Browse entries in the PDBbind-CN Database
HEADER 6NRJ_COMPLEX COMPND 6NRJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 17 LYS SER LYS LEU PRO LYS PRO VAL GLN ASP LEU ILE LYS SEQRES 2 A 17 MET ILE PHE GLY SEQRES 1 A 223 ASP PRO ILE ASP VAL ASN TYR GLU LYS LEU LYS THR ASP SEQRES 2 A 223 ILE LYS VAL VAL ASP ARG ASP SER GLU GLU ALA GLU ILE SEQRES 3 A 223 ILE ARG LYS TYR VAL LYS ASN THR HIS ALA THR THR HIS SEQRES 4 A 223 ASN ALA TYR ASP LEU GLU VAL ILE ASP ILE PHE LYS ILE SEQRES 5 A 223 GLU ARG GLU GLY GLU CYS GLN ARG TYR LYS PRO PHE LYS SEQRES 6 A 223 GLN LEU HIS ASN ARG ARG LEU LEU TRP HIS GLY SER ARG SEQRES 7 A 223 THR THR ASN PHE ALA GLY ILE LEU SER GLN GLY LEU ARG SEQRES 8 A 223 ILE ALA PRO PRO GLU ALA PRO VAL THR GLY TYR MET PHE SEQRES 9 A 223 GLY LYS GLY ILE TYR PHE ALA ASP MET VAL SER LYS SER SEQRES 10 A 223 ALA ASN TYR CYS HIS THR SER GLN GLY ASP PRO ILE GLY SEQRES 11 A 223 LEU ILE LEU LEU GLY GLU VAL ALA LEU GLY ASN MET TYR SEQRES 12 A 223 GLU LEU LYS HIS ALA SER HIS ILE SER LYS LEU PRO LYS SEQRES 13 A 223 GLY LYS HIS SER VAL LYS GLY LEU GLY LYS THR THR PRO SEQRES 14 A 223 ASP PRO SER ALA ASN ILE SER LEU ASP GLY VAL ASP VAL SEQRES 15 A 223 PRO LEU GLY THR GLY ILE SER SER GLY VAL ASN ASP THR SEQRES 16 A 223 SER LEU LEU TYR ASN GLU TYR ILE VAL TYR ASP ILE ALA SEQRES 17 A 223 GLN VAL ASN LEU LYS TYR LEU LEU LYS LEU LYS PHE ASN SEQRES 18 A 223 PHE LYS HET KYJ A 368 54 ATOM 1 N LYS A 764 -1.057 -17.159 30.267 1.00 57.59 N ATOM 2 CA LYS A 764 -0.804 -15.786 30.778 1.00 54.34 C ATOM 3 C LYS A 764 0.679 -15.658 31.145 1.00 48.27 C ATOM 4 O LYS A 764 1.207 -16.411 31.973 1.00 49.97 O ATOM 5 CB LYS A 764 -1.677 -15.490 31.998 1.00 60.48 C ATOM 6 CG LYS A 764 -1.664 -14.041 32.472 1.00 64.13 C ATOM 7 CD LYS A 764 -2.732 -13.744 33.513 1.00 68.07 C ATOM 8 CE LYS A 764 -2.805 -14.788 34.612 1.00 70.22 C ATOM 9 NZ LYS A 764 -3.676 -14.362 35.737 1.00 67.96 N ATOM 10 HZ1 LYS A 764 -3.302 -13.484 36.150 1.00 0.00 H ATOM 11 HZ2 LYS A 764 -4.640 -14.197 35.384 1.00 0.00 H ATOM 12 HZ3 LYS A 764 -3.694 -15.108 36.462 1.00 0.00 H ATOM 13 HN3 LYS A 764 -0.816 -17.852 31.004 1.00 0.00 H ATOM 14 HN2 LYS A 764 -0.470 -17.328 29.425 1.00 0.00 H ATOM 15 HN1 LYS A 764 -2.062 -17.254 30.016 1.00 0.00 H ATOM 16 N SER A 765 1.339 -14.685 30.526 1.00 40.08 N ATOM 17 CA SER A 765 2.754 -14.454 30.748 1.00 37.72 C ATOM 18 C SER A 765 2.970 -13.825 32.137 1.00 36.52 C ATOM 19 O SER A 765 2.173 -13.009 32.560 1.00 35.04 O ATOM 20 CB SER A 765 3.301 -13.578 29.666 1.00 38.77 C ATOM 21 OG SER A 765 4.635 -13.211 29.930 1.00 37.52 O ATOM 22 HG SER A 765 5.195 -14.026 29.990 1.00 0.00 H ATOM 23 H SER A 765 0.826 -14.070 29.862 1.00 0.00 H ATOM 24 N LYS A 766 4.099 -14.158 32.778 1.00 33.72 N ATOM 25 CA LYS A 766 4.521 -13.531 34.039 1.00 35.32 C ATOM 26 C LYS A 766 5.735 -12.623 33.811 1.00 33.91 C ATOM 27 O LYS A 766 6.353 -12.163 34.761 1.00 32.51 O ATOM 28 CB LYS A 766 4.789 -14.622 35.082 1.00 38.03 C ATOM 29 CG LYS A 766 3.542 -15.400 35.481 1.00 40.82 C ATOM 30 CD LYS A 766 3.552 -15.984 36.871 1.00 48.59 C ATOM 31 CE LYS A 766 2.170 -16.339 37.384 1.00 49.73 C ATOM 32 NZ LYS A 766 1.513 -15.206 38.088 1.00 55.85 N ATOM 33 HZ1 LYS A 766 2.094 -14.922 38.903 1.00 0.00 H ATOM 34 HZ2 LYS A 766 1.415 -14.403 37.434 1.00 0.00 H ATOM 35 HZ3 LYS A 766 0.572 -15.503 38.418 1.00 0.00 H ATOM 36 H LYS A 766 4.705 -14.895 32.364 1.00 0.00 H ATOM 37 N LEU A 767 6.054 -12.332 32.543 1.00 30.20 N ATOM 38 CA LEU A 767 7.086 -11.397 32.188 1.00 28.85 C ATOM 39 C LEU A 767 6.519 -9.975 32.177 1.00 28.40 C ATOM 40 O LEU A 767 5.339 -9.750 31.899 1.00 29.55 O ATOM 41 CB LEU A 767 7.667 -11.739 30.812 1.00 29.89 C ATOM 42 CG LEU A 767 8.450 -13.042 30.697 1.00 29.79 C ATOM 43 CD1 LEU A 767 8.664 -13.390 29.235 1.00 30.93 C ATOM 44 CD2 LEU A 767 9.791 -12.961 31.410 1.00 30.18 C ATOM 45 H LEU A 767 5.530 -12.805 31.779 1.00 0.00 H ATOM 46 N PRO A 768 7.382 -8.965 32.401 1.00 28.68 N ATOM 47 CA PRO A 768 6.984 -7.561 32.242 1.00 29.49 C ATOM 48 C PRO A 768 6.523 -7.303 30.795 1.00 27.44 C ATOM 49 O PRO A 768 7.075 -7.895 29.855 1.00 27.74 O ATOM 50 CB PRO A 768 8.269 -6.786 32.552 1.00 31.96 C ATOM 51 CG PRO A 768 9.051 -7.760 33.453 1.00 33.39 C ATOM 52 CD PRO A 768 8.785 -9.109 32.824 1.00 31.08 C ATOM 53 N LYS A 769 5.582 -6.363 30.632 1.00 29.77 N ATOM 54 CA LYS A 769 4.935 -6.156 29.324 1.00 31.93 C ATOM 55 C LYS A 769 5.971 -5.818 28.258 1.00 29.85 C ATOM 56 O LYS A 769 5.916 -6.377 27.162 1.00 29.66 O ATOM 57 CB LYS A 769 3.828 -5.105 29.411 1.00 34.05 C ATOM 58 CG LYS A 769 3.100 -4.848 28.092 1.00 40.61 C ATOM 59 CD LYS A 769 2.085 -3.739 28.171 1.00 48.87 C ATOM 60 CE LYS A 769 2.134 -2.785 26.991 1.00 55.53 C ATOM 61 NZ LYS A 769 2.001 -3.493 25.692 1.00 59.01 N ATOM 62 HZ1 LYS A 769 2.779 -4.175 25.589 1.00 0.00 H ATOM 63 HZ2 LYS A 769 1.091 -3.996 25.664 1.00 0.00 H ATOM 64 HZ3 LYS A 769 2.040 -2.802 24.916 1.00 0.00 H ATOM 65 H LYS A 769 5.304 -5.771 31.440 1.00 0.00 H ATOM 66 N PRO A 770 7.009 -4.979 28.498 1.00 30.52 N ATOM 67 CA PRO A 770 7.979 -4.719 27.441 1.00 31.52 C ATOM 68 C PRO A 770 8.693 -5.986 26.954 1.00 30.16 C ATOM 69 O PRO A 770 8.986 -6.101 25.765 1.00 29.69 O ATOM 70 CB PRO A 770 8.973 -3.743 28.081 1.00 32.76 C ATOM 71 CG PRO A 770 8.178 -3.064 29.153 1.00 34.78 C ATOM 72 CD PRO A 770 7.230 -4.124 29.677 1.00 33.03 C ATOM 73 N VAL A 771 8.985 -6.938 27.858 1.00 27.71 N ATOM 74 CA VAL A 771 9.618 -8.183 27.463 1.00 27.56 C ATOM 75 C VAL A 771 8.606 -9.057 26.688 1.00 27.65 C ATOM 76 O VAL A 771 8.981 -9.692 25.704 1.00 29.22 O ATOM 77 CB VAL A 771 10.220 -8.940 28.670 1.00 28.32 C ATOM 78 CG1 VAL A 771 10.874 -10.231 28.238 1.00 29.91 C ATOM 79 CG2 VAL A 771 11.207 -8.076 29.438 1.00 29.91 C ATOM 80 H VAL A 771 8.753 -6.779 28.859 1.00 0.00 H ATOM 81 N GLN A 772 7.352 -9.113 27.139 1.00 28.38 N ATOM 82 CA GLN A 772 6.303 -9.842 26.384 1.00 30.11 C ATOM 83 C GLN A 772 6.286 -9.342 24.927 1.00 31.24 C ATOM 84 O GLN A 772 6.255 -10.131 23.964 1.00 31.21 O ATOM 85 CB GLN A 772 4.912 -9.638 26.962 1.00 32.31 C ATOM 86 CG GLN A 772 4.743 -10.140 28.395 1.00 32.30 C ATOM 87 CD GLN A 772 3.350 -9.887 28.909 1.00 38.16 C ATOM 88 OE1 GLN A 772 2.385 -9.798 28.145 1.00 40.08 O ATOM 89 NE2 GLN A 772 3.225 -9.799 30.228 1.00 36.84 N ATOM 90 HE22 GLN A 772 4.065 -9.879 30.836 1.00 0.00 H ATOM 91 HE21 GLN A 772 2.287 -9.650 30.653 1.00 0.00 H ATOM 92 H GLN A 772 7.106 -8.639 28.032 1.00 0.00 H ATOM 93 N ASP A 773 6.294 -8.018 24.767 1.00 29.94 N ATOM 94 CA ASP A 773 6.211 -7.415 23.419 1.00 32.33 C ATOM 95 C ASP A 773 7.475 -7.737 22.595 1.00 32.46 C ATOM 96 O ASP A 773 7.394 -7.974 21.381 1.00 31.72 O ATOM 97 CB ASP A 773 5.857 -5.927 23.522 1.00 35.07 C ATOM 98 CG ASP A 773 4.459 -5.644 24.061 1.00 42.46 C ATOM 99 OD1 ASP A 773 3.600 -6.579 24.092 1.00 43.96 O ATOM 100 OD2 ASP A 773 4.220 -4.491 24.463 1.00 46.40 O ATOM 101 H ASP A 773 6.360 -7.401 25.602 1.00 0.00 H ATOM 102 N LEU A 774 8.645 -7.777 23.239 1.00 27.50 N ATOM 103 CA LEU A 774 9.866 -8.155 22.578 1.00 28.01 C ATOM 104 C LEU A 774 9.764 -9.587 22.048 1.00 29.35 C ATOM 105 O LEU A 774 10.162 -9.863 20.900 1.00 28.30 O ATOM 106 CB LEU A 774 11.041 -8.021 23.551 1.00 28.63 C ATOM 107 CG LEU A 774 12.397 -8.437 23.003 1.00 28.94 C ATOM 108 CD1 LEU A 774 12.868 -7.526 21.866 1.00 29.03 C ATOM 109 CD2 LEU A 774 13.421 -8.464 24.129 1.00 28.81 C ATOM 110 H LEU A 774 8.674 -7.527 24.248 1.00 0.00 H ATOM 111 N ILE A 775 9.240 -10.490 22.878 1.00 29.60 N ATOM 112 CA ILE A 775 9.122 -11.896 22.515 1.00 31.54 C ATOM 113 C ILE A 775 8.187 -12.011 21.301 1.00 31.52 C ATOM 114 O ILE A 775 8.493 -12.723 20.355 1.00 31.33 O ATOM 115 CB ILE A 775 8.637 -12.735 23.714 1.00 31.33 C ATOM 116 CG1 ILE A 775 9.669 -12.766 24.844 1.00 34.95 C ATOM 117 CG2 ILE A 775 8.241 -14.132 23.287 1.00 33.78 C ATOM 118 CD1 ILE A 775 11.021 -13.243 24.442 1.00 38.79 C ATOM 119 H ILE A 775 8.905 -10.181 23.813 1.00 0.00 H ATOM 120 N LYS A 776 7.055 -11.296 21.328 1.00 32.71 N ATOM 121 CA LYS A 776 6.095 -11.335 20.204 1.00 34.89 C ATOM 122 C LYS A 776 6.755 -10.855 18.900 1.00 36.34 C ATOM 123 O LYS A 776 6.473 -11.380 17.821 1.00 38.39 O ATOM 124 CB LYS A 776 4.838 -10.520 20.518 1.00 38.76 C ATOM 125 CG LYS A 776 3.902 -11.139 21.542 1.00 44.02 C ATOM 126 CD LYS A 776 2.689 -10.255 21.803 1.00 49.45 C ATOM 127 CE LYS A 776 1.518 -10.988 22.414 1.00 57.56 C ATOM 128 NZ LYS A 776 0.531 -10.042 22.989 1.00 61.54 N ATOM 129 HZ1 LYS A 776 0.989 -9.473 23.729 1.00 0.00 H ATOM 130 HZ2 LYS A 776 0.175 -9.416 22.239 1.00 0.00 H ATOM 131 HZ3 LYS A 776 -0.261 -10.576 23.401 1.00 0.00 H ATOM 132 H LYS A 776 6.847 -10.702 22.156 1.00 0.00 H ATOM 133 N MET A 777 7.620 -9.847 19.000 1.00 33.36 N ATOM 134 CA MET A 777 8.348 -9.312 17.835 1.00 34.15 C ATOM 135 C MET A 777 9.337 -10.356 17.287 1.00 35.57 C ATOM 136 O MET A 777 9.424 -10.587 16.074 1.00 34.87 O ATOM 137 CB MET A 777 9.084 -8.034 18.241 1.00 37.11 C ATOM 138 CG MET A 777 9.618 -7.226 17.090 1.00 45.30 C ATOM 139 SD MET A 777 10.509 -5.787 17.728 1.00 45.14 S ATOM 140 CE MET A 777 11.307 -5.188 16.239 1.00 44.54 C ATOM 141 H MET A 777 7.788 -9.422 19.934 1.00 0.00 H ATOM 142 N ILE A 778 10.051 -11.037 18.182 1.00 33.34 N ATOM 143 CA ILE A 778 11.122 -11.965 17.796 1.00 33.57 C ATOM 144 C ILE A 778 10.519 -13.236 17.194 1.00 35.88 C ATOM 145 O ILE A 778 11.034 -13.737 16.195 1.00 37.95 O ATOM 146 CB ILE A 778 12.047 -12.246 18.999 1.00 31.13 C ATOM 147 CG1 ILE A 778 12.926 -11.037 19.315 1.00 31.38 C ATOM 148 CG2 ILE A 778 12.891 -13.504 18.803 1.00 32.29 C ATOM 149 CD1 ILE A 778 13.698 -11.187 20.617 1.00 31.09 C ATOM 150 H ILE A 778 9.842 -10.907 19.192 1.00 0.00 H ATOM 151 N PHE A 779 9.400 -13.710 17.741 1.00 33.54 N ATOM 152 CA PHE A 779 8.803 -14.993 17.307 1.00 39.36 C ATOM 153 C PHE A 779 7.708 -14.765 16.252 1.00 45.34 C ATOM 154 O PHE A 779 7.261 -15.725 15.635 1.00 48.73 O ATOM 155 CB PHE A 779 8.354 -15.800 18.529 1.00 36.49 C ATOM 156 CG PHE A 779 9.528 -16.423 19.246 1.00 35.99 C ATOM 157 CD1 PHE A 779 10.189 -15.733 20.251 1.00 33.56 C ATOM 158 CD2 PHE A 779 10.019 -17.669 18.870 1.00 37.58 C ATOM 159 CE1 PHE A 779 11.298 -16.287 20.880 1.00 32.99 C ATOM 160 CE2 PHE A 779 11.134 -18.215 19.494 1.00 39.19 C ATOM 161 CZ PHE A 779 11.759 -17.531 20.511 1.00 35.93 C ATOM 162 H PHE A 779 8.934 -13.164 18.493 1.00 0.00 H ATOM 163 N GLY A 780 7.332 -13.504 16.008 1.00 48.23 N ATOM 164 CA GLY A 780 6.342 -13.133 14.989 1.00 57.23 C ATOM 165 C GLY A 780 4.977 -13.743 15.266 1.00 59.17 C ATOM 166 O GLY A 780 4.501 -13.736 16.404 1.00 69.65 O ATOM 167 H GLY A 780 7.765 -12.745 16.571 1.00 0.00 H TER 168 GLY A 780 ATOM 169 N ASP A 788 3.230 -20.939 20.267 1.00 58.62 N ATOM 170 CA ASP A 788 3.571 -21.281 21.643 1.00 53.66 C ATOM 171 C ASP A 788 3.278 -20.094 22.557 1.00 49.18 C ATOM 172 O ASP A 788 3.250 -18.951 22.116 1.00 50.18 O ATOM 173 CB ASP A 788 5.041 -21.692 21.769 1.00 52.85 C ATOM 174 CG ASP A 788 5.302 -23.174 21.559 1.00 58.66 C ATOM 175 OD1 ASP A 788 4.445 -23.993 21.963 1.00 67.03 O ATOM 176 OD2 ASP A 788 6.363 -23.501 20.993 1.00 61.28 O ATOM 177 HN3 ASP A 788 3.797 -20.122 19.964 1.00 0.00 H ATOM 178 HN2 ASP A 788 2.219 -20.701 20.210 1.00 0.00 H ATOM 179 HN1 ASP A 788 3.432 -21.751 19.649 1.00 0.00 H ATOM 180 N PRO A 789 3.065 -20.333 23.867 1.00 45.89 N ATOM 181 CA PRO A 789 2.872 -19.250 24.829 1.00 43.04 C ATOM 182 C PRO A 789 4.136 -18.389 24.924 1.00 39.45 C ATOM 183 O PRO A 789 5.210 -18.846 24.589 1.00 37.46 O ATOM 184 CB PRO A 789 2.589 -19.935 26.181 1.00 44.39 C ATOM 185 CG PRO A 789 2.426 -21.415 25.872 1.00 48.49 C ATOM 186 CD PRO A 789 2.998 -21.660 24.493 1.00 47.02 C ATOM 187 N ILE A 790 3.969 -17.139 25.356 1.00 36.37 N ATOM 188 CA ILE A 790 5.055 -16.193 25.437 1.00 33.80 C ATOM 189 C ILE A 790 6.196 -16.746 26.301 1.00 31.94 C ATOM 190 O ILE A 790 7.355 -16.629 25.915 1.00 31.71 O ATOM 191 CB ILE A 790 4.546 -14.827 25.944 1.00 36.57 C ATOM 192 CG1 ILE A 790 3.649 -14.157 24.897 1.00 39.70 C ATOM 193 CG2 ILE A 790 5.710 -13.931 26.331 1.00 33.61 C ATOM 194 CD1 ILE A 790 2.776 -13.053 25.450 1.00 45.20 C ATOM 195 H ILE A 790 3.018 -16.834 25.646 1.00 0.00 H ATOM 196 N ASP A 791 5.888 -17.309 27.469 1.00 33.52 N ATOM 197 CA ASP A 791 6.945 -17.668 28.416 1.00 33.83 C ATOM 198 C ASP A 791 7.680 -18.922 27.925 1.00 34.58 C ATOM 199 O ASP A 791 8.863 -19.094 28.203 1.00 33.95 O ATOM 200 CB ASP A 791 6.395 -17.773 29.841 1.00 35.28 C ATOM 201 CG ASP A 791 5.962 -16.430 30.435 1.00 37.19 C ATOM 202 OD1 ASP A 791 6.008 -15.426 29.715 1.00 36.73 O ATOM 203 OD2 ASP A 791 5.563 -16.401 31.628 1.00 38.36 O ATOM 204 H ASP A 791 4.893 -17.494 27.709 1.00 0.00 H ATOM 205 N VAL A 792 7.012 -19.765 27.134 1.00 36.18 N ATOM 206 CA VAL A 792 7.691 -20.923 26.491 1.00 36.75 C ATOM 207 C VAL A 792 8.689 -20.436 25.427 1.00 36.56 C ATOM 208 O VAL A 792 9.872 -20.910 25.354 1.00 35.59 O ATOM 209 CB VAL A 792 6.644 -21.912 25.931 1.00 40.05 C ATOM 210 CG1 VAL A 792 7.275 -23.022 25.098 1.00 40.15 C ATOM 211 CG2 VAL A 792 5.801 -22.499 27.051 1.00 41.90 C ATOM 212 H VAL A 792 5.998 -19.610 26.964 1.00 0.00 H ATOM 213 N ASN A 793 8.269 -19.470 24.604 1.00 34.04 N ATOM 214 CA ASN A 793 9.127 -18.856 23.631 1.00 35.34 C ATOM 215 C ASN A 793 10.313 -18.162 24.329 1.00 31.71 C ATOM 216 O ASN A 793 11.443 -18.209 23.831 1.00 29.97 O ATOM 217 CB ASN A 793 8.355 -17.889 22.724 1.00 36.25 C ATOM 218 CG ASN A 793 7.642 -18.622 21.605 1.00 41.70 C ATOM 219 OD1 ASN A 793 7.934 -19.788 21.348 1.00 42.99 O ATOM 220 ND2 ASN A 793 6.693 -17.966 20.961 1.00 42.17 N ATOM 221 HD22 ASN A 793 6.480 -16.980 21.213 1.00 0.00 H ATOM 222 HD21 ASN A 793 6.159 -18.436 20.202 1.00 0.00 H ATOM 223 H ASN A 793 7.282 -19.151 24.671 1.00 0.00 H ATOM 224 N TYR A 794 10.049 -17.506 25.466 1.00 30.20 N ATOM 225 CA TYR A 794 11.111 -16.835 26.234 1.00 27.73 C ATOM 226 C TYR A 794 12.230 -17.843 26.541 1.00 27.82 C ATOM 227 O TYR A 794 13.412 -17.513 26.371 1.00 28.59 O ATOM 228 CB TYR A 794 10.557 -16.174 27.507 1.00 30.04 C ATOM 229 CG TYR A 794 11.605 -15.597 28.432 1.00 27.53 C ATOM 230 CD1 TYR A 794 12.159 -14.350 28.184 1.00 29.23 C ATOM 231 CD2 TYR A 794 12.015 -16.268 29.567 1.00 29.08 C ATOM 232 CE1 TYR A 794 13.128 -13.807 29.013 1.00 28.82 C ATOM 233 CE2 TYR A 794 12.983 -15.737 30.413 1.00 28.41 C ATOM 234 CZ TYR A 794 13.538 -14.502 30.136 1.00 27.87 C ATOM 235 OH TYR A 794 14.478 -13.960 30.960 1.00 27.77 O ATOM 236 HH TYR A 794 15.262 -14.563 31.006 1.00 0.00 H ATOM 237 H TYR A 794 9.070 -17.470 25.815 1.00 0.00 H ATOM 238 N GLU A 795 11.869 -19.030 27.038 1.00 30.94 N ATOM 239 CA GLU A 795 12.861 -20.007 27.532 1.00 35.57 C ATOM 240 C GLU A 795 13.699 -20.535 26.361 1.00 35.41 C ATOM 241 O GLU A 795 14.883 -20.848 26.523 1.00 34.23 O ATOM 242 CB GLU A 795 12.169 -21.132 28.318 1.00 41.56 C ATOM 243 CG GLU A 795 11.642 -20.648 29.666 1.00 47.54 C ATOM 244 CD GLU A 795 11.503 -21.663 30.793 1.00 58.61 C ATOM 245 OE1 GLU A 795 10.784 -22.674 30.596 1.00 62.83 O ATOM 246 OE2 GLU A 795 12.090 -21.418 31.893 1.00 58.65 O ATOM 247 H GLU A 795 10.859 -19.273 27.078 1.00 0.00 H ATOM 248 N LYS A 796 13.127 -20.541 25.152 1.00 33.79 N ATOM 249 CA LYS A 796 13.882 -20.985 23.963 1.00 35.07 C ATOM 250 C LYS A 796 15.086 -20.077 23.660 1.00 33.74 C ATOM 251 O LYS A 796 16.008 -20.509 22.944 1.00 35.39 O ATOM 252 CB LYS A 796 12.988 -21.028 22.724 1.00 37.34 C ATOM 253 CG LYS A 796 11.899 -22.080 22.734 1.00 40.80 C ATOM 254 CD LYS A 796 11.007 -21.943 21.525 1.00 42.62 C ATOM 255 CE LYS A 796 9.805 -22.855 21.546 1.00 47.19 C ATOM 256 NZ LYS A 796 8.804 -22.395 20.553 1.00 49.94 N ATOM 257 HZ1 LYS A 796 8.505 -21.427 20.787 1.00 0.00 H ATOM 258 HZ2 LYS A 796 9.228 -22.408 19.604 1.00 0.00 H ATOM 259 HZ3 LYS A 796 7.980 -23.029 20.574 1.00 0.00 H ATOM 260 H LYS A 796 12.140 -20.230 25.048 1.00 0.00 H ATOM 261 N LEU A 797 15.064 -18.811 24.119 1.00 31.07 N ATOM 262 CA LEU A 797 16.136 -17.868 23.877 1.00 29.64 C ATOM 263 C LEU A 797 17.351 -18.159 24.772 1.00 28.04 C ATOM 264 O LEU A 797 18.439 -17.662 24.463 1.00 30.40 O ATOM 265 CB LEU A 797 15.630 -16.434 24.078 1.00 28.85 C ATOM 266 CG LEU A 797 14.478 -16.027 23.164 1.00 30.60 C ATOM 267 CD1 LEU A 797 13.980 -14.631 23.527 1.00 32.24 C ATOM 268 CD2 LEU A 797 14.912 -16.081 21.706 1.00 32.63 C ATOM 269 H LEU A 797 14.241 -18.497 24.672 1.00 0.00 H ATOM 270 N LYS A 798 17.175 -18.940 25.843 1.00 30.68 N ATOM 271 CA LYS A 798 18.239 -19.282 26.812 1.00 30.42 C ATOM 272 C LYS A 798 19.043 -18.012 27.148 1.00 30.06 C ATOM 273 O LYS A 798 20.286 -18.003 27.184 1.00 27.93 O ATOM 274 CB LYS A 798 19.105 -20.428 26.278 1.00 33.75 C ATOM 275 CG LYS A 798 18.427 -21.796 26.265 1.00 34.31 C ATOM 276 CD LYS A 798 17.849 -22.203 27.600 1.00 37.40 C ATOM 277 CE LYS A 798 17.088 -23.515 27.566 1.00 42.56 C ATOM 278 NZ LYS A 798 17.971 -24.668 27.259 1.00 43.44 N ATOM 279 HZ1 LYS A 798 18.413 -24.526 26.328 1.00 0.00 H ATOM 280 HZ2 LYS A 798 18.710 -24.741 27.988 1.00 0.00 H ATOM 281 HZ3 LYS A 798 17.407 -25.542 27.247 1.00 0.00 H ATOM 282 H LYS A 798 16.226 -19.333 26.006 1.00 0.00 H ATOM 283 N THR A 799 18.299 -16.930 27.425 1.00 28.55 N ATOM 284 CA THR A 799 18.864 -15.604 27.700 1.00 26.87 C ATOM 285 C THR A 799 18.044 -14.909 28.795 1.00 29.76 C ATOM 286 O THR A 799 16.829 -14.795 28.704 1.00 30.75 O ATOM 287 CB THR A 799 18.850 -14.703 26.455 1.00 26.85 C ATOM 288 OG1 THR A 799 19.613 -15.274 25.389 1.00 30.70 O ATOM 289 CG2 THR A 799 19.426 -13.328 26.701 1.00 27.15 C ATOM 290 HG1 THR A 799 19.230 -16.154 25.145 1.00 0.00 H ATOM 291 H THR A 799 17.265 -17.037 27.446 1.00 0.00 H ATOM 292 N ASP A 800 18.734 -14.374 29.806 1.00 27.37 N ATOM 293 CA ASP A 800 18.033 -13.557 30.804 1.00 27.20 C ATOM 294 C ASP A 800 17.796 -12.171 30.208 1.00 26.22 C ATOM 295 O ASP A 800 18.723 -11.602 29.630 1.00 26.45 O ATOM 296 CB ASP A 800 18.841 -13.461 32.091 1.00 30.51 C ATOM 297 CG ASP A 800 18.108 -12.711 33.181 1.00 35.21 C ATOM 298 OD1 ASP A 800 17.106 -13.243 33.690 1.00 36.45 O ATOM 299 OD2 ASP A 800 18.513 -11.571 33.471 1.00 40.95 O ATOM 300 H ASP A 800 19.758 -14.535 29.885 1.00 0.00 H ATOM 301 N ILE A 801 16.558 -11.655 30.291 1.00 25.39 N ATOM 302 CA ILE A 801 16.260 -10.360 29.725 1.00 24.45 C ATOM 303 C ILE A 801 15.619 -9.487 30.807 1.00 27.45 C ATOM 304 O ILE A 801 14.651 -9.862 31.465 1.00 29.50 O ATOM 305 CB ILE A 801 15.337 -10.458 28.495 1.00 24.85 C ATOM 306 CG1 ILE A 801 15.901 -11.395 27.430 1.00 27.57 C ATOM 307 CG2 ILE A 801 15.030 -9.078 27.929 1.00 24.98 C ATOM 308 CD1 ILE A 801 14.907 -11.715 26.325 1.00 31.68 C ATOM 309 H ILE A 801 15.807 -12.194 30.768 1.00 0.00 H ATOM 310 N LYS A 802 16.203 -8.306 31.007 1.00 26.80 N ATOM 311 CA LYS A 802 15.715 -7.373 32.028 1.00 29.05 C ATOM 312 C LYS A 802 15.474 -6.018 31.371 1.00 28.60 C ATOM 313 O LYS A 802 16.256 -5.583 30.535 1.00 28.19 O ATOM 314 CB LYS A 802 16.725 -7.199 33.164 1.00 32.47 C ATOM 315 CG LYS A 802 16.987 -8.454 33.980 1.00 39.62 C ATOM 316 CD LYS A 802 17.980 -8.237 35.099 1.00 46.21 C ATOM 317 CE LYS A 802 18.119 -9.454 35.991 1.00 52.18 C ATOM 318 NZ LYS A 802 18.744 -9.110 37.292 1.00 57.24 N ATOM 319 HZ1 LYS A 802 19.691 -8.714 37.126 1.00 0.00 H ATOM 320 HZ2 LYS A 802 18.155 -8.408 37.783 1.00 0.00 H ATOM 321 HZ3 LYS A 802 18.822 -9.968 37.875 1.00 0.00 H ATOM 322 H LYS A 802 17.023 -8.040 30.426 1.00 0.00 H ATOM 323 N VAL A 803 14.377 -5.367 31.755 1.00 29.24 N ATOM 324 CA VAL A 803 14.121 -3.993 31.294 1.00 30.18 C ATOM 325 C VAL A 803 15.033 -3.036 32.069 1.00 30.42 C ATOM 326 O VAL A 803 15.036 -3.057 33.296 1.00 31.57 O ATOM 327 CB VAL A 803 12.647 -3.579 31.482 1.00 35.57 C ATOM 328 CG1 VAL A 803 12.404 -2.166 30.966 1.00 39.55 C ATOM 329 CG2 VAL A 803 11.692 -4.561 30.834 1.00 37.59 C ATOM 330 H VAL A 803 13.695 -5.834 32.386 1.00 0.00 H ATOM 331 N VAL A 804 15.733 -2.151 31.352 1.00 28.36 N ATOM 332 CA VAL A 804 16.555 -1.096 31.973 1.00 29.62 C ATOM 333 C VAL A 804 15.613 0.077 32.280 1.00 34.14 C ATOM 334 O VAL A 804 14.882 0.498 31.405 1.00 35.11 O ATOM 335 CB VAL A 804 17.725 -0.683 31.067 1.00 29.85 C ATOM 336 CG1 VAL A 804 18.479 0.517 31.614 1.00 29.94 C ATOM 337 CG2 VAL A 804 18.685 -1.842 30.831 1.00 28.55 C ATOM 338 H VAL A 804 15.696 -2.209 30.314 1.00 0.00 H ATOM 339 N ASP A 805 15.636 0.548 33.529 1.00 34.60 N ATOM 340 CA ASP A 805 14.813 1.662 34.002 1.00 41.37 C ATOM 341 C ASP A 805 15.190 2.909 33.180 1.00 39.88 C ATOM 342 O ASP A 805 16.370 3.179 32.982 1.00 35.53 O ATOM 343 CB ASP A 805 15.070 1.931 35.489 1.00 41.32 C ATOM 344 CG ASP A 805 14.708 0.821 36.474 1.00 52.01 C ATOM 345 OD1 ASP A 805 13.762 0.058 36.188 1.00 57.65 O ATOM 346 OD2 ASP A 805 15.363 0.755 37.554 1.00 55.54 O ATOM 347 H ASP A 805 16.279 0.095 34.209 1.00 0.00 H ATOM 348 N ARG A 806 14.197 3.639 32.670 1.00 39.97 N ATOM 349 CA ARG A 806 14.462 4.851 31.869 1.00 42.74 C ATOM 350 C ARG A 806 15.293 5.849 32.692 1.00 42.05 C ATOM 351 O ARG A 806 16.154 6.544 32.148 1.00 41.53 O ATOM 352 CB ARG A 806 13.132 5.448 31.401 1.00 49.34 C ATOM 353 CG ARG A 806 13.275 6.625 30.445 1.00 57.30 C ATOM 354 CD ARG A 806 12.063 7.542 30.449 1.00 64.72 C ATOM 355 NE ARG A 806 12.280 8.752 31.236 1.00 68.50 N ATOM 356 CZ ARG A 806 12.178 8.832 32.562 1.00 70.47 C ATOM 357 NH1 ARG A 806 11.967 7.746 33.284 1.00 69.86 N ATOM 358 NH2 ARG A 806 12.274 10.004 33.166 1.00 76.68 N ATOM 359 HE ARG A 806 12.534 9.619 30.722 1.00 0.00 H ATOM 360 HH12 ARG A 806 11.889 7.817 34.319 1.00 0.00 H ATOM 361 HH11 ARG A 806 11.879 6.821 32.818 1.00 0.00 H ATOM 362 HH22 ARG A 806 12.194 10.064 34.201 1.00 0.00 H ATOM 363 HH21 ARG A 806 12.430 10.866 32.606 1.00 0.00 H ATOM 364 H ARG A 806 13.213 3.348 32.840 1.00 0.00 H ATOM 365 N ASP A 807 15.066 5.866 34.009 1.00 43.04 N ATOM 366 CA ASP A 807 15.595 6.869 34.933 1.00 51.17 C ATOM 367 C ASP A 807 17.108 6.697 35.160 1.00 49.60 C ATOM 368 O ASP A 807 17.772 7.614 35.630 1.00 59.93 O ATOM 369 CB ASP A 807 14.791 6.800 36.242 1.00 55.61 C ATOM 370 CG ASP A 807 15.239 7.728 37.358 1.00 64.32 C ATOM 371 OD1 ASP A 807 16.328 8.320 37.225 1.00 64.19 O ATOM 372 OD2 ASP A 807 14.481 7.849 38.368 1.00 60.71 O ATOM 373 H ASP A 807 14.470 5.111 34.406 1.00 0.00 H ATOM 374 N SER A 808 17.665 5.552 34.786 1.00 42.27 N ATOM 375 CA SER A 808 18.954 5.060 35.297 1.00 40.24 C ATOM 376 C SER A 808 20.143 5.655 34.539 1.00 44.75 C ATOM 377 O SER A 808 20.002 6.100 33.404 1.00 39.15 O ATOM 378 CB SER A 808 18.993 3.566 35.205 1.00 37.42 C ATOM 379 OG SER A 808 19.044 3.124 33.847 1.00 36.10 O ATOM 380 HG SER A 808 18.241 3.447 33.366 1.00 0.00 H ATOM 381 H SER A 808 17.160 4.967 34.090 1.00 0.00 H ATOM 382 N GLU A 809 21.327 5.541 35.151 1.00 46.15 N ATOM 383 CA GLU A 809 22.588 5.966 34.543 1.00 50.04 C ATOM 384 C GLU A 809 22.857 5.209 33.235 1.00 45.40 C ATOM 385 O GLU A 809 23.275 5.827 32.252 1.00 40.64 O ATOM 386 CB GLU A 809 23.755 5.787 35.516 1.00 57.91 C ATOM 387 CG GLU A 809 25.040 6.441 35.025 1.00 66.57 C ATOM 388 CD GLU A 809 26.025 6.885 36.098 1.00 74.85 C ATOM 389 OE1 GLU A 809 25.580 7.424 37.139 1.00 82.22 O ATOM 390 OE2 GLU A 809 27.242 6.700 35.884 1.00 81.70 O ATOM 391 H GLU A 809 21.352 5.130 36.106 1.00 0.00 H ATOM 392 N GLU A 810 22.662 3.882 33.228 1.00 38.68 N ATOM 393 CA GLU A 810 22.872 3.075 32.053 1.00 37.93 C ATOM 394 C GLU A 810 22.007 3.597 30.900 1.00 32.04 C ATOM 395 O GLU A 810 22.465 3.671 29.761 1.00 29.73 O ATOM 396 CB GLU A 810 22.476 1.615 32.279 1.00 42.37 C ATOM 397 CG GLU A 810 23.495 0.785 33.022 1.00 49.11 C ATOM 398 CD GLU A 810 22.912 -0.556 33.440 1.00 52.77 C ATOM 399 OE1 GLU A 810 22.044 -0.560 34.334 1.00 52.96 O ATOM 400 OE2 GLU A 810 23.293 -1.583 32.843 1.00 42.48 O ATOM 401 H GLU A 810 22.347 3.418 34.104 1.00 0.00 H ATOM 402 N ALA A 811 20.726 3.871 31.193 1.00 31.30 N ATOM 403 CA ALA A 811 19.814 4.313 30.151 1.00 31.79 C ATOM 404 C ALA A 811 20.271 5.669 29.594 1.00 31.87 C ATOM 405 O ALA A 811 20.223 5.863 28.370 1.00 30.75 O ATOM 406 CB ALA A 811 18.408 4.368 30.653 1.00 33.01 C ATOM 407 H ALA A 811 20.385 3.767 32.170 1.00 0.00 H ATOM 408 N GLU A 812 20.707 6.572 30.482 1.00 32.16 N ATOM 409 CA GLU A 812 21.185 7.924 30.082 1.00 36.05 C ATOM 410 C GLU A 812 22.377 7.806 29.127 1.00 32.83 C ATOM 411 O GLU A 812 22.453 8.471 28.069 1.00 33.90 O ATOM 412 CB GLU A 812 21.564 8.741 31.320 1.00 41.28 C ATOM 413 CG GLU A 812 20.367 9.154 32.155 1.00 51.02 C ATOM 414 CD GLU A 812 20.700 9.830 33.478 1.00 57.66 C ATOM 415 OE1 GLU A 812 21.902 10.074 33.735 1.00 61.79 O ATOM 416 OE2 GLU A 812 19.755 10.116 34.251 1.00 61.55 O ATOM 417 H GLU A 812 20.712 6.319 31.491 1.00 0.00 H ATOM 418 N ILE A 813 23.315 6.924 29.473 1.00 29.72 N ATOM 419 CA ILE A 813 24.493 6.684 28.652 1.00 30.17 C ATOM 420 C ILE A 813 24.085 6.109 27.285 1.00 29.79 C ATOM 421 O ILE A 813 24.631 6.506 26.233 1.00 29.32 O ATOM 422 CB ILE A 813 25.472 5.749 29.399 1.00 33.28 C ATOM 423 CG1 ILE A 813 26.142 6.490 30.556 1.00 38.47 C ATOM 424 CG2 ILE A 813 26.483 5.159 28.422 1.00 32.59 C ATOM 425 CD1 ILE A 813 26.927 5.613 31.502 1.00 41.32 C ATOM 426 H ILE A 813 23.201 6.390 30.358 1.00 0.00 H ATOM 427 N ILE A 814 23.208 5.100 27.284 1.00 28.35 N ATOM 428 CA ILE A 814 22.817 4.469 26.042 1.00 27.58 C ATOM 429 C ILE A 814 22.081 5.471 25.136 1.00 27.37 C ATOM 430 O ILE A 814 22.347 5.514 23.937 1.00 27.22 O ATOM 431 CB ILE A 814 22.030 3.176 26.306 1.00 27.07 C ATOM 432 CG1 ILE A 814 22.969 2.107 26.865 1.00 30.40 C ATOM 433 CG2 ILE A 814 21.315 2.701 25.053 1.00 28.38 C ATOM 434 CD1 ILE A 814 22.255 0.945 27.535 1.00 29.99 C ATOM 435 H ILE A 814 22.804 4.766 28.182 1.00 0.00 H ATOM 436 N ARG A 815 21.171 6.270 25.696 1.00 29.52 N ATOM 437 CA ARG A 815 20.442 7.259 24.879 1.00 31.63 C ATOM 438 C ARG A 815 21.423 8.276 24.295 1.00 31.08 C ATOM 439 O ARG A 815 21.249 8.716 23.165 1.00 31.33 O ATOM 440 CB ARG A 815 19.349 7.953 25.684 1.00 34.37 C ATOM 441 CG ARG A 815 18.121 7.099 25.969 1.00 36.30 C ATOM 442 CD ARG A 815 16.984 7.925 26.555 1.00 39.40 C ATOM 443 NE ARG A 815 17.321 8.670 27.769 1.00 43.07 N ATOM 444 CZ ARG A 815 17.132 8.234 29.020 1.00 45.00 C ATOM 445 NH1 ARG A 815 16.533 7.076 29.251 1.00 41.78 N ATOM 446 NH2 ARG A 815 17.552 8.961 30.039 1.00 49.72 N ATOM 447 HE ARG A 815 17.741 9.614 27.650 1.00 0.00 H ATOM 448 HH12 ARG A 815 16.392 6.749 30.228 1.00 0.00 H ATOM 449 HH11 ARG A 815 16.203 6.493 28.455 1.00 0.00 H ATOM 450 HH22 ARG A 815 17.407 8.625 31.012 1.00 0.00 H ATOM 451 HH21 ARG A 815 18.028 9.870 29.868 1.00 0.00 H ATOM 452 H ARG A 815 20.974 6.195 26.714 1.00 0.00 H ATOM 453 N LYS A 816 22.470 8.625 25.054 1.00 30.99 N ATOM 454 CA LYS A 816 23.472 9.581 24.560 1.00 32.65 C ATOM 455 C LYS A 816 24.269 8.957 23.406 1.00 29.07 C ATOM 456 O LYS A 816 24.605 9.647 22.437 1.00 29.53 O ATOM 457 CB LYS A 816 24.425 10.030 25.667 1.00 33.32 C ATOM 458 CG LYS A 816 25.347 11.173 25.271 1.00 38.22 C ATOM 459 CD LYS A 816 26.237 11.647 26.394 1.00 44.31 C ATOM 460 CE LYS A 816 27.049 12.862 26.006 1.00 50.78 C ATOM 461 NZ LYS A 816 27.275 13.747 27.171 1.00 54.80 N ATOM 462 HZ1 LYS A 816 26.359 14.065 27.546 1.00 0.00 H ATOM 463 HZ2 LYS A 816 27.790 13.224 27.908 1.00 0.00 H ATOM 464 HZ3 LYS A 816 27.835 14.572 26.875 1.00 0.00 H ATOM 465 H LYS A 816 22.575 8.215 26.004 1.00 0.00 H ATOM 466 N TYR A 817 24.584 7.659 23.520 1.00 26.68 N ATOM 467 CA TYR A 817 25.326 6.933 22.482 1.00 26.27 C ATOM 468 C TYR A 817 24.499 6.951 21.178 1.00 27.98 C ATOM 469 O TYR A 817 25.008 7.282 20.090 1.00 28.46 O ATOM 470 CB TYR A 817 25.653 5.527 22.998 1.00 27.35 C ATOM 471 CG TYR A 817 26.703 4.704 22.279 1.00 25.10 C ATOM 472 CD1 TYR A 817 27.459 5.174 21.216 1.00 24.87 C ATOM 473 CD2 TYR A 817 26.969 3.410 22.702 1.00 22.11 C ATOM 474 CE1 TYR A 817 28.448 4.414 20.604 1.00 23.87 C ATOM 475 CE2 TYR A 817 27.956 2.632 22.100 1.00 22.47 C ATOM 476 CZ TYR A 817 28.694 3.119 21.033 1.00 23.68 C ATOM 477 OH TYR A 817 29.663 2.342 20.435 1.00 24.36 O ATOM 478 HH TYR A 817 30.351 2.101 21.105 1.00 0.00 H ATOM 479 H TYR A 817 24.292 7.147 24.377 1.00 0.00 H ATOM 480 N VAL A 818 23.201 6.669 21.297 1.00 27.11 N ATOM 481 CA VAL A 818 22.304 6.706 20.136 1.00 28.61 C ATOM 482 C VAL A 818 22.253 8.134 19.550 1.00 31.25 C ATOM 483 O VAL A 818 22.333 8.311 18.333 1.00 31.49 O ATOM 484 CB VAL A 818 20.899 6.198 20.498 1.00 28.09 C ATOM 485 CG1 VAL A 818 19.912 6.401 19.365 1.00 31.37 C ATOM 486 CG2 VAL A 818 20.927 4.741 20.938 1.00 26.07 C ATOM 487 H VAL A 818 22.817 6.418 22.230 1.00 0.00 H ATOM 488 N LYS A 819 22.079 9.150 20.402 1.00 31.89 N ATOM 489 CA LYS A 819 21.914 10.524 19.917 1.00 32.86 C ATOM 490 C LYS A 819 23.183 10.988 19.182 1.00 33.82 C ATOM 491 O LYS A 819 23.104 11.628 18.113 1.00 35.13 O ATOM 492 CB LYS A 819 21.589 11.460 21.088 1.00 36.38 C ATOM 493 CG LYS A 819 21.497 12.951 20.764 1.00 42.81 C ATOM 494 CD LYS A 819 21.455 13.819 22.020 1.00 51.83 C ATOM 495 CE LYS A 819 20.062 14.111 22.540 1.00 59.68 C ATOM 496 NZ LYS A 819 19.664 15.516 22.275 1.00 65.37 N ATOM 497 HZ1 LYS A 819 20.332 16.159 22.745 1.00 0.00 H ATOM 498 HZ2 LYS A 819 19.676 15.691 21.250 1.00 0.00 H ATOM 499 HZ3 LYS A 819 18.706 15.679 22.645 1.00 0.00 H ATOM 500 H LYS A 819 22.060 8.963 21.425 1.00 0.00 H ATOM 501 N ASN A 820 24.342 10.749 19.785 1.00 29.94 N ATOM 502 CA ASN A 820 25.590 11.393 19.375 1.00 32.30 C ATOM 503 C ASN A 820 26.206 10.725 18.138 1.00 30.73 C ATOM 504 O ASN A 820 26.976 11.367 17.415 1.00 32.42 O ATOM 505 CB ASN A 820 26.619 11.417 20.506 1.00 34.30 C ATOM 506 CG ASN A 820 26.363 12.471 21.567 1.00 35.85 C ATOM 507 OD1 ASN A 820 25.418 13.267 21.490 1.00 38.53 O ATOM 508 ND2 ASN A 820 27.218 12.489 22.578 1.00 41.43 N ATOM 509 HD22 ASN A 820 28.000 11.805 22.610 1.00 0.00 H ATOM 510 HD21 ASN A 820 27.107 13.187 23.340 1.00 0.00 H ATOM 511 H ASN A 820 24.363 10.078 20.579 1.00 0.00 H ATOM 512 N THR A 821 25.890 9.456 17.875 1.00 30.30 N ATOM 513 CA THR A 821 26.664 8.701 16.862 1.00 29.12 C ATOM 514 C THR A 821 25.799 8.338 15.651 1.00 30.34 C ATOM 515 O THR A 821 26.137 7.394 14.900 1.00 29.53 O ATOM 516 CB THR A 821 27.378 7.471 17.446 1.00 27.76 C ATOM 517 OG1 THR A 821 26.456 6.425 17.764 1.00 26.79 O ATOM 518 CG2 THR A 821 28.240 7.841 18.640 1.00 27.39 C ATOM 519 HG1 THR A 821 25.804 6.754 18.432 1.00 0.00 H ATOM 520 H THR A 821 25.104 8.998 18.379 1.00 0.00 H ATOM 521 N HIS A 822 24.743 9.120 15.413 1.00 30.98 N ATOM 522 CA HIS A 822 23.999 9.011 14.166 1.00 33.85 C ATOM 523 C HIS A 822 24.780 9.775 13.089 1.00 34.18 C ATOM 524 O HIS A 822 24.953 10.990 13.206 1.00 37.91 O ATOM 525 CB HIS A 822 22.566 9.516 14.336 1.00 38.14 C ATOM 526 CG HIS A 822 21.680 9.137 13.197 1.00 37.91 C ATOM 527 ND1 HIS A 822 20.449 8.541 13.385 1.00 42.28 N ATOM 528 CD2 HIS A 822 21.851 9.248 11.863 1.00 37.90 C ATOM 529 CE1 HIS A 822 19.901 8.308 12.210 1.00 43.78 C ATOM 530 NE2 HIS A 822 20.746 8.729 11.256 1.00 37.33 N ATOM 531 H HIS A 822 24.448 9.816 16.127 1.00 0.00 H ATOM 532 N ALA A 823 25.236 9.065 12.051 1.00 31.86 N ATOM 533 CA ALA A 823 26.083 9.653 11.003 1.00 32.76 C ATOM 534 C ALA A 823 25.312 10.676 10.152 1.00 35.35 C ATOM 535 O ALA A 823 24.124 10.519 9.885 1.00 35.85 O ATOM 536 CB ALA A 823 26.629 8.565 10.129 1.00 32.41 C ATOM 537 H ALA A 823 24.982 8.059 11.983 1.00 0.00 H ATOM 538 N THR A 824 26.033 11.700 9.679 1.00 39.31 N ATOM 539 CA THR A 824 25.416 12.779 8.890 1.00 41.07 C ATOM 540 C THR A 824 24.891 12.252 7.546 1.00 41.77 C ATOM 541 O THR A 824 23.937 12.811 7.007 1.00 44.93 O ATOM 542 CB THR A 824 26.380 13.959 8.687 1.00 47.93 C ATOM 543 OG1 THR A 824 27.495 13.528 7.903 1.00 46.48 O ATOM 544 CG2 THR A 824 26.860 14.549 9.996 1.00 50.72 C ATOM 545 HG1 THR A 824 27.963 12.794 8.373 1.00 0.00 H ATOM 546 H THR A 824 27.054 11.734 9.874 1.00 0.00 H ATOM 547 N THR A 825 25.523 11.214 6.989 1.00 40.39 N ATOM 548 CA THR A 825 25.150 10.682 5.682 1.00 40.17 C ATOM 549 C THR A 825 24.014 9.649 5.784 1.00 42.04 C ATOM 550 O THR A 825 23.520 9.211 4.754 1.00 41.26 O ATOM 551 CB THR A 825 26.340 10.056 4.944 1.00 40.12 C ATOM 552 OG1 THR A 825 26.767 8.874 5.620 1.00 38.17 O ATOM 553 CG2 THR A 825 27.501 11.015 4.795 1.00 42.90 C ATOM 554 HG1 THR A 825 27.040 9.104 6.543 1.00 0.00 H ATOM 555 H THR A 825 26.309 10.770 7.506 1.00 0.00 H ATOM 556 N HIS A 826 23.582 9.286 7.001 1.00 37.92 N ATOM 557 CA HIS A 826 22.471 8.347 7.175 1.00 37.51 C ATOM 558 C HIS A 826 21.192 9.140 7.487 1.00 38.89 C ATOM 559 O HIS A 826 20.604 9.004 8.563 1.00 39.76 O ATOM 560 CB HIS A 826 22.824 7.287 8.237 1.00 34.25 C ATOM 561 CG HIS A 826 23.998 6.439 7.876 1.00 34.34 C ATOM 562 ND1 HIS A 826 24.795 5.844 8.827 1.00 30.99 N ATOM 563 CD2 HIS A 826 24.520 6.098 6.679 1.00 33.13 C ATOM 564 CE1 HIS A 826 25.775 5.185 8.229 1.00 33.61 C ATOM 565 NE2 HIS A 826 25.617 5.311 6.917 1.00 32.45 N ATOM 566 H HIS A 826 24.048 9.681 7.843 1.00 0.00 H ATOM 567 N ASN A 827 20.751 9.946 6.517 1.00 43.05 N ATOM 568 CA ASN A 827 19.790 11.026 6.765 1.00 44.54 C ATOM 569 C ASN A 827 18.377 10.618 6.325 1.00 46.39 C ATOM 570 O ASN A 827 17.471 11.440 6.380 1.00 51.90 O ATOM 571 CB ASN A 827 20.240 12.343 6.113 1.00 49.88 C ATOM 572 CG ASN A 827 20.388 12.260 4.609 1.00 51.33 C ATOM 573 OD1 ASN A 827 20.624 11.192 4.062 1.00 52.99 O ATOM 574 ND2 ASN A 827 20.238 13.382 3.923 1.00 57.86 N ATOM 575 HD22 ASN A 827 20.038 14.273 4.421 1.00 0.00 H ATOM 576 HD21 ASN A 827 20.320 13.373 2.886 1.00 0.00 H ATOM 577 H ASN A 827 21.103 9.802 5.549 1.00 0.00 H ATOM 578 N ALA A 828 18.171 9.360 5.918 1.00 43.21 N ATOM 579 CA ALA A 828 16.812 8.890 5.521 1.00 46.91 C ATOM 580 C ALA A 828 15.888 8.714 6.735 1.00 45.35 C ATOM 581 O ALA A 828 14.660 8.654 6.559 1.00 46.79 O ATOM 582 CB ALA A 828 16.908 7.595 4.757 1.00 49.52 C ATOM 583 H ALA A 828 18.972 8.698 5.878 1.00 0.00 H ATOM 584 N TYR A 829 16.456 8.607 7.946 1.00 41.85 N ATOM 585 CA TYR A 829 15.652 8.387 9.148 1.00 42.02 C ATOM 586 C TYR A 829 16.326 8.996 10.385 1.00 41.69 C ATOM 587 O TYR A 829 17.526 9.238 10.398 1.00 40.35 O ATOM 588 CB TYR A 829 15.423 6.885 9.351 1.00 41.32 C ATOM 589 CG TYR A 829 16.685 6.093 9.563 1.00 39.50 C ATOM 590 CD1 TYR A 829 17.278 6.021 10.813 1.00 37.45 C ATOM 591 CD2 TYR A 829 17.312 5.457 8.507 1.00 38.82 C ATOM 592 CE1 TYR A 829 18.470 5.347 11.003 1.00 37.29 C ATOM 593 CE2 TYR A 829 18.491 4.759 8.684 1.00 39.70 C ATOM 594 CZ TYR A 829 19.072 4.702 9.938 1.00 36.84 C ATOM 595 OH TYR A 829 20.229 4.012 10.111 1.00 35.11 O ATOM 596 HH TYR A 829 20.933 4.401 9.534 1.00 0.00 H ATOM 597 H TYR A 829 17.490 8.682 8.032 1.00 0.00 H ATOM 598 N ASP A 830 15.513 9.241 11.421 1.00 43.17 N ATOM 599 CA ASP A 830 15.987 9.504 12.780 1.00 43.39 C ATOM 600 C ASP A 830 15.589 8.312 13.656 1.00 40.91 C ATOM 601 O ASP A 830 14.672 7.578 13.312 1.00 41.25 O ATOM 602 CB ASP A 830 15.430 10.815 13.343 1.00 47.45 C ATOM 603 CG ASP A 830 16.420 11.965 13.260 1.00 51.04 C ATOM 604 OD1 ASP A 830 17.474 11.886 13.929 1.00 52.76 O ATOM 605 OD2 ASP A 830 16.142 12.914 12.514 1.00 50.29 O ATOM 606 H ASP A 830 14.487 9.244 11.250 1.00 0.00 H ATOM 607 N LEU A 831 16.289 8.140 14.782 1.00 38.73 N ATOM 608 CA LEU A 831 16.072 7.017 15.700 1.00 37.58 C ATOM 609 C LEU A 831 15.488 7.517 17.018 1.00 40.80 C ATOM 610 O LEU A 831 15.908 8.552 17.525 1.00 44.54 O ATOM 611 CB LEU A 831 17.409 6.325 15.961 1.00 34.12 C ATOM 612 CG LEU A 831 18.008 5.645 14.735 1.00 33.83 C ATOM 613 CD1 LEU A 831 19.403 5.144 15.036 1.00 34.35 C ATOM 614 CD2 LEU A 831 17.111 4.511 14.259 1.00 35.23 C ATOM 615 H LEU A 831 17.024 8.837 15.019 1.00 0.00 H ATOM 616 N GLU A 832 14.557 6.725 17.558 1.00 40.53 N ATOM 617 CA GLU A 832 13.968 6.904 18.868 1.00 40.04 C ATOM 618 C GLU A 832 14.100 5.572 19.615 1.00 39.69 C ATOM 619 O GLU A 832 13.715 4.534 19.069 1.00 35.35 O ATOM 620 CB GLU A 832 12.505 7.308 18.718 1.00 45.21 C ATOM 621 CG GLU A 832 11.730 7.348 20.022 1.00 50.71 C ATOM 622 CD GLU A 832 10.330 7.918 19.870 1.00 61.18 C ATOM 623 OE1 GLU A 832 10.016 8.434 18.768 1.00 67.22 O ATOM 624 OE2 GLU A 832 9.555 7.843 20.849 1.00 67.76 O ATOM 625 H GLU A 832 14.230 5.916 16.992 1.00 0.00 H ATOM 626 N VAL A 833 14.675 5.605 20.825 1.00 37.45 N ATOM 627 CA VAL A 833 14.778 4.396 21.659 1.00 35.28 C ATOM 628 C VAL A 833 13.419 4.141 22.324 1.00 37.18 C ATOM 629 O VAL A 833 12.912 4.993 23.054 1.00 40.08 O ATOM 630 CB VAL A 833 15.901 4.517 22.706 1.00 37.20 C ATOM 631 CG1 VAL A 833 15.984 3.283 23.589 1.00 38.64 C ATOM 632 CG2 VAL A 833 17.243 4.777 22.053 1.00 39.07 C ATOM 633 H VAL A 833 15.057 6.504 21.183 1.00 0.00 H ATOM 634 N ILE A 834 12.822 2.975 22.049 1.00 33.82 N ATOM 635 CA ILE A 834 11.570 2.593 22.653 1.00 36.71 C ATOM 636 C ILE A 834 11.836 1.925 24.004 1.00 33.28 C ATOM 637 O ILE A 834 11.283 2.359 25.000 1.00 35.93 O ATOM 638 CB ILE A 834 10.742 1.677 21.733 1.00 36.17 C ATOM 639 CG1 ILE A 834 10.484 2.355 20.386 1.00 39.46 C ATOM 640 CG2 ILE A 834 9.453 1.253 22.431 1.00 39.45 C ATOM 641 CD1 ILE A 834 9.495 1.628 19.510 1.00 46.94 C ATOM 642 H ILE A 834 13.276 2.323 21.378 1.00 0.00 H ATOM 643 N ASP A 835 12.635 0.850 23.991 1.00 31.82 N ATOM 644 CA ASP A 835 12.952 0.040 25.186 1.00 31.39 C ATOM 645 C ASP A 835 14.427 -0.364 25.138 1.00 30.86 C ATOM 646 O ASP A 835 14.958 -0.573 24.052 1.00 29.50 O ATOM 647 CB ASP A 835 12.151 -1.265 25.247 1.00 32.81 C ATOM 648 CG ASP A 835 10.657 -1.100 25.441 1.00 41.64 C ATOM 649 OD1 ASP A 835 10.250 -0.425 26.422 1.00 45.26 O ATOM 650 OD2 ASP A 835 9.904 -1.637 24.590 1.00 45.33 O ATOM 651 H ASP A 835 13.058 0.568 23.084 1.00 0.00 H ATOM 652 N ILE A 836 15.050 -0.431 26.321 1.00 28.92 N ATOM 653 CA ILE A 836 16.414 -0.900 26.487 1.00 26.45 C ATOM 654 C ILE A 836 16.344 -2.119 27.403 1.00 25.39 C ATOM 655 O ILE A 836 15.746 -2.032 28.494 1.00 26.71 O ATOM 656 CB ILE A 836 17.320 0.177 27.112 1.00 29.24 C ATOM 657 CG1 ILE A 836 17.276 1.495 26.329 1.00 33.14 C ATOM 658 CG2 ILE A 836 18.732 -0.365 27.286 1.00 28.68 C ATOM 659 CD1 ILE A 836 17.872 2.684 27.059 1.00 34.09 C ATOM 660 H ILE A 836 14.528 -0.130 27.169 1.00 0.00 H ATOM 661 N PHE A 837 16.949 -3.226 26.970 1.00 24.19 N ATOM 662 CA PHE A 837 16.997 -4.437 27.735 1.00 23.77 C ATOM 663 C PHE A 837 18.450 -4.788 28.042 1.00 25.22 C ATOM 664 O PHE A 837 19.311 -4.647 27.158 1.00 26.78 O ATOM 665 CB PHE A 837 16.366 -5.593 26.960 1.00 26.48 C ATOM 666 CG PHE A 837 14.943 -5.336 26.524 1.00 25.61 C ATOM 667 CD1 PHE A 837 13.882 -5.593 27.365 1.00 26.61 C ATOM 668 CD2 PHE A 837 14.664 -4.831 25.259 1.00 28.12 C ATOM 669 CE1 PHE A 837 12.577 -5.394 26.948 1.00 27.33 C ATOM 670 CE2 PHE A 837 13.356 -4.609 24.855 1.00 28.34 C ATOM 671 CZ PHE A 837 12.314 -4.876 25.700 1.00 29.34 C ATOM 672 H PHE A 837 17.406 -3.210 26.036 1.00 0.00 H ATOM 673 N LYS A 838 18.678 -5.306 29.254 1.00 23.86 N ATOM 674 CA LYS A 838 19.969 -5.855 29.599 1.00 26.12 C ATOM 675 C LYS A 838 19.875 -7.368 29.423 1.00 25.68 C ATOM 676 O LYS A 838 18.889 -7.961 29.872 1.00 27.23 O ATOM 677 CB LYS A 838 20.368 -5.486 31.031 1.00 27.25 C ATOM 678 CG LYS A 838 21.816 -5.819 31.375 1.00 34.19 C ATOM 679 CD LYS A 838 22.231 -5.365 32.774 1.00 42.72 C ATOM 680 CE LYS A 838 23.739 -5.284 32.929 1.00 50.28 C ATOM 681 NZ LYS A 838 24.121 -4.413 34.066 1.00 57.80 N ATOM 682 HZ1 LYS A 838 23.754 -3.454 33.905 1.00 0.00 H ATOM 683 HZ2 LYS A 838 23.719 -4.796 34.945 1.00 0.00 H ATOM 684 HZ3 LYS A 838 25.158 -4.380 34.143 1.00 0.00 H ATOM 685 H LYS A 838 17.914 -5.314 29.959 1.00 0.00 H ATOM 686 N ILE A 839 20.849 -7.979 28.740 1.00 23.60 N ATOM 687 CA ILE A 839 20.741 -9.404 28.409 1.00 24.21 C ATOM 688 C ILE A 839 21.969 -10.155 28.912 1.00 26.08 C ATOM 689 O ILE A 839 23.091 -9.635 28.945 1.00 25.64 O ATOM 690 CB ILE A 839 20.518 -9.599 26.900 1.00 25.31 C ATOM 691 CG1 ILE A 839 21.597 -8.895 26.076 1.00 25.04 C ATOM 692 CG2 ILE A 839 19.113 -9.143 26.516 1.00 27.47 C ATOM 693 CD1 ILE A 839 21.603 -9.260 24.600 1.00 28.72 C ATOM 694 H ILE A 839 21.688 -7.441 28.442 1.00 0.00 H ATOM 695 N GLU A 840 21.730 -11.407 29.314 1.00 24.23 N ATOM 696 CA GLU A 840 22.816 -12.333 29.701 1.00 26.69 C ATOM 697 C GLU A 840 22.507 -13.715 29.115 1.00 25.25 C ATOM 698 O GLU A 840 21.623 -14.413 29.611 1.00 26.72 O ATOM 699 CB GLU A 840 22.950 -12.438 31.217 1.00 31.83 C ATOM 700 CG GLU A 840 24.099 -13.337 31.677 1.00 37.37 C ATOM 701 CD GLU A 840 25.497 -12.737 31.693 1.00 48.44 C ATOM 702 OE1 GLU A 840 25.610 -11.505 31.531 1.00 48.15 O ATOM 703 OE2 GLU A 840 26.482 -13.502 31.933 1.00 46.62 O ATOM 704 H GLU A 840 20.746 -11.742 29.356 1.00 0.00 H ATOM 705 N ARG A 841 23.245 -14.098 28.064 1.00 25.71 N ATOM 706 CA ARG A 841 23.049 -15.421 27.457 1.00 26.88 C ATOM 707 C ARG A 841 23.606 -16.490 28.397 1.00 27.53 C ATOM 708 O ARG A 841 24.670 -16.320 28.976 1.00 28.91 O ATOM 709 CB ARG A 841 23.750 -15.539 26.102 1.00 26.00 C ATOM 710 CG ARG A 841 23.224 -14.612 25.017 1.00 27.00 C ATOM 711 CD ARG A 841 23.950 -14.846 23.705 1.00 29.51 C ATOM 712 NE ARG A 841 23.813 -16.217 23.254 1.00 31.85 N ATOM 713 CZ ARG A 841 24.768 -17.152 23.327 1.00 32.78 C ATOM 714 NH1 ARG A 841 26.023 -16.814 23.591 1.00 34.50 N ATOM 715 NH2 ARG A 841 24.448 -18.429 23.174 1.00 34.31 N ATOM 716 HE ARG A 841 22.900 -16.496 22.841 1.00 0.00 H ATOM 717 HH12 ARG A 841 26.758 -17.547 23.646 1.00 0.00 H ATOM 718 HH11 ARG A 841 26.272 -15.816 23.743 1.00 0.00 H ATOM 719 HH22 ARG A 841 25.185 -19.160 23.230 1.00 0.00 H ATOM 720 HH21 ARG A 841 23.459 -18.700 22.998 1.00 0.00 H ATOM 721 H ARG A 841 23.962 -13.453 27.675 1.00 0.00 H ATOM 722 N GLU A 842 22.904 -17.613 28.485 1.00 27.27 N ATOM 723 CA GLU A 842 23.371 -18.784 29.217 1.00 30.45 C ATOM 724 C GLU A 842 24.764 -19.189 28.712 1.00 30.02 C ATOM 725 O GLU A 842 24.997 -19.227 27.513 1.00 30.61 O ATOM 726 CB GLU A 842 22.365 -19.916 29.021 1.00 33.83 C ATOM 727 CG GLU A 842 22.752 -21.193 29.720 1.00 40.21 C ATOM 728 CD GLU A 842 21.616 -22.200 29.738 1.00 49.38 C ATOM 729 OE1 GLU A 842 21.479 -22.942 28.745 1.00 52.83 O ATOM 730 OE2 GLU A 842 20.864 -22.224 30.741 1.00 59.16 O ATOM 731 H GLU A 842 21.980 -17.660 28.011 1.00 0.00 H ATOM 732 N GLY A 843 25.699 -19.417 29.646 1.00 32.86 N ATOM 733 CA GLY A 843 27.075 -19.804 29.318 1.00 34.02 C ATOM 734 C GLY A 843 28.022 -18.685 28.898 1.00 36.12 C ATOM 735 O GLY A 843 29.218 -18.926 28.715 1.00 32.94 O ATOM 736 H GLY A 843 25.437 -19.315 30.647 1.00 0.00 H ATOM 737 N GLU A 844 27.536 -17.465 28.650 1.00 32.87 N ATOM 738 CA GLU A 844 28.438 -16.460 28.055 1.00 32.55 C ATOM 739 C GLU A 844 29.492 -16.023 29.090 1.00 33.72 C ATOM 740 O GLU A 844 30.646 -15.759 28.694 1.00 34.85 O ATOM 741 CB GLU A 844 27.658 -15.322 27.370 1.00 44.89 C ATOM 742 CG GLU A 844 28.177 -15.009 25.959 1.00 43.89 C ATOM 743 CD GLU A 844 27.416 -14.027 25.074 1.00 46.80 C ATOM 744 OE1 GLU A 844 27.121 -12.924 25.540 1.00 43.36 O ATOM 745 OE2 GLU A 844 27.198 -14.337 23.870 1.00 47.80 O ATOM 746 H GLU A 844 26.547 -17.230 28.871 1.00 0.00 H ATOM 747 N CYS A 845 29.170 -16.012 30.381 1.00 34.06 N ATOM 748 CA CYS A 845 30.161 -15.637 31.420 1.00 38.92 C ATOM 749 C CYS A 845 31.401 -16.545 31.339 1.00 35.93 C ATOM 750 O CYS A 845 32.513 -16.053 31.217 1.00 36.40 O ATOM 751 CB CYS A 845 29.568 -15.653 32.820 1.00 38.21 C ATOM 752 SG CYS A 845 30.732 -15.116 34.108 1.00 46.31 S ATOM 753 H CYS A 845 28.205 -16.271 30.668 1.00 0.00 H ATOM 754 N GLN A 846 31.196 -17.861 31.302 1.00 32.52 N ATOM 755 CA GLN A 846 32.315 -18.805 31.218 1.00 32.80 C ATOM 756 C GLN A 846 32.987 -18.762 29.834 1.00 30.42 C ATOM 757 O GLN A 846 34.203 -18.976 29.740 1.00 32.38 O ATOM 758 CB GLN A 846 31.853 -20.224 31.560 1.00 37.42 C ATOM 759 CG GLN A 846 31.533 -20.402 33.038 1.00 42.43 C ATOM 760 CD GLN A 846 31.329 -21.843 33.409 1.00 49.08 C ATOM 761 OE1 GLN A 846 32.271 -22.633 33.410 1.00 55.96 O ATOM 762 NE2 GLN A 846 30.098 -22.182 33.753 1.00 52.99 N ATOM 763 HE22 GLN A 846 29.338 -21.472 33.734 1.00 0.00 H ATOM 764 HE21 GLN A 846 29.889 -23.159 34.043 1.00 0.00 H ATOM 765 H GLN A 846 30.223 -18.226 31.333 1.00 0.00 H ATOM 766 N ARG A 847 32.224 -18.557 28.762 1.00 29.11 N ATOM 767 CA ARG A 847 32.832 -18.492 27.404 1.00 30.55 C ATOM 768 C ARG A 847 33.759 -17.275 27.260 1.00 30.61 C ATOM 769 O ARG A 847 34.776 -17.326 26.580 1.00 31.54 O ATOM 770 CB ARG A 847 31.775 -18.449 26.297 1.00 31.97 C ATOM 771 CG ARG A 847 32.354 -18.644 24.901 1.00 36.40 C ATOM 772 CD ARG A 847 31.270 -18.756 23.835 1.00 37.03 C ATOM 773 NE ARG A 847 30.604 -17.489 23.568 1.00 35.16 N ATOM 774 CZ ARG A 847 29.833 -17.255 22.514 1.00 33.81 C ATOM 775 NH1 ARG A 847 29.518 -18.246 21.699 1.00 35.64 N ATOM 776 NH2 ARG A 847 29.394 -16.027 22.287 1.00 34.25 N ATOM 777 HE ARG A 847 30.742 -16.715 24.249 1.00 0.00 H ATOM 778 HH12 ARG A 847 28.914 -18.067 20.872 1.00 0.00 H ATOM 779 HH11 ARG A 847 29.874 -19.205 21.885 1.00 0.00 H ATOM 780 HH22 ARG A 847 28.789 -15.835 21.463 1.00 0.00 H ATOM 781 HH21 ARG A 847 29.654 -15.254 22.933 1.00 0.00 H ATOM 782 H ARG A 847 31.197 -18.441 28.874 1.00 0.00 H ATOM 783 N TYR A 848 33.342 -16.144 27.843 1.00 31.97 N ATOM 784 CA TYR A 848 34.009 -14.857 27.625 1.00 30.06 C ATOM 785 C TYR A 848 35.220 -14.751 28.555 1.00 33.14 C ATOM 786 O TYR A 848 36.093 -13.948 28.342 1.00 33.04 O ATOM 787 CB TYR A 848 33.005 -13.717 27.841 1.00 28.32 C ATOM 788 CG TYR A 848 33.518 -12.333 27.546 1.00 27.74 C ATOM 789 CD1 TYR A 848 33.906 -11.979 26.252 1.00 27.69 C ATOM 790 CD2 TYR A 848 33.657 -11.385 28.558 1.00 29.16 C ATOM 791 CE1 TYR A 848 34.376 -10.706 25.950 1.00 29.22 C ATOM 792 CE2 TYR A 848 34.165 -10.122 28.268 1.00 28.93 C ATOM 793 CZ TYR A 848 34.525 -9.783 26.975 1.00 31.49 C ATOM 794 OH TYR A 848 35.031 -8.546 26.655 1.00 30.32 O ATOM 795 HH TYR A 848 34.368 -7.849 26.888 1.00 0.00 H ATOM 796 H TYR A 848 32.515 -16.180 28.473 1.00 0.00 H ATOM 797 N LYS A 849 35.220 -15.562 29.610 1.00 34.95 N ATOM 798 CA LYS A 849 36.193 -15.537 30.686 1.00 41.34 C ATOM 799 C LYS A 849 37.619 -15.352 30.164 1.00 41.59 C ATOM 800 O LYS A 849 38.320 -14.495 30.690 1.00 43.81 O ATOM 801 CB LYS A 849 36.023 -16.809 31.527 1.00 45.49 C ATOM 802 CG LYS A 849 36.928 -16.934 32.738 1.00 53.31 C ATOM 803 CD LYS A 849 36.719 -18.249 33.455 1.00 53.42 C ATOM 804 CE LYS A 849 35.470 -18.263 34.308 1.00 58.99 C ATOM 805 NZ LYS A 849 35.336 -19.532 35.065 1.00 65.34 N ATOM 806 HZ1 LYS A 849 35.286 -20.328 34.398 1.00 0.00 H ATOM 807 HZ2 LYS A 849 36.160 -19.651 35.688 1.00 0.00 H ATOM 808 HZ3 LYS A 849 34.468 -19.503 35.637 1.00 0.00 H ATOM 809 H LYS A 849 34.461 -16.271 29.668 1.00 0.00 H ATOM 810 N PRO A 850 38.105 -16.115 29.150 1.00 42.02 N ATOM 811 CA PRO A 850 39.475 -15.970 28.657 1.00 42.17 C ATOM 812 C PRO A 850 39.841 -14.596 28.068 1.00 44.09 C ATOM 813 O PRO A 850 41.021 -14.287 27.918 1.00 50.64 O ATOM 814 CB PRO A 850 39.571 -16.964 27.484 1.00 48.09 C ATOM 815 CG PRO A 850 38.457 -17.955 27.729 1.00 50.99 C ATOM 816 CD PRO A 850 37.369 -17.158 28.416 1.00 45.67 C ATOM 817 N PHE A 851 38.829 -13.814 27.689 1.00 34.14 N ATOM 818 CA PHE A 851 39.037 -12.501 27.074 1.00 34.43 C ATOM 819 C PHE A 851 38.672 -11.358 28.028 1.00 36.97 C ATOM 820 O PHE A 851 38.908 -10.181 27.711 1.00 39.10 O ATOM 821 CB PHE A 851 38.203 -12.431 25.795 1.00 32.41 C ATOM 822 CG PHE A 851 38.693 -13.375 24.734 1.00 37.93 C ATOM 823 CD1 PHE A 851 39.866 -13.101 24.049 1.00 42.03 C ATOM 824 CD2 PHE A 851 37.991 -14.528 24.410 1.00 39.79 C ATOM 825 CE1 PHE A 851 40.341 -13.968 23.077 1.00 43.30 C ATOM 826 CE2 PHE A 851 38.466 -15.383 23.425 1.00 38.78 C ATOM 827 CZ PHE A 851 39.631 -15.100 22.758 1.00 42.17 C ATOM 828 H PHE A 851 37.856 -14.149 27.836 1.00 0.00 H ATOM 829 N LYS A 852 38.071 -11.699 29.174 1.00 37.86 N ATOM 830 CA LYS A 852 37.484 -10.727 30.082 1.00 42.01 C ATOM 831 C LYS A 852 38.563 -9.782 30.617 1.00 43.37 C ATOM 832 O LYS A 852 38.223 -8.660 30.994 1.00 47.56 O ATOM 833 CB LYS A 852 36.764 -11.429 31.239 1.00 52.02 C ATOM 834 CG LYS A 852 36.089 -10.513 32.256 1.00 55.21 C ATOM 835 CD LYS A 852 34.986 -9.653 31.684 1.00 55.79 C ATOM 836 CE LYS A 852 34.388 -8.696 32.697 1.00 63.21 C ATOM 837 NZ LYS A 852 33.878 -9.400 33.894 1.00 67.48 N ATOM 838 HZ1 LYS A 852 33.139 -10.075 33.609 1.00 0.00 H ATOM 839 HZ2 LYS A 852 34.659 -9.912 34.353 1.00 0.00 H ATOM 840 HZ3 LYS A 852 33.479 -8.707 34.559 1.00 0.00 H ATOM 841 H LYS A 852 38.021 -12.707 29.427 1.00 0.00 H ATOM 842 N GLN A 853 39.830 -10.232 30.621 1.00 39.24 N ATOM 843 CA GLN A 853 40.953 -9.462 31.137 1.00 43.19 C ATOM 844 C GLN A 853 41.778 -8.806 30.012 1.00 41.40 C ATOM 845 O GLN A 853 42.670 -8.027 30.311 1.00 43.55 O ATOM 846 CB GLN A 853 41.876 -10.361 31.964 1.00 50.92 C ATOM 847 CG GLN A 853 41.136 -11.198 33.003 1.00 56.66 C ATOM 848 CD GLN A 853 42.072 -11.856 33.986 1.00 64.76 C ATOM 849 OE1 GLN A 853 42.790 -11.191 34.731 1.00 76.52 O ATOM 850 NE2 GLN A 853 42.068 -13.180 34.002 1.00 69.52 N ATOM 851 HE22 GLN A 853 41.446 -13.706 33.356 1.00 0.00 H ATOM 852 HE21 GLN A 853 42.687 -13.694 34.661 1.00 0.00 H ATOM 853 H GLN A 853 40.018 -11.179 30.235 1.00 0.00 H ATOM 854 N LEU A 854 41.508 -9.131 28.739 1.00 38.28 N ATOM 855 CA LEU A 854 42.216 -8.498 27.598 1.00 34.85 C ATOM 856 C LEU A 854 41.949 -6.989 27.634 1.00 34.93 C ATOM 857 O LEU A 854 40.896 -6.521 28.032 1.00 34.74 O ATOM 858 CB LEU A 854 41.722 -9.139 26.293 1.00 35.51 C ATOM 859 CG LEU A 854 42.435 -8.758 24.999 1.00 34.40 C ATOM 860 CD1 LEU A 854 43.899 -9.181 25.004 1.00 38.43 C ATOM 861 CD2 LEU A 854 41.720 -9.390 23.803 1.00 33.52 C ATOM 862 H LEU A 854 40.780 -9.848 28.545 1.00 0.00 H ATOM 863 N HIS A 855 42.941 -6.210 27.209 1.00 32.86 N ATOM 864 CA HIS A 855 42.799 -4.755 27.134 1.00 33.56 C ATOM 865 C HIS A 855 41.883 -4.371 25.965 1.00 31.14 C ATOM 866 O HIS A 855 41.605 -5.167 25.057 1.00 30.26 O ATOM 867 CB HIS A 855 44.188 -4.103 27.028 1.00 33.82 C ATOM 868 CG HIS A 855 44.918 -4.480 25.783 1.00 33.18 C ATOM 869 ND1 HIS A 855 45.533 -5.710 25.646 1.00 37.99 N ATOM 870 CD2 HIS A 855 45.158 -3.804 24.641 1.00 35.27 C ATOM 871 CE1 HIS A 855 46.100 -5.786 24.458 1.00 36.14 C ATOM 872 NE2 HIS A 855 45.888 -4.639 23.821 1.00 35.23 N ATOM 873 H HIS A 855 43.841 -6.646 26.923 1.00 0.00 H ATOM 874 N ASN A 856 41.405 -3.127 25.979 1.00 28.87 N ATOM 875 CA ASN A 856 40.707 -2.554 24.857 1.00 27.54 C ATOM 876 C ASN A 856 39.385 -3.285 24.602 1.00 25.99 C ATOM 877 O ASN A 856 39.138 -3.839 23.510 1.00 27.78 O ATOM 878 CB ASN A 856 41.578 -2.546 23.598 1.00 29.24 C ATOM 879 CG ASN A 856 40.967 -1.759 22.468 1.00 29.51 C ATOM 880 OD1 ASN A 856 40.145 -0.864 22.689 1.00 32.59 O ATOM 881 ND2 ASN A 856 41.329 -2.107 21.243 1.00 27.81 N ATOM 882 HD22 ASN A 856 42.025 -2.867 21.103 1.00 0.00 H ATOM 883 HD21 ASN A 856 40.917 -1.621 20.421 1.00 0.00 H ATOM 884 H ASN A 856 41.541 -2.548 26.832 1.00 0.00 H ATOM 885 N ARG A 857 38.537 -3.295 25.629 1.00 25.17 N ATOM 886 CA ARG A 857 37.213 -3.847 25.553 1.00 24.70 C ATOM 887 C ARG A 857 36.248 -2.681 25.334 1.00 24.86 C ATOM 888 O ARG A 857 36.329 -1.703 26.077 1.00 26.40 O ATOM 889 CB ARG A 857 36.907 -4.599 26.850 1.00 26.67 C ATOM 890 CG ARG A 857 37.867 -5.753 27.099 1.00 29.92 C ATOM 891 CD ARG A 857 37.579 -6.563 28.346 1.00 32.63 C ATOM 892 NE ARG A 857 38.105 -5.835 29.485 1.00 42.69 N ATOM 893 CZ ARG A 857 37.384 -5.149 30.356 1.00 48.48 C ATOM 894 NH1 ARG A 857 36.073 -5.297 30.399 1.00 49.49 N ATOM 895 NH2 ARG A 857 37.992 -4.340 31.206 1.00 53.30 N ATOM 896 HE ARG A 857 39.135 -5.854 29.629 1.00 0.00 H ATOM 897 HH12 ARG A 857 35.511 -4.755 31.086 1.00 0.00 H ATOM 898 HH11 ARG A 857 35.602 -5.956 29.746 1.00 0.00 H ATOM 899 HH22 ARG A 857 37.435 -3.796 31.895 1.00 0.00 H ATOM 900 HH21 ARG A 857 39.028 -4.248 31.186 1.00 0.00 H ATOM 901 H ARG A 857 38.849 -2.882 26.531 1.00 0.00 H ATOM 902 N ARG A 858 35.407 -2.761 24.297 1.00 23.55 N ATOM 903 CA ARG A 858 34.613 -1.617 23.807 1.00 23.30 C ATOM 904 C ARG A 858 33.156 -2.031 23.643 1.00 23.09 C ATOM 905 O ARG A 858 32.885 -3.155 23.196 1.00 23.68 O ATOM 906 CB ARG A 858 35.201 -1.116 22.477 1.00 27.12 C ATOM 907 CG ARG A 858 34.981 0.351 22.161 1.00 36.32 C ATOM 908 CD ARG A 858 35.929 0.825 21.046 1.00 36.97 C ATOM 909 NE ARG A 858 37.350 0.876 21.409 1.00 38.36 N ATOM 910 CZ ARG A 858 38.322 1.366 20.620 1.00 40.31 C ATOM 911 NH1 ARG A 858 38.007 1.998 19.498 1.00 36.23 N ATOM 912 NH2 ARG A 858 39.596 1.247 20.953 1.00 39.81 N ATOM 913 HE ARG A 858 37.624 0.507 22.342 1.00 0.00 H ATOM 914 HH12 ARG A 858 38.758 2.378 18.887 1.00 0.00 H ATOM 915 HH11 ARG A 858 37.009 2.114 19.229 1.00 0.00 H ATOM 916 HH22 ARG A 858 40.334 1.632 20.330 1.00 0.00 H ATOM 917 HH21 ARG A 858 39.860 0.768 21.838 1.00 0.00 H ATOM 918 H ARG A 858 35.307 -3.675 23.811 1.00 0.00 H ATOM 919 N LEU A 859 32.241 -1.084 23.887 1.00 22.42 N ATOM 920 CA LEU A 859 30.822 -1.332 23.762 1.00 21.82 C ATOM 921 C LEU A 859 30.366 -0.833 22.392 1.00 23.39 C ATOM 922 O LEU A 859 30.368 0.382 22.150 1.00 24.03 O ATOM 923 CB LEU A 859 30.063 -0.631 24.888 1.00 23.08 C ATOM 924 CG LEU A 859 28.628 -1.118 25.066 1.00 24.47 C ATOM 925 CD1 LEU A 859 28.617 -2.493 25.711 1.00 23.50 C ATOM 926 CD2 LEU A 859 27.816 -0.134 25.891 1.00 26.99 C ATOM 927 H LEU A 859 32.562 -0.138 24.176 1.00 0.00 H ATOM 928 N LEU A 860 30.036 -1.787 21.515 1.00 21.29 N ATOM 929 CA LEU A 860 29.841 -1.510 20.100 1.00 22.06 C ATOM 930 C LEU A 860 28.495 -2.056 19.617 1.00 23.12 C ATOM 931 O LEU A 860 27.929 -3.014 20.188 1.00 22.43 O ATOM 932 CB LEU A 860 30.983 -2.122 19.280 1.00 22.24 C ATOM 933 CG LEU A 860 32.377 -1.621 19.638 1.00 24.11 C ATOM 934 CD1 LEU A 860 33.458 -2.429 18.934 1.00 23.30 C ATOM 935 CD2 LEU A 860 32.521 -0.168 19.281 1.00 24.51 C ATOM 936 H LEU A 860 29.914 -2.762 21.857 1.00 0.00 H ATOM 937 N TRP A 861 28.014 -1.448 18.529 1.00 21.58 N ATOM 938 CA TRP A 861 26.734 -1.753 17.908 1.00 21.07 C ATOM 939 C TRP A 861 26.813 -2.970 16.972 1.00 22.15 C ATOM 940 O TRP A 861 27.768 -3.166 16.222 1.00 22.18 O ATOM 941 CB TRP A 861 26.223 -0.550 17.111 1.00 21.64 C ATOM 942 CG TRP A 861 26.016 0.694 17.907 1.00 22.67 C ATOM 943 CD1 TRP A 861 26.805 1.808 17.918 1.00 25.09 C ATOM 944 CD2 TRP A 861 24.944 0.949 18.827 1.00 23.14 C ATOM 945 NE1 TRP A 861 26.277 2.754 18.758 1.00 24.90 N ATOM 946 CE2 TRP A 861 25.150 2.246 19.342 1.00 25.55 C ATOM 947 CE3 TRP A 861 23.844 0.217 19.276 1.00 22.60 C ATOM 948 CZ2 TRP A 861 24.298 2.805 20.292 1.00 24.95 C ATOM 949 CZ3 TRP A 861 23.000 0.773 20.206 1.00 24.87 C ATOM 950 CH2 TRP A 861 23.230 2.050 20.706 1.00 25.99 C ATOM 951 HE1 TRP A 861 26.669 3.703 18.924 1.00 0.00 H ATOM 952 H TRP A 861 28.596 -0.703 18.095 1.00 0.00 H ATOM 953 N HIS A 862 25.727 -3.758 16.943 1.00 19.66 N ATOM 954 CA HIS A 862 25.491 -4.746 15.879 1.00 20.50 C ATOM 955 C HIS A 862 24.000 -4.795 15.529 1.00 22.66 C ATOM 956 O HIS A 862 23.157 -5.087 16.394 1.00 23.29 O ATOM 957 CB HIS A 862 25.961 -6.137 16.298 1.00 20.78 C ATOM 958 CG HIS A 862 25.782 -7.192 15.244 1.00 22.15 C ATOM 959 ND1 HIS A 862 26.779 -7.493 14.307 1.00 23.72 N ATOM 960 CD2 HIS A 862 24.728 -7.990 14.922 1.00 24.04 C ATOM 961 CE1 HIS A 862 26.331 -8.414 13.477 1.00 25.52 C ATOM 962 NE2 HIS A 862 25.082 -8.760 13.834 1.00 24.81 N ATOM 963 H HIS A 862 25.024 -3.666 17.704 1.00 0.00 H ATOM 964 N GLY A 863 23.687 -4.520 14.267 1.00 22.17 N ATOM 965 CA GLY A 863 22.343 -4.586 13.736 1.00 23.84 C ATOM 966 C GLY A 863 22.141 -5.825 12.882 1.00 25.39 C ATOM 967 O GLY A 863 23.071 -6.343 12.246 1.00 24.33 O ATOM 968 H GLY A 863 24.454 -4.241 13.623 1.00 0.00 H ATOM 969 N SER A 864 20.903 -6.304 12.865 1.00 24.98 N ATOM 970 CA SER A 864 20.502 -7.455 12.085 1.00 26.44 C ATOM 971 C SER A 864 18.993 -7.394 11.859 1.00 27.04 C ATOM 972 O SER A 864 18.282 -6.722 12.607 1.00 27.27 O ATOM 973 CB SER A 864 20.883 -8.704 12.824 1.00 26.74 C ATOM 974 OG SER A 864 20.905 -9.824 11.959 1.00 29.23 O ATOM 975 HG SER A 864 21.565 -9.669 11.238 1.00 0.00 H ATOM 976 H SER A 864 20.183 -5.826 13.443 1.00 0.00 H ATOM 977 N ARG A 865 18.500 -8.128 10.854 1.00 27.99 N ATOM 978 CA ARG A 865 17.057 -8.230 10.620 1.00 30.39 C ATOM 979 C ARG A 865 16.393 -8.849 11.854 1.00 30.37 C ATOM 980 O ARG A 865 16.946 -9.747 12.490 1.00 28.34 O ATOM 981 CB ARG A 865 16.737 -9.088 9.385 1.00 32.38 C ATOM 982 CG ARG A 865 17.183 -8.493 8.062 1.00 38.87 C ATOM 983 CD ARG A 865 16.740 -9.377 6.911 1.00 43.98 C ATOM 984 NE ARG A 865 17.310 -8.898 5.667 1.00 48.89 N ATOM 985 CZ ARG A 865 16.659 -8.182 4.762 1.00 55.74 C ATOM 986 NH1 ARG A 865 15.357 -7.987 4.880 1.00 66.07 N ATOM 987 NH2 ARG A 865 17.317 -7.664 3.739 1.00 61.32 N ATOM 988 HE ARG A 865 18.304 -9.134 5.470 1.00 0.00 H ATOM 989 HH12 ARG A 865 14.849 -7.425 4.168 1.00 0.00 H ATOM 990 HH11 ARG A 865 14.841 -8.396 5.685 1.00 0.00 H ATOM 991 HH22 ARG A 865 16.810 -7.101 3.026 1.00 0.00 H ATOM 992 HH21 ARG A 865 18.341 -7.819 3.647 1.00 0.00 H ATOM 993 H ARG A 865 19.155 -8.637 10.226 1.00 0.00 H ATOM 994 N THR A 866 15.166 -8.414 12.153 1.00 29.75 N ATOM 995 CA THR A 866 14.412 -8.918 13.321 1.00 30.17 C ATOM 996 C THR A 866 14.280 -10.457 13.287 1.00 29.46 C ATOM 997 O THR A 866 14.381 -11.100 14.323 1.00 30.02 O ATOM 998 CB THR A 866 13.051 -8.226 13.400 1.00 32.54 C ATOM 999 OG1 THR A 866 13.300 -6.836 13.599 1.00 34.19 O ATOM 1000 CG2 THR A 866 12.167 -8.761 14.501 1.00 32.81 C ATOM 1001 HG1 THR A 866 13.828 -6.484 12.839 1.00 0.00 H ATOM 1002 H THR A 866 14.726 -7.696 11.543 1.00 0.00 H ATOM 1003 N THR A 867 14.111 -11.038 12.099 1.00 30.99 N ATOM 1004 CA THR A 867 13.927 -12.489 11.931 1.00 33.82 C ATOM 1005 C THR A 867 15.173 -13.292 12.350 1.00 31.34 C ATOM 1006 O THR A 867 15.080 -14.527 12.482 1.00 35.93 O ATOM 1007 CB THR A 867 13.498 -12.832 10.499 1.00 36.93 C ATOM 1008 OG1 THR A 867 14.416 -12.245 9.580 1.00 39.20 O ATOM 1009 CG2 THR A 867 12.092 -12.359 10.196 1.00 44.01 C ATOM 1010 HG1 THR A 867 14.418 -11.262 9.700 1.00 0.00 H ATOM 1011 H THR A 867 14.109 -10.437 11.250 1.00 0.00 H ATOM 1012 N ASN A 868 16.309 -12.626 12.561 1.00 32.00 N ATOM 1013 CA ASN A 868 17.554 -13.297 12.956 1.00 29.54 C ATOM 1014 C ASN A 868 17.694 -13.362 14.483 1.00 30.13 C ATOM 1015 O ASN A 868 18.530 -14.108 14.983 1.00 29.64 O ATOM 1016 CB ASN A 868 18.795 -12.636 12.356 1.00 30.41 C ATOM 1017 CG ASN A 868 18.915 -12.817 10.864 1.00 32.60 C ATOM 1018 OD1 ASN A 868 18.511 -13.843 10.317 1.00 35.80 O ATOM 1019 ND2 ASN A 868 19.479 -11.817 10.212 1.00 33.07 N ATOM 1020 HD22 ASN A 868 19.801 -10.974 10.730 1.00 0.00 H ATOM 1021 HD21 ASN A 868 19.601 -11.872 9.181 1.00 0.00 H ATOM 1022 H ASN A 868 16.313 -11.593 12.441 1.00 0.00 H ATOM 1023 N PHE A 869 16.875 -12.613 15.240 1.00 30.43 N ATOM 1024 CA PHE A 869 17.169 -12.443 16.668 1.00 26.52 C ATOM 1025 C PHE A 869 16.892 -13.686 17.512 1.00 27.99 C ATOM 1026 O PHE A 869 17.581 -13.892 18.523 1.00 28.09 O ATOM 1027 CB PHE A 869 16.473 -11.201 17.219 1.00 27.71 C ATOM 1028 CG PHE A 869 17.368 -10.007 17.066 1.00 26.90 C ATOM 1029 CD1 PHE A 869 17.470 -9.335 15.859 1.00 28.36 C ATOM 1030 CD2 PHE A 869 18.156 -9.600 18.125 1.00 30.24 C ATOM 1031 CE1 PHE A 869 18.316 -8.242 15.731 1.00 29.85 C ATOM 1032 CE2 PHE A 869 19.018 -8.529 17.990 1.00 28.67 C ATOM 1033 CZ PHE A 869 19.100 -7.852 16.795 1.00 29.49 C ATOM 1034 H PHE A 869 16.040 -12.158 14.818 1.00 0.00 H ATOM 1035 N ALA A 870 15.916 -14.518 17.146 1.00 28.04 N ATOM 1036 CA ALA A 870 15.733 -15.763 17.914 1.00 29.24 C ATOM 1037 C ALA A 870 17.024 -16.602 17.899 1.00 32.08 C ATOM 1038 O ALA A 870 17.443 -17.164 18.923 1.00 31.63 O ATOM 1039 CB ALA A 870 14.558 -16.541 17.386 1.00 32.74 C ATOM 1040 H ALA A 870 15.299 -14.294 16.339 1.00 0.00 H ATOM 1041 N GLY A 871 17.664 -16.679 16.729 1.00 30.98 N ATOM 1042 CA GLY A 871 18.927 -17.396 16.576 1.00 31.13 C ATOM 1043 C GLY A 871 20.076 -16.697 17.273 1.00 31.91 C ATOM 1044 O GLY A 871 20.948 -17.333 17.874 1.00 33.73 O ATOM 1045 H GLY A 871 17.248 -16.212 15.898 1.00 0.00 H ATOM 1046 N ILE A 872 20.130 -15.377 17.142 1.00 27.09 N ATOM 1047 CA ILE A 872 21.261 -14.619 17.749 1.00 26.16 C ATOM 1048 C ILE A 872 21.240 -14.809 19.263 1.00 26.62 C ATOM 1049 O ILE A 872 22.282 -15.038 19.873 1.00 27.78 O ATOM 1050 CB ILE A 872 21.235 -13.139 17.330 1.00 27.94 C ATOM 1051 CG1 ILE A 872 21.590 -12.982 15.853 1.00 28.91 C ATOM 1052 CG2 ILE A 872 22.162 -12.321 18.203 1.00 28.76 C ATOM 1053 CD1 ILE A 872 21.254 -11.602 15.295 1.00 28.72 C ATOM 1054 H ILE A 872 19.386 -14.874 16.618 1.00 0.00 H ATOM 1055 N LEU A 873 20.064 -14.682 19.873 1.00 26.30 N ATOM 1056 CA LEU A 873 20.003 -14.793 21.328 1.00 26.84 C ATOM 1057 C LEU A 873 20.256 -16.239 21.784 1.00 28.37 C ATOM 1058 O LEU A 873 21.009 -16.441 22.754 1.00 31.55 O ATOM 1059 CB LEU A 873 18.693 -14.202 21.833 1.00 27.43 C ATOM 1060 CG LEU A 873 18.546 -12.709 21.567 1.00 28.62 C ATOM 1061 CD1 LEU A 873 17.214 -12.218 22.068 1.00 30.50 C ATOM 1062 CD2 LEU A 873 19.677 -11.905 22.181 1.00 29.08 C ATOM 1063 H LEU A 873 19.200 -14.506 19.321 1.00 0.00 H ATOM 1064 N SER A 874 19.668 -17.240 21.119 1.00 29.04 N ATOM 1065 CA SER A 874 19.863 -18.624 21.555 1.00 31.15 C ATOM 1066 C SER A 874 21.303 -19.114 21.304 1.00 33.41 C ATOM 1067 O SER A 874 21.831 -19.839 22.162 1.00 34.52 O ATOM 1068 CB SER A 874 18.831 -19.559 20.951 1.00 32.88 C ATOM 1069 OG SER A 874 18.914 -19.587 19.538 1.00 37.74 O ATOM 1070 HG SER A 874 18.758 -18.677 19.181 1.00 0.00 H ATOM 1071 H SER A 874 19.072 -17.035 20.292 1.00 0.00 H ATOM 1072 N GLN A 875 21.937 -18.742 20.174 1.00 31.73 N ATOM 1073 CA GLN A 875 23.236 -19.313 19.764 1.00 33.61 C ATOM 1074 C GLN A 875 24.377 -18.290 19.875 1.00 29.85 C ATOM 1075 O GLN A 875 25.570 -18.663 19.754 1.00 30.09 O ATOM 1076 CB GLN A 875 23.198 -19.816 18.315 1.00 37.51 C ATOM 1077 CG GLN A 875 22.092 -20.827 18.046 1.00 39.35 C ATOM 1078 CD GLN A 875 22.294 -22.130 18.784 1.00 47.09 C ATOM 1079 OE1 GLN A 875 23.412 -22.612 18.952 1.00 51.25 O ATOM 1080 NE2 GLN A 875 21.201 -22.718 19.234 1.00 50.86 N ATOM 1081 HE22 GLN A 875 20.271 -22.281 19.073 1.00 0.00 H ATOM 1082 HE21 GLN A 875 21.270 -23.619 19.749 1.00 0.00 H ATOM 1083 H GLN A 875 21.494 -18.024 19.566 1.00 0.00 H ATOM 1084 N GLY A 876 24.037 -17.012 20.081 1.00 25.85 N ATOM 1085 CA GLY A 876 25.035 -15.904 20.063 1.00 27.24 C ATOM 1086 C GLY A 876 25.352 -15.488 18.637 1.00 24.89 C ATOM 1087 O GLY A 876 24.943 -16.175 17.695 1.00 26.96 O ATOM 1088 H GLY A 876 23.039 -16.783 20.260 1.00 0.00 H ATOM 1089 N LEU A 877 26.116 -14.397 18.465 1.00 25.03 N ATOM 1090 CA LEU A 877 26.564 -14.007 17.130 1.00 25.52 C ATOM 1091 C LEU A 877 27.548 -15.056 16.623 1.00 27.22 C ATOM 1092 O LEU A 877 28.355 -15.598 17.401 1.00 25.46 O ATOM 1093 CB LEU A 877 27.219 -12.627 17.180 1.00 24.85 C ATOM 1094 CG LEU A 877 26.254 -11.473 17.432 1.00 25.36 C ATOM 1095 CD1 LEU A 877 27.016 -10.168 17.616 1.00 24.25 C ATOM 1096 CD2 LEU A 877 25.219 -11.354 16.315 1.00 25.82 C ATOM 1097 H LEU A 877 26.391 -13.825 19.289 1.00 0.00 H ATOM 1098 N ARG A 878 27.424 -15.376 15.327 1.00 27.17 N ATOM 1099 CA ARG A 878 28.173 -16.440 14.694 1.00 29.38 C ATOM 1100 C ARG A 878 28.907 -15.870 13.483 1.00 30.24 C ATOM 1101 O ARG A 878 28.574 -14.810 12.972 1.00 31.77 O ATOM 1102 CB ARG A 878 27.259 -17.605 14.278 1.00 31.82 C ATOM 1103 CG ARG A 878 26.677 -18.396 15.442 1.00 36.08 C ATOM 1104 CD ARG A 878 25.796 -19.545 14.972 1.00 49.81 C ATOM 1105 NE ARG A 878 24.643 -19.097 14.187 1.00 59.94 N ATOM 1106 CZ ARG A 878 24.439 -19.357 12.889 1.00 64.52 C ATOM 1107 NH1 ARG A 878 25.297 -20.102 12.211 1.00 61.92 N ATOM 1108 NH2 ARG A 878 23.379 -18.859 12.271 1.00 58.64 N ATOM 1109 HE ARG A 878 23.923 -18.530 14.678 1.00 0.00 H ATOM 1110 HH12 ARG A 878 25.131 -20.299 11.203 1.00 0.00 H ATOM 1111 HH11 ARG A 878 26.137 -20.490 12.686 1.00 0.00 H ATOM 1112 HH22 ARG A 878 23.222 -19.062 11.263 1.00 0.00 H ATOM 1113 HH21 ARG A 878 22.704 -18.265 12.794 1.00 0.00 H ATOM 1114 H ARG A 878 26.755 -14.831 14.747 1.00 0.00 H ATOM 1115 N ILE A 879 29.930 -16.600 13.063 1.00 28.56 N ATOM 1116 CA ILE A 879 30.647 -16.288 11.846 1.00 28.12 C ATOM 1117 C ILE A 879 29.931 -17.001 10.695 1.00 29.08 C ATOM 1118 O ILE A 879 29.566 -18.151 10.838 1.00 32.64 O ATOM 1119 CB ILE A 879 32.125 -16.682 12.004 1.00 31.50 C ATOM 1120 CG1 ILE A 879 32.794 -15.775 13.048 1.00 33.01 C ATOM 1121 CG2 ILE A 879 32.861 -16.627 10.674 1.00 31.71 C ATOM 1122 CD1 ILE A 879 34.111 -16.277 13.545 1.00 38.69 C ATOM 1123 H ILE A 879 30.227 -17.423 13.626 1.00 0.00 H ATOM 1124 N ALA A 880 29.798 -16.303 9.550 1.00 29.44 N ATOM 1125 CA ALA A 880 29.211 -16.893 8.356 1.00 32.82 C ATOM 1126 C ALA A 880 29.930 -18.198 8.040 1.00 30.92 C ATOM 1127 O ALA A 880 31.160 -18.254 8.022 1.00 31.98 O ATOM 1128 CB ALA A 880 29.308 -15.951 7.181 1.00 33.92 C ATOM 1129 H ALA A 880 30.124 -15.316 9.519 1.00 0.00 H ATOM 1130 N PRO A 881 29.193 -19.274 7.711 1.00 33.04 N ATOM 1131 CA PRO A 881 29.822 -20.536 7.335 1.00 35.44 C ATOM 1132 C PRO A 881 30.422 -20.508 5.931 1.00 37.58 C ATOM 1133 O PRO A 881 30.149 -19.604 5.154 1.00 36.85 O ATOM 1134 CB PRO A 881 28.673 -21.547 7.400 1.00 38.04 C ATOM 1135 CG PRO A 881 27.416 -20.721 7.199 1.00 37.66 C ATOM 1136 CD PRO A 881 27.727 -19.343 7.736 1.00 34.07 C ATOM 1137 N PRO A 882 31.264 -21.505 5.579 1.00 40.29 N ATOM 1138 CA PRO A 882 31.886 -21.573 4.255 1.00 43.52 C ATOM 1139 C PRO A 882 30.914 -21.433 3.070 1.00 43.67 C ATOM 1140 O PRO A 882 31.257 -20.780 2.094 1.00 47.04 O ATOM 1141 CB PRO A 882 32.532 -22.963 4.250 1.00 46.24 C ATOM 1142 CG PRO A 882 32.791 -23.270 5.710 1.00 44.61 C ATOM 1143 CD PRO A 882 31.662 -22.611 6.465 1.00 43.08 C ATOM 1144 N GLU A 883 29.702 -21.984 3.194 1.00 46.22 N ATOM 1145 CA GLU A 883 28.738 -22.009 2.089 1.00 50.88 C ATOM 1146 C GLU A 883 27.996 -20.662 1.963 1.00 50.78 C ATOM 1147 O GLU A 883 27.269 -20.465 0.990 1.00 52.19 O ATOM 1148 CB GLU A 883 27.797 -23.224 2.205 1.00 54.08 C ATOM 1149 CG GLU A 883 26.842 -23.239 3.395 1.00 54.38 C ATOM 1150 CD GLU A 883 27.303 -23.950 4.711 1.00 54.38 C ATOM 1151 OE1 GLU A 883 28.523 -24.156 4.893 1.00 52.70 O ATOM 1152 OE2 GLU A 883 26.428 -24.255 5.565 1.00 54.41 O ATOM 1153 H GLU A 883 29.434 -22.409 4.105 1.00 0.00 H ATOM 1154 N ALA A 884 28.207 -19.724 2.903 1.00 42.30 N ATOM 1155 CA ALA A 884 27.600 -18.400 2.831 1.00 41.74 C ATOM 1156 C ALA A 884 28.473 -17.487 1.963 1.00 41.52 C ATOM 1157 O ALA A 884 29.694 -17.668 1.915 1.00 41.97 O ATOM 1158 CB ALA A 884 27.425 -17.837 4.222 1.00 43.56 C ATOM 1159 H ALA A 884 28.824 -19.950 3.709 1.00 0.00 H ATOM 1160 N PRO A 885 27.899 -16.517 1.210 1.00 40.00 N ATOM 1161 CA PRO A 885 28.713 -15.586 0.417 1.00 42.04 C ATOM 1162 C PRO A 885 29.514 -14.630 1.315 1.00 37.44 C ATOM 1163 O PRO A 885 29.061 -14.307 2.418 1.00 35.04 O ATOM 1164 CB PRO A 885 27.682 -14.811 -0.422 1.00 42.51 C ATOM 1165 CG PRO A 885 26.409 -15.634 -0.332 1.00 46.05 C ATOM 1166 CD PRO A 885 26.456 -16.276 1.036 1.00 43.63 C ATOM 1167 N VAL A 886 30.706 -14.209 0.850 1.00 34.37 N ATOM 1168 CA VAL A 886 31.561 -13.237 1.589 1.00 33.73 C ATOM 1169 C VAL A 886 31.082 -11.810 1.286 1.00 36.31 C ATOM 1170 O VAL A 886 31.614 -10.858 1.850 1.00 34.97 O ATOM 1171 CB VAL A 886 33.055 -13.410 1.233 1.00 31.40 C ATOM 1172 CG1 VAL A 886 33.371 -12.846 -0.149 1.00 32.31 C ATOM 1173 CG2 VAL A 886 33.994 -12.818 2.285 1.00 33.25 C ATOM 1174 H VAL A 886 31.044 -14.577 -0.062 1.00 0.00 H ATOM 1175 N THR A 887 30.080 -11.670 0.405 1.00 36.56 N ATOM 1176 CA THR A 887 29.633 -10.369 -0.068 1.00 38.46 C ATOM 1177 C THR A 887 29.259 -9.465 1.119 1.00 33.39 C ATOM 1178 O THR A 887 28.477 -9.854 2.003 1.00 33.51 O ATOM 1179 CB THR A 887 28.466 -10.496 -1.055 1.00 41.51 C ATOM 1180 OG1 THR A 887 28.641 -11.662 -1.868 1.00 45.18 O ATOM 1181 CG2 THR A 887 28.375 -9.275 -1.944 1.00 44.43 C ATOM 1182 HG1 THR A 887 27.884 -11.737 -2.502 1.00 0.00 H ATOM 1183 H THR A 887 29.605 -12.523 0.047 1.00 0.00 H ATOM 1184 N GLY A 888 29.853 -8.262 1.149 1.00 32.36 N ATOM 1185 CA GLY A 888 29.560 -7.286 2.206 1.00 32.20 C ATOM 1186 C GLY A 888 30.532 -7.316 3.370 1.00 32.33 C ATOM 1187 O GLY A 888 30.482 -6.435 4.257 1.00 33.40 O ATOM 1188 H GLY A 888 30.537 -8.015 0.406 1.00 0.00 H ATOM 1189 N TYR A 889 31.413 -8.324 3.415 1.00 27.67 N ATOM 1190 CA TYR A 889 32.346 -8.479 4.513 1.00 27.18 C ATOM 1191 C TYR A 889 33.738 -8.047 4.051 1.00 28.25 C ATOM 1192 O TYR A 889 34.480 -8.872 3.532 1.00 30.94 O ATOM 1193 CB TYR A 889 32.392 -9.936 4.976 1.00 27.88 C ATOM 1194 CG TYR A 889 31.136 -10.472 5.617 1.00 27.99 C ATOM 1195 CD1 TYR A 889 30.672 -9.977 6.829 1.00 30.82 C ATOM 1196 CD2 TYR A 889 30.465 -11.540 5.059 1.00 29.92 C ATOM 1197 CE1 TYR A 889 29.548 -10.505 7.448 1.00 30.91 C ATOM 1198 CE2 TYR A 889 29.342 -12.087 5.664 1.00 32.30 C ATOM 1199 CZ TYR A 889 28.905 -11.589 6.878 1.00 30.22 C ATOM 1200 OH TYR A 889 27.815 -12.119 7.514 1.00 32.59 O ATOM 1201 HH TYR A 889 27.660 -11.633 8.362 1.00 0.00 H ATOM 1202 H TYR A 889 31.428 -9.016 2.639 1.00 0.00 H ATOM 1203 N MET A 890 34.107 -6.788 4.285 1.00 26.10 N ATOM 1204 CA MET A 890 35.323 -6.244 3.649 1.00 26.00 C ATOM 1205 C MET A 890 36.620 -6.847 4.215 1.00 25.57 C ATOM 1206 O MET A 890 37.635 -6.851 3.498 1.00 24.20 O ATOM 1207 CB MET A 890 35.327 -4.717 3.686 1.00 31.27 C ATOM 1208 CG MET A 890 35.847 -4.135 4.920 1.00 33.93 C ATOM 1209 SD MET A 890 35.721 -2.321 4.769 1.00 39.90 S ATOM 1210 CE MET A 890 37.080 -1.935 3.673 1.00 37.51 C ATOM 1211 H MET A 890 33.538 -6.188 4.916 1.00 0.00 H ATOM 1212 N PHE A 891 36.568 -7.474 5.411 1.00 23.91 N ATOM 1213 CA PHE A 891 37.754 -8.098 6.018 1.00 25.15 C ATOM 1214 C PHE A 891 37.550 -9.605 6.195 1.00 26.03 C ATOM 1215 O PHE A 891 38.243 -10.232 6.989 1.00 27.22 O ATOM 1216 CB PHE A 891 38.107 -7.395 7.326 1.00 25.61 C ATOM 1217 CG PHE A 891 38.388 -5.927 7.123 1.00 23.60 C ATOM 1218 CD1 PHE A 891 39.471 -5.515 6.354 1.00 24.57 C ATOM 1219 CD2 PHE A 891 37.541 -4.966 7.633 1.00 26.16 C ATOM 1220 CE1 PHE A 891 39.714 -4.166 6.137 1.00 24.44 C ATOM 1221 CE2 PHE A 891 37.785 -3.617 7.421 1.00 30.47 C ATOM 1222 CZ PHE A 891 38.876 -3.218 6.677 1.00 27.76 C ATOM 1223 H PHE A 891 35.661 -7.517 5.918 1.00 0.00 H ATOM 1224 N GLY A 892 36.644 -10.170 5.390 1.00 25.78 N ATOM 1225 CA GLY A 892 36.397 -11.606 5.391 1.00 25.98 C ATOM 1226 C GLY A 892 35.362 -11.968 6.436 1.00 26.07 C ATOM 1227 O GLY A 892 34.911 -11.122 7.194 1.00 25.83 O ATOM 1228 H GLY A 892 36.099 -9.566 4.743 1.00 0.00 H ATOM 1229 N LYS A 893 34.992 -13.242 6.477 1.00 26.63 N ATOM 1230 CA LYS A 893 33.951 -13.672 7.400 1.00 26.27 C ATOM 1231 C LYS A 893 34.435 -13.464 8.837 1.00 25.67 C ATOM 1232 O LYS A 893 35.525 -13.896 9.194 1.00 30.25 O ATOM 1233 CB LYS A 893 33.548 -15.108 7.085 1.00 27.43 C ATOM 1234 CG LYS A 893 32.898 -15.220 5.709 1.00 30.23 C ATOM 1235 CD LYS A 893 32.567 -16.611 5.268 1.00 32.09 C ATOM 1236 CE LYS A 893 31.975 -16.648 3.877 1.00 35.25 C ATOM 1237 NZ LYS A 893 31.797 -18.043 3.399 1.00 36.46 N ATOM 1238 HZ1 LYS A 893 32.720 -18.521 3.378 1.00 0.00 H ATOM 1239 HZ2 LYS A 893 31.157 -18.550 4.044 1.00 0.00 H ATOM 1240 HZ3 LYS A 893 31.389 -18.031 2.442 1.00 0.00 H ATOM 1241 H LYS A 893 35.447 -13.935 5.848 1.00 0.00 H ATOM 1242 N GLY A 894 33.586 -12.806 9.628 1.00 26.39 N ATOM 1243 CA GLY A 894 33.859 -12.511 11.039 1.00 24.69 C ATOM 1244 C GLY A 894 32.616 -11.904 11.646 1.00 23.94 C ATOM 1245 O GLY A 894 31.544 -11.924 11.007 1.00 25.93 O ATOM 1246 H GLY A 894 32.683 -12.485 9.223 1.00 0.00 H ATOM 1247 N ILE A 895 32.743 -11.405 12.877 1.00 22.04 N ATOM 1248 CA ILE A 895 31.633 -10.744 13.526 1.00 21.87 C ATOM 1249 C ILE A 895 31.935 -9.244 13.511 1.00 22.58 C ATOM 1250 O ILE A 895 32.991 -8.799 14.050 1.00 23.50 O ATOM 1251 CB ILE A 895 31.401 -11.265 14.957 1.00 21.43 C ATOM 1252 CG1 ILE A 895 31.319 -12.792 15.023 1.00 21.79 C ATOM 1253 CG2 ILE A 895 30.162 -10.609 15.544 1.00 21.44 C ATOM 1254 CD1 ILE A 895 31.075 -13.309 16.414 1.00 21.45 C ATOM 1255 H ILE A 895 33.651 -11.493 13.376 1.00 0.00 H ATOM 1256 N TYR A 896 31.020 -8.479 12.893 1.00 21.39 N ATOM 1257 CA TYR A 896 31.224 -7.053 12.576 1.00 21.77 C ATOM 1258 C TYR A 896 30.425 -6.149 13.520 1.00 23.20 C ATOM 1259 O TYR A 896 29.232 -6.392 13.792 1.00 23.31 O ATOM 1260 CB TYR A 896 30.824 -6.776 11.131 1.00 21.90 C ATOM 1261 CG TYR A 896 31.837 -7.231 10.106 1.00 23.17 C ATOM 1262 CD1 TYR A 896 32.134 -8.571 9.931 1.00 22.45 C ATOM 1263 CD2 TYR A 896 32.445 -6.329 9.251 1.00 23.86 C ATOM 1264 CE1 TYR A 896 33.089 -8.988 9.014 1.00 23.82 C ATOM 1265 CE2 TYR A 896 33.383 -6.728 8.315 1.00 22.65 C ATOM 1266 CZ TYR A 896 33.691 -8.070 8.174 1.00 23.21 C ATOM 1267 OH TYR A 896 34.630 -8.502 7.279 1.00 24.02 O ATOM 1268 HH TYR A 896 34.704 -9.488 7.330 1.00 0.00 H ATOM 1269 H TYR A 896 30.116 -8.917 12.623 1.00 0.00 H ATOM 1270 N PHE A 897 31.077 -5.058 13.940 1.00 20.08 N ATOM 1271 CA PHE A 897 30.477 -4.050 14.826 1.00 20.91 C ATOM 1272 C PHE A 897 30.806 -2.638 14.353 1.00 22.00 C ATOM 1273 O PHE A 897 31.821 -2.424 13.690 1.00 22.62 O ATOM 1274 CB PHE A 897 31.013 -4.185 16.249 1.00 21.70 C ATOM 1275 CG PHE A 897 30.758 -5.525 16.876 1.00 20.52 C ATOM 1276 CD1 PHE A 897 31.622 -6.583 16.655 1.00 21.80 C ATOM 1277 CD2 PHE A 897 29.641 -5.717 17.682 1.00 22.40 C ATOM 1278 CE1 PHE A 897 31.379 -7.822 17.239 1.00 20.66 C ATOM 1279 CE2 PHE A 897 29.391 -6.961 18.253 1.00 22.47 C ATOM 1280 CZ PHE A 897 30.246 -8.002 18.009 1.00 23.89 C ATOM 1281 H PHE A 897 32.058 -4.916 13.624 1.00 0.00 H ATOM 1282 N ALA A 898 29.959 -1.689 14.742 1.00 21.15 N ATOM 1283 CA ALA A 898 30.169 -0.249 14.471 1.00 21.85 C ATOM 1284 C ALA A 898 30.239 0.545 15.777 1.00 22.95 C ATOM 1285 O ALA A 898 29.686 0.132 16.785 1.00 23.66 O ATOM 1286 CB ALA A 898 29.058 0.270 13.595 1.00 22.84 C ATOM 1287 H ALA A 898 29.105 -1.973 15.263 1.00 0.00 H ATOM 1288 N ASP A 899 30.892 1.726 15.720 1.00 22.23 N ATOM 1289 CA ASP A 899 30.830 2.721 16.807 1.00 22.85 C ATOM 1290 C ASP A 899 29.862 3.865 16.466 1.00 25.32 C ATOM 1291 O ASP A 899 29.665 4.759 17.274 1.00 26.99 O ATOM 1292 CB ASP A 899 32.219 3.254 17.186 1.00 23.13 C ATOM 1293 CG ASP A 899 33.028 3.888 16.054 1.00 24.42 C ATOM 1294 OD1 ASP A 899 32.434 4.384 15.087 1.00 25.21 O ATOM 1295 OD2 ASP A 899 34.261 3.926 16.187 1.00 25.24 O ATOM 1296 H ASP A 899 31.461 1.942 14.877 1.00 0.00 H ATOM 1297 N MET A 900 29.220 3.795 15.302 1.00 24.19 N ATOM 1298 CA MET A 900 28.173 4.736 14.892 1.00 26.98 C ATOM 1299 C MET A 900 26.859 3.962 14.803 1.00 25.55 C ATOM 1300 O MET A 900 26.736 3.040 13.996 1.00 26.36 O ATOM 1301 CB MET A 900 28.464 5.387 13.534 1.00 29.46 C ATOM 1302 CG MET A 900 29.792 6.140 13.480 1.00 29.95 C ATOM 1303 SD MET A 900 29.819 7.757 14.325 1.00 33.45 S ATOM 1304 CE MET A 900 28.875 8.725 13.158 1.00 32.79 C ATOM 1305 H MET A 900 29.476 3.029 14.646 1.00 0.00 H ATOM 1306 N VAL A 901 25.878 4.357 15.626 1.00 24.19 N ATOM 1307 CA VAL A 901 24.650 3.606 15.741 1.00 25.39 C ATOM 1308 C VAL A 901 23.981 3.402 14.372 1.00 27.69 C ATOM 1309 O VAL A 901 23.418 2.326 14.112 1.00 27.36 O ATOM 1310 CB VAL A 901 23.664 4.266 16.714 1.00 26.43 C ATOM 1311 CG1 VAL A 901 23.196 5.619 16.215 1.00 28.24 C ATOM 1312 CG2 VAL A 901 22.483 3.352 17.019 1.00 24.86 C ATOM 1313 H VAL A 901 26.003 5.220 16.192 1.00 0.00 H ATOM 1314 N SER A 902 23.994 4.436 13.526 1.00 26.84 N ATOM 1315 CA SER A 902 23.252 4.398 12.284 1.00 27.71 C ATOM 1316 C SER A 902 23.929 3.448 11.274 1.00 27.36 C ATOM 1317 O SER A 902 23.251 2.878 10.428 1.00 28.57 O ATOM 1318 CB SER A 902 23.088 5.784 11.721 1.00 29.82 C ATOM 1319 OG SER A 902 24.364 6.331 11.438 1.00 29.14 O ATOM 1320 HG SER A 902 24.828 5.758 10.777 1.00 0.00 H ATOM 1321 H SER A 902 24.547 5.284 13.764 1.00 0.00 H ATOM 1322 N LYS A 903 25.255 3.254 11.360 1.00 26.14 N ATOM 1323 CA LYS A 903 25.911 2.286 10.472 1.00 23.87 C ATOM 1324 C LYS A 903 25.383 0.876 10.750 1.00 25.69 C ATOM 1325 O LYS A 903 25.119 0.115 9.814 1.00 27.13 O ATOM 1326 CB LYS A 903 27.435 2.331 10.656 1.00 24.27 C ATOM 1327 CG LYS A 903 28.203 1.337 9.804 1.00 26.16 C ATOM 1328 CD LYS A 903 29.663 1.705 9.618 1.00 26.24 C ATOM 1329 CE LYS A 903 30.414 0.650 8.832 1.00 27.66 C ATOM 1330 NZ LYS A 903 31.820 1.051 8.576 1.00 27.18 N ATOM 1331 HZ1 LYS A 903 31.833 1.936 8.031 1.00 0.00 H ATOM 1332 HZ2 LYS A 903 32.309 1.194 9.483 1.00 0.00 H ATOM 1333 HZ3 LYS A 903 32.300 0.303 8.036 1.00 0.00 H ATOM 1334 H LYS A 903 25.816 3.788 12.054 1.00 0.00 H ATOM 1335 N SER A 904 25.236 0.518 12.044 1.00 23.60 N ATOM 1336 CA SER A 904 24.639 -0.776 12.410 1.00 24.62 C ATOM 1337 C SER A 904 23.129 -0.805 12.127 1.00 24.70 C ATOM 1338 O SER A 904 22.574 -1.817 11.715 1.00 26.04 O ATOM 1339 CB SER A 904 24.918 -1.119 13.842 1.00 23.97 C ATOM 1340 OG SER A 904 26.271 -1.519 14.023 1.00 24.13 O ATOM 1341 HG SER A 904 26.456 -2.316 13.466 1.00 0.00 H ATOM 1342 H SER A 904 25.550 1.167 12.793 1.00 0.00 H ATOM 1343 N ALA A 905 22.434 0.300 12.384 1.00 25.36 N ATOM 1344 CA ALA A 905 20.967 0.323 12.254 1.00 25.40 C ATOM 1345 C ALA A 905 20.535 0.053 10.809 1.00 27.23 C ATOM 1346 O ALA A 905 19.423 -0.460 10.566 1.00 28.34 O ATOM 1347 CB ALA A 905 20.425 1.634 12.786 1.00 27.95 C ATOM 1348 H ALA A 905 22.935 1.162 12.682 1.00 0.00 H ATOM 1349 N ASN A 906 21.375 0.452 9.841 1.00 27.84 N ATOM 1350 CA ASN A 906 21.125 0.208 8.433 1.00 29.28 C ATOM 1351 C ASN A 906 20.949 -1.296 8.175 1.00 30.08 C ATOM 1352 O ASN A 906 20.179 -1.674 7.276 1.00 33.25 O ATOM 1353 CB ASN A 906 22.221 0.825 7.566 1.00 28.91 C ATOM 1354 CG ASN A 906 22.155 2.338 7.538 1.00 30.59 C ATOM 1355 OD1 ASN A 906 21.117 2.926 7.836 1.00 33.94 O ATOM 1356 ND2 ASN A 906 23.245 2.974 7.133 1.00 30.71 N ATOM 1357 HD22 ASN A 906 24.101 2.436 6.891 1.00 0.00 H ATOM 1358 HD21 ASN A 906 23.244 4.011 7.057 1.00 0.00 H ATOM 1359 H ASN A 906 22.242 0.958 10.112 1.00 0.00 H ATOM 1360 N TYR A 907 21.625 -2.132 8.965 1.00 28.48 N ATOM 1361 CA TYR A 907 21.587 -3.602 8.804 1.00 29.70 C ATOM 1362 C TYR A 907 20.320 -4.223 9.402 1.00 33.35 C ATOM 1363 O TYR A 907 20.126 -5.438 9.280 1.00 33.10 O ATOM 1364 CB TYR A 907 22.872 -4.221 9.354 1.00 29.83 C ATOM 1365 CG TYR A 907 24.072 -3.958 8.487 1.00 30.50 C ATOM 1366 CD1 TYR A 907 24.343 -4.757 7.385 1.00 34.21 C ATOM 1367 CD2 TYR A 907 24.929 -2.904 8.753 1.00 29.33 C ATOM 1368 CE1 TYR A 907 25.430 -4.510 6.569 1.00 35.98 C ATOM 1369 CE2 TYR A 907 26.020 -2.648 7.944 1.00 28.65 C ATOM 1370 CZ TYR A 907 26.267 -3.445 6.846 1.00 33.82 C ATOM 1371 OH TYR A 907 27.333 -3.173 6.036 1.00 35.90 O ATOM 1372 HH TYR A 907 27.365 -3.836 5.301 1.00 0.00 H ATOM 1373 H TYR A 907 22.206 -1.732 9.729 1.00 0.00 H ATOM 1374 N CYS A 908 19.434 -3.410 9.994 1.00 31.54 N ATOM 1375 CA CYS A 908 18.136 -3.911 10.478 1.00 31.89 C ATOM 1376 C CYS A 908 17.146 -4.064 9.311 1.00 32.88 C ATOM 1377 O CYS A 908 16.143 -4.796 9.435 1.00 36.06 O ATOM 1378 CB CYS A 908 17.529 -2.990 11.525 1.00 31.19 C ATOM 1379 SG CYS A 908 18.537 -2.734 13.004 1.00 31.14 S ATOM 1380 H CYS A 908 19.668 -2.404 10.114 1.00 0.00 H ATOM 1381 N HIS A 909 17.420 -3.372 8.192 1.00 34.93 N ATOM 1382 CA HIS A 909 16.547 -3.354 6.993 1.00 39.87 C ATOM 1383 C HIS A 909 15.082 -3.111 7.393 1.00 40.86 C ATOM 1384 O HIS A 909 14.166 -3.846 6.989 1.00 43.57 O ATOM 1385 CB HIS A 909 16.724 -4.644 6.177 1.00 43.97 C ATOM 1386 CG HIS A 909 18.105 -4.840 5.651 1.00 45.96 C ATOM 1387 ND1 HIS A 909 18.526 -4.274 4.467 1.00 52.50 N ATOM 1388 CD2 HIS A 909 19.150 -5.549 6.129 1.00 47.49 C ATOM 1389 CE1 HIS A 909 19.782 -4.608 4.247 1.00 50.98 C ATOM 1390 NE2 HIS A 909 20.194 -5.385 5.257 1.00 50.54 N ATOM 1391 H HIS A 909 18.298 -2.815 8.165 1.00 0.00 H ATOM 1392 N THR A 910 14.864 -2.059 8.187 1.00 38.66 N ATOM 1393 CA THR A 910 13.541 -1.549 8.472 1.00 40.86 C ATOM 1394 C THR A 910 13.074 -0.686 7.298 1.00 44.57 C ATOM 1395 O THR A 910 13.871 -0.290 6.446 1.00 43.47 O ATOM 1396 CB THR A 910 13.517 -0.756 9.780 1.00 42.01 C ATOM 1397 OG1 THR A 910 14.514 0.263 9.697 1.00 42.75 O ATOM 1398 CG2 THR A 910 13.808 -1.641 10.966 1.00 36.71 C ATOM 1399 HG1 THR A 910 15.402 -0.155 9.567 1.00 0.00 H ATOM 1400 H THR A 910 15.683 -1.585 8.620 1.00 0.00 H ATOM 1401 N SER A 911 11.772 -0.402 7.286 1.00 44.73 N ATOM 1402 CA SER A 911 11.141 0.400 6.233 1.00 49.44 C ATOM 1403 C SER A 911 9.987 1.204 6.832 1.00 53.23 C ATOM 1404 O SER A 911 9.547 0.953 7.956 1.00 47.62 O ATOM 1405 CB SER A 911 10.671 -0.467 5.088 1.00 52.19 C ATOM 1406 OG SER A 911 9.713 -1.418 5.538 1.00 52.24 O ATOM 1407 HG SER A 911 9.419 -1.975 4.774 1.00 0.00 H ATOM 1408 H SER A 911 11.177 -0.765 8.058 1.00 0.00 H ATOM 1409 N GLN A 912 9.468 2.164 6.052 1.00 52.63 N ATOM 1410 CA GLN A 912 8.381 2.976 6.543 1.00 56.98 C ATOM 1411 C GLN A 912 7.289 2.029 7.117 1.00 54.84 C ATOM 1412 O GLN A 912 6.718 2.271 8.243 1.00 57.58 O ATOM 1413 CB GLN A 912 7.846 3.902 5.429 1.00 62.29 C ATOM 1414 CG GLN A 912 6.974 5.029 5.974 1.00 68.85 C ATOM 1415 CD GLN A 912 6.874 6.183 5.003 1.00 75.84 C ATOM 1416 OE1 GLN A 912 7.872 6.629 4.434 1.00 81.27 O ATOM 1417 NE2 GLN A 912 5.663 6.683 4.810 1.00 75.35 N ATOM 1418 HE22 GLN A 912 4.847 6.277 5.311 1.00 0.00 H ATOM 1419 HE21 GLN A 912 5.528 7.482 4.158 1.00 0.00 H ATOM 1420 H GLN A 912 9.848 2.322 5.097 1.00 0.00 H ATOM 1421 N GLY A 913 7.041 0.938 6.330 1.00 55.64 N ATOM 1422 CA GLY A 913 5.951 -0.012 6.572 1.00 58.37 C ATOM 1423 C GLY A 913 6.228 -0.960 7.731 1.00 58.53 C ATOM 1424 O GLY A 913 5.302 -1.541 8.290 1.00 62.87 O ATOM 1425 H GLY A 913 7.662 0.773 5.512 1.00 0.00 H ATOM 1426 N ASP A 914 7.513 -1.121 8.078 1.00 55.16 N ATOM 1427 CA ASP A 914 7.973 -2.012 9.130 1.00 54.52 C ATOM 1428 C ASP A 914 9.044 -1.256 9.917 1.00 48.29 C ATOM 1429 O ASP A 914 10.230 -1.550 9.799 1.00 48.88 O ATOM 1430 CB ASP A 914 8.469 -3.320 8.504 1.00 56.53 C ATOM 1431 CG ASP A 914 8.896 -4.387 9.493 1.00 62.73 C ATOM 1432 OD1 ASP A 914 8.202 -4.557 10.519 1.00 67.59 O ATOM 1433 OD2 ASP A 914 9.919 -5.045 9.221 1.00 67.52 O ATOM 1434 H ASP A 914 8.228 -0.572 7.560 1.00 0.00 H ATOM 1435 N PRO A 915 8.660 -0.195 10.666 1.00 45.69 N ATOM 1436 CA PRO A 915 9.625 0.804 11.129 1.00 42.03 C ATOM 1437 C PRO A 915 10.305 0.535 12.479 1.00 38.68 C ATOM 1438 O PRO A 915 11.063 1.375 12.950 1.00 39.27 O ATOM 1439 CB PRO A 915 8.753 2.066 11.212 1.00 43.61 C ATOM 1440 CG PRO A 915 7.365 1.559 11.561 1.00 46.19 C ATOM 1441 CD PRO A 915 7.276 0.143 11.028 1.00 45.92 C ATOM 1442 N ILE A 916 10.043 -0.633 13.071 1.00 38.18 N ATOM 1443 CA ILE A 916 10.599 -1.028 14.354 1.00 35.54 C ATOM 1444 C ILE A 916 11.682 -2.076 14.097 1.00 36.02 C ATOM 1445 O ILE A 916 11.434 -3.080 13.425 1.00 37.37 O ATOM 1446 CB ILE A 916 9.524 -1.592 15.312 1.00 39.33 C ATOM 1447 CG1 ILE A 916 8.279 -0.704 15.399 1.00 44.64 C ATOM 1448 CG2 ILE A 916 10.128 -1.846 16.692 1.00 38.43 C ATOM 1449 CD1 ILE A 916 8.551 0.674 15.951 1.00 46.46 C ATOM 1450 H ILE A 916 9.406 -1.297 12.587 1.00 0.00 H ATOM 1451 N GLY A 917 12.856 -1.847 14.679 1.00 34.53 N ATOM 1452 CA GLY A 917 13.964 -2.770 14.561 1.00 31.72 C ATOM 1453 C GLY A 917 14.634 -3.032 15.889 1.00 31.33 C ATOM 1454 O GLY A 917 14.340 -2.398 16.906 1.00 31.50 O ATOM 1455 H GLY A 917 12.981 -0.978 15.236 1.00 0.00 H ATOM 1456 N LEU A 918 15.550 -3.986 15.861 1.00 27.91 N ATOM 1457 CA LEU A 918 16.307 -4.364 17.045 1.00 28.19 C ATOM 1458 C LEU A 918 17.788 -4.223 16.757 1.00 26.88 C ATOM 1459 O LEU A 918 18.256 -4.589 15.662 1.00 26.53 O ATOM 1460 CB LEU A 918 16.001 -5.814 17.407 1.00 26.59 C ATOM 1461 CG LEU A 918 14.557 -6.120 17.781 1.00 28.39 C ATOM 1462 CD1 LEU A 918 14.362 -7.622 17.934 1.00 28.77 C ATOM 1463 CD2 LEU A 918 14.172 -5.416 19.061 1.00 30.41 C ATOM 1464 H LEU A 918 15.735 -4.481 14.965 1.00 0.00 H ATOM 1465 N ILE A 919 18.538 -3.798 17.782 1.00 25.28 N ATOM 1466 CA ILE A 919 19.962 -3.599 17.664 1.00 24.06 C ATOM 1467 C ILE A 919 20.635 -3.976 18.979 1.00 23.56 C ATOM 1468 O ILE A 919 20.067 -3.772 20.058 1.00 27.29 O ATOM 1469 CB ILE A 919 20.288 -2.145 17.260 1.00 26.50 C ATOM 1470 CG1 ILE A 919 21.726 -1.976 16.781 1.00 28.67 C ATOM 1471 CG2 ILE A 919 19.981 -1.192 18.389 1.00 27.21 C ATOM 1472 CD1 ILE A 919 21.956 -0.618 16.136 1.00 30.42 C ATOM 1473 H ILE A 919 18.078 -3.605 18.694 1.00 0.00 H ATOM 1474 N LEU A 920 21.834 -4.554 18.880 1.00 21.77 N ATOM 1475 CA LEU A 920 22.600 -5.017 20.041 1.00 21.67 C ATOM 1476 C LEU A 920 23.722 -4.046 20.384 1.00 22.49 C ATOM 1477 O LEU A 920 24.331 -3.430 19.488 1.00 21.86 O ATOM 1478 CB LEU A 920 23.234 -6.373 19.749 1.00 22.80 C ATOM 1479 CG LEU A 920 22.257 -7.523 19.567 1.00 23.93 C ATOM 1480 CD1 LEU A 920 22.902 -8.650 18.761 1.00 25.57 C ATOM 1481 CD2 LEU A 920 21.776 -8.021 20.918 1.00 25.74 C ATOM 1482 H LEU A 920 22.245 -4.682 17.933 1.00 0.00 H ATOM 1483 N LEU A 921 24.009 -3.981 21.677 1.00 22.31 N ATOM 1484 CA LEU A 921 25.273 -3.511 22.176 1.00 21.67 C ATOM 1485 C LEU A 921 26.043 -4.698 22.767 1.00 23.18 C ATOM 1486 O LEU A 921 25.586 -5.364 23.695 1.00 22.48 O ATOM 1487 CB LEU A 921 25.061 -2.421 23.218 1.00 23.12 C ATOM 1488 CG LEU A 921 24.684 -1.049 22.670 1.00 23.99 C ATOM 1489 CD1 LEU A 921 24.162 -0.151 23.770 1.00 26.09 C ATOM 1490 CD2 LEU A 921 25.886 -0.408 21.980 1.00 23.87 C ATOM 1491 H LEU A 921 23.287 -4.284 22.361 1.00 0.00 H ATOM 1492 N GLY A 922 27.242 -4.933 22.235 1.00 23.44 N ATOM 1493 CA GLY A 922 28.133 -5.974 22.721 1.00 25.97 C ATOM 1494 C GLY A 922 29.383 -5.380 23.330 1.00 23.19 C ATOM 1495 O GLY A 922 29.906 -4.367 22.814 1.00 23.44 O ATOM 1496 H GLY A 922 27.555 -4.345 21.436 1.00 0.00 H ATOM 1497 N GLU A 923 29.854 -5.986 24.411 1.00 22.33 N ATOM 1498 CA GLU A 923 31.213 -5.787 24.861 1.00 22.47 C ATOM 1499 C GLU A 923 32.107 -6.653 23.971 1.00 22.08 C ATOM 1500 O GLU A 923 31.973 -7.907 23.971 1.00 23.67 O ATOM 1501 CB GLU A 923 31.373 -6.169 26.327 1.00 22.54 C ATOM 1502 CG GLU A 923 32.807 -6.175 26.824 1.00 25.53 C ATOM 1503 CD GLU A 923 33.002 -6.627 28.260 1.00 28.65 C ATOM 1504 OE1 GLU A 923 31.984 -6.831 28.991 1.00 28.82 O ATOM 1505 OE2 GLU A 923 34.184 -6.794 28.681 1.00 29.99 O ATOM 1506 H GLU A 923 29.230 -6.621 24.949 1.00 0.00 H ATOM 1507 N VAL A 924 33.060 -6.015 23.285 1.00 21.56 N ATOM 1508 CA VAL A 924 33.914 -6.722 22.351 1.00 20.76 C ATOM 1509 C VAL A 924 35.354 -6.585 22.837 1.00 22.56 C ATOM 1510 O VAL A 924 35.840 -5.455 23.030 1.00 23.07 O ATOM 1511 CB VAL A 924 33.748 -6.187 20.915 1.00 21.57 C ATOM 1512 CG1 VAL A 924 34.548 -7.031 19.936 1.00 23.31 C ATOM 1513 CG2 VAL A 924 32.280 -6.105 20.488 1.00 22.59 C ATOM 1514 H VAL A 924 33.191 -4.993 23.424 1.00 0.00 H ATOM 1515 N ALA A 925 36.024 -7.723 23.005 1.00 23.61 N ATOM 1516 CA ALA A 925 37.383 -7.773 23.504 1.00 24.01 C ATOM 1517 C ALA A 925 38.338 -7.610 22.313 1.00 25.40 C ATOM 1518 O ALA A 925 38.678 -8.594 21.633 1.00 26.42 O ATOM 1519 CB ALA A 925 37.612 -9.055 24.283 1.00 24.31 C ATOM 1520 H ALA A 925 35.550 -8.617 22.767 1.00 0.00 H ATOM 1521 N LEU A 926 38.711 -6.356 22.015 1.00 24.43 N ATOM 1522 CA LEU A 926 39.443 -6.059 20.762 1.00 23.84 C ATOM 1523 C LEU A 926 40.955 -6.266 20.917 1.00 24.39 C ATOM 1524 O LEU A 926 41.656 -6.546 19.947 1.00 24.83 O ATOM 1525 CB LEU A 926 39.152 -4.629 20.315 1.00 22.81 C ATOM 1526 CG LEU A 926 37.710 -4.299 19.969 1.00 24.09 C ATOM 1527 CD1 LEU A 926 37.494 -2.800 19.893 1.00 26.82 C ATOM 1528 CD2 LEU A 926 37.295 -4.964 18.657 1.00 25.85 C ATOM 1529 H LEU A 926 38.483 -5.583 22.672 1.00 0.00 H ATOM 1530 N GLY A 927 41.491 -6.022 22.105 1.00 23.26 N ATOM 1531 CA GLY A 927 42.912 -6.139 22.328 1.00 24.41 C ATOM 1532 C GLY A 927 43.701 -5.289 21.346 1.00 24.35 C ATOM 1533 O GLY A 927 43.356 -4.141 21.095 1.00 25.84 O ATOM 1534 H GLY A 927 40.874 -5.740 22.893 1.00 0.00 H ATOM 1535 N ASN A 928 44.792 -5.859 20.823 1.00 24.69 N ATOM 1536 CA ASN A 928 45.615 -5.187 19.802 1.00 25.76 C ATOM 1537 C ASN A 928 44.915 -5.283 18.447 1.00 25.08 C ATOM 1538 O ASN A 928 44.763 -6.369 17.890 1.00 26.16 O ATOM 1539 CB ASN A 928 47.009 -5.804 19.774 1.00 27.29 C ATOM 1540 CG ASN A 928 47.777 -5.578 21.053 1.00 32.86 C ATOM 1541 OD1 ASN A 928 47.683 -4.517 21.675 1.00 32.91 O ATOM 1542 ND2 ASN A 928 48.570 -6.568 21.441 1.00 36.86 N ATOM 1543 HD22 ASN A 928 48.617 -7.445 20.884 1.00 0.00 H ATOM 1544 HD21 ASN A 928 49.145 -6.467 22.302 1.00 0.00 H ATOM 1545 H ASN A 928 45.069 -6.808 21.148 1.00 0.00 H ATOM 1546 N MET A 929 44.535 -4.129 17.891 1.00 25.11 N ATOM 1547 CA MET A 929 43.805 -4.052 16.660 1.00 23.85 C ATOM 1548 C MET A 929 44.764 -3.962 15.464 1.00 25.07 C ATOM 1549 O MET A 929 45.724 -3.196 15.449 1.00 25.44 O ATOM 1550 CB MET A 929 42.848 -2.868 16.665 1.00 23.91 C ATOM 1551 CG MET A 929 41.885 -2.890 17.843 1.00 24.91 C ATOM 1552 SD MET A 929 40.762 -1.462 17.846 1.00 27.06 S ATOM 1553 CE MET A 929 41.908 -0.098 17.990 1.00 31.26 C ATOM 1554 H MET A 929 44.781 -3.242 18.376 1.00 0.00 H ATOM 1555 N TYR A 930 44.460 -4.765 14.444 1.00 22.44 N ATOM 1556 CA TYR A 930 45.090 -4.701 13.138 1.00 22.58 C ATOM 1557 C TYR A 930 44.293 -3.703 12.308 1.00 23.42 C ATOM 1558 O TYR A 930 43.148 -3.977 11.889 1.00 23.76 O ATOM 1559 CB TYR A 930 45.128 -6.096 12.494 1.00 21.65 C ATOM 1560 CG TYR A 930 45.892 -6.223 11.189 1.00 21.62 C ATOM 1561 CD1 TYR A 930 47.005 -5.445 10.884 1.00 25.20 C ATOM 1562 CD2 TYR A 930 45.595 -7.250 10.306 1.00 24.16 C ATOM 1563 CE1 TYR A 930 47.742 -5.627 9.717 1.00 24.29 C ATOM 1564 CE2 TYR A 930 46.320 -7.450 9.144 1.00 23.81 C ATOM 1565 CZ TYR A 930 47.380 -6.618 8.820 1.00 27.97 C ATOM 1566 OH TYR A 930 48.121 -6.865 7.686 1.00 28.12 O ATOM 1567 HH TYR A 930 48.530 -7.764 7.750 1.00 0.00 H ATOM 1568 H TYR A 930 43.724 -5.484 14.594 1.00 0.00 H ATOM 1569 N GLU A 931 44.897 -2.532 12.076 1.00 23.59 N ATOM 1570 CA GLU A 931 44.132 -1.383 11.545 1.00 23.72 C ATOM 1571 C GLU A 931 44.339 -1.270 10.035 1.00 24.21 C ATOM 1572 O GLU A 931 45.446 -1.063 9.601 1.00 26.14 O ATOM 1573 CB GLU A 931 44.562 -0.117 12.283 1.00 25.88 C ATOM 1574 CG GLU A 931 44.186 -0.166 13.764 1.00 27.55 C ATOM 1575 CD GLU A 931 44.354 1.099 14.602 1.00 34.86 C ATOM 1576 OE1 GLU A 931 44.862 2.084 14.096 1.00 35.28 O ATOM 1577 OE2 GLU A 931 43.946 1.079 15.776 1.00 47.65 O ATOM 1578 H GLU A 931 45.913 -2.429 12.271 1.00 0.00 H ATOM 1579 N LEU A 932 43.256 -1.381 9.279 1.00 23.15 N ATOM 1580 CA LEU A 932 43.297 -1.428 7.810 1.00 22.16 C ATOM 1581 C LEU A 932 42.362 -0.375 7.220 1.00 23.69 C ATOM 1582 O LEU A 932 41.411 0.036 7.882 1.00 24.56 O ATOM 1583 CB LEU A 932 42.884 -2.833 7.368 1.00 23.85 C ATOM 1584 CG LEU A 932 43.794 -3.964 7.830 1.00 25.85 C ATOM 1585 CD1 LEU A 932 43.192 -5.315 7.432 1.00 27.66 C ATOM 1586 CD2 LEU A 932 45.194 -3.820 7.276 1.00 28.19 C ATOM 1587 H LEU A 932 42.330 -1.438 9.749 1.00 0.00 H ATOM 1588 N LYS A 933 42.661 0.040 5.987 1.00 24.18 N ATOM 1589 CA LYS A 933 41.939 1.098 5.317 1.00 25.19 C ATOM 1590 C LYS A 933 41.316 0.619 4.001 1.00 28.17 C ATOM 1591 O LYS A 933 40.586 1.369 3.409 1.00 31.49 O ATOM 1592 CB LYS A 933 42.908 2.263 5.051 1.00 27.01 C ATOM 1593 CG LYS A 933 43.460 2.855 6.341 1.00 28.99 C ATOM 1594 CD LYS A 933 44.148 4.174 6.175 1.00 32.92 C ATOM 1595 CE LYS A 933 45.452 4.065 5.423 1.00 34.52 C ATOM 1596 NZ LYS A 933 46.074 5.399 5.277 1.00 35.86 N ATOM 1597 HZ1 LYS A 933 45.430 6.025 4.752 1.00 0.00 H ATOM 1598 HZ2 LYS A 933 46.257 5.800 6.219 1.00 0.00 H ATOM 1599 HZ3 LYS A 933 46.970 5.307 4.758 1.00 0.00 H ATOM 1600 H LYS A 933 43.449 -0.418 5.486 1.00 0.00 H ATOM 1601 N HIS A 934 41.604 -0.617 3.558 1.00 26.56 N ATOM 1602 CA HIS A 934 41.100 -1.121 2.278 1.00 27.40 C ATOM 1603 C HIS A 934 40.752 -2.591 2.466 1.00 26.82 C ATOM 1604 O HIS A 934 41.346 -3.258 3.311 1.00 26.88 O ATOM 1605 CB HIS A 934 42.100 -0.954 1.132 1.00 30.07 C ATOM 1606 CG HIS A 934 42.516 0.465 0.940 1.00 31.96 C ATOM 1607 ND1 HIS A 934 41.661 1.405 0.405 1.00 35.18 N ATOM 1608 CD2 HIS A 934 43.643 1.113 1.295 1.00 35.51 C ATOM 1609 CE1 HIS A 934 42.269 2.578 0.389 1.00 35.70 C ATOM 1610 NE2 HIS A 934 43.486 2.424 0.933 1.00 35.26 N ATOM 1611 H HIS A 934 42.203 -1.235 4.142 1.00 0.00 H ATOM 1612 N ALA A 935 39.762 -3.065 1.706 1.00 26.59 N ATOM 1613 CA ALA A 935 39.298 -4.444 1.825 1.00 26.30 C ATOM 1614 C ALA A 935 40.465 -5.437 1.718 1.00 26.02 C ATOM 1615 O ALA A 935 41.308 -5.345 0.832 1.00 28.14 O ATOM 1616 CB ALA A 935 38.256 -4.735 0.765 1.00 28.46 C ATOM 1617 H ALA A 935 39.310 -2.436 1.012 1.00 0.00 H ATOM 1618 N SER A 936 40.453 -6.437 2.605 1.00 26.22 N ATOM 1619 CA SER A 936 41.471 -7.475 2.645 1.00 28.34 C ATOM 1620 C SER A 936 40.929 -8.649 3.458 1.00 26.88 C ATOM 1621 O SER A 936 40.588 -8.469 4.621 1.00 26.65 O ATOM 1622 CB SER A 936 42.747 -6.967 3.265 1.00 30.52 C ATOM 1623 OG SER A 936 43.758 -7.951 3.151 1.00 35.96 O ATOM 1624 HG SER A 936 44.594 -7.613 3.560 1.00 0.00 H ATOM 1625 H SER A 936 39.679 -6.475 3.299 1.00 0.00 H ATOM 1626 N HIS A 937 40.791 -9.817 2.822 1.00 28.82 N ATOM 1627 CA HIS A 937 40.229 -10.992 3.472 1.00 32.19 C ATOM 1628 C HIS A 937 41.380 -11.783 4.096 1.00 31.64 C ATOM 1629 O HIS A 937 41.883 -12.713 3.526 1.00 38.80 O ATOM 1630 CB HIS A 937 39.435 -11.823 2.467 1.00 31.53 C ATOM 1631 CG HIS A 937 38.207 -11.142 1.964 1.00 31.88 C ATOM 1632 ND1 HIS A 937 37.436 -11.689 0.958 1.00 39.96 N ATOM 1633 CD2 HIS A 937 37.665 -9.939 2.238 1.00 35.88 C ATOM 1634 CE1 HIS A 937 36.418 -10.891 0.724 1.00 35.80 C ATOM 1635 NE2 HIS A 937 36.543 -9.810 1.466 1.00 38.45 N ATOM 1636 H HIS A 937 41.095 -9.888 1.830 1.00 0.00 H ATOM 1637 N ILE A 938 41.817 -11.312 5.260 1.00 36.45 N ATOM 1638 CA ILE A 938 43.102 -11.771 5.812 1.00 40.01 C ATOM 1639 C ILE A 938 42.990 -13.265 6.159 1.00 39.36 C ATOM 1640 O ILE A 938 41.968 -13.702 6.682 1.00 37.61 O ATOM 1641 CB ILE A 938 43.506 -10.897 7.017 1.00 39.80 C ATOM 1642 CG1 ILE A 938 42.461 -10.924 8.134 1.00 39.98 C ATOM 1643 CG2 ILE A 938 43.799 -9.467 6.565 1.00 38.52 C ATOM 1644 CD1 ILE A 938 43.000 -10.412 9.454 1.00 40.44 C ATOM 1645 H ILE A 938 41.248 -10.616 5.783 1.00 0.00 H ATOM 1646 N SER A 939 44.047 -14.033 5.869 1.00 41.43 N ATOM 1647 CA SER A 939 44.029 -15.497 6.130 1.00 44.08 C ATOM 1648 C SER A 939 44.193 -15.788 7.632 1.00 45.66 C ATOM 1649 O SER A 939 43.718 -16.802 8.127 1.00 48.31 O ATOM 1650 CB SER A 939 45.058 -16.227 5.311 1.00 46.48 C ATOM 1651 OG SER A 939 46.354 -15.694 5.513 1.00 51.76 O ATOM 1652 HG SER A 939 47.005 -16.195 4.961 1.00 0.00 H ATOM 1653 H SER A 939 44.896 -13.598 5.454 1.00 0.00 H ATOM 1654 N LYS A 940 44.845 -14.867 8.353 1.00 39.70 N ATOM 1655 CA LYS A 940 45.207 -15.066 9.751 1.00 40.35 C ATOM 1656 C LYS A 940 45.573 -13.703 10.332 1.00 32.02 C ATOM 1657 O LYS A 940 46.050 -12.847 9.615 1.00 35.24 O ATOM 1658 CB LYS A 940 46.413 -16.010 9.843 1.00 45.98 C ATOM 1659 CG LYS A 940 46.614 -16.680 11.196 1.00 57.56 C ATOM 1660 CD LYS A 940 47.836 -17.580 11.266 1.00 64.41 C ATOM 1661 CE LYS A 940 48.018 -18.217 12.628 1.00 67.70 C ATOM 1662 NZ LYS A 940 49.413 -18.674 12.827 1.00 71.62 N ATOM 1663 HZ1 LYS A 940 49.654 -19.376 12.098 1.00 0.00 H ATOM 1664 HZ2 LYS A 940 50.057 -17.861 12.753 1.00 0.00 H ATOM 1665 HZ3 LYS A 940 49.504 -19.105 13.769 1.00 0.00 H ATOM 1666 H LYS A 940 45.105 -13.970 7.895 1.00 0.00 H ATOM 1667 N LEU A 941 45.281 -13.493 11.621 1.00 30.80 N ATOM 1668 CA LEU A 941 45.698 -12.267 12.270 1.00 27.24 C ATOM 1669 C LEU A 941 47.208 -12.287 12.454 1.00 27.46 C ATOM 1670 O LEU A 941 47.801 -13.308 12.786 1.00 29.74 O ATOM 1671 CB LEU A 941 45.012 -12.124 13.626 1.00 28.05 C ATOM 1672 CG LEU A 941 43.537 -11.743 13.589 1.00 29.45 C ATOM 1673 CD1 LEU A 941 42.911 -12.019 14.950 1.00 31.78 C ATOM 1674 CD2 LEU A 941 43.348 -10.297 13.181 1.00 31.92 C ATOM 1675 H LEU A 941 44.754 -14.211 12.158 1.00 0.00 H ATOM 1676 N PRO A 942 47.878 -11.129 12.288 1.00 27.43 N ATOM 1677 CA PRO A 942 49.290 -11.034 12.623 1.00 28.81 C ATOM 1678 C PRO A 942 49.562 -11.378 14.091 1.00 28.93 C ATOM 1679 O PRO A 942 48.668 -11.231 14.931 1.00 30.62 O ATOM 1680 CB PRO A 942 49.607 -9.547 12.368 1.00 29.41 C ATOM 1681 CG PRO A 942 48.594 -9.131 11.330 1.00 27.73 C ATOM 1682 CD PRO A 942 47.345 -9.886 11.708 1.00 25.95 C ATOM 1683 N LYS A 943 50.831 -11.703 14.367 1.00 31.34 N ATOM 1684 CA LYS A 943 51.282 -12.110 15.697 1.00 35.11 C ATOM 1685 C LYS A 943 50.992 -10.984 16.691 1.00 31.75 C ATOM 1686 O LYS A 943 51.298 -9.837 16.431 1.00 32.11 O ATOM 1687 CB LYS A 943 52.783 -12.412 15.675 1.00 41.99 C ATOM 1688 CG LYS A 943 53.173 -13.642 14.870 1.00 54.63 C ATOM 1689 CD LYS A 943 52.854 -14.952 15.552 1.00 60.02 C ATOM 1690 CE LYS A 943 53.135 -16.156 14.672 1.00 62.68 C ATOM 1691 NZ LYS A 943 54.436 -16.055 13.963 1.00 59.11 N ATOM 1692 HZ1 LYS A 943 54.435 -15.210 13.357 1.00 0.00 H ATOM 1693 HZ2 LYS A 943 55.204 -15.982 14.660 1.00 0.00 H ATOM 1694 HZ3 LYS A 943 54.577 -16.903 13.377 1.00 0.00 H ATOM 1695 H LYS A 943 51.530 -11.664 13.598 1.00 0.00 H ATOM 1696 N GLY A 944 50.322 -11.325 17.794 1.00 35.15 N ATOM 1697 CA GLY A 944 50.012 -10.338 18.823 1.00 33.60 C ATOM 1698 C GLY A 944 48.709 -9.582 18.598 1.00 31.64 C ATOM 1699 O GLY A 944 48.289 -8.843 19.506 1.00 36.02 O ATOM 1700 H GLY A 944 50.016 -12.311 17.922 1.00 0.00 H ATOM 1701 N LYS A 945 48.054 -9.726 17.431 1.00 26.87 N ATOM 1702 CA LYS A 945 46.834 -8.982 17.128 1.00 26.61 C ATOM 1703 C LYS A 945 45.600 -9.829 17.464 1.00 27.65 C ATOM 1704 O LYS A 945 45.673 -11.068 17.342 1.00 29.88 O ATOM 1705 CB LYS A 945 46.760 -8.607 15.644 1.00 26.41 C ATOM 1706 CG LYS A 945 47.841 -7.643 15.172 1.00 28.27 C ATOM 1707 CD LYS A 945 47.713 -6.251 15.750 1.00 29.60 C ATOM 1708 CE LYS A 945 48.656 -5.258 15.091 1.00 29.68 C ATOM 1709 NZ LYS A 945 48.541 -3.927 15.736 1.00 30.14 N ATOM 1710 HZ1 LYS A 945 47.565 -3.581 15.642 1.00 0.00 H ATOM 1711 HZ2 LYS A 945 48.786 -4.009 16.744 1.00 0.00 H ATOM 1712 HZ3 LYS A 945 49.192 -3.261 15.273 1.00 0.00 H ATOM 1713 H LYS A 945 48.429 -10.388 16.722 1.00 0.00 H ATOM 1714 N HIS A 946 44.512 -9.174 17.896 1.00 25.80 N ATOM 1715 CA HIS A 946 43.292 -9.867 18.388 1.00 25.76 C ATOM 1716 C HIS A 946 42.041 -9.574 17.552 1.00 25.59 C ATOM 1717 O HIS A 946 41.028 -10.241 17.702 1.00 26.07 O ATOM 1718 CB HIS A 946 43.046 -9.541 19.880 1.00 26.53 C ATOM 1719 CG HIS A 946 44.225 -9.800 20.745 1.00 30.53 C ATOM 1720 ND1 HIS A 946 45.100 -8.792 21.145 1.00 30.08 N ATOM 1721 CD2 HIS A 946 44.714 -10.947 21.266 1.00 32.37 C ATOM 1722 CE1 HIS A 946 46.064 -9.305 21.869 1.00 33.71 C ATOM 1723 NE2 HIS A 946 45.833 -10.634 21.994 1.00 34.91 N ATOM 1724 H HIS A 946 44.522 -8.134 17.886 1.00 0.00 H ATOM 1725 N SER A 947 42.056 -8.544 16.715 1.00 22.53 N ATOM 1726 CA SER A 947 40.914 -8.038 16.002 1.00 22.00 C ATOM 1727 C SER A 947 41.406 -7.202 14.803 1.00 22.57 C ATOM 1728 O SER A 947 42.608 -6.874 14.724 1.00 23.61 O ATOM 1729 CB SER A 947 40.042 -7.196 16.905 1.00 21.96 C ATOM 1730 OG SER A 947 40.743 -6.024 17.329 1.00 23.73 O ATOM 1731 HG SER A 947 41.558 -6.289 17.825 1.00 0.00 H ATOM 1732 H SER A 947 42.966 -8.065 16.563 1.00 0.00 H ATOM 1733 N VAL A 948 40.474 -6.866 13.914 1.00 20.12 N ATOM 1734 CA VAL A 948 40.678 -5.892 12.818 1.00 21.06 C ATOM 1735 C VAL A 948 39.820 -4.661 13.108 1.00 22.11 C ATOM 1736 O VAL A 948 38.678 -4.754 13.549 1.00 23.12 O ATOM 1737 CB VAL A 948 40.372 -6.500 11.434 1.00 22.70 C ATOM 1738 CG1 VAL A 948 40.177 -5.447 10.351 1.00 25.32 C ATOM 1739 CG2 VAL A 948 41.441 -7.504 11.053 1.00 24.02 C ATOM 1740 H VAL A 948 39.541 -7.318 13.995 1.00 0.00 H ATOM 1741 N LYS A 949 40.391 -3.469 12.869 1.00 21.63 N ATOM 1742 CA LYS A 949 39.631 -2.248 12.836 1.00 21.63 C ATOM 1743 C LYS A 949 39.784 -1.625 11.449 1.00 23.28 C ATOM 1744 O LYS A 949 40.910 -1.380 11.025 1.00 24.59 O ATOM 1745 CB LYS A 949 40.079 -1.217 13.872 1.00 21.65 C ATOM 1746 CG LYS A 949 39.236 0.059 13.878 1.00 23.77 C ATOM 1747 CD LYS A 949 39.726 1.070 14.892 1.00 25.03 C ATOM 1748 CE LYS A 949 39.010 2.399 14.787 1.00 27.70 C ATOM 1749 NZ LYS A 949 39.714 3.428 15.583 1.00 31.10 N ATOM 1750 HZ1 LYS A 949 39.741 3.135 16.580 1.00 0.00 H ATOM 1751 HZ2 LYS A 949 40.685 3.536 15.226 1.00 0.00 H ATOM 1752 HZ3 LYS A 949 39.210 4.334 15.500 1.00 0.00 H ATOM 1753 H LYS A 949 41.417 -3.427 12.702 1.00 0.00 H ATOM 1754 N GLY A 950 38.661 -1.420 10.751 1.00 21.52 N ATOM 1755 CA GLY A 950 38.652 -0.605 9.540 1.00 21.41 C ATOM 1756 C GLY A 950 38.545 0.860 9.911 1.00 22.92 C ATOM 1757 O GLY A 950 37.671 1.211 10.712 1.00 23.98 O ATOM 1758 H GLY A 950 37.773 -1.852 11.079 1.00 0.00 H ATOM 1759 N LEU A 951 39.474 1.677 9.420 1.00 22.87 N ATOM 1760 CA LEU A 951 39.583 3.116 9.793 1.00 25.58 C ATOM 1761 C LEU A 951 38.726 3.959 8.865 1.00 25.65 C ATOM 1762 O LEU A 951 39.018 4.052 7.679 1.00 26.32 O ATOM 1763 CB LEU A 951 41.033 3.616 9.725 1.00 25.52 C ATOM 1764 CG LEU A 951 42.032 2.937 10.659 1.00 25.76 C ATOM 1765 CD1 LEU A 951 43.424 3.566 10.553 1.00 29.27 C ATOM 1766 CD2 LEU A 951 41.551 2.965 12.078 1.00 27.51 C ATOM 1767 H LEU A 951 40.160 1.291 8.740 1.00 0.00 H ATOM 1768 N GLY A 952 37.698 4.606 9.434 1.00 24.69 N ATOM 1769 CA GLY A 952 36.856 5.532 8.736 1.00 26.18 C ATOM 1770 C GLY A 952 37.407 6.937 8.654 1.00 26.31 C ATOM 1771 O GLY A 952 38.308 7.321 9.410 1.00 26.25 O ATOM 1772 H GLY A 952 37.501 4.425 10.439 1.00 0.00 H ATOM 1773 N LYS A 953 36.818 7.735 7.751 1.00 25.77 N ATOM 1774 CA LYS A 953 37.048 9.173 7.675 1.00 26.90 C ATOM 1775 C LYS A 953 36.449 9.931 8.872 1.00 26.32 C ATOM 1776 O LYS A 953 36.866 11.081 9.115 1.00 27.95 O ATOM 1777 CB LYS A 953 36.428 9.760 6.401 1.00 30.75 C ATOM 1778 CG LYS A 953 37.039 9.282 5.094 1.00 33.46 C ATOM 1779 CD LYS A 953 38.416 9.851 4.836 1.00 37.67 C ATOM 1780 CE LYS A 953 38.437 11.312 4.443 1.00 42.20 C ATOM 1781 NZ LYS A 953 39.823 11.767 4.160 1.00 43.72 N ATOM 1782 HZ1 LYS A 953 40.408 11.641 5.010 1.00 0.00 H ATOM 1783 HZ2 LYS A 953 40.218 11.205 3.379 1.00 0.00 H ATOM 1784 HZ3 LYS A 953 39.809 12.772 3.893 1.00 0.00 H ATOM 1785 H LYS A 953 36.162 7.305 7.068 1.00 0.00 H ATOM 1786 N THR A 954 35.430 9.345 9.526 1.00 28.21 N ATOM 1787 CA THR A 954 34.725 9.980 10.628 1.00 28.37 C ATOM 1788 C THR A 954 34.740 9.031 11.831 1.00 26.87 C ATOM 1789 O THR A 954 34.611 7.820 11.687 1.00 27.95 O ATOM 1790 CB THR A 954 33.281 10.352 10.266 1.00 29.07 C ATOM 1791 OG1 THR A 954 33.285 11.391 9.292 1.00 30.46 O ATOM 1792 CG2 THR A 954 32.481 10.814 11.474 1.00 33.53 C ATOM 1793 HG1 THR A 954 33.758 11.079 8.480 1.00 0.00 H ATOM 1794 H THR A 954 35.133 8.394 9.230 1.00 0.00 H ATOM 1795 N THR A 955 34.974 9.598 13.005 1.00 26.86 N ATOM 1796 CA THR A 955 35.100 8.819 14.255 1.00 27.21 C ATOM 1797 C THR A 955 34.354 9.566 15.360 1.00 27.06 C ATOM 1798 O THR A 955 34.384 10.790 15.415 1.00 27.42 O ATOM 1799 CB THR A 955 36.578 8.619 14.639 1.00 31.80 C ATOM 1800 OG1 THR A 955 36.601 7.805 15.819 1.00 33.53 O ATOM 1801 CG2 THR A 955 37.360 9.878 14.919 1.00 30.81 C ATOM 1802 HG1 THR A 955 36.110 8.265 16.545 1.00 0.00 H ATOM 1803 H THR A 955 35.073 10.632 13.049 1.00 0.00 H ATOM 1804 N PRO A 956 33.712 8.871 16.326 1.00 27.62 N ATOM 1805 CA PRO A 956 33.291 9.552 17.549 1.00 29.08 C ATOM 1806 C PRO A 956 34.528 10.210 18.173 1.00 28.63 C ATOM 1807 O PRO A 956 35.580 9.625 18.129 1.00 30.24 O ATOM 1808 CB PRO A 956 32.731 8.414 18.410 1.00 28.19 C ATOM 1809 CG PRO A 956 32.315 7.356 17.402 1.00 29.67 C ATOM 1810 CD PRO A 956 33.337 7.440 16.289 1.00 27.79 C ATOM 1811 N ASP A 957 34.372 11.413 18.720 1.00 31.18 N ATOM 1812 CA ASP A 957 35.456 12.193 19.328 1.00 33.69 C ATOM 1813 C ASP A 957 36.052 11.380 20.478 1.00 33.84 C ATOM 1814 O ASP A 957 35.358 11.106 21.458 1.00 37.35 O ATOM 1815 CB ASP A 957 34.931 13.545 19.798 1.00 38.27 C ATOM 1816 CG ASP A 957 36.011 14.472 20.315 1.00 41.93 C ATOM 1817 OD1 ASP A 957 37.158 14.003 20.495 1.00 40.78 O ATOM 1818 OD2 ASP A 957 35.703 15.659 20.492 1.00 43.54 O ATOM 1819 H ASP A 957 33.418 11.828 18.716 1.00 0.00 H ATOM 1820 N PRO A 958 37.315 10.914 20.372 1.00 38.62 N ATOM 1821 CA PRO A 958 37.924 10.087 21.421 1.00 42.82 C ATOM 1822 C PRO A 958 37.973 10.761 22.801 1.00 44.79 C ATOM 1823 O PRO A 958 37.931 10.090 23.843 1.00 44.57 O ATOM 1824 CB PRO A 958 39.351 9.829 20.916 1.00 43.05 C ATOM 1825 CG PRO A 958 39.292 10.067 19.431 1.00 45.33 C ATOM 1826 CD PRO A 958 38.208 11.103 19.220 1.00 42.25 C ATOM 1827 N SER A 959 38.026 12.096 22.812 1.00 46.08 N ATOM 1828 CA SER A 959 38.073 12.837 24.053 1.00 48.49 C ATOM 1829 C SER A 959 36.783 12.644 24.865 1.00 45.92 C ATOM 1830 O SER A 959 36.777 12.911 26.039 1.00 44.88 O ATOM 1831 CB SER A 959 38.371 14.309 23.798 1.00 50.57 C ATOM 1832 OG SER A 959 37.171 15.069 23.712 1.00 53.36 O ATOM 1833 HG SER A 959 36.670 14.990 24.562 1.00 0.00 H ATOM 1834 H SER A 959 38.034 12.613 21.910 1.00 0.00 H ATOM 1835 N ALA A 960 35.707 12.123 24.252 1.00 40.45 N ATOM 1836 CA ALA A 960 34.416 12.003 24.928 1.00 40.29 C ATOM 1837 C ALA A 960 34.136 10.551 25.375 1.00 37.23 C ATOM 1838 O ALA A 960 33.082 10.285 25.951 1.00 36.45 O ATOM 1839 CB ALA A 960 33.326 12.511 24.020 1.00 41.84 C ATOM 1840 H ALA A 960 35.795 11.796 23.269 1.00 0.00 H ATOM 1841 N ASN A 961 35.077 9.628 25.157 1.00 35.35 N ATOM 1842 CA ASN A 961 34.896 8.247 25.628 1.00 33.26 C ATOM 1843 C ASN A 961 34.624 8.243 27.131 1.00 35.08 C ATOM 1844 O ASN A 961 35.223 9.040 27.882 1.00 36.82 O ATOM 1845 CB ASN A 961 36.101 7.327 25.413 1.00 36.46 C ATOM 1846 CG ASN A 961 36.424 7.020 23.972 1.00 37.20 C ATOM 1847 OD1 ASN A 961 35.680 7.360 23.055 1.00 35.35 O ATOM 1848 ND2 ASN A 961 37.554 6.365 23.763 1.00 43.07 N ATOM 1849 HD22 ASN A 961 38.155 6.096 24.568 1.00 0.00 H ATOM 1850 HD21 ASN A 961 37.841 6.119 22.794 1.00 0.00 H ATOM 1851 H ASN A 961 35.946 9.889 24.649 1.00 0.00 H ATOM 1852 N ILE A 962 33.720 7.352 27.569 1.00 31.95 N ATOM 1853 CA ILE A 962 33.485 7.122 28.980 1.00 34.62 C ATOM 1854 C ILE A 962 33.591 5.618 29.241 1.00 35.99 C ATOM 1855 O ILE A 962 33.702 4.821 28.306 1.00 36.13 O ATOM 1856 CB ILE A 962 32.136 7.708 29.446 1.00 37.58 C ATOM 1857 CG1 ILE A 962 30.934 7.053 28.766 1.00 40.30 C ATOM 1858 CG2 ILE A 962 32.116 9.215 29.252 1.00 40.55 C ATOM 1859 CD1 ILE A 962 30.263 5.982 29.581 1.00 44.00 C ATOM 1860 H ILE A 962 33.171 6.809 26.873 1.00 0.00 H ATOM 1861 N SER A 963 33.555 5.264 30.526 1.00 38.48 N ATOM 1862 CA SER A 963 33.709 3.900 30.996 1.00 39.81 C ATOM 1863 C SER A 963 32.417 3.466 31.691 1.00 42.56 C ATOM 1864 O SER A 963 31.959 4.151 32.612 1.00 45.56 O ATOM 1865 CB SER A 963 34.898 3.804 31.921 1.00 45.89 C ATOM 1866 OG SER A 963 35.151 2.458 32.282 1.00 52.43 O ATOM 1867 HG SER A 963 35.933 2.421 32.887 1.00 0.00 H ATOM 1868 H SER A 963 33.408 6.011 31.234 1.00 0.00 H ATOM 1869 N LEU A 964 31.839 2.344 31.236 1.00 40.13 N ATOM 1870 CA LEU A 964 30.634 1.751 31.821 1.00 40.73 C ATOM 1871 C LEU A 964 30.977 0.312 32.221 1.00 41.07 C ATOM 1872 O LEU A 964 31.214 -0.543 31.358 1.00 36.09 O ATOM 1873 CB LEU A 964 29.490 1.808 30.803 1.00 39.30 C ATOM 1874 CG LEU A 964 28.166 1.168 31.221 1.00 42.81 C ATOM 1875 CD1 LEU A 964 27.577 1.855 32.450 1.00 45.92 C ATOM 1876 CD2 LEU A 964 27.176 1.189 30.061 1.00 40.35 C ATOM 1877 H LEU A 964 32.272 1.867 30.420 1.00 0.00 H ATOM 1878 N ASP A 965 31.067 0.072 33.536 1.00 41.73 N ATOM 1879 CA ASP A 965 31.354 -1.259 34.065 1.00 44.43 C ATOM 1880 C ASP A 965 32.649 -1.797 33.441 1.00 41.93 C ATOM 1881 O ASP A 965 32.733 -2.962 33.074 1.00 41.12 O ATOM 1882 CB ASP A 965 30.174 -2.201 33.801 1.00 46.59 C ATOM 1883 CG ASP A 965 28.915 -1.836 34.569 1.00 55.51 C ATOM 1884 OD1 ASP A 965 29.045 -1.435 35.749 1.00 61.03 O ATOM 1885 OD2 ASP A 965 27.813 -1.960 33.985 1.00 56.76 O ATOM 1886 H ASP A 965 30.928 0.859 34.202 1.00 0.00 H ATOM 1887 N GLY A 966 33.658 -0.931 33.323 1.00 42.62 N ATOM 1888 CA GLY A 966 34.988 -1.322 32.856 1.00 38.99 C ATOM 1889 C GLY A 966 35.096 -1.413 31.342 1.00 40.72 C ATOM 1890 O GLY A 966 36.146 -1.778 30.821 1.00 41.07 O ATOM 1891 H GLY A 966 33.491 0.064 33.574 1.00 0.00 H ATOM 1892 N VAL A 967 34.027 -1.058 30.625 1.00 33.32 N ATOM 1893 CA VAL A 967 34.036 -1.136 29.164 1.00 29.36 C ATOM 1894 C VAL A 967 34.033 0.297 28.595 1.00 31.46 C ATOM 1895 O VAL A 967 33.244 1.096 29.023 1.00 32.42 O ATOM 1896 CB VAL A 967 32.862 -1.986 28.659 1.00 31.17 C ATOM 1897 CG1 VAL A 967 32.849 -2.116 27.150 1.00 27.49 C ATOM 1898 CG2 VAL A 967 32.884 -3.356 29.329 1.00 28.67 C ATOM 1899 H VAL A 967 33.173 -0.720 31.113 1.00 0.00 H ATOM 1900 N ASP A 968 34.879 0.569 27.596 1.00 30.83 N ATOM 1901 CA ASP A 968 34.924 1.906 26.955 1.00 31.63 C ATOM 1902 C ASP A 968 33.687 2.086 26.066 1.00 27.69 C ATOM 1903 O ASP A 968 33.373 1.215 25.283 1.00 26.29 O ATOM 1904 CB ASP A 968 36.201 2.073 26.135 1.00 33.15 C ATOM 1905 CG ASP A 968 37.445 1.991 27.005 1.00 44.94 C ATOM 1906 OD1 ASP A 968 37.396 2.508 28.151 1.00 44.36 O ATOM 1907 OD2 ASP A 968 38.440 1.370 26.553 1.00 53.84 O ATOM 1908 H ASP A 968 35.522 -0.176 27.260 1.00 0.00 H ATOM 1909 N VAL A 969 33.033 3.260 26.168 1.00 26.70 N ATOM 1910 CA VAL A 969 31.870 3.585 25.348 1.00 24.45 C ATOM 1911 C VAL A 969 32.195 4.818 24.507 1.00 25.90 C ATOM 1912 O VAL A 969 32.324 5.906 25.080 1.00 27.87 O ATOM 1913 CB VAL A 969 30.600 3.831 26.181 1.00 27.41 C ATOM 1914 CG1 VAL A 969 29.395 4.062 25.277 1.00 28.15 C ATOM 1915 CG2 VAL A 969 30.333 2.708 27.174 1.00 31.44 C ATOM 1916 H VAL A 969 33.370 3.962 26.858 1.00 0.00 H ATOM 1917 N PRO A 970 32.355 4.658 23.174 1.00 25.20 N ATOM 1918 CA PRO A 970 32.748 5.763 22.301 1.00 29.85 C ATOM 1919 C PRO A 970 31.553 6.607 21.843 1.00 28.94 C ATOM 1920 O PRO A 970 31.172 6.547 20.684 1.00 29.00 O ATOM 1921 CB PRO A 970 33.415 5.052 21.127 1.00 26.71 C ATOM 1922 CG PRO A 970 32.653 3.737 21.002 1.00 27.70 C ATOM 1923 CD PRO A 970 32.276 3.378 22.434 1.00 25.90 C ATOM 1924 N LEU A 971 30.964 7.351 22.770 1.00 30.05 N ATOM 1925 CA LEU A 971 29.700 8.060 22.503 1.00 32.09 C ATOM 1926 C LEU A 971 29.909 9.541 22.147 1.00 31.24 C ATOM 1927 O LEU A 971 28.938 10.300 22.112 1.00 33.08 O ATOM 1928 CB LEU A 971 28.743 7.881 23.689 1.00 33.35 C ATOM 1929 CG LEU A 971 29.295 8.136 25.088 1.00 33.78 C ATOM 1930 CD1 LEU A 971 29.877 9.533 25.191 1.00 34.31 C ATOM 1931 CD2 LEU A 971 28.208 7.920 26.135 1.00 34.58 C ATOM 1932 H LEU A 971 31.405 7.436 23.708 1.00 0.00 H ATOM 1933 N GLY A 972 31.141 9.950 21.835 1.00 30.60 N ATOM 1934 CA GLY A 972 31.404 11.310 21.297 1.00 32.45 C ATOM 1935 C GLY A 972 30.669 11.578 19.983 1.00 31.92 C ATOM 1936 O GLY A 972 30.430 10.671 19.199 1.00 31.76 O ATOM 1937 H GLY A 972 31.940 9.298 21.972 1.00 0.00 H ATOM 1938 N THR A 973 30.342 12.850 19.707 1.00 32.80 N ATOM 1939 CA THR A 973 29.782 13.178 18.381 1.00 34.96 C ATOM 1940 C THR A 973 30.867 12.937 17.319 1.00 37.13 C ATOM 1941 O THR A 973 32.070 12.960 17.604 1.00 35.29 O ATOM 1942 CB THR A 973 29.204 14.599 18.303 1.00 42.63 C ATOM 1943 OG1 THR A 973 30.193 15.539 18.708 1.00 47.30 O ATOM 1944 CG2 THR A 973 27.983 14.797 19.174 1.00 44.38 C ATOM 1945 HG1 THR A 973 30.469 15.346 19.639 1.00 0.00 H ATOM 1946 H THR A 973 30.481 13.596 20.419 1.00 0.00 H ATOM 1947 N GLY A 974 30.427 12.707 16.084 1.00 39.99 N ATOM 1948 CA GLY A 974 31.333 12.416 14.966 1.00 39.69 C ATOM 1949 C GLY A 974 32.210 13.613 14.600 1.00 34.64 C ATOM 1950 O GLY A 974 31.769 14.784 14.518 1.00 39.29 O ATOM 1951 H GLY A 974 29.403 12.734 15.904 1.00 0.00 H ATOM 1952 N ILE A 975 33.513 13.354 14.420 1.00 32.58 N ATOM 1953 CA ILE A 975 34.486 14.334 13.964 1.00 32.82 C ATOM 1954 C ILE A 975 35.364 13.691 12.891 1.00 28.65 C ATOM 1955 O ILE A 975 35.399 12.487 12.775 1.00 29.79 O ATOM 1956 CB ILE A 975 35.367 14.904 15.093 1.00 35.22 C ATOM 1957 CG1 ILE A 975 36.232 13.834 15.763 1.00 33.73 C ATOM 1958 CG2 ILE A 975 34.532 15.678 16.107 1.00 40.00 C ATOM 1959 CD1 ILE A 975 37.287 14.399 16.685 1.00 37.57 C ATOM 1960 H ILE A 975 33.850 12.390 14.619 1.00 0.00 H ATOM 1961 N SER A 976 36.065 14.543 12.126 1.00 31.96 N ATOM 1962 CA SER A 976 37.023 14.047 11.148 1.00 30.72 C ATOM 1963 C SER A 976 38.123 13.265 11.890 1.00 31.82 C ATOM 1964 O SER A 976 38.677 13.745 12.845 1.00 32.97 O ATOM 1965 CB SER A 976 37.596 15.149 10.331 1.00 36.25 C ATOM 1966 OG SER A 976 38.678 14.662 9.559 1.00 38.08 O ATOM 1967 HG SER A 976 38.357 13.943 8.960 1.00 0.00 H ATOM 1968 H SER A 976 35.922 15.568 12.233 1.00 0.00 H ATOM 1969 N SER A 977 38.407 12.054 11.417 1.00 28.25 N ATOM 1970 CA SER A 977 39.444 11.192 12.001 1.00 27.18 C ATOM 1971 C SER A 977 40.845 11.672 11.604 1.00 28.54 C ATOM 1972 O SER A 977 41.816 11.289 12.248 1.00 31.86 O ATOM 1973 CB SER A 977 39.257 9.788 11.565 1.00 26.03 C ATOM 1974 OG SER A 977 39.474 9.665 10.165 1.00 26.17 O ATOM 1975 HG SER A 977 39.345 8.722 9.894 1.00 0.00 H ATOM 1976 H SER A 977 37.871 11.702 10.598 1.00 0.00 H ATOM 1977 N GLY A 978 40.951 12.417 10.508 1.00 28.35 N ATOM 1978 CA GLY A 978 42.227 12.811 9.945 1.00 29.62 C ATOM 1979 C GLY A 978 42.949 11.693 9.205 1.00 29.08 C ATOM 1980 O GLY A 978 44.125 11.848 8.814 1.00 31.80 O ATOM 1981 H GLY A 978 40.080 12.731 10.034 1.00 0.00 H ATOM 1982 N VAL A 979 42.263 10.579 8.973 1.00 27.40 N ATOM 1983 CA VAL A 979 42.764 9.468 8.155 1.00 26.90 C ATOM 1984 C VAL A 979 42.475 9.795 6.682 1.00 30.90 C ATOM 1985 O VAL A 979 41.356 10.084 6.334 1.00 32.76 O ATOM 1986 CB VAL A 979 42.107 8.134 8.549 1.00 26.03 C ATOM 1987 CG1 VAL A 979 42.540 6.994 7.650 1.00 26.95 C ATOM 1988 CG2 VAL A 979 42.360 7.778 10.011 1.00 25.22 C ATOM 1989 H VAL A 979 41.317 10.489 9.395 1.00 0.00 H ATOM 1990 N ASN A 980 43.509 9.714 5.850 1.00 29.67 N ATOM 1991 CA ASN A 980 43.422 9.855 4.405 1.00 31.82 C ATOM 1992 C ASN A 980 43.703 8.500 3.770 1.00 31.91 C ATOM 1993 O ASN A 980 44.218 7.610 4.432 1.00 32.20 O ATOM 1994 CB ASN A 980 44.400 10.913 3.907 1.00 34.37 C ATOM 1995 CG ASN A 980 44.046 12.263 4.481 1.00 42.08 C ATOM 1996 OD1 ASN A 980 42.864 12.590 4.606 1.00 44.07 O ATOM 1997 ND2 ASN A 980 45.053 13.015 4.892 1.00 43.05 N ATOM 1998 HD22 ASN A 980 46.032 12.690 4.761 1.00 0.00 H ATOM 1999 HD21 ASN A 980 44.866 13.932 5.346 1.00 0.00 H ATOM 2000 H ASN A 980 44.447 9.537 6.262 1.00 0.00 H ATOM 2001 N ASP A 981 43.317 8.363 2.502 1.00 35.58 N ATOM 2002 CA ASP A 981 43.570 7.149 1.725 1.00 38.66 C ATOM 2003 C ASP A 981 42.853 5.960 2.382 1.00 32.72 C ATOM 2004 O ASP A 981 43.503 4.953 2.700 1.00 32.05 O ATOM 2005 CB ASP A 981 45.078 6.893 1.588 1.00 41.77 C ATOM 2006 CG ASP A 981 45.434 5.611 0.846 1.00 54.20 C ATOM 2007 OD1 ASP A 981 44.758 5.310 -0.164 1.00 57.61 O ATOM 2008 OD2 ASP A 981 46.378 4.909 1.299 1.00 61.01 O ATOM 2009 H ASP A 981 42.815 9.151 2.046 1.00 0.00 H ATOM 2010 N THR A 982 41.539 6.089 2.615 1.00 28.94 N ATOM 2011 CA THR A 982 40.722 4.976 3.192 1.00 26.50 C ATOM 2012 C THR A 982 39.442 4.786 2.351 1.00 26.70 C ATOM 2013 O THR A 982 38.909 5.745 1.793 1.00 30.20 O ATOM 2014 CB THR A 982 40.403 5.167 4.682 1.00 28.19 C ATOM 2015 OG1 THR A 982 39.538 4.094 5.072 1.00 26.64 O ATOM 2016 CG2 THR A 982 39.725 6.477 5.011 1.00 31.74 C ATOM 2017 HG1 THR A 982 39.311 4.186 6.031 1.00 0.00 H ATOM 2018 H THR A 982 41.073 6.991 2.388 1.00 0.00 H ATOM 2019 N SER A 983 38.938 3.546 2.314 1.00 28.11 N ATOM 2020 CA SER A 983 37.725 3.205 1.597 1.00 29.01 C ATOM 2021 C SER A 983 36.482 3.346 2.485 1.00 28.98 C ATOM 2022 O SER A 983 35.392 3.143 1.995 1.00 30.93 O ATOM 2023 CB SER A 983 37.776 1.775 1.079 1.00 33.52 C ATOM 2024 OG SER A 983 38.781 1.645 0.095 1.00 40.68 O ATOM 2025 HG SER A 983 38.802 0.711 -0.232 1.00 0.00 H ATOM 2026 H SER A 983 39.441 2.792 2.824 1.00 0.00 H ATOM 2027 N LEU A 984 36.658 3.616 3.785 1.00 26.02 N ATOM 2028 CA LEU A 984 35.559 3.607 4.745 1.00 27.49 C ATOM 2029 C LEU A 984 35.160 5.021 5.158 1.00 28.50 C ATOM 2030 O LEU A 984 36.024 5.826 5.553 1.00 27.22 O ATOM 2031 CB LEU A 984 36.005 2.842 5.993 1.00 25.93 C ATOM 2032 CG LEU A 984 35.980 1.326 5.866 1.00 29.78 C ATOM 2033 CD1 LEU A 984 36.614 0.673 7.069 1.00 33.46 C ATOM 2034 CD2 LEU A 984 34.532 0.836 5.746 1.00 37.22 C ATOM 2035 H LEU A 984 37.615 3.841 4.123 1.00 0.00 H ATOM 2036 N LEU A 985 33.862 5.311 5.122 1.00 26.73 N ATOM 2037 CA LEU A 985 33.363 6.552 5.724 1.00 26.62 C ATOM 2038 C LEU A 985 33.434 6.512 7.261 1.00 25.22 C ATOM 2039 O LEU A 985 33.682 7.567 7.872 1.00 28.40 O ATOM 2040 CB LEU A 985 31.923 6.803 5.276 1.00 30.00 C ATOM 2041 CG LEU A 985 31.733 7.203 3.815 1.00 35.70 C ATOM 2042 CD1 LEU A 985 30.253 7.336 3.512 1.00 40.12 C ATOM 2043 CD2 LEU A 985 32.470 8.491 3.497 1.00 38.90 C ATOM 2044 H LEU A 985 33.198 4.654 4.665 1.00 0.00 H ATOM 2045 N TYR A 986 33.159 5.349 7.869 1.00 24.92 N ATOM 2046 CA TYR A 986 33.034 5.172 9.318 1.00 24.55 C ATOM 2047 C TYR A 986 33.797 3.911 9.710 1.00 24.37 C ATOM 2048 O TYR A 986 34.016 2.997 8.904 1.00 24.33 O ATOM 2049 CB TYR A 986 31.558 5.077 9.754 1.00 24.83 C ATOM 2050 CG TYR A 986 30.720 6.182 9.174 1.00 26.57 C ATOM 2051 CD1 TYR A 986 30.809 7.464 9.684 1.00 26.81 C ATOM 2052 CD2 TYR A 986 29.874 5.963 8.094 1.00 27.72 C ATOM 2053 CE1 TYR A 986 30.115 8.510 9.115 1.00 28.70 C ATOM 2054 CE2 TYR A 986 29.156 6.996 7.525 1.00 31.23 C ATOM 2055 CZ TYR A 986 29.292 8.277 8.029 1.00 31.49 C ATOM 2056 OH TYR A 986 28.619 9.304 7.460 1.00 33.53 O ATOM 2057 HH TYR A 986 27.646 9.128 7.512 1.00 0.00 H ATOM 2058 H TYR A 986 33.025 4.511 7.268 1.00 0.00 H ATOM 2059 N ASN A 987 34.228 3.875 10.972 1.00 23.53 N ATOM 2060 CA ASN A 987 34.964 2.744 11.465 1.00 24.32 C ATOM 2061 C ASN A 987 34.105 1.472 11.432 1.00 23.43 C ATOM 2062 O ASN A 987 32.863 1.513 11.444 1.00 23.59 O ATOM 2063 CB ASN A 987 35.439 2.956 12.898 1.00 24.58 C ATOM 2064 CG ASN A 987 36.365 4.140 13.079 1.00 26.56 C ATOM 2065 OD1 ASN A 987 37.222 4.405 12.235 1.00 25.96 O ATOM 2066 ND2 ASN A 987 36.233 4.826 14.211 1.00 25.87 N ATOM 2067 HD22 ASN A 987 35.494 4.565 14.894 1.00 0.00 H ATOM 2068 HD21 ASN A 987 36.869 5.624 14.413 1.00 0.00 H ATOM 2069 H ASN A 987 34.029 4.675 11.606 1.00 0.00 H ATOM 2070 N GLU A 988 34.805 0.329 11.445 1.00 22.54 N ATOM 2071 CA GLU A 988 34.178 -0.932 11.814 1.00 23.42 C ATOM 2072 C GLU A 988 35.198 -1.824 12.507 1.00 23.27 C ATOM 2073 O GLU A 988 36.388 -1.629 12.391 1.00 23.93 O ATOM 2074 CB GLU A 988 33.525 -1.632 10.622 1.00 24.38 C ATOM 2075 CG GLU A 988 34.420 -1.841 9.426 1.00 26.24 C ATOM 2076 CD GLU A 988 33.644 -2.231 8.173 1.00 28.06 C ATOM 2077 OE1 GLU A 988 32.734 -1.460 7.744 1.00 28.18 O ATOM 2078 OE2 GLU A 988 33.902 -3.328 7.627 1.00 29.46 O ATOM 2079 H GLU A 988 35.812 0.343 11.187 1.00 0.00 H ATOM 2080 N TYR A 989 34.683 -2.782 13.293 1.00 20.81 N ATOM 2081 CA TYR A 989 35.494 -3.610 14.152 1.00 21.38 C ATOM 2082 C TYR A 989 35.099 -5.070 13.920 1.00 23.36 C ATOM 2083 O TYR A 989 33.921 -5.376 13.890 1.00 22.60 O ATOM 2084 CB TYR A 989 35.275 -3.258 15.621 1.00 21.82 C ATOM 2085 CG TYR A 989 35.495 -1.805 15.966 1.00 19.85 C ATOM 2086 CD1 TYR A 989 34.523 -0.852 15.717 1.00 21.57 C ATOM 2087 CD2 TYR A 989 36.686 -1.399 16.526 1.00 23.72 C ATOM 2088 CE1 TYR A 989 34.718 0.476 16.082 1.00 22.37 C ATOM 2089 CE2 TYR A 989 36.890 -0.086 16.906 1.00 23.65 C ATOM 2090 CZ TYR A 989 35.927 0.863 16.636 1.00 24.43 C ATOM 2091 OH TYR A 989 36.183 2.161 17.024 1.00 27.97 O ATOM 2092 HH TYR A 989 35.417 2.736 16.773 1.00 0.00 H ATOM 2093 H TYR A 989 33.654 -2.934 13.282 1.00 0.00 H ATOM 2094 N ILE A 990 36.094 -5.931 13.724 1.00 19.76 N ATOM 2095 CA ILE A 990 35.874 -7.332 13.394 1.00 20.73 C ATOM 2096 C ILE A 990 36.655 -8.226 14.354 1.00 21.34 C ATOM 2097 O ILE A 990 37.874 -8.053 14.580 1.00 22.08 O ATOM 2098 CB ILE A 990 36.241 -7.649 11.933 1.00 21.64 C ATOM 2099 CG1 ILE A 990 35.471 -6.795 10.924 1.00 23.53 C ATOM 2100 CG2 ILE A 990 36.033 -9.138 11.649 1.00 24.94 C ATOM 2101 CD1 ILE A 990 35.926 -5.377 10.765 1.00 28.13 C ATOM 2102 H ILE A 990 37.072 -5.588 13.810 1.00 0.00 H ATOM 2103 N VAL A 991 35.963 -9.240 14.892 1.00 20.98 N ATOM 2104 CA VAL A 991 36.607 -10.330 15.591 1.00 21.59 C ATOM 2105 C VAL A 991 36.311 -11.635 14.848 1.00 22.04 C ATOM 2106 O VAL A 991 35.269 -11.788 14.177 1.00 22.47 O ATOM 2107 CB VAL A 991 36.196 -10.404 17.070 1.00 21.82 C ATOM 2108 CG1 VAL A 991 36.643 -9.156 17.826 1.00 23.11 C ATOM 2109 CG2 VAL A 991 34.701 -10.620 17.227 1.00 23.20 C ATOM 2110 H VAL A 991 34.927 -9.243 14.804 1.00 0.00 H ATOM 2111 N TYR A 992 37.219 -12.590 14.997 1.00 22.32 N ATOM 2112 CA TYR A 992 37.180 -13.844 14.268 1.00 23.70 C ATOM 2113 C TYR A 992 37.026 -15.046 15.205 1.00 27.14 C ATOM 2114 O TYR A 992 37.166 -16.183 14.754 1.00 27.87 O ATOM 2115 CB TYR A 992 38.439 -13.977 13.412 1.00 25.62 C ATOM 2116 CG TYR A 992 38.610 -12.867 12.405 1.00 25.25 C ATOM 2117 CD1 TYR A 992 37.942 -12.907 11.194 1.00 24.87 C ATOM 2118 CD2 TYR A 992 39.404 -11.768 12.668 1.00 27.29 C ATOM 2119 CE1 TYR A 992 38.090 -11.906 10.245 1.00 26.39 C ATOM 2120 CE2 TYR A 992 39.555 -10.746 11.735 1.00 27.50 C ATOM 2121 CZ TYR A 992 38.919 -10.833 10.505 1.00 27.56 C ATOM 2122 OH TYR A 992 39.044 -9.828 9.584 1.00 29.20 O ATOM 2123 HH TYR A 992 38.527 -10.060 8.772 1.00 0.00 H ATOM 2124 H TYR A 992 37.997 -12.432 15.669 1.00 0.00 H ATOM 2125 N ASP A 993 36.740 -14.789 16.489 1.00 25.48 N ATOM 2126 CA ASP A 993 36.481 -15.821 17.479 1.00 26.90 C ATOM 2127 C ASP A 993 35.190 -15.428 18.202 1.00 25.01 C ATOM 2128 O ASP A 993 35.118 -14.316 18.737 1.00 26.08 O ATOM 2129 CB ASP A 993 37.665 -15.947 18.445 1.00 29.51 C ATOM 2130 CG ASP A 993 37.543 -17.061 19.465 1.00 31.68 C ATOM 2131 OD1 ASP A 993 36.411 -17.478 19.781 1.00 30.55 O ATOM 2132 OD2 ASP A 993 38.604 -17.568 19.905 1.00 37.31 O ATOM 2133 H ASP A 993 36.701 -13.795 16.794 1.00 0.00 H ATOM 2134 N ILE A 994 34.182 -16.300 18.167 1.00 25.07 N ATOM 2135 CA ILE A 994 32.857 -16.031 18.743 1.00 26.40 C ATOM 2136 C ILE A 994 32.956 -15.739 20.253 1.00 26.73 C ATOM 2137 O ILE A 994 32.101 -14.994 20.774 1.00 27.23 O ATOM 2138 CB ILE A 994 31.855 -17.162 18.432 1.00 28.86 C ATOM 2139 CG1 ILE A 994 32.252 -18.515 19.028 1.00 29.64 C ATOM 2140 CG2 ILE A 994 31.599 -17.259 16.941 1.00 32.41 C ATOM 2141 CD1 ILE A 994 31.248 -19.613 18.742 1.00 35.38 C ATOM 2142 H ILE A 994 34.342 -17.219 17.708 1.00 0.00 H ATOM 2143 N ALA A 995 33.994 -16.254 20.926 1.00 26.60 N ATOM 2144 CA ALA A 995 34.147 -16.077 22.371 1.00 27.49 C ATOM 2145 C ALA A 995 34.572 -14.643 22.730 1.00 28.15 C ATOM 2146 O ALA A 995 34.527 -14.282 23.903 1.00 29.54 O ATOM 2147 CB ALA A 995 35.125 -17.098 22.912 1.00 31.02 C ATOM 2148 H ALA A 995 34.713 -16.796 20.406 1.00 0.00 H ATOM 2149 N GLN A 996 34.983 -13.822 21.762 1.00 24.95 N ATOM 2150 CA GLN A 996 35.436 -12.437 22.053 1.00 25.05 C ATOM 2151 C GLN A 996 34.273 -11.469 22.211 1.00 24.39 C ATOM 2152 O GLN A 996 34.526 -10.281 22.380 1.00 24.72 O ATOM 2153 CB GLN A 996 36.368 -11.878 20.970 1.00 24.91 C ATOM 2154 CG GLN A 996 37.786 -12.361 21.144 1.00 26.77 C ATOM 2155 CD GLN A 996 38.633 -12.023 19.941 1.00 28.14 C ATOM 2156 OE1 GLN A 996 38.743 -12.824 19.021 1.00 30.71 O ATOM 2157 NE2 GLN A 996 39.209 -10.831 19.932 1.00 25.00 N ATOM 2158 HE22 GLN A 996 39.084 -10.187 20.739 1.00 0.00 H ATOM 2159 HE21 GLN A 996 39.786 -10.539 19.118 1.00 0.00 H ATOM 2160 H GLN A 996 34.986 -14.160 20.778 1.00 0.00 H ATOM 2161 N VAL A 997 33.022 -11.948 22.162 1.00 21.34 N ATOM 2162 CA VAL A 997 31.827 -11.112 22.228 1.00 21.83 C ATOM 2163 C VAL A 997 31.025 -11.462 23.481 1.00 23.01 C ATOM 2164 O VAL A 997 30.671 -12.637 23.674 1.00 23.46 O ATOM 2165 CB VAL A 997 30.940 -11.259 20.979 1.00 23.82 C ATOM 2166 CG1 VAL A 997 29.731 -10.328 21.055 1.00 24.42 C ATOM 2167 CG2 VAL A 997 31.712 -11.027 19.695 1.00 25.49 C ATOM 2168 H VAL A 997 32.895 -12.976 22.072 1.00 0.00 H ATOM 2169 N ASN A 998 30.704 -10.436 24.289 1.00 23.20 N ATOM 2170 CA ASN A 998 29.774 -10.542 25.435 1.00 24.29 C ATOM 2171 C ASN A 998 28.570 -9.645 25.146 1.00 24.82 C ATOM 2172 O ASN A 998 28.649 -8.423 25.332 1.00 23.60 O ATOM 2173 CB ASN A 998 30.513 -10.220 26.743 1.00 25.48 C ATOM 2174 CG ASN A 998 29.595 -10.085 27.931 1.00 35.83 C ATOM 2175 OD1 ASN A 998 28.548 -10.732 27.975 1.00 32.54 O ATOM 2176 ND2 ASN A 998 29.975 -9.229 28.868 1.00 34.48 N ATOM 2177 HD22 ASN A 998 30.873 -8.714 28.769 1.00 0.00 H ATOM 2178 HD21 ASN A 998 29.375 -9.072 29.703 1.00 0.00 H ATOM 2179 H ASN A 998 31.137 -9.510 24.096 1.00 0.00 H ATOM 2180 N LEU A 999 27.442 -10.216 24.702 1.00 22.93 N ATOM 2181 CA LEU A 999 26.276 -9.360 24.404 1.00 22.97 C ATOM 2182 C LEU A 999 25.718 -8.779 25.704 1.00 23.61 C ATOM 2183 O LEU A 999 25.559 -9.500 26.701 1.00 25.12 O ATOM 2184 CB LEU A 999 25.208 -10.170 23.679 1.00 25.43 C ATOM 2185 CG LEU A 999 25.571 -10.632 22.266 1.00 26.73 C ATOM 2186 CD1 LEU A 999 24.398 -11.365 21.626 1.00 29.24 C ATOM 2187 CD2 LEU A 999 25.971 -9.469 21.382 1.00 27.39 C ATOM 2188 H LEU A 999 27.388 -11.246 24.569 1.00 0.00 H ATOM 2189 N LYS A1000 25.458 -7.459 25.715 1.00 21.57 N ATOM 2190 CA LYS A1000 25.134 -6.789 26.967 1.00 23.53 C ATOM 2191 C LYS A1000 23.747 -6.123 26.936 1.00 22.03 C ATOM 2192 O LYS A1000 23.031 -6.173 27.969 1.00 23.64 O ATOM 2193 CB LYS A1000 26.184 -5.736 27.343 1.00 27.16 C ATOM 2194 CG LYS A1000 27.514 -6.324 27.795 1.00 35.30 C ATOM 2195 CD LYS A1000 28.402 -5.378 28.551 1.00 41.64 C ATOM 2196 CE LYS A1000 27.854 -5.001 29.905 1.00 53.03 C ATOM 2197 NZ LYS A1000 28.949 -4.875 30.897 1.00 57.24 N ATOM 2198 HZ1 LYS A1000 29.449 -5.783 30.977 1.00 0.00 H ATOM 2199 HZ2 LYS A1000 29.614 -4.138 30.586 1.00 0.00 H ATOM 2200 HZ3 LYS A1000 28.550 -4.615 31.821 1.00 0.00 H ATOM 2201 H LYS A1000 25.488 -6.916 24.828 1.00 0.00 H ATOM 2202 N TYR A1001 23.390 -5.471 25.832 1.00 22.11 N ATOM 2203 CA TYR A1001 22.093 -4.775 25.728 1.00 21.45 C ATOM 2204 C TYR A1001 21.459 -5.072 24.372 1.00 23.00 C ATOM 2205 O TYR A1001 22.111 -5.357 23.378 1.00 23.12 O ATOM 2206 CB TYR A1001 22.187 -3.248 25.944 1.00 21.52 C ATOM 2207 CG TYR A1001 22.828 -2.802 27.232 1.00 21.62 C ATOM 2208 CD1 TYR A1001 22.119 -2.738 28.424 1.00 25.90 C ATOM 2209 CD2 TYR A1001 24.179 -2.523 27.268 1.00 24.39 C ATOM 2210 CE1 TYR A1001 22.732 -2.356 29.609 1.00 27.17 C ATOM 2211 CE2 TYR A1001 24.816 -2.148 28.442 1.00 28.13 C ATOM 2212 CZ TYR A1001 24.088 -2.067 29.615 1.00 27.94 C ATOM 2213 OH TYR A1001 24.645 -1.683 30.802 1.00 31.59 O ATOM 2214 HH TYR A1001 23.952 -1.693 31.509 1.00 0.00 H ATOM 2215 H TYR A1001 24.042 -5.452 25.022 1.00 0.00 H ATOM 2216 N LEU A1002 20.130 -5.003 24.371 1.00 23.05 N ATOM 2217 CA LEU A1002 19.310 -5.099 23.183 1.00 23.46 C ATOM 2218 C LEU A1002 18.344 -3.911 23.213 1.00 23.49 C ATOM 2219 O LEU A1002 17.666 -3.689 24.224 1.00 24.60 O ATOM 2220 CB LEU A1002 18.573 -6.443 23.239 1.00 23.69 C ATOM 2221 CG LEU A1002 17.587 -6.749 22.109 1.00 22.93 C ATOM 2222 CD1 LEU A1002 18.311 -6.832 20.774 1.00 23.53 C ATOM 2223 CD2 LEU A1002 16.855 -8.056 22.398 1.00 25.07 C ATOM 2224 H LEU A1002 19.649 -4.871 25.284 1.00 0.00 H ATOM 2225 N LEU A1003 18.341 -3.093 22.160 1.00 24.63 N ATOM 2226 CA LEU A1003 17.461 -1.949 22.084 1.00 25.32 C ATOM 2227 C LEU A1003 16.367 -2.225 21.046 1.00 27.33 C ATOM 2228 O LEU A1003 16.650 -2.753 19.951 1.00 26.27 O ATOM 2229 CB LEU A1003 18.240 -0.703 21.663 1.00 28.17 C ATOM 2230 CG LEU A1003 19.092 0.006 22.706 1.00 30.83 C ATOM 2231 CD1 LEU A1003 20.235 -0.846 23.182 1.00 29.87 C ATOM 2232 CD2 LEU A1003 19.604 1.327 22.160 1.00 29.77 C ATOM 2233 H LEU A1003 18.991 -3.284 21.371 1.00 0.00 H ATOM 2234 N LYS A1004 15.143 -1.796 21.355 1.00 27.48 N ATOM 2235 CA LYS A1004 14.051 -1.698 20.373 1.00 29.09 C ATOM 2236 C LYS A1004 13.991 -0.245 19.897 1.00 29.91 C ATOM 2237 O LYS A1004 13.814 0.666 20.712 1.00 30.01 O ATOM 2238 CB LYS A1004 12.741 -2.142 21.016 1.00 32.70 C ATOM 2239 CG LYS A1004 11.566 -2.308 20.065 1.00 37.06 C ATOM 2240 CD LYS A1004 10.266 -2.385 20.846 1.00 41.03 C ATOM 2241 CE LYS A1004 9.237 -3.313 20.254 1.00 47.61 C ATOM 2242 NZ LYS A1004 8.054 -3.400 21.142 1.00 49.69 N ATOM 2243 HZ1 LYS A1004 8.346 -3.764 22.072 1.00 0.00 H ATOM 2244 HZ2 LYS A1004 7.636 -2.454 21.254 1.00 0.00 H ATOM 2245 HZ3 LYS A1004 7.353 -4.043 20.722 1.00 0.00 H ATOM 2246 H LYS A1004 14.950 -1.517 22.338 1.00 0.00 H ATOM 2247 N LEU A1005 14.209 -0.051 18.592 1.00 29.56 N ATOM 2248 CA LEU A1005 14.334 1.274 17.990 1.00 33.27 C ATOM 2249 C LEU A1005 13.148 1.525 17.073 1.00 34.44 C ATOM 2250 O LEU A1005 12.768 0.650 16.297 1.00 35.27 O ATOM 2251 CB LEU A1005 15.594 1.352 17.126 1.00 34.01 C ATOM 2252 CG LEU A1005 16.940 1.289 17.832 1.00 35.64 C ATOM 2253 CD1 LEU A1005 18.054 1.302 16.789 1.00 41.16 C ATOM 2254 CD2 LEU A1005 17.101 2.431 18.813 1.00 40.97 C ATOM 2255 H LEU A1005 14.294 -0.884 17.976 1.00 0.00 H ATOM 2256 N LYS A1006 12.631 2.748 17.145 1.00 37.51 N ATOM 2257 CA LYS A1006 11.710 3.288 16.143 1.00 36.96 C ATOM 2258 C LYS A1006 12.537 4.074 15.117 1.00 38.04 C ATOM 2259 O LYS A1006 13.332 4.928 15.491 1.00 38.44 O ATOM 2260 CB LYS A1006 10.640 4.169 16.798 1.00 42.44 C ATOM 2261 CG LYS A1006 9.731 4.909 15.828 1.00 47.94 C ATOM 2262 CD LYS A1006 8.604 4.076 15.252 1.00 53.52 C ATOM 2263 CE LYS A1006 7.761 4.842 14.250 1.00 58.38 C ATOM 2264 NZ LYS A1006 7.101 6.024 14.858 1.00 61.81 N ATOM 2265 HZ1 LYS A1006 6.480 5.713 15.632 1.00 0.00 H ATOM 2266 HZ2 LYS A1006 7.825 6.670 15.232 1.00 0.00 H ATOM 2267 HZ3 LYS A1006 6.537 6.515 14.135 1.00 0.00 H ATOM 2268 H LYS A1006 12.893 3.350 17.952 1.00 0.00 H ATOM 2269 N PHE A1007 12.351 3.739 13.835 1.00 37.58 N ATOM 2270 CA PHE A1007 12.914 4.459 12.707 1.00 37.37 C ATOM 2271 C PHE A1007 11.855 5.429 12.155 1.00 40.22 C ATOM 2272 O PHE A1007 10.793 5.010 11.682 1.00 42.60 O ATOM 2273 CB PHE A1007 13.374 3.477 11.618 1.00 38.13 C ATOM 2274 CG PHE A1007 14.551 2.588 11.939 1.00 32.86 C ATOM 2275 CD1 PHE A1007 14.467 1.606 12.917 1.00 33.62 C ATOM 2276 CD2 PHE A1007 15.736 2.684 11.211 1.00 33.45 C ATOM 2277 CE1 PHE A1007 15.549 0.779 13.191 1.00 32.99 C ATOM 2278 CE2 PHE A1007 16.809 1.851 11.481 1.00 32.48 C ATOM 2279 CZ PHE A1007 16.713 0.889 12.456 1.00 31.73 C ATOM 2280 H PHE A1007 11.763 2.906 13.633 1.00 0.00 H ATOM 2281 N ASN A1008 12.134 6.732 12.246 1.00 39.34 N ATOM 2282 CA ASN A1008 11.224 7.756 11.730 1.00 45.83 C ATOM 2283 C ASN A1008 11.777 8.217 10.382 1.00 46.86 C ATOM 2284 O ASN A1008 12.788 8.921 10.334 1.00 46.81 O ATOM 2285 CB ASN A1008 11.076 8.921 12.710 1.00 48.94 C ATOM 2286 CG ASN A1008 10.452 8.505 14.025 1.00 50.18 C ATOM 2287 OD1 ASN A1008 9.332 8.006 14.046 1.00 52.15 O ATOM 2288 ND2 ASN A1008 11.163 8.709 15.124 1.00 53.33 N ATOM 2289 HD22 ASN A1008 12.109 9.135 15.059 1.00 0.00 H ATOM 2290 HD21 ASN A1008 10.775 8.443 16.051 1.00 0.00 H ATOM 2291 H ASN A1008 13.024 7.028 12.696 1.00 0.00 H ATOM 2292 N PHE A1009 11.136 7.777 9.299 1.00 49.02 N ATOM 2293 CA PHE A1009 11.640 8.021 7.954 1.00 51.45 C ATOM 2294 C PHE A1009 11.189 9.400 7.465 1.00 55.39 C ATOM 2295 O PHE A1009 10.088 9.843 7.771 1.00 59.03 O ATOM 2296 CB PHE A1009 11.197 6.906 7.008 1.00 51.93 C ATOM 2297 CG PHE A1009 11.914 5.608 7.246 1.00 51.44 C ATOM 2298 CD1 PHE A1009 13.157 5.374 6.680 1.00 50.97 C ATOM 2299 CD2 PHE A1009 11.369 4.641 8.077 1.00 50.98 C ATOM 2300 CE1 PHE A1009 13.827 4.183 6.907 1.00 49.07 C ATOM 2301 CE2 PHE A1009 12.044 3.452 8.305 1.00 48.29 C ATOM 2302 CZ PHE A1009 13.269 3.224 7.722 1.00 48.00 C ATOM 2303 H PHE A1009 10.251 7.244 9.418 1.00 0.00 H ATOM 2304 N LYS A1010 12.079 10.061 6.715 1.00 57.77 N ATOM 2305 CA LYS A1010 11.832 11.376 6.124 1.00 68.96 C ATOM 2306 C LYS A1010 11.429 11.195 4.659 1.00 68.38 C ATOM 2307 O LYS A1010 10.256 11.299 4.328 1.00 81.19 O ATOM 2308 CB LYS A1010 13.081 12.255 6.248 1.00 73.34 C ATOM 2309 CG LYS A1010 13.389 12.722 7.665 1.00 76.93 C ATOM 2310 CD LYS A1010 14.822 13.171 7.860 1.00 78.09 C ATOM 2311 CE LYS A1010 15.286 13.051 9.296 1.00 77.60 C ATOM 2312 NZ LYS A1010 16.765 13.016 9.384 1.00 77.28 N ATOM 2313 HZ1 LYS A1010 17.124 12.198 8.851 1.00 0.00 H ATOM 2314 HZ2 LYS A1010 17.156 13.892 8.982 1.00 0.00 H ATOM 2315 HZ3 LYS A1010 17.050 12.933 10.381 1.00 0.00 H ATOM 2316 H LYS A1010 13.001 9.613 6.542 1.00 0.00 H TER 2317 LYS A1010 HETATM 2318 O HOH 1 25.251 -12.343 26.984 1.00 26.06 O HETATM 2319 O HOH 2 36.668 3.983 20.247 1.00 44.43 O HETATM 2320 O HOH 3 18.351 9.848 15.135 1.00 47.70 O HETATM 2321 O HOH 4 48.032 -9.153 6.601 1.00 31.15 O HETATM 2322 O HOH 5 42.568 3.608 15.479 1.00 37.71 O HETATM 2323 O HOH 6 27.303 -2.320 31.522 1.00 46.13 O HETATM 2324 O HOH 7 33.787 -5.904 31.351 1.00 72.90 O HETATM 2325 O HOH 8 30.851 -2.031 6.118 1.00 43.33 O HETATM 2326 O HOH 9 28.288 -4.488 4.059 1.00 39.45 O HETATM 2327 O HOH 10 30.038 -25.684 6.308 1.00 36.82 O HETATM 2328 O HOH 11 33.312 -19.611 7.600 1.00 43.39 O HETATM 2329 O HOH 12 28.400 -0.801 6.170 1.00 44.79 O HETATM 2330 O HOH 13 26.691 6.995 3.813 1.00 43.95 O HETATM 2331 O HOH 14 38.288 0.394 24.022 1.00 40.74 O HETATM 2332 O HOH 15 46.721 2.510 12.309 1.00 30.97 O HETATM 2333 O HOH 16 26.164 -9.990 29.474 1.00 32.37 O HETATM 2334 O HOH 17 16.477 -23.010 22.280 1.00 49.69 O HETATM 2335 O HOH 18 27.194 -12.054 2.662 1.00 32.40 O HETATM 2336 O HOH 19 21.657 -18.195 24.946 1.00 33.09 O HETATM 2337 O HOH 20 47.634 -11.152 8.367 1.00 38.90 O HETATM 2338 O HOH 21 42.805 12.825 1.081 1.00 48.31 O HETATM 2339 O HOH 22 32.592 -4.600 5.586 1.00 29.11 O HETATM 2340 O HOH 23 15.556 -15.488 32.828 1.00 30.33 O HETATM 2341 O HOH 24 39.032 5.937 15.044 1.00 35.09 O HETATM 2342 O HOH 25 33.873 8.898 21.863 1.00 31.14 O HETATM 2343 O HOH 26 31.453 12.107 27.012 1.00 42.83 O HETATM 2344 O HOH 27 39.604 -12.270 16.558 1.00 24.80 O HETATM 2345 O HOH 28 21.132 10.764 27.722 1.00 41.12 O HETATM 2346 O HOH 29 15.427 -17.074 28.071 1.00 29.69 O HETATM 2347 O HOH 30 41.659 9.443 14.180 1.00 43.88 O HETATM 2348 O HOH 31 41.603 -3.959 -1.440 1.00 27.03 O HETATM 2349 O HOH 32 31.248 2.936 13.039 1.00 25.30 O HETATM 2350 O HOH 33 27.710 3.110 6.918 1.00 43.10 O HETATM 2351 O HOH 34 23.524 -10.381 12.188 1.00 39.92 O HETATM 2352 O HOH 35 7.932 -9.390 14.165 1.00 44.52 O HETATM 2353 O HOH 36 35.884 -19.980 20.680 1.00 49.59 O HETATM 2354 O HOH 37 29.550 -2.369 30.032 1.00 40.72 O HETATM 2355 O HOH 38 36.006 -19.531 25.556 1.00 39.66 O HETATM 2356 O HOH 39 33.428 -13.546 31.803 1.00 33.09 O HETATM 2357 O HOH 40 39.365 -12.870 6.653 1.00 43.18 O HETATM 2358 O HOH 41 28.048 -17.617 19.266 1.00 35.21 O HETATM 2359 O HOH 42 48.128 5.260 3.477 1.00 33.99 O HETATM 2360 O HOH 43 32.960 10.074 6.906 1.00 32.53 O HETATM 2361 O HOH 44 33.179 5.761 12.807 1.00 25.24 O HETATM 2362 O HOH 45 32.633 -21.767 -0.085 1.00 36.81 O HETATM 2363 O HOH 46 15.675 7.941 21.913 1.00 50.63 O HETATM 2364 O HOH 47 29.648 -14.316 19.670 1.00 28.95 O HETATM 2365 O HOH 48 14.102 -6.383 10.446 1.00 36.90 O HETATM 2366 O HOH 49 48.114 -1.843 9.653 1.00 33.09 O HETATM 2367 O HOH 50 30.481 -13.567 9.032 1.00 32.16 O HETATM 2368 O HOH 51 19.925 -9.645 32.036 1.00 33.36 O HETATM 2369 O HOH 52 12.827 -6.462 33.799 1.00 36.09 O HETATM 2370 O HOH 53 28.653 11.733 10.637 1.00 35.60 O HETATM 2371 O HOH 54 39.224 6.330 11.887 1.00 28.02 O HETATM 2372 O HOH 55 9.340 -4.276 23.667 1.00 36.31 O HETATM 2373 O HOH 56 15.426 5.227 27.458 1.00 51.88 O HETATM 2374 O HOH 57 17.320 -0.506 35.515 1.00 50.55 O HETATM 2375 O HOH 58 42.382 5.856 15.524 1.00 58.65 O HETATM 2376 O HOH 59 36.134 -15.020 4.618 1.00 35.29 O HETATM 2377 O HOH 60 1.612 -11.529 34.892 1.00 35.60 O HETATM 2378 O HOH 61 44.255 -15.602 13.184 1.00 40.97 O HETATM 2379 O HOH 62 18.642 8.939 22.110 1.00 40.70 O HETATM 2380 O HOH 63 13.739 -13.686 15.388 1.00 34.30 O HETATM 2381 O HOH 64 31.571 -7.817 -1.052 1.00 38.43 O HETATM 2382 O HOH 65 44.166 -3.510 3.408 1.00 39.07 O HETATM 2383 O HOH 66 23.781 -8.115 10.147 1.00 33.48 O HETATM 2384 O HOH 67 30.599 11.028 6.364 1.00 42.31 O HETATM 2385 O HOH 68 17.281 -0.208 8.691 1.00 38.74 O HETATM 2386 O HOH 69 16.367 -16.477 14.176 1.00 33.47 O HETATM 2387 O HOH 70 31.788 -15.023 24.831 1.00 31.35 O HETATM 2388 O HOH 71 25.611 1.068 7.140 1.00 30.40 O HETATM 2389 O HOH 72 23.185 -20.409 25.602 1.00 40.43 O HETATM 2390 O HOH 73 15.823 -5.396 13.339 1.00 28.34 O HETATM 2391 O HOH 74 38.301 4.708 21.515 1.00 40.84 O HETATM 2392 O HOH 75 38.452 -1.235 -0.116 1.00 29.80 O HETATM 2393 O HOH 76 23.476 -16.530 15.216 1.00 46.08 O HETATM 2394 O HOH 77 13.741 0.584 28.707 1.00 36.07 O HETATM 2395 O HOH 78 25.047 -14.412 13.956 1.00 34.94 O HETATM 2396 O HOH 79 3.257 -17.322 28.712 1.00 35.43 O HETATM 2397 O HOH 80 21.802 -16.091 31.987 1.00 36.36 O HETATM 2398 O HOH 81 27.421 -13.389 20.868 1.00 31.28 O HETATM 2399 O HOH 82 34.088 7.420 32.443 1.00 49.21 O HETATM 2400 O HOH 83 41.803 -1.330 28.269 1.00 47.32 O HETATM 2401 O HOH 84 35.609 17.445 12.337 1.00 41.15 O HETATM 2402 O HOH 85 30.556 -19.211 14.277 1.00 33.50 O HETATM 2403 O HOH 86 41.251 16.082 9.787 1.00 48.53 O HETATM 2404 O HOH 87 21.931 -7.446 8.083 1.00 43.86 O HETATM 2405 O HOH 88 42.208 -10.515 0.320 1.00 29.68 O HETATM 2406 O HOH 89 20.295 -16.060 13.609 1.00 45.31 O HETATM 2407 O HOH 90 33.819 -9.081 0.516 1.00 41.21 O HETATM 2408 O HOH 91 10.728 -12.422 13.542 1.00 51.82 O HETATM 2409 O HOH 92 45.398 -1.574 19.156 1.00 32.44 O HETATM 2410 O HOH 93 19.954 7.052 5.277 1.00 50.18 O HETATM 2411 O HOH 94 28.552 -19.042 32.047 1.00 41.16 O HETATM 2412 O HOH 95 31.102 14.677 21.951 1.00 45.49 O HETATM 2413 O HOH 96 20.268 -9.278 8.714 1.00 47.96 O HETATM 2414 O HOH 97 39.336 -1.301 27.751 1.00 42.40 O HETATM 2415 O HOH 98 1.140 -16.427 26.184 1.00 50.19 O HETATM 2416 O HOH 99 39.542 12.172 7.818 1.00 37.29 O HETATM 2417 O HOH 100 27.266 -19.051 25.482 1.00 49.47 O HETATM 2418 O HOH 101 5.217 -6.520 19.814 1.00 42.08 O HETATM 2419 O HOH 102 22.349 -7.560 5.431 1.00 52.99 O HETATM 2420 O HOH 103 34.619 0.172 2.059 1.00 43.57 O HETATM 2421 O HOH 104 49.530 -14.177 18.629 1.00 54.56 O HETATM 2422 O HOH 105 36.450 7.210 19.826 1.00 43.92 O HETATM 2423 O HOH 106 45.173 -0.993 4.530 1.00 31.73 O HETATM 2424 O HOH 107 43.777 7.033 17.610 1.00 47.09 O HETATM 2425 O HOH 108 21.508 12.180 9.782 1.00 46.21 O HETATM 2426 O HOH 109 35.031 -18.965 16.756 1.00 34.07 O HETATM 2427 O HOH 110 13.116 -9.242 9.710 1.00 41.01 O HETATM 2428 O HOH 111 37.625 5.193 17.526 1.00 46.45 O HETATM 2429 O HOH 112 35.812 6.906 2.278 1.00 47.05 O HETATM 2430 O HOH 113 18.374 9.711 19.505 1.00 46.76 O HETATM 2431 O HOH 114 39.552 -1.106 -1.743 1.00 40.54 O HETATM 2432 O HOH 115 23.723 -6.321 3.574 1.00 63.83 O HETATM 2433 O HOH 116 35.942 5.250 18.865 1.00 43.65 O HETATM 2434 O HOH 117 39.928 7.399 14.793 1.00 25.51 O HETATM 2435 O HOH 118 21.165 11.950 25.326 1.00 46.88 O HETATM 2436 O HOH 119 18.774 -17.353 32.189 1.00 37.40 O HETATM 2437 O HOH 120 17.403 1.494 6.617 1.00 67.02 O HETATM 2438 O HOH 121 17.114 -17.411 31.851 1.00 40.28 O HETATM 2439 O HOH 122 41.141 -15.564 10.941 1.00 43.98 O HETATM 2440 O HOH 123 41.350 6.842 13.897 1.00 37.59 O HETATM 2441 O HOH 124 39.845 -15.724 9.869 1.00 49.93 O HETATM 2442 O HOH 125 21.946 -8.838 33.365 1.00 51.38 O HETATM 2443 O HOH 126 28.531 -15.476 -4.069 1.00 43.90 O HETATM 2444 O HOH 127 33.036 -20.045 14.782 1.00 44.38 O HETATM 2445 N KYJ A 128 25.857 -5.735 11.170 1.00 -0.30 N HETATM 2446 C KYJ A 128 26.467 -4.649 11.643 1.00 0.20 C HETATM 2447 O KYJ A 128 26.022 -4.027 12.647 1.00 -0.39 O HETATM 2448 C1 KYJ A 128 27.715 -4.177 10.947 1.00 0.09 C HETATM 2449 C2 KYJ A 128 28.482 -3.195 11.582 1.00 -0.04 C HETATM 2450 C3 KYJ A 128 29.623 -2.674 10.989 1.00 -0.06 C HETATM 2451 C4 KYJ A 128 30.024 -3.100 9.735 1.00 -0.05 C HETATM 2452 C5 KYJ A 128 29.278 -4.079 9.086 1.00 0.08 C HETATM 2453 C6 KYJ A 128 29.487 -4.799 7.822 1.00 0.20 C HETATM 2454 C7 KYJ A 128 28.430 -5.808 7.805 1.00 0.18 C HETATM 2455 C8 KYJ A 128 28.268 -6.741 6.867 1.00 -0.01 C HETATM 2456 C9 KYJ A 128 27.246 -7.751 6.652 1.00 -0.03 C HETATM 2457 C10 KYJ A 128 26.137 -8.033 7.445 1.00 -0.05 C HETATM 2458 C11 KYJ A 128 25.302 -9.096 7.150 1.00 -0.05 C HETATM 2459 C12 KYJ A 128 25.542 -9.904 6.041 1.00 0.05 C HETATM 2460 C13 KYJ A 128 24.695 -11.117 5.806 1.00 0.20 C HETATM 2461 N1 KYJ A 128 25.172 -12.040 4.965 1.00 -0.28 N HETATM 2462 C14 KYJ A 128 24.425 -13.244 4.614 1.00 0.05 C HETATM 2463 C15 KYJ A 128 25.275 -14.493 4.747 1.00 0.05 C HETATM 2464 C16 KYJ A 128 25.482 -14.887 6.168 1.00 0.12 C HETATM 2465 N3 KYJ A 128 25.016 -16.055 6.672 1.00 -0.32 N HETATM 2466 C22 KYJ A 128 25.388 -16.102 8.002 1.00 0.02 C HETATM 2467 C21 KYJ A 128 25.214 -17.056 8.996 1.00 -0.07 C HETATM 2468 C20 KYJ A 128 25.773 -16.812 10.244 1.00 -0.08 C HETATM 2469 C19 KYJ A 128 26.467 -15.633 10.494 1.00 -0.08 C HETATM 2470 C18 KYJ A 128 26.635 -14.681 9.495 1.00 -0.04 C HETATM 2471 C17 KYJ A 128 26.091 -14.922 8.235 1.00 0.08 C HETATM 2472 N2 KYJ A 128 26.136 -14.168 7.061 1.00 -0.25 N HETATM 2473 H18 KYJ A 128 26.582 -13.250 6.922 1.00 0.23 H HETATM 2474 H17 KYJ A 128 27.181 -13.765 9.693 1.00 0.05 H HETATM 2475 H16 KYJ A 128 26.882 -15.454 11.479 1.00 0.05 H HETATM 2476 H15 KYJ A 128 25.667 -17.549 11.032 1.00 0.05 H HETATM 2477 H14 KYJ A 128 24.657 -17.966 8.803 1.00 0.05 H HETATM 2478 H12 KYJ A 128 26.256 -14.304 4.286 1.00 0.06 H HETATM 2479 H13 KYJ A 128 24.775 -15.319 4.220 1.00 0.06 H HETATM 2480 H10 KYJ A 128 24.079 -13.158 3.573 1.00 0.06 H HETATM 2481 H11 KYJ A 128 23.556 -13.332 5.283 1.00 0.06 H HETATM 2482 H9 KYJ A 128 26.076 -11.900 4.561 1.00 0.18 H HETATM 2483 O2 KYJ A 128 23.627 -11.256 6.394 1.00 -0.39 O HETATM 2484 C23 KYJ A 128 26.624 -9.599 5.219 1.00 -0.05 C HETATM 2485 C24 KYJ A 128 27.467 -8.550 5.527 1.00 -0.05 C HETATM 2486 H20 KYJ A 128 28.315 -8.342 4.885 1.00 0.06 H HETATM 2487 H19 KYJ A 128 26.806 -10.191 4.329 1.00 0.07 H HETATM 2488 H4 KYJ A 128 24.451 -9.302 7.789 1.00 0.07 H HETATM 2489 H3 KYJ A 128 25.924 -7.410 8.306 1.00 0.06 H HETATM 2490 H8 KYJ A 128 29.055 -6.747 6.115 1.00 0.06 H HETATM 2491 O3 KYJ A 128 27.643 -5.675 8.940 1.00 -0.23 O HETATM 2492 C25 KYJ A 128 28.154 -4.634 9.698 1.00 0.16 C HETATM 2493 O1 KYJ A 128 30.309 -4.572 6.910 1.00 -0.37 O HETATM 2494 H7 KYJ A 128 30.905 -2.678 9.266 1.00 0.07 H HETATM 2495 H6 KYJ A 128 30.206 -1.926 11.513 1.00 0.06 H HETATM 2496 H5 KYJ A 128 28.179 -2.833 12.558 1.00 0.07 H HETATM 2497 H1 KYJ A 128 26.229 -6.210 10.373 1.00 0.18 H HETATM 2498 H2 KYJ A 128 25.027 -6.075 11.612 1.00 0.18 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 169 170 177 178 179 CONECT 177 169 CONECT 178 169 CONECT 179 169 CONECT 2445 2446 2497 2498 CONECT 2446 2445 2447 2448 CONECT 2447 2446 CONECT 2448 2446 2449 2492 CONECT 2449 2448 2450 2496 CONECT 2450 2449 2451 2495 CONECT 2451 2450 2452 2494 CONECT 2452 2451 2453 2492 CONECT 2453 2452 2454 2493 CONECT 2454 2453 2455 2491 CONECT 2455 2454 2456 2490 CONECT 2456 2455 2457 2485 CONECT 2457 2456 2458 2489 CONECT 2458 2457 2459 2488 CONECT 2459 2458 2460 2484 CONECT 2460 2459 2461 2483 CONECT 2461 2460 2462 2482 CONECT 2462 2461 2463 2480 2481 CONECT 2463 2462 2464 2478 2479 CONECT 2464 2463 2465 2472 CONECT 2465 2464 2466 CONECT 2466 2465 2467 2471 CONECT 2467 2466 2468 2477 CONECT 2468 2467 2469 2476 CONECT 2469 2468 2470 2475 CONECT 2470 2469 2471 2474 CONECT 2471 2466 2470 2472 CONECT 2472 2464 2471 2473 CONECT 2473 2472 CONECT 2474 2470 CONECT 2475 2469 CONECT 2476 2468 CONECT 2477 2467 CONECT 2478 2463 CONECT 2479 2463 CONECT 2480 2462 CONECT 2481 2462 CONECT 2482 2461 CONECT 2483 2460 CONECT 2484 2459 2485 2487 CONECT 2485 2456 2484 2486 CONECT 2486 2485 CONECT 2487 2484 CONECT 2488 2458 CONECT 2489 2457 CONECT 2490 2455 CONECT 2491 2454 2492 CONECT 2492 2448 2452 2491 CONECT 2493 2453 CONECT 2494 2451 CONECT 2495 2450 CONECT 2496 2449 CONECT 2497 2445 CONECT 2498 2445 MASTER 0 0 0 0 0 0 0 0 2496 2 62 20 END
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Structure:
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Related entries of code: 6nrj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6bhv
RCSB PDB
PDBbind
271aa, >6BHV_1|Chains... *
6nri
RCSB PDB
PDBbind
271aa, >6NRI_1|Chain... at 100%
6nrh
RCSB PDB
PDBbind
271aa, >6NRH_1|Chain... at 100%
6nrg
RCSB PDB
PDBbind
271aa, >6NRG_1|Chain... at 100%
6nrf
RCSB PDB
PDBbind
271aa, >6NRF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6nrj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human PARP-1 ART domain
Ligand Name
KYJ
EC.Number
E.C.2.4.2.30
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
IC50=36nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 5330-5357
Ligand Properties
Formula
C
2
6
H
2
0
N
4
O
4
Molecular Weight
452.461
Exact Mass
452.148
No. of atoms
54
No. of bonds
58
Polar Surface Area
127.17
LOGP Value
3.31 (
Computed with XLOGP3
)
4.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
O=C(c1ccc(cc1)/C=C/1\Oc2c(C1=O)cccc2C(=O)N)NCCc1nc2c([nH]1)cccc2
InChI String
InChI=1S/C26H20N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,14H,12-13H2,(H2,27,32)(H,28,33)(H,29,30)/b21-14-
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P09874
Entrez Gene ID
NCBI Entrez Gene ID:
142
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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