 818 12.003 11.820 8.059 1.00 0.00 H ATOM 820 H SER A 818 10.884 11.101 6.508 1.00 0.00 H ATOM 821 N TYR A 819 12.292 8.584 4.927 1.00 17.35 N ATOM 822 CA TYR A 819 12.371 7.403 4.083 1.00 16.50 C ATOM 823 C TYR A 819 12.397 7.819 2.627 1.00 21.60 C ATOM 824 O TYR A 819 13.322 7.437 1.912 1.00 20.06 O ATOM 825 CB TYR A 819 11.165 6.502 4.383 1.00 17.16 C ATOM 826 CG TYR A 819 10.878 5.413 3.373 1.00 20.61 C ATOM 827 CD1 TYR A 819 11.828 4.437 3.082 1.00 23.55 C ATOM 828 CD2 TYR A 819 9.613 5.282 2.805 1.00 21.93 C ATOM 829 CE1 TYR A 819 11.541 3.390 2.202 1.00 26.59 C ATOM 830 CE2 TYR A 819 9.310 4.232 1.941 1.00 24.16 C ATOM 831 CZ TYR A 819 10.273 3.277 1.659 1.00 31.27 C ATOM 832 OH TYR A 819 9.987 2.254 0.795 1.00 37.71 O ATOM 833 HH TYR A 819 9.224 1.730 1.147 1.00 0.00 H ATOM 834 H TYR A 819 11.409 8.742 5.453 1.00 0.00 H ATOM 835 N LYS A 820 11.398 8.586 2.186 1.00 17.23 N ATOM 836 CA LYS A 820 11.303 9.008 0.786 1.00 18.78 C ATOM 837 C LYS A 820 12.486 9.862 0.303 1.00 22.62 C ATOM 838 O LYS A 820 12.976 9.658 -0.811 1.00 23.40 O ATOM 839 CB LYS A 820 10.004 9.792 0.550 1.00 21.87 C ATOM 840 CG LYS A 820 9.660 9.924 -0.938 1.00 33.75 C ATOM 841 CD LYS A 820 8.578 10.959 -1.186 1.00 48.97 C ATOM 842 CE LYS A 820 8.323 11.158 -2.660 1.00 62.90 C ATOM 843 NZ LYS A 820 7.654 12.460 -2.930 1.00 77.43 N ATOM 844 HZ1 LYS A 820 6.742 12.489 -2.432 1.00 0.00 H ATOM 845 HZ2 LYS A 820 8.259 13.236 -2.593 1.00 0.00 H ATOM 846 HZ3 LYS A 820 7.495 12.561 -3.953 1.00 0.00 H ATOM 847 H LYS A 820 10.665 8.894 2.856 1.00 0.00 H ATOM 848 N HIS A 821 12.890 10.843 1.097 1.00 19.38 N ATOM 849 CA HIS A 821 13.914 11.797 0.655 1.00 22.62 C ATOM 850 C HIS A 821 15.349 11.445 1.013 1.00 26.55 C ATOM 851 O HIS A 821 16.258 11.997 0.389 1.00 25.09 O ATOM 852 CB HIS A 821 13.582 13.211 1.149 1.00 24.84 C ATOM 853 CG HIS A 821 12.234 13.667 0.690 1.00 30.26 C ATOM 854 ND1 HIS A 821 11.948 13.831 -0.662 1.00 33.23 N ATOM 855 CD2 HIS A 821 11.107 13.892 1.405 1.00 32.08 C ATOM 856 CE1 HIS A 821 10.667 14.160 -0.715 1.00 32.78 C ATOM 857 NE2 HIS A 821 10.126 14.222 0.506 1.00 32.60 N ATOM 858 H HIS A 821 12.476 10.938 2.046 1.00 0.00 H ATOM 859 N THR A 822 15.581 10.580 2.021 1.00 22.20 N ATOM 860 CA THR A 822 16.973 10.303 2.402 1.00 22.57 C ATOM 861 C THR A 822 17.266 8.812 2.512 1.00 26.46 C ATOM 862 O THR A 822 18.349 8.456 2.968 1.00 27.11 O ATOM 863 CB THR A 822 17.345 11.037 3.737 1.00 25.73 C ATOM 864 OG1 THR A 822 16.775 10.350 4.856 1.00 22.03 O ATOM 865 CG2 THR A 822 16.954 12.531 3.766 1.00 26.29 C ATOM 866 HG1 THR A 822 15.790 10.329 4.762 1.00 0.00 H ATOM 867 H THR A 822 14.792 10.119 2.518 1.00 0.00 H ATOM 868 N ASN A 823 16.303 7.938 2.133 1.00 23.52 N ATOM 869 CA ASN A 823 16.346 6.488 2.337 1.00 23.41 C ATOM 870 C ASN A 823 16.559 6.184 3.840 1.00 26.48 C ATOM 871 O ASN A 823 17.293 5.258 4.205 1.00 25.52 O ATOM 872 CB ASN A 823 17.365 5.754 1.437 1.00 26.73 C ATOM 873 CG ASN A 823 17.113 4.269 1.387 1.00 45.72 C ATOM 874 OD1 ASN A 823 18.019 3.442 1.558 1.00 42.86 O ATOM 875 ND2 ASN A 823 15.855 3.898 1.236 1.00 34.62 N ATOM 876 HD22 ASN A 823 15.115 4.615 1.094 1.00 0.00 H ATOM 877 HD21 ASN A 823 15.604 2.889 1.259 1.00 0.00 H ATOM 878 H ASN A 823 15.464 8.328 1.658 1.00 0.00 H ATOM 879 N SER A 824 15.949 7.029 4.702 1.00 21.83 N ATOM 880 CA SER A 824 15.986 6.953 6.170 1.00 22.45 C ATOM 881 C SER A 824 17.379 7.088 6.782 1.00 27.64 C ATOM 882 O SER A 824 17.619 6.597 7.890 1.00 28.18 O ATOM 883 CB SER A 824 15.295 5.697 6.683 1.00 24.99 C ATOM 884 OG SER A 824 13.971 5.615 6.175 1.00 25.36 O ATOM 885 HG SER A 824 13.537 4.794 6.518 1.00 0.00 H ATOM 886 H SER A 824 15.400 7.808 4.286 1.00 0.00 H ATOM 887 N GLN A 825 18.269 7.806 6.108 1.00 23.28 N ATOM 888 CA GLN A 825 19.597 8.082 6.651 1.00 23.92 C ATOM 889 C GLN A 825 19.513 9.235 7.661 1.00 27.25 C ATOM 890 O GLN A 825 20.266 9.270 8.645 1.00 26.42 O ATOM 891 CB GLN A 825 20.535 8.491 5.520 1.00 26.49 C ATOM 892 CG GLN A 825 21.004 7.311 4.671 1.00 47.38 C ATOM 893 CD GLN A 825 21.854 7.769 3.512 1.00 75.07 C ATOM 894 OE1 GLN A 825 22.744 8.627 3.648 1.00 68.37 O ATOM 895 NE2 GLN A 825 21.606 7.187 2.344 1.00 73.21 N ATOM 896 HE22 GLN A 825 20.853 6.473 2.268 1.00 0.00 H ATOM 897 HE21 GLN A 825 22.164 7.445 1.505 1.00 0.00 H ATOM 898 H GLN A 825 18.015 8.181 5.172 1.00 0.00 H ATOM 899 N PHE A 826 18.611 10.198 7.392 1.00 21.83 N ATOM 900 CA PHE A 826 18.427 11.390 8.230 1.00 21.70 C ATOM 901 C PHE A 826 16.972 11.624 8.600 1.00 22.20 C ATOM 902 O PHE A 826 16.093 10.983 8.024 1.00 22.44 O ATOM 903 CB PHE A 826 18.947 12.629 7.498 1.00 23.85 C ATOM 904 CG PHE A 826 20.346 12.529 6.941 1.00 27.23 C ATOM 905 CD1 PHE A 826 21.455 12.545 7.788 1.00 31.16 C ATOM 906 CD2 PHE A 826 20.560 12.435 5.568 1.00 30.74 C ATOM 907 CE1 PHE A 826 22.752 12.462 7.270 1.00 33.01 C ATOM 908 CE2 PHE A 826 21.860 12.370 5.049 1.00 34.53 C ATOM 909 CZ PHE A 826 22.943 12.369 5.905 1.00 32.82 C ATOM 910 H PHE A 826 18.014 10.092 6.547 1.00 0.00 H ATOM 911 N LEU A 827 16.719 12.565 9.533 1.00 19.03 N ATOM 912 CA LEU A 827 15.344 12.953 9.894 1.00 18.88 C ATOM 913 C LEU A 827 15.019 14.197 9.058 1.00 21.27 C ATOM 914 O LEU A 827 15.583 15.283 9.286 1.00 20.42 O ATOM 915 CB LEU A 827 15.148 13.191 11.403 1.00 19.18 C ATOM 916 CG LEU A 827 15.248 11.940 12.303 1.00 23.25 C ATOM 917 CD1 LEU A 827 14.967 12.312 13.770 1.00 22.58 C ATOM 918 CD2 LEU A 827 14.234 10.856 11.879 1.00 24.67 C ATOM 919 H LEU A 827 17.517 13.030 10.011 1.00 0.00 H ATOM 920 N TYR A 828 14.177 13.997 8.021 1.00 17.02 N ATOM 921 CA TYR A 828 13.845 15.062 7.069 1.00 16.45 C ATOM 922 C TYR A 828 12.653 15.878 7.609 1.00 19.09 C ATOM 923 O TYR A 828 11.504 15.644 7.224 1.00 18.06 O ATOM 924 CB TYR A 828 13.549 14.439 5.688 1.00 14.84 C ATOM 925 CG TYR A 828 13.517 15.410 4.522 1.00 17.44 C ATOM 926 CD1 TYR A 828 12.353 16.124 4.211 1.00 19.24 C ATOM 927 CD2 TYR A 828 14.610 15.532 3.656 1.00 17.34 C ATOM 928 CE1 TYR A 828 12.311 16.996 3.122 1.00 20.49 C ATOM 929 CE2 TYR A 828 14.575 16.400 2.561 1.00 18.09 C ATOM 930 CZ TYR A 828 13.417 17.114 2.288 1.00 21.03 C ATOM 931 OH TYR A 828 13.329 17.899 1.161 1.00 21.67 O ATOM 932 HH TYR A 828 12.438 18.330 1.129 1.00 0.00 H ATOM 933 H TYR A 828 13.750 13.057 7.893 1.00 0.00 H ATOM 934 N PHE A 829 12.919 16.786 8.556 1.00 17.73 N ATOM 935 CA PHE A 829 11.823 17.601 9.111 1.00 15.72 C ATOM 936 C PHE A 829 11.203 18.469 8.009 1.00 19.17 C ATOM 937 O PHE A 829 9.983 18.563 7.907 1.00 17.55 O ATOM 938 CB PHE A 829 12.325 18.459 10.273 1.00 16.32 C ATOM 939 CG PHE A 829 12.518 17.641 11.524 1.00 17.61 C ATOM 940 CD1 PHE A 829 11.431 17.318 12.337 1.00 19.25 C ATOM 941 CD2 PHE A 829 13.785 17.200 11.899 1.00 20.97 C ATOM 942 CE1 PHE A 829 11.606 16.556 13.496 1.00 20.90 C ATOM 943 CE2 PHE A 829 13.955 16.415 13.054 1.00 22.97 C ATOM 944 CZ PHE A 829 12.866 16.105 13.842 1.00 20.49 C ATOM 945 H PHE A 829 13.893 16.916 8.898 1.00 0.00 H ATOM 946 N ALA A 830 12.051 19.061 7.169 1.00 16.22 N ATOM 947 CA ALA A 830 11.636 19.933 6.074 1.00 16.29 C ATOM 948 C ALA A 830 12.835 20.047 5.113 1.00 19.08 C ATOM 949 O ALA A 830 13.951 19.710 5.511 1.00 17.40 O ATOM 950 CB ALA A 830 11.269 21.325 6.625 1.00 17.15 C ATOM 951 H ALA A 830 13.069 18.892 7.301 1.00 0.00 H ATOM 952 N PRO A 831 12.652 20.528 3.860 1.00 17.96 N ATOM 953 CA PRO A 831 13.818 20.671 2.962 1.00 17.47 C ATOM 954 C PRO A 831 14.965 21.518 3.538 1.00 21.26 C ATOM 955 O PRO A 831 16.129 21.210 3.291 1.00 19.79 O ATOM 956 CB PRO A 831 13.222 21.335 1.713 1.00 18.82 C ATOM 957 CG PRO A 831 11.767 21.020 1.740 1.00 22.46 C ATOM 958 CD PRO A 831 11.401 20.998 3.204 1.00 18.50 C ATOM 959 N ASP A 832 14.629 22.531 4.363 1.00 17.49 N ATOM 960 CA ASP A 832 15.590 23.451 4.998 1.00 17.25 C ATOM 961 C ASP A 832 15.984 22.993 6.411 1.00 21.65 C ATOM 962 O ASP A 832 16.678 23.735 7.101 1.00 22.32 O ATOM 963 CB ASP A 832 15.048 24.913 5.027 1.00 17.83 C ATOM 964 CG ASP A 832 13.701 25.100 5.734 1.00 19.80 C ATOM 965 OD1 ASP A 832 12.924 24.122 5.813 1.00 19.80 O ATOM 966 OD2 ASP A 832 13.445 26.206 6.234 1.00 21.64 O ATOM 967 H ASP A 832 13.619 22.673 4.566 1.00 0.00 H ATOM 968 N LEU A 833 15.521 21.799 6.863 1.00 18.11 N ATOM 969 CA LEU A 833 15.859 21.313 8.208 1.00 18.98 C ATOM 970 C LEU A 833 15.929 19.799 8.263 1.00 19.71 C ATOM 971 O LEU A 833 14.914 19.105 8.408 1.00 18.06 O ATOM 972 CB LEU A 833 14.918 21.902 9.282 1.00 19.46 C ATOM 973 CG LEU A 833 15.265 21.577 10.760 1.00 25.17 C ATOM 974 CD1 LEU A 833 16.633 22.162 11.168 1.00 25.84 C ATOM 975 CD2 LEU A 833 14.180 22.091 11.696 1.00 27.23 C ATOM 976 H LEU A 833 14.917 21.219 6.247 1.00 0.00 H ATOM 977 N VAL A 834 17.131 19.276 8.023 1.00 17.33 N ATOM 978 CA VAL A 834 17.391 17.831 7.950 1.00 17.98 C ATOM 979 C VAL A 834 18.345 17.503 9.092 1.00 24.76 C ATOM 980 O VAL A 834 19.407 18.120 9.198 1.00 25.05 O ATOM 981 CB VAL A 834 17.939 17.434 6.547 1.00 21.45 C ATOM 982 CG1 VAL A 834 18.253 15.946 6.475 1.00 20.99 C ATOM 983 CG2 VAL A 834 16.947 17.820 5.442 1.00 20.21 C ATOM 984 H VAL A 834 17.930 19.926 7.879 1.00 0.00 H ATOM 985 N PHE A 835 17.937 16.611 9.986 1.00 22.91 N ATOM 986 CA PHE A 835 18.760 16.324 11.161 1.00 22.31 C ATOM 987 C PHE A 835 19.744 15.217 10.901 1.00 26.31 C ATOM 988 O PHE A 835 19.368 14.126 10.494 1.00 24.94 O ATOM 989 CB PHE A 835 17.890 15.967 12.383 1.00 22.83 C ATOM 990 CG PHE A 835 17.464 17.081 13.309 1.00 22.95 C ATOM 991 CD1 PHE A 835 17.130 18.336 12.812 1.00 23.84 C ATOM 992 CD2 PHE A 835 17.339 16.859 14.677 1.00 23.28 C ATOM 993 CE1 PHE A 835 16.715 19.352 13.666 1.00 23.57 C ATOM 994 CE2 PHE A 835 16.933 17.887 15.535 1.00 24.80 C ATOM 995 CZ PHE A 835 16.625 19.128 15.024 1.00 22.02 C ATOM 996 H PHE A 835 17.032 16.116 9.851 1.00 0.00 H ATOM 997 N ASN A 836 21.008 15.521 11.131 1.00 25.93 N ATOM 998 CA ASN A 836 22.106 14.540 11.110 1.00 25.93 C ATOM 999 C ASN A 836 22.393 14.299 12.613 1.00 27.90 C ATOM 1000 O ASN A 836 21.712 14.888 13.460 1.00 22.77 O ATOM 1001 CB ASN A 836 23.331 15.118 10.390 1.00 26.78 C ATOM 1002 CG ASN A 836 23.762 16.476 10.887 1.00 35.73 C ATOM 1003 OD1 ASN A 836 23.249 17.023 11.870 1.00 29.02 O ATOM 1004 ND2 ASN A 836 24.692 17.073 10.190 1.00 33.12 N ATOM 1005 HD22 ASN A 836 25.111 16.596 9.366 1.00 0.00 H ATOM 1006 HD21 ASN A 836 25.013 18.025 10.459 1.00 0.00 H ATOM 1007 H ASN A 836 21.242 16.513 11.339 1.00 0.00 H ATOM 1008 N GLU A 837 23.407 13.479 12.937 1.00 26.74 N ATOM 1009 CA GLU A 837 23.810 13.195 14.316 1.00 27.84 C ATOM 1010 C GLU A 837 24.064 14.501 15.084 1.00 27.45 C ATOM 1011 O GLU A 837 23.631 14.605 16.226 1.00 27.84 O ATOM 1012 CB GLU A 837 25.102 12.340 14.327 1.00 29.95 C ATOM 1013 CG GLU A 837 24.963 10.945 13.736 1.00 40.66 C ATOM 1014 CD GLU A 837 24.427 9.855 14.643 1.00 53.59 C ATOM 1015 OE1 GLU A 837 24.663 9.922 15.870 1.00 41.29 O ATOM 1016 OE2 GLU A 837 23.827 8.891 14.116 1.00 54.26 O ATOM 1017 H GLU A 837 23.934 13.021 12.166 1.00 0.00 H ATOM 1018 N GLU A 838 24.727 15.493 14.459 1.00 23.52 N ATOM 1019 CA GLU A 838 25.046 16.773 15.096 1.00 23.83 C ATOM 1020 C GLU A 838 23.791 17.482 15.625 1.00 26.54 C ATOM 1021 O GLU A 838 23.753 17.856 16.792 1.00 23.77 O ATOM 1022 CB GLU A 838 25.871 17.676 14.150 1.00 25.42 C ATOM 1023 CG GLU A 838 26.112 19.109 14.623 1.00 32.24 C ATOM 1024 CD GLU A 838 27.071 19.379 15.772 1.00 59.87 C ATOM 1025 OE1 GLU A 838 27.214 20.569 16.132 1.00 61.70 O ATOM 1026 OE2 GLU A 838 27.674 18.426 16.318 1.00 54.90 O ATOM 1027 H GLU A 838 25.028 15.343 13.475 1.00 0.00 H ATOM 1028 N LYS A 839 22.761 17.630 14.772 1.00 23.22 N ATOM 1029 CA LYS A 839 21.501 18.269 15.150 1.00 23.24 C ATOM 1030 C LYS A 839 20.705 17.494 16.210 1.00 24.93 C ATOM 1031 O LYS A 839 20.116 18.130 17.083 1.00 24.50 O ATOM 1032 CB LYS A 839 20.641 18.586 13.926 1.00 25.32 C ATOM 1033 CG LYS A 839 21.290 19.683 13.093 1.00 31.16 C ATOM 1034 CD LYS A 839 20.324 20.368 12.170 1.00 41.32 C ATOM 1035 CE LYS A 839 20.829 21.742 11.804 1.00 50.39 C ATOM 1036 NZ LYS A 839 22.091 21.696 11.016 1.00 55.22 N ATOM 1037 HZ1 LYS A 839 22.829 21.222 11.574 1.00 0.00 H ATOM 1038 HZ2 LYS A 839 21.929 21.169 10.134 1.00 0.00 H ATOM 1039 HZ3 LYS A 839 22.394 22.665 10.791 1.00 0.00 H ATOM 1040 H LYS A 839 22.866 17.274 13.800 1.00 0.00 H ATOM 1041 N MET A 840 20.721 16.159 16.162 1.00 23.26 N ATOM 1042 CA MET A 840 20.078 15.304 17.162 1.00 24.02 C ATOM 1043 C MET A 840 20.685 15.575 18.554 1.00 27.97 C ATOM 1044 O MET A 840 19.936 15.711 19.531 1.00 27.29 O ATOM 1045 CB MET A 840 20.243 13.831 16.795 1.00 26.06 C ATOM 1046 CG MET A 840 19.379 13.403 15.636 1.00 29.93 C ATOM 1047 SD MET A 840 19.792 11.764 14.991 1.00 33.54 S ATOM 1048 CE MET A 840 19.484 10.750 16.362 1.00 32.10 C ATOM 1049 H MET A 840 21.217 15.702 15.371 1.00 0.00 H ATOM 1050 N HIS A 841 22.031 15.705 18.634 1.00 24.00 N ATOM 1051 CA HIS A 841 22.698 16.037 19.899 1.00 23.87 C ATOM 1052 C HIS A 841 22.402 17.470 20.324 1.00 29.82 C ATOM 1053 O HIS A 841 22.098 17.683 21.494 1.00 30.00 O ATOM 1054 CB HIS A 841 24.220 15.855 19.817 1.00 24.28 C ATOM 1055 CG HIS A 841 24.638 14.431 19.771 1.00 26.64 C ATOM 1056 ND1 HIS A 841 24.463 13.602 20.855 1.00 27.56 N ATOM 1057 CD2 HIS A 841 25.227 13.738 18.772 1.00 27.28 C ATOM 1058 CE1 HIS A 841 24.925 12.426 20.477 1.00 26.96 C ATOM 1059 NE2 HIS A 841 25.369 12.457 19.220 1.00 27.27 N ATOM 1060 H HIS A 841 22.606 15.566 17.778 1.00 0.00 H ATOM 1061 N GLN A 842 22.515 18.442 19.392 1.00 28.00 N ATOM 1062 CA GLN A 842 22.302 19.874 19.665 1.00 29.43 C ATOM 1063 C GLN A 842 20.889 20.183 20.137 1.00 32.34 C ATOM 1064 O GLN A 842 20.721 21.072 20.974 1.00 31.82 O ATOM 1065 CB GLN A 842 22.633 20.756 18.453 1.00 30.91 C ATOM 1066 CG GLN A 842 24.089 20.769 17.991 1.00 39.31 C ATOM 1067 CD GLN A 842 24.250 21.605 16.737 1.00 54.66 C ATOM 1068 OE1 GLN A 842 23.511 21.458 15.745 1.00 40.59 O ATOM 1069 NE2 GLN A 842 25.215 22.522 16.755 1.00 45.66 N ATOM 1070 HE22 GLN A 842 25.819 22.625 17.595 1.00 0.00 H ATOM 1071 HE21 GLN A 842 25.365 23.135 15.929 1.00 0.00 H ATOM 1072 H GLN A 842 22.768 18.162 18.423 1.00 0.00 H ATOM 1073 N SER A 843 19.878 19.429 19.641 1.00 27.96 N ATOM 1074 CA SER A 843 18.474 19.651 20.016 1.00 27.64 C ATOM 1075 C SER A 843 18.156 19.141 21.421 1.00 32.89 C ATOM 1076 O SER A 843 17.036 19.361 21.890 1.00 32.74 O ATOM 1077 CB SER A 843 17.539 19.002 19.001 1.00 28.45 C ATOM 1078 OG SER A 843 17.626 17.586 19.068 1.00 31.29 O ATOM 1079 HG SER A 843 18.555 17.304 18.873 1.00 0.00 H ATOM 1080 H SER A 843 20.103 18.666 18.971 1.00 0.00 H ATOM 1081 N ALA A 844 19.132 18.441 22.073 1.00 30.88 N ATOM 1082 CA ALA A 844 19.031 17.816 23.406 1.00 31.92 C ATOM 1083 C ALA A 844 17.974 16.704 23.408 1.00 35.51 C ATOM 1084 O ALA A 844 17.460 16.335 24.466 1.00 36.09 O ATOM 1085 CB ALA A 844 18.718 18.861 24.480 1.00 33.05 C ATOM 1086 H ALA A 844 20.041 18.338 21.578 1.00 0.00 H ATOM 1087 N MET A 845 17.694 16.129 22.219 1.00 30.61 N ATOM 1088 CA MET A 845 16.688 15.079 22.032 1.00 30.17 C ATOM 1089 C MET A 845 17.251 13.847 21.323 1.00 31.50 C ATOM 1090 O MET A 845 16.498 13.139 20.653 1.00 27.30 O ATOM 1091 CB MET A 845 15.562 15.616 21.159 1.00 32.67 C ATOM 1092 CG MET A 845 14.807 16.745 21.755 1.00 37.71 C ATOM 1093 SD MET A 845 13.359 17.014 20.734 1.00 43.89 S ATOM 1094 CE MET A 845 14.169 17.460 19.153 1.00 41.40 C ATOM 1095 H MET A 845 18.225 16.451 21.384 1.00 0.00 H ATOM 1096 N TYR A 846 18.554 13.584 21.475 1.00 28.85 N ATOM 1097 CA TYR A 846 19.228 12.485 20.787 1.00 27.66 C ATOM 1098 C TYR A 846 18.498 11.118 20.854 1.00 28.23 C ATOM 1099 O TYR A 846 18.266 10.505 19.814 1.00 26.32 O ATOM 1100 CB TYR A 846 20.689 12.362 21.259 1.00 29.16 C ATOM 1101 CG TYR A 846 21.480 11.395 20.409 1.00 31.52 C ATOM 1102 CD1 TYR A 846 21.944 11.765 19.151 1.00 33.08 C ATOM 1103 CD2 TYR A 846 21.700 10.084 20.830 1.00 33.51 C ATOM 1104 CE1 TYR A 846 22.639 10.867 18.346 1.00 33.85 C ATOM 1105 CE2 TYR A 846 22.388 9.174 20.030 1.00 34.79 C ATOM 1106 CZ TYR A 846 22.866 9.576 18.793 1.00 41.62 C ATOM 1107 OH TYR A 846 23.557 8.699 18.007 1.00 44.23 O ATOM 1108 HH TYR A 846 23.822 9.149 17.166 1.00 0.00 H ATOM 1109 H TYR A 846 19.112 14.189 22.111 1.00 0.00 H ATOM 1110 N GLU A 847 18.155 10.641 22.047 1.00 27.08 N ATOM 1111 CA GLU A 847 17.502 9.334 22.201 1.00 28.52 C ATOM 1112 C GLU A 847 16.088 9.282 21.586 1.00 30.87 C ATOM 1113 O GLU A 847 15.752 8.267 20.989 1.00 30.83 O ATOM 1114 CB GLU A 847 17.512 8.853 23.673 1.00 30.52 C ATOM 1115 CG GLU A 847 18.918 8.632 24.221 1.00 46.18 C ATOM 1116 CD GLU A 847 19.049 8.492 25.729 1.00 80.38 C ATOM 1117 OE1 GLU A 847 18.662 9.437 26.458 1.00 83.49 O ATOM 1118 OE2 GLU A 847 19.603 7.463 26.180 1.00 74.41 O ATOM 1119 H GLU A 847 18.355 11.209 22.895 1.00 0.00 H ATOM 1120 N LEU A 848 15.308 10.381 21.636 1.00 27.99 N ATOM 1121 CA LEU A 848 13.979 10.416 20.999 1.00 27.82 C ATOM 1122 C LEU A 848 14.107 10.398 19.481 1.00 29.38 C ATOM 1123 O LEU A 848 13.339 9.708 18.810 1.00 29.65 O ATOM 1124 CB LEU A 848 13.197 11.665 21.420 1.00 28.50 C ATOM 1125 CG LEU A 848 12.725 11.697 22.856 1.00 34.39 C ATOM 1126 CD1 LEU A 848 12.346 13.115 23.250 1.00 35.14 C ATOM 1127 CD2 LEU A 848 11.578 10.727 23.070 1.00 34.12 C ATOM 1128 H LEU A 848 15.653 11.225 22.136 1.00 0.00 H ATOM 1129 N CYS A 849 15.081 11.161 18.941 1.00 25.66 N ATOM 1130 CA CYS A 849 15.361 11.213 17.497 1.00 26.53 C ATOM 1131 C CYS A 849 15.741 9.793 16.996 1.00 29.07 C ATOM 1132 O CYS A 849 15.304 9.368 15.924 1.00 27.48 O ATOM 1133 CB CYS A 849 16.477 12.212 17.205 1.00 27.35 C ATOM 1134 SG CYS A 849 15.987 13.950 17.260 1.00 31.51 S ATOM 1135 H CYS A 849 15.663 11.742 19.578 1.00 0.00 H ATOM 1136 N GLN A 850 16.544 9.059 17.787 1.00 27.26 N ATOM 1137 CA GLN A 850 16.956 7.684 17.457 1.00 28.27 C ATOM 1138 C GLN A 850 15.748 6.751 17.404 1.00 30.82 C ATOM 1139 O GLN A 850 15.637 5.965 16.465 1.00 29.73 O ATOM 1140 CB GLN A 850 18.030 7.160 18.434 1.00 30.50 C ATOM 1141 CG GLN A 850 19.458 7.532 18.044 1.00 52.33 C ATOM 1142 CD GLN A 850 19.960 6.808 16.805 1.00 77.91 C ATOM 1143 OE1 GLN A 850 19.754 5.594 16.622 1.00 71.90 O ATOM 1144 NE2 GLN A 850 20.649 7.540 15.934 1.00 70.19 N ATOM 1145 HE22 GLN A 850 20.805 8.552 16.114 1.00 0.00 H ATOM 1146 HE21 GLN A 850 21.032 7.100 15.073 1.00 0.00 H ATOM 1147 H GLN A 850 16.890 9.482 18.672 1.00 0.00 H ATOM 1148 N GLY A 851 14.825 6.903 18.358 1.00 28.72 N ATOM 1149 CA GLY A 851 13.576 6.144 18.406 1.00 28.80 C ATOM 1150 C GLY A 851 12.749 6.354 17.150 1.00 33.65 C ATOM 1151 O GLY A 851 12.211 5.398 16.576 1.00 32.63 O ATOM 1152 H GLY A 851 15.005 7.600 19.108 1.00 0.00 H ATOM 1153 N MET A 852 12.710 7.614 16.673 1.00 32.11 N ATOM 1154 CA MET A 852 12.026 7.997 15.445 1.00 33.00 C ATOM 1155 C MET A 852 12.728 7.441 14.218 1.00 33.30 C ATOM 1156 O MET A 852 12.067 7.009 13.266 1.00 31.59 O ATOM 1157 CB MET A 852 11.997 9.525 15.322 1.00 37.16 C ATOM 1158 CG MET A 852 11.276 9.988 14.104 1.00 43.11 C ATOM 1159 SD MET A 852 9.538 10.137 14.506 1.00 49.74 S ATOM 1160 CE MET A 852 8.930 8.511 14.133 1.00 45.62 C ATOM 1161 H MET A 852 13.197 8.357 17.214 1.00 0.00 H ATOM 1162 N HIS A 853 14.070 7.535 14.207 1.00 27.64 N ATOM 1163 CA HIS A 853 14.897 7.047 13.105 1.00 29.25 C ATOM 1164 C HIS A 853 14.634 5.551 12.914 1.00 31.94 C ATOM 1165 O HIS A 853 14.586 5.100 11.775 1.00 30.42 O ATOM 1166 CB HIS A 853 16.393 7.347 13.395 1.00 31.34 C ATOM 1167 CG HIS A 853 17.360 6.837 12.367 1.00 35.18 C ATOM 1168 ND1 HIS A 853 18.400 5.991 12.716 1.00 37.25 N ATOM 1169 CD2 HIS A 853 17.412 7.065 11.033 1.00 36.36 C ATOM 1170 CE1 HIS A 853 19.060 5.753 11.593 1.00 36.26 C ATOM 1171 NE2 HIS A 853 18.489 6.360 10.553 1.00 36.63 N ATOM 1172 H HIS A 853 14.542 7.976 15.022 1.00 0.00 H ATOM 1173 N GLN A 854 14.371 4.807 14.024 1.00 27.70 N ATOM 1174 CA GLN A 854 14.063 3.373 13.984 1.00 27.93 C ATOM 1175 C GLN A 854 12.760 3.072 13.227 1.00 30.38 C ATOM 1176 O GLN A 854 12.698 2.067 12.521 1.00 29.23 O ATOM 1177 CB GLN A 854 14.055 2.745 15.391 1.00 30.01 C ATOM 1178 CG GLN A 854 15.451 2.594 16.007 1.00 49.71 C ATOM 1179 CD GLN A 854 16.398 1.750 15.171 1.00 65.66 C ATOM 1180 OE1 GLN A 854 16.094 0.615 14.789 1.00 59.41 O ATOM 1181 NE2 GLN A 854 17.570 2.294 14.864 1.00 55.57 N ATOM 1182 HE22 GLN A 854 17.802 3.251 15.198 1.00 0.00 H ATOM 1183 HE21 GLN A 854 18.255 1.763 14.290 1.00 0.00 H ATOM 1184 H GLN A 854 14.389 5.281 14.950 1.00 0.00 H ATOM 1185 N ILE A 855 11.742 3.956 13.328 1.00 23.99 N ATOM 1186 CA ILE A 855 10.497 3.803 12.563 1.00 23.13 C ATOM 1187 C ILE A 855 10.799 3.977 11.056 1.00 24.11 C ATOM 1188 O ILE A 855 10.360 3.158 10.248 1.00 23.57 O ATOM 1189 CB ILE A 855 9.390 4.804 13.048 1.00 25.92 C ATOM 1190 CG1 ILE A 855 8.984 4.552 14.531 1.00 26.74 C ATOM 1191 CG2 ILE A 855 8.167 4.809 12.091 1.00 25.32 C ATOM 1192 CD1 ILE A 855 8.280 3.109 14.885 1.00 28.53 C ATOM 1193 H ILE A 855 11.843 4.770 13.967 1.00 0.00 H ATOM 1194 N SER A 856 11.561 5.036 10.679 1.00 20.23 N ATOM 1195 CA SER A 856 11.893 5.250 9.268 1.00 20.23 C ATOM 1196 C SER A 856 12.726 4.073 8.703 1.00 24.56 C ATOM 1197 O SER A 856 12.531 3.671 7.555 1.00 22.97 O ATOM 1198 CB SER A 856 12.584 6.597 9.062 1.00 24.13 C ATOM 1199 OG SER A 856 13.879 6.589 9.632 1.00 37.52 O ATOM 1200 HG SER A 856 13.810 6.410 10.603 1.00 0.00 H ATOM 1201 H SER A 856 11.912 5.701 11.398 1.00 0.00 H ATOM 1202 N LEU A 857 13.546 3.433 9.554 1.00 22.50 N ATOM 1203 CA LEU A 857 14.310 2.251 9.136 1.00 22.56 C ATOM 1204 C LEU A 857 13.388 1.052 8.864 1.00 26.56 C ATOM 1205 O LEU A 857 13.655 0.274 7.934 1.00 27.09 O ATOM 1206 CB LEU A 857 15.396 1.924 10.181 1.00 22.84 C ATOM 1207 CG LEU A 857 16.599 2.888 10.231 1.00 28.46 C ATOM 1208 CD1 LEU A 857 17.565 2.472 11.335 1.00 28.57 C ATOM 1209 CD2 LEU A 857 17.351 2.945 8.860 1.00 30.89 C ATOM 1210 H LEU A 857 13.641 3.782 10.529 1.00 0.00 H ATOM 1211 N GLN A 858 12.243 0.969 9.592 1.00 22.07 N ATOM 1212 CA GLN A 858 11.248 -0.084 9.377 1.00 20.87 C ATOM 1213 C GLN A 858 10.561 0.134 8.045 1.00 23.32 C ATOM 1214 O GLN A 858 10.238 -0.837 7.374 1.00 23.35 O ATOM 1215 CB GLN A 858 10.227 -0.174 10.524 1.00 21.96 C ATOM 1216 CG GLN A 858 10.814 -0.534 11.888 1.00 34.96 C ATOM 1217 CD GLN A 858 11.505 -1.880 11.866 1.00 67.59 C ATOM 1218 OE1 GLN A 858 10.930 -2.898 11.455 1.00 65.05 O ATOM 1219 NE2 GLN A 858 12.775 -1.897 12.253 1.00 65.99 N ATOM 1220 HE22 GLN A 858 13.227 -1.024 12.593 1.00 0.00 H ATOM 1221 HE21 GLN A 858 13.318 -2.783 12.216 1.00 0.00 H ATOM 1222 H GLN A 858 12.067 1.680 10.330 1.00 0.00 H ATOM 1223 N PHE A 859 10.407 1.412 7.612 1.00 19.66 N ATOM 1224 CA PHE A 859 9.828 1.701 6.295 1.00 19.16 C ATOM 1225 C PHE A 859 10.724 1.119 5.209 1.00 23.49 C ATOM 1226 O PHE A 859 10.211 0.572 4.238 1.00 23.19 O ATOM 1227 CB PHE A 859 9.650 3.219 6.077 1.00 19.92 C ATOM 1228 CG PHE A 859 8.517 3.901 6.827 1.00 20.24 C ATOM 1229 CD1 PHE A 859 7.967 3.330 7.972 1.00 21.28 C ATOM 1230 CD2 PHE A 859 8.033 5.136 6.410 1.00 20.22 C ATOM 1231 CE1 PHE A 859 6.943 3.971 8.671 1.00 22.93 C ATOM 1232 CE2 PHE A 859 7.011 5.784 7.114 1.00 22.23 C ATOM 1233 CZ PHE A 859 6.487 5.210 8.253 1.00 21.06 C ATOM 1234 H PHE A 859 10.704 2.199 8.224 1.00 0.00 H ATOM 1235 N VAL A 860 12.058 1.245 5.369 1.00 22.73 N ATOM 1236 CA VAL A 860 13.054 0.706 4.413 1.00 22.90 C ATOM 1237 C VAL A 860 12.949 -0.836 4.368 1.00 26.68 C ATOM 1238 O VAL A 860 12.841 -1.409 3.291 1.00 26.71 O ATOM 1239 CB VAL A 860 14.510 1.165 4.738 1.00 26.11 C ATOM 1240 CG1 VAL A 860 15.524 0.394 3.896 1.00 25.75 C ATOM 1241 CG2 VAL A 860 14.681 2.676 4.538 1.00 25.62 C ATOM 1242 H VAL A 860 12.406 1.748 6.210 1.00 0.00 H ATOM 1243 N ARG A 861 12.943 -1.479 5.543 1.00 25.69 N ATOM 1244 CA ARG A 861 12.832 -2.932 5.700 1.00 25.73 C ATOM 1245 C ARG A 861 11.583 -3.461 5.011 1.00 30.12 C ATOM 1246 O ARG A 861 11.660 -4.435 4.264 1.00 28.84 O ATOM 1247 CB ARG A 861 12.847 -3.307 7.195 1.00 26.57 C ATOM 1248 CG ARG A 861 12.812 -4.805 7.481 1.00 45.64 C ATOM 1249 CD ARG A 861 12.685 -5.112 8.964 1.00 58.20 C ATOM 1250 NE ARG A 861 11.909 -6.334 9.192 1.00 72.78 N ATOM 1251 CZ ARG A 861 10.650 -6.361 9.627 1.00 88.88 C ATOM 1252 NH1 ARG A 861 10.013 -5.229 9.912 1.00 74.33 N ATOM 1253 NH2 ARG A 861 10.025 -7.519 9.797 1.00 75.72 N ATOM 1254 HE ARG A 861 12.374 -7.244 9.001 1.00 0.00 H ATOM 1255 HH12 ARG A 861 9.030 -5.257 10.251 1.00 0.00 H ATOM 1256 HH11 ARG A 861 10.498 -4.316 9.796 1.00 0.00 H ATOM 1257 HH22 ARG A 861 9.042 -7.534 10.137 1.00 0.00 H ATOM 1258 HH21 ARG A 861 10.518 -8.411 9.590 1.00 0.00 H ATOM 1259 H ARG A 861 13.023 -0.905 6.407 1.00 0.00 H ATOM 1260 N LEU A 862 10.442 -2.782 5.216 1.00 24.59 N ATOM 1261 CA LEU A 862 9.171 -3.200 4.651 1.00 23.42 C ATOM 1262 C LEU A 862 8.933 -2.754 3.239 1.00 24.75 C ATOM 1263 O LEU A 862 8.014 -3.275 2.606 1.00 24.23 O ATOM 1264 CB LEU A 862 8.002 -2.721 5.529 1.00 23.24 C ATOM 1265 CG LEU A 862 7.911 -3.293 6.957 1.00 29.48 C ATOM 1266 CD1 LEU A 862 6.939 -2.477 7.797 1.00 30.74 C ATOM 1267 CD2 LEU A 862 7.489 -4.771 6.949 1.00 34.35 C ATOM 1268 H LEU A 862 10.470 -1.923 5.802 1.00 0.00 H ATOM 1269 N GLN A 863 9.715 -1.769 2.749 1.00 22.74 N ATOM 1270 CA GLN A 863 9.519 -1.136 1.439 1.00 22.47 C ATOM 1271 C GLN A 863 8.071 -0.597 1.398 1.00 24.15 C ATOM 1272 O GLN A 863 7.293 -0.851 0.481 1.00 22.97 O ATOM 1273 CB GLN A 863 9.897 -2.074 0.270 1.00 24.39 C ATOM 1274 CG GLN A 863 11.408 -2.319 0.165 1.00 36.36 C ATOM 1275 CD GLN A 863 12.161 -1.066 -0.248 1.00 51.70 C ATOM 1276 OE1 GLN A 863 12.152 -0.668 -1.418 1.00 52.04 O ATOM 1277 NE2 GLN A 863 12.792 -0.386 0.709 1.00 33.39 N ATOM 1278 HE22 GLN A 863 12.787 -0.739 1.687 1.00 0.00 H ATOM 1279 HE21 GLN A 863 13.289 0.498 0.477 1.00 0.00 H ATOM 1280 H GLN A 863 10.506 -1.438 3.337 1.00 0.00 H ATOM 1281 N LEU A 864 7.712 0.127 2.477 1.00 21.78 N ATOM 1282 CA LEU A 864 6.388 0.721 2.618 1.00 20.75 C ATOM 1283 C LEU A 864 6.021 1.526 1.392 1.00 21.56 C ATOM 1284 O LEU A 864 6.840 2.288 0.883 1.00 21.47 O ATOM 1285 CB LEU A 864 6.333 1.603 3.872 1.00 20.67 C ATOM 1286 CG LEU A 864 4.925 1.987 4.317 1.00 23.85 C ATOM 1287 CD1 LEU A 864 4.205 0.781 4.946 1.00 22.57 C ATOM 1288 CD2 LEU A 864 4.992 3.138 5.320 1.00 23.56 C ATOM 1289 H LEU A 864 8.406 0.267 3.238 1.00 0.00 H ATOM 1290 N THR A 865 4.806 1.338 0.906 1.00 18.02 N ATOM 1291 CA THR A 865 4.345 2.066 -0.273 1.00 18.84 C ATOM 1292 C THR A 865 3.620 3.317 0.162 1.00 21.41 C ATOM 1293 O THR A 865 3.143 3.399 1.310 1.00 17.97 O ATOM 1294 CB THR A 865 3.431 1.192 -1.181 1.00 21.14 C ATOM 1295 OG1 THR A 865 2.185 0.963 -0.543 1.00 20.79 O ATOM 1296 CG2 THR A 865 4.086 -0.144 -1.613 1.00 22.74 C ATOM 1297 HG1 THR A 865 1.613 0.407 -1.129 1.00 0.00 H ATOM 1298 H THR A 865 4.168 0.661 1.371 1.00 0.00 H ATOM 1299 N PHE A 866 3.455 4.254 -0.780 1.00 19.41 N ATOM 1300 CA PHE A 866 2.717 5.495 -0.521 1.00 19.44 C ATOM 1301 C PHE A 866 1.256 5.200 -0.202 1.00 21.69 C ATOM 1302 O PHE A 866 0.705 5.804 0.716 1.00 20.47 O ATOM 1303 CB PHE A 866 2.863 6.488 -1.689 1.00 21.27 C ATOM 1304 CG PHE A 866 2.227 7.836 -1.410 1.00 22.29 C ATOM 1305 CD1 PHE A 866 2.676 8.635 -0.359 1.00 25.25 C ATOM 1306 CD2 PHE A 866 1.199 8.320 -2.214 1.00 24.40 C ATOM 1307 CE1 PHE A 866 2.104 9.891 -0.116 1.00 25.51 C ATOM 1308 CE2 PHE A 866 0.632 9.577 -1.974 1.00 25.58 C ATOM 1309 CZ PHE A 866 1.087 10.353 -0.932 1.00 23.88 C ATOM 1310 H PHE A 866 3.862 4.097 -1.724 1.00 0.00 H ATOM 1311 N GLU A 867 0.646 4.224 -0.909 1.00 19.11 N ATOM 1312 CA GLU A 867 -0.747 3.786 -0.683 1.00 19.77 C ATOM 1313 C GLU A 867 -0.939 3.276 0.759 1.00 21.86 C ATOM 1314 O GLU A 867 -1.886 3.668 1.456 1.00 18.43 O ATOM 1315 CB GLU A 867 -1.125 2.686 -1.689 1.00 22.14 C ATOM 1316 CG GLU A 867 -0.934 3.109 -3.142 1.00 36.24 C ATOM 1317 CD GLU A 867 0.364 2.614 -3.768 1.00 63.90 C ATOM 1318 OE1 GLU A 867 1.450 3.160 -3.450 1.00 32.23 O ATOM 1319 OE2 GLU A 867 0.289 1.665 -4.581 1.00 72.34 O ATOM 1320 H GLU A 867 1.190 3.752 -1.659 1.00 0.00 H ATOM 1321 N GLU A 868 -0.005 2.429 1.215 1.00 18.04 N ATOM 1322 CA GLU A 868 -0.023 1.883 2.586 1.00 16.23 C ATOM 1323 C GLU A 868 0.139 3.004 3.593 1.00 18.22 C ATOM 1324 O GLU A 868 -0.606 3.063 4.576 1.00 17.25 O ATOM 1325 CB GLU A 868 1.111 0.871 2.765 1.00 16.97 C ATOM 1326 CG GLU A 868 0.809 -0.448 2.065 1.00 22.49 C ATOM 1327 CD GLU A 868 1.997 -1.377 1.888 1.00 26.33 C ATOM 1328 OE1 GLU A 868 1.755 -2.572 1.601 1.00 24.41 O ATOM 1329 OE2 GLU A 868 3.158 -0.921 2.013 1.00 24.96 O ATOM 1330 H GLU A 868 0.765 2.145 0.576 1.00 0.00 H ATOM 1331 N TYR A 869 1.116 3.880 3.352 1.00 16.87 N ATOM 1332 CA TYR A 869 1.403 5.009 4.232 1.00 15.79 C ATOM 1333 C TYR A 869 0.137 5.881 4.431 1.00 15.63 C ATOM 1334 O TYR A 869 -0.208 6.198 5.567 1.00 15.33 O ATOM 1335 CB TYR A 869 2.565 5.833 3.662 1.00 16.41 C ATOM 1336 CG TYR A 869 2.646 7.232 4.213 1.00 17.07 C ATOM 1337 CD1 TYR A 869 3.059 7.463 5.519 1.00 16.75 C ATOM 1338 CD2 TYR A 869 2.311 8.334 3.425 1.00 18.86 C ATOM 1339 CE1 TYR A 869 3.092 8.747 6.048 1.00 15.43 C ATOM 1340 CE2 TYR A 869 2.402 9.629 3.927 1.00 20.13 C ATOM 1341 CZ TYR A 869 2.787 9.828 5.242 1.00 21.89 C ATOM 1342 OH TYR A 869 2.902 11.089 5.749 1.00 24.44 O ATOM 1343 HH TYR A 869 3.577 11.592 5.228 1.00 0.00 H ATOM 1344 H TYR A 869 1.699 3.753 2.500 1.00 0.00 H ATOM 1345 N THR A 870 -0.529 6.288 3.341 1.00 13.16 N ATOM 1346 CA THR A 870 -1.716 7.167 3.455 1.00 14.04 C ATOM 1347 C THR A 870 -2.835 6.541 4.288 1.00 17.70 C ATOM 1348 O THR A 870 -3.420 7.228 5.112 1.00 17.06 O ATOM 1349 CB THR A 870 -2.242 7.665 2.091 1.00 16.82 C ATOM 1350 OG1 THR A 870 -2.730 6.560 1.325 1.00 19.28 O ATOM 1351 CG2 THR A 870 -1.219 8.513 1.333 1.00 18.91 C ATOM 1352 HG1 THR A 870 -1.995 5.913 1.176 1.00 0.00 H ATOM 1353 H THR A 870 -0.207 5.982 2.401 1.00 0.00 H ATOM 1354 N ILE A 871 -3.097 5.234 4.108 1.00 16.58 N ATOM 1355 CA ILE A 871 -4.142 4.548 4.881 1.00 16.14 C ATOM 1356 C ILE A 871 -3.737 4.480 6.333 1.00 17.63 C ATOM 1357 O ILE A 871 -4.568 4.742 7.209 1.00 16.44 O ATOM 1358 CB ILE A 871 -4.511 3.147 4.314 1.00 19.05 C ATOM 1359 CG1 ILE A 871 -5.047 3.256 2.862 1.00 20.39 C ATOM 1360 CG2 ILE A 871 -5.546 2.452 5.227 1.00 19.46 C ATOM 1361 CD1 ILE A 871 -4.883 1.876 2.114 1.00 27.07 C ATOM 1362 H ILE A 871 -2.548 4.697 3.407 1.00 0.00 H ATOM 1363 N MET A 872 -2.474 4.108 6.586 1.00 15.59 N ATOM 1364 CA MET A 872 -1.938 4.016 7.966 1.00 15.21 C ATOM 1365 C MET A 872 -2.022 5.356 8.713 1.00 16.82 C ATOM 1366 O MET A 872 -2.280 5.373 9.920 1.00 15.64 O ATOM 1367 CB MET A 872 -0.503 3.484 7.961 1.00 16.49 C ATOM 1368 CG MET A 872 -0.430 2.015 7.539 1.00 18.22 C ATOM 1369 SD MET A 872 1.237 1.490 7.160 1.00 20.82 S ATOM 1370 CE MET A 872 1.884 1.223 8.828 1.00 18.41 C ATOM 1371 H MET A 872 -1.849 3.876 5.788 1.00 0.00 H ATOM 1372 N LYS A 873 -1.779 6.469 8.001 1.00 14.71 N ATOM 1373 CA LYS A 873 -1.852 7.798 8.620 1.00 15.73 C ATOM 1374 C LYS A 873 -3.280 8.086 9.071 1.00 17.69 C ATOM 1375 O LYS A 873 -3.470 8.661 10.126 1.00 16.54 O ATOM 1376 CB LYS A 873 -1.334 8.878 7.666 1.00 18.12 C ATOM 1377 CG LYS A 873 -1.138 10.224 8.405 1.00 30.14 C ATOM 1378 CD LYS A 873 -0.013 11.103 7.837 1.00 32.05 C ATOM 1379 CE LYS A 873 -0.138 11.394 6.351 1.00 32.15 C ATOM 1380 NZ LYS A 873 -1.461 11.907 5.932 1.00 25.61 N ATOM 1381 HZ1 LYS A 873 -2.193 11.206 6.165 1.00 0.00 H ATOM 1382 HZ2 LYS A 873 -1.660 12.797 6.432 1.00 0.00 H ATOM 1383 HZ3 LYS A 873 -1.456 12.077 4.906 1.00 0.00 H ATOM 1384 H LYS A 873 -1.535 6.388 6.993 1.00 0.00 H ATOM 1385 N VAL A 874 -4.295 7.687 8.277 1.00 16.58 N ATOM 1386 CA VAL A 874 -5.705 7.834 8.676 1.00 15.89 C ATOM 1387 C VAL A 874 -5.926 6.977 9.914 1.00 18.77 C ATOM 1388 O VAL A 874 -6.544 7.423 10.874 1.00 17.06 O ATOM 1389 CB VAL A 874 -6.720 7.460 7.547 1.00 19.11 C ATOM 1390 CG1 VAL A 874 -8.159 7.529 8.072 1.00 19.22 C ATOM 1391 CG2 VAL A 874 -6.536 8.362 6.321 1.00 19.12 C ATOM 1392 H VAL A 874 -4.075 7.262 7.354 1.00 0.00 H ATOM 1393 N LEU A 875 -5.390 5.743 9.923 1.00 16.36 N ATOM 1394 CA LEU A 875 -5.557 4.909 11.117 1.00 16.90 C ATOM 1395 C LEU A 875 -4.943 5.528 12.360 1.00 16.47 C ATOM 1396 O LEU A 875 -5.510 5.391 13.438 1.00 16.47 O ATOM 1397 CB LEU A 875 -5.061 3.464 10.886 1.00 17.23 C ATOM 1398 CG LEU A 875 -5.949 2.711 9.865 1.00 23.01 C ATOM 1399 CD1 LEU A 875 -5.302 1.373 9.435 1.00 22.89 C ATOM 1400 CD2 LEU A 875 -7.380 2.518 10.407 1.00 26.28 C ATOM 1401 H LEU A 875 -4.867 5.387 9.098 1.00 0.00 H ATOM 1402 N LEU A 876 -3.844 6.269 12.218 1.00 14.17 N ATOM 1403 CA LEU A 876 -3.257 6.968 13.364 1.00 13.44 C ATOM 1404 C LEU A 876 -4.167 8.087 13.871 1.00 17.13 C ATOM 1405 O LEU A 876 -4.310 8.254 15.082 1.00 17.87 O ATOM 1406 CB LEU A 876 -1.871 7.517 13.020 1.00 12.65 C ATOM 1407 CG LEU A 876 -0.782 6.430 12.857 1.00 15.94 C ATOM 1408 CD1 LEU A 876 0.500 7.090 12.416 1.00 15.57 C ATOM 1409 CD2 LEU A 876 -0.537 5.587 14.188 1.00 15.51 C ATOM 1410 H LEU A 876 -3.398 6.352 11.282 1.00 0.00 H ATOM 1411 N LEU A 877 -4.793 8.846 12.954 1.00 14.29 N ATOM 1412 CA LEU A 877 -5.768 9.889 13.333 1.00 14.99 C ATOM 1413 C LEU A 877 -6.911 9.262 14.183 1.00 18.21 C ATOM 1414 O LEU A 877 -7.487 9.909 15.062 1.00 18.25 O ATOM 1415 CB LEU A 877 -6.370 10.533 12.057 1.00 14.26 C ATOM 1416 CG LEU A 877 -7.621 11.459 12.250 1.00 16.62 C ATOM 1417 CD1 LEU A 877 -7.279 12.737 13.055 1.00 16.74 C ATOM 1418 CD2 LEU A 877 -8.231 11.822 10.908 1.00 18.89 C ATOM 1419 H LEU A 877 -4.584 8.694 11.947 1.00 0.00 H ATOM 1420 N LEU A 878 -7.187 7.980 13.945 1.00 15.52 N ATOM 1421 CA LEU A 878 -8.267 7.275 14.641 1.00 15.79 C ATOM 1422 C LEU A 878 -7.737 6.255 15.697 1.00 20.46 C ATOM 1423 O LEU A 878 -8.437 5.290 16.010 1.00 21.04 O ATOM 1424 CB LEU A 878 -9.074 6.541 13.560 1.00 15.38 C ATOM 1425 CG LEU A 878 -9.626 7.400 12.401 1.00 19.85 C ATOM 1426 CD1 LEU A 878 -10.329 6.526 11.355 1.00 21.03 C ATOM 1427 CD2 LEU A 878 -10.589 8.455 12.911 1.00 20.66 C ATOM 1428 H LEU A 878 -6.618 7.464 13.244 1.00 0.00 H ATOM 1429 N SER A 879 -6.532 6.480 16.242 1.00 17.36 N ATOM 1430 CA SER A 879 -5.918 5.509 17.149 1.00 17.86 C ATOM 1431 C SER A 879 -5.939 5.852 18.627 1.00 21.04 C ATOM 1432 O SER A 879 -5.465 5.039 19.423 1.00 20.04 O ATOM 1433 CB SER A 879 -4.484 5.213 16.720 1.00 21.21 C ATOM 1434 OG SER A 879 -4.489 4.357 15.594 1.00 25.91 O ATOM 1435 HG SER A 879 -4.971 4.796 14.849 1.00 0.00 H ATOM 1436 H SER A 879 -6.025 7.360 16.016 1.00 0.00 H ATOM 1437 N THR A 880 -6.455 7.027 19.004 1.00 17.73 N ATOM 1438 CA THR A 880 -6.521 7.438 20.420 1.00 19.48 C ATOM 1439 C THR A 880 -7.842 8.116 20.674 1.00 23.83 C ATOM 1440 O THR A 880 -8.180 9.092 19.992 1.00 23.04 O ATOM 1441 CB THR A 880 -5.326 8.354 20.825 1.00 26.49 C ATOM 1442 OG1 THR A 880 -4.091 7.861 20.306 1.00 28.81 O ATOM 1443 CG2 THR A 880 -5.211 8.542 22.338 1.00 27.15 C ATOM 1444 HG1 THR A 880 -4.140 7.827 19.318 1.00 0.00 H ATOM 1445 H THR A 880 -6.822 7.672 18.275 1.00 0.00 H ATOM 1446 N ILE A 881 -8.588 7.620 21.675 1.00 21.68 N ATOM 1447 CA ILE A 881 -9.899 8.178 22.015 1.00 22.08 C ATOM 1448 C ILE A 881 -10.019 8.459 23.511 1.00 26.22 C ATOM 1449 O ILE A 881 -9.184 7.985 24.278 1.00 26.46 O ATOM 1450 CB ILE A 881 -11.066 7.252 21.521 1.00 24.91 C ATOM 1451 CG1 ILE A 881 -11.023 5.846 22.205 1.00 26.80 C ATOM 1452 CG2 ILE A 881 -11.116 7.168 19.984 1.00 23.69 C ATOM 1453 CD1 ILE A 881 -12.222 4.912 21.915 1.00 32.12 C ATOM 1454 H ILE A 881 -8.224 6.816 22.225 1.00 0.00 H ATOM 1455 N PRO A 882 -11.068 9.156 23.974 1.00 24.87 N ATOM 1456 CA PRO A 882 -11.223 9.342 25.429 1.00 25.42 C ATOM 1457 C PRO A 882 -11.565 8.007 26.077 1.00 29.84 C ATOM 1458 O PRO A 882 -12.133 7.123 25.436 1.00 27.49 O ATOM 1459 CB PRO A 882 -12.425 10.303 25.538 1.00 26.53 C ATOM 1460 CG PRO A 882 -12.505 10.962 24.211 1.00 30.80 C ATOM 1461 CD PRO A 882 -12.146 9.861 23.249 1.00 26.11 C ATOM 1462 N LYS A 883 -11.214 7.862 27.354 1.00 31.15 N ATOM 1463 CA LYS A 883 -11.472 6.654 28.132 1.00 32.23 C ATOM 1464 C LYS A 883 -12.973 6.334 28.103 1.00 37.65 C ATOM 1465 O LYS A 883 -13.343 5.191 27.884 1.00 37.63 O ATOM 1466 CB LYS A 883 -10.942 6.847 29.568 1.00 35.49 C ATOM 1467 CG LYS A 883 -10.954 5.587 30.425 1.00 53.92 C ATOM 1468 CD LYS A 883 -10.252 5.797 31.773 1.00 65.15 C ATOM 1469 CE LYS A 883 -11.180 6.198 32.904 1.00 75.66 C ATOM 1470 NZ LYS A 883 -11.482 7.655 32.894 1.00 83.30 N ATOM 1471 HZ1 LYS A 883 -10.597 8.192 32.996 1.00 0.00 H ATOM 1472 HZ2 LYS A 883 -11.940 7.907 31.995 1.00 0.00 H ATOM 1473 HZ3 LYS A 883 -12.119 7.881 33.684 1.00 0.00 H ATOM 1474 H LYS A 883 -10.729 8.654 27.823 1.00 0.00 H ATOM 1475 N ASP A 884 -13.824 7.361 28.207 1.00 37.15 N ATOM 1476 CA ASP A 884 -15.274 7.178 28.178 1.00 38.58 C ATOM 1477 C ASP A 884 -15.853 7.214 26.747 1.00 41.38 C ATOM 1478 O ASP A 884 -17.074 7.193 26.581 1.00 42.78 O ATOM 1479 CB ASP A 884 -15.971 8.168 29.132 1.00 41.63 C ATOM 1480 CG ASP A 884 -15.413 8.090 30.553 1.00 58.60 C ATOM 1481 OD1 ASP A 884 -15.440 6.979 31.146 1.00 58.15 O ATOM 1482 OD2 ASP A 884 -14.877 9.118 31.042 1.00 67.44 O ATOM 1483 H ASP A 884 -13.441 8.322 28.312 1.00 0.00 H ATOM 1484 N GLY A 885 -14.971 7.181 25.742 1.00 34.16 N ATOM 1485 CA GLY A 885 -15.354 7.139 24.335 1.00 31.43 C ATOM 1486 C GLY A 885 -15.790 8.470 23.762 1.00 30.35 C ATOM 1487 O GLY A 885 -15.857 9.475 24.461 1.00 28.43 O ATOM 1488 H GLY A 885 -13.958 7.186 25.976 1.00 0.00 H ATOM 1489 N LEU A 886 -16.084 8.477 22.467 1.00 25.38 N ATOM 1490 CA LEU A 886 -16.500 9.672 21.744 1.00 23.20 C ATOM 1491 C LEU A 886 -18.003 9.959 21.858 1.00 26.18 C ATOM 1492 O LEU A 886 -18.753 9.096 22.316 1.00 26.01 O ATOM 1493 CB LEU A 886 -16.088 9.509 20.281 1.00 23.25 C ATOM 1494 CG LEU A 886 -14.558 9.479 20.051 1.00 26.52 C ATOM 1495 CD1 LEU A 886 -14.250 8.959 18.700 1.00 25.91 C ATOM 1496 CD2 LEU A 886 -13.938 10.857 20.191 1.00 26.11 C ATOM 1497 H LEU A 886 -16.014 7.583 21.941 1.00 0.00 H ATOM 1498 N LYS A 887 -18.445 11.158 21.444 1.00 23.22 N ATOM 1499 CA LYS A 887 -19.885 11.505 21.444 1.00 24.03 C ATOM 1500 C LYS A 887 -20.658 10.542 20.516 1.00 27.58 C ATOM 1501 O LYS A 887 -21.711 10.017 20.880 1.00 26.24 O ATOM 1502 CB LYS A 887 -20.113 12.976 21.032 1.00 26.60 C ATOM 1503 CG LYS A 887 -19.558 14.004 22.023 1.00 40.88 C ATOM 1504 CD LYS A 887 -20.213 13.953 23.412 1.00 51.57 C ATOM 1505 CE LYS A 887 -21.469 14.795 23.513 1.00 73.40 C ATOM 1506 NZ LYS A 887 -22.108 14.677 24.855 1.00 85.57 N ATOM 1507 HZ1 LYS A 887 -22.365 13.684 25.029 1.00 0.00 H ATOM 1508 HZ2 LYS A 887 -21.440 14.997 25.585 1.00 0.00 H ATOM 1509 HZ3 LYS A 887 -22.964 15.268 24.883 1.00 0.00 H ATOM 1510 H LYS A 887 -17.756 11.863 21.114 1.00 0.00 H ATOM 1511 N SER A 888 -20.088 10.280 19.341 1.00 23.90 N ATOM 1512 CA SER A 888 -20.649 9.362 18.366 1.00 23.00 C ATOM 1513 C SER A 888 -19.670 8.196 18.173 1.00 25.33 C ATOM 1514 O SER A 888 -18.990 8.097 17.155 1.00 22.56 O ATOM 1515 CB SER A 888 -20.960 10.082 17.059 1.00 25.91 C ATOM 1516 OG SER A 888 -22.020 11.011 17.249 1.00 29.42 O ATOM 1517 HG SER A 888 -22.211 11.471 16.393 1.00 0.00 H ATOM 1518 H SER A 888 -19.194 10.758 19.110 1.00 0.00 H ATOM 1519 N GLN A 889 -19.603 7.310 19.178 1.00 22.89 N ATOM 1520 CA GLN A 889 -18.707 6.155 19.175 1.00 21.88 C ATOM 1521 C GLN A 889 -18.959 5.207 18.000 1.00 27.84 C ATOM 1522 O GLN A 889 -17.992 4.749 17.368 1.00 26.67 O ATOM 1523 CB GLN A 889 -18.755 5.419 20.537 1.00 23.03 C ATOM 1524 CG GLN A 889 -17.701 4.302 20.721 1.00 27.16 C ATOM 1525 CD GLN A 889 -16.269 4.794 20.710 1.00 32.18 C ATOM 1526 OE1 GLN A 889 -15.978 5.933 21.088 1.00 25.93 O ATOM 1527 NE2 GLN A 889 -15.339 3.936 20.273 1.00 28.21 N ATOM 1528 HE22 GLN A 889 -15.616 2.983 19.961 1.00 0.00 H ATOM 1529 HE21 GLN A 889 -14.340 4.222 20.245 1.00 0.00 H ATOM 1530 H GLN A 889 -20.221 7.452 20.002 1.00 0.00 H ATOM 1531 N ALA A 890 -20.249 4.951 17.673 1.00 25.20 N ATOM 1532 CA ALA A 890 -20.621 4.039 16.573 1.00 25.74 C ATOM 1533 C ALA A 890 -20.155 4.555 15.209 1.00 26.43 C ATOM 1534 O ALA A 890 -19.588 3.786 14.425 1.00 25.53 O ATOM 1535 CB ALA A 890 -22.131 3.774 16.574 1.00 26.75 C ATOM 1536 H ALA A 890 -21.005 5.414 18.217 1.00 0.00 H ATOM 1537 N ALA A 891 -20.327 5.868 14.964 1.00 23.30 N ATOM 1538 CA ALA A 891 -19.880 6.520 13.734 1.00 22.21 C ATOM 1539 C ALA A 891 -18.339 6.431 13.639 1.00 24.53 C ATOM 1540 O ALA A 891 -17.823 6.095 12.578 1.00 24.08 O ATOM 1541 CB ALA A 891 -20.328 7.972 13.711 1.00 21.87 C ATOM 1542 H ALA A 891 -20.802 6.447 15.686 1.00 0.00 H ATOM 1543 N PHE A 892 -17.624 6.663 14.762 1.00 20.91 N ATOM 1544 CA PHE A 892 -16.155 6.562 14.806 1.00 19.47 C ATOM 1545 C PHE A 892 -15.720 5.139 14.443 1.00 23.04 C ATOM 1546 O PHE A 892 -14.872 4.964 13.576 1.00 20.19 O ATOM 1547 CB PHE A 892 -15.596 6.954 16.191 1.00 20.01 C ATOM 1548 CG PHE A 892 -14.172 6.477 16.417 1.00 20.17 C ATOM 1549 CD1 PHE A 892 -13.094 7.160 15.859 1.00 20.53 C ATOM 1550 CD2 PHE A 892 -13.915 5.344 17.177 1.00 21.66 C ATOM 1551 CE1 PHE A 892 -11.789 6.696 16.037 1.00 21.48 C ATOM 1552 CE2 PHE A 892 -12.615 4.861 17.329 1.00 24.39 C ATOM 1553 CZ PHE A 892 -11.558 5.563 16.790 1.00 22.14 C ATOM 1554 H PHE A 892 -18.132 6.924 15.631 1.00 0.00 H ATOM 1555 N GLU A 893 -16.304 4.124 15.115 1.00 20.76 N ATOM 1556 CA GLU A 893 -15.969 2.725 14.875 1.00 21.77 C ATOM 1557 C GLU A 893 -16.228 2.299 13.436 1.00 25.33 C ATOM 1558 O GLU A 893 -15.421 1.566 12.872 1.00 24.82 O ATOM 1559 CB GLU A 893 -16.682 1.822 15.882 1.00 24.08 C ATOM 1560 CG GLU A 893 -16.083 1.985 17.271 1.00 29.68 C ATOM 1561 CD GLU A 893 -16.633 1.085 18.355 1.00 54.47 C ATOM 1562 OE1 GLU A 893 -16.221 1.258 19.525 1.00 42.67 O ATOM 1563 OE2 GLU A 893 -17.461 0.200 18.040 1.00 44.95 O ATOM 1564 H GLU A 893 -17.022 4.349 15.833 1.00 0.00 H ATOM 1565 N GLU A 894 -17.290 2.824 12.817 1.00 23.66 N ATOM 1566 CA GLU A 894 -17.580 2.527 11.412 1.00 23.90 C ATOM 1567 C GLU A 894 -16.467 3.074 10.507 1.00 24.54 C ATOM 1568 O GLU A 894 -16.015 2.371 9.610 1.00 24.73 O ATOM 1569 CB GLU A 894 -18.930 3.112 10.997 1.00 25.79 C ATOM 1570 CG GLU A 894 -19.319 2.725 9.579 1.00 38.62 C ATOM 1571 CD GLU A 894 -20.669 3.251 9.141 1.00 67.34 C ATOM 1572 OE1 GLU A 894 -20.884 4.483 9.227 1.00 51.65 O ATOM 1573 OE2 GLU A 894 -21.499 2.436 8.679 1.00 70.08 O ATOM 1574 H GLU A 894 -17.924 3.457 13.344 1.00 0.00 H ATOM 1575 N MET A 895 -16.061 4.329 10.714 1.00 21.02 N ATOM 1576 CA MET A 895 -14.997 4.930 9.901 1.00 20.14 C ATOM 1577 C MET A 895 -13.700 4.155 10.106 1.00 22.34 C ATOM 1578 O MET A 895 -13.062 3.800 9.106 1.00 20.71 O ATOM 1579 CB MET A 895 -14.805 6.421 10.238 1.00 21.27 C ATOM 1580 CG MET A 895 -13.728 7.086 9.374 1.00 23.38 C ATOM 1581 SD MET A 895 -13.464 8.780 9.888 1.00 25.75 S ATOM 1582 CE MET A 895 -12.182 9.307 8.717 1.00 22.98 C ATOM 1583 H MET A 895 -16.507 4.892 11.466 1.00 0.00 H ATOM 1584 N ARG A 896 -13.322 3.875 11.378 1.00 19.16 N ATOM 1585 CA ARG A 896 -12.101 3.118 11.667 1.00 18.46 C ATOM 1586 C ARG A 896 -12.084 1.730 10.999 1.00 21.89 C ATOM 1587 O ARG A 896 -11.086 1.365 10.360 1.00 20.35 O ATOM 1588 CB ARG A 896 -11.835 3.027 13.174 1.00 16.85 C ATOM 1589 CG ARG A 896 -10.516 2.323 13.490 1.00 22.25 C ATOM 1590 CD ARG A 896 -10.060 2.565 14.907 1.00 22.22 C ATOM 1591 NE ARG A 896 -9.122 1.528 15.330 1.00 24.76 N ATOM 1592 CZ ARG A 896 -7.799 1.628 15.277 1.00 34.11 C ATOM 1593 NH1 ARG A 896 -7.226 2.737 14.818 1.00 22.52 N ATOM 1594 NH2 ARG A 896 -7.037 0.626 15.691 1.00 29.23 N ATOM 1595 HE ARG A 896 -9.522 0.643 15.702 1.00 0.00 H ATOM 1596 HH12 ARG A 896 -6.189 2.809 14.779 1.00 0.00 H ATOM 1597 HH11 ARG A 896 -7.815 3.532 14.498 1.00 0.00 H ATOM 1598 HH22 ARG A 896 -6.001 0.708 15.648 1.00 0.00 H ATOM 1599 HH21 ARG A 896 -7.475 -0.243 16.059 1.00 0.00 H ATOM 1600 H ARG A 896 -13.913 4.206 12.167 1.00 0.00 H ATOM 1601 N THR A 897 -13.191 0.973 11.133 1.00 20.52 N ATOM 1602 CA THR A 897 -13.335 -0.372 10.535 1.00 20.66 C ATOM 1603 C THR A 897 -13.150 -0.330 9.025 1.00 23.43 C ATOM 1604 O THR A 897 -12.458 -1.172 8.477 1.00 24.68 O ATOM 1605 CB THR A 897 -14.703 -0.991 10.923 1.00 30.27 C ATOM 1606 OG1 THR A 897 -14.754 -1.085 12.346 1.00 29.33 O ATOM 1607 CG2 THR A 897 -14.931 -2.386 10.309 1.00 33.98 C ATOM 1608 HG1 THR A 897 -15.621 -1.478 12.619 1.00 0.00 H ATOM 1609 H THR A 897 -13.985 1.354 11.686 1.00 0.00 H ATOM 1610 N ASN A 898 -13.732 0.668 8.376 1.00 21.46 N ATOM 1611 CA ASN A 898 -13.641 0.800 6.938 1.00 21.39 C ATOM 1612 C ASN A 898 -12.219 1.114 6.469 1.00 24.40 C ATOM 1613 O ASN A 898 -11.804 0.565 5.447 1.00 21.76 O ATOM 1614 CB ASN A 898 -14.689 1.777 6.441 1.00 25.36 C ATOM 1615 CG ASN A 898 -16.024 1.056 6.335 1.00 38.05 C ATOM 1616 OD1 ASN A 898 -16.213 0.167 5.513 1.00 43.92 O ATOM 1617 ND2 ASN A 898 -16.911 1.276 7.264 1.00 34.72 N ATOM 1618 HD22 ASN A 898 -16.755 2.029 7.964 1.00 0.00 H ATOM 1619 HD21 ASN A 898 -17.775 0.698 7.306 1.00 0.00 H ATOM 1620 H ASN A 898 -14.269 1.376 8.915 1.00 0.00 H ATOM 1621 N TYR A 899 -11.434 1.917 7.242 1.00 20.39 N ATOM 1622 CA TYR A 899 -10.047 2.133 6.844 1.00 20.43 C ATOM 1623 C TYR A 899 -9.182 0.891 7.112 1.00 23.06 C ATOM 1624 O TYR A 899 -8.233 0.635 6.360 1.00 21.99 O ATOM 1625 CB TYR A 899 -9.481 3.414 7.466 1.00 21.44 C ATOM 1626 CG TYR A 899 -9.899 4.630 6.676 1.00 20.99 C ATOM 1627 CD1 TYR A 899 -9.216 5.000 5.522 1.00 23.71 C ATOM 1628 CD2 TYR A 899 -11.028 5.368 7.037 1.00 20.62 C ATOM 1629 CE1 TYR A 899 -9.624 6.091 4.759 1.00 24.42 C ATOM 1630 CE2 TYR A 899 -11.437 6.473 6.292 1.00 21.23 C ATOM 1631 CZ TYR A 899 -10.715 6.842 5.164 1.00 27.24 C ATOM 1632 OH TYR A 899 -11.093 7.918 4.404 1.00 23.93 O ATOM 1633 HH TYR A 899 -11.082 8.735 4.963 1.00 0.00 H ATOM 1634 H TYR A 899 -11.816 2.367 8.098 1.00 0.00 H ATOM 1635 N ILE A 900 -9.531 0.083 8.149 1.00 20.46 N ATOM 1636 CA ILE A 900 -8.792 -1.183 8.385 1.00 20.32 C ATOM 1637 C ILE A 900 -9.040 -2.116 7.154 1.00 24.04 C ATOM 1638 O ILE A 900 -8.090 -2.701 6.627 1.00 23.65 O ATOM 1639 CB ILE A 900 -9.124 -1.869 9.736 1.00 23.17 C ATOM 1640 CG1 ILE A 900 -8.694 -0.968 10.939 1.00 22.68 C ATOM 1641 CG2 ILE A 900 -8.465 -3.274 9.832 1.00 23.53 C ATOM 1642 CD1 ILE A 900 -9.404 -1.293 12.315 1.00 23.27 C ATOM 1643 H ILE A 900 -10.315 0.352 8.777 1.00 0.00 H ATOM 1644 N LYS A 901 -10.300 -2.175 6.668 1.00 23.74 N ATOM 1645 CA LYS A 901 -10.656 -2.953 5.458 1.00 23.39 C ATOM 1646 C LYS A 901 -9.858 -2.484 4.256 1.00 26.52 C ATOM 1647 O LYS A 901 -9.343 -3.320 3.505 1.00 24.74 O ATOM 1648 CB LYS A 901 -12.163 -2.907 5.158 1.00 26.29 C ATOM 1649 CG LYS A 901 -13.013 -3.577 6.225 1.00 43.57 C ATOM 1650 CD LYS A 901 -14.498 -3.556 5.882 1.00 55.09 C ATOM 1651 CE LYS A 901 -15.313 -4.241 6.952 1.00 58.64 C ATOM 1652 NZ LYS A 901 -16.757 -3.906 6.839 1.00 68.33 N ATOM 1653 HZ1 LYS A 901 -16.882 -2.878 6.938 1.00 0.00 H ATOM 1654 HZ2 LYS A 901 -17.111 -4.212 5.910 1.00 0.00 H ATOM 1655 HZ3 LYS A 901 -17.285 -4.395 7.590 1.00 0.00 H ATOM 1656 H LYS A 901 -11.051 -1.653 7.164 1.00 0.00 H ATOM 1657 N GLU A 902 -9.680 -1.144 4.113 1.00 22.37 N ATOM 1658 CA GLU A 902 -8.895 -0.582 3.014 1.00 21.90 C ATOM 1659 C GLU A 902 -7.432 -0.996 3.094 1.00 25.07 C ATOM 1660 O GLU A 902 -6.839 -1.311 2.064 1.00 23.50 O ATOM 1661 CB GLU A 902 -9.044 0.949 2.907 1.00 23.09 C ATOM 1662 CG GLU A 902 -10.427 1.415 2.468 1.00 34.73 C ATOM 1663 CD GLU A 902 -10.937 0.863 1.146 1.00 50.25 C ATOM 1664 OE1 GLU A 902 -12.144 0.540 1.067 1.00 45.42 O ATOM 1665 OE2 GLU A 902 -10.127 0.717 0.203 1.00 44.24 O ATOM 1666 H GLU A 902 -10.114 -0.500 4.805 1.00 0.00 H ATOM 1667 N LEU A 903 -6.852 -1.021 4.320 1.00 22.40 N ATOM 1668 CA LEU A 903 -5.457 -1.423 4.503 1.00 22.05 C ATOM 1669 C LEU A 903 -5.297 -2.897 4.107 1.00 25.94 C ATOM 1670 O LEU A 903 -4.335 -3.241 3.421 1.00 24.77 O ATOM 1671 CB LEU A 903 -4.997 -1.215 5.965 1.00 21.86 C ATOM 1672 CG LEU A 903 -3.484 -1.467 6.214 1.00 25.80 C ATOM 1673 CD1 LEU A 903 -2.619 -0.479 5.452 1.00 26.39 C ATOM 1674 CD2 LEU A 903 -3.162 -1.402 7.681 1.00 27.19 C ATOM 1675 H LEU A 903 -7.413 -0.747 5.152 1.00 0.00 H ATOM 1676 N ARG A 904 -6.229 -3.753 4.569 1.00 24.00 N ATOM 1677 CA ARG A 904 -6.199 -5.189 4.228 1.00 25.11 C ATOM 1678 C ARG A 904 -6.330 -5.433 2.705 1.00 30.91 C ATOM 1679 O ARG A 904 -5.651 -6.308 2.164 1.00 31.49 O ATOM 1680 CB ARG A 904 -7.252 -5.978 5.013 1.00 25.76 C ATOM 1681 CG ARG A 904 -7.123 -7.513 4.819 1.00 36.12 C ATOM 1682 CD ARG A 904 -5.816 -8.078 5.367 1.00 43.18 C ATOM 1683 NE ARG A 904 -5.651 -9.505 5.080 1.00 52.36 N ATOM 1684 CZ ARG A 904 -5.044 -9.998 4.004 1.00 72.22 C ATOM 1685 NH1 ARG A 904 -4.545 -9.183 3.082 1.00 59.78 N ATOM 1686 NH2 ARG A 904 -4.942 -11.308 3.835 1.00 65.92 N ATOM 1687 HE ARG A 904 -6.037 -10.183 5.768 1.00 0.00 H ATOM 1688 HH12 ARG A 904 -4.072 -9.575 2.243 1.00 0.00 H ATOM 1689 HH11 ARG A 904 -4.628 -8.153 3.199 1.00 0.00 H ATOM 1690 HH22 ARG A 904 -4.466 -11.688 2.992 1.00 0.00 H ATOM 1691 HH21 ARG A 904 -5.338 -11.956 4.545 1.00 0.00 H ATOM 1692 H ARG A 904 -6.989 -3.393 5.181 1.00 0.00 H ATOM 1693 N LYS A 905 -7.160 -4.648 2.020 1.00 29.50 N ATOM 1694 CA LYS A 905 -7.299 -4.746 0.555 1.00 30.47 C ATOM 1695 C LYS A 905 -5.987 -4.326 -0.120 1.00 34.39 C ATOM 1696 O LYS A 905 -5.534 -5.001 -1.042 1.00 34.94 O ATOM 1697 CB LYS A 905 -8.440 -3.849 0.045 1.00 33.52 C ATOM 1698 CG LYS A 905 -9.839 -4.335 0.366 1.00 47.79 C ATOM 1699 CD LYS A 905 -10.884 -3.396 -0.236 1.00 54.62 C ATOM 1700 CE LYS A 905 -12.227 -3.523 0.434 1.00 64.93 C ATOM 1701 NZ LYS A 905 -13.180 -2.486 -0.040 1.00 77.54 N ATOM 1702 HZ1 LYS A 905 -12.797 -1.542 0.171 1.00 0.00 H ATOM 1703 HZ2 LYS A 905 -13.316 -2.585 -1.066 1.00 0.00 H ATOM 1704 HZ3 LYS A 905 -14.092 -2.608 0.445 1.00 0.00 H ATOM 1705 H LYS A 905 -7.728 -3.944 2.534 1.00 0.00 H ATOM 1706 N MET A 906 -5.374 -3.217 0.350 1.00 29.98 N ATOM 1707 CA MET A 906 -4.135 -2.672 -0.189 1.00 31.03 C ATOM 1708 C MET A 906 -2.914 -3.622 -0.086 1.00 34.54 C ATOM 1709 O MET A 906 -2.154 -3.729 -1.055 1.00 33.39 O ATOM 1710 CB MET A 906 -3.823 -1.305 0.451 1.00 34.40 C ATOM 1711 CG MET A 906 -2.842 -0.454 -0.347 1.00 39.92 C ATOM 1712 SD MET A 906 -3.205 -0.274 -2.138 1.00 45.78 S ATOM 1713 CE MET A 906 -4.755 0.552 -2.090 1.00 42.44 C ATOM 1714 H MET A 906 -5.816 -2.720 1.149 1.00 0.00 H ATOM 1715 N VAL A 907 -2.737 -4.321 1.056 1.00 31.38 N ATOM 1716 CA VAL A 907 -1.586 -5.228 1.244 1.00 33.15 C ATOM 1717 C VAL A 907 -1.560 -6.391 0.221 1.00 42.85 C ATOM 1718 O VAL A 907 -0.468 -6.844 -0.116 1.00 43.51 O ATOM 1719 CB VAL A 907 -1.384 -5.744 2.692 1.00 36.16 C ATOM 1720 CG1 VAL A 907 -1.030 -4.607 3.632 1.00 35.70 C ATOM 1721 CG2 VAL A 907 -2.591 -6.516 3.205 1.00 35.87 C ATOM 1722 H VAL A 907 -3.430 -4.218 1.824 1.00 0.00 H ATOM 1723 N THR A 908 -2.729 -6.814 -0.317 1.00 43.12 N ATOM 1724 CA THR A 908 -2.811 -7.852 -1.368 1.00 45.16 C ATOM 1725 C THR A 908 -1.938 -7.487 -2.605 1.00 53.21 C ATOM 1726 O THR A 908 -1.446 -8.387 -3.292 1.00 53.75 O ATOM 1727 CB THR A 908 -4.265 -8.115 -1.815 1.00 51.15 C ATOM 1728 OG1 THR A 908 -4.713 -7.029 -2.633 1.00 52.47 O ATOM 1729 CG2 THR A 908 -5.229 -8.387 -0.645 1.00 45.71 C ATOM 1730 HG1 THR A 908 -4.673 -6.187 -2.113 1.00 0.00 H ATOM 1731 H THR A 908 -3.613 -6.388 0.026 1.00 0.00 H ATOM 1732 N LYS A 909 -1.741 -6.167 -2.863 1.00 51.28 N ATOM 1733 CA LYS A 909 -0.929 -5.646 -3.972 1.00 52.31 C ATOM 1734 C LYS A 909 0.592 -5.865 -3.788 1.00 58.11 C ATOM 1735 O LYS A 909 1.334 -5.752 -4.768 1.00 57.58 O ATOM 1736 CB LYS A 909 -1.247 -4.164 -4.259 1.00 55.27 C ATOM 1737 CG LYS A 909 -2.679 -3.914 -4.723 1.00 72.66 C ATOM 1738 CD LYS A 909 -2.890 -2.463 -5.123 1.00 84.47 C ATOM 1739 CE LYS A 909 -4.325 -2.182 -5.496 1.00 94.76 C ATOM 1740 NZ LYS A 909 -4.502 -0.786 -5.975 1.00104.25 N ATOM 1741 HZ1 LYS A 909 -4.222 -0.125 -5.223 1.00 0.00 H ATOM 1742 HZ2 LYS A 909 -3.907 -0.631 -6.814 1.00 0.00 H ATOM 1743 HZ3 LYS A 909 -5.500 -0.629 -6.222 1.00 0.00 H ATOM 1744 H LYS A 909 -2.197 -5.478 -2.232 1.00 0.00 H ATOM 1745 N SER A 910 1.054 -6.183 -2.550 1.00 56.10 N ATOM 1746 CA SER A 910 2.469 -6.469 -2.247 1.00 56.53 C ATOM 1747 C SER A 910 2.603 -7.883 -1.589 1.00 63.16 C ATOM 1748 O SER A 910 2.974 -7.972 -0.409 1.00 62.84 O ATOM 1749 CB SER A 910 3.076 -5.385 -1.350 1.00 59.01 C ATOM 1750 OG SER A 910 3.276 -4.139 -2.000 1.00 64.28 O ATOM 1751 HG SER A 910 2.407 -3.795 -2.326 1.00 0.00 H ATOM 1752 H SER A 910 0.368 -6.227 -1.769 1.00 0.00 H ATOM 1753 N PRO A 911 2.294 -9.003 -2.306 1.00 61.13 N ATOM 1754 CA PRO A 911 2.412 -10.324 -1.662 1.00 61.08 C ATOM 1755 C PRO A 911 3.828 -10.905 -1.718 1.00 64.64 C ATOM 1756 O PRO A 911 4.704 -10.323 -2.362 1.00 63.89 O ATOM 1757 CB PRO A 911 1.392 -11.178 -2.424 1.00 62.97 C ATOM 1758 CG PRO A 911 1.299 -10.547 -3.790 1.00 67.38 C ATOM 1759 CD PRO A 911 1.847 -9.137 -3.712 1.00 62.94 C ATOM 1760 N ASN A 912 4.054 -12.039 -1.019 1.00 61.24 N ATOM 1761 CA ASN A 912 5.347 -12.728 -0.994 1.00 93.71 C ATOM 1762 C ASN A 912 5.449 -13.720 -2.155 1.00130.14 C ATOM 1763 O ASN A 912 6.541 -13.998 -2.644 1.00 94.54 O ATOM 1764 CB ASN A 912 5.575 -13.433 0.356 1.00 94.29 C ATOM 1765 CG ASN A 912 4.530 -14.453 0.769 1.00117.71 C ATOM 1766 OD1 ASN A 912 3.501 -14.662 0.112 1.00111.85 O ATOM 1767 ND2 ASN A 912 4.771 -15.106 1.895 1.00109.87 N ATOM 1768 HD22 ASN A 912 5.642 -14.915 2.431 1.00 0.00 H ATOM 1769 HD21 ASN A 912 4.090 -15.810 2.244 1.00 0.00 H ATOM 1770 H ASN A 912 3.269 -12.444 -0.470 1.00 0.00 H TER 1771 ASN A 912 ATOM 1772 N SER A 914 4.553 -16.882 -3.277 1.00 67.90 N ATOM 1773 CA SER A 914 3.511 -17.608 -2.547 1.00 67.64 C ATOM 1774 C SER A 914 2.122 -16.965 -2.689 1.00 69.76 C ATOM 1775 O SER A 914 1.108 -17.667 -2.595 1.00 69.95 O ATOM 1776 CB SER A 914 3.888 -17.763 -1.076 1.00 71.93 C ATOM 1777 OG SER A 914 5.105 -18.476 -0.925 1.00 80.95 O ATOM 1778 HG SER A 914 5.320 -18.559 0.038 1.00 0.00 H ATOM 1779 HN3 SER A 914 4.615 -15.909 -2.914 1.00 0.00 H ATOM 1780 HN2 SER A 914 4.315 -16.861 -4.289 1.00 0.00 H ATOM 1781 HN1 SER A 914 5.466 -17.362 -3.144 1.00 0.00 H ATOM 1782 N GLY A 915 2.097 -15.650 -2.912 1.00 63.98 N ATOM 1783 CA GLY A 915 0.875 -14.875 -3.109 1.00 62.33 C ATOM 1784 C GLY A 915 0.099 -14.525 -1.854 1.00 62.54 C ATOM 1785 O GLY A 915 -1.036 -14.046 -1.950 1.00 62.43 O ATOM 1786 H GLY A 915 3.005 -15.145 -2.948 1.00 0.00 H ATOM 1787 N GLN A 916 0.707 -14.743 -0.669 1.00 55.42 N ATOM 1788 CA GLN A 916 0.090 -14.452 0.631 1.00 53.33 C ATOM 1789 C GLN A 916 0.411 -13.022 1.082 1.00 52.25 C ATOM 1790 O GLN A 916 1.539 -12.536 0.893 1.00 52.17 O ATOM 1791 CB GLN A 916 0.541 -15.447 1.710 1.00 54.63 C ATOM 1792 CG GLN A 916 0.396 -16.919 1.338 1.00 78.53 C ATOM 1793 CD GLN A 916 0.745 -17.819 2.496 1.00101.54 C ATOM 1794 OE1 GLN A 916 -0.134 -18.384 3.152 1.00 96.32 O ATOM 1795 NE2 GLN A 916 2.033 -17.964 2.784 1.00 95.59 N ATOM 1796 HE22 GLN A 916 2.752 -17.475 2.213 1.00 0.00 H ATOM 1797 HE21 GLN A 916 2.323 -18.566 3.581 1.00 0.00 H ATOM 1798 H GLN A 916 1.668 -15.140 -0.677 1.00 0.00 H ATOM 1799 N SER A 917 -0.584 -12.369 1.709 1.00 42.46 N ATOM 1800 CA SER A 917 -0.476 -10.995 2.186 1.00 39.49 C ATOM 1801 C SER A 917 -0.861 -10.819 3.669 1.00 37.93 C ATOM 1802 O SER A 917 -0.676 -9.717 4.192 1.00 34.40 O ATOM 1803 CB SER A 917 -1.270 -10.053 1.287 1.00 41.17 C ATOM 1804 OG SER A 917 -2.649 -10.379 1.312 1.00 45.80 O ATOM 1805 HG SER A 917 -3.145 -9.757 0.723 1.00 0.00 H ATOM 1806 H SER A 917 -1.481 -12.872 1.862 1.00 0.00 H ATOM 1807 N TRP A 918 -1.349 -11.896 4.359 1.00 31.85 N ATOM 1808 CA TRP A 918 -1.658 -11.824 5.790 1.00 31.59 C ATOM 1809 C TRP A 918 -0.428 -11.380 6.548 1.00 32.00 C ATOM 1810 O TRP A 918 -0.552 -10.582 7.476 1.00 32.86 O ATOM 1811 CB TRP A 918 -2.225 -13.150 6.396 1.00 30.93 C ATOM 1812 CG TRP A 918 -1.316 -14.354 6.326 1.00 31.91 C ATOM 1813 CD1 TRP A 918 -1.339 -15.330 5.373 1.00 34.79 C ATOM 1814 CD2 TRP A 918 -0.297 -14.743 7.272 1.00 31.91 C ATOM 1815 NE1 TRP A 918 -0.380 -16.278 5.641 1.00 34.03 N ATOM 1816 CE2 TRP A 918 0.279 -15.943 6.796 1.00 35.57 C ATOM 1817 CE3 TRP A 918 0.197 -14.189 8.467 1.00 33.52 C ATOM 1818 CZ2 TRP A 918 1.317 -16.602 7.471 1.00 35.07 C ATOM 1819 CZ3 TRP A 918 1.254 -14.818 9.117 1.00 35.35 C ATOM 1820 CH2 TRP A 918 1.798 -16.018 8.623 1.00 35.96 C ATOM 1821 HE1 TRP A 918 -0.185 -17.118 5.059 1.00 0.00 H ATOM 1822 H TRP A 918 -1.505 -12.791 3.853 1.00 0.00 H ATOM 1823 N GLN A 919 0.766 -11.874 6.136 1.00 25.17 N ATOM 1824 CA GLN A 919 2.027 -11.552 6.782 1.00 26.63 C ATOM 1825 C GLN A 919 2.267 -10.049 6.751 1.00 28.57 C ATOM 1826 O GLN A 919 2.575 -9.468 7.780 1.00 27.63 O ATOM 1827 CB GLN A 919 3.214 -12.267 6.125 1.00 28.82 C ATOM 1828 CG GLN A 919 3.195 -13.783 6.240 1.00 46.05 C ATOM 1829 CD GLN A 919 2.968 -14.445 4.905 1.00 66.71 C ATOM 1830 OE1 GLN A 919 3.661 -15.403 4.541 1.00 57.73 O ATOM 1831 NE2 GLN A 919 1.986 -13.949 4.147 1.00 58.31 N ATOM 1832 HE22 GLN A 919 1.424 -13.142 4.486 1.00 0.00 H ATOM 1833 HE21 GLN A 919 1.783 -14.370 3.218 1.00 0.00 H ATOM 1834 H GLN A 919 0.780 -12.515 5.317 1.00 0.00 H ATOM 1835 N ARG A 920 2.108 -9.430 5.578 1.00 24.98 N ATOM 1836 CA ARG A 920 2.313 -7.979 5.439 1.00 24.45 C ATOM 1837 C ARG A 920 1.324 -7.176 6.269 1.00 23.89 C ATOM 1838 O ARG A 920 1.748 -6.210 6.887 1.00 22.87 O ATOM 1839 CB ARG A 920 2.256 -7.537 3.969 1.00 25.15 C ATOM 1840 CG ARG A 920 2.762 -6.109 3.814 1.00 26.54 C ATOM 1841 CD ARG A 920 3.092 -5.799 2.398 1.00 33.37 C ATOM 1842 NE ARG A 920 3.587 -4.432 2.251 1.00 26.86 N ATOM 1843 CZ ARG A 920 4.843 -4.050 2.446 1.00 34.11 C ATOM 1844 NH1 ARG A 920 5.754 -4.921 2.872 1.00 23.93 N ATOM 1845 NH2 ARG A 920 5.195 -2.791 2.243 1.00 23.10 N ATOM 1846 HE ARG A 920 2.902 -3.701 1.972 1.00 0.00 H ATOM 1847 HH12 ARG A 920 6.736 -4.614 3.023 1.00 0.00 H ATOM 1848 HH11 ARG A 920 5.484 -5.909 3.054 1.00 0.00 H ATOM 1849 HH22 ARG A 920 6.180 -2.495 2.397 1.00 0.00 H ATOM 1850 HH21 ARG A 920 4.487 -2.097 1.930 1.00 0.00 H ATOM 1851 H ARG A 920 1.833 -9.986 4.743 1.00 0.00 H ATOM 1852 N PHE A 921 0.036 -7.580 6.302 1.00 20.95 N ATOM 1853 CA PHE A 921 -0.990 -6.927 7.115 1.00 21.74 C ATOM 1854 C PHE A 921 -0.565 -6.874 8.582 1.00 24.13 C ATOM 1855 O PHE A 921 -0.626 -5.802 9.189 1.00 22.39 O ATOM 1856 CB PHE A 921 -2.363 -7.612 6.960 1.00 24.08 C ATOM 1857 CG PHE A 921 -3.475 -6.996 7.788 1.00 26.15 C ATOM 1858 CD1 PHE A 921 -4.005 -5.750 7.457 1.00 29.79 C ATOM 1859 CD2 PHE A 921 -3.961 -7.641 8.917 1.00 28.89 C ATOM 1860 CE1 PHE A 921 -5.038 -5.185 8.216 1.00 31.04 C ATOM 1861 CE2 PHE A 921 -4.969 -7.064 9.694 1.00 32.66 C ATOM 1862 CZ PHE A 921 -5.505 -5.839 9.335 1.00 30.91 C ATOM 1863 H PHE A 921 -0.241 -8.396 5.720 1.00 0.00 H ATOM 1864 N TYR A 922 -0.087 -8.013 9.141 1.00 20.31 N ATOM 1865 CA TYR A 922 0.346 -8.031 10.535 1.00 19.76 C ATOM 1866 C TYR A 922 1.648 -7.292 10.776 1.00 21.59 C ATOM 1867 O TYR A 922 1.845 -6.809 11.872 1.00 22.30 O ATOM 1868 CB TYR A 922 0.395 -9.463 11.086 1.00 20.83 C ATOM 1869 CG TYR A 922 -0.981 -10.054 11.259 1.00 22.53 C ATOM 1870 CD1 TYR A 922 -1.854 -9.568 12.232 1.00 25.00 C ATOM 1871 CD2 TYR A 922 -1.403 -11.128 10.480 1.00 21.92 C ATOM 1872 CE1 TYR A 922 -3.108 -10.143 12.427 1.00 26.57 C ATOM 1873 CE2 TYR A 922 -2.660 -11.698 10.655 1.00 23.28 C ATOM 1874 CZ TYR A 922 -3.503 -11.213 11.643 1.00 29.26 C ATOM 1875 OH TYR A 922 -4.734 -11.776 11.835 1.00 26.83 O ATOM 1876 HH TYR A 922 -5.197 -11.309 12.575 1.00 0.00 H ATOM 1877 H TYR A 922 -0.028 -8.881 8.572 1.00 0.00 H ATOM 1878 N GLN A 923 2.511 -7.146 9.767 1.00 18.90 N ATOM 1879 CA GLN A 923 3.726 -6.325 9.898 1.00 19.18 C ATOM 1880 C GLN A 923 3.296 -4.832 9.994 1.00 22.60 C ATOM 1881 O GLN A 923 3.824 -4.091 10.815 1.00 23.85 O ATOM 1882 CB GLN A 923 4.628 -6.518 8.659 1.00 21.29 C ATOM 1883 CG GLN A 923 5.377 -7.877 8.671 1.00 28.32 C ATOM 1884 CD GLN A 923 6.243 -8.119 7.458 1.00 48.27 C ATOM 1885 OE1 GLN A 923 7.382 -8.565 7.580 1.00 55.37 O ATOM 1886 NE2 GLN A 923 5.734 -7.867 6.259 1.00 35.94 N ATOM 1887 HE22 GLN A 923 4.769 -7.490 6.173 1.00 0.00 H ATOM 1888 HE21 GLN A 923 6.300 -8.047 5.405 1.00 0.00 H ATOM 1889 H GLN A 923 2.319 -7.625 8.864 1.00 0.00 H ATOM 1890 N LEU A 924 2.284 -4.438 9.223 1.00 18.11 N ATOM 1891 CA LEU A 924 1.791 -3.036 9.251 1.00 17.29 C ATOM 1892 C LEU A 924 1.034 -2.690 10.518 1.00 20.06 C ATOM 1893 O LEU A 924 1.230 -1.598 11.043 1.00 20.12 O ATOM 1894 CB LEU A 924 0.975 -2.665 8.006 1.00 16.76 C ATOM 1895 CG LEU A 924 1.707 -2.868 6.653 1.00 22.33 C ATOM 1896 CD1 LEU A 924 0.882 -2.325 5.532 1.00 22.86 C ATOM 1897 CD2 LEU A 924 3.093 -2.230 6.666 1.00 23.53 C ATOM 1898 H LEU A 924 1.829 -5.125 8.588 1.00 0.00 H ATOM 1899 N THR A 925 0.206 -3.614 11.040 1.00 16.84 N ATOM 1900 CA THR A 925 -0.506 -3.369 12.287 1.00 17.37 C ATOM 1901 C THR A 925 0.465 -3.345 13.442 1.00 21.51 C ATOM 1902 O THR A 925 0.275 -2.554 14.358 1.00 20.56 O ATOM 1903 CB THR A 925 -1.697 -4.327 12.505 1.00 19.31 C ATOM 1904 OG1 THR A 925 -1.201 -5.662 12.468 1.00 20.72 O ATOM 1905 CG2 THR A 925 -2.818 -4.134 11.472 1.00 18.63 C ATOM 1906 HG1 THR A 925 -1.950 -6.295 12.606 1.00 0.00 H ATOM 1907 H THR A 925 0.072 -4.519 10.544 1.00 0.00 H ATOM 1908 N LYS A 926 1.516 -4.206 13.414 1.00 18.10 N ATOM 1909 CA LYS A 926 2.552 -4.200 14.466 1.00 18.89 C ATOM 1910 C LYS A 926 3.246 -2.812 14.432 1.00 22.12 C ATOM 1911 O LYS A 926 3.497 -2.205 15.478 1.00 20.92 O ATOM 1912 CB LYS A 926 3.594 -5.300 14.187 1.00 19.84 C ATOM 1913 CG LYS A 926 4.747 -5.328 15.201 1.00 33.79 C ATOM 1914 CD LYS A 926 5.689 -6.521 14.977 1.00 39.50 C ATOM 1915 CE LYS A 926 6.735 -6.588 16.071 1.00 47.69 C ATOM 1916 NZ LYS A 926 7.653 -7.744 15.889 1.00 59.33 N ATOM 1917 HZ1 LYS A 926 7.104 -8.627 15.907 1.00 0.00 H ATOM 1918 HZ2 LYS A 926 8.141 -7.657 14.975 1.00 0.00 H ATOM 1919 HZ3 LYS A 926 8.353 -7.754 16.658 1.00 0.00 H ATOM 1920 H LYS A 926 1.593 -4.887 12.631 1.00 0.00 H ATOM 1921 N LEU A 927 3.551 -2.328 13.224 1.00 20.57 N ATOM 1922 CA LEU A 927 4.181 -1.009 13.058 1.00 20.71 C ATOM 1923 C LEU A 927 3.303 0.102 13.658 1.00 23.17 C ATOM 1924 O LEU A 927 3.811 0.921 14.431 1.00 23.11 O ATOM 1925 CB LEU A 927 4.527 -0.749 11.579 1.00 20.96 C ATOM 1926 CG LEU A 927 5.290 0.536 11.217 1.00 26.92 C ATOM 1927 CD1 LEU A 927 6.561 0.699 12.034 1.00 28.38 C ATOM 1928 CD2 LEU A 927 5.647 0.536 9.708 1.00 29.46 C ATOM 1929 H LEU A 927 3.338 -2.898 12.381 1.00 0.00 H ATOM 1930 N LEU A 928 1.988 0.089 13.366 1.00 20.26 N ATOM 1931 CA LEU A 928 1.048 1.094 13.887 1.00 20.12 C ATOM 1932 C LEU A 928 0.981 1.057 15.411 1.00 23.97 C ATOM 1933 O LEU A 928 1.038 2.104 16.061 1.00 23.38 O ATOM 1934 CB LEU A 928 -0.358 0.905 13.284 1.00 20.62 C ATOM 1935 CG LEU A 928 -0.535 1.397 11.845 1.00 26.41 C ATOM 1936 CD1 LEU A 928 -1.793 0.851 11.239 1.00 25.27 C ATOM 1937 CD2 LEU A 928 -0.567 2.907 11.787 1.00 30.59 C ATOM 1938 H LEU A 928 1.622 -0.662 12.747 1.00 0.00 H ATOM 1939 N ASP A 929 0.907 -0.158 15.991 1.00 20.27 N ATOM 1940 CA ASP A 929 0.875 -0.318 17.440 1.00 18.58 C ATOM 1941 C ASP A 929 2.127 0.255 18.105 1.00 20.69 C ATOM 1942 O ASP A 929 2.025 0.866 19.162 1.00 20.14 O ATOM 1943 CB ASP A 929 0.673 -1.810 17.830 1.00 19.51 C ATOM 1944 CG ASP A 929 -0.768 -2.296 17.772 1.00 23.61 C ATOM 1945 OD1 ASP A 929 -1.656 -1.488 17.431 1.00 23.79 O ATOM 1946 OD2 ASP A 929 -1.004 -3.499 18.049 1.00 23.69 O ATOM 1947 H ASP A 929 0.872 -1.005 15.388 1.00 0.00 H ATOM 1948 N SER A 930 3.291 0.073 17.481 1.00 18.89 N ATOM 1949 CA SER A 930 4.568 0.530 18.022 1.00 20.13 C ATOM 1950 C SER A 930 4.678 2.077 18.045 1.00 24.00 C ATOM 1951 O SER A 930 5.513 2.609 18.766 1.00 23.10 O ATOM 1952 CB SER A 930 5.731 -0.123 17.287 1.00 23.33 C ATOM 1953 OG SER A 930 6.000 0.537 16.065 1.00 27.21 O ATOM 1954 HG SER A 930 5.198 0.497 15.486 1.00 0.00 H ATOM 1955 H SER A 930 3.289 -0.418 16.564 1.00 0.00 H ATOM 1956 N MET A 931 3.811 2.785 17.287 1.00 21.07 N ATOM 1957 CA MET A 931 3.780 4.255 17.296 1.00 19.94 C ATOM 1958 C MET A 931 3.334 4.763 18.675 1.00 24.38 C ATOM 1959 O MET A 931 3.822 5.790 19.102 1.00 22.04 O ATOM 1960 CB MET A 931 2.829 4.820 16.220 1.00 20.65 C ATOM 1961 CG MET A 931 3.364 4.717 14.757 1.00 22.01 C ATOM 1962 SD MET A 931 4.986 5.482 14.453 1.00 24.76 S ATOM 1963 CE MET A 931 4.591 7.227 14.708 1.00 22.95 C ATOM 1964 H MET A 931 3.143 2.272 16.677 1.00 0.00 H ATOM 1965 N HIS A 932 2.393 4.078 19.346 1.00 22.37 N ATOM 1966 CA HIS A 932 1.919 4.528 20.670 1.00 22.26 C ATOM 1967 C HIS A 932 3.056 4.736 21.701 1.00 24.45 C ATOM 1968 O HIS A 932 3.072 5.763 22.381 1.00 22.18 O ATOM 1969 CB HIS A 932 0.830 3.593 21.224 1.00 22.79 C ATOM 1970 CG HIS A 932 -0.508 3.721 20.559 1.00 26.81 C ATOM 1971 ND1 HIS A 932 -1.173 4.943 20.489 1.00 28.94 N ATOM 1972 CD2 HIS A 932 -1.315 2.759 20.049 1.00 28.88 C ATOM 1973 CE1 HIS A 932 -2.355 4.682 19.947 1.00 29.14 C ATOM 1974 NE2 HIS A 932 -2.486 3.386 19.661 1.00 29.05 N ATOM 1975 H HIS A 932 1.991 3.216 18.926 1.00 0.00 H ATOM 1976 N ASP A 933 3.978 3.773 21.847 1.00 23.17 N ATOM 1977 CA ASP A 933 5.076 3.926 22.835 1.00 23.36 C ATOM 1978 C ASP A 933 6.063 5.036 22.476 1.00 24.86 C ATOM 1979 O ASP A 933 6.486 5.791 23.355 1.00 24.28 O ATOM 1980 CB ASP A 933 5.812 2.603 23.074 1.00 27.00 C ATOM 1981 CG ASP A 933 5.028 1.562 23.865 1.00 40.30 C ATOM 1982 OD1 ASP A 933 4.003 1.928 24.489 1.00 40.96 O ATOM 1983 OD2 ASP A 933 5.449 0.390 23.876 1.00 51.18 O ATOM 1984 H ASP A 933 3.924 2.913 21.264 1.00 0.00 H ATOM 1985 N LEU A 934 6.410 5.157 21.180 1.00 21.36 N ATOM 1986 CA LEU A 934 7.290 6.225 20.710 1.00 22.00 C ATOM 1987 C LEU A 934 6.612 7.591 20.976 1.00 21.72 C ATOM 1988 O LEU A 934 7.240 8.500 21.503 1.00 19.00 O ATOM 1989 CB LEU A 934 7.542 6.065 19.194 1.00 23.51 C ATOM 1990 CG LEU A 934 8.082 7.321 18.494 1.00 31.54 C ATOM 1991 CD1 LEU A 934 9.584 7.524 18.747 1.00 32.96 C ATOM 1992 CD2 LEU A 934 7.701 7.348 17.036 1.00 37.14 C ATOM 1993 H LEU A 934 6.040 4.469 20.493 1.00 0.00 H ATOM 1994 N VAL A 935 5.329 7.718 20.594 1.00 20.13 N ATOM 1995 CA VAL A 935 4.576 8.976 20.789 1.00 19.22 C ATOM 1996 C VAL A 935 4.451 9.326 22.287 1.00 22.55 C ATOM 1997 O VAL A 935 4.559 10.500 22.630 1.00 21.98 O ATOM 1998 CB VAL A 935 3.240 8.919 20.041 1.00 21.41 C ATOM 1999 CG1 VAL A 935 2.298 10.065 20.450 1.00 21.56 C ATOM 2000 CG2 VAL A 935 3.499 8.902 18.534 1.00 20.84 C ATOM 2001 H VAL A 935 4.852 6.908 20.148 1.00 0.00 H ATOM 2002 N SER A 936 4.281 8.312 23.166 1.00 20.68 N ATOM 2003 CA SER A 936 4.213 8.527 24.624 1.00 20.89 C ATOM 2004 C SER A 936 5.484 9.254 25.111 1.00 24.40 C ATOM 2005 O SER A 936 5.402 10.194 25.904 1.00 23.01 O ATOM 2006 CB SER A 936 4.080 7.196 25.359 1.00 24.78 C ATOM 2007 OG SER A 936 4.028 7.419 26.758 1.00 31.50 O ATOM 2008 HG SER A 936 4.859 7.872 27.050 1.00 0.00 H ATOM 2009 H SER A 936 4.195 7.343 22.800 1.00 0.00 H ATOM 2010 N ASP A 937 6.650 8.828 24.602 1.00 21.48 N ATOM 2011 CA ASP A 937 7.951 9.408 24.960 1.00 21.63 C ATOM 2012 C ASP A 937 8.092 10.820 24.392 1.00 22.40 C ATOM 2013 O ASP A 937 8.605 11.699 25.081 1.00 20.30 O ATOM 2014 CB ASP A 937 9.079 8.510 24.456 1.00 23.52 C ATOM 2015 CG ASP A 937 9.206 7.213 25.227 1.00 36.88 C ATOM 2016 OD1 ASP A 937 8.621 7.116 26.332 1.00 36.80 O ATOM 2017 OD2 ASP A 937 9.871 6.289 24.718 1.00 40.17 O ATOM 2018 H ASP A 937 6.632 8.045 23.917 1.00 0.00 H ATOM 2019 N LEU A 938 7.625 11.042 23.145 1.00 20.15 N ATOM 2020 CA LEU A 938 7.679 12.377 22.511 1.00 19.39 C ATOM 2021 C LEU A 938 6.801 13.360 23.287 1.00 21.23 C ATOM 2022 O LEU A 938 7.220 14.486 23.560 1.00 19.24 O ATOM 2023 CB LEU A 938 7.224 12.307 21.035 1.00 20.03 C ATOM 2024 CG LEU A 938 8.190 11.552 20.114 1.00 24.39 C ATOM 2025 CD1 LEU A 938 7.545 11.242 18.777 1.00 25.02 C ATOM 2026 CD2 LEU A 938 9.522 12.301 19.972 1.00 26.44 C ATOM 2027 H LEU A 938 7.214 10.249 22.613 1.00 0.00 H ATOM 2028 N LEU A 939 5.596 12.922 23.650 1.00 18.84 N ATOM 2029 CA LEU A 939 4.652 13.743 24.422 1.00 18.55 C ATOM 2030 C LEU A 939 5.203 14.055 25.811 1.00 22.98 C ATOM 2031 O LEU A 939 5.054 15.183 26.261 1.00 21.82 O ATOM 2032 CB LEU A 939 3.267 13.102 24.508 1.00 18.06 C ATOM 2033 CG LEU A 939 2.419 13.107 23.194 1.00 22.10 C ATOM 2034 CD1 LEU A 939 1.176 12.256 23.359 1.00 22.07 C ATOM 2035 CD2 LEU A 939 2.029 14.542 22.768 1.00 20.80 C ATOM 2036 H LEU A 939 5.312 11.960 23.376 1.00 0.00 H ATOM 2037 N GLU A 940 5.896 13.093 26.466 1.00 20.97 N ATOM 2038 CA GLU A 940 6.501 13.371 27.789 1.00 21.05 C ATOM 2039 C GLU A 940 7.505 14.543 27.680 1.00 23.12 C ATOM 2040 O GLU A 940 7.499 15.472 28.513 1.00 21.08 O ATOM 2041 CB GLU A 940 7.183 12.127 28.358 1.00 23.32 C ATOM 2042 CG GLU A 940 7.661 12.308 29.795 1.00 38.94 C ATOM 2043 CD GLU A 940 8.526 11.192 30.352 1.00 65.55 C ATOM 2044 OE1 GLU A 940 8.579 10.106 29.732 1.00 59.17 O ATOM 2045 OE2 GLU A 940 9.155 11.407 31.415 1.00 66.48 O ATOM 2046 H GLU A 940 6.004 12.152 26.037 1.00 0.00 H ATOM 2047 N PHE A 941 8.330 14.517 26.628 1.00 20.49 N ATOM 2048 CA PHE A 941 9.311 15.559 26.390 1.00 21.07 C ATOM 2049 C PHE A 941 8.582 16.869 26.075 1.00 25.51 C ATOM 2050 O PHE A 941 8.937 17.912 26.627 1.00 24.07 O ATOM 2051 CB PHE A 941 10.240 15.173 25.226 1.00 22.69 C ATOM 2052 CG PHE A 941 11.319 16.199 24.972 1.00 24.27 C ATOM 2053 CD1 PHE A 941 12.515 16.168 25.688 1.00 28.78 C ATOM 2054 CD2 PHE A 941 11.123 17.227 24.053 1.00 26.00 C ATOM 2055 CE1 PHE A 941 13.501 17.143 25.482 1.00 29.81 C ATOM 2056 CE2 PHE A 941 12.101 18.207 23.858 1.00 29.70 C ATOM 2057 CZ PHE A 941 13.286 18.155 24.570 1.00 28.39 C ATOM 2058 H PHE A 941 8.266 13.724 25.958 1.00 0.00 H ATOM 2059 N CYS A 942 7.595 16.814 25.152 1.00 21.16 N ATOM 2060 CA CYS A 942 6.839 18.002 24.733 1.00 21.87 C ATOM 2061 C CYS A 942 6.212 18.714 25.943 1.00 24.20 C ATOM 2062 O CYS A 942 6.370 19.933 26.110 1.00 23.60 O ATOM 2063 CB CYS A 942 5.773 17.598 23.717 1.00 23.03 C ATOM 2064 SG CYS A 942 4.692 18.954 23.207 1.00 26.74 S ATOM 2065 H CYS A 942 7.362 15.896 24.723 1.00 0.00 H ATOM 2066 N PHE A 943 5.493 17.953 26.765 1.00 18.78 N ATOM 2067 CA PHE A 943 4.786 18.476 27.944 1.00 18.59 C ATOM 2068 C PHE A 943 5.732 19.143 28.928 1.00 24.91 C ATOM 2069 O PHE A 943 5.388 20.164 29.523 1.00 23.48 O ATOM 2070 CB PHE A 943 3.965 17.361 28.634 1.00 19.67 C ATOM 2071 CG PHE A 943 2.829 16.751 27.830 1.00 20.47 C ATOM 2072 CD1 PHE A 943 2.315 17.399 26.705 1.00 21.78 C ATOM 2073 CD2 PHE A 943 2.250 15.549 28.218 1.00 21.46 C ATOM 2074 CE1 PHE A 943 1.274 16.831 25.967 1.00 23.47 C ATOM 2075 CE2 PHE A 943 1.197 14.993 27.483 1.00 24.24 C ATOM 2076 CZ PHE A 943 0.720 15.635 26.361 1.00 22.60 C ATOM 2077 H PHE A 943 5.428 16.935 26.563 1.00 0.00 H ATOM 2078 N TYR A 944 6.910 18.550 29.115 1.00 24.66 N ATOM 2079 CA TYR A 944 7.940 19.072 30.002 1.00 25.78 C ATOM 2080 C TYR A 944 8.409 20.430 29.479 1.00 26.45 C ATOM 2081 O TYR A 944 8.540 21.384 30.249 1.00 24.81 O ATOM 2082 CB TYR A 944 9.138 18.085 30.060 1.00 29.51 C ATOM 2083 CG TYR A 944 10.304 18.644 30.851 1.00 36.01 C ATOM 2084 CD1 TYR A 944 10.343 18.540 32.239 1.00 39.75 C ATOM 2085 CD2 TYR A 944 11.328 19.344 30.221 1.00 37.75 C ATOM 2086 CE1 TYR A 944 11.386 19.101 32.978 1.00 43.61 C ATOM 2087 CE2 TYR A 944 12.368 19.920 30.950 1.00 39.71 C ATOM 2088 CZ TYR A 944 12.397 19.789 32.328 1.00 50.41 C ATOM 2089 OH TYR A 944 13.420 20.349 33.053 1.00 55.26 O ATOM 2090 HH TYR A 944 13.283 20.160 34.015 1.00 0.00 H ATOM 2091 H TYR A 944 7.104 17.667 28.600 1.00 0.00 H ATOM 2092 N THR A 945 8.685 20.511 28.175 1.00 23.17 N ATOM 2093 CA THR A 945 9.155 21.772 27.590 1.00 23.01 C ATOM 2094 C THR A 945 8.076 22.821 27.609 1.00 27.19 C ATOM 2095 O THR A 945 8.391 23.999 27.728 1.00 27.37 O ATOM 2096 CB THR A 945 9.765 21.596 26.189 1.00 30.71 C ATOM 2097 OG1 THR A 945 8.723 21.281 25.281 1.00 36.02 O ATOM 2098 CG2 THR A 945 10.854 20.525 26.149 1.00 26.15 C ATOM 2099 HG1 THR A 945 9.101 21.165 24.374 1.00 0.00 H ATOM 2100 H THR A 945 8.566 19.674 27.569 1.00 0.00 H ATOM 2101 N PHE A 946 6.811 22.409 27.463 1.00 23.21 N ATOM 2102 CA PHE A 946 5.666 23.325 27.512 1.00 22.03 C ATOM 2103 C PHE A 946 5.519 23.943 28.918 1.00 28.21 C ATOM 2104 O PHE A 946 5.319 25.152 29.059 1.00 26.94 O ATOM 2105 CB PHE A 946 4.387 22.575 27.129 1.00 22.73 C ATOM 2106 CG PHE A 946 3.223 23.497 26.857 1.00 22.96 C ATOM 2107 CD1 PHE A 946 3.169 24.248 25.684 1.00 24.45 C ATOM 2108 CD2 PHE A 946 2.125 23.527 27.713 1.00 24.02 C ATOM 2109 CE1 PHE A 946 2.069 25.081 25.414 1.00 24.90 C ATOM 2110 CE2 PHE A 946 1.001 24.318 27.413 1.00 26.43 C ATOM 2111 CZ PHE A 946 0.996 25.107 26.281 1.00 25.19 C ATOM 2112 H PHE A 946 6.632 21.396 27.308 1.00 0.00 H ATOM 2113 N ARG A 947 5.629 23.101 29.947 1.00 27.67 N ATOM 2114 CA ARG A 947 5.536 23.486 31.358 1.00 30.68 C ATOM 2115 C ARG A 947 6.676 24.379 31.827 1.00 41.91 C ATOM 2116 O ARG A 947 6.531 25.005 32.876 1.00 43.59 O ATOM 2117 CB ARG A 947 5.554 22.235 32.230 1.00 32.00 C ATOM 2118 CG ARG A 947 4.205 21.663 32.528 1.00 35.21 C ATOM 2119 CD ARG A 947 4.376 20.857 33.795 1.00 45.78 C ATOM 2120 NE ARG A 947 3.101 20.359 34.288 1.00 53.36 N ATOM 2121 CZ ARG A 947 2.598 19.174 33.971 1.00 64.56 C ATOM 2122 NH1 ARG A 947 1.419 18.804 34.441 1.00 49.01 N ATOM 2123 NH2 ARG A 947 3.271 18.350 33.171 1.00 47.16 N ATOM 2124 HE ARG A 947 2.552 20.969 34.927 1.00 0.00 H ATOM 2125 HH12 ARG A 947 1.028 17.874 34.190 1.00 0.00 H ATOM 2126 HH11 ARG A 947 0.883 19.443 35.062 1.00 0.00 H ATOM 2127 HH22 ARG A 947 2.871 17.422 32.926 1.00 0.00 H ATOM 2128 HH21 ARG A 947 4.196 18.635 32.791 1.00 0.00 H ATOM 2129 H ARG A 947 5.793 22.097 29.732 1.00 0.00 H ATOM 2130 N GLU A 948 7.821 24.400 31.103 1.00 42.67 N ATOM 2131 CA GLU A 948 9.018 25.195 31.450 1.00 44.57 C ATOM 2132 C GLU A 948 9.583 25.975 30.215 1.00 52.17 C ATOM 2133 O GLU A 948 10.782 26.283 30.186 1.00 52.91 O ATOM 2134 CB GLU A 948 10.127 24.260 32.015 1.00 46.40 C ATOM 2135 CG GLU A 948 9.676 23.046 32.822 1.00 58.35 C ATOM 2136 CD GLU A 948 9.711 23.112 34.339 1.00 91.76 C ATOM 2137 OE1 GLU A 948 10.365 24.024 34.896 1.00 93.48 O ATOM 2138 OE2 GLU A 948 9.117 22.208 34.973 1.00 88.96 O ATOM 2139 H GLU A 948 7.861 23.816 30.243 1.00 0.00 H ATOM 2140 N SER A 949 8.724 26.304 29.218 1.00 49.86 N ATOM 2141 CA SER A 949 9.101 26.925 27.938 1.00 50.35 C ATOM 2142 C SER A 949 9.951 28.188 28.070 1.00 58.10 C ATOM 2143 O SER A 949 11.003 28.242 27.434 1.00 57.61 O ATOM 2144 CB SER A 949 7.882 27.158 27.047 1.00 53.22 C ATOM 2145 OG SER A 949 7.438 28.501 26.940 1.00 60.46 O ATOM 2146 HG SER A 949 8.165 29.059 26.564 1.00 0.00 H ATOM 2147 H SER A 949 7.716 26.101 29.371 1.00 0.00 H ATOM 2148 N HIS A 950 9.536 29.167 28.907 1.00 57.87 N ATOM 2149 CA HIS A 950 10.289 30.414 29.113 1.00 59.16 C ATOM 2150 C HIS A 950 11.651 30.173 29.817 1.00 63.72 C ATOM 2151 O HIS A 950 12.627 30.849 29.498 1.00 64.37 O ATOM 2152 CB HIS A 950 9.428 31.477 29.835 1.00 60.43 C ATOM 2153 CG HIS A 950 9.847 31.730 31.247 1.00 64.42 C ATOM 2154 ND1 HIS A 950 10.669 32.789 31.574 1.00 66.37 N ATOM 2155 CD2 HIS A 950 9.624 30.989 32.358 1.00 66.73 C ATOM 2156 CE1 HIS A 950 10.890 32.679 32.874 1.00 66.06 C ATOM 2157 NE2 HIS A 950 10.282 31.614 33.390 1.00 66.42 N ATOM 2158 H HIS A 950 8.646 29.032 29.427 1.00 0.00 H ATOM 2159 N ALA A 951 11.702 29.214 30.766 1.00 59.80 N ATOM 2160 CA ALA A 951 12.909 28.847 31.515 1.00 59.85 C ATOM 2161 C ALA A 951 13.937 28.202 30.574 1.00 63.70 C ATOM 2162 O ALA A 951 15.141 28.428 30.732 1.00 63.80 O ATOM 2163 CB ALA A 951 12.558 27.890 32.653 1.00 60.53 C ATOM 2164 H ALA A 951 10.824 28.699 30.981 1.00 0.00 H ATOM 2165 N LEU A 952 13.445 27.438 29.569 1.00 58.76 N ATOM 2166 CA LEU A 952 14.260 26.764 28.556 1.00 57.46 C ATOM 2167 C LEU A 952 14.461 27.620 27.291 1.00 57.08 C ATOM 2168 O LEU A 952 15.251 27.218 26.432 1.00 58.21 O ATOM 2169 CB LEU A 952 13.636 25.400 28.166 1.00 57.76 C ATOM 2170 CG LEU A 952 13.445 24.341 29.261 1.00 62.88 C ATOM 2171 CD1 LEU A 952 12.486 23.263 28.798 1.00 62.87 C ATOM 2172 CD2 LEU A 952 14.778 23.709 29.681 1.00 65.31 C ATOM 2173 H LEU A 952 12.413 27.322 29.513 1.00 0.00 H ATOM 2174 N LYS A 953 13.755 28.783 27.171 1.00 48.25 N ATOM 2175 CA LYS A 953 13.788 29.725 26.018 1.00 46.03 C ATOM 2176 C LYS A 953 13.143 29.132 24.725 1.00 42.71 C ATOM 2177 O LYS A 953 13.506 29.506 23.602 1.00 42.85 O ATOM 2178 CB LYS A 953 15.209 30.285 25.746 1.00 48.93 C ATOM 2179 CG LYS A 953 15.700 31.222 26.845 1.00 67.63 C ATOM 2180 CD LYS A 953 16.600 32.324 26.313 1.00 77.31 C ATOM 2181 CE LYS A 953 16.822 33.400 27.352 1.00 86.19 C ATOM 2182 NZ LYS A 953 17.538 34.575 26.793 1.00 93.00 N ATOM 2183 HZ1 LYS A 953 18.466 34.275 26.433 1.00 0.00 H ATOM 2184 HZ2 LYS A 953 16.979 34.983 26.017 1.00 0.00 H ATOM 2185 HZ3 LYS A 953 17.669 35.287 27.539 1.00 0.00 H ATOM 2186 H LYS A 953 13.132 29.036 27.964 1.00 0.00 H ATOM 2187 N VAL A 954 12.151 28.248 24.906 1.00 32.82 N ATOM 2188 CA VAL A 954 11.468 27.542 23.818 1.00 29.80 C ATOM 2189 C VAL A 954 10.129 28.203 23.484 1.00 31.12 C ATOM 2190 O VAL A 954 9.282 28.355 24.356 1.00 32.27 O ATOM 2191 CB VAL A 954 11.328 26.039 24.141 1.00 32.19 C ATOM 2192 CG1 VAL A 954 10.632 25.297 23.004 1.00 30.67 C ATOM 2193 CG2 VAL A 954 12.701 25.410 24.429 1.00 32.18 C ATOM 2194 H VAL A 954 11.847 28.051 25.881 1.00 0.00 H ATOM 2195 N GLU A 955 9.931 28.557 22.221 1.00 23.23 N ATOM 2196 CA GLU A 955 8.706 29.217 21.800 1.00 22.93 C ATOM 2197 C GLU A 955 7.702 28.212 21.212 1.00 25.07 C ATOM 2198 O GLU A 955 8.116 27.268 20.535 1.00 24.85 O ATOM 2199 CB GLU A 955 9.017 30.322 20.785 1.00 24.86 C ATOM 2200 CG GLU A 955 10.035 31.339 21.290 1.00 36.76 C ATOM 2201 CD GLU A 955 10.377 32.429 20.297 1.00 67.92 C ATOM 2202 OE1 GLU A 955 11.129 32.142 19.337 1.00 69.00 O ATOM 2203 OE2 GLU A 955 9.896 33.571 20.482 1.00 65.58 O ATOM 2204 H GLU A 955 10.669 28.358 21.516 1.00 0.00 H ATOM 2205 N PHE A 956 6.400 28.429 21.479 1.00 19.95 N ATOM 2206 CA PHE A 956 5.295 27.604 20.966 1.00 20.29 C ATOM 2207 C PHE A 956 4.322 28.460 20.187 1.00 23.08 C ATOM 2208 O PHE A 956 3.835 29.464 20.731 1.00 22.39 O ATOM 2209 CB PHE A 956 4.549 26.855 22.089 1.00 21.99 C ATOM 2210 CG PHE A 956 5.305 25.687 22.683 1.00 23.26 C ATOM 2211 CD1 PHE A 956 6.209 25.880 23.728 1.00 25.46 C ATOM 2212 CD2 PHE A 956 5.107 24.396 22.210 1.00 24.47 C ATOM 2213 CE1 PHE A 956 6.917 24.792 24.275 1.00 25.20 C ATOM 2214 CE2 PHE A 956 5.812 23.310 22.759 1.00 26.58 C ATOM 2215 CZ PHE A 956 6.717 23.519 23.786 1.00 24.08 C ATOM 2216 H PHE A 956 6.159 29.235 22.090 1.00 0.00 H ATOM 2217 N PRO A 957 4.009 28.080 18.921 1.00 18.90 N ATOM 2218 CA PRO A 957 3.000 28.828 18.164 1.00 19.30 C ATOM 2219 C PRO A 957 1.609 28.610 18.764 1.00 20.26 C ATOM 2220 O PRO A 957 1.397 27.628 19.501 1.00 17.64 O ATOM 2221 CB PRO A 957 3.119 28.264 16.742 1.00 21.08 C ATOM 2222 CG PRO A 957 3.675 26.924 16.900 1.00 25.32 C ATOM 2223 CD PRO A 957 4.491 26.900 18.164 1.00 20.67 C ATOM 2224 N ALA A 958 0.677 29.530 18.479 1.00 19.03 N ATOM 2225 CA ALA A 958 -0.688 29.484 19.031 1.00 19.20 C ATOM 2226 C ALA A 958 -1.387 28.134 18.854 1.00 20.41 C ATOM 2227 O ALA A 958 -2.050 27.693 19.772 1.00 18.76 O ATOM 2228 CB ALA A 958 -1.543 30.609 18.446 1.00 19.87 C ATOM 2229 H ALA A 958 0.929 30.311 17.840 1.00 0.00 H ATOM 2230 N MET A 959 -1.252 27.498 17.668 1.00 19.32 N ATOM 2231 CA MET A 959 -1.893 26.208 17.364 1.00 20.21 C ATOM 2232 C MET A 959 -1.447 25.163 18.385 1.00 21.02 C ATOM 2233 O MET A 959 -2.277 24.401 18.867 1.00 21.04 O ATOM 2234 CB MET A 959 -1.498 25.727 15.941 1.00 23.92 C ATOM 2235 CG MET A 959 -2.312 26.351 14.837 1.00 30.19 C ATOM 2236 SD MET A 959 -4.023 25.739 14.701 1.00 36.55 S ATOM 2237 CE MET A 959 -3.761 24.023 14.312 1.00 33.60 C ATOM 2238 H MET A 959 -0.665 27.943 16.933 1.00 0.00 H ATOM 2239 N LEU A 960 -0.136 25.122 18.697 1.00 18.09 N ATOM 2240 CA LEU A 960 0.415 24.166 19.667 1.00 18.76 C ATOM 2241 C LEU A 960 0.009 24.501 21.072 1.00 19.70 C ATOM 2242 O LEU A 960 -0.310 23.593 21.845 1.00 17.68 O ATOM 2243 CB LEU A 960 1.945 24.026 19.600 1.00 18.96 C ATOM 2244 CG LEU A 960 2.622 23.376 18.382 1.00 23.68 C ATOM 2245 CD1 LEU A 960 3.916 22.643 18.806 1.00 22.53 C ATOM 2246 CD2 LEU A 960 1.683 22.500 17.553 1.00 26.11 C ATOM 2247 H LEU A 960 0.510 25.793 18.233 1.00 0.00 H ATOM 2248 N VAL A 961 0.008 25.807 21.431 1.00 16.31 N ATOM 2249 CA VAL A 961 -0.437 26.179 22.783 1.00 16.50 C ATOM 2250 C VAL A 961 -1.845 25.630 23.028 1.00 21.15 C ATOM 2251 O VAL A 961 -2.107 25.066 24.090 1.00 21.04 O ATOM 2252 CB VAL A 961 -0.374 27.719 23.022 1.00 20.46 C ATOM 2253 CG1 VAL A 961 -1.010 28.088 24.373 1.00 20.64 C ATOM 2254 CG2 VAL A 961 1.074 28.197 22.954 1.00 20.33 C ATOM 2255 H VAL A 961 0.318 26.538 20.759 1.00 0.00 H ATOM 2256 N GLU A 962 -2.744 25.799 22.045 1.00 18.21 N ATOM 2257 CA GLU A 962 -4.125 25.388 22.181 1.00 19.10 C ATOM 2258 C GLU A 962 -4.222 23.872 22.294 1.00 23.10 C ATOM 2259 O GLU A 962 -4.893 23.376 23.201 1.00 24.27 O ATOM 2260 CB GLU A 962 -4.923 25.893 20.982 1.00 21.12 C ATOM 2261 CG GLU A 962 -6.346 25.388 20.960 1.00 33.67 C ATOM 2262 CD GLU A 962 -7.153 26.017 19.855 1.00 50.04 C ATOM 2263 OE1 GLU A 962 -7.275 27.265 19.846 1.00 42.38 O ATOM 2264 OE2 GLU A 962 -7.668 25.260 19.002 1.00 38.97 O ATOM 2265 H GLU A 962 -2.437 26.241 21.155 1.00 0.00 H ATOM 2266 N ILE A 963 -3.530 23.142 21.406 1.00 18.12 N ATOM 2267 CA ILE A 963 -3.580 21.669 21.423 1.00 18.07 C ATOM 2268 C ILE A 963 -3.024 21.116 22.718 1.00 20.37 C ATOM 2269 O ILE A 963 -3.705 20.316 23.366 1.00 20.23 O ATOM 2270 CB ILE A 963 -2.888 21.027 20.199 1.00 20.72 C ATOM 2271 CG1 ILE A 963 -3.688 21.297 18.897 1.00 21.70 C ATOM 2272 CG2 ILE A 963 -2.710 19.503 20.419 1.00 21.91 C ATOM 2273 CD1 ILE A 963 -2.846 21.233 17.672 1.00 26.40 C ATOM 2274 H ILE A 963 -2.947 23.625 20.692 1.00 0.00 H ATOM 2275 N ILE A 964 -1.796 21.528 23.085 1.00 19.22 N ATOM 2276 CA ILE A 964 -1.121 21.024 24.295 1.00 18.69 C ATOM 2277 C ILE A 964 -1.877 21.383 25.575 1.00 21.44 C ATOM 2278 O ILE A 964 -1.958 20.539 26.461 1.00 20.20 O ATOM 2279 CB ILE A 964 0.385 21.417 24.386 1.00 21.49 C ATOM 2280 CG1 ILE A 964 1.187 20.925 23.120 1.00 20.76 C ATOM 2281 CG2 ILE A 964 1.014 20.849 25.671 1.00 22.13 C ATOM 2282 CD1 ILE A 964 2.414 21.768 22.790 1.00 22.26 C ATOM 2283 H ILE A 964 -1.305 22.228 22.493 1.00 0.00 H ATOM 2284 N SER A 965 -2.401 22.616 25.689 1.00 19.90 N ATOM 2285 CA SER A 965 -3.181 23.048 26.882 1.00 20.73 C ATOM 2286 C SER A 965 -4.395 22.136 27.108 1.00 24.48 C ATOM 2287 O SER A 965 -4.743 21.871 28.244 1.00 22.94 O ATOM 2288 CB SER A 965 -3.666 24.488 26.736 1.00 22.45 C ATOM 2289 OG SER A 965 -2.544 25.354 26.717 1.00 26.84 O ATOM 2290 HG SER A 965 -1.960 25.119 25.953 1.00 0.00 H ATOM 2291 H SER A 965 -2.256 23.294 24.914 1.00 0.00 H ATOM 2292 N ASP A 966 -5.050 21.686 26.030 1.00 22.65 N ATOM 2293 CA ASP A 966 -6.181 20.768 26.163 1.00 23.78 C ATOM 2294 C ASP A 966 -5.671 19.329 26.450 1.00 27.21 C ATOM 2295 O ASP A 966 -6.170 18.654 27.356 1.00 26.05 O ATOM 2296 CB ASP A 966 -7.060 20.777 24.879 1.00 27.02 C ATOM 2297 CG ASP A 966 -8.170 21.824 24.819 1.00 53.66 C ATOM 2298 OD1 ASP A 966 -8.849 22.044 25.860 1.00 56.89 O ATOM 2299 OD2 ASP A 966 -8.404 22.384 23.715 1.00 63.23 O ATOM 2300 H ASP A 966 -4.750 21.994 25.083 1.00 0.00 H ATOM 2301 N GLN A 967 -4.673 18.878 25.691 1.00 24.00 N ATOM 2302 CA GLN A 967 -4.177 17.495 25.727 1.00 23.77 C ATOM 2303 C GLN A 967 -3.398 17.106 26.976 1.00 28.72 C ATOM 2304 O GLN A 967 -3.579 15.985 27.470 1.00 29.50 O ATOM 2305 CB GLN A 967 -3.334 17.217 24.469 1.00 24.03 C ATOM 2306 CG GLN A 967 -2.963 15.763 24.200 1.00 31.93 C ATOM 2307 CD GLN A 967 -1.694 15.684 23.373 1.00 37.33 C ATOM 2308 OE1 GLN A 967 -0.941 16.654 23.235 1.00 33.39 O ATOM 2309 NE2 GLN A 967 -1.430 14.535 22.802 1.00 21.85 N ATOM 2310 HE22 GLN A 967 -2.076 13.730 22.930 1.00 0.00 H ATOM 2311 HE21 GLN A 967 -0.574 14.428 22.221 1.00 0.00 H ATOM 2312 H GLN A 967 -4.218 19.544 25.034 1.00 0.00 H ATOM 2313 N LEU A 968 -2.518 17.981 27.455 1.00 22.91 N ATOM 2314 CA LEU A 968 -1.637 17.702 28.589 1.00 23.08 C ATOM 2315 C LEU A 968 -2.422 17.214 29.840 1.00 29.15 C ATOM 2316 O LEU A 968 -2.126 16.102 30.292 1.00 26.06 O ATOM 2317 CB LEU A 968 -0.702 18.891 28.882 1.00 22.67 C ATOM 2318 CG LEU A 968 0.449 18.721 29.882 1.00 26.37 C ATOM 2319 CD1 LEU A 968 1.466 19.855 29.715 1.00 25.13 C ATOM 2320 CD2 LEU A 968 -0.065 18.747 31.340 1.00 27.14 C ATOM 2321 H LEU A 968 -2.453 18.913 26.999 1.00 0.00 H ATOM 2322 N PRO A 969 -3.421 17.951 30.392 1.00 29.40 N ATOM 2323 CA PRO A 969 -4.138 17.408 31.569 1.00 29.94 C ATOM 2324 C PRO A 969 -4.938 16.139 31.268 1.00 33.00 C ATOM 2325 O PRO A 969 -5.069 15.306 32.151 1.00 32.02 O ATOM 2326 CB PRO A 969 -5.010 18.569 32.046 1.00 31.70 C ATOM 2327 CG PRO A 969 -5.125 19.487 30.897 1.00 36.18 C ATOM 2328 CD PRO A 969 -3.913 19.299 30.032 1.00 31.09 C ATOM 2329 N LYS A 970 -5.393 15.942 30.010 1.00 28.11 N ATOM 2330 CA LYS A 970 -6.131 14.720 29.627 1.00 26.99 C ATOM 2331 C LYS A 970 -5.220 13.516 29.600 1.00 29.03 C ATOM 2332 O LYS A 970 -5.566 12.475 30.167 1.00 30.36 O ATOM 2333 CB LYS A 970 -6.865 14.901 28.286 1.00 28.91 C ATOM 2334 CG LYS A 970 -7.965 15.939 28.402 1.00 30.37 C ATOM 2335 CD LYS A 970 -8.780 16.087 27.146 1.00 45.01 C ATOM 2336 CE LYS A 970 -9.955 17.004 27.408 1.00 56.49 C ATOM 2337 NZ LYS A 970 -10.501 17.588 26.157 1.00 64.02 N ATOM 2338 HZ1 LYS A 970 -9.759 18.140 25.681 1.00 0.00 H ATOM 2339 HZ2 LYS A 970 -10.821 16.823 25.530 1.00 0.00 H ATOM 2340 HZ3 LYS A 970 -11.303 18.208 26.387 1.00 0.00 H ATOM 2341 H LYS A 970 -5.218 16.672 29.290 1.00 0.00 H ATOM 2342 N VAL A 971 -4.038 13.661 28.985 1.00 24.27 N ATOM 2343 CA VAL A 971 -3.050 12.590 28.898 1.00 24.90 C ATOM 2344 C VAL A 971 -2.489 12.242 30.295 1.00 31.61 C ATOM 2345 O VAL A 971 -2.394 11.057 30.630 1.00 31.24 O ATOM 2346 CB VAL A 971 -1.936 12.885 27.853 1.00 28.47 C ATOM 2347 CG1 VAL A 971 -0.794 11.872 27.936 1.00 28.10 C ATOM 2348 CG2 VAL A 971 -2.514 12.923 26.433 1.00 27.76 C ATOM 2349 H VAL A 971 -3.814 14.579 28.550 1.00 0.00 H ATOM 2350 N GLU A 972 -2.118 13.259 31.089 1.00 28.16 N ATOM 2351 CA GLU A 972 -1.514 13.011 32.402 1.00 28.96 C ATOM 2352 C GLU A 972 -2.503 12.459 33.432 1.00 34.60 C ATOM 2353 O GLU A 972 -2.090 11.756 34.353 1.00 35.83 O ATOM 2354 CB GLU A 972 -0.777 14.244 32.928 1.00 29.85 C ATOM 2355 CG GLU A 972 0.434 14.616 32.085 1.00 34.66 C ATOM 2356 CD GLU A 972 1.336 15.681 32.676 1.00 50.05 C ATOM 2357 OE1 GLU A 972 2.398 15.962 32.074 1.00 34.26 O ATOM 2358 OE2 GLU A 972 0.980 16.238 33.740 1.00 43.77 O ATOM 2359 H GLU A 972 -2.261 14.238 30.768 1.00 0.00 H ATOM 2360 N SER A 973 -3.798 12.720 33.261 1.00 31.39 N ATOM 2361 CA SER A 973 -4.803 12.187 34.182 1.00 32.71 C ATOM 2362 C SER A 973 -5.303 10.785 33.761 1.00 37.49 C ATOM 2363 O SER A 973 -6.179 10.236 34.424 1.00 37.43 O ATOM 2364 CB SER A 973 -5.979 13.152 34.306 1.00 36.50 C ATOM 2365 OG SER A 973 -6.650 13.259 33.063 1.00 46.93 O ATOM 2366 HG SER A 973 -6.021 13.597 32.378 1.00 0.00 H ATOM 2367 H SER A 973 -4.100 13.312 32.461 1.00 0.00 H ATOM 2368 N GLY A 974 -4.750 10.237 32.675 1.00 34.03 N ATOM 2369 CA GLY A 974 -5.130 8.925 32.154 1.00 33.56 C ATOM 2370 C GLY A 974 -6.456 8.890 31.411 1.00 37.11 C ATOM 2371 O GLY A 974 -7.042 7.816 31.245 1.00 36.38 O ATOM 2372 H GLY A 974 -4.011 10.771 32.175 1.00 0.00 H ATOM 2373 N ASN A 975 -6.943 10.049 30.933 1.00 33.40 N ATOM 2374 CA ASN A 975 -8.204 10.067 30.201 1.00 34.44 C ATOM 2375 C ASN A 975 -8.036 9.569 28.749 1.00 40.85 C ATOM 2376 O ASN A 975 -9.029 9.281 28.092 1.00 44.44 O ATOM 2377 CB ASN A 975 -8.912 11.429 30.284 1.00 34.24 C ATOM 2378 CG ASN A 975 -10.361 11.348 29.857 1.00 74.34 C ATOM 2379 OD1 ASN A 975 -10.717 11.663 28.714 1.00 67.93 O ATOM 2380 ND2 ASN A 975 -11.213 10.825 30.735 1.00 72.46 N ATOM 2381 HD22 ASN A 975 -10.886 10.570 31.689 1.00 0.00 H ATOM 2382 HD21 ASN A 975 -12.206 10.671 30.468 1.00 0.00 H ATOM 2383 H ASN A 975 -6.419 10.934 31.086 1.00 0.00 H ATOM 2384 N ALA A 976 -6.801 9.393 28.281 1.00 35.55 N ATOM 2385 CA ALA A 976 -6.545 8.912 26.932 1.00 34.84 C ATOM 2386 C ALA A 976 -6.604 7.392 26.865 1.00 38.09 C ATOM 2387 O ALA A 976 -6.248 6.680 27.824 1.00 38.05 O ATOM 2388 CB ALA A 976 -5.204 9.415 26.432 1.00 35.77 C ATOM 2389 H ALA A 976 -5.993 9.607 28.900 1.00 0.00 H ATOM 2390 N LYS A 977 -7.113 6.900 25.740 1.00 30.62 N ATOM 2391 CA LYS A 977 -7.210 5.481 25.496 1.00 28.28 C ATOM 2392 C LYS A 977 -6.593 5.145 24.135 1.00 29.42 C ATOM 2393 O LYS A 977 -7.255 5.326 23.102 1.00 26.88 O ATOM 2394 CB LYS A 977 -8.655 4.970 25.628 1.00 28.93 C ATOM 2395 CG LYS A 977 -8.772 3.458 25.469 1.00 31.67 C ATOM 2396 CD LYS A 977 -10.219 2.986 25.343 1.00 40.65 C ATOM 2397 CE LYS A 977 -10.257 1.501 25.086 1.00 55.42 C ATOM 2398 NZ LYS A 977 -11.624 0.933 25.237 1.00 74.08 N ATOM 2399 HZ1 LYS A 977 -11.962 1.100 26.206 1.00 0.00 H ATOM 2400 HZ2 LYS A 977 -12.266 1.393 24.560 1.00 0.00 H ATOM 2401 HZ3 LYS A 977 -11.596 -0.090 25.050 1.00 0.00 H ATOM 2402 H LYS A 977 -7.453 7.560 25.011 1.00 0.00 H ATOM 2403 N PRO A 978 -5.321 4.692 24.123 1.00 27.13 N ATOM 2404 CA PRO A 978 -4.726 4.229 22.861 1.00 26.09 C ATOM 2405 C PRO A 978 -5.384 2.926 22.399 1.00 27.66 C ATOM 2406 O PRO A 978 -5.615 1.989 23.185 1.00 25.94 O ATOM 2407 CB PRO A 978 -3.240 4.027 23.190 1.00 28.12 C ATOM 2408 CG PRO A 978 -3.164 3.882 24.645 1.00 34.30 C ATOM 2409 CD PRO A 978 -4.418 4.449 25.273 1.00 29.95 C ATOM 2410 N LEU A 979 -5.734 2.894 21.131 1.00 21.09 N ATOM 2411 CA LEU A 979 -6.358 1.726 20.507 1.00 20.55 C ATOM 2412 C LEU A 979 -5.268 0.916 19.848 1.00 27.14 C ATOM 2413 O LEU A 979 -4.536 1.431 19.001 1.00 28.14 O ATOM 2414 CB LEU A 979 -7.419 2.162 19.463 1.00 19.57 C ATOM 2415 CG LEU A 979 -8.608 2.990 19.978 1.00 22.94 C ATOM 2416 CD1 LEU A 979 -9.576 3.248 18.877 1.00 22.48 C ATOM 2417 CD2 LEU A 979 -9.302 2.308 21.158 1.00 24.31 C ATOM 2418 H LEU A 979 -5.560 3.736 20.546 1.00 0.00 H ATOM 2419 N TYR A 980 -5.097 -0.319 20.309 1.00 22.33 N ATOM 2420 CA TYR A 980 -4.108 -1.249 19.799 1.00 22.24 C ATOM 2421 C TYR A 980 -4.781 -2.301 18.952 1.00 24.69 C ATOM 2422 O TYR A 980 -5.876 -2.762 19.284 1.00 23.77 O ATOM 2423 CB TYR A 980 -3.416 -1.968 20.970 1.00 23.59 C ATOM 2424 CG TYR A 980 -2.267 -1.197 21.553 1.00 26.89 C ATOM 2425 CD1 TYR A 980 -2.478 -0.217 22.521 1.00 29.37 C ATOM 2426 CD2 TYR A 980 -0.962 -1.442 21.142 1.00 29.31 C ATOM 2427 CE1 TYR A 980 -1.415 0.511 23.053 1.00 31.85 C ATOM 2428 CE2 TYR A 980 0.106 -0.722 21.665 1.00 31.06 C ATOM 2429 CZ TYR A 980 -0.124 0.250 22.622 1.00 36.74 C ATOM 2430 OH TYR A 980 0.946 0.916 23.158 1.00 39.68 O ATOM 2431 HH TYR A 980 1.436 1.386 22.437 1.00 0.00 H ATOM 2432 H TYR A 980 -5.712 -0.639 21.085 1.00 0.00 H ATOM 2433 N PHE A 981 -4.115 -2.714 17.873 1.00 19.97 N ATOM 2434 CA PHE A 981 -4.609 -3.832 17.069 1.00 20.20 C ATOM 2435 C PHE A 981 -4.348 -5.112 17.874 1.00 21.57 C ATOM 2436 O PHE A 981 -5.199 -5.990 17.952 1.00 21.02 O ATOM 2437 CB PHE A 981 -3.835 -3.923 15.747 1.00 21.91 C ATOM 2438 CG PHE A 981 -4.253 -2.848 14.775 1.00 24.39 C ATOM 2439 CD1 PHE A 981 -5.425 -2.978 14.028 1.00 29.04 C ATOM 2440 CD2 PHE A 981 -3.473 -1.716 14.592 1.00 25.98 C ATOM 2441 CE1 PHE A 981 -5.822 -1.971 13.132 1.00 29.63 C ATOM 2442 CE2 PHE A 981 -3.873 -0.711 13.703 1.00 29.39 C ATOM 2443 CZ PHE A 981 -5.053 -0.843 12.994 1.00 27.85 C ATOM 2444 H PHE A 981 -3.233 -2.235 17.600 1.00 0.00 H ATOM 2445 N HIS A 982 -3.179 -5.172 18.492 1.00 20.07 N ATOM 2446 CA HIS A 982 -2.678 -6.347 19.225 1.00 19.48 C ATOM 2447 C HIS A 982 -2.210 -5.967 20.589 1.00 27.50 C ATOM 2448 O HIS A 982 -1.116 -5.426 20.738 1.00 29.07 O ATOM 2449 CB HIS A 982 -1.546 -7.019 18.436 1.00 18.43 C ATOM 2450 CG HIS A 982 -1.840 -7.107 16.971 1.00 20.17 C ATOM 2451 ND1 HIS A 982 -2.884 -7.867 16.496 1.00 21.53 N ATOM 2452 CD2 HIS A 982 -1.260 -6.460 15.935 1.00 22.77 C ATOM 2453 CE1 HIS A 982 -2.872 -7.725 15.181 1.00 22.03 C ATOM 2454 NE2 HIS A 982 -1.919 -6.876 14.794 1.00 22.60 N ATOM 2455 H HIS A 982 -2.571 -4.329 18.457 1.00 0.00 H ATOM 2456 N ARG A 983 -3.045 -6.227 21.577 1.00 27.06 N ATOM 2457 CA ARG A 983 -2.791 -5.935 22.992 1.00 30.00 C ATOM 2458 C ARG A 983 -1.420 -6.441 23.482 1.00 36.32 C ATOM 2459 O ARG A 983 -1.043 -7.587 23.224 1.00 34.47 O ATOM 2460 CB ARG A 983 -3.899 -6.554 23.869 1.00 33.29 C ATOM 2461 CG ARG A 983 -5.244 -5.836 23.773 1.00 56.47 C ATOM 2462 CD ARG A 983 -6.327 -6.639 24.473 1.00 74.81 C ATOM 2463 NE ARG A 983 -7.672 -6.157 24.151 1.00 87.30 N ATOM 2464 CZ ARG A 983 -8.355 -5.288 24.889 1.00104.97 C ATOM 2465 NH1 ARG A 983 -9.570 -4.908 24.520 1.00 95.74 N ATOM 2466 NH2 ARG A 983 -7.826 -4.791 26.001 1.00 92.94 N ATOM 2467 HE ARG A 983 -8.123 -6.519 23.287 1.00 0.00 H ATOM 2468 HH12 ARG A 983 -10.101 -4.228 25.101 1.00 0.00 H ATOM 2469 HH11 ARG A 983 -9.993 -5.290 23.650 1.00 0.00 H ATOM 2470 HH22 ARG A 983 -8.365 -4.111 26.575 1.00 0.00 H ATOM 2471 HH21 ARG A 983 -6.873 -5.081 26.298 1.00 0.00 H ATOM 2472 H ARG A 983 -3.953 -6.673 21.334 1.00 0.00 H ATOM 2473 N LYS A 984 -0.682 -5.553 24.183 1.00 34.89 N ATOM 2474 CA LYS A 984 0.622 -5.781 24.829 1.00 59.29 C ATOM 2475 C LYS A 984 1.707 -6.298 23.873 1.00115.51 C ATOM 2476 O LYS A 984 2.901 -6.203 24.164 1.00 84.19 O ATOM 2477 CB LYS A 984 0.476 -6.707 26.060 1.00 61.22 C ATOM 2478 CG LYS A 984 -0.560 -6.244 27.081 1.00 73.68 C ATOM 2479 CD LYS A 984 -1.820 -7.100 27.027 1.00 85.91 C ATOM 2480 CE LYS A 984 -2.916 -6.590 27.932 1.00 99.00 C ATOM 2481 NZ LYS A 984 -4.134 -7.444 27.863 1.00107.72 N ATOM 2482 HZ1 LYS A 984 -4.494 -7.454 26.887 1.00 0.00 H ATOM 2483 HZ2 LYS A 984 -3.894 -8.413 28.155 1.00 0.00 H ATOM 2484 HZ3 LYS A 984 -4.862 -7.060 28.499 1.00 0.00 H ATOM 2485 H LYS A 984 -1.081 -4.597 24.278 1.00 0.00 H TER 2486 LYS A 984 HETATM 2487 O HOH 1 -3.286 8.798 17.935 1.00 50.27 O HETATM 2488 O HOH 2 6.331 -4.445 11.620 1.00 30.10 O HETATM 2489 O HOH 3 3.716 12.872 3.949 1.00 51.47 O HETATM 2490 O HOH 4 9.530 22.036 22.774 1.00 38.05 O HETATM 2491 O HOH 5 1.374 -4.496 20.499 1.00 33.69 O HETATM 2492 O HOH 6 -7.998 19.607 29.059 1.00 41.92 O HETATM 2493 O HOH 7 8.150 19.801 6.404 1.00 20.90 O HETATM 2494 O HOH 8 -7.561 -0.359 -0.331 1.00 41.88 O HETATM 2495 O HOH 9 -6.930 9.648 17.684 1.00 19.69 O HETATM 2496 O HOH 10 -3.923 15.356 14.704 1.00 33.12 O HETATM 2497 O HOH 11 3.928 -3.275 17.909 1.00 28.97 O HETATM 2498 O HOH 12 -2.416 1.052 16.969 1.00 26.83 O HETATM 2499 O HOH 13 3.393 0.786 21.481 1.00 32.69 O HETATM 2500 O HOH 14 15.162 28.283 6.145 1.00 20.59 O HETATM 2501 O HOH 15 -14.564 14.715 5.554 1.00 31.47 O HETATM 2502 O HOH 16 3.579 15.765 0.371 1.00 36.21 O HETATM 2503 O HOH 17 7.768 1.512 19.764 1.00 42.45 O HETATM 2504 O HOH 18 -6.787 24.600 24.684 1.00 33.91 O HETATM 2505 O HOH 19 -1.226 9.281 19.878 1.00 56.99 O HETATM 2506 O HOH 20 3.739 18.825 5.510 1.00 45.91 O HETATM 2507 O HOH 21 1.347 6.215 -5.659 1.00 57.25 O HETATM 2508 O HOH 22 6.318 7.684 28.182 1.00 50.41 O HETATM 2509 O HOH 23 -6.258 29.602 20.766 1.00 52.61 O HETATM 2510 O HOH 24 23.973 21.784 13.090 1.00 45.46 O HETATM 2511 O HOH 25 3.835 27.981 13.426 1.00 26.50 O HETATM 2512 O HOH 26 -3.547 20.021 4.050 1.00 24.62 O HETATM 2513 O HOH 27 6.880 27.580 5.951 1.00 70.51 O HETATM 2514 O HOH 28 -17.288 10.090 16.201 1.00 27.49 O HETATM 2515 O HOH 29 -2.662 11.839 22.961 1.00 22.85 O HETATM 2516 O HOH 30 15.592 29.135 13.181 1.00 32.50 O HETATM 2517 O HOH 31 3.975 13.910 31.231 1.00 37.72 O HETATM 2518 O HOH 32 6.472 15.468 31.036 1.00 31.07 O HETATM 2519 O HOH 33 8.078 28.272 18.002 1.00 34.85 O HETATM 2520 O HOH 34 0.583 -0.706 -1.987 1.00 32.81 O HETATM 2521 O HOH 35 -3.465 11.603 2.623 1.00 18.16 O HETATM 2522 O HOH 36 9.748 30.784 17.415 1.00 44.46 O HETATM 2523 O HOH 37 -3.503 8.969 29.267 1.00 41.05 O HETATM 2524 O HOH 38 -18.880 7.059 10.254 1.00 31.05 O HETATM 2525 O HOH 39 14.645 1.623 0.330 1.00 46.06 O HETATM 2526 O HOH 40 0.515 -3.176 -0.842 1.00 45.27 O HETATM 2527 O HOH 41 -16.671 -2.139 13.986 1.00 54.09 O HETATM 2528 O HOH 42 -9.660 21.405 3.410 1.00 31.80 O HETATM 2529 O HOH 43 -20.087 1.099 14.249 1.00 34.93 O HETATM 2530 O HOH 44 17.187 19.431 1.496 1.00 33.80 O HETATM 2531 O HOH 45 -13.583 -0.655 3.078 1.00 52.12 O HETATM 2532 O HOH 46 -1.046 14.831 -2.829 1.00 55.31 O HETATM 2533 O HOH 47 -13.639 18.038 21.712 1.00 35.25 O HETATM 2534 O HOH 48 -15.239 14.040 21.894 1.00 28.74 O HETATM 2535 O HOH 49 -21.533 7.314 21.397 1.00 38.78 O HETATM 2536 O HOH 50 -18.946 7.518 24.578 1.00 55.16 O HETATM 2537 O HOH 51 -0.882 3.801 17.102 1.00 31.55 O HETATM 2538 O HOH 52 -3.506 29.453 21.338 1.00 40.36 O HETATM 2539 O HOH 53 19.231 3.823 5.567 1.00 59.36 O HETATM 2540 O HOH 54 10.610 11.373 26.967 1.00 31.39 O HETATM 2541 O HOH 55 5.852 30.303 23.448 1.00 34.73 O HETATM 2542 O HOH 56 -0.422 11.830 19.451 1.00 29.13 O HETATM 2543 O HOH 57 -15.477 19.929 9.919 1.00 45.72 O HETATM 2544 O HOH 58 22.904 24.264 10.171 1.00 48.26 O HETATM 2545 O HOH 59 -3.292 10.001 4.881 1.00 25.95 O HETATM 2546 O HOH 60 -23.183 10.235 23.237 1.00 51.32 O HETATM 2547 O HOH 61 0.727 -7.701 14.271 1.00 30.69 O HETATM 2548 O HOH 62 3.797 -11.067 9.723 1.00 36.27 O HETATM 2549 O HOH 63 0.210 -9.982 23.949 1.00 19.12 O HETATM 2550 O HOH 64 -9.133 16.065 23.267 1.00 47.74 O HETATM 2551 O HOH 65 -0.336 7.384 21.600 1.00 69.09 O HETATM 2552 O HOH 66 23.215 14.123 23.318 1.00 41.00 O HETATM 2553 O HOH 67 -20.387 16.591 11.636 1.00 39.54 O HETATM 2554 O HOH 68 -11.475 17.781 23.332 1.00 61.99 O HETATM 2555 O HOH 69 -8.714 23.092 20.457 1.00 40.75 O HETATM 2556 O HOH 70 -16.992 11.629 3.097 1.00 41.22 O HETATM 2557 O HOH 71 -1.808 14.098 7.667 1.00 36.02 O HETATM 2558 O HOH 72 1.347 -5.050 17.943 1.00 37.10 O HETATM 2559 O HOH 73 -12.874 0.117 15.056 1.00 47.42 O HETATM 2560 O HOH 74 0.691 9.261 25.784 1.00 42.93 O HETATM 2561 O HOH 75 -13.334 10.067 28.879 1.00 43.22 O HETATM 2562 O HOH 76 5.551 16.000 10.095 1.00 18.55 O HETATM 2563 O HOH 77 5.199 -1.255 21.579 1.00 52.09 O HETATM 2564 O HOH 78 -5.605 17.683 -4.533 1.00 34.50 O HETATM 2565 O HOH 79 -0.812 6.462 17.594 1.00 31.75 O HETATM 2566 O HOH 80 -5.125 18.639 2.192 1.00 32.64 O HETATM 2567 O HOH 81 -10.938 8.359 -5.821 1.00 34.70 O HETATM 2568 O HOH 82 6.541 -3.067 -1.172 1.00 39.68 O HETATM 2569 O HOH 83 -4.110 16.105 34.732 1.00 42.73 O HETATM 2570 O HOH 84 21.351 10.591 10.949 1.00 39.44 O HETATM 2571 O HOH 85 21.763 24.399 23.874 1.00 41.48 O HETATM 2572 O HOH 86 5.331 11.705 -0.443 1.00 45.25 O HETATM 2573 O HOH 87 4.961 15.030 4.965 1.00 28.26 O HETATM 2574 O HOH 88 25.686 19.684 10.876 1.00 55.52 O HETATM 2575 O HOH 89 4.979 4.088 -3.219 1.00 28.34 O HETATM 2576 O HOH 90 26.396 14.748 12.227 1.00 33.59 O HETATM 2577 O HOH 91 -9.822 25.064 6.968 1.00 54.83 O HETATM 2578 O HOH 92 -2.016 -11.219 -3.173 1.00 63.02 O HETATM 2579 O HOH 93 -3.947 6.184 29.527 1.00 54.52 O HETATM 2580 O HOH 94 2.651 -11.022 3.110 1.00 40.31 O HETATM 2581 O HOH 95 -1.619 17.232 34.611 1.00 43.03 O HETATM 2582 O HOH 96 13.923 31.351 19.067 1.00 60.50 O HETATM 2583 O HOH 97 0.137 25.579 6.953 1.00 39.17 O HETATM 2584 O HOH 98 10.835 18.039 -0.370 1.00 55.37 O HETATM 2585 O HOH 99 24.122 27.937 6.073 1.00 77.42 O HETATM 2586 O HOH 100 -11.221 14.018 25.956 1.00 40.67 O HETATM 2587 O HOH 101 15.137 -2.440 10.583 1.00 62.32 O HETATM 2588 O HOH 102 -6.812 -1.296 22.504 1.00 40.47 O HETATM 2589 O HOH 103 -5.609 -7.379 20.664 1.00 34.33 O HETATM 2590 O HOH 104 -13.310 1.570 19.948 1.00 47.20 O HETATM 2591 O HOH 105 6.126 17.818 32.607 1.00 41.17 O HETATM 2592 O HOH 106 8.707 25.068 -3.313 1.00 71.49 O HETATM 2593 O HOH 107 -1.806 -2.823 24.663 1.00 41.67 O HETATM 2594 O HOH 108 24.059 27.418 13.160 1.00 59.77 O HETATM 2595 O HOH 109 25.653 30.442 14.604 1.00 56.58 O HETATM 2596 O HOH 110 -22.499 7.201 16.557 1.00 28.35 O HETATM 2597 O HOH 111 -13.106 1.476 22.665 1.00 57.90 O HETATM 2598 O HOH 112 19.314 21.164 7.100 1.00 30.37 O HETATM 2599 O HOH 113 8.362 14.087 32.665 1.00 66.89 O HETATM 2600 O HOH 114 -22.620 5.925 19.361 1.00 37.59 O HETATM 2601 O HOH 115 13.562 5.845 -0.707 1.00 50.96 O HETATM 2602 O HOH 116 16.441 -0.851 7.227 1.00 43.42 O HETATM 2603 O HOH 117 2.774 -9.029 25.402 1.00 68.66 O HETATM 2604 O HOH 118 12.168 34.539 29.515 1.00 58.41 O HETATM 2605 O HOH 119 -15.443 11.121 27.050 1.00 60.56 O HETATM 2606 O HOH 120 0.299 4.854 24.857 1.00 51.56 O HETATM 2607 O HOH 121 -7.734 4.607 29.588 1.00 65.26 O HETATM 2608 O HOH 122 -10.822 -6.031 3.130 1.00 59.51 O HETATM 2609 O HOH 123 5.007 18.153 -1.647 1.00 48.21 O HETATM 2610 O HOH 124 1.591 -1.099 25.440 1.00 56.65 O HETATM 2611 O HOH 125 12.348 8.370 -3.593 1.00 62.02 O HETATM 2612 O HOH 126 19.055 12.015 24.723 1.00 36.25 O HETATM 2613 O HOH 127 20.613 10.484 2.186 1.00 54.89 O HETATM 2614 O HOH 128 -23.550 12.132 10.387 1.00 57.08 O HETATM 2615 O HOH 129 6.627 4.342 26.165 1.00 47.99 O HETATM 2616 O HOH 130 16.307 12.318 24.008 1.00 38.65 O HETATM 2617 O HOH 131 20.548 14.796 23.635 1.00 36.00 O HETATM 2618 O HOH 132 -7.113 17.573 24.115 1.00 50.32 O HETATM 2619 O HOH 133 -1.512 22.280 2.543 1.00 42.48 O HETATM 2620 O HOH 134 7.500 -7.672 11.805 1.00 59.98 O HETATM 2621 O HOH 135 14.463 29.935 16.778 1.00 43.62 O HETATM 2622 O HOH 136 -1.611 16.591 -4.819 1.00 43.33 O HETATM 2623 O HOH 137 17.899 0.210 1.042 1.00 53.50 O HETATM 2624 O HOH 138 11.984 20.624 35.984 1.00 69.88 O HETATM 2625 O HOH 139 -13.303 13.563 27.942 1.00 56.05 O HETATM 2626 O HOH 140 9.066 -6.409 2.879 1.00 56.40 O HETATM 2627 O HOH 141 -9.922 23.902 4.493 1.00 63.60 O HETATM 2628 O HOH 142 7.734 15.808 -1.294 1.00 66.65 O HETATM 2629 O HOH 143 12.404 11.270 -3.738 1.00 63.84 O HETATM 2630 O HOH 144 15.251 -3.277 1.787 1.00 79.14 O HETATM 2631 O HOH 145 -15.720 18.150 7.616 1.00 63.40 O HETATM 2632 O HOH 146 1.135 27.891 13.249 1.00 30.52 O HETATM 2633 O HOH 147 -3.768 -14.014 2.028 1.00 58.85 O HETATM 2634 O HOH 148 -17.797 8.268 3.574 1.00 62.66 O HETATM 2635 O HOH 149 24.034 31.653 7.698 1.00 61.67 O HETATM 2636 O HOH 150 -15.782 12.986 24.349 1.00 54.70 O HETATM 2637 O HOH 151 -22.637 13.948 8.124 1.00 60.15 O HETATM 2638 O HOH 152 4.018 -9.472 12.683 1.00 58.25 O HETATM 2639 O HOH 153 11.058 31.601 25.183 1.00 71.38 O HETATM 2640 O HOH 154 5.133 9.967 -2.578 1.00 54.34 O HETATM 2641 O HOH 155 -11.600 20.443 23.593 1.00 65.70 O HETATM 2642 O HOH 156 -6.218 -10.532 8.450 1.00 49.17 O HETATM 2643 O HOH 157 3.084 -2.373 20.349 1.00 42.20 O HETATM 2644 O HOH 158 20.253 33.575 19.841 1.00 74.30 O HETATM 2645 O HOH 159 7.172 -2.816 13.884 1.00 45.36 O HETATM 2646 O HOH 160 3.844 13.233 1.261 1.00 55.89 O HETATM 2647 O HOH 161 15.766 -1.128 -2.906 1.00 62.52 O HETATM 2648 O HOH 162 -1.257 -10.005 28.722 1.00 48.68 O HETATM 2649 O HOH 163 -14.773 3.223 24.490 1.00 60.17 O HETATM 2650 O HOH 164 18.189 29.289 28.115 1.00 73.08 O HETATM 2651 O HOH 165 -13.812 14.585 25.364 1.00 73.85 O HETATM 2652 O HOH 166 11.542 17.181 -2.932 1.00 45.62 O HETATM 2653 O HOH 167 4.587 14.783 35.311 1.00 55.63 O HETATM 2654 O HOH 168 -21.186 6.173 23.832 1.00 64.99 O HETATM 2655 O HOH 169 9.264 30.719 0.865 1.00 51.60 O HETATM 2656 O HOH 170 1.547 10.336 31.599 1.00 51.80 O HETATM 2657 O HOH 171 -18.472 3.902 24.435 1.00 60.22 O HETATM 2658 O HOH 172 0.297 7.892 28.694 1.00 60.09 O HETATM 2659 O HOH 173 3.072 11.983 29.441 1.00 47.42 O HETATM 2660 O HOH 174 18.737 3.298 -2.673 1.00 57.61 O HETATM 2661 O HOH 175 -14.793 20.414 21.472 1.00 45.06 O HETATM 2662 O HOH 176 9.348 29.822 5.488 1.00 49.30 O HETATM 2663 O HOH 177 -0.937 5.726 27.576 1.00 62.50 O HETATM 2664 O HOH 178 1.776 -7.681 16.967 1.00 27.38 O HETATM 2665 O HOH 179 20.203 6.844 21.276 1.00 57.57 O HETATM 2666 O HOH 180 9.548 5.781 -2.038 1.00 60.68 O HETATM 2667 O HOH 181 11.777 14.854 29.925 1.00 58.74 O HETATM 2668 O HOH 182 22.596 16.578 6.182 1.00 59.61 O HETATM 2669 O HOH 183 6.074 7.040 -3.366 1.00 60.05 O HETATM 2670 O HOH 184 -1.989 8.049 26.436 1.00 53.76 O HETATM 2671 O HOH 185 5.038 -6.964 19.724 1.00 48.69 O HETATM 2672 O HOH 186 -1.625 9.776 24.354 1.00 32.40 O HETATM 2673 O HOH 187 3.922 7.027 -5.280 1.00 64.95 O HETATM 2674 O HOH 188 18.546 16.033 2.172 1.00 54.49 O HETATM 2675 O HOH 189 -11.415 23.238 20.361 1.00 42.45 O HETATM 2676 O HOH 190 -16.401 21.873 19.998 1.00 44.23 O HETATM 2677 O HOH 191 -9.188 31.038 10.798 1.00 78.47 O HETATM 2678 O HOH 192 -14.848 29.620 11.117 1.00 53.18 O HETATM 2679 C1 UNN A 193 11.181 13.543 16.599 1.00 -0.08 C HETATM 2680 C7 UNN A 193 9.881 13.405 16.131 1.00 -0.04 C HETATM 2681 C13 UNN A 193 8.996 14.459 16.314 1.00 0.09 C HETATM 2682 C8 UNN A 193 9.395 15.587 16.967 1.00 -0.03 C HETATM 2683 C12 UNN A 193 10.668 15.731 17.434 1.00 -0.05 C HETATM 2684 C16 UNN A 193 10.915 17.025 18.122 1.00 -0.02 C HETATM 2685 C19 UNN A 193 9.947 17.157 19.294 1.00 -0.02 C HETATM 2686 C20 UNN A 193 9.886 18.578 19.789 1.00 0.09 C HETATM 2687 S28 UNN A 193 8.648 18.852 21.035 1.00 0.04 S HETATM 2688 N23 UNN A 193 7.605 20.058 20.364 1.00 -0.24 N HETATM 2689 C17 UNN A 193 6.401 19.716 19.563 1.00 0.06 C HETATM 2690 C11 UNN A 193 6.685 19.104 18.223 1.00 -0.03 C HETATM 2691 C5 UNN A 193 5.895 18.065 17.762 1.00 -0.07 C HETATM 2692 C2 UNN A 193 6.143 17.472 16.535 1.00 -0.07 C HETATM 2693 C9 UNN A 193 7.192 17.926 15.750 1.00 -0.05 C HETATM 2694 C3 UNN A 193 7.969 18.981 16.199 1.00 -0.07 C HETATM 2695 C6 UNN A 193 7.717 19.561 17.426 1.00 -0.07 C HETATM 2696 H18 UNN A 193 8.335 20.383 17.768 1.00 0.05 H HETATM 2697 H3 UNN A 193 8.780 19.353 15.583 1.00 0.05 H HETATM 2698 C10 UNN A 193 7.471 17.365 14.441 1.00 0.02 C HETATM 2699 C14 UNN A 193 7.607 16.046 14.050 1.00 0.18 C HETATM 2700 C18 UNN A 193 7.614 14.680 14.555 1.00 0.15 C HETATM 2701 O27 UNN A 193 7.655 14.514 15.951 1.00 -0.30 O HETATM 2702 H21 UNN A 193 8.497 14.176 14.135 1.00 0.09 H HETATM 2703 H22 UNN A 193 6.702 14.187 14.189 1.00 0.09 H HETATM 2704 O26 UNN A 193 7.816 15.980 12.715 1.00 -0.17 O HETATM 2705 N22 UNN A 193 7.785 17.245 12.157 1.00 -0.17 N HETATM 2706 C15 UNN A 193 7.602 18.055 13.204 1.00 0.02 C HETATM 2707 C21 UNN A 193 7.573 19.496 12.933 1.00 -0.03 C HETATM 2708 H12 UNN A 193 7.706 19.669 11.855 1.00 0.04 H HETATM 2709 H13 UNN A 193 8.385 19.990 13.487 1.00 0.04 H HETATM 2710 H14 UNN A 193 6.606 19.910 13.254 1.00 0.04 H HETATM 2711 H2 UNN A 193 5.519 16.656 16.190 1.00 0.05 H HETATM 2712 H17 UNN A 193 5.071 17.710 18.370 1.00 0.05 H HETATM 2713 H19 UNN A 193 5.796 19.003 20.143 1.00 0.06 H HETATM 2714 H20 UNN A 193 5.825 20.639 19.402 1.00 0.06 H HETATM 2715 H15 UNN A 193 7.821 21.022 20.521 1.00 0.17 H HETATM 2716 O24 UNN A 193 7.890 17.636 21.257 1.00 -0.16 O HETATM 2717 O25 UNN A 193 9.378 19.452 22.131 1.00 -0.16 O HETATM 2718 H10 UNN A 193 9.668 19.234 18.933 1.00 0.05 H HETATM 2719 H11 UNN A 193 10.867 18.840 20.212 1.00 0.05 H HETATM 2720 H8 UNN A 193 10.284 16.505 20.113 1.00 0.03 H HETATM 2721 H9 UNN A 193 8.943 16.847 18.968 1.00 0.03 H HETATM 2722 H6 UNN A 193 10.755 17.854 17.417 1.00 0.04 H HETATM 2723 H7 UNN A 193 11.950 17.054 18.494 1.00 0.04 H HETATM 2724 C4 UNN A 193 11.579 14.703 17.254 1.00 -0.07 C HETATM 2725 H16 UNN A 193 12.594 14.802 17.621 1.00 0.05 H HETATM 2726 H5 UNN A 193 8.682 16.390 17.119 1.00 0.05 H HETATM 2727 H4 UNN A 193 9.564 12.495 15.634 1.00 0.05 H HETATM 2728 H1 UNN A 193 11.893 12.739 16.452 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 30 31 37 38 39 CONECT 37 30 CONECT 38 30 CONECT 39 30 CONECT 1772 1773 1779 1780 1781 CONECT 1779 1772 CONECT 1780 1772 CONECT 1781 1772 CONECT 2679 2680 2724 2728 CONECT 2680 2679 2681 2727 CONECT 2681 2680 2682 2701 CONECT 2682 2681 2683 2726 CONECT 2683 2682 2684 2724 CONECT 2684 2683 2685 2722 2723 CONECT 2685 2684 2686 2720 2721 CONECT 2686 2685 2687 2718 2719 CONECT 2687 2686 2688 2716 2717 CONECT 2688 2687 2689 2715 CONECT 2689 2688 2690 2713 2714 CONECT 2690 2689 2691 2695 CONECT 2691 2690 2692 2712 CONECT 2692 2691 2693 2711 CONECT 2693 2692 2694 2698 CONECT 2694 2693 2695 2697 CONECT 2695 2690 2694 2696 CONECT 2696 2695 CONECT 2697 2694 CONECT 2698 2693 2699 2706 CONECT 2699 2698 2700 2704 CONECT 2700 2699 2701 2702 2703 CONECT 2701 2681 2700 CONECT 2702 2700 CONECT 2703 2700 CONECT 2704 2699 2705 CONECT 2705 2704 2706 CONECT 2706 2698 2705 2707 CONECT 2707 2706 2708 2709 2710 CONECT 2708 2707 CONECT 2709 2707 CONECT 2710 2707 CONECT 2711 2692 CONECT 2712 2691 CONECT 2713 2689 CONECT 2714 2689 CONECT 2715 2688 CONECT 2716 2687 CONECT 2717 2687 CONECT 2718 2686 CONECT 2719 2686 CONECT 2720 2685 CONECT 2721 2685 CONECT 2722 2684 CONECT 2723 2684 CONECT 2724 2679 2683 2725 CONECT 2725 2724 CONECT 2726 2682 CONECT 2727 2680 CONECT 2728 2679 MASTER 0 0 0 0 0 0 0 0 2725 3 62 21 END
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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
5l7h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Mineralocorticoid receptor (MCR)
Ligand Name
6QG
EC.Number
E.C.-.-.-.-
Resolution
1.84(Å)
Affinity (Kd/Ki/IC50)
Ki=50nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ChemMedChem Vol. 12: pp. 50-65
Ligand Properties
Formula
C
2
1
H
2
2
N
2
O
4
S
Molecular Weight
398.475
Exact Mass
398.130
No. of atoms
50
No. of bonds
53
Polar Surface Area
89.81
LOGP Value
3.19 (
Computed with XLOGP3
)
5.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Cc1noc2c1c1ccc(cc1)CNS(=O)(=O)CCCc1cc(OC2)ccc1
InChI String
InChI=1S/C21H22N2O4S/c1-15-21-18-9-7-17(8-10-18)13-22-28(24,25)11-3-5-16-4-2-6-19(12-16)26-14-20(21)27-23-15/h2,4,6-10,12,22H,3,5,11,13-14H2,1H3
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):
P08235
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
4306
8648
ASD
Information of known allosteric effects of PDB entries
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