Browse entries in the PDBbind-CN Database
HEADER 6GG8_COMPLEX COMPND 6GG8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 174 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 174 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 174 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 174 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 174 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 174 ILE GLN TYR SER TRP MET SER LEU SER SER PHE ALA LEU SEQRES 7 A 174 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 174 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 174 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 174 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 174 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 174 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 174 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 174 MET VAL THR LYS SER SEQRES 1 A 68 SER TRP GLN ARG PHE TYR GLN LEU THR LYS LEU LEU ASP SEQRES 2 A 68 SER MET HIS ASP LEU VAL SER ASP LEU LEU GLU PHE CYS SEQRES 3 A 68 PHE TYR THR PHE ARG GLU SER HIS ALA LEU LYS VAL GLU SEQRES 4 A 68 PHE PRO ALA MET LEU VAL GLU ILE ILE SER ASP GLN LEU SEQRES 5 A 68 PRO LYS VAL GLU SER GLY ASN ALA LYS PRO LEU TYR PHE SEQRES 6 A 68 HIS ARG LYS HET EY A 8 45 ATOM 1 N SER A 737 12.913 5.234 5.325 1.00 43.50 N ATOM 2 CA SER A 737 11.712 4.701 4.688 1.00 41.77 C ATOM 3 C SER A 737 11.231 5.663 3.592 1.00 39.72 C ATOM 4 O SER A 737 10.640 6.712 3.903 1.00 36.97 O ATOM 5 CB SER A 737 10.617 4.433 5.720 1.00 47.47 C ATOM 6 OG SER A 737 9.469 3.845 5.125 1.00 57.34 O ATOM 7 HG SER A 737 8.783 3.686 5.821 1.00 0.00 H ATOM 8 HN3 SER A 737 12.697 6.159 5.750 1.00 0.00 H ATOM 9 HN2 SER A 737 13.662 5.345 4.612 1.00 0.00 H ATOM 10 HN1 SER A 737 13.232 4.577 6.065 1.00 0.00 H ATOM 11 N PRO A 738 11.521 5.346 2.303 1.00 34.12 N ATOM 12 CA PRO A 738 11.120 6.265 1.219 1.00 32.53 C ATOM 13 C PRO A 738 9.613 6.420 1.057 1.00 32.35 C ATOM 14 O PRO A 738 9.164 7.478 0.625 1.00 30.83 O ATOM 15 CB PRO A 738 11.792 5.680 -0.032 1.00 34.78 C ATOM 16 CG PRO A 738 12.077 4.279 0.292 1.00 39.60 C ATOM 17 CD PRO A 738 12.257 4.177 1.777 1.00 35.77 C ATOM 18 N VAL A 739 8.825 5.396 1.440 1.00 27.97 N ATOM 19 CA VAL A 739 7.369 5.499 1.334 1.00 27.24 C ATOM 20 C VAL A 739 6.827 6.479 2.381 1.00 26.98 C ATOM 21 O VAL A 739 5.875 7.200 2.103 1.00 24.39 O ATOM 22 CB VAL A 739 6.644 4.130 1.358 1.00 32.61 C ATOM 23 CG1 VAL A 739 5.196 4.278 0.882 1.00 32.57 C ATOM 24 CG2 VAL A 739 7.390 3.107 0.500 1.00 32.99 C ATOM 25 H VAL A 739 9.255 4.526 1.814 1.00 0.00 H ATOM 26 N MET A 740 7.462 6.547 3.564 1.00 24.93 N ATOM 27 CA MET A 740 7.033 7.506 4.585 1.00 25.15 C ATOM 28 C MET A 740 7.337 8.947 4.125 1.00 24.34 C ATOM 29 O MET A 740 6.541 9.861 4.379 1.00 22.76 O ATOM 30 CB MET A 740 7.624 7.181 5.951 1.00 29.47 C ATOM 31 CG MET A 740 7.046 8.031 7.074 1.00 35.54 C ATOM 32 SD MET A 740 5.252 8.406 7.090 1.00 41.79 S ATOM 33 CE MET A 740 4.607 6.772 7.562 1.00 38.83 C ATOM 34 H MET A 740 8.264 5.914 3.756 1.00 0.00 H ATOM 35 N VAL A 741 8.440 9.130 3.385 1.00 19.96 N ATOM 36 CA VAL A 741 8.747 10.431 2.776 1.00 18.96 C ATOM 37 C VAL A 741 7.605 10.761 1.772 1.00 18.98 C ATOM 38 O VAL A 741 7.076 11.876 1.806 1.00 17.47 O ATOM 39 CB VAL A 741 10.150 10.433 2.077 1.00 23.30 C ATOM 40 CG1 VAL A 741 10.385 11.722 1.300 1.00 22.86 C ATOM 41 CG2 VAL A 741 11.271 10.209 3.088 1.00 23.80 C ATOM 42 H VAL A 741 9.092 8.333 3.239 1.00 0.00 H ATOM 43 N LEU A 742 7.198 9.779 0.925 1.00 16.13 N ATOM 44 CA LEU A 742 6.121 9.987 -0.073 1.00 15.86 C ATOM 45 C LEU A 742 4.820 10.485 0.563 1.00 19.44 C ATOM 46 O LEU A 742 4.206 11.440 0.074 1.00 18.38 O ATOM 47 CB LEU A 742 5.835 8.710 -0.888 1.00 15.71 C ATOM 48 CG LEU A 742 6.994 8.078 -1.674 1.00 19.19 C ATOM 49 CD1 LEU A 742 6.477 6.954 -2.527 1.00 20.24 C ATOM 50 CD2 LEU A 742 7.695 9.119 -2.564 1.00 19.57 C ATOM 51 H LEU A 742 7.659 8.848 0.979 1.00 0.00 H ATOM 52 N GLU A 743 4.405 9.835 1.659 1.00 17.42 N ATOM 53 CA GLU A 743 3.201 10.202 2.395 1.00 17.91 C ATOM 54 C GLU A 743 3.293 11.639 2.891 1.00 21.82 C ATOM 55 O GLU A 743 2.328 12.390 2.775 1.00 20.99 O ATOM 56 CB GLU A 743 3.023 9.250 3.593 1.00 20.53 C ATOM 57 CG GLU A 743 2.720 7.812 3.180 1.00 32.99 C ATOM 58 CD GLU A 743 2.392 6.896 4.342 1.00 59.64 C ATOM 59 OE1 GLU A 743 3.215 6.005 4.649 1.00 48.43 O ATOM 60 OE2 GLU A 743 1.315 7.076 4.954 1.00 59.69 O ATOM 61 H GLU A 743 4.969 9.031 2.001 1.00 0.00 H ATOM 62 N ASN A 744 4.489 12.053 3.359 1.00 18.34 N ATOM 63 CA ASN A 744 4.686 13.399 3.898 1.00 17.77 C ATOM 64 C ASN A 744 4.857 14.496 2.844 1.00 20.79 C ATOM 65 O ASN A 744 4.658 15.667 3.162 1.00 21.47 O ATOM 66 CB ASN A 744 5.851 13.409 4.869 1.00 18.97 C ATOM 67 CG ASN A 744 5.550 12.655 6.132 1.00 30.42 C ATOM 68 OD1 ASN A 744 4.450 12.744 6.687 1.00 25.06 O ATOM 69 ND2 ASN A 744 6.500 11.878 6.592 1.00 24.98 N ATOM 70 HD22 ASN A 744 7.415 11.827 6.099 1.00 0.00 H ATOM 71 HD21 ASN A 744 6.339 11.312 7.450 1.00 0.00 H ATOM 72 H ASN A 744 5.295 11.396 3.336 1.00 0.00 H ATOM 73 N ILE A 745 5.235 14.143 1.617 1.00 16.75 N ATOM 74 CA ILE A 745 5.449 15.178 0.587 1.00 15.96 C ATOM 75 C ILE A 745 4.240 15.341 -0.319 1.00 21.32 C ATOM 76 O ILE A 745 4.290 16.099 -1.294 1.00 21.62 O ATOM 77 CB ILE A 745 6.761 14.998 -0.211 1.00 18.58 C ATOM 78 CG1 ILE A 745 6.737 13.697 -1.079 1.00 17.91 C ATOM 79 CG2 ILE A 745 7.985 15.097 0.704 1.00 17.02 C ATOM 80 CD1 ILE A 745 7.905 13.577 -2.130 1.00 17.64 C ATOM 81 H ILE A 745 5.379 13.140 1.385 1.00 0.00 H ATOM 82 N GLU A 746 3.134 14.668 0.021 1.00 20.32 N ATOM 83 CA GLU A 746 1.915 14.779 -0.750 1.00 22.35 C ATOM 84 C GLU A 746 1.372 16.233 -0.684 1.00 27.99 C ATOM 85 O GLU A 746 1.295 16.841 0.379 1.00 27.06 O ATOM 86 CB GLU A 746 0.885 13.710 -0.327 1.00 24.44 C ATOM 87 CG GLU A 746 -0.197 13.394 -1.357 1.00 40.37 C ATOM 88 CD GLU A 746 0.213 13.128 -2.795 1.00 54.15 C ATOM 89 OE1 GLU A 746 -0.487 13.621 -3.709 1.00 54.61 O ATOM 90 OE2 GLU A 746 1.270 12.495 -3.015 1.00 28.84 O ATOM 91 H GLU A 746 3.151 14.051 0.858 1.00 0.00 H ATOM 92 N PRO A 747 1.132 16.852 -1.838 1.00 28.45 N ATOM 93 CA PRO A 747 0.722 18.269 -1.839 1.00 29.19 C ATOM 94 C PRO A 747 -0.654 18.531 -1.246 1.00 32.40 C ATOM 95 O PRO A 747 -1.488 17.634 -1.203 1.00 32.44 O ATOM 96 CB PRO A 747 0.764 18.631 -3.326 1.00 31.35 C ATOM 97 CG PRO A 747 1.729 17.618 -3.914 1.00 36.07 C ATOM 98 CD PRO A 747 1.326 16.366 -3.215 1.00 31.25 C ATOM 99 N GLU A 748 -0.877 19.769 -0.784 1.00 29.60 N ATOM 100 CA GLU A 748 -2.161 20.245 -0.258 1.00 30.28 C ATOM 101 C GLU A 748 -3.185 20.160 -1.410 1.00 32.86 C ATOM 102 O GLU A 748 -2.800 20.309 -2.560 1.00 28.85 O ATOM 103 CB GLU A 748 -2.026 21.716 0.183 1.00 32.55 C ATOM 104 CG GLU A 748 -1.040 21.959 1.319 1.00 48.57 C ATOM 105 CD GLU A 748 -1.460 21.402 2.665 1.00 76.15 C ATOM 106 OE1 GLU A 748 -1.053 20.263 2.994 1.00 74.68 O ATOM 107 OE2 GLU A 748 -2.211 22.099 3.384 1.00 69.00 O ATOM 108 H GLU A 748 -0.083 20.440 -0.799 1.00 0.00 H ATOM 109 N ILE A 749 -4.459 19.874 -1.138 1.00 32.68 N ATOM 110 CA ILE A 749 -5.388 19.822 -2.279 1.00 33.11 C ATOM 111 C ILE A 749 -5.704 21.304 -2.687 1.00 33.33 C ATOM 112 O ILE A 749 -5.556 22.206 -1.875 1.00 35.25 O ATOM 113 CB ILE A 749 -6.604 18.855 -2.095 1.00 37.09 C ATOM 114 CG1 ILE A 749 -6.084 17.367 -2.008 1.00 38.21 C ATOM 115 CG2 ILE A 749 -7.606 18.996 -3.250 1.00 37.27 C ATOM 116 CD1 ILE A 749 -7.080 16.218 -1.427 1.00 46.74 C ATOM 117 H ILE A 749 -4.781 19.696 -0.165 1.00 0.00 H ATOM 118 N VAL A 750 -5.941 21.532 -3.985 1.00 26.96 N ATOM 119 CA VAL A 750 -6.128 22.834 -4.636 1.00 25.47 C ATOM 120 C VAL A 750 -7.589 23.070 -4.932 1.00 25.91 C ATOM 121 O VAL A 750 -8.268 22.131 -5.361 1.00 24.89 O ATOM 122 CB VAL A 750 -5.377 22.814 -6.000 1.00 30.28 C ATOM 123 CG1 VAL A 750 -5.251 24.205 -6.594 1.00 30.66 C ATOM 124 CG2 VAL A 750 -4.016 22.157 -5.894 1.00 30.03 C ATOM 125 H VAL A 750 -5.999 20.695 -4.599 1.00 0.00 H ATOM 126 N TYR A 751 -8.043 24.340 -4.831 1.00 20.92 N ATOM 127 CA TYR A 751 -9.397 24.697 -5.235 1.00 19.97 C ATOM 128 C TYR A 751 -9.390 24.958 -6.733 1.00 23.52 C ATOM 129 O TYR A 751 -8.378 25.405 -7.278 1.00 21.95 O ATOM 130 CB TYR A 751 -9.920 25.945 -4.508 1.00 21.83 C ATOM 131 CG TYR A 751 -10.036 25.786 -3.013 1.00 24.23 C ATOM 132 CD1 TYR A 751 -11.076 25.051 -2.448 1.00 23.44 C ATOM 133 CD2 TYR A 751 -9.137 26.419 -2.156 1.00 27.29 C ATOM 134 CE1 TYR A 751 -11.204 24.927 -1.066 1.00 22.00 C ATOM 135 CE2 TYR A 751 -9.262 26.313 -0.774 1.00 29.46 C ATOM 136 CZ TYR A 751 -10.285 25.546 -0.235 1.00 32.89 C ATOM 137 OH TYR A 751 -10.375 25.418 1.122 1.00 34.06 O ATOM 138 HH TYR A 751 -9.545 25.004 1.469 1.00 0.00 H ATOM 139 H TYR A 751 -7.412 25.078 -4.457 1.00 0.00 H ATOM 140 N ALA A 752 -10.524 24.687 -7.394 1.00 21.32 N ATOM 141 CA ALA A 752 -10.689 24.911 -8.829 1.00 22.33 C ATOM 142 C ALA A 752 -10.892 26.416 -9.155 1.00 28.35 C ATOM 143 O ALA A 752 -10.441 26.880 -10.206 1.00 28.83 O ATOM 144 CB ALA A 752 -11.879 24.110 -9.334 1.00 23.25 C ATOM 145 H ALA A 752 -11.327 24.298 -6.859 1.00 0.00 H ATOM 146 N GLY A 753 -11.569 27.146 -8.269 1.00 23.55 N ATOM 147 CA GLY A 753 -11.906 28.544 -8.505 1.00 25.31 C ATOM 148 C GLY A 753 -13.101 28.573 -9.445 1.00 29.92 C ATOM 149 O GLY A 753 -13.227 29.450 -10.293 1.00 30.89 O ATOM 150 H GLY A 753 -11.868 26.702 -7.377 1.00 0.00 H ATOM 151 N TYR A 754 -13.945 27.552 -9.334 1.00 25.86 N ATOM 152 CA TYR A 754 -15.128 27.366 -10.143 1.00 25.73 C ATOM 153 C TYR A 754 -16.187 28.406 -9.773 1.00 29.92 C ATOM 154 O TYR A 754 -16.498 28.577 -8.591 1.00 29.88 O ATOM 155 CB TYR A 754 -15.639 25.938 -9.947 1.00 26.76 C ATOM 156 CG TYR A 754 -17.010 25.702 -10.524 1.00 29.04 C ATOM 157 CD1 TYR A 754 -17.239 25.802 -11.894 1.00 31.96 C ATOM 158 CD2 TYR A 754 -18.083 25.377 -9.702 1.00 30.06 C ATOM 159 CE1 TYR A 754 -18.508 25.591 -12.429 1.00 34.10 C ATOM 160 CE2 TYR A 754 -19.350 25.161 -10.225 1.00 31.49 C ATOM 161 CZ TYR A 754 -19.561 25.278 -11.587 1.00 39.54 C ATOM 162 OH TYR A 754 -20.821 25.082 -12.081 1.00 42.17 O ATOM 163 HH TYR A 754 -20.811 25.199 -13.064 1.00 0.00 H ATOM 164 H TYR A 754 -13.739 26.833 -8.611 1.00 0.00 H ATOM 165 N ASP A 755 -16.705 29.107 -10.792 1.00 26.45 N ATOM 166 CA ASP A 755 -17.704 30.160 -10.679 1.00 27.03 C ATOM 167 C ASP A 755 -19.048 29.587 -11.092 1.00 31.74 C ATOM 168 O ASP A 755 -19.390 29.547 -12.286 1.00 30.99 O ATOM 169 CB ASP A 755 -17.313 31.379 -11.545 1.00 28.83 C ATOM 170 CG ASP A 755 -18.153 32.627 -11.332 1.00 38.28 C ATOM 171 OD1 ASP A 755 -19.327 32.491 -10.946 1.00 36.51 O ATOM 172 OD2 ASP A 755 -17.649 33.735 -11.612 1.00 44.24 O ATOM 173 H ASP A 755 -16.363 28.878 -11.747 1.00 0.00 H ATOM 174 N SER A 756 -19.809 29.140 -10.081 1.00 28.56 N ATOM 175 CA SER A 756 -21.130 28.535 -10.219 1.00 28.99 C ATOM 176 C SER A 756 -22.215 29.562 -10.595 1.00 36.56 C ATOM 177 O SER A 756 -23.357 29.171 -10.812 1.00 36.88 O ATOM 178 CB SER A 756 -21.508 27.804 -8.933 1.00 31.24 C ATOM 179 OG SER A 756 -21.425 28.684 -7.821 1.00 37.58 O ATOM 180 HG SER A 756 -21.673 28.196 -6.996 1.00 0.00 H ATOM 181 H SER A 756 -19.425 29.232 -9.119 1.00 0.00 H ATOM 182 N SER A 757 -21.873 30.864 -10.662 1.00 35.96 N ATOM 183 CA SER A 757 -22.829 31.895 -11.066 1.00 37.93 C ATOM 184 C SER A 757 -22.835 32.010 -12.593 1.00 46.44 C ATOM 185 O SER A 757 -23.870 32.328 -13.179 1.00 47.66 O ATOM 186 CB SER A 757 -22.510 33.238 -10.411 1.00 39.38 C ATOM 187 OG SER A 757 -21.519 33.965 -11.120 1.00 43.84 O ATOM 188 HG SER A 757 -20.683 33.435 -11.154 1.00 0.00 H ATOM 189 H SER A 757 -20.901 31.144 -10.419 1.00 0.00 H ATOM 190 N LYS A 758 -21.668 31.748 -13.230 1.00 44.16 N ATOM 191 CA LYS A 758 -21.477 31.776 -14.687 1.00 44.53 C ATOM 192 C LYS A 758 -22.197 30.574 -15.325 1.00 50.15 C ATOM 193 O LYS A 758 -22.400 29.567 -14.627 1.00 49.37 O ATOM 194 CB LYS A 758 -19.976 31.747 -15.043 1.00 46.12 C ATOM 195 CG LYS A 758 -19.208 33.025 -14.687 1.00 65.64 C ATOM 196 CD LYS A 758 -19.290 34.110 -15.765 1.00 77.69 C ATOM 197 CE LYS A 758 -18.642 35.405 -15.330 1.00 90.60 C ATOM 198 NZ LYS A 758 -19.484 36.158 -14.357 1.00101.11 N ATOM 199 HZ1 LYS A 758 -20.399 36.386 -14.796 1.00 0.00 H ATOM 200 HZ2 LYS A 758 -19.640 35.574 -13.511 1.00 0.00 H ATOM 201 HZ3 LYS A 758 -18.999 37.038 -14.088 1.00 0.00 H ATOM 202 H LYS A 758 -20.844 31.509 -12.643 1.00 0.00 H ATOM 203 N PRO A 759 -22.600 30.637 -16.628 1.00 48.29 N ATOM 204 CA PRO A 759 -23.291 29.481 -17.230 1.00 47.88 C ATOM 205 C PRO A 759 -22.386 28.259 -17.290 1.00 49.52 C ATOM 206 O PRO A 759 -21.177 28.400 -17.513 1.00 48.38 O ATOM 207 CB PRO A 759 -23.678 29.980 -18.624 1.00 50.71 C ATOM 208 CG PRO A 759 -22.725 31.079 -18.921 1.00 55.32 C ATOM 209 CD PRO A 759 -22.456 31.740 -17.604 1.00 50.82 C ATOM 210 N ASP A 760 -22.952 27.069 -17.040 1.00 44.52 N ATOM 211 CA ASP A 760 -22.164 25.845 -17.061 1.00 43.16 C ATOM 212 C ASP A 760 -22.025 25.305 -18.477 1.00 43.99 C ATOM 213 O ASP A 760 -22.583 24.254 -18.832 1.00 44.90 O ATOM 214 CB ASP A 760 -22.712 24.806 -16.079 1.00 45.48 C ATOM 215 CG ASP A 760 -21.860 24.584 -14.850 1.00 56.52 C ATOM 216 OD1 ASP A 760 -20.754 25.176 -14.772 1.00 56.26 O ATOM 217 OD2 ASP A 760 -22.295 23.820 -13.962 1.00 64.25 O ATOM 218 H ASP A 760 -23.969 27.020 -16.828 1.00 0.00 H ATOM 219 N THR A 761 -21.301 26.078 -19.299 1.00 35.45 N ATOM 220 CA THR A 761 -21.026 25.746 -20.686 1.00 32.46 C ATOM 221 C THR A 761 -19.782 24.877 -20.666 1.00 30.25 C ATOM 222 O THR A 761 -19.076 24.853 -19.650 1.00 27.11 O ATOM 223 CB THR A 761 -20.797 27.021 -21.500 1.00 37.46 C ATOM 224 OG1 THR A 761 -19.661 27.707 -20.980 1.00 31.56 O ATOM 225 CG2 THR A 761 -22.023 27.953 -21.525 1.00 37.50 C ATOM 226 HG1 THR A 761 -19.508 28.533 -21.503 1.00 0.00 H ATOM 227 H THR A 761 -20.914 26.967 -18.922 1.00 0.00 H ATOM 228 N ALA A 762 -19.511 24.176 -21.778 1.00 25.91 N ATOM 229 CA ALA A 762 -18.304 23.369 -21.955 1.00 25.50 C ATOM 230 C ALA A 762 -17.081 24.303 -21.860 1.00 29.62 C ATOM 231 O ALA A 762 -16.103 23.940 -21.224 1.00 27.09 O ATOM 232 CB ALA A 762 -18.328 22.688 -23.318 1.00 26.57 C ATOM 233 H ALA A 762 -20.198 24.208 -22.558 1.00 0.00 H ATOM 234 N GLU A 763 -17.165 25.527 -22.459 1.00 26.76 N ATOM 235 CA GLU A 763 -16.056 26.506 -22.468 1.00 26.83 C ATOM 236 C GLU A 763 -15.656 26.876 -21.060 1.00 29.07 C ATOM 237 O GLU A 763 -14.471 26.839 -20.755 1.00 27.66 O ATOM 238 CB GLU A 763 -16.400 27.794 -23.256 1.00 29.12 C ATOM 239 CG GLU A 763 -17.179 27.578 -24.547 1.00 46.87 C ATOM 240 CD GLU A 763 -18.682 27.444 -24.407 1.00 65.76 C ATOM 241 OE1 GLU A 763 -19.372 28.485 -24.292 1.00 66.80 O ATOM 242 OE2 GLU A 763 -19.168 26.289 -24.426 1.00 42.53 O ATOM 243 H GLU A 763 -18.054 25.784 -22.933 1.00 0.00 H ATOM 244 N ASN A 764 -16.643 27.193 -20.198 1.00 25.35 N ATOM 245 CA ASN A 764 -16.440 27.581 -18.803 1.00 24.38 C ATOM 246 C ASN A 764 -15.918 26.432 -17.921 1.00 24.23 C ATOM 247 O ASN A 764 -14.949 26.625 -17.173 1.00 22.49 O ATOM 248 CB ASN A 764 -17.720 28.207 -18.244 1.00 26.89 C ATOM 249 CG ASN A 764 -18.045 29.545 -18.887 1.00 54.22 C ATOM 250 OD1 ASN A 764 -17.197 30.181 -19.534 1.00 46.36 O ATOM 251 ND2 ASN A 764 -19.277 30.006 -18.723 1.00 46.12 N ATOM 252 HD22 ASN A 764 -19.970 29.455 -18.177 1.00 0.00 H ATOM 253 HD21 ASN A 764 -19.551 30.918 -19.140 1.00 0.00 H ATOM 254 H ASN A 764 -17.621 27.159 -20.551 1.00 0.00 H ATOM 255 N LEU A 765 -16.516 25.234 -18.040 1.00 21.41 N ATOM 256 CA LEU A 765 -16.047 24.068 -17.282 1.00 19.67 C ATOM 257 C LEU A 765 -14.636 23.657 -17.662 1.00 20.09 C ATOM 258 O LEU A 765 -13.809 23.466 -16.778 1.00 19.19 O ATOM 259 CB LEU A 765 -17.001 22.871 -17.423 1.00 20.68 C ATOM 260 CG LEU A 765 -18.256 22.888 -16.530 1.00 26.54 C ATOM 261 CD1 LEU A 765 -19.222 21.796 -16.963 1.00 26.84 C ATOM 262 CD2 LEU A 765 -17.892 22.659 -15.051 1.00 31.73 C ATOM 263 H LEU A 765 -17.328 25.131 -18.682 1.00 0.00 H ATOM 264 N LEU A 766 -14.357 23.507 -18.963 1.00 17.01 N ATOM 265 CA LEU A 766 -13.025 23.090 -19.431 1.00 16.10 C ATOM 266 C LEU A 766 -11.949 24.120 -19.059 1.00 19.20 C ATOM 267 O LEU A 766 -10.846 23.733 -18.644 1.00 17.09 O ATOM 268 CB LEU A 766 -13.039 22.795 -20.941 1.00 16.70 C ATOM 269 CG LEU A 766 -13.941 21.634 -21.380 1.00 19.89 C ATOM 270 CD1 LEU A 766 -13.884 21.451 -22.878 1.00 19.87 C ATOM 271 CD2 LEU A 766 -13.583 20.331 -20.633 1.00 20.89 C ATOM 272 H LEU A 766 -15.103 23.691 -19.664 1.00 0.00 H ATOM 273 N SER A 767 -12.298 25.431 -19.132 1.00 17.23 N ATOM 274 CA SER A 767 -11.375 26.515 -18.753 1.00 16.60 C ATOM 275 C SER A 767 -11.041 26.403 -17.264 1.00 19.52 C ATOM 276 O SER A 767 -9.878 26.558 -16.891 1.00 17.27 O ATOM 277 CB SER A 767 -11.975 27.881 -19.064 1.00 19.05 C ATOM 278 OG SER A 767 -12.064 28.081 -20.467 1.00 23.84 O ATOM 279 HG SER A 767 -12.640 27.380 -20.863 1.00 0.00 H ATOM 280 H SER A 767 -13.251 25.678 -19.467 1.00 0.00 H ATOM 281 N THR A 768 -12.045 26.031 -16.426 1.00 18.12 N ATOM 282 CA THR A 768 -11.833 25.817 -14.982 1.00 17.30 C ATOM 283 C THR A 768 -10.910 24.609 -14.759 1.00 18.57 C ATOM 284 O THR A 768 -9.995 24.681 -13.933 1.00 16.57 O ATOM 285 CB THR A 768 -13.182 25.667 -14.257 1.00 24.01 C ATOM 286 OG1 THR A 768 -13.924 26.870 -14.449 1.00 20.89 O ATOM 287 CG2 THR A 768 -13.023 25.397 -12.764 1.00 22.34 C ATOM 288 HG1 THR A 768 -14.071 27.015 -15.417 1.00 0.00 H ATOM 289 H THR A 768 -12.998 25.892 -16.818 1.00 0.00 H ATOM 290 N LEU A 769 -11.127 23.509 -15.512 1.00 16.00 N ATOM 291 CA LEU A 769 -10.280 22.317 -15.401 1.00 14.60 C ATOM 292 C LEU A 769 -8.823 22.637 -15.777 1.00 17.63 C ATOM 293 O LEU A 769 -7.899 22.155 -15.129 1.00 16.16 O ATOM 294 CB LEU A 769 -10.814 21.178 -16.260 1.00 14.10 C ATOM 295 CG LEU A 769 -12.189 20.581 -15.893 1.00 18.43 C ATOM 296 CD1 LEU A 769 -12.478 19.309 -16.736 1.00 19.02 C ATOM 297 CD2 LEU A 769 -12.285 20.274 -14.429 1.00 19.06 C ATOM 298 H LEU A 769 -11.916 23.507 -16.189 1.00 0.00 H ATOM 299 N ASN A 770 -8.631 23.457 -16.820 1.00 15.02 N ATOM 300 CA ASN A 770 -7.300 23.849 -17.270 1.00 15.59 C ATOM 301 C ASN A 770 -6.567 24.735 -16.242 1.00 18.82 C ATOM 302 O ASN A 770 -5.367 24.565 -16.064 1.00 17.77 O ATOM 303 CB ASN A 770 -7.368 24.513 -18.653 1.00 16.22 C ATOM 304 CG ASN A 770 -7.739 23.520 -19.722 1.00 20.35 C ATOM 305 OD1 ASN A 770 -7.603 22.308 -19.535 1.00 20.35 O ATOM 306 ND2 ASN A 770 -8.292 23.989 -20.814 1.00 14.99 N ATOM 307 HD22 ASN A 770 -8.394 25.016 -20.946 1.00 0.00 H ATOM 308 HD21 ASN A 770 -8.629 23.335 -21.549 1.00 0.00 H ATOM 309 H ASN A 770 -9.461 23.827 -17.326 1.00 0.00 H ATOM 310 N ARG A 771 -7.302 25.640 -15.557 1.00 17.34 N ATOM 311 CA ARG A 771 -6.787 26.525 -14.498 1.00 17.22 C ATOM 312 C ARG A 771 -6.350 25.598 -13.331 1.00 18.74 C ATOM 313 O ARG A 771 -5.234 25.725 -12.784 1.00 16.96 O ATOM 314 CB ARG A 771 -7.920 27.478 -14.061 1.00 18.45 C ATOM 315 CG ARG A 771 -7.499 28.685 -13.259 1.00 35.42 C ATOM 316 CD ARG A 771 -8.525 29.802 -13.388 1.00 45.78 C ATOM 317 NE ARG A 771 -9.829 29.470 -12.792 1.00 51.09 N ATOM 318 CZ ARG A 771 -10.964 29.333 -13.477 1.00 58.23 C ATOM 319 NH1 ARG A 771 -12.096 29.057 -12.846 1.00 42.78 N ATOM 320 NH2 ARG A 771 -10.975 29.481 -14.798 1.00 43.13 N ATOM 321 HE ARG A 771 -9.868 29.332 -11.762 1.00 0.00 H ATOM 322 HH12 ARG A 771 -12.979 28.951 -13.385 1.00 0.00 H ATOM 323 HH11 ARG A 771 -12.101 28.946 -11.812 1.00 0.00 H ATOM 324 HH22 ARG A 771 -11.864 29.373 -15.326 1.00 0.00 H ATOM 325 HH21 ARG A 771 -10.094 29.705 -15.303 1.00 0.00 H ATOM 326 H ARG A 771 -8.311 25.717 -15.797 1.00 0.00 H ATOM 327 N LEU A 772 -7.196 24.609 -13.029 1.00 16.08 N ATOM 328 CA LEU A 772 -6.926 23.588 -12.013 1.00 16.25 C ATOM 329 C LEU A 772 -5.660 22.764 -12.368 1.00 18.47 C ATOM 330 O LEU A 772 -4.761 22.631 -11.522 1.00 18.42 O ATOM 331 CB LEU A 772 -8.183 22.698 -11.837 1.00 17.74 C ATOM 332 CG LEU A 772 -8.119 21.584 -10.812 1.00 23.72 C ATOM 333 CD1 LEU A 772 -7.769 22.128 -9.413 1.00 24.20 C ATOM 334 CD2 LEU A 772 -9.450 20.831 -10.776 1.00 24.07 C ATOM 335 H LEU A 772 -8.098 24.561 -13.545 1.00 0.00 H ATOM 336 N ALA A 773 -5.551 22.285 -13.632 1.00 16.30 N ATOM 337 CA ALA A 773 -4.384 21.534 -14.131 1.00 16.03 C ATOM 338 C ALA A 773 -3.088 22.354 -14.012 1.00 18.76 C ATOM 339 O ALA A 773 -2.058 21.804 -13.630 1.00 16.28 O ATOM 340 CB ALA A 773 -4.608 21.086 -15.571 1.00 17.13 C ATOM 341 H ALA A 773 -6.338 22.458 -14.289 1.00 0.00 H ATOM 342 N GLY A 774 -3.156 23.654 -14.307 1.00 16.45 N ATOM 343 CA GLY A 774 -2.006 24.542 -14.171 1.00 16.33 C ATOM 344 C GLY A 774 -1.528 24.622 -12.730 1.00 19.80 C ATOM 345 O GLY A 774 -0.325 24.519 -12.468 1.00 18.75 O ATOM 346 H GLY A 774 -4.058 24.047 -14.645 1.00 0.00 H ATOM 347 N LYS A 775 -2.464 24.827 -11.774 1.00 16.07 N ATOM 348 CA LYS A 775 -2.109 24.906 -10.348 1.00 17.38 C ATOM 349 C LYS A 775 -1.499 23.573 -9.896 1.00 20.05 C ATOM 350 O LYS A 775 -0.457 23.576 -9.243 1.00 20.61 O ATOM 351 CB LYS A 775 -3.309 25.276 -9.475 1.00 19.82 C ATOM 352 CG LYS A 775 -3.799 26.705 -9.702 1.00 28.10 C ATOM 353 CD LYS A 775 -4.843 27.143 -8.680 1.00 42.84 C ATOM 354 CE LYS A 775 -6.237 27.198 -9.256 1.00 58.60 C ATOM 355 NZ LYS A 775 -7.183 27.877 -8.332 1.00 70.58 N ATOM 356 HZ1 LYS A 775 -7.219 27.358 -7.432 1.00 0.00 H ATOM 357 HZ2 LYS A 775 -6.859 28.850 -8.160 1.00 0.00 H ATOM 358 HZ3 LYS A 775 -8.130 27.896 -8.760 1.00 0.00 H ATOM 359 H LYS A 775 -3.460 24.931 -12.054 1.00 0.00 H ATOM 360 N GLN A 776 -2.090 22.444 -10.332 1.00 15.88 N ATOM 361 CA GLN A 776 -1.596 21.096 -10.006 1.00 15.46 C ATOM 362 C GLN A 776 -0.202 20.886 -10.550 1.00 20.50 C ATOM 363 O GLN A 776 0.615 20.245 -9.890 1.00 19.22 O ATOM 364 CB GLN A 776 -2.543 20.023 -10.563 1.00 15.88 C ATOM 365 CG GLN A 776 -3.851 19.918 -9.785 1.00 17.81 C ATOM 366 CD GLN A 776 -4.870 19.089 -10.553 1.00 20.35 C ATOM 367 OE1 GLN A 776 -4.635 18.671 -11.695 1.00 20.16 O ATOM 368 NE2 GLN A 776 -6.065 18.960 -10.010 1.00 18.79 N ATOM 369 HE22 GLN A 776 -6.241 19.318 -9.050 1.00 0.00 H ATOM 370 HE21 GLN A 776 -6.831 18.500 -10.542 1.00 0.00 H ATOM 371 H GLN A 776 -2.938 22.529 -10.929 1.00 0.00 H ATOM 372 N MET A 777 0.092 21.435 -11.745 1.00 17.97 N ATOM 373 CA MET A 777 1.423 21.296 -12.337 1.00 20.37 C ATOM 374 C MET A 777 2.519 21.976 -11.512 1.00 20.68 C ATOM 375 O MET A 777 3.621 21.434 -11.408 1.00 18.11 O ATOM 376 CB MET A 777 1.456 21.739 -13.807 1.00 24.89 C ATOM 377 CG MET A 777 0.816 20.707 -14.752 1.00 32.34 C ATOM 378 SD MET A 777 0.935 18.959 -14.237 1.00 40.79 S ATOM 379 CE MET A 777 2.743 18.696 -14.438 1.00 37.74 C ATOM 380 H MET A 777 -0.641 21.967 -12.256 1.00 0.00 H ATOM 381 N ILE A 778 2.202 23.108 -10.867 1.00 18.15 N ATOM 382 CA ILE A 778 3.165 23.769 -9.972 1.00 18.91 C ATOM 383 C ILE A 778 3.450 22.827 -8.794 1.00 20.24 C ATOM 384 O ILE A 778 4.610 22.641 -8.423 1.00 20.19 O ATOM 385 CB ILE A 778 2.654 25.161 -9.503 1.00 22.25 C ATOM 386 CG1 ILE A 778 2.514 26.112 -10.722 1.00 22.51 C ATOM 387 CG2 ILE A 778 3.580 25.760 -8.414 1.00 24.06 C ATOM 388 CD1 ILE A 778 1.635 27.315 -10.487 1.00 32.32 C ATOM 389 H ILE A 778 1.259 23.526 -11.002 1.00 0.00 H ATOM 390 N GLN A 779 2.395 22.201 -8.254 1.00 16.86 N ATOM 391 CA GLN A 779 2.516 21.255 -7.146 1.00 16.59 C ATOM 392 C GLN A 779 3.343 20.034 -7.537 1.00 19.07 C ATOM 393 O GLN A 779 4.161 19.582 -6.725 1.00 17.58 O ATOM 394 CB GLN A 779 1.143 20.815 -6.664 1.00 17.93 C ATOM 395 CG GLN A 779 0.339 21.925 -6.028 1.00 19.80 C ATOM 396 CD GLN A 779 -0.847 21.283 -5.384 1.00 38.47 C ATOM 397 OE1 GLN A 779 -1.501 20.410 -5.973 1.00 33.37 O ATOM 398 NE2 GLN A 779 -1.145 21.694 -4.166 1.00 30.99 N ATOM 399 HE22 GLN A 779 -0.568 22.429 -3.710 1.00 0.00 H ATOM 400 HE21 GLN A 779 -1.957 21.282 -3.662 1.00 0.00 H ATOM 401 H GLN A 779 1.449 22.397 -8.640 1.00 0.00 H ATOM 402 N VAL A 780 3.164 19.522 -8.780 1.00 14.93 N ATOM 403 CA VAL A 780 3.952 18.379 -9.308 1.00 15.34 C ATOM 404 C VAL A 780 5.438 18.745 -9.282 1.00 17.66 C ATOM 405 O VAL A 780 6.255 17.941 -8.837 1.00 16.56 O ATOM 406 CB VAL A 780 3.531 17.977 -10.745 1.00 18.94 C ATOM 407 CG1 VAL A 780 4.560 17.024 -11.377 1.00 18.04 C ATOM 408 CG2 VAL A 780 2.138 17.347 -10.750 1.00 18.40 C ATOM 409 H VAL A 780 2.441 19.950 -9.393 1.00 0.00 H ATOM 410 N VAL A 781 5.796 19.947 -9.764 1.00 15.96 N ATOM 411 CA VAL A 781 7.217 20.373 -9.741 1.00 16.61 C ATOM 412 C VAL A 781 7.766 20.403 -8.313 1.00 19.72 C ATOM 413 O VAL A 781 8.810 19.803 -8.072 1.00 18.89 O ATOM 414 CB VAL A 781 7.493 21.704 -10.489 1.00 21.76 C ATOM 415 CG1 VAL A 781 8.984 22.042 -10.467 1.00 22.32 C ATOM 416 CG2 VAL A 781 6.975 21.644 -11.922 1.00 21.35 C ATOM 417 H VAL A 781 5.072 20.583 -10.156 1.00 0.00 H ATOM 418 N LYS A 782 7.053 21.050 -7.371 1.00 18.66 N ATOM 419 CA LYS A 782 7.495 21.135 -5.960 1.00 18.64 C ATOM 420 C LYS A 782 7.676 19.737 -5.344 1.00 19.91 C ATOM 421 O LYS A 782 8.658 19.481 -4.634 1.00 18.13 O ATOM 422 CB LYS A 782 6.513 21.971 -5.125 1.00 22.77 C ATOM 423 CG LYS A 782 6.528 23.443 -5.549 1.00 44.19 C ATOM 424 CD LYS A 782 5.762 24.379 -4.607 1.00 55.51 C ATOM 425 CE LYS A 782 5.907 25.813 -5.081 1.00 65.75 C ATOM 426 NZ LYS A 782 5.518 26.803 -4.040 1.00 72.06 N ATOM 427 HZ1 LYS A 782 4.524 26.653 -3.775 1.00 0.00 H ATOM 428 HZ2 LYS A 782 6.123 26.680 -3.203 1.00 0.00 H ATOM 429 HZ3 LYS A 782 5.636 27.765 -4.417 1.00 0.00 H ATOM 430 H LYS A 782 6.159 21.507 -7.644 1.00 0.00 H ATOM 431 N TRP A 783 6.747 18.826 -5.662 1.00 15.69 N ATOM 432 CA TRP A 783 6.783 17.444 -5.184 1.00 16.29 C ATOM 433 C TRP A 783 7.951 16.679 -5.813 1.00 19.94 C ATOM 434 O TRP A 783 8.703 16.024 -5.093 1.00 18.40 O ATOM 435 CB TRP A 783 5.445 16.780 -5.511 1.00 14.46 C ATOM 436 CG TRP A 783 5.377 15.287 -5.422 1.00 15.36 C ATOM 437 CD1 TRP A 783 5.125 14.542 -4.307 1.00 17.89 C ATOM 438 CD2 TRP A 783 5.403 14.363 -6.527 1.00 15.40 C ATOM 439 NE1 TRP A 783 5.048 13.211 -4.638 1.00 17.19 N ATOM 440 CE2 TRP A 783 5.231 13.070 -5.991 1.00 18.84 C ATOM 441 CE3 TRP A 783 5.632 14.500 -7.916 1.00 16.98 C ATOM 442 CZ2 TRP A 783 5.209 11.919 -6.798 1.00 18.65 C ATOM 443 CZ3 TRP A 783 5.596 13.365 -8.717 1.00 18.30 C ATOM 444 CH2 TRP A 783 5.388 12.092 -8.158 1.00 19.11 C ATOM 445 HE1 TRP A 783 4.878 12.433 -3.969 1.00 0.00 H ATOM 446 H TRP A 783 5.961 19.115 -6.279 1.00 0.00 H ATOM 447 N ALA A 784 8.112 16.776 -7.138 1.00 17.16 N ATOM 448 CA ALA A 784 9.172 16.047 -7.847 1.00 17.59 C ATOM 449 C ALA A 784 10.575 16.453 -7.373 1.00 21.53 C ATOM 450 O ALA A 784 11.410 15.577 -7.169 1.00 20.47 O ATOM 451 CB ALA A 784 9.027 16.228 -9.350 1.00 18.38 C ATOM 452 H ALA A 784 7.468 17.385 -7.682 1.00 0.00 H ATOM 453 N LYS A 785 10.791 17.740 -7.066 1.00 19.25 N ATOM 454 CA LYS A 785 12.094 18.229 -6.588 1.00 19.16 C ATOM 455 C LYS A 785 12.540 17.550 -5.275 1.00 22.73 C ATOM 456 O LYS A 785 13.733 17.335 -5.072 1.00 24.83 O ATOM 457 CB LYS A 785 12.057 19.751 -6.406 1.00 21.38 C ATOM 458 CG LYS A 785 12.052 20.506 -7.736 1.00 26.64 C ATOM 459 CD LYS A 785 11.819 21.997 -7.522 1.00 30.76 C ATOM 460 CE LYS A 785 13.092 22.755 -7.239 1.00 36.23 C ATOM 461 NZ LYS A 785 12.798 24.185 -7.013 1.00 41.59 N ATOM 462 HZ1 LYS A 785 12.347 24.583 -7.861 1.00 0.00 H ATOM 463 HZ2 LYS A 785 12.157 24.282 -6.200 1.00 0.00 H ATOM 464 HZ3 LYS A 785 13.684 24.694 -6.819 1.00 0.00 H ATOM 465 H LYS A 785 10.009 18.418 -7.169 1.00 0.00 H ATOM 466 N VAL A 786 11.577 17.187 -4.408 1.00 16.12 N ATOM 467 CA VAL A 786 11.861 16.555 -3.119 1.00 15.92 C ATOM 468 C VAL A 786 11.597 15.037 -3.141 1.00 20.43 C ATOM 469 O VAL A 786 11.701 14.383 -2.120 1.00 19.59 O ATOM 470 CB VAL A 786 11.144 17.276 -1.944 1.00 20.03 C ATOM 471 CG1 VAL A 786 11.677 18.705 -1.779 1.00 20.72 C ATOM 472 CG2 VAL A 786 9.605 17.246 -2.087 1.00 19.40 C ATOM 473 H VAL A 786 10.585 17.364 -4.666 1.00 0.00 H ATOM 474 N LEU A 787 11.278 14.485 -4.310 1.00 17.71 N ATOM 475 CA LEU A 787 11.022 13.067 -4.469 1.00 16.84 C ATOM 476 C LEU A 787 12.360 12.307 -4.383 1.00 21.03 C ATOM 477 O LEU A 787 13.254 12.612 -5.162 1.00 20.14 O ATOM 478 CB LEU A 787 10.357 12.886 -5.832 1.00 17.37 C ATOM 479 CG LEU A 787 9.860 11.506 -6.196 1.00 23.13 C ATOM 480 CD1 LEU A 787 8.639 11.147 -5.358 1.00 23.57 C ATOM 481 CD2 LEU A 787 9.458 11.484 -7.653 1.00 24.81 C ATOM 482 H LEU A 787 11.209 15.099 -5.147 1.00 0.00 H ATOM 483 N PRO A 788 12.558 11.352 -3.442 1.00 20.33 N ATOM 484 CA PRO A 788 13.864 10.648 -3.388 1.00 21.08 C ATOM 485 C PRO A 788 14.289 10.046 -4.724 1.00 24.17 C ATOM 486 O PRO A 788 13.511 9.343 -5.374 1.00 23.27 O ATOM 487 CB PRO A 788 13.666 9.600 -2.288 1.00 23.44 C ATOM 488 CG PRO A 788 12.573 10.186 -1.419 1.00 27.38 C ATOM 489 CD PRO A 788 11.637 10.854 -2.397 1.00 22.04 C ATOM 490 N GLY A 789 15.488 10.423 -5.160 1.00 21.08 N ATOM 491 CA GLY A 789 16.091 9.962 -6.405 1.00 20.41 C ATOM 492 C GLY A 789 15.923 10.884 -7.602 1.00 22.08 C ATOM 493 O GLY A 789 16.718 10.811 -8.546 1.00 20.84 O ATOM 494 H GLY A 789 16.031 11.090 -4.575 1.00 0.00 H ATOM 495 N PHE A 790 14.883 11.748 -7.592 1.00 18.37 N ATOM 496 CA PHE A 790 14.588 12.625 -8.726 1.00 17.95 C ATOM 497 C PHE A 790 15.686 13.613 -9.038 1.00 22.30 C ATOM 498 O PHE A 790 15.968 13.839 -10.213 1.00 19.78 O ATOM 499 CB PHE A 790 13.248 13.344 -8.552 1.00 18.31 C ATOM 500 CG PHE A 790 12.709 13.962 -9.819 1.00 18.91 C ATOM 501 CD1 PHE A 790 12.193 13.162 -10.838 1.00 20.41 C ATOM 502 CD2 PHE A 790 12.704 15.343 -9.990 1.00 20.09 C ATOM 503 CE1 PHE A 790 11.670 13.734 -12.002 1.00 20.70 C ATOM 504 CE2 PHE A 790 12.170 15.915 -11.143 1.00 22.50 C ATOM 505 CZ PHE A 790 11.642 15.106 -12.137 1.00 19.34 C ATOM 506 H PHE A 790 14.273 11.791 -6.751 1.00 0.00 H ATOM 507 N LYS A 791 16.314 14.179 -7.990 1.00 21.83 N ATOM 508 CA LYS A 791 17.421 15.131 -8.136 1.00 23.41 C ATOM 509 C LYS A 791 18.630 14.546 -8.889 1.00 27.48 C ATOM 510 O LYS A 791 19.412 15.314 -9.442 1.00 28.31 O ATOM 511 CB LYS A 791 17.846 15.719 -6.773 1.00 26.76 C ATOM 512 CG LYS A 791 18.475 14.698 -5.812 1.00 45.39 C ATOM 513 CD LYS A 791 19.457 15.324 -4.838 1.00 57.24 C ATOM 514 CE LYS A 791 20.036 14.285 -3.906 1.00 70.50 C ATOM 515 NZ LYS A 791 21.096 13.468 -4.556 1.00 79.79 N ATOM 516 HZ1 LYS A 791 20.696 12.974 -5.379 1.00 0.00 H ATOM 517 HZ2 LYS A 791 21.870 14.090 -4.866 1.00 0.00 H ATOM 518 HZ3 LYS A 791 21.461 12.771 -3.876 1.00 0.00 H ATOM 519 H LYS A 791 15.999 13.929 -7.031 1.00 0.00 H ATOM 520 N ASN A 792 18.803 13.213 -8.877 1.00 24.08 N ATOM 521 CA ASN A 792 19.912 12.535 -9.565 1.00 24.15 C ATOM 522 C ASN A 792 19.782 12.628 -11.093 1.00 26.91 C ATOM 523 O ASN A 792 20.786 12.582 -11.811 1.00 27.37 O ATOM 524 CB ASN A 792 20.001 11.065 -9.151 1.00 25.01 C ATOM 525 CG ASN A 792 20.264 10.805 -7.683 1.00 47.40 C ATOM 526 OD1 ASN A 792 19.745 9.840 -7.101 1.00 42.39 O ATOM 527 ND2 ASN A 792 21.104 11.622 -7.060 1.00 37.65 N ATOM 528 HD22 ASN A 792 21.525 12.424 -7.571 1.00 0.00 H ATOM 529 HD21 ASN A 792 21.341 11.461 -6.060 1.00 0.00 H ATOM 530 H ASN A 792 18.117 12.631 -8.354 1.00 0.00 H ATOM 531 N LEU A 793 18.547 12.726 -11.590 1.00 20.78 N ATOM 532 CA LEU A 793 18.306 12.814 -13.026 1.00 19.45 C ATOM 533 C LEU A 793 18.679 14.206 -13.558 1.00 23.08 C ATOM 534 O LEU A 793 18.426 15.196 -12.872 1.00 23.39 O ATOM 535 CB LEU A 793 16.860 12.431 -13.403 1.00 18.34 C ATOM 536 CG LEU A 793 16.289 11.185 -12.714 1.00 21.63 C ATOM 537 CD1 LEU A 793 14.848 10.923 -13.165 1.00 21.52 C ATOM 538 CD2 LEU A 793 17.201 9.922 -12.917 1.00 23.00 C ATOM 539 H LEU A 793 17.737 12.740 -10.938 1.00 0.00 H ATOM 540 N PRO A 794 19.284 14.293 -14.767 1.00 20.18 N ATOM 541 CA PRO A 794 19.642 15.611 -15.324 1.00 19.66 C ATOM 542 C PRO A 794 18.396 16.436 -15.617 1.00 23.99 C ATOM 543 O PRO A 794 17.311 15.869 -15.792 1.00 21.68 O ATOM 544 CB PRO A 794 20.439 15.276 -16.591 1.00 21.51 C ATOM 545 CG PRO A 794 20.064 13.921 -16.951 1.00 25.40 C ATOM 546 CD PRO A 794 19.644 13.198 -15.698 1.00 21.54 C ATOM 547 N LEU A 795 18.544 17.772 -15.601 1.00 22.19 N ATOM 548 CA LEU A 795 17.433 18.717 -15.808 1.00 21.59 C ATOM 549 C LEU A 795 16.592 18.417 -17.060 1.00 24.35 C ATOM 550 O LEU A 795 15.362 18.452 -16.965 1.00 23.76 O ATOM 551 CB LEU A 795 17.947 20.167 -15.804 1.00 21.94 C ATOM 552 CG LEU A 795 16.941 21.297 -16.094 1.00 26.55 C ATOM 553 CD1 LEU A 795 15.841 21.387 -15.007 1.00 26.52 C ATOM 554 CD2 LEU A 795 17.669 22.632 -16.287 1.00 27.95 C ATOM 555 H LEU A 795 19.494 18.160 -15.433 1.00 0.00 H ATOM 556 N GLU A 796 17.239 18.099 -18.204 1.00 20.97 N ATOM 557 CA GLU A 796 16.517 17.767 -19.442 1.00 20.75 C ATOM 558 C GLU A 796 15.576 16.565 -19.219 1.00 20.87 C ATOM 559 O GLU A 796 14.431 16.591 -19.687 1.00 18.28 O ATOM 560 CB GLU A 796 17.497 17.464 -20.587 1.00 23.23 C ATOM 561 CG GLU A 796 16.816 17.358 -21.946 1.00 35.28 C ATOM 562 CD GLU A 796 17.711 17.043 -23.129 1.00 50.93 C ATOM 563 OE1 GLU A 796 18.902 17.428 -23.103 1.00 35.19 O ATOM 564 OE2 GLU A 796 17.208 16.435 -24.100 1.00 43.70 O ATOM 565 H GLU A 796 18.279 18.089 -18.209 1.00 0.00 H ATOM 566 N ASP A 797 16.064 15.520 -18.531 1.00 17.13 N ATOM 567 CA ASP A 797 15.241 14.338 -18.229 1.00 15.53 C ATOM 568 C ASP A 797 14.105 14.653 -17.258 1.00 17.15 C ATOM 569 O ASP A 797 13.003 14.115 -17.399 1.00 16.07 O ATOM 570 CB ASP A 797 16.113 13.191 -17.713 1.00 17.15 C ATOM 571 CG ASP A 797 17.003 12.619 -18.802 1.00 23.10 C ATOM 572 OD1 ASP A 797 16.826 13.012 -19.986 1.00 25.70 O ATOM 573 OD2 ASP A 797 17.900 11.814 -18.474 1.00 21.83 O ATOM 574 H ASP A 797 17.050 15.547 -18.203 1.00 0.00 H ATOM 575 N GLN A 798 14.366 15.509 -16.264 1.00 15.40 N ATOM 576 CA GLN A 798 13.315 15.886 -15.293 1.00 15.00 C ATOM 577 C GLN A 798 12.155 16.575 -16.015 1.00 18.77 C ATOM 578 O GLN A 798 10.986 16.281 -15.756 1.00 16.91 O ATOM 579 CB GLN A 798 13.889 16.825 -14.229 1.00 16.62 C ATOM 580 CG GLN A 798 14.950 16.166 -13.328 1.00 25.15 C ATOM 581 CD GLN A 798 15.422 17.136 -12.269 1.00 32.67 C ATOM 582 OE1 GLN A 798 15.096 18.321 -12.296 1.00 29.31 O ATOM 583 NE2 GLN A 798 16.173 16.658 -11.290 1.00 27.30 N ATOM 584 HE22 GLN A 798 16.440 15.653 -11.283 1.00 0.00 H ATOM 585 HE21 GLN A 798 16.497 17.288 -10.528 1.00 0.00 H ATOM 586 H GLN A 798 15.319 15.915 -16.172 1.00 0.00 H ATOM 587 N ILE A 799 12.492 17.487 -16.935 1.00 16.99 N ATOM 588 CA ILE A 799 11.516 18.214 -17.756 1.00 16.65 C ATOM 589 C ILE A 799 10.754 17.230 -18.649 1.00 18.76 C ATOM 590 O ILE A 799 9.525 17.289 -18.716 1.00 16.79 O ATOM 591 CB ILE A 799 12.250 19.313 -18.579 1.00 20.04 C ATOM 592 CG1 ILE A 799 12.695 20.454 -17.652 1.00 20.36 C ATOM 593 CG2 ILE A 799 11.366 19.818 -19.745 1.00 20.86 C ATOM 594 CD1 ILE A 799 13.736 21.321 -18.196 1.00 24.14 C ATOM 595 H ILE A 799 13.502 17.692 -17.076 1.00 0.00 H ATOM 596 N THR A 800 11.475 16.296 -19.295 1.00 16.66 N ATOM 597 CA THR A 800 10.839 15.306 -20.179 1.00 16.35 C ATOM 598 C THR A 800 9.792 14.474 -19.419 1.00 18.93 C ATOM 599 O THR A 800 8.661 14.327 -19.886 1.00 17.89 O ATOM 600 CB THR A 800 11.911 14.428 -20.835 1.00 20.34 C ATOM 601 OG1 THR A 800 12.691 15.245 -21.699 1.00 20.10 O ATOM 602 CG2 THR A 800 11.320 13.260 -21.613 1.00 21.93 C ATOM 603 HG1 THR A 800 13.118 15.966 -21.172 1.00 0.00 H ATOM 604 H THR A 800 12.507 16.273 -19.167 1.00 0.00 H ATOM 605 N LEU A 801 10.175 13.938 -18.246 1.00 15.47 N ATOM 606 CA LEU A 801 9.283 13.096 -17.437 1.00 13.87 C ATOM 607 C LEU A 801 8.030 13.830 -16.962 1.00 17.31 C ATOM 608 O LEU A 801 6.930 13.292 -17.099 1.00 16.26 O ATOM 609 CB LEU A 801 10.035 12.473 -16.271 1.00 13.00 C ATOM 610 CG LEU A 801 11.119 11.467 -16.689 1.00 15.66 C ATOM 611 CD1 LEU A 801 12.071 11.198 -15.544 1.00 15.85 C ATOM 612 CD2 LEU A 801 10.500 10.161 -17.238 1.00 15.16 C ATOM 613 H LEU A 801 11.137 14.126 -17.899 1.00 0.00 H ATOM 614 N ILE A 802 8.202 15.069 -16.491 1.00 15.07 N ATOM 615 CA ILE A 802 7.079 15.900 -16.039 1.00 14.21 C ATOM 616 C ILE A 802 6.138 16.207 -17.212 1.00 17.44 C ATOM 617 O ILE A 802 4.918 16.064 -17.062 1.00 16.11 O ATOM 618 CB ILE A 802 7.569 17.160 -15.267 1.00 17.36 C ATOM 619 CG1 ILE A 802 8.155 16.768 -13.874 1.00 16.75 C ATOM 620 CG2 ILE A 802 6.437 18.210 -15.117 1.00 19.43 C ATOM 621 CD1 ILE A 802 8.999 17.916 -13.153 1.00 23.11 C ATOM 622 H ILE A 802 9.165 15.458 -16.443 1.00 0.00 H ATOM 623 N GLN A 803 6.698 16.601 -18.382 1.00 14.83 N ATOM 624 CA GLN A 803 5.878 16.892 -19.567 1.00 15.16 C ATOM 625 C GLN A 803 5.156 15.641 -20.099 1.00 21.39 C ATOM 626 O GLN A 803 3.984 15.719 -20.481 1.00 21.81 O ATOM 627 CB GLN A 803 6.737 17.495 -20.678 1.00 15.24 C ATOM 628 CG GLN A 803 7.227 18.919 -20.400 1.00 19.42 C ATOM 629 CD GLN A 803 8.136 19.403 -21.517 1.00 34.80 C ATOM 630 OE1 GLN A 803 8.789 18.621 -22.221 1.00 29.23 O ATOM 631 NE2 GLN A 803 8.217 20.704 -21.687 1.00 29.03 N ATOM 632 HE22 GLN A 803 7.660 21.343 -21.085 1.00 0.00 H ATOM 633 HE21 GLN A 803 8.838 21.094 -22.424 1.00 0.00 H ATOM 634 H GLN A 803 7.732 16.700 -18.443 1.00 0.00 H ATOM 635 N TYR A 804 5.839 14.484 -20.125 1.00 17.81 N ATOM 636 CA TYR A 804 5.183 13.281 -20.635 1.00 17.75 C ATOM 637 C TYR A 804 4.134 12.688 -19.678 1.00 21.03 C ATOM 638 O TYR A 804 3.179 12.065 -20.139 1.00 21.23 O ATOM 639 CB TYR A 804 6.222 12.194 -20.994 1.00 20.24 C ATOM 640 CG TYR A 804 6.850 12.310 -22.376 1.00 26.02 C ATOM 641 CD1 TYR A 804 6.106 12.743 -23.471 1.00 30.51 C ATOM 642 CD2 TYR A 804 8.141 11.850 -22.614 1.00 27.28 C ATOM 643 CE1 TYR A 804 6.666 12.809 -24.750 1.00 34.23 C ATOM 644 CE2 TYR A 804 8.713 11.911 -23.886 1.00 29.08 C ATOM 645 CZ TYR A 804 7.973 12.397 -24.949 1.00 41.24 C ATOM 646 OH TYR A 804 8.536 12.468 -26.202 1.00 47.18 O ATOM 647 HH TYR A 804 9.331 13.058 -26.173 1.00 0.00 H ATOM 648 H TYR A 804 6.822 14.445 -19.787 1.00 0.00 H ATOM 649 N SER A 805 4.313 12.857 -18.368 1.00 16.60 N ATOM 650 CA SER A 805 3.451 12.208 -17.372 1.00 16.12 C ATOM 651 C SER A 805 2.376 13.099 -16.735 1.00 18.92 C ATOM 652 O SER A 805 1.628 12.600 -15.891 1.00 16.74 O ATOM 653 CB SER A 805 4.315 11.617 -16.257 1.00 16.76 C ATOM 654 OG SER A 805 4.852 12.676 -15.472 1.00 16.83 O ATOM 655 HG SER A 805 5.405 13.263 -16.046 1.00 0.00 H ATOM 656 H SER A 805 5.088 13.468 -18.041 1.00 0.00 H ATOM 657 N TRP A 806 2.313 14.392 -17.087 1.00 17.22 N ATOM 658 CA TRP A 806 1.383 15.321 -16.419 1.00 17.79 C ATOM 659 C TRP A 806 -0.072 14.822 -16.357 1.00 17.64 C ATOM 660 O TRP A 806 -0.669 14.868 -15.274 1.00 15.88 O ATOM 661 CB TRP A 806 1.484 16.732 -17.001 1.00 18.24 C ATOM 662 CG TRP A 806 0.735 16.999 -18.270 1.00 20.43 C ATOM 663 CD1 TRP A 806 1.214 16.911 -19.544 1.00 23.43 C ATOM 664 CD2 TRP A 806 -0.600 17.501 -18.375 1.00 21.08 C ATOM 665 NE1 TRP A 806 0.246 17.305 -20.439 1.00 23.64 N ATOM 666 CE2 TRP A 806 -0.867 17.701 -19.748 1.00 25.08 C ATOM 667 CE3 TRP A 806 -1.605 17.799 -17.438 1.00 22.73 C ATOM 668 CZ2 TRP A 806 -2.104 18.176 -20.210 1.00 24.63 C ATOM 669 CZ3 TRP A 806 -2.818 18.292 -17.896 1.00 24.48 C ATOM 670 CH2 TRP A 806 -3.055 18.484 -19.265 1.00 25.24 C ATOM 671 HE1 TRP A 806 0.344 17.302 -21.474 1.00 0.00 H ATOM 672 H TRP A 806 2.931 14.746 -17.845 1.00 0.00 H ATOM 673 N MET A 807 -0.611 14.300 -17.476 1.00 13.80 N ATOM 674 CA MET A 807 -1.995 13.801 -17.536 1.00 13.61 C ATOM 675 C MET A 807 -2.164 12.520 -16.725 1.00 17.31 C ATOM 676 O MET A 807 -3.238 12.297 -16.156 1.00 16.98 O ATOM 677 CB MET A 807 -2.437 13.590 -18.989 1.00 15.71 C ATOM 678 CG MET A 807 -3.941 13.341 -19.156 1.00 17.83 C ATOM 679 SD MET A 807 -4.960 14.769 -18.708 1.00 20.46 S ATOM 680 CE MET A 807 -4.918 15.709 -20.301 1.00 18.19 C ATOM 681 H MET A 807 -0.025 14.247 -18.333 1.00 0.00 H ATOM 682 N SER A 808 -1.113 11.672 -16.681 1.00 13.61 N ATOM 683 CA SER A 808 -1.101 10.413 -15.928 1.00 12.94 C ATOM 684 C SER A 808 -1.160 10.703 -14.434 1.00 17.30 C ATOM 685 O SER A 808 -1.979 10.103 -13.742 1.00 17.91 O ATOM 686 CB SER A 808 0.156 9.601 -16.245 1.00 15.32 C ATOM 687 OG SER A 808 0.140 9.121 -17.577 1.00 18.54 O ATOM 688 HG SER A 808 0.095 9.887 -18.202 1.00 0.00 H ATOM 689 H SER A 808 -0.258 11.928 -17.215 1.00 0.00 H ATOM 690 N LEU A 809 -0.302 11.620 -13.939 1.00 14.49 N ATOM 691 CA LEU A 809 -0.262 11.989 -12.514 1.00 14.31 C ATOM 692 C LEU A 809 -1.588 12.643 -12.134 1.00 16.73 C ATOM 693 O LEU A 809 -2.149 12.353 -11.086 1.00 16.09 O ATOM 694 CB LEU A 809 0.905 12.979 -12.194 1.00 14.06 C ATOM 695 CG LEU A 809 2.363 12.478 -12.379 1.00 17.66 C ATOM 696 CD1 LEU A 809 3.362 13.596 -12.046 1.00 16.69 C ATOM 697 CD2 LEU A 809 2.666 11.313 -11.478 1.00 20.54 C ATOM 698 H LEU A 809 0.359 12.086 -14.592 1.00 0.00 H ATOM 699 N SER A 810 -2.076 13.521 -13.001 1.00 14.06 N ATOM 700 CA SER A 810 -3.291 14.293 -12.740 1.00 13.46 C ATOM 701 C SER A 810 -4.522 13.405 -12.689 1.00 17.07 C ATOM 702 O SER A 810 -5.371 13.563 -11.791 1.00 15.61 O ATOM 703 CB SER A 810 -3.463 15.382 -13.800 1.00 15.36 C ATOM 704 OG SER A 810 -4.483 16.252 -13.342 1.00 26.86 O ATOM 705 HG SER A 810 -4.213 16.647 -12.475 1.00 0.00 H ATOM 706 H SER A 810 -1.575 13.666 -13.901 1.00 0.00 H ATOM 707 N SER A 811 -4.625 12.462 -13.649 1.00 13.34 N ATOM 708 CA SER A 811 -5.801 11.592 -13.701 1.00 12.38 C ATOM 709 C SER A 811 -5.766 10.586 -12.561 1.00 16.46 C ATOM 710 O SER A 811 -6.804 10.316 -11.966 1.00 15.56 O ATOM 711 CB SER A 811 -5.931 10.928 -15.073 1.00 17.31 C ATOM 712 OG SER A 811 -4.846 10.067 -15.363 1.00 19.96 O ATOM 713 HG SER A 811 -4.003 10.586 -15.353 1.00 0.00 H ATOM 714 H SER A 811 -3.867 12.353 -14.353 1.00 0.00 H ATOM 715 N PHE A 812 -4.564 10.094 -12.200 1.00 14.07 N ATOM 716 CA PHE A 812 -4.451 9.152 -11.086 1.00 13.65 C ATOM 717 C PHE A 812 -4.830 9.831 -9.741 1.00 15.39 C ATOM 718 O PHE A 812 -5.557 9.236 -8.925 1.00 15.75 O ATOM 719 CB PHE A 812 -3.041 8.546 -11.053 1.00 14.33 C ATOM 720 CG PHE A 812 -2.915 7.256 -10.285 1.00 15.34 C ATOM 721 CD1 PHE A 812 -3.526 6.086 -10.745 1.00 18.72 C ATOM 722 CD2 PHE A 812 -2.137 7.190 -9.137 1.00 17.61 C ATOM 723 CE1 PHE A 812 -3.405 4.884 -10.028 1.00 20.63 C ATOM 724 CE2 PHE A 812 -1.992 5.985 -8.438 1.00 20.47 C ATOM 725 CZ PHE A 812 -2.634 4.845 -8.878 1.00 20.16 C ATOM 726 H PHE A 812 -3.710 10.386 -12.717 1.00 0.00 H ATOM 727 N ALA A 813 -4.447 11.094 -9.569 1.00 13.12 N ATOM 728 CA ALA A 813 -4.785 11.842 -8.359 1.00 13.59 C ATOM 729 C ALA A 813 -6.268 12.157 -8.316 1.00 15.85 C ATOM 730 O ALA A 813 -6.874 12.135 -7.246 1.00 16.78 O ATOM 731 CB ALA A 813 -3.979 13.124 -8.290 1.00 14.39 C ATOM 732 H ALA A 813 -3.893 11.561 -10.315 1.00 0.00 H ATOM 733 N LEU A 814 -6.870 12.417 -9.474 1.00 14.19 N ATOM 734 CA LEU A 814 -8.330 12.666 -9.518 1.00 14.36 C ATOM 735 C LEU A 814 -9.067 11.392 -9.042 1.00 16.49 C ATOM 736 O LEU A 814 -10.008 11.466 -8.237 1.00 13.97 O ATOM 737 CB LEU A 814 -8.774 13.062 -10.942 1.00 14.28 C ATOM 738 CG LEU A 814 -10.307 13.081 -11.199 1.00 17.38 C ATOM 739 CD1 LEU A 814 -11.009 14.140 -10.329 1.00 15.79 C ATOM 740 CD2 LEU A 814 -10.596 13.394 -12.665 1.00 17.53 C ATOM 741 H LEU A 814 -6.313 12.446 -10.352 1.00 0.00 H ATOM 742 N SER A 815 -8.617 10.225 -9.524 1.00 14.97 N ATOM 743 CA SER A 815 -9.166 8.942 -9.098 1.00 16.18 C ATOM 744 C SER A 815 -9.013 8.790 -7.562 1.00 17.46 C ATOM 745 O SER A 815 -9.989 8.419 -6.894 1.00 15.72 O ATOM 746 CB SER A 815 -8.457 7.802 -9.828 1.00 20.52 C ATOM 747 OG SER A 815 -9.020 6.553 -9.477 1.00 31.72 O ATOM 748 HG SER A 815 -8.546 5.831 -9.961 1.00 0.00 H ATOM 749 H SER A 815 -7.850 10.234 -10.226 1.00 0.00 H ATOM 750 N TRP A 816 -7.840 9.161 -7.005 1.00 15.23 N ATOM 751 CA TRP A 816 -7.614 9.077 -5.555 1.00 15.03 C ATOM 752 C TRP A 816 -8.592 9.981 -4.776 1.00 17.87 C ATOM 753 O TRP A 816 -9.193 9.515 -3.810 1.00 15.13 O ATOM 754 CB TRP A 816 -6.165 9.401 -5.160 1.00 14.21 C ATOM 755 CG TRP A 816 -5.936 9.321 -3.667 1.00 15.72 C ATOM 756 CD1 TRP A 816 -5.906 10.365 -2.787 1.00 19.04 C ATOM 757 CD2 TRP A 816 -5.917 8.123 -2.869 1.00 15.72 C ATOM 758 NE1 TRP A 816 -5.791 9.891 -1.494 1.00 19.18 N ATOM 759 CE2 TRP A 816 -5.805 8.520 -1.516 1.00 19.83 C ATOM 760 CE3 TRP A 816 -5.958 6.748 -3.170 1.00 17.10 C ATOM 761 CZ2 TRP A 816 -5.723 7.592 -0.464 1.00 19.80 C ATOM 762 CZ3 TRP A 816 -5.840 5.829 -2.129 1.00 19.02 C ATOM 763 CH2 TRP A 816 -5.749 6.255 -0.794 1.00 19.75 C ATOM 764 HE1 TRP A 816 -5.707 10.480 -0.641 1.00 0.00 H ATOM 765 H TRP A 816 -7.078 9.515 -7.617 1.00 0.00 H ATOM 766 N ARG A 817 -8.742 11.258 -5.190 1.00 14.04 N ATOM 767 CA ARG A 817 -9.655 12.169 -4.499 1.00 14.34 C ATOM 768 C ARG A 817 -11.093 11.666 -4.568 1.00 16.94 C ATOM 769 O ARG A 817 -11.812 11.772 -3.570 1.00 15.44 O ATOM 770 CB ARG A 817 -9.584 13.591 -5.039 1.00 14.23 C ATOM 771 CG ARG A 817 -8.220 14.265 -4.818 1.00 11.16 C ATOM 772 CD ARG A 817 -8.249 15.731 -5.215 1.00 16.56 C ATOM 773 NE ARG A 817 -8.593 15.986 -6.621 1.00 15.07 N ATOM 774 CZ ARG A 817 -7.734 15.954 -7.635 1.00 21.20 C ATOM 775 NH1 ARG A 817 -6.483 15.563 -7.440 1.00 12.97 N ATOM 776 NH2 ARG A 817 -8.133 16.272 -8.862 1.00 15.27 N ATOM 777 HE ARG A 817 -9.585 16.209 -6.839 1.00 0.00 H ATOM 778 HH12 ARG A 817 -5.815 15.540 -8.237 1.00 0.00 H ATOM 779 HH11 ARG A 817 -6.169 15.279 -6.490 1.00 0.00 H ATOM 780 HH22 ARG A 817 -7.457 16.245 -9.652 1.00 0.00 H ATOM 781 HH21 ARG A 817 -9.121 16.548 -9.032 1.00 0.00 H ATOM 782 H ARG A 817 -8.201 11.598 -6.011 1.00 0.00 H ATOM 783 N SER A 818 -11.498 11.109 -5.729 1.00 14.38 N ATOM 784 CA SER A 818 -12.853 10.584 -5.953 1.00 15.24 C ATOM 785 C SER A 818 -13.138 9.420 -5.018 1.00 18.97 C ATOM 786 O SER A 818 -14.189 9.367 -4.375 1.00 18.58 O ATOM 787 CB SER A 818 -13.038 10.191 -7.420 1.00 14.99 C ATOM 788 OG SER A 818 -12.816 11.328 -8.243 1.00 15.64 O ATOM 789 HG SER A 818 -11.894 11.661 -8.102 1.00 0.00 H ATOM 790 H SER A 818 -10.813 11.048 -6.509 1.00 0.00 H ATOM 791 N TYR A 819 -12.136 8.565 -4.847 1.00 15.86 N ATOM 792 CA TYR A 819 -12.183 7.409 -3.968 1.00 15.82 C ATOM 793 C TYR A 819 -12.198 7.833 -2.498 1.00 18.92 C ATOM 794 O TYR A 819 -13.078 7.399 -1.761 1.00 18.34 O ATOM 795 CB TYR A 819 -10.979 6.503 -4.293 1.00 16.39 C ATOM 796 CG TYR A 819 -10.660 5.427 -3.280 1.00 18.27 C ATOM 797 CD1 TYR A 819 -11.583 4.429 -2.981 1.00 20.56 C ATOM 798 CD2 TYR A 819 -9.382 5.318 -2.735 1.00 19.66 C ATOM 799 CE1 TYR A 819 -11.258 3.371 -2.131 1.00 22.09 C ATOM 800 CE2 TYR A 819 -9.038 4.257 -1.902 1.00 21.72 C ATOM 801 CZ TYR A 819 -9.984 3.292 -1.593 1.00 27.22 C ATOM 802 OH TYR A 819 -9.639 2.253 -0.770 1.00 31.34 O ATOM 803 HH TYR A 819 -8.893 1.745 -1.177 1.00 0.00 H ATOM 804 H TYR A 819 -11.258 8.734 -5.378 1.00 0.00 H ATOM 805 N LYS A 820 -11.234 8.657 -2.072 1.00 16.49 N ATOM 806 CA LYS A 820 -11.111 9.085 -0.673 1.00 17.42 C ATOM 807 C LYS A 820 -12.308 9.896 -0.167 1.00 22.15 C ATOM 808 O LYS A 820 -12.829 9.622 0.917 1.00 21.13 O ATOM 809 CB LYS A 820 -9.806 9.865 -0.454 1.00 19.34 C ATOM 810 CG LYS A 820 -9.481 10.121 1.021 1.00 30.59 C ATOM 811 CD LYS A 820 -8.546 11.304 1.209 1.00 43.38 C ATOM 812 CE LYS A 820 -8.201 11.522 2.665 1.00 55.35 C ATOM 813 NZ LYS A 820 -7.315 12.702 2.855 1.00 66.20 N ATOM 814 HZ1 LYS A 820 -6.430 12.558 2.328 1.00 0.00 H ATOM 815 HZ2 LYS A 820 -7.795 13.555 2.502 1.00 0.00 H ATOM 816 HZ3 LYS A 820 -7.103 12.815 3.867 1.00 0.00 H ATOM 817 H LYS A 820 -10.541 9.010 -2.762 1.00 0.00 H ATOM 818 N HIS A 821 -12.738 10.887 -0.954 1.00 19.20 N ATOM 819 CA HIS A 821 -13.781 11.808 -0.521 1.00 20.63 C ATOM 820 C HIS A 821 -15.219 11.422 -0.857 1.00 24.11 C ATOM 821 O HIS A 821 -16.121 11.943 -0.201 1.00 25.98 O ATOM 822 CB HIS A 821 -13.486 13.204 -1.052 1.00 21.60 C ATOM 823 CG HIS A 821 -12.155 13.725 -0.616 1.00 25.88 C ATOM 824 ND1 HIS A 821 -11.914 14.069 0.705 1.00 29.06 N ATOM 825 CD2 HIS A 821 -11.020 13.895 -1.327 1.00 27.27 C ATOM 826 CE1 HIS A 821 -10.637 14.433 0.749 1.00 28.46 C ATOM 827 NE2 HIS A 821 -10.065 14.356 -0.451 1.00 27.55 N ATOM 828 H HIS A 821 -12.318 11.004 -1.898 1.00 0.00 H ATOM 829 N THR A 822 -15.470 10.565 -1.864 1.00 18.79 N ATOM 830 CA THR A 822 -16.866 10.218 -2.218 1.00 19.39 C ATOM 831 C THR A 822 -17.103 8.701 -2.343 1.00 23.39 C ATOM 832 O THR A 822 -18.177 8.300 -2.776 1.00 23.51 O ATOM 833 CB THR A 822 -17.295 10.934 -3.548 1.00 24.84 C ATOM 834 OG1 THR A 822 -16.706 10.253 -4.664 1.00 19.57 O ATOM 835 CG2 THR A 822 -16.902 12.435 -3.604 1.00 21.13 C ATOM 836 HG1 THR A 822 -15.720 10.274 -4.579 1.00 0.00 H ATOM 837 H THR A 822 -14.681 10.145 -2.396 1.00 0.00 H ATOM 838 N ASN A 823 -16.094 7.860 -2.010 1.00 20.31 N ATOM 839 CA ASN A 823 -16.128 6.404 -2.218 1.00 20.36 C ATOM 840 C ASN A 823 -16.367 6.094 -3.715 1.00 22.34 C ATOM 841 O ASN A 823 -17.096 5.162 -4.080 1.00 21.94 O ATOM 842 CB ASN A 823 -17.120 5.676 -1.293 1.00 22.14 C ATOM 843 CG ASN A 823 -16.806 4.207 -1.206 1.00 35.37 C ATOM 844 OD1 ASN A 823 -17.655 3.346 -1.440 1.00 33.53 O ATOM 845 ND2 ASN A 823 -15.548 3.891 -0.985 1.00 22.16 N ATOM 846 HD22 ASN A 823 -14.851 4.638 -0.790 1.00 0.00 H ATOM 847 HD21 ASN A 823 -15.251 2.895 -1.006 1.00 0.00 H ATOM 848 H ASN A 823 -15.241 8.270 -1.580 1.00 0.00 H ATOM 849 N SER A 824 -15.764 6.943 -4.579 1.00 19.47 N ATOM 850 CA SER A 824 -15.816 6.842 -6.037 1.00 18.87 C ATOM 851 C SER A 824 -17.227 6.947 -6.612 1.00 23.50 C ATOM 852 O SER A 824 -17.487 6.390 -7.675 1.00 25.11 O ATOM 853 CB SER A 824 -15.109 5.575 -6.521 1.00 19.73 C ATOM 854 OG SER A 824 -13.754 5.601 -6.111 1.00 20.56 O ATOM 855 HG SER A 824 -13.299 4.780 -6.426 1.00 0.00 H ATOM 856 H SER A 824 -15.220 7.731 -4.173 1.00 0.00 H ATOM 857 N GLN A 825 -18.134 7.642 -5.913 1.00 19.63 N ATOM 858 CA GLN A 825 -19.495 7.869 -6.402 1.00 20.45 C ATOM 859 C GLN A 825 -19.480 9.028 -7.408 1.00 24.13 C ATOM 860 O GLN A 825 -20.276 9.037 -8.350 1.00 24.73 O ATOM 861 CB GLN A 825 -20.436 8.224 -5.245 1.00 22.67 C ATOM 862 CG GLN A 825 -20.849 7.022 -4.401 1.00 39.06 C ATOM 863 CD GLN A 825 -21.651 7.429 -3.188 1.00 68.54 C ATOM 864 OE1 GLN A 825 -22.480 8.351 -3.229 1.00 63.68 O ATOM 865 NE2 GLN A 825 -21.437 6.724 -2.082 1.00 64.74 N ATOM 866 HE22 GLN A 825 -20.734 5.957 -2.082 1.00 0.00 H ATOM 867 HE21 GLN A 825 -21.972 6.939 -1.217 1.00 0.00 H ATOM 868 H GLN A 825 -17.861 8.035 -4.989 1.00 0.00 H ATOM 869 N PHE A 826 -18.587 10.012 -7.187 1.00 19.43 N ATOM 870 CA PHE A 826 -18.457 11.205 -8.016 1.00 18.50 C ATOM 871 C PHE A 826 -17.010 11.479 -8.388 1.00 20.38 C ATOM 872 O PHE A 826 -16.101 10.955 -7.737 1.00 20.82 O ATOM 873 CB PHE A 826 -19.013 12.438 -7.273 1.00 20.66 C ATOM 874 CG PHE A 826 -20.457 12.318 -6.840 1.00 23.75 C ATOM 875 CD1 PHE A 826 -21.492 12.508 -7.751 1.00 27.29 C ATOM 876 CD2 PHE A 826 -20.781 12.032 -5.517 1.00 26.88 C ATOM 877 CE1 PHE A 826 -22.835 12.400 -7.347 1.00 29.60 C ATOM 878 CE2 PHE A 826 -22.123 11.932 -5.110 1.00 30.96 C ATOM 879 CZ PHE A 826 -23.137 12.098 -6.034 1.00 29.40 C ATOM 880 H PHE A 826 -17.948 9.915 -6.372 1.00 0.00 H ATOM 881 N LEU A 827 -16.794 12.373 -9.374 1.00 16.22 N ATOM 882 CA LEU A 827 -15.432 12.805 -9.731 1.00 15.31 C ATOM 883 C LEU A 827 -15.110 14.053 -8.914 1.00 17.25 C ATOM 884 O LEU A 827 -15.685 15.124 -9.166 1.00 16.44 O ATOM 885 CB LEU A 827 -15.269 13.063 -11.259 1.00 15.53 C ATOM 886 CG LEU A 827 -15.374 11.803 -12.154 1.00 20.01 C ATOM 887 CD1 LEU A 827 -15.309 12.175 -13.612 1.00 20.33 C ATOM 888 CD2 LEU A 827 -14.224 10.793 -11.843 1.00 21.91 C ATOM 889 H LEU A 827 -17.605 12.765 -9.893 1.00 0.00 H ATOM 890 N TYR A 828 -14.210 13.896 -7.905 1.00 14.25 N ATOM 891 CA TYR A 828 -13.815 14.981 -6.984 1.00 13.56 C ATOM 892 C TYR A 828 -12.633 15.755 -7.574 1.00 16.46 C ATOM 893 O TYR A 828 -11.475 15.504 -7.221 1.00 14.77 O ATOM 894 CB TYR A 828 -13.474 14.382 -5.589 1.00 13.52 C ATOM 895 CG TYR A 828 -13.429 15.366 -4.439 1.00 13.40 C ATOM 896 CD1 TYR A 828 -12.284 16.127 -4.186 1.00 15.54 C ATOM 897 CD2 TYR A 828 -14.485 15.454 -3.531 1.00 14.28 C ATOM 898 CE1 TYR A 828 -12.225 17.008 -3.103 1.00 16.36 C ATOM 899 CE2 TYR A 828 -14.438 16.334 -2.444 1.00 15.04 C ATOM 900 CZ TYR A 828 -13.293 17.088 -2.222 1.00 18.69 C ATOM 901 OH TYR A 828 -13.214 17.922 -1.129 1.00 20.02 O ATOM 902 HH TYR A 828 -12.336 18.379 -1.127 1.00 0.00 H ATOM 903 H TYR A 828 -13.776 12.960 -7.775 1.00 0.00 H ATOM 904 N PHE A 829 -12.926 16.684 -8.504 1.00 14.94 N ATOM 905 CA PHE A 829 -11.881 17.488 -9.134 1.00 13.97 C ATOM 906 C PHE A 829 -11.239 18.374 -8.075 1.00 15.95 C ATOM 907 O PHE A 829 -10.018 18.428 -7.994 1.00 15.13 O ATOM 908 CB PHE A 829 -12.440 18.311 -10.310 1.00 15.64 C ATOM 909 CG PHE A 829 -12.703 17.470 -11.541 1.00 15.83 C ATOM 910 CD1 PHE A 829 -11.712 17.280 -12.500 1.00 16.31 C ATOM 911 CD2 PHE A 829 -13.950 16.889 -11.757 1.00 17.00 C ATOM 912 CE1 PHE A 829 -11.960 16.507 -13.643 1.00 16.25 C ATOM 913 CE2 PHE A 829 -14.181 16.083 -12.883 1.00 18.15 C ATOM 914 CZ PHE A 829 -13.190 15.910 -13.822 1.00 16.26 C ATOM 915 H PHE A 829 -13.918 16.832 -8.780 1.00 0.00 H ATOM 916 N ALA A 830 -12.057 18.979 -7.203 1.00 13.54 N ATOM 917 CA ALA A 830 -11.589 19.868 -6.151 1.00 14.40 C ATOM 918 C ALA A 830 -12.706 20.010 -5.104 1.00 19.14 C ATOM 919 O ALA A 830 -13.855 19.673 -5.426 1.00 17.25 O ATOM 920 CB ALA A 830 -11.230 21.235 -6.761 1.00 15.12 C ATOM 921 H ALA A 830 -13.079 18.804 -7.282 1.00 0.00 H ATOM 922 N PRO A 831 -12.436 20.499 -3.855 1.00 17.43 N ATOM 923 CA PRO A 831 -13.541 20.653 -2.882 1.00 17.33 C ATOM 924 C PRO A 831 -14.719 21.457 -3.437 1.00 19.33 C ATOM 925 O PRO A 831 -15.863 21.157 -3.122 1.00 18.88 O ATOM 926 CB PRO A 831 -12.884 21.394 -1.712 1.00 19.88 C ATOM 927 CG PRO A 831 -11.434 21.075 -1.822 1.00 23.47 C ATOM 928 CD PRO A 831 -11.143 20.962 -3.286 1.00 18.21 C ATOM 929 N ASP A 832 -14.423 22.450 -4.295 1.00 17.43 N ATOM 930 CA ASP A 832 -15.386 23.377 -4.902 1.00 17.89 C ATOM 931 C ASP A 832 -15.850 22.922 -6.305 1.00 21.67 C ATOM 932 O ASP A 832 -16.591 23.655 -6.976 1.00 22.08 O ATOM 933 CB ASP A 832 -14.797 24.815 -4.932 1.00 18.99 C ATOM 934 CG ASP A 832 -13.492 25.000 -5.703 1.00 21.52 C ATOM 935 OD1 ASP A 832 -12.724 24.028 -5.822 1.00 20.03 O ATOM 936 OD2 ASP A 832 -13.252 26.111 -6.206 1.00 24.83 O ATOM 937 H ASP A 832 -13.422 22.572 -4.551 1.00 0.00 H ATOM 938 N LEU A 833 -15.442 21.706 -6.737 1.00 17.45 N ATOM 939 CA LEU A 833 -15.833 21.197 -8.053 1.00 17.87 C ATOM 940 C LEU A 833 -15.909 19.680 -8.060 1.00 18.06 C ATOM 941 O LEU A 833 -14.893 18.982 -8.218 1.00 17.19 O ATOM 942 CB LEU A 833 -14.911 21.745 -9.167 1.00 18.11 C ATOM 943 CG LEU A 833 -15.280 21.370 -10.628 1.00 22.30 C ATOM 944 CD1 LEU A 833 -16.708 21.852 -11.014 1.00 22.03 C ATOM 945 CD2 LEU A 833 -14.252 21.947 -11.599 1.00 21.83 C ATOM 946 H LEU A 833 -14.839 21.122 -6.123 1.00 0.00 H ATOM 947 N VAL A 834 -17.116 19.181 -7.832 1.00 14.59 N ATOM 948 CA VAL A 834 -17.420 17.743 -7.753 1.00 15.54 C ATOM 949 C VAL A 834 -18.433 17.448 -8.863 1.00 21.23 C ATOM 950 O VAL A 834 -19.515 18.034 -8.882 1.00 21.96 O ATOM 951 CB VAL A 834 -17.941 17.343 -6.341 1.00 19.58 C ATOM 952 CG1 VAL A 834 -18.219 15.839 -6.246 1.00 19.10 C ATOM 953 CG2 VAL A 834 -16.975 17.794 -5.243 1.00 18.41 C ATOM 954 H VAL A 834 -17.901 19.851 -7.700 1.00 0.00 H ATOM 955 N PHE A 835 -18.053 16.622 -9.826 1.00 18.14 N ATOM 956 CA PHE A 835 -18.944 16.347 -10.958 1.00 17.41 C ATOM 957 C PHE A 835 -20.026 15.322 -10.664 1.00 21.40 C ATOM 958 O PHE A 835 -19.761 14.221 -10.166 1.00 20.36 O ATOM 959 CB PHE A 835 -18.152 15.867 -12.170 1.00 17.79 C ATOM 960 CG PHE A 835 -17.537 16.877 -13.119 1.00 18.09 C ATOM 961 CD1 PHE A 835 -17.098 18.114 -12.661 1.00 19.97 C ATOM 962 CD2 PHE A 835 -17.337 16.559 -14.459 1.00 19.29 C ATOM 963 CE1 PHE A 835 -16.495 19.030 -13.535 1.00 20.88 C ATOM 964 CE2 PHE A 835 -16.717 17.469 -15.333 1.00 21.50 C ATOM 965 CZ PHE A 835 -16.311 18.703 -14.869 1.00 20.04 C ATOM 966 H PHE A 835 -17.119 16.167 -9.779 1.00 0.00 H ATOM 967 N ASN A 836 -21.238 15.682 -11.036 1.00 21.31 N ATOM 968 CA ASN A 836 -22.411 14.798 -11.023 1.00 21.29 C ATOM 969 C ASN A 836 -22.619 14.451 -12.502 1.00 22.26 C ATOM 970 O ASN A 836 -21.805 14.878 -13.316 1.00 18.27 O ATOM 971 CB ASN A 836 -23.622 15.542 -10.436 1.00 22.98 C ATOM 972 CG ASN A 836 -23.937 16.905 -11.012 1.00 36.95 C ATOM 973 OD1 ASN A 836 -23.280 17.419 -11.932 1.00 23.93 O ATOM 974 ND2 ASN A 836 -24.963 17.534 -10.454 1.00 27.86 N ATOM 975 HD22 ASN A 836 -25.496 17.080 -9.685 1.00 0.00 H ATOM 976 HD21 ASN A 836 -25.235 18.482 -10.786 1.00 0.00 H ATOM 977 H ASN A 836 -21.373 16.660 -11.362 1.00 0.00 H ATOM 978 N GLU A 837 -23.717 13.748 -12.875 1.00 20.93 N ATOM 979 CA GLU A 837 -24.026 13.444 -14.283 1.00 19.94 C ATOM 980 C GLU A 837 -24.121 14.710 -15.128 1.00 23.09 C ATOM 981 O GLU A 837 -23.644 14.718 -16.260 1.00 20.31 O ATOM 982 CB GLU A 837 -25.371 12.701 -14.395 1.00 21.92 C ATOM 983 CG GLU A 837 -25.312 11.263 -13.924 1.00 28.72 C ATOM 984 CD GLU A 837 -24.491 10.323 -14.782 1.00 42.46 C ATOM 985 OE1 GLU A 837 -24.556 10.435 -16.027 1.00 27.32 O ATOM 986 OE2 GLU A 837 -23.794 9.460 -14.206 1.00 43.20 O ATOM 987 H GLU A 837 -24.367 13.410 -12.137 1.00 0.00 H ATOM 988 N GLU A 838 -24.766 15.763 -14.580 1.00 21.44 N ATOM 989 CA GLU A 838 -24.972 17.051 -15.239 1.00 20.61 C ATOM 990 C GLU A 838 -23.643 17.634 -15.734 1.00 21.43 C ATOM 991 O GLU A 838 -23.504 17.915 -16.921 1.00 20.03 O ATOM 992 CB GLU A 838 -25.704 18.022 -14.288 1.00 22.41 C ATOM 993 CG GLU A 838 -25.948 19.425 -14.840 1.00 29.96 C ATOM 994 CD GLU A 838 -26.835 19.531 -16.064 1.00 43.64 C ATOM 995 OE1 GLU A 838 -26.805 20.587 -16.731 1.00 38.56 O ATOM 996 OE2 GLU A 838 -27.556 18.557 -16.368 1.00 37.26 O ATOM 997 H GLU A 838 -25.144 15.649 -13.618 1.00 0.00 H ATOM 998 N LYS A 839 -22.669 17.755 -14.835 1.00 18.78 N ATOM 999 CA LYS A 839 -21.356 18.320 -15.155 1.00 18.75 C ATOM 1000 C LYS A 839 -20.563 17.469 -16.134 1.00 21.36 C ATOM 1001 O LYS A 839 -19.926 18.037 -17.017 1.00 20.74 O ATOM 1002 CB LYS A 839 -20.565 18.637 -13.887 1.00 20.20 C ATOM 1003 CG LYS A 839 -21.098 19.911 -13.228 1.00 27.01 C ATOM 1004 CD LYS A 839 -20.279 20.328 -12.025 1.00 32.09 C ATOM 1005 CE LYS A 839 -20.633 21.730 -11.575 1.00 33.53 C ATOM 1006 NZ LYS A 839 -22.010 21.815 -11.034 1.00 34.03 N ATOM 1007 HZ1 LYS A 839 -22.688 21.531 -11.769 1.00 0.00 H ATOM 1008 HZ2 LYS A 839 -22.099 21.181 -10.215 1.00 0.00 H ATOM 1009 HZ3 LYS A 839 -22.206 22.793 -10.740 1.00 0.00 H ATOM 1010 H LYS A 839 -22.848 17.434 -13.862 1.00 0.00 H ATOM 1011 N MET A 840 -20.651 16.127 -16.029 1.00 18.30 N ATOM 1012 CA MET A 840 -20.024 15.202 -16.977 1.00 17.62 C ATOM 1013 C MET A 840 -20.522 15.484 -18.411 1.00 21.51 C ATOM 1014 O MET A 840 -19.705 15.559 -19.338 1.00 21.64 O ATOM 1015 CB MET A 840 -20.311 13.749 -16.588 1.00 20.54 C ATOM 1016 CG MET A 840 -19.492 13.291 -15.381 1.00 24.19 C ATOM 1017 SD MET A 840 -20.059 11.694 -14.746 1.00 30.07 S ATOM 1018 CE MET A 840 -19.640 10.662 -16.030 1.00 27.67 C ATOM 1019 H MET A 840 -21.191 15.729 -15.235 1.00 0.00 H ATOM 1020 N HIS A 841 -21.841 15.698 -18.572 1.00 17.96 N ATOM 1021 CA HIS A 841 -22.441 16.040 -19.863 1.00 18.85 C ATOM 1022 C HIS A 841 -22.026 17.436 -20.318 1.00 22.93 C ATOM 1023 O HIS A 841 -21.570 17.588 -21.449 1.00 22.62 O ATOM 1024 CB HIS A 841 -23.978 15.938 -19.816 1.00 20.17 C ATOM 1025 CG HIS A 841 -24.474 14.536 -19.918 1.00 23.56 C ATOM 1026 ND1 HIS A 841 -24.294 13.794 -21.072 1.00 25.56 N ATOM 1027 CD2 HIS A 841 -25.133 13.782 -19.011 1.00 25.43 C ATOM 1028 CE1 HIS A 841 -24.831 12.613 -20.827 1.00 25.09 C ATOM 1029 NE2 HIS A 841 -25.371 12.565 -19.613 1.00 25.66 N ATOM 1030 H HIS A 841 -22.462 15.617 -17.742 1.00 0.00 H ATOM 1031 N GLN A 842 -22.170 18.445 -19.435 1.00 21.32 N ATOM 1032 CA GLN A 842 -21.858 19.855 -19.737 1.00 21.78 C ATOM 1033 C GLN A 842 -20.419 20.073 -20.166 1.00 25.16 C ATOM 1034 O GLN A 842 -20.170 20.921 -21.020 1.00 25.25 O ATOM 1035 CB GLN A 842 -22.183 20.760 -18.546 1.00 23.29 C ATOM 1036 CG GLN A 842 -23.692 20.847 -18.226 1.00 30.66 C ATOM 1037 CD GLN A 842 -23.988 21.685 -17.004 1.00 51.49 C ATOM 1038 OE1 GLN A 842 -23.383 21.524 -15.932 1.00 48.81 O ATOM 1039 NE2 GLN A 842 -24.964 22.583 -17.130 1.00 37.34 N ATOM 1040 HE22 GLN A 842 -25.453 22.695 -18.041 1.00 0.00 H ATOM 1041 HE21 GLN A 842 -25.237 23.172 -16.317 1.00 0.00 H ATOM 1042 H GLN A 842 -22.522 18.215 -18.484 1.00 0.00 H ATOM 1043 N SER A 843 -19.479 19.292 -19.600 1.00 20.72 N ATOM 1044 CA SER A 843 -18.039 19.396 -19.861 1.00 19.27 C ATOM 1045 C SER A 843 -17.661 19.016 -21.301 1.00 23.52 C ATOM 1046 O SER A 843 -16.518 19.263 -21.713 1.00 22.64 O ATOM 1047 CB SER A 843 -17.269 18.476 -18.911 1.00 19.07 C ATOM 1048 OG SER A 843 -17.399 17.120 -19.309 1.00 21.29 O ATOM 1049 HG SER A 843 -18.355 16.864 -19.297 1.00 0.00 H ATOM 1050 H SER A 843 -19.797 18.563 -18.930 1.00 0.00 H ATOM 1051 N ALA A 844 -18.591 18.348 -22.023 1.00 20.39 N ATOM 1052 CA ALA A 844 -18.426 17.775 -23.374 1.00 21.27 C ATOM 1053 C ALA A 844 -17.375 16.647 -23.355 1.00 24.67 C ATOM 1054 O ALA A 844 -16.831 16.289 -24.397 1.00 25.98 O ATOM 1055 CB ALA A 844 -18.073 18.851 -24.406 1.00 22.16 C ATOM 1056 H ALA A 844 -19.523 18.225 -21.578 1.00 0.00 H ATOM 1057 N MET A 845 -17.141 16.055 -22.160 1.00 19.89 N ATOM 1058 CA MET A 845 -16.183 14.965 -21.939 1.00 19.19 C ATOM 1059 C MET A 845 -16.874 13.796 -21.259 1.00 22.23 C ATOM 1060 O MET A 845 -16.225 13.078 -20.504 1.00 20.51 O ATOM 1061 CB MET A 845 -15.022 15.431 -21.022 1.00 20.30 C ATOM 1062 CG MET A 845 -14.208 16.523 -21.570 1.00 22.73 C ATOM 1063 SD MET A 845 -12.727 16.835 -20.581 1.00 23.98 S ATOM 1064 CE MET A 845 -11.867 15.238 -20.686 1.00 19.83 C ATOM 1065 H MET A 845 -17.679 16.398 -21.339 1.00 0.00 H ATOM 1066 N TYR A 846 -18.188 13.605 -21.511 1.00 20.62 N ATOM 1067 CA TYR A 846 -18.981 12.582 -20.834 1.00 20.06 C ATOM 1068 C TYR A 846 -18.314 11.197 -20.811 1.00 22.19 C ATOM 1069 O TYR A 846 -18.103 10.628 -19.727 1.00 20.43 O ATOM 1070 CB TYR A 846 -20.413 12.513 -21.406 1.00 22.68 C ATOM 1071 CG TYR A 846 -21.292 11.608 -20.581 1.00 23.72 C ATOM 1072 CD1 TYR A 846 -21.774 12.018 -19.341 1.00 24.17 C ATOM 1073 CD2 TYR A 846 -21.560 10.302 -20.989 1.00 26.08 C ATOM 1074 CE1 TYR A 846 -22.526 11.166 -18.540 1.00 26.35 C ATOM 1075 CE2 TYR A 846 -22.354 9.453 -20.216 1.00 27.98 C ATOM 1076 CZ TYR A 846 -22.816 9.883 -18.980 1.00 34.18 C ATOM 1077 OH TYR A 846 -23.554 9.053 -18.177 1.00 33.25 O ATOM 1078 HH TYR A 846 -23.792 9.529 -17.343 1.00 0.00 H ATOM 1079 H TYR A 846 -18.654 14.211 -22.216 1.00 0.00 H ATOM 1080 N GLU A 847 -17.976 10.667 -21.992 1.00 20.26 N ATOM 1081 CA GLU A 847 -17.371 9.339 -22.119 1.00 20.18 C ATOM 1082 C GLU A 847 -16.008 9.264 -21.434 1.00 20.92 C ATOM 1083 O GLU A 847 -15.732 8.268 -20.791 1.00 18.53 O ATOM 1084 CB GLU A 847 -17.299 8.883 -23.582 1.00 22.12 C ATOM 1085 CG GLU A 847 -18.656 8.482 -24.136 1.00 40.63 C ATOM 1086 CD GLU A 847 -18.715 8.340 -25.645 1.00 78.42 C ATOM 1087 OE1 GLU A 847 -18.863 9.376 -26.335 1.00 84.36 O ATOM 1088 OE2 GLU A 847 -18.636 7.192 -26.138 1.00 77.19 O ATOM 1089 H GLU A 847 -18.150 11.220 -22.855 1.00 0.00 H ATOM 1090 N LEU A 848 -15.188 10.329 -21.509 1.00 19.16 N ATOM 1091 CA LEU A 848 -13.889 10.345 -20.834 1.00 18.41 C ATOM 1092 C LEU A 848 -14.078 10.367 -19.322 1.00 20.70 C ATOM 1093 O LEU A 848 -13.360 9.668 -18.611 1.00 20.96 O ATOM 1094 CB LEU A 848 -13.030 11.516 -21.322 1.00 18.84 C ATOM 1095 CG LEU A 848 -12.563 11.346 -22.781 1.00 24.98 C ATOM 1096 CD1 LEU A 848 -12.238 12.665 -23.424 1.00 26.31 C ATOM 1097 CD2 LEU A 848 -11.365 10.443 -22.857 1.00 27.76 C ATOM 1098 H LEU A 848 -15.484 11.160 -22.060 1.00 0.00 H ATOM 1099 N CYS A 849 -15.090 11.117 -18.850 1.00 16.64 N ATOM 1100 CA CYS A 849 -15.480 11.178 -17.429 1.00 17.88 C ATOM 1101 C CYS A 849 -15.915 9.783 -16.928 1.00 20.42 C ATOM 1102 O CYS A 849 -15.551 9.419 -15.817 1.00 19.04 O ATOM 1103 CB CYS A 849 -16.565 12.224 -17.190 1.00 18.27 C ATOM 1104 SG CYS A 849 -15.960 13.926 -17.188 1.00 21.75 S ATOM 1105 H CYS A 849 -15.631 11.689 -19.529 1.00 0.00 H ATOM 1106 N GLN A 850 -16.690 9.015 -17.725 1.00 19.05 N ATOM 1107 CA GLN A 850 -17.082 7.655 -17.312 1.00 19.30 C ATOM 1108 C GLN A 850 -15.862 6.712 -17.270 1.00 22.74 C ATOM 1109 O GLN A 850 -15.788 5.864 -16.375 1.00 22.71 O ATOM 1110 CB GLN A 850 -18.248 7.078 -18.138 1.00 21.62 C ATOM 1111 CG GLN A 850 -19.643 7.627 -17.778 1.00 28.12 C ATOM 1112 CD GLN A 850 -20.258 7.191 -16.449 1.00 37.08 C ATOM 1113 OE1 GLN A 850 -19.579 6.894 -15.456 1.00 32.59 O ATOM 1114 NE2 GLN A 850 -21.588 7.244 -16.369 1.00 26.32 N ATOM 1115 HE22 GLN A 850 -22.150 7.494 -17.208 1.00 0.00 H ATOM 1116 HE21 GLN A 850 -22.063 7.035 -15.468 1.00 0.00 H ATOM 1117 H GLN A 850 -17.014 9.388 -18.640 1.00 0.00 H ATOM 1118 N GLY A 851 -14.896 6.924 -18.180 1.00 18.64 N ATOM 1119 CA GLY A 851 -13.638 6.174 -18.214 1.00 18.21 C ATOM 1120 C GLY A 851 -12.819 6.411 -16.956 1.00 22.47 C ATOM 1121 O GLY A 851 -12.274 5.465 -16.369 1.00 21.70 O ATOM 1122 H GLY A 851 -15.050 7.660 -18.899 1.00 0.00 H ATOM 1123 N MET A 852 -12.795 7.683 -16.492 1.00 18.73 N ATOM 1124 CA MET A 852 -12.139 8.105 -15.256 1.00 18.08 C ATOM 1125 C MET A 852 -12.866 7.492 -14.050 1.00 21.96 C ATOM 1126 O MET A 852 -12.213 7.020 -13.112 1.00 20.39 O ATOM 1127 CB MET A 852 -12.114 9.644 -15.150 1.00 19.88 C ATOM 1128 CG MET A 852 -11.324 10.139 -13.962 1.00 24.04 C ATOM 1129 SD MET A 852 -9.528 10.090 -14.212 1.00 27.62 S ATOM 1130 CE MET A 852 -9.095 8.465 -13.471 1.00 24.71 C ATOM 1131 H MET A 852 -13.278 8.412 -17.055 1.00 0.00 H ATOM 1132 N HIS A 853 -14.214 7.514 -14.071 1.00 19.16 N ATOM 1133 CA HIS A 853 -15.031 6.936 -13.008 1.00 20.57 C ATOM 1134 C HIS A 853 -14.727 5.433 -12.884 1.00 25.37 C ATOM 1135 O HIS A 853 -14.629 4.935 -11.763 1.00 23.55 O ATOM 1136 CB HIS A 853 -16.538 7.187 -13.286 1.00 23.39 C ATOM 1137 CG HIS A 853 -17.452 6.726 -12.196 1.00 27.99 C ATOM 1138 ND1 HIS A 853 -18.582 5.979 -12.470 1.00 31.27 N ATOM 1139 CD2 HIS A 853 -17.359 6.897 -10.858 1.00 29.89 C ATOM 1140 CE1 HIS A 853 -19.147 5.739 -11.298 1.00 30.88 C ATOM 1141 NE2 HIS A 853 -18.436 6.258 -10.298 1.00 30.58 N ATOM 1142 H HIS A 853 -14.692 7.962 -14.879 1.00 0.00 H ATOM 1143 N GLN A 854 -14.488 4.732 -14.027 1.00 23.29 N ATOM 1144 CA GLN A 854 -14.147 3.296 -14.028 1.00 23.25 C ATOM 1145 C GLN A 854 -12.850 3.004 -13.267 1.00 24.85 C ATOM 1146 O GLN A 854 -12.789 2.002 -12.557 1.00 23.62 O ATOM 1147 CB GLN A 854 -14.093 2.695 -15.454 1.00 24.72 C ATOM 1148 CG GLN A 854 -15.451 2.305 -16.023 1.00 43.47 C ATOM 1149 CD GLN A 854 -16.222 1.340 -15.143 1.00 66.14 C ATOM 1150 OE1 GLN A 854 -15.772 0.223 -14.839 1.00 63.25 O ATOM 1151 NE2 GLN A 854 -17.404 1.761 -14.711 1.00 55.38 N ATOM 1152 HE22 GLN A 854 -17.752 2.702 -14.984 1.00 0.00 H ATOM 1153 HE21 GLN A 854 -17.982 1.150 -14.100 1.00 0.00 H ATOM 1154 H GLN A 854 -14.548 5.230 -14.938 1.00 0.00 H ATOM 1155 N ILE A 855 -11.826 3.892 -13.382 1.00 20.43 N ATOM 1156 CA ILE A 855 -10.568 3.748 -12.648 1.00 20.20 C ATOM 1157 C ILE A 855 -10.830 3.930 -11.138 1.00 21.93 C ATOM 1158 O ILE A 855 -10.360 3.122 -10.339 1.00 20.59 O ATOM 1159 CB ILE A 855 -9.464 4.736 -13.178 1.00 22.95 C ATOM 1160 CG1 ILE A 855 -9.089 4.439 -14.658 1.00 24.24 C ATOM 1161 CG2 ILE A 855 -8.232 4.786 -12.248 1.00 23.00 C ATOM 1162 CD1 ILE A 855 -8.378 2.998 -14.986 1.00 23.43 C ATOM 1163 H ILE A 855 -11.942 4.707 -14.018 1.00 0.00 H ATOM 1164 N SER A 856 -11.603 4.969 -10.751 1.00 17.58 N ATOM 1165 CA SER A 856 -11.886 5.206 -9.340 1.00 17.51 C ATOM 1166 C SER A 856 -12.650 4.011 -8.714 1.00 21.69 C ATOM 1167 O SER A 856 -12.430 3.663 -7.555 1.00 20.71 O ATOM 1168 CB SER A 856 -12.602 6.539 -9.139 1.00 23.18 C ATOM 1169 OG SER A 856 -13.938 6.452 -9.601 1.00 30.32 O ATOM 1170 HG SER A 856 -14.390 7.322 -9.465 1.00 0.00 H ATOM 1171 H SER A 856 -12.001 5.608 -11.469 1.00 0.00 H ATOM 1172 N LEU A 857 -13.486 3.342 -9.524 1.00 19.27 N ATOM 1173 CA LEU A 857 -14.236 2.168 -9.102 1.00 20.50 C ATOM 1174 C LEU A 857 -13.280 0.989 -8.861 1.00 23.22 C ATOM 1175 O LEU A 857 -13.514 0.209 -7.941 1.00 23.48 O ATOM 1176 CB LEU A 857 -15.367 1.855 -10.094 1.00 21.45 C ATOM 1177 CG LEU A 857 -16.603 2.778 -10.004 1.00 26.67 C ATOM 1178 CD1 LEU A 857 -17.626 2.452 -11.117 1.00 28.11 C ATOM 1179 CD2 LEU A 857 -17.291 2.669 -8.625 1.00 28.92 C ATOM 1180 H LEU A 857 -13.603 3.679 -10.501 1.00 0.00 H ATOM 1181 N GLN A 858 -12.138 0.947 -9.581 1.00 18.81 N ATOM 1182 CA GLN A 858 -11.105 -0.083 -9.353 1.00 20.08 C ATOM 1183 C GLN A 858 -10.402 0.142 -8.002 1.00 21.68 C ATOM 1184 O GLN A 858 -10.020 -0.825 -7.346 1.00 21.73 O ATOM 1185 CB GLN A 858 -10.073 -0.114 -10.502 1.00 21.33 C ATOM 1186 CG GLN A 858 -10.574 -0.796 -11.760 1.00 33.66 C ATOM 1187 CD GLN A 858 -10.854 -2.261 -11.515 1.00 58.75 C ATOM 1188 OE1 GLN A 858 -10.059 -2.985 -10.901 1.00 54.28 O ATOM 1189 NE2 GLN A 858 -12.013 -2.715 -11.951 1.00 58.61 N ATOM 1190 HE22 GLN A 858 -12.660 -2.082 -12.464 1.00 0.00 H ATOM 1191 HE21 GLN A 858 -12.280 -3.706 -11.782 1.00 0.00 H ATOM 1192 H GLN A 858 -11.981 1.663 -10.319 1.00 0.00 H ATOM 1193 N PHE A 859 -10.284 1.416 -7.568 1.00 17.73 N ATOM 1194 CA PHE A 859 -9.676 1.757 -6.278 1.00 15.87 C ATOM 1195 C PHE A 859 -10.529 1.169 -5.154 1.00 20.17 C ATOM 1196 O PHE A 859 -9.984 0.671 -4.172 1.00 20.15 O ATOM 1197 CB PHE A 859 -9.552 3.277 -6.102 1.00 15.92 C ATOM 1198 CG PHE A 859 -8.397 3.947 -6.818 1.00 15.28 C ATOM 1199 CD1 PHE A 859 -7.875 3.413 -8.002 1.00 17.24 C ATOM 1200 CD2 PHE A 859 -7.866 5.134 -6.341 1.00 15.61 C ATOM 1201 CE1 PHE A 859 -6.827 4.047 -8.671 1.00 18.33 C ATOM 1202 CE2 PHE A 859 -6.832 5.775 -7.016 1.00 18.00 C ATOM 1203 CZ PHE A 859 -6.309 5.219 -8.169 1.00 16.98 C ATOM 1204 H PHE A 859 -10.638 2.185 -8.172 1.00 0.00 H ATOM 1205 N VAL A 860 -11.865 1.248 -5.292 1.00 18.03 N ATOM 1206 CA VAL A 860 -12.811 0.678 -4.317 1.00 19.13 C ATOM 1207 C VAL A 860 -12.688 -0.861 -4.303 1.00 23.56 C ATOM 1208 O VAL A 860 -12.550 -1.460 -3.232 1.00 24.76 O ATOM 1209 CB VAL A 860 -14.278 1.141 -4.587 1.00 22.44 C ATOM 1210 CG1 VAL A 860 -15.275 0.406 -3.676 1.00 22.60 C ATOM 1211 CG2 VAL A 860 -14.400 2.642 -4.387 1.00 21.59 C ATOM 1212 H VAL A 860 -12.248 1.735 -6.127 1.00 0.00 H ATOM 1213 N ARG A 861 -12.741 -1.485 -5.479 1.00 21.76 N ATOM 1214 CA ARG A 861 -12.634 -2.942 -5.637 1.00 23.20 C ATOM 1215 C ARG A 861 -11.374 -3.494 -4.963 1.00 25.92 C ATOM 1216 O ARG A 861 -11.466 -4.441 -4.182 1.00 26.02 O ATOM 1217 CB ARG A 861 -12.673 -3.335 -7.127 1.00 22.97 C ATOM 1218 CG ARG A 861 -12.681 -4.841 -7.360 1.00 35.56 C ATOM 1219 CD ARG A 861 -12.739 -5.202 -8.838 1.00 46.06 C ATOM 1220 NE ARG A 861 -11.451 -4.987 -9.505 1.00 61.37 N ATOM 1221 CZ ARG A 861 -10.487 -5.899 -9.597 1.00 76.14 C ATOM 1222 NH1 ARG A 861 -9.352 -5.613 -10.221 1.00 63.60 N ATOM 1223 NH2 ARG A 861 -10.649 -7.103 -9.063 1.00 64.94 N ATOM 1224 HE ARG A 861 -11.279 -4.056 -9.936 1.00 0.00 H ATOM 1225 HH12 ARG A 861 -8.602 -6.330 -10.290 1.00 0.00 H ATOM 1226 HH11 ARG A 861 -9.212 -4.672 -10.641 1.00 0.00 H ATOM 1227 HH22 ARG A 861 -9.891 -7.812 -9.138 1.00 0.00 H ATOM 1228 HH21 ARG A 861 -11.534 -7.338 -8.569 1.00 0.00 H ATOM 1229 H ARG A 861 -12.865 -0.907 -6.335 1.00 0.00 H ATOM 1230 N LEU A 862 -10.225 -2.855 -5.211 1.00 21.54 N ATOM 1231 CA LEU A 862 -8.937 -3.264 -4.663 1.00 21.45 C ATOM 1232 C LEU A 862 -8.698 -2.786 -3.230 1.00 25.10 C ATOM 1233 O LEU A 862 -7.785 -3.281 -2.569 1.00 24.92 O ATOM 1234 CB LEU A 862 -7.806 -2.752 -5.578 1.00 20.38 C ATOM 1235 CG LEU A 862 -7.764 -3.378 -6.960 1.00 25.31 C ATOM 1236 CD1 LEU A 862 -6.889 -2.589 -7.896 1.00 26.10 C ATOM 1237 CD2 LEU A 862 -7.352 -4.834 -6.886 1.00 29.07 C ATOM 1238 H LEU A 862 -10.252 -2.019 -5.830 1.00 0.00 H ATOM 1239 N GLN A 863 -9.489 -1.799 -2.771 1.00 20.95 N ATOM 1240 CA GLN A 863 -9.343 -1.159 -1.454 1.00 20.24 C ATOM 1241 C GLN A 863 -7.914 -0.564 -1.387 1.00 21.15 C ATOM 1242 O GLN A 863 -7.136 -0.831 -0.469 1.00 21.34 O ATOM 1243 CB GLN A 863 -9.663 -2.149 -0.305 1.00 22.61 C ATOM 1244 CG GLN A 863 -11.170 -2.394 -0.095 1.00 30.59 C ATOM 1245 CD GLN A 863 -11.914 -1.136 0.312 1.00 44.98 C ATOM 1246 OE1 GLN A 863 -11.815 -0.669 1.451 1.00 38.94 O ATOM 1247 NE2 GLN A 863 -12.641 -0.531 -0.624 1.00 35.66 N ATOM 1248 HE22 GLN A 863 -12.710 -0.943 -1.576 1.00 0.00 H ATOM 1249 HE21 GLN A 863 -13.141 0.354 -0.403 1.00 0.00 H ATOM 1250 H GLN A 863 -10.256 -1.466 -3.389 1.00 0.00 H ATOM 1251 N LEU A 864 -7.555 0.167 -2.436 1.00 19.43 N ATOM 1252 CA LEU A 864 -6.230 0.778 -2.568 1.00 19.15 C ATOM 1253 C LEU A 864 -5.852 1.565 -1.322 1.00 22.32 C ATOM 1254 O LEU A 864 -6.677 2.299 -0.772 1.00 21.73 O ATOM 1255 CB LEU A 864 -6.146 1.664 -3.812 1.00 18.23 C ATOM 1256 CG LEU A 864 -4.704 2.074 -4.258 1.00 20.39 C ATOM 1257 CD1 LEU A 864 -3.959 0.889 -4.857 1.00 20.35 C ATOM 1258 CD2 LEU A 864 -4.770 3.199 -5.271 1.00 21.17 C ATOM 1259 H LEU A 864 -8.246 0.312 -3.199 1.00 0.00 H ATOM 1260 N THR A 865 -4.621 1.377 -0.854 1.00 18.75 N ATOM 1261 CA THR A 865 -4.183 2.091 0.350 1.00 19.34 C ATOM 1262 C THR A 865 -3.418 3.346 -0.050 1.00 20.60 C ATOM 1263 O THR A 865 -2.923 3.441 -1.181 1.00 16.91 O ATOM 1264 CB THR A 865 -3.320 1.194 1.261 1.00 21.57 C ATOM 1265 OG1 THR A 865 -2.036 0.995 0.659 1.00 18.82 O ATOM 1266 CG2 THR A 865 -3.990 -0.132 1.627 1.00 25.08 C ATOM 1267 HG1 THR A 865 -1.484 0.419 1.245 1.00 0.00 H ATOM 1268 H THR A 865 -3.972 0.726 -1.340 1.00 0.00 H ATOM 1269 N PHE A 866 -3.280 4.300 0.881 1.00 19.09 N ATOM 1270 CA PHE A 866 -2.531 5.522 0.579 1.00 18.93 C ATOM 1271 C PHE A 866 -1.056 5.223 0.269 1.00 20.20 C ATOM 1272 O PHE A 866 -0.467 5.854 -0.610 1.00 17.37 O ATOM 1273 CB PHE A 866 -2.681 6.526 1.730 1.00 21.84 C ATOM 1274 CG PHE A 866 -2.046 7.868 1.460 1.00 23.51 C ATOM 1275 CD1 PHE A 866 -2.469 8.656 0.397 1.00 25.57 C ATOM 1276 CD2 PHE A 866 -1.056 8.363 2.296 1.00 27.50 C ATOM 1277 CE1 PHE A 866 -1.895 9.910 0.160 1.00 27.21 C ATOM 1278 CE2 PHE A 866 -0.500 9.627 2.069 1.00 29.49 C ATOM 1279 CZ PHE A 866 -0.916 10.382 0.997 1.00 26.80 C ATOM 1280 H PHE A 866 -3.706 4.172 1.821 1.00 0.00 H ATOM 1281 N GLU A 867 -0.480 4.239 0.976 1.00 18.01 N ATOM 1282 CA GLU A 867 0.915 3.819 0.794 1.00 19.05 C ATOM 1283 C GLU A 867 1.111 3.297 -0.639 1.00 22.31 C ATOM 1284 O GLU A 867 2.007 3.755 -1.365 1.00 20.00 O ATOM 1285 CB GLU A 867 1.282 2.742 1.843 1.00 21.91 C ATOM 1286 CG GLU A 867 1.218 3.232 3.292 1.00 34.87 C ATOM 1287 CD GLU A 867 -0.100 3.217 4.068 1.00 57.40 C ATOM 1288 OE1 GLU A 867 -1.193 3.073 3.465 1.00 32.62 O ATOM 1289 OE2 GLU A 867 -0.029 3.399 5.304 1.00 53.79 O ATOM 1290 H GLU A 867 -1.052 3.747 1.692 1.00 0.00 H ATOM 1291 N GLU A 868 0.204 2.412 -1.088 1.00 18.31 N ATOM 1292 CA GLU A 868 0.233 1.884 -2.463 1.00 15.74 C ATOM 1293 C GLU A 868 0.075 3.002 -3.482 1.00 17.16 C ATOM 1294 O GLU A 868 0.834 3.073 -4.441 1.00 16.77 O ATOM 1295 CB GLU A 868 -0.886 0.863 -2.657 1.00 16.42 C ATOM 1296 CG GLU A 868 -0.585 -0.428 -1.929 1.00 16.40 C ATOM 1297 CD GLU A 868 -1.765 -1.366 -1.774 1.00 28.36 C ATOM 1298 OE1 GLU A 868 -1.516 -2.560 -1.483 1.00 22.62 O ATOM 1299 OE2 GLU A 868 -2.929 -0.920 -1.933 1.00 19.46 O ATOM 1300 H GLU A 868 -0.544 2.089 -0.442 1.00 0.00 H ATOM 1301 N TYR A 869 -0.916 3.865 -3.270 1.00 15.15 N ATOM 1302 CA TYR A 869 -1.202 5.020 -4.113 1.00 13.76 C ATOM 1303 C TYR A 869 0.061 5.895 -4.353 1.00 15.96 C ATOM 1304 O TYR A 869 0.369 6.205 -5.496 1.00 14.77 O ATOM 1305 CB TYR A 869 -2.328 5.843 -3.465 1.00 15.01 C ATOM 1306 CG TYR A 869 -2.502 7.212 -4.086 1.00 16.20 C ATOM 1307 CD1 TYR A 869 -2.945 7.351 -5.398 1.00 16.77 C ATOM 1308 CD2 TYR A 869 -2.197 8.364 -3.372 1.00 17.23 C ATOM 1309 CE1 TYR A 869 -3.057 8.601 -5.991 1.00 15.81 C ATOM 1310 CE2 TYR A 869 -2.330 9.625 -3.947 1.00 18.14 C ATOM 1311 CZ TYR A 869 -2.753 9.737 -5.260 1.00 22.25 C ATOM 1312 OH TYR A 869 -2.903 10.972 -5.831 1.00 23.55 O ATOM 1313 HH TYR A 869 -3.573 11.492 -5.319 1.00 0.00 H ATOM 1314 H TYR A 869 -1.529 3.704 -2.446 1.00 0.00 H ATOM 1315 N THR A 870 0.760 6.303 -3.277 1.00 12.92 N ATOM 1316 CA THR A 870 1.933 7.176 -3.383 1.00 13.31 C ATOM 1317 C THR A 870 3.055 6.518 -4.189 1.00 16.47 C ATOM 1318 O THR A 870 3.684 7.190 -4.996 1.00 14.37 O ATOM 1319 CB THR A 870 2.405 7.690 -2.025 1.00 17.52 C ATOM 1320 OG1 THR A 870 2.862 6.596 -1.213 1.00 16.75 O ATOM 1321 CG2 THR A 870 1.355 8.578 -1.318 1.00 17.58 C ATOM 1322 HG1 THR A 870 2.120 5.955 -1.078 1.00 0.00 H ATOM 1323 H THR A 870 0.456 5.987 -2.334 1.00 0.00 H ATOM 1324 N ILE A 871 3.268 5.211 -4.018 1.00 13.96 N ATOM 1325 CA ILE A 871 4.326 4.527 -4.794 1.00 14.65 C ATOM 1326 C ILE A 871 3.933 4.494 -6.274 1.00 16.22 C ATOM 1327 O ILE A 871 4.738 4.824 -7.140 1.00 14.02 O ATOM 1328 CB ILE A 871 4.712 3.129 -4.226 1.00 18.32 C ATOM 1329 CG1 ILE A 871 5.230 3.233 -2.761 1.00 19.07 C ATOM 1330 CG2 ILE A 871 5.772 2.447 -5.116 1.00 19.85 C ATOM 1331 CD1 ILE A 871 5.168 1.830 -2.018 1.00 25.88 C ATOM 1332 H ILE A 871 2.691 4.674 -3.340 1.00 0.00 H ATOM 1333 N MET A 872 2.679 4.126 -6.546 1.00 14.14 N ATOM 1334 CA MET A 872 2.154 4.062 -7.903 1.00 13.62 C ATOM 1335 C MET A 872 2.222 5.411 -8.629 1.00 16.28 C ATOM 1336 O MET A 872 2.492 5.445 -9.819 1.00 15.08 O ATOM 1337 CB MET A 872 0.722 3.514 -7.877 1.00 14.98 C ATOM 1338 CG MET A 872 0.681 2.044 -7.442 1.00 17.48 C ATOM 1339 SD MET A 872 -0.978 1.479 -7.061 1.00 20.49 S ATOM 1340 CE MET A 872 -1.572 1.144 -8.726 1.00 17.04 C ATOM 1341 H MET A 872 2.051 3.875 -5.756 1.00 0.00 H ATOM 1342 N LYS A 873 1.981 6.516 -7.919 1.00 13.23 N ATOM 1343 CA LYS A 873 2.046 7.841 -8.525 1.00 12.76 C ATOM 1344 C LYS A 873 3.488 8.153 -9.002 1.00 16.34 C ATOM 1345 O LYS A 873 3.655 8.674 -10.094 1.00 14.51 O ATOM 1346 CB LYS A 873 1.504 8.888 -7.543 1.00 15.41 C ATOM 1347 CG LYS A 873 1.177 10.216 -8.201 1.00 22.44 C ATOM 1348 CD LYS A 873 0.100 11.026 -7.432 1.00 24.00 C ATOM 1349 CE LYS A 873 0.383 11.204 -5.951 1.00 28.66 C ATOM 1350 NZ LYS A 873 1.660 11.929 -5.699 1.00 28.27 N ATOM 1351 HZ1 LYS A 873 2.449 11.394 -6.115 1.00 0.00 H ATOM 1352 HZ2 LYS A 873 1.613 12.873 -6.133 1.00 0.00 H ATOM 1353 HZ3 LYS A 873 1.807 12.024 -4.674 1.00 0.00 H ATOM 1354 H LYS A 873 1.741 6.430 -6.911 1.00 0.00 H ATOM 1355 N VAL A 874 4.520 7.737 -8.239 1.00 16.35 N ATOM 1356 CA VAL A 874 5.928 7.880 -8.646 1.00 14.49 C ATOM 1357 C VAL A 874 6.151 7.021 -9.904 1.00 17.59 C ATOM 1358 O VAL A 874 6.789 7.461 -10.861 1.00 15.96 O ATOM 1359 CB VAL A 874 6.910 7.451 -7.517 1.00 17.22 C ATOM 1360 CG1 VAL A 874 8.361 7.535 -7.998 1.00 17.22 C ATOM 1361 CG2 VAL A 874 6.704 8.288 -6.250 1.00 16.95 C ATOM 1362 H VAL A 874 4.312 7.295 -7.321 1.00 0.00 H ATOM 1363 N LEU A 875 5.611 5.801 -9.914 1.00 14.43 N ATOM 1364 CA LEU A 875 5.773 4.952 -11.099 1.00 14.24 C ATOM 1365 C LEU A 875 5.147 5.586 -12.341 1.00 15.96 C ATOM 1366 O LEU A 875 5.727 5.499 -13.419 1.00 15.60 O ATOM 1367 CB LEU A 875 5.284 3.524 -10.846 1.00 14.45 C ATOM 1368 CG LEU A 875 6.130 2.763 -9.796 1.00 18.44 C ATOM 1369 CD1 LEU A 875 5.479 1.432 -9.426 1.00 18.37 C ATOM 1370 CD2 LEU A 875 7.573 2.523 -10.302 1.00 18.97 C ATOM 1371 H LEU A 875 5.080 5.455 -9.089 1.00 0.00 H ATOM 1372 N LEU A 876 4.041 6.321 -12.175 1.00 13.62 N ATOM 1373 CA LEU A 876 3.441 7.026 -13.306 1.00 13.62 C ATOM 1374 C LEU A 876 4.318 8.183 -13.791 1.00 16.31 C ATOM 1375 O LEU A 876 4.413 8.431 -14.996 1.00 15.87 O ATOM 1376 CB LEU A 876 2.020 7.508 -12.959 1.00 13.26 C ATOM 1377 CG LEU A 876 0.968 6.406 -12.804 1.00 17.77 C ATOM 1378 CD1 LEU A 876 -0.367 7.016 -12.425 1.00 17.66 C ATOM 1379 CD2 LEU A 876 0.775 5.602 -14.121 1.00 19.61 C ATOM 1380 H LEU A 876 3.605 6.391 -11.233 1.00 0.00 H ATOM 1381 N LEU A 877 5.011 8.866 -12.868 1.00 12.95 N ATOM 1382 CA LEU A 877 5.958 9.915 -13.270 1.00 12.82 C ATOM 1383 C LEU A 877 7.072 9.303 -14.155 1.00 16.16 C ATOM 1384 O LEU A 877 7.617 9.960 -15.050 1.00 16.86 O ATOM 1385 CB LEU A 877 6.561 10.575 -12.024 1.00 11.98 C ATOM 1386 CG LEU A 877 7.758 11.529 -12.242 1.00 16.18 C ATOM 1387 CD1 LEU A 877 7.336 12.812 -13.014 1.00 15.88 C ATOM 1388 CD2 LEU A 877 8.423 11.839 -10.915 1.00 18.20 C ATOM 1389 H LEU A 877 4.877 8.651 -11.859 1.00 0.00 H ATOM 1390 N LEU A 878 7.375 8.027 -13.924 1.00 13.53 N ATOM 1391 CA LEU A 878 8.451 7.320 -14.641 1.00 14.12 C ATOM 1392 C LEU A 878 7.892 6.302 -15.679 1.00 17.98 C ATOM 1393 O LEU A 878 8.583 5.338 -16.016 1.00 18.82 O ATOM 1394 CB LEU A 878 9.285 6.568 -13.566 1.00 14.87 C ATOM 1395 CG LEU A 878 9.755 7.379 -12.336 1.00 18.52 C ATOM 1396 CD1 LEU A 878 10.356 6.469 -11.298 1.00 19.74 C ATOM 1397 CD2 LEU A 878 10.770 8.467 -12.736 1.00 22.89 C ATOM 1398 H LEU A 878 6.829 7.507 -13.207 1.00 0.00 H ATOM 1399 N SER A 879 6.676 6.542 -16.203 1.00 15.98 N ATOM 1400 CA SER A 879 6.027 5.592 -17.105 1.00 16.30 C ATOM 1401 C SER A 879 6.035 5.953 -18.593 1.00 20.53 C ATOM 1402 O SER A 879 5.604 5.132 -19.402 1.00 21.24 O ATOM 1403 CB SER A 879 4.600 5.322 -16.646 1.00 19.14 C ATOM 1404 OG SER A 879 4.611 4.410 -15.563 1.00 27.45 O ATOM 1405 HG SER A 879 5.130 4.796 -14.813 1.00 0.00 H ATOM 1406 H SER A 879 6.185 7.426 -15.960 1.00 0.00 H ATOM 1407 N THR A 880 6.492 7.154 -18.959 1.00 17.02 N ATOM 1408 CA THR A 880 6.542 7.581 -20.366 1.00 17.41 C ATOM 1409 C THR A 880 7.876 8.256 -20.629 1.00 21.77 C ATOM 1410 O THR A 880 8.212 9.237 -19.962 1.00 20.71 O ATOM 1411 CB THR A 880 5.317 8.428 -20.771 1.00 26.49 C ATOM 1412 OG1 THR A 880 4.108 7.820 -20.294 1.00 25.24 O ATOM 1413 CG2 THR A 880 5.222 8.639 -22.285 1.00 27.04 C ATOM 1414 HG1 THR A 880 4.141 7.752 -19.307 1.00 0.00 H ATOM 1415 H THR A 880 6.824 7.810 -18.223 1.00 0.00 H ATOM 1416 N ILE A 881 8.658 7.703 -21.556 1.00 20.02 N ATOM 1417 CA ILE A 881 9.988 8.250 -21.903 1.00 20.60 C ATOM 1418 C ILE A 881 10.115 8.491 -23.433 1.00 25.24 C ATOM 1419 O ILE A 881 9.295 7.960 -24.183 1.00 25.38 O ATOM 1420 CB ILE A 881 11.132 7.325 -21.404 1.00 23.90 C ATOM 1421 CG1 ILE A 881 11.106 5.934 -22.125 1.00 24.10 C ATOM 1422 CG2 ILE A 881 11.133 7.213 -19.870 1.00 25.52 C ATOM 1423 CD1 ILE A 881 12.336 5.010 -21.887 1.00 27.48 C ATOM 1424 H ILE A 881 8.320 6.855 -22.054 1.00 0.00 H ATOM 1425 N PRO A 882 11.141 9.218 -23.934 1.00 22.40 N ATOM 1426 CA PRO A 882 11.285 9.344 -25.400 1.00 23.04 C ATOM 1427 C PRO A 882 11.615 7.979 -26.008 1.00 26.60 C ATOM 1428 O PRO A 882 12.265 7.145 -25.374 1.00 24.87 O ATOM 1429 CB PRO A 882 12.482 10.305 -25.575 1.00 24.25 C ATOM 1430 CG PRO A 882 12.671 10.954 -24.242 1.00 27.29 C ATOM 1431 CD PRO A 882 12.236 9.926 -23.237 1.00 22.53 C ATOM 1432 N LYS A 883 11.185 7.770 -27.247 1.00 25.86 N ATOM 1433 CA LYS A 883 11.418 6.539 -28.018 1.00 26.76 C ATOM 1434 C LYS A 883 12.927 6.221 -28.101 1.00 32.27 C ATOM 1435 O LYS A 883 13.307 5.063 -27.967 1.00 32.02 O ATOM 1436 CB LYS A 883 10.788 6.693 -29.409 1.00 29.93 C ATOM 1437 CG LYS A 883 10.714 5.421 -30.245 1.00 48.13 C ATOM 1438 CD LYS A 883 10.054 5.663 -31.608 1.00 57.27 C ATOM 1439 CE LYS A 883 10.997 6.150 -32.691 1.00 65.52 C ATOM 1440 NZ LYS A 883 11.272 7.610 -32.592 1.00 70.79 N ATOM 1441 HZ1 LYS A 883 10.380 8.137 -32.683 1.00 0.00 H ATOM 1442 HZ2 LYS A 883 11.707 7.818 -31.670 1.00 0.00 H ATOM 1443 HZ3 LYS A 883 11.921 7.892 -33.354 1.00 0.00 H ATOM 1444 H LYS A 883 10.645 8.531 -27.705 1.00 0.00 H ATOM 1445 N ASP A 884 13.773 7.256 -28.214 1.00 31.82 N ATOM 1446 CA ASP A 884 15.234 7.113 -28.282 1.00 33.64 C ATOM 1447 C ASP A 884 15.915 7.164 -26.890 1.00 35.93 C ATOM 1448 O ASP A 884 17.146 7.232 -26.798 1.00 35.41 O ATOM 1449 CB ASP A 884 15.841 8.132 -29.266 1.00 37.17 C ATOM 1450 CG ASP A 884 15.259 8.025 -30.670 1.00 53.74 C ATOM 1451 OD1 ASP A 884 15.438 6.958 -31.311 1.00 55.52 O ATOM 1452 OD2 ASP A 884 14.604 8.998 -31.120 1.00 59.11 O ATOM 1453 H ASP A 884 13.372 8.215 -28.256 1.00 0.00 H ATOM 1454 N GLY A 885 15.098 7.065 -25.839 1.00 31.35 N ATOM 1455 CA GLY A 885 15.535 7.056 -24.446 1.00 29.96 C ATOM 1456 C GLY A 885 15.868 8.423 -23.883 1.00 30.12 C ATOM 1457 O GLY A 885 15.844 9.426 -24.594 1.00 29.02 O ATOM 1458 H GLY A 885 14.078 6.989 -26.026 1.00 0.00 H ATOM 1459 N LEU A 886 16.153 8.466 -22.581 1.00 23.69 N ATOM 1460 CA LEU A 886 16.513 9.687 -21.873 1.00 21.56 C ATOM 1461 C LEU A 886 18.015 9.965 -21.988 1.00 23.59 C ATOM 1462 O LEU A 886 18.771 9.095 -22.441 1.00 22.96 O ATOM 1463 CB LEU A 886 16.110 9.554 -20.401 1.00 20.82 C ATOM 1464 CG LEU A 886 14.607 9.484 -20.128 1.00 23.66 C ATOM 1465 CD1 LEU A 886 14.355 8.841 -18.825 1.00 23.69 C ATOM 1466 CD2 LEU A 886 13.940 10.879 -20.168 1.00 22.50 C ATOM 1467 H LEU A 886 16.116 7.578 -22.041 1.00 0.00 H ATOM 1468 N LYS A 887 18.447 11.185 -21.578 1.00 20.86 N ATOM 1469 CA LYS A 887 19.867 11.586 -21.581 1.00 21.63 C ATOM 1470 C LYS A 887 20.712 10.688 -20.661 1.00 24.81 C ATOM 1471 O LYS A 887 21.833 10.313 -21.019 1.00 24.87 O ATOM 1472 CB LYS A 887 20.015 13.070 -21.189 1.00 24.28 C ATOM 1473 CG LYS A 887 19.457 14.054 -22.230 1.00 28.90 C ATOM 1474 CD LYS A 887 20.185 14.028 -23.587 1.00 43.24 C ATOM 1475 CE LYS A 887 21.441 14.870 -23.643 1.00 56.36 C ATOM 1476 NZ LYS A 887 21.930 15.029 -25.040 1.00 62.28 N ATOM 1477 HZ1 LYS A 887 22.143 14.093 -25.440 1.00 0.00 H ATOM 1478 HZ2 LYS A 887 21.196 15.493 -25.612 1.00 0.00 H ATOM 1479 HZ3 LYS A 887 22.792 15.611 -25.040 1.00 0.00 H ATOM 1480 H LYS A 887 17.741 11.872 -21.245 1.00 0.00 H ATOM 1481 N SER A 888 20.146 10.321 -19.498 1.00 21.11 N ATOM 1482 CA SER A 888 20.741 9.447 -18.483 1.00 20.55 C ATOM 1483 C SER A 888 19.768 8.279 -18.250 1.00 22.97 C ATOM 1484 O SER A 888 19.071 8.197 -17.225 1.00 20.91 O ATOM 1485 CB SER A 888 20.994 10.223 -17.195 1.00 24.02 C ATOM 1486 OG SER A 888 21.985 11.216 -17.428 1.00 29.63 O ATOM 1487 HG SER A 888 22.149 11.720 -16.592 1.00 0.00 H ATOM 1488 H SER A 888 19.195 10.693 -19.300 1.00 0.00 H ATOM 1489 N GLN A 889 19.719 7.381 -19.235 1.00 20.80 N ATOM 1490 CA GLN A 889 18.797 6.233 -19.219 1.00 20.36 C ATOM 1491 C GLN A 889 19.062 5.292 -18.035 1.00 24.09 C ATOM 1492 O GLN A 889 18.115 4.843 -17.398 1.00 24.04 O ATOM 1493 CB GLN A 889 18.852 5.477 -20.569 1.00 22.50 C ATOM 1494 CG GLN A 889 17.783 4.356 -20.698 1.00 26.07 C ATOM 1495 CD GLN A 889 16.357 4.848 -20.704 1.00 30.49 C ATOM 1496 OE1 GLN A 889 16.060 5.971 -21.120 1.00 24.54 O ATOM 1497 NE2 GLN A 889 15.431 4.005 -20.250 1.00 27.91 N ATOM 1498 HE22 GLN A 889 15.709 3.064 -19.905 1.00 0.00 H ATOM 1499 HE21 GLN A 889 14.430 4.288 -20.241 1.00 0.00 H ATOM 1500 H GLN A 889 20.358 7.496 -20.047 1.00 0.00 H ATOM 1501 N ALA A 890 20.337 5.009 -17.739 1.00 20.86 N ATOM 1502 CA ALA A 890 20.693 4.109 -16.637 1.00 20.94 C ATOM 1503 C ALA A 890 20.266 4.676 -15.272 1.00 23.61 C ATOM 1504 O ALA A 890 19.693 3.931 -14.478 1.00 21.51 O ATOM 1505 CB ALA A 890 22.176 3.764 -16.669 1.00 21.88 C ATOM 1506 H ALA A 890 21.095 5.439 -18.306 1.00 0.00 H ATOM 1507 N ALA A 891 20.450 6.000 -15.047 1.00 20.66 N ATOM 1508 CA ALA A 891 20.015 6.681 -13.822 1.00 19.81 C ATOM 1509 C ALA A 891 18.490 6.571 -13.682 1.00 21.37 C ATOM 1510 O ALA A 891 17.991 6.273 -12.604 1.00 20.44 O ATOM 1511 CB ALA A 891 20.428 8.144 -13.867 1.00 20.78 C ATOM 1512 H ALA A 891 20.925 6.563 -15.781 1.00 0.00 H ATOM 1513 N PHE A 892 17.750 6.785 -14.783 1.00 18.39 N ATOM 1514 CA PHE A 892 16.290 6.668 -14.771 1.00 17.40 C ATOM 1515 C PHE A 892 15.876 5.231 -14.409 1.00 21.84 C ATOM 1516 O PHE A 892 15.004 5.034 -13.569 1.00 20.83 O ATOM 1517 CB PHE A 892 15.718 7.024 -16.143 1.00 18.56 C ATOM 1518 CG PHE A 892 14.302 6.519 -16.375 1.00 18.57 C ATOM 1519 CD1 PHE A 892 13.212 7.189 -15.837 1.00 18.86 C ATOM 1520 CD2 PHE A 892 14.070 5.374 -17.128 1.00 20.35 C ATOM 1521 CE1 PHE A 892 11.906 6.722 -16.052 1.00 18.90 C ATOM 1522 CE2 PHE A 892 12.773 4.899 -17.331 1.00 22.12 C ATOM 1523 CZ PHE A 892 11.699 5.586 -16.809 1.00 19.10 C ATOM 1524 H PHE A 892 18.228 7.041 -15.670 1.00 0.00 H ATOM 1525 N GLU A 893 16.480 4.239 -15.081 1.00 20.36 N ATOM 1526 CA GLU A 893 16.139 2.831 -14.883 1.00 20.61 C ATOM 1527 C GLU A 893 16.397 2.376 -13.458 1.00 24.05 C ATOM 1528 O GLU A 893 15.579 1.634 -12.912 1.00 22.36 O ATOM 1529 CB GLU A 893 16.831 1.936 -15.924 1.00 22.48 C ATOM 1530 CG GLU A 893 16.250 2.142 -17.321 1.00 27.75 C ATOM 1531 CD GLU A 893 16.712 1.186 -18.400 1.00 43.68 C ATOM 1532 OE1 GLU A 893 16.246 1.326 -19.553 1.00 35.40 O ATOM 1533 OE2 GLU A 893 17.542 0.300 -18.097 1.00 31.30 O ATOM 1534 H GLU A 893 17.220 4.481 -15.770 1.00 0.00 H ATOM 1535 N GLU A 894 17.472 2.875 -12.834 1.00 21.12 N ATOM 1536 CA GLU A 894 17.794 2.579 -11.437 1.00 21.18 C ATOM 1537 C GLU A 894 16.674 3.144 -10.532 1.00 22.40 C ATOM 1538 O GLU A 894 16.161 2.428 -9.667 1.00 21.62 O ATOM 1539 CB GLU A 894 19.146 3.193 -11.049 1.00 23.25 C ATOM 1540 CG GLU A 894 19.554 2.869 -9.619 1.00 35.04 C ATOM 1541 CD GLU A 894 20.816 3.543 -9.118 1.00 60.71 C ATOM 1542 OE1 GLU A 894 21.033 4.736 -9.435 1.00 52.81 O ATOM 1543 OE2 GLU A 894 21.561 2.890 -8.354 1.00 59.46 O ATOM 1544 H GLU A 894 18.108 3.502 -13.367 1.00 0.00 H ATOM 1545 N MET A 895 16.276 4.402 -10.751 1.00 19.68 N ATOM 1546 CA MET A 895 15.200 5.002 -9.961 1.00 17.75 C ATOM 1547 C MET A 895 13.885 4.218 -10.138 1.00 19.65 C ATOM 1548 O MET A 895 13.273 3.875 -9.130 1.00 17.88 O ATOM 1549 CB MET A 895 15.018 6.489 -10.285 1.00 19.13 C ATOM 1550 CG MET A 895 14.016 7.176 -9.357 1.00 20.78 C ATOM 1551 SD MET A 895 13.729 8.866 -9.893 1.00 21.65 S ATOM 1552 CE MET A 895 12.337 9.340 -8.836 1.00 17.83 C ATOM 1553 H MET A 895 16.739 4.963 -11.495 1.00 0.00 H ATOM 1554 N ARG A 896 13.463 3.944 -11.398 1.00 16.71 N ATOM 1555 CA ARG A 896 12.235 3.190 -11.687 1.00 16.21 C ATOM 1556 C ARG A 896 12.260 1.803 -11.019 1.00 20.83 C ATOM 1557 O ARG A 896 11.291 1.439 -10.347 1.00 20.87 O ATOM 1558 CB ARG A 896 11.975 3.075 -13.206 1.00 15.93 C ATOM 1559 CG ARG A 896 10.711 2.265 -13.544 1.00 17.56 C ATOM 1560 CD ARG A 896 10.195 2.505 -14.946 1.00 23.84 C ATOM 1561 NE ARG A 896 9.130 1.553 -15.279 1.00 26.05 N ATOM 1562 CZ ARG A 896 7.827 1.799 -15.172 1.00 37.44 C ATOM 1563 NH1 ARG A 896 7.398 2.978 -14.738 1.00 26.07 N ATOM 1564 NH2 ARG A 896 6.942 0.865 -15.493 1.00 19.42 N ATOM 1565 HE ARG A 896 9.415 0.615 -15.625 1.00 0.00 H ATOM 1566 HH12 ARG A 896 6.378 3.163 -14.657 1.00 0.00 H ATOM 1567 HH11 ARG A 896 8.082 3.717 -14.479 1.00 0.00 H ATOM 1568 HH22 ARG A 896 5.924 1.062 -15.408 1.00 0.00 H ATOM 1569 HH21 ARG A 896 7.266 -0.064 -15.830 1.00 0.00 H ATOM 1570 H ARG A 896 14.036 4.284 -12.197 1.00 0.00 H ATOM 1571 N THR A 897 13.367 1.047 -11.193 1.00 18.24 N ATOM 1572 CA THR A 897 13.537 -0.309 -10.599 1.00 18.92 C ATOM 1573 C THR A 897 13.371 -0.253 -9.079 1.00 22.30 C ATOM 1574 O THR A 897 12.668 -1.080 -8.511 1.00 22.35 O ATOM 1575 CB THR A 897 14.904 -0.899 -11.037 1.00 24.55 C ATOM 1576 OG1 THR A 897 14.850 -1.094 -12.455 1.00 25.55 O ATOM 1577 CG2 THR A 897 15.253 -2.247 -10.339 1.00 24.71 C ATOM 1578 HG1 THR A 897 14.688 -0.225 -12.900 1.00 0.00 H ATOM 1579 H THR A 897 14.141 1.432 -11.772 1.00 0.00 H ATOM 1580 N ASN A 898 13.977 0.762 -8.440 1.00 19.91 N ATOM 1581 CA ASN A 898 13.915 0.919 -6.998 1.00 20.77 C ATOM 1582 C ASN A 898 12.504 1.147 -6.503 1.00 23.44 C ATOM 1583 O ASN A 898 12.119 0.571 -5.481 1.00 22.52 O ATOM 1584 CB ASN A 898 14.886 2.002 -6.525 1.00 24.92 C ATOM 1585 CG ASN A 898 16.316 1.513 -6.547 1.00 46.00 C ATOM 1586 OD1 ASN A 898 16.631 0.416 -6.095 1.00 34.73 O ATOM 1587 ND2 ASN A 898 17.215 2.306 -7.089 1.00 47.62 N ATOM 1588 HD22 ASN A 898 16.931 3.232 -7.467 1.00 0.00 H ATOM 1589 HD21 ASN A 898 18.210 2.007 -7.139 1.00 0.00 H ATOM 1590 H ASN A 898 14.509 1.460 -8.998 1.00 0.00 H ATOM 1591 N TYR A 899 11.710 1.936 -7.250 1.00 19.15 N ATOM 1592 CA TYR A 899 10.333 2.196 -6.858 1.00 17.49 C ATOM 1593 C TYR A 899 9.448 0.957 -7.101 1.00 21.07 C ATOM 1594 O TYR A 899 8.557 0.697 -6.296 1.00 20.16 O ATOM 1595 CB TYR A 899 9.800 3.488 -7.492 1.00 17.53 C ATOM 1596 CG TYR A 899 10.215 4.706 -6.695 1.00 17.87 C ATOM 1597 CD1 TYR A 899 9.568 5.042 -5.510 1.00 19.75 C ATOM 1598 CD2 TYR A 899 11.310 5.477 -7.080 1.00 17.57 C ATOM 1599 CE1 TYR A 899 9.968 6.142 -4.751 1.00 20.45 C ATOM 1600 CE2 TYR A 899 11.695 6.606 -6.349 1.00 17.55 C ATOM 1601 CZ TYR A 899 11.015 6.936 -5.187 1.00 22.62 C ATOM 1602 OH TYR A 899 11.409 8.010 -4.426 1.00 19.84 O ATOM 1603 HH TYR A 899 11.357 8.835 -4.970 1.00 0.00 H ATOM 1604 H TYR A 899 12.086 2.366 -8.119 1.00 0.00 H ATOM 1605 N ILE A 900 9.746 0.157 -8.160 1.00 18.68 N ATOM 1606 CA ILE A 900 9.030 -1.108 -8.407 1.00 19.09 C ATOM 1607 C ILE A 900 9.268 -2.053 -7.199 1.00 23.36 C ATOM 1608 O ILE A 900 8.316 -2.676 -6.708 1.00 23.32 O ATOM 1609 CB ILE A 900 9.385 -1.774 -9.773 1.00 22.13 C ATOM 1610 CG1 ILE A 900 8.910 -0.877 -10.966 1.00 21.70 C ATOM 1611 CG2 ILE A 900 8.716 -3.170 -9.873 1.00 22.41 C ATOM 1612 CD1 ILE A 900 9.492 -1.249 -12.347 1.00 23.64 C ATOM 1613 H ILE A 900 10.501 0.446 -8.814 1.00 0.00 H ATOM 1614 N LYS A 901 10.530 -2.097 -6.691 1.00 21.32 N ATOM 1615 CA LYS A 901 10.927 -2.901 -5.516 1.00 22.18 C ATOM 1616 C LYS A 901 10.137 -2.445 -4.295 1.00 26.17 C ATOM 1617 O LYS A 901 9.621 -3.289 -3.577 1.00 25.07 O ATOM 1618 CB LYS A 901 12.436 -2.805 -5.238 1.00 24.37 C ATOM 1619 CG LYS A 901 13.290 -3.577 -6.228 1.00 41.60 C ATOM 1620 CD LYS A 901 14.777 -3.396 -5.954 1.00 53.39 C ATOM 1621 CE LYS A 901 15.618 -4.205 -6.914 1.00 66.76 C ATOM 1622 NZ LYS A 901 17.048 -3.802 -6.867 1.00 76.08 N ATOM 1623 HZ1 LYS A 901 17.132 -2.798 -7.123 1.00 0.00 H ATOM 1624 HZ2 LYS A 901 17.417 -3.948 -5.905 1.00 0.00 H ATOM 1625 HZ3 LYS A 901 17.592 -4.380 -7.539 1.00 0.00 H ATOM 1626 H LYS A 901 11.263 -1.528 -7.160 1.00 0.00 H ATOM 1627 N GLU A 902 9.983 -1.112 -4.098 1.00 22.24 N ATOM 1628 CA GLU A 902 9.178 -0.550 -3.007 1.00 21.66 C ATOM 1629 C GLU A 902 7.714 -0.992 -3.077 1.00 26.57 C ATOM 1630 O GLU A 902 7.138 -1.324 -2.043 1.00 27.26 O ATOM 1631 CB GLU A 902 9.275 0.981 -2.934 1.00 22.15 C ATOM 1632 CG GLU A 902 10.616 1.489 -2.422 1.00 30.15 C ATOM 1633 CD GLU A 902 11.134 0.908 -1.115 1.00 38.33 C ATOM 1634 OE1 GLU A 902 12.338 0.576 -1.059 1.00 37.37 O ATOM 1635 OE2 GLU A 902 10.341 0.772 -0.155 1.00 33.59 O ATOM 1636 H GLU A 902 10.458 -0.457 -4.751 1.00 0.00 H ATOM 1637 N LEU A 903 7.121 -1.009 -4.287 1.00 22.20 N ATOM 1638 CA LEU A 903 5.734 -1.440 -4.474 1.00 22.51 C ATOM 1639 C LEU A 903 5.591 -2.922 -4.100 1.00 26.51 C ATOM 1640 O LEU A 903 4.607 -3.281 -3.454 1.00 25.25 O ATOM 1641 CB LEU A 903 5.251 -1.196 -5.907 1.00 22.27 C ATOM 1642 CG LEU A 903 3.767 -1.504 -6.202 1.00 26.91 C ATOM 1643 CD1 LEU A 903 2.810 -0.566 -5.406 1.00 27.26 C ATOM 1644 CD2 LEU A 903 3.491 -1.443 -7.699 1.00 29.21 C ATOM 1645 H LEU A 903 7.668 -0.705 -5.118 1.00 0.00 H ATOM 1646 N ARG A 904 6.573 -3.767 -4.490 1.00 24.91 N ATOM 1647 CA ARG A 904 6.547 -5.191 -4.152 1.00 25.84 C ATOM 1648 C ARG A 904 6.654 -5.419 -2.632 1.00 30.83 C ATOM 1649 O ARG A 904 5.936 -6.260 -2.098 1.00 30.24 O ATOM 1650 CB ARG A 904 7.617 -5.984 -4.938 1.00 25.85 C ATOM 1651 CG ARG A 904 7.501 -7.511 -4.785 1.00 32.07 C ATOM 1652 CD ARG A 904 6.180 -8.064 -5.325 1.00 40.01 C ATOM 1653 NE ARG A 904 6.005 -9.489 -5.041 1.00 47.12 N ATOM 1654 CZ ARG A 904 5.434 -9.978 -3.944 1.00 66.02 C ATOM 1655 NH1 ARG A 904 4.981 -9.160 -3.001 1.00 54.57 N ATOM 1656 NH2 ARG A 904 5.320 -11.289 -3.776 1.00 54.72 N ATOM 1657 HE ARG A 904 6.352 -10.168 -5.748 1.00 0.00 H ATOM 1658 HH12 ARG A 904 4.535 -9.549 -2.145 1.00 0.00 H ATOM 1659 HH11 ARG A 904 5.072 -8.131 -3.118 1.00 0.00 H ATOM 1660 HH22 ARG A 904 4.873 -11.666 -2.916 1.00 0.00 H ATOM 1661 HH21 ARG A 904 5.678 -11.940 -4.504 1.00 0.00 H ATOM 1662 H ARG A 904 7.369 -3.394 -5.046 1.00 0.00 H ATOM 1663 N LYS A 905 7.523 -4.656 -1.943 1.00 28.62 N ATOM 1664 CA LYS A 905 7.674 -4.724 -0.482 1.00 29.64 C ATOM 1665 C LYS A 905 6.370 -4.304 0.212 1.00 33.99 C ATOM 1666 O LYS A 905 5.963 -4.931 1.188 1.00 35.50 O ATOM 1667 CB LYS A 905 8.818 -3.810 -0.019 1.00 32.23 C ATOM 1668 CG LYS A 905 10.190 -4.457 -0.097 1.00 44.22 C ATOM 1669 CD LYS A 905 11.267 -3.607 0.570 1.00 51.83 C ATOM 1670 CE LYS A 905 12.017 -2.740 -0.410 1.00 64.12 C ATOM 1671 NZ LYS A 905 13.214 -2.117 0.213 1.00 77.73 N ATOM 1672 HZ1 LYS A 905 12.917 -1.525 1.015 1.00 0.00 H ATOM 1673 HZ2 LYS A 905 13.856 -2.863 0.550 1.00 0.00 H ATOM 1674 HZ3 LYS A 905 13.703 -1.529 -0.491 1.00 0.00 H ATOM 1675 H LYS A 905 8.117 -3.985 -2.470 1.00 0.00 H ATOM 1676 N MET A 906 5.708 -3.262 -0.316 1.00 28.63 N ATOM 1677 CA MET A 906 4.474 -2.721 0.222 1.00 29.28 C ATOM 1678 C MET A 906 3.247 -3.669 0.124 1.00 36.25 C ATOM 1679 O MET A 906 2.437 -3.681 1.054 1.00 36.20 O ATOM 1680 CB MET A 906 4.167 -1.375 -0.463 1.00 30.80 C ATOM 1681 CG MET A 906 3.126 -0.523 0.242 1.00 35.13 C ATOM 1682 SD MET A 906 3.439 -0.237 2.013 1.00 40.89 S ATOM 1683 CE MET A 906 4.754 0.837 1.933 1.00 37.30 C ATOM 1684 H MET A 906 6.106 -2.814 -1.166 1.00 0.00 H ATOM 1685 N VAL A 907 3.088 -4.425 -0.991 1.00 33.47 N ATOM 1686 CA VAL A 907 1.902 -5.289 -1.196 1.00 34.37 C ATOM 1687 C VAL A 907 1.811 -6.448 -0.168 1.00 42.37 C ATOM 1688 O VAL A 907 0.713 -6.971 0.060 1.00 42.98 O ATOM 1689 CB VAL A 907 1.706 -5.791 -2.650 1.00 37.55 C ATOM 1690 CG1 VAL A 907 1.395 -4.630 -3.579 1.00 36.39 C ATOM 1691 CG2 VAL A 907 2.912 -6.571 -3.154 1.00 37.51 C ATOM 1692 H VAL A 907 3.823 -4.397 -1.726 1.00 0.00 H ATOM 1693 N THR A 908 2.935 -6.786 0.490 1.00 41.41 N ATOM 1694 CA THR A 908 3.011 -7.811 1.548 1.00 43.31 C ATOM 1695 C THR A 908 2.171 -7.425 2.796 1.00 49.98 C ATOM 1696 O THR A 908 1.814 -8.304 3.582 1.00 51.90 O ATOM 1697 CB THR A 908 4.475 -8.055 1.962 1.00 45.44 C ATOM 1698 OG1 THR A 908 4.927 -6.921 2.706 1.00 39.30 O ATOM 1699 CG2 THR A 908 5.399 -8.338 0.766 1.00 41.36 C ATOM 1700 HG1 THR A 908 4.864 -6.111 2.141 1.00 0.00 H ATOM 1701 H THR A 908 3.812 -6.289 0.235 1.00 0.00 H ATOM 1702 N LYS A 909 1.868 -6.121 2.967 1.00 45.99 N ATOM 1703 CA LYS A 909 1.095 -5.588 4.095 1.00 46.13 C ATOM 1704 C LYS A 909 -0.426 -5.779 3.946 1.00 50.74 C ATOM 1705 O LYS A 909 -1.133 -5.769 4.957 1.00 51.49 O ATOM 1706 CB LYS A 909 1.434 -4.098 4.371 1.00 47.87 C ATOM 1707 CG LYS A 909 2.927 -3.699 4.319 1.00 63.28 C ATOM 1708 CD LYS A 909 3.866 -4.551 5.203 1.00 74.21 C ATOM 1709 CE LYS A 909 4.780 -3.729 6.079 1.00 87.01 C ATOM 1710 NZ LYS A 909 5.802 -2.982 5.297 1.00 96.08 N ATOM 1711 HZ1 LYS A 909 6.389 -3.655 4.764 1.00 0.00 H ATOM 1712 HZ2 LYS A 909 5.326 -2.336 4.635 1.00 0.00 H ATOM 1713 HZ3 LYS A 909 6.402 -2.435 5.947 1.00 0.00 H ATOM 1714 H LYS A 909 2.206 -5.447 2.250 1.00 0.00 H ATOM 1715 N SER A 910 -0.928 -5.935 2.702 1.00 46.64 N ATOM 1716 CA SER A 910 -2.361 -6.116 2.423 1.00 55.32 C ATOM 1717 C SER A 910 -2.708 -7.556 2.013 1.00 85.74 C ATOM 1718 O SER A 910 -2.464 -7.977 0.881 1.00 43.76 O ATOM 1719 CB SER A 910 -2.853 -5.108 1.383 1.00 56.25 C ATOM 1720 OG SER A 910 -2.956 -3.797 1.914 1.00 59.09 O ATOM 1721 HG SER A 910 -2.067 -3.501 2.233 1.00 0.00 H ATOM 1722 H SER A 910 -0.267 -5.927 1.899 1.00 0.00 H TER 1723 SER A 910 ATOM 1724 N SER A 917 0.965 -12.522 -1.637 1.00 35.17 N ATOM 1725 CA SER A 917 0.967 -11.101 -2.013 1.00 33.08 C ATOM 1726 C SER A 917 1.257 -10.866 -3.507 1.00 32.98 C ATOM 1727 O SER A 917 1.066 -9.745 -3.977 1.00 30.37 O ATOM 1728 CB SER A 917 1.954 -10.313 -1.154 1.00 37.17 C ATOM 1729 OG SER A 917 3.286 -10.721 -1.416 1.00 47.38 O ATOM 1730 HG SER A 917 3.907 -10.198 -0.850 1.00 0.00 H ATOM 1731 HN3 SER A 917 1.896 -12.936 -1.845 1.00 0.00 H ATOM 1732 HN2 SER A 917 0.233 -13.022 -2.181 1.00 0.00 H ATOM 1733 HN1 SER A 917 0.764 -12.610 -0.620 1.00 0.00 H ATOM 1734 N TRP A 918 1.721 -11.914 -4.253 1.00 28.64 N ATOM 1735 CA TRP A 918 1.980 -11.802 -5.692 1.00 26.99 C ATOM 1736 C TRP A 918 0.715 -11.367 -6.431 1.00 28.48 C ATOM 1737 O TRP A 918 0.806 -10.594 -7.377 1.00 29.07 O ATOM 1738 CB TRP A 918 2.556 -13.109 -6.300 1.00 26.37 C ATOM 1739 CG TRP A 918 1.670 -14.320 -6.190 1.00 27.82 C ATOM 1740 CD1 TRP A 918 1.686 -15.254 -5.196 1.00 31.69 C ATOM 1741 CD2 TRP A 918 0.658 -14.743 -7.121 1.00 27.94 C ATOM 1742 NE1 TRP A 918 0.748 -16.228 -5.445 1.00 31.38 N ATOM 1743 CE2 TRP A 918 0.082 -15.926 -6.605 1.00 32.47 C ATOM 1744 CE3 TRP A 918 0.142 -14.209 -8.318 1.00 28.82 C ATOM 1745 CZ2 TRP A 918 -0.943 -16.614 -7.267 1.00 32.91 C ATOM 1746 CZ3 TRP A 918 -0.914 -14.863 -8.946 1.00 30.37 C ATOM 1747 CH2 TRP A 918 -1.428 -16.064 -8.435 1.00 31.88 C ATOM 1748 HE1 TRP A 918 0.572 -17.061 -4.848 1.00 0.00 H ATOM 1749 H TRP A 918 1.897 -12.825 -3.782 1.00 0.00 H ATOM 1750 N GLN A 919 -0.459 -11.872 -5.999 1.00 23.25 N ATOM 1751 CA GLN A 919 -1.756 -11.565 -6.597 1.00 22.93 C ATOM 1752 C GLN A 919 -2.011 -10.074 -6.533 1.00 26.56 C ATOM 1753 O GLN A 919 -2.346 -9.469 -7.550 1.00 24.82 O ATOM 1754 CB GLN A 919 -2.904 -12.322 -5.903 1.00 25.04 C ATOM 1755 CG GLN A 919 -2.819 -13.829 -5.976 1.00 43.91 C ATOM 1756 CD GLN A 919 -2.560 -14.452 -4.625 1.00 68.44 C ATOM 1757 OE1 GLN A 919 -1.631 -14.073 -3.888 1.00 62.64 O ATOM 1758 NE2 GLN A 919 -3.358 -15.454 -4.291 1.00 57.91 N ATOM 1759 HE22 GLN A 919 -4.124 -15.744 -4.931 1.00 0.00 H ATOM 1760 HE21 GLN A 919 -3.219 -15.951 -3.388 1.00 0.00 H ATOM 1761 H GLN A 919 -0.439 -12.522 -5.187 1.00 0.00 H ATOM 1762 N ARG A 920 -1.787 -9.459 -5.360 1.00 24.56 N ATOM 1763 CA ARG A 920 -2.002 -8.012 -5.259 1.00 22.64 C ATOM 1764 C ARG A 920 -1.036 -7.219 -6.146 1.00 22.71 C ATOM 1765 O ARG A 920 -1.453 -6.243 -6.768 1.00 22.19 O ATOM 1766 CB ARG A 920 -1.950 -7.528 -3.814 1.00 23.13 C ATOM 1767 CG ARG A 920 -2.479 -6.098 -3.695 1.00 21.46 C ATOM 1768 CD ARG A 920 -2.918 -5.792 -2.313 1.00 29.15 C ATOM 1769 NE ARG A 920 -3.431 -4.424 -2.222 1.00 26.69 N ATOM 1770 CZ ARG A 920 -4.697 -4.080 -2.419 1.00 33.68 C ATOM 1771 NH1 ARG A 920 -5.605 -5.002 -2.732 1.00 20.15 N ATOM 1772 NH2 ARG A 920 -5.070 -2.816 -2.296 1.00 20.91 N ATOM 1773 HE ARG A 920 -2.756 -3.669 -1.986 1.00 0.00 H ATOM 1774 HH12 ARG A 920 -6.596 -4.725 -2.885 1.00 0.00 H ATOM 1775 HH11 ARG A 920 -5.324 -5.999 -2.823 1.00 0.00 H ATOM 1776 HH22 ARG A 920 -6.063 -2.549 -2.451 1.00 0.00 H ATOM 1777 HH21 ARG A 920 -4.370 -2.089 -2.044 1.00 0.00 H ATOM 1778 H ARG A 920 -1.465 -10.002 -4.534 1.00 0.00 H ATOM 1779 N PHE A 921 0.237 -7.623 -6.196 1.00 20.11 N ATOM 1780 CA PHE A 921 1.242 -6.959 -7.020 1.00 19.21 C ATOM 1781 C PHE A 921 0.780 -6.843 -8.485 1.00 21.04 C ATOM 1782 O PHE A 921 0.782 -5.741 -9.036 1.00 19.40 O ATOM 1783 CB PHE A 921 2.609 -7.663 -6.922 1.00 21.98 C ATOM 1784 CG PHE A 921 3.676 -6.981 -7.746 1.00 23.39 C ATOM 1785 CD1 PHE A 921 4.231 -5.771 -7.334 1.00 27.30 C ATOM 1786 CD2 PHE A 921 4.118 -7.540 -8.941 1.00 25.69 C ATOM 1787 CE1 PHE A 921 5.218 -5.141 -8.096 1.00 28.28 C ATOM 1788 CE2 PHE A 921 5.102 -6.906 -9.704 1.00 28.65 C ATOM 1789 CZ PHE A 921 5.649 -5.716 -9.272 1.00 26.81 C ATOM 1790 H PHE A 921 0.523 -8.444 -5.625 1.00 0.00 H ATOM 1791 N TYR A 922 0.333 -7.971 -9.074 1.00 19.05 N ATOM 1792 CA TYR A 922 -0.156 -8.014 -10.446 1.00 18.96 C ATOM 1793 C TYR A 922 -1.453 -7.243 -10.641 1.00 22.50 C ATOM 1794 O TYR A 922 -1.641 -6.690 -11.720 1.00 21.83 O ATOM 1795 CB TYR A 922 -0.250 -9.444 -10.957 1.00 20.56 C ATOM 1796 CG TYR A 922 1.117 -10.059 -11.180 1.00 20.75 C ATOM 1797 CD1 TYR A 922 2.019 -9.498 -12.082 1.00 22.51 C ATOM 1798 CD2 TYR A 922 1.500 -11.211 -10.509 1.00 22.21 C ATOM 1799 CE1 TYR A 922 3.249 -10.104 -12.348 1.00 24.22 C ATOM 1800 CE2 TYR A 922 2.716 -11.840 -10.784 1.00 23.43 C ATOM 1801 CZ TYR A 922 3.589 -11.275 -11.698 1.00 25.86 C ATOM 1802 OH TYR A 922 4.800 -11.863 -11.934 1.00 26.35 O ATOM 1803 HH TYR A 922 5.296 -11.335 -12.609 1.00 0.00 H ATOM 1804 H TYR A 922 0.338 -8.853 -8.522 1.00 0.00 H ATOM 1805 N GLN A 923 -2.316 -7.154 -9.614 1.00 19.79 N ATOM 1806 CA GLN A 923 -3.528 -6.340 -9.745 1.00 19.13 C ATOM 1807 C GLN A 923 -3.126 -4.844 -9.849 1.00 22.43 C ATOM 1808 O GLN A 923 -3.700 -4.100 -10.651 1.00 21.72 O ATOM 1809 CB GLN A 923 -4.474 -6.560 -8.561 1.00 20.49 C ATOM 1810 CG GLN A 923 -5.158 -7.926 -8.589 1.00 23.14 C ATOM 1811 CD GLN A 923 -6.091 -8.135 -7.432 1.00 33.29 C ATOM 1812 OE1 GLN A 923 -7.242 -8.547 -7.606 1.00 32.70 O ATOM 1813 NE2 GLN A 923 -5.621 -7.865 -6.231 1.00 17.48 N ATOM 1814 HE22 GLN A 923 -4.646 -7.519 -6.120 1.00 0.00 H ATOM 1815 HE21 GLN A 923 -6.225 -7.997 -5.394 1.00 0.00 H ATOM 1816 H GLN A 923 -2.124 -7.662 -8.727 1.00 0.00 H ATOM 1817 N LEU A 924 -2.101 -4.435 -9.074 1.00 18.77 N ATOM 1818 CA LEU A 924 -1.591 -3.063 -9.073 1.00 18.60 C ATOM 1819 C LEU A 924 -0.835 -2.708 -10.352 1.00 20.96 C ATOM 1820 O LEU A 924 -1.047 -1.619 -10.904 1.00 20.19 O ATOM 1821 CB LEU A 924 -0.766 -2.761 -7.810 1.00 18.62 C ATOM 1822 CG LEU A 924 -1.509 -2.885 -6.446 1.00 23.19 C ATOM 1823 CD1 LEU A 924 -0.690 -2.260 -5.340 1.00 22.89 C ATOM 1824 CD2 LEU A 924 -2.887 -2.209 -6.466 1.00 25.98 C ATOM 1825 H LEU A 924 -1.650 -5.130 -8.445 1.00 0.00 H ATOM 1826 N THR A 925 -0.017 -3.633 -10.868 1.00 17.35 N ATOM 1827 CA THR A 925 0.674 -3.383 -12.126 1.00 16.93 C ATOM 1828 C THR A 925 -0.307 -3.359 -13.295 1.00 20.13 C ATOM 1829 O THR A 925 -0.111 -2.550 -14.200 1.00 18.76 O ATOM 1830 CB THR A 925 1.863 -4.335 -12.361 1.00 19.67 C ATOM 1831 OG1 THR A 925 1.392 -5.673 -12.275 1.00 20.33 O ATOM 1832 CG2 THR A 925 3.000 -4.103 -11.381 1.00 22.31 C ATOM 1833 HG1 THR A 925 2.146 -6.297 -12.424 1.00 0.00 H ATOM 1834 H THR A 925 0.126 -4.534 -10.369 1.00 0.00 H ATOM 1835 N LYS A 926 -1.376 -4.209 -13.262 1.00 17.16 N ATOM 1836 CA LYS A 926 -2.429 -4.218 -14.291 1.00 16.90 C ATOM 1837 C LYS A 926 -3.134 -2.829 -14.281 1.00 20.48 C ATOM 1838 O LYS A 926 -3.336 -2.239 -15.337 1.00 20.52 O ATOM 1839 CB LYS A 926 -3.460 -5.346 -14.048 1.00 18.74 C ATOM 1840 CG LYS A 926 -4.615 -5.360 -15.069 1.00 25.90 C ATOM 1841 CD LYS A 926 -5.577 -6.541 -14.856 1.00 31.88 C ATOM 1842 CE LYS A 926 -6.736 -6.468 -15.829 1.00 41.72 C ATOM 1843 NZ LYS A 926 -7.688 -7.599 -15.648 1.00 46.57 N ATOM 1844 HZ1 LYS A 926 -7.189 -8.498 -15.803 1.00 0.00 H ATOM 1845 HZ2 LYS A 926 -8.072 -7.576 -14.682 1.00 0.00 H ATOM 1846 HZ3 LYS A 926 -8.465 -7.510 -16.334 1.00 0.00 H ATOM 1847 H LYS A 926 -1.449 -4.882 -12.472 1.00 0.00 H ATOM 1848 N LEU A 927 -3.457 -2.310 -13.088 1.00 18.53 N ATOM 1849 CA LEU A 927 -4.099 -0.991 -12.911 1.00 17.97 C ATOM 1850 C LEU A 927 -3.209 0.130 -13.491 1.00 21.42 C ATOM 1851 O LEU A 927 -3.702 0.968 -14.260 1.00 20.78 O ATOM 1852 CB LEU A 927 -4.404 -0.754 -11.414 1.00 18.07 C ATOM 1853 CG LEU A 927 -5.065 0.577 -11.005 1.00 22.07 C ATOM 1854 CD1 LEU A 927 -6.339 0.824 -11.774 1.00 22.38 C ATOM 1855 CD2 LEU A 927 -5.358 0.599 -9.486 1.00 23.43 C ATOM 1856 H LEU A 927 -3.243 -2.868 -12.237 1.00 0.00 H ATOM 1857 N LEU A 928 -1.897 0.102 -13.181 1.00 17.88 N ATOM 1858 CA LEU A 928 -0.929 1.084 -13.702 1.00 16.96 C ATOM 1859 C LEU A 928 -0.903 1.066 -15.226 1.00 20.92 C ATOM 1860 O LEU A 928 -0.975 2.130 -15.841 1.00 20.35 O ATOM 1861 CB LEU A 928 0.483 0.825 -13.159 1.00 17.06 C ATOM 1862 CG LEU A 928 0.757 1.319 -11.723 1.00 22.79 C ATOM 1863 CD1 LEU A 928 2.076 0.747 -11.184 1.00 23.39 C ATOM 1864 CD2 LEU A 928 0.840 2.838 -11.671 1.00 26.03 C ATOM 1865 H LEU A 928 -1.553 -0.646 -12.546 1.00 0.00 H ATOM 1866 N ASP A 929 -0.809 -0.148 -15.845 1.00 18.39 N ATOM 1867 CA ASP A 929 -0.808 -0.271 -17.304 1.00 17.65 C ATOM 1868 C ASP A 929 -2.072 0.280 -17.909 1.00 20.06 C ATOM 1869 O ASP A 929 -1.997 0.904 -18.959 1.00 21.73 O ATOM 1870 CB ASP A 929 -0.640 -1.742 -17.751 1.00 18.40 C ATOM 1871 CG ASP A 929 0.764 -2.275 -17.591 1.00 22.95 C ATOM 1872 OD1 ASP A 929 1.685 -1.465 -17.271 1.00 20.64 O ATOM 1873 OD2 ASP A 929 0.954 -3.494 -17.784 1.00 23.87 O ATOM 1874 H ASP A 929 -0.736 -1.008 -15.265 1.00 0.00 H ATOM 1875 N SER A 930 -3.226 0.025 -17.280 1.00 17.69 N ATOM 1876 CA SER A 930 -4.519 0.501 -17.772 1.00 17.61 C ATOM 1877 C SER A 930 -4.577 2.046 -17.854 1.00 21.96 C ATOM 1878 O SER A 930 -5.386 2.576 -18.609 1.00 22.42 O ATOM 1879 CB SER A 930 -5.667 -0.069 -16.943 1.00 20.32 C ATOM 1880 OG SER A 930 -5.897 0.623 -15.729 1.00 23.08 O ATOM 1881 HG SER A 930 -5.082 0.583 -15.168 1.00 0.00 H ATOM 1882 H SER A 930 -3.202 -0.535 -16.404 1.00 0.00 H ATOM 1883 N MET A 931 -3.704 2.756 -17.112 1.00 17.97 N ATOM 1884 CA MET A 931 -3.696 4.229 -17.134 1.00 16.55 C ATOM 1885 C MET A 931 -3.322 4.790 -18.506 1.00 22.52 C ATOM 1886 O MET A 931 -3.882 5.809 -18.914 1.00 20.47 O ATOM 1887 CB MET A 931 -2.787 4.830 -16.045 1.00 17.98 C ATOM 1888 CG MET A 931 -3.297 4.588 -14.614 1.00 20.22 C ATOM 1889 SD MET A 931 -4.955 5.244 -14.286 1.00 22.18 S ATOM 1890 CE MET A 931 -4.694 7.028 -14.635 1.00 19.90 C ATOM 1891 H MET A 931 -3.021 2.253 -16.511 1.00 0.00 H ATOM 1892 N HIS A 932 -2.356 4.148 -19.197 1.00 19.96 N ATOM 1893 CA HIS A 932 -1.863 4.593 -20.509 1.00 19.71 C ATOM 1894 C HIS A 932 -3.001 4.799 -21.534 1.00 22.87 C ATOM 1895 O HIS A 932 -3.021 5.814 -22.225 1.00 20.88 O ATOM 1896 CB HIS A 932 -0.817 3.607 -21.061 1.00 20.98 C ATOM 1897 CG HIS A 932 0.549 3.727 -20.451 1.00 25.09 C ATOM 1898 ND1 HIS A 932 1.261 4.922 -20.481 1.00 27.05 N ATOM 1899 CD2 HIS A 932 1.351 2.763 -19.933 1.00 27.94 C ATOM 1900 CE1 HIS A 932 2.437 4.661 -19.930 1.00 26.72 C ATOM 1901 NE2 HIS A 932 2.539 3.378 -19.582 1.00 27.42 N ATOM 1902 H HIS A 932 -1.938 3.292 -18.779 1.00 0.00 H ATOM 1903 N ASP A 933 -3.923 3.833 -21.645 1.00 19.57 N ATOM 1904 CA ASP A 933 -5.045 3.919 -22.585 1.00 20.25 C ATOM 1905 C ASP A 933 -5.974 5.102 -22.285 1.00 22.95 C ATOM 1906 O ASP A 933 -6.306 5.854 -23.200 1.00 22.14 O ATOM 1907 CB ASP A 933 -5.827 2.612 -22.570 1.00 24.08 C ATOM 1908 CG ASP A 933 -4.909 1.453 -22.892 1.00 45.79 C ATOM 1909 OD1 ASP A 933 -4.173 0.998 -21.966 1.00 49.33 O ATOM 1910 OD2 ASP A 933 -4.814 1.094 -24.080 1.00 49.84 O ATOM 1911 H ASP A 933 -3.840 2.990 -21.041 1.00 0.00 H ATOM 1912 N LEU A 934 -6.386 5.258 -21.002 1.00 19.60 N ATOM 1913 CA LEU A 934 -7.246 6.376 -20.578 1.00 19.35 C ATOM 1914 C LEU A 934 -6.523 7.718 -20.812 1.00 18.42 C ATOM 1915 O LEU A 934 -7.108 8.636 -21.368 1.00 16.52 O ATOM 1916 CB LEU A 934 -7.666 6.237 -19.092 1.00 19.84 C ATOM 1917 CG LEU A 934 -8.509 7.417 -18.528 1.00 25.06 C ATOM 1918 CD1 LEU A 934 -9.894 7.521 -19.202 1.00 24.85 C ATOM 1919 CD2 LEU A 934 -8.665 7.317 -17.036 1.00 30.36 C ATOM 1920 H LEU A 934 -6.083 4.562 -20.291 1.00 0.00 H ATOM 1921 N VAL A 935 -5.245 7.808 -20.424 1.00 17.51 N ATOM 1922 CA VAL A 935 -4.425 9.018 -20.609 1.00 16.21 C ATOM 1923 C VAL A 935 -4.313 9.404 -22.102 1.00 19.41 C ATOM 1924 O VAL A 935 -4.397 10.589 -22.429 1.00 17.66 O ATOM 1925 CB VAL A 935 -3.061 8.875 -19.909 1.00 18.98 C ATOM 1926 CG1 VAL A 935 -2.104 10.011 -20.273 1.00 19.61 C ATOM 1927 CG2 VAL A 935 -3.252 8.779 -18.396 1.00 17.71 C ATOM 1928 H VAL A 935 -4.808 6.981 -19.969 1.00 0.00 H ATOM 1929 N SER A 936 -4.145 8.402 -22.991 1.00 17.65 N ATOM 1930 CA SER A 936 -4.066 8.613 -24.443 1.00 17.76 C ATOM 1931 C SER A 936 -5.320 9.317 -24.947 1.00 20.63 C ATOM 1932 O SER A 936 -5.216 10.266 -25.721 1.00 19.91 O ATOM 1933 CB SER A 936 -3.894 7.282 -25.175 1.00 21.86 C ATOM 1934 OG SER A 936 -3.803 7.483 -26.578 1.00 26.01 O ATOM 1935 HG SER A 936 -4.630 7.920 -26.902 1.00 0.00 H ATOM 1936 H SER A 936 -4.067 7.430 -22.629 1.00 0.00 H ATOM 1937 N ASP A 937 -6.499 8.865 -24.481 1.00 17.71 N ATOM 1938 CA ASP A 937 -7.803 9.411 -24.858 1.00 17.46 C ATOM 1939 C ASP A 937 -7.999 10.807 -24.272 1.00 18.94 C ATOM 1940 O ASP A 937 -8.477 11.690 -24.976 1.00 19.24 O ATOM 1941 CB ASP A 937 -8.915 8.456 -24.399 1.00 19.93 C ATOM 1942 CG ASP A 937 -8.962 7.157 -25.195 1.00 31.33 C ATOM 1943 OD1 ASP A 937 -8.392 7.119 -26.304 1.00 29.80 O ATOM 1944 OD2 ASP A 937 -9.526 6.170 -24.682 1.00 37.83 O ATOM 1945 H ASP A 937 -6.482 8.073 -23.807 1.00 0.00 H ATOM 1946 N LEU A 938 -7.581 11.018 -23.014 1.00 15.72 N ATOM 1947 CA LEU A 938 -7.655 12.342 -22.371 1.00 14.82 C ATOM 1948 C LEU A 938 -6.782 13.341 -23.135 1.00 19.16 C ATOM 1949 O LEU A 938 -7.218 14.459 -23.406 1.00 16.70 O ATOM 1950 CB LEU A 938 -7.207 12.282 -20.890 1.00 14.32 C ATOM 1951 CG LEU A 938 -8.198 11.618 -19.927 1.00 16.07 C ATOM 1952 CD1 LEU A 938 -7.558 11.409 -18.563 1.00 16.23 C ATOM 1953 CD2 LEU A 938 -9.521 12.448 -19.788 1.00 17.70 C ATOM 1954 H LEU A 938 -7.191 10.219 -22.474 1.00 0.00 H ATOM 1955 N LEU A 939 -5.547 12.937 -23.480 1.00 16.03 N ATOM 1956 CA LEU A 939 -4.626 13.789 -24.239 1.00 16.01 C ATOM 1957 C LEU A 939 -5.145 14.111 -25.622 1.00 21.15 C ATOM 1958 O LEU A 939 -4.949 15.241 -26.082 1.00 21.26 O ATOM 1959 CB LEU A 939 -3.214 13.171 -24.332 1.00 15.38 C ATOM 1960 CG LEU A 939 -2.371 13.216 -23.042 1.00 18.50 C ATOM 1961 CD1 LEU A 939 -1.119 12.357 -23.211 1.00 17.71 C ATOM 1962 CD2 LEU A 939 -1.991 14.667 -22.660 1.00 18.80 C ATOM 1963 H LEU A 939 -5.234 11.986 -23.198 1.00 0.00 H ATOM 1964 N GLU A 940 -5.782 13.125 -26.301 1.00 17.23 N ATOM 1965 CA GLU A 940 -6.344 13.325 -27.633 1.00 18.14 C ATOM 1966 C GLU A 940 -7.383 14.474 -27.595 1.00 19.86 C ATOM 1967 O GLU A 940 -7.366 15.353 -28.470 1.00 20.55 O ATOM 1968 CB GLU A 940 -6.952 12.018 -28.158 1.00 20.67 C ATOM 1969 CG GLU A 940 -7.437 12.092 -29.597 1.00 33.57 C ATOM 1970 CD GLU A 940 -8.185 10.871 -30.101 1.00 56.95 C ATOM 1971 OE1 GLU A 940 -8.612 10.035 -29.271 1.00 51.53 O ATOM 1972 OE2 GLU A 940 -8.384 10.776 -31.334 1.00 55.67 O ATOM 1973 H GLU A 940 -5.874 12.190 -25.855 1.00 0.00 H ATOM 1974 N PHE A 941 -8.230 14.501 -26.545 1.00 15.66 N ATOM 1975 CA PHE A 941 -9.226 15.553 -26.399 1.00 16.08 C ATOM 1976 C PHE A 941 -8.589 16.872 -26.023 1.00 19.41 C ATOM 1977 O PHE A 941 -8.997 17.905 -26.543 1.00 20.43 O ATOM 1978 CB PHE A 941 -10.327 15.170 -25.398 1.00 17.49 C ATOM 1979 CG PHE A 941 -11.480 16.144 -25.457 1.00 19.15 C ATOM 1980 CD1 PHE A 941 -12.261 16.257 -26.607 1.00 25.05 C ATOM 1981 CD2 PHE A 941 -11.823 16.905 -24.352 1.00 19.07 C ATOM 1982 CE1 PHE A 941 -13.352 17.143 -26.650 1.00 26.56 C ATOM 1983 CE2 PHE A 941 -12.906 17.799 -24.401 1.00 23.43 C ATOM 1984 CZ PHE A 941 -13.674 17.895 -25.540 1.00 24.16 C ATOM 1985 H PHE A 941 -8.170 13.754 -25.824 1.00 0.00 H ATOM 1986 N CYS A 942 -7.575 16.835 -25.139 1.00 16.64 N ATOM 1987 CA CYS A 942 -6.855 18.034 -24.718 1.00 16.85 C ATOM 1988 C CYS A 942 -6.125 18.695 -25.886 1.00 20.65 C ATOM 1989 O CYS A 942 -6.178 19.921 -26.021 1.00 18.65 O ATOM 1990 CB CYS A 942 -5.908 17.704 -23.569 1.00 17.54 C ATOM 1991 SG CYS A 942 -5.228 19.164 -22.751 1.00 21.58 S ATOM 1992 H CYS A 942 -7.293 15.917 -24.740 1.00 0.00 H ATOM 1993 N PHE A 943 -5.466 17.879 -26.751 1.00 17.70 N ATOM 1994 CA PHE A 943 -4.770 18.384 -27.943 1.00 17.35 C ATOM 1995 C PHE A 943 -5.761 19.032 -28.927 1.00 20.91 C ATOM 1996 O PHE A 943 -5.458 20.084 -29.494 1.00 20.66 O ATOM 1997 CB PHE A 943 -3.948 17.271 -28.618 1.00 18.39 C ATOM 1998 CG PHE A 943 -2.795 16.713 -27.799 1.00 18.16 C ATOM 1999 CD1 PHE A 943 -2.292 17.409 -26.699 1.00 19.45 C ATOM 2000 CD2 PHE A 943 -2.196 15.508 -28.147 1.00 19.53 C ATOM 2001 CE1 PHE A 943 -1.223 16.904 -25.959 1.00 20.63 C ATOM 2002 CE2 PHE A 943 -1.131 14.995 -27.400 1.00 21.46 C ATOM 2003 CZ PHE A 943 -0.637 15.700 -26.326 1.00 19.78 C ATOM 2004 H PHE A 943 -5.454 16.856 -26.562 1.00 0.00 H ATOM 2005 N TYR A 944 -6.963 18.443 -29.070 1.00 18.62 N ATOM 2006 CA TYR A 944 -8.030 18.957 -29.923 1.00 20.06 C ATOM 2007 C TYR A 944 -8.504 20.351 -29.457 1.00 22.99 C ATOM 2008 O TYR A 944 -8.494 21.308 -30.252 1.00 21.79 O ATOM 2009 CB TYR A 944 -9.196 17.939 -29.991 1.00 22.42 C ATOM 2010 CG TYR A 944 -10.448 18.507 -30.626 1.00 28.66 C ATOM 2011 CD1 TYR A 944 -10.558 18.632 -32.007 1.00 32.13 C ATOM 2012 CD2 TYR A 944 -11.513 18.945 -29.844 1.00 30.85 C ATOM 2013 CE1 TYR A 944 -11.692 19.193 -32.593 1.00 36.04 C ATOM 2014 CE2 TYR A 944 -12.655 19.498 -30.419 1.00 33.48 C ATOM 2015 CZ TYR A 944 -12.736 19.631 -31.793 1.00 44.23 C ATOM 2016 OH TYR A 944 -13.864 20.170 -32.358 1.00 51.49 O ATOM 2017 HH TYR A 944 -13.760 20.193 -33.342 1.00 0.00 H ATOM 2018 H TYR A 944 -7.143 17.567 -28.539 1.00 0.00 H ATOM 2019 N THR A 945 -8.892 20.477 -28.164 1.00 18.57 N ATOM 2020 CA THR A 945 -9.351 21.771 -27.628 1.00 19.61 C ATOM 2021 C THR A 945 -8.209 22.819 -27.637 1.00 22.46 C ATOM 2022 O THR A 945 -8.486 24.002 -27.787 1.00 22.73 O ATOM 2023 CB THR A 945 -9.979 21.638 -26.223 1.00 24.21 C ATOM 2024 OG1 THR A 945 -8.945 21.345 -25.294 1.00 27.41 O ATOM 2025 CG2 THR A 945 -11.086 20.554 -26.157 1.00 18.66 C ATOM 2026 HG1 THR A 945 -9.333 21.257 -24.387 1.00 0.00 H ATOM 2027 H THR A 945 -8.865 19.646 -27.539 1.00 0.00 H ATOM 2028 N PHE A 946 -6.959 22.381 -27.467 1.00 17.62 N ATOM 2029 CA PHE A 946 -5.780 23.267 -27.503 1.00 17.61 C ATOM 2030 C PHE A 946 -5.575 23.876 -28.902 1.00 24.31 C ATOM 2031 O PHE A 946 -5.359 25.090 -29.040 1.00 22.93 O ATOM 2032 CB PHE A 946 -4.529 22.510 -27.056 1.00 18.74 C ATOM 2033 CG PHE A 946 -3.308 23.385 -26.885 1.00 18.86 C ATOM 2034 CD1 PHE A 946 -3.179 24.220 -25.778 1.00 21.49 C ATOM 2035 CD2 PHE A 946 -2.279 23.364 -27.823 1.00 21.15 C ATOM 2036 CE1 PHE A 946 -2.035 25.014 -25.605 1.00 22.43 C ATOM 2037 CE2 PHE A 946 -1.120 24.139 -27.634 1.00 23.21 C ATOM 2038 CZ PHE A 946 -1.003 24.947 -26.522 1.00 21.28 C ATOM 2039 H PHE A 946 -6.809 21.365 -27.301 1.00 0.00 H ATOM 2040 N ARG A 947 -5.684 23.028 -29.935 1.00 24.45 N ATOM 2041 CA ARG A 947 -5.501 23.385 -31.344 1.00 28.06 C ATOM 2042 C ARG A 947 -6.640 24.233 -31.903 1.00 38.77 C ATOM 2043 O ARG A 947 -6.393 25.053 -32.786 1.00 40.33 O ATOM 2044 CB ARG A 947 -5.333 22.130 -32.184 1.00 29.36 C ATOM 2045 CG ARG A 947 -3.912 21.858 -32.581 1.00 42.86 C ATOM 2046 CD ARG A 947 -3.912 20.790 -33.652 1.00 53.24 C ATOM 2047 NE ARG A 947 -4.429 19.562 -33.063 1.00 56.92 N ATOM 2048 CZ ARG A 947 -3.735 18.446 -32.921 1.00 58.83 C ATOM 2049 NH1 ARG A 947 -2.516 18.345 -33.440 1.00 43.13 N ATOM 2050 NH2 ARG A 947 -4.272 17.401 -32.313 1.00 33.44 N ATOM 2051 HE ARG A 947 -5.414 19.563 -32.731 1.00 0.00 H ATOM 2052 HH12 ARG A 947 -1.974 17.465 -33.326 1.00 0.00 H ATOM 2053 HH11 ARG A 947 -2.104 19.146 -33.960 1.00 0.00 H ATOM 2054 HH22 ARG A 947 -3.723 16.525 -32.203 1.00 0.00 H ATOM 2055 HH21 ARG A 947 -5.243 17.456 -31.945 1.00 0.00 H ATOM 2056 H ARG A 947 -5.917 22.038 -29.719 1.00 0.00 H ATOM 2057 N GLU A 948 -7.877 24.010 -31.422 1.00 39.69 N ATOM 2058 CA GLU A 948 -9.086 24.785 -31.753 1.00 43.59 C ATOM 2059 C GLU A 948 -9.559 25.450 -30.432 1.00 52.39 C ATOM 2060 O GLU A 948 -10.638 25.136 -29.920 1.00 54.37 O ATOM 2061 CB GLU A 948 -10.185 23.851 -32.301 1.00 45.79 C ATOM 2062 CG GLU A 948 -10.048 23.500 -33.774 1.00 61.78 C ATOM 2063 CD GLU A 948 -9.621 22.076 -34.086 1.00 85.05 C ATOM 2064 OE1 GLU A 948 -9.752 21.667 -35.262 1.00 79.19 O ATOM 2065 OE2 GLU A 948 -9.150 21.369 -33.166 1.00 80.62 O ATOM 2066 H GLU A 948 -7.990 23.219 -30.756 1.00 0.00 H ATOM 2067 N SER A 949 -8.714 26.310 -29.847 1.00 50.15 N ATOM 2068 CA SER A 949 -8.952 26.949 -28.548 1.00 50.34 C ATOM 2069 C SER A 949 -10.001 28.054 -28.568 1.00 57.18 C ATOM 2070 O SER A 949 -11.031 27.883 -27.917 1.00 55.80 O ATOM 2071 CB SER A 949 -7.638 27.451 -27.961 1.00 53.16 C ATOM 2072 OG SER A 949 -7.755 28.079 -26.697 1.00 58.84 O ATOM 2073 HG SER A 949 -8.133 27.437 -26.045 1.00 0.00 H ATOM 2074 H SER A 949 -7.831 26.540 -30.347 1.00 0.00 H ATOM 2075 N HIS A 950 -9.736 29.188 -29.275 1.00 56.93 N ATOM 2076 CA HIS A 950 -10.664 30.324 -29.348 1.00 58.40 C ATOM 2077 C HIS A 950 -11.942 30.004 -30.135 1.00 62.82 C ATOM 2078 O HIS A 950 -12.978 30.622 -29.877 1.00 63.55 O ATOM 2079 CB HIS A 950 -9.993 31.612 -29.859 1.00 60.33 C ATOM 2080 CG HIS A 950 -10.804 32.836 -29.555 1.00 64.80 C ATOM 2081 ND1 HIS A 950 -11.452 33.543 -30.556 1.00 67.85 N ATOM 2082 CD2 HIS A 950 -11.115 33.392 -28.358 1.00 66.56 C ATOM 2083 CE1 HIS A 950 -12.099 34.526 -29.943 1.00 67.72 C ATOM 2084 NE2 HIS A 950 -11.924 34.478 -28.621 1.00 67.33 N ATOM 2085 H HIS A 950 -8.833 29.252 -29.788 1.00 0.00 H ATOM 2086 N ALA A 951 -11.882 29.010 -31.053 1.00 58.71 N ATOM 2087 CA ALA A 951 -13.035 28.521 -31.824 1.00 58.57 C ATOM 2088 C ALA A 951 -14.044 27.878 -30.857 1.00 60.85 C ATOM 2089 O ALA A 951 -15.256 28.007 -31.050 1.00 61.78 O ATOM 2090 CB ALA A 951 -12.578 27.498 -32.857 1.00 59.18 C ATOM 2091 H ALA A 951 -10.959 28.563 -31.224 1.00 0.00 H ATOM 2092 N LEU A 952 -13.526 27.237 -29.788 1.00 54.37 N ATOM 2093 CA LEU A 952 -14.304 26.582 -28.737 1.00 52.55 C ATOM 2094 C LEU A 952 -14.324 27.372 -27.405 1.00 50.62 C ATOM 2095 O LEU A 952 -14.937 26.897 -26.448 1.00 50.02 O ATOM 2096 CB LEU A 952 -13.781 25.140 -28.508 1.00 52.20 C ATOM 2097 CG LEU A 952 -13.932 24.148 -29.671 1.00 57.61 C ATOM 2098 CD1 LEU A 952 -13.070 22.933 -29.454 1.00 56.95 C ATOM 2099 CD2 LEU A 952 -15.383 23.727 -29.865 1.00 60.71 C ATOM 2100 H LEU A 952 -12.490 27.206 -29.705 1.00 0.00 H ATOM 2101 N LYS A 953 -13.665 28.571 -27.356 1.00 42.33 N ATOM 2102 CA LYS A 953 -13.517 29.487 -26.197 1.00 39.57 C ATOM 2103 C LYS A 953 -12.863 28.823 -24.941 1.00 36.27 C ATOM 2104 O LYS A 953 -13.112 29.243 -23.808 1.00 36.07 O ATOM 2105 CB LYS A 953 -14.857 30.162 -25.831 1.00 42.32 C ATOM 2106 CG LYS A 953 -15.481 30.985 -26.956 1.00 59.97 C ATOM 2107 CD LYS A 953 -17.009 30.872 -26.970 1.00 69.26 C ATOM 2108 CE LYS A 953 -17.519 29.674 -27.745 1.00 79.36 C ATOM 2109 NZ LYS A 953 -19.004 29.586 -27.714 1.00 88.30 N ATOM 2110 HZ1 LYS A 953 -19.324 29.498 -26.728 1.00 0.00 H ATOM 2111 HZ2 LYS A 953 -19.410 30.445 -28.136 1.00 0.00 H ATOM 2112 HZ3 LYS A 953 -19.312 28.753 -28.256 1.00 0.00 H ATOM 2113 H LYS A 953 -13.212 28.878 -28.240 1.00 0.00 H ATOM 2114 N VAL A 954 -12.050 27.791 -25.141 1.00 27.72 N ATOM 2115 CA VAL A 954 -11.437 27.077 -24.013 1.00 24.66 C ATOM 2116 C VAL A 954 -10.099 27.745 -23.676 1.00 26.88 C ATOM 2117 O VAL A 954 -9.232 27.849 -24.537 1.00 26.81 O ATOM 2118 CB VAL A 954 -11.322 25.555 -24.278 1.00 27.24 C ATOM 2119 CG1 VAL A 954 -10.654 24.833 -23.105 1.00 25.24 C ATOM 2120 CG2 VAL A 954 -12.698 24.940 -24.573 1.00 27.62 C ATOM 2121 H VAL A 954 -11.844 27.484 -26.113 1.00 0.00 H ATOM 2122 N GLU A 955 -9.960 28.221 -22.451 1.00 21.63 N ATOM 2123 CA GLU A 955 -8.743 28.914 -22.008 1.00 21.51 C ATOM 2124 C GLU A 955 -7.723 27.967 -21.383 1.00 21.12 C ATOM 2125 O GLU A 955 -8.106 27.010 -20.712 1.00 19.93 O ATOM 2126 CB GLU A 955 -9.081 30.027 -21.029 1.00 23.50 C ATOM 2127 CG GLU A 955 -9.914 31.154 -21.634 1.00 34.60 C ATOM 2128 CD GLU A 955 -10.257 32.240 -20.637 1.00 52.89 C ATOM 2129 OE1 GLU A 955 -10.670 31.900 -19.505 1.00 45.90 O ATOM 2130 OE2 GLU A 955 -10.059 33.431 -20.970 1.00 51.94 O ATOM 2131 H GLU A 955 -10.741 28.100 -21.775 1.00 0.00 H ATOM 2132 N PHE A 956 -6.436 28.267 -21.587 1.00 16.77 N ATOM 2133 CA PHE A 956 -5.302 27.499 -21.055 1.00 15.93 C ATOM 2134 C PHE A 956 -4.348 28.422 -20.297 1.00 18.81 C ATOM 2135 O PHE A 956 -3.900 29.441 -20.861 1.00 18.80 O ATOM 2136 CB PHE A 956 -4.540 26.778 -22.196 1.00 17.56 C ATOM 2137 CG PHE A 956 -5.264 25.585 -22.788 1.00 18.90 C ATOM 2138 CD1 PHE A 956 -6.264 25.761 -23.742 1.00 22.57 C ATOM 2139 CD2 PHE A 956 -4.918 24.287 -22.418 1.00 19.33 C ATOM 2140 CE1 PHE A 956 -6.938 24.664 -24.282 1.00 21.97 C ATOM 2141 CE2 PHE A 956 -5.588 23.185 -22.965 1.00 20.83 C ATOM 2142 CZ PHE A 956 -6.586 23.384 -23.899 1.00 19.78 C ATOM 2143 H PHE A 956 -6.222 29.105 -22.164 1.00 0.00 H ATOM 2144 N PRO A 957 -3.939 28.068 -19.056 1.00 17.18 N ATOM 2145 CA PRO A 957 -2.933 28.901 -18.369 1.00 17.89 C ATOM 2146 C PRO A 957 -1.547 28.698 -19.003 1.00 20.19 C ATOM 2147 O PRO A 957 -1.342 27.709 -19.724 1.00 19.73 O ATOM 2148 CB PRO A 957 -3.002 28.422 -16.915 1.00 19.24 C ATOM 2149 CG PRO A 957 -3.432 26.993 -17.017 1.00 23.09 C ATOM 2150 CD PRO A 957 -4.307 26.880 -18.252 1.00 18.77 C ATOM 2151 N ALA A 958 -0.625 29.656 -18.782 1.00 18.46 N ATOM 2152 CA ALA A 958 0.727 29.676 -19.352 1.00 19.14 C ATOM 2153 C ALA A 958 1.499 28.358 -19.176 1.00 21.87 C ATOM 2154 O ALA A 958 2.176 27.921 -20.108 1.00 19.77 O ATOM 2155 CB ALA A 958 1.523 30.858 -18.776 1.00 20.40 C ATOM 2156 H ALA A 958 -0.893 30.444 -18.158 1.00 0.00 H ATOM 2157 N MET A 959 1.393 27.751 -17.980 1.00 20.77 N ATOM 2158 CA MET A 959 2.051 26.495 -17.605 1.00 23.32 C ATOM 2159 C MET A 959 1.592 25.393 -18.579 1.00 24.11 C ATOM 2160 O MET A 959 2.445 24.720 -19.163 1.00 23.19 O ATOM 2161 CB MET A 959 1.709 26.138 -16.137 1.00 27.27 C ATOM 2162 CG MET A 959 2.568 25.027 -15.533 1.00 33.48 C ATOM 2163 SD MET A 959 4.264 25.563 -15.178 1.00 39.61 S ATOM 2164 CE MET A 959 5.092 24.699 -16.445 1.00 36.03 C ATOM 2165 H MET A 959 0.796 28.210 -17.263 1.00 0.00 H ATOM 2166 N LEU A 960 0.267 25.294 -18.828 1.00 20.54 N ATOM 2167 CA LEU A 960 -0.305 24.307 -19.752 1.00 20.77 C ATOM 2168 C LEU A 960 0.047 24.607 -21.196 1.00 21.58 C ATOM 2169 O LEU A 960 0.352 23.685 -21.951 1.00 20.27 O ATOM 2170 CB LEU A 960 -1.834 24.164 -19.601 1.00 22.00 C ATOM 2171 CG LEU A 960 -2.359 23.077 -18.643 1.00 26.54 C ATOM 2172 CD1 LEU A 960 -3.762 22.662 -19.026 1.00 26.24 C ATOM 2173 CD2 LEU A 960 -1.464 21.856 -18.611 1.00 30.23 C ATOM 2174 H LEU A 960 -0.378 25.949 -18.342 1.00 0.00 H ATOM 2175 N VAL A 961 0.057 25.899 -21.584 1.00 16.78 N ATOM 2176 CA VAL A 961 0.417 26.256 -22.965 1.00 16.14 C ATOM 2177 C VAL A 961 1.817 25.740 -23.284 1.00 22.17 C ATOM 2178 O VAL A 961 2.015 25.114 -24.325 1.00 21.80 O ATOM 2179 CB VAL A 961 0.302 27.776 -23.232 1.00 19.24 C ATOM 2180 CG1 VAL A 961 0.892 28.152 -24.597 1.00 19.70 C ATOM 2181 CG2 VAL A 961 -1.145 28.233 -23.125 1.00 19.02 C ATOM 2182 H VAL A 961 -0.191 26.646 -20.904 1.00 0.00 H ATOM 2183 N GLU A 962 2.776 26.019 -22.388 1.00 19.41 N ATOM 2184 CA GLU A 962 4.164 25.644 -22.555 1.00 20.08 C ATOM 2185 C GLU A 962 4.320 24.136 -22.653 1.00 21.96 C ATOM 2186 O GLU A 962 4.969 23.653 -23.588 1.00 21.13 O ATOM 2187 CB GLU A 962 4.977 26.197 -21.392 1.00 22.05 C ATOM 2188 CG GLU A 962 6.459 25.919 -21.489 1.00 34.53 C ATOM 2189 CD GLU A 962 7.151 26.368 -20.228 1.00 48.57 C ATOM 2190 OE1 GLU A 962 7.214 27.601 -20.021 1.00 32.29 O ATOM 2191 OE2 GLU A 962 7.497 25.500 -19.391 1.00 31.59 O ATOM 2192 H GLU A 962 2.507 26.534 -21.525 1.00 0.00 H ATOM 2193 N ILE A 963 3.740 23.399 -21.693 1.00 19.02 N ATOM 2194 CA ILE A 963 3.859 21.934 -21.653 1.00 19.42 C ATOM 2195 C ILE A 963 3.239 21.275 -22.889 1.00 21.59 C ATOM 2196 O ILE A 963 3.908 20.468 -23.537 1.00 20.99 O ATOM 2197 CB ILE A 963 3.307 21.364 -20.327 1.00 22.95 C ATOM 2198 CG1 ILE A 963 4.245 21.783 -19.144 1.00 25.02 C ATOM 2199 CG2 ILE A 963 3.154 19.821 -20.405 1.00 24.15 C ATOM 2200 CD1 ILE A 963 3.667 21.474 -17.729 1.00 33.59 C ATOM 2201 H ILE A 963 3.189 23.880 -20.954 1.00 0.00 H ATOM 2202 N ILE A 964 1.984 21.637 -23.219 1.00 17.12 N ATOM 2203 CA ILE A 964 1.263 21.076 -24.374 1.00 17.44 C ATOM 2204 C ILE A 964 1.952 21.418 -25.700 1.00 22.21 C ATOM 2205 O ILE A 964 2.038 20.547 -26.555 1.00 22.44 O ATOM 2206 CB ILE A 964 -0.245 21.433 -24.394 1.00 19.63 C ATOM 2207 CG1 ILE A 964 -0.959 20.928 -23.118 1.00 19.47 C ATOM 2208 CG2 ILE A 964 -0.933 20.883 -25.665 1.00 20.24 C ATOM 2209 CD1 ILE A 964 -2.307 21.589 -22.824 1.00 22.58 C ATOM 2210 H ILE A 964 1.502 22.346 -22.630 1.00 0.00 H ATOM 2211 N SER A 965 2.458 22.664 -25.866 1.00 19.83 N ATOM 2212 CA SER A 965 3.168 23.076 -27.087 1.00 19.89 C ATOM 2213 C SER A 965 4.366 22.171 -27.369 1.00 24.42 C ATOM 2214 O SER A 965 4.609 21.859 -28.520 1.00 24.05 O ATOM 2215 CB SER A 965 3.644 24.522 -26.979 1.00 23.37 C ATOM 2216 OG SER A 965 2.529 25.397 -26.987 1.00 28.42 O ATOM 2217 HG SER A 965 1.941 25.187 -26.219 1.00 0.00 H ATOM 2218 H SER A 965 2.340 23.357 -25.100 1.00 0.00 H ATOM 2219 N ASP A 966 5.110 21.760 -26.320 1.00 22.18 N ATOM 2220 CA ASP A 966 6.256 20.859 -26.431 1.00 22.51 C ATOM 2221 C ASP A 966 5.796 19.386 -26.600 1.00 27.03 C ATOM 2222 O ASP A 966 6.286 18.668 -27.475 1.00 28.65 O ATOM 2223 CB ASP A 966 7.134 20.979 -25.170 1.00 25.06 C ATOM 2224 CG ASP A 966 8.090 22.161 -25.116 1.00 48.41 C ATOM 2225 OD1 ASP A 966 8.362 22.765 -26.184 1.00 51.15 O ATOM 2226 OD2 ASP A 966 8.584 22.476 -24.005 1.00 57.99 O ATOM 2227 H ASP A 966 4.852 22.106 -25.374 1.00 0.00 H ATOM 2228 N GLN A 967 4.876 18.943 -25.750 1.00 22.30 N ATOM 2229 CA GLN A 967 4.394 17.562 -25.718 1.00 21.64 C ATOM 2230 C GLN A 967 3.595 17.128 -26.958 1.00 25.55 C ATOM 2231 O GLN A 967 3.845 16.026 -27.437 1.00 25.60 O ATOM 2232 CB GLN A 967 3.590 17.336 -24.427 1.00 21.52 C ATOM 2233 CG GLN A 967 2.992 15.938 -24.220 1.00 27.30 C ATOM 2234 CD GLN A 967 1.831 15.966 -23.266 1.00 33.98 C ATOM 2235 OE1 GLN A 967 1.214 17.014 -23.036 1.00 26.18 O ATOM 2236 NE2 GLN A 967 1.484 14.809 -22.711 1.00 24.94 N ATOM 2237 HE22 GLN A 967 2.024 13.947 -22.926 1.00 0.00 H ATOM 2238 HE21 GLN A 967 0.672 14.766 -22.062 1.00 0.00 H ATOM 2239 H GLN A 967 4.475 19.617 -25.067 1.00 0.00 H ATOM 2240 N LEU A 968 2.627 17.951 -27.441 1.00 21.13 N ATOM 2241 CA LEU A 968 1.723 17.649 -28.567 1.00 21.69 C ATOM 2242 C LEU A 968 2.471 17.151 -29.845 1.00 27.75 C ATOM 2243 O LEU A 968 2.110 16.066 -30.303 1.00 26.74 O ATOM 2244 CB LEU A 968 0.762 18.836 -28.875 1.00 21.56 C ATOM 2245 CG LEU A 968 -0.404 18.625 -29.861 1.00 25.36 C ATOM 2246 CD1 LEU A 968 -1.440 19.750 -29.732 1.00 24.89 C ATOM 2247 CD2 LEU A 968 0.073 18.628 -31.304 1.00 26.09 C ATOM 2248 H LEU A 968 2.514 18.874 -26.976 1.00 0.00 H ATOM 2249 N PRO A 969 3.478 17.878 -30.428 1.00 27.06 N ATOM 2250 CA PRO A 969 4.172 17.351 -31.618 1.00 27.97 C ATOM 2251 C PRO A 969 4.918 16.048 -31.329 1.00 32.16 C ATOM 2252 O PRO A 969 4.989 15.203 -32.210 1.00 32.66 O ATOM 2253 CB PRO A 969 5.167 18.466 -31.983 1.00 30.15 C ATOM 2254 CG PRO A 969 4.699 19.664 -31.280 1.00 34.30 C ATOM 2255 CD PRO A 969 4.046 19.179 -30.028 1.00 28.60 C ATOM 2256 N LYS A 970 5.469 15.890 -30.109 1.00 28.17 N ATOM 2257 CA LYS A 970 6.213 14.684 -29.709 1.00 27.78 C ATOM 2258 C LYS A 970 5.311 13.455 -29.599 1.00 30.29 C ATOM 2259 O LYS A 970 5.694 12.391 -30.084 1.00 29.71 O ATOM 2260 CB LYS A 970 6.990 14.912 -28.408 1.00 29.49 C ATOM 2261 CG LYS A 970 8.103 15.938 -28.559 1.00 29.15 C ATOM 2262 CD LYS A 970 8.800 16.198 -27.238 1.00 39.60 C ATOM 2263 CE LYS A 970 9.983 17.118 -27.425 1.00 45.67 C ATOM 2264 NZ LYS A 970 10.543 17.570 -26.123 1.00 57.16 N ATOM 2265 HZ1 LYS A 970 9.811 18.083 -25.591 1.00 0.00 H ATOM 2266 HZ2 LYS A 970 10.855 16.743 -25.575 1.00 0.00 H ATOM 2267 HZ3 LYS A 970 11.353 18.199 -26.295 1.00 0.00 H ATOM 2268 H LYS A 970 5.363 16.658 -29.416 1.00 0.00 H ATOM 2269 N VAL A 971 4.106 13.603 -28.983 1.00 25.03 N ATOM 2270 CA VAL A 971 3.137 12.511 -28.834 1.00 23.55 C ATOM 2271 C VAL A 971 2.598 12.113 -30.226 1.00 31.87 C ATOM 2272 O VAL A 971 2.622 10.930 -30.574 1.00 33.19 O ATOM 2273 CB VAL A 971 2.009 12.854 -27.804 1.00 24.18 C ATOM 2274 CG1 VAL A 971 0.879 11.821 -27.818 1.00 23.89 C ATOM 2275 CG2 VAL A 971 2.582 12.997 -26.395 1.00 22.86 C ATOM 2276 H VAL A 971 3.860 14.537 -28.598 1.00 0.00 H ATOM 2277 N GLU A 972 2.167 13.096 -31.027 1.00 29.30 N ATOM 2278 CA GLU A 972 1.620 12.847 -32.373 1.00 30.33 C ATOM 2279 C GLU A 972 2.638 12.277 -33.379 1.00 36.59 C ATOM 2280 O GLU A 972 2.239 11.528 -34.277 1.00 38.20 O ATOM 2281 CB GLU A 972 0.939 14.095 -32.937 1.00 31.51 C ATOM 2282 CG GLU A 972 -0.260 14.519 -32.111 1.00 35.40 C ATOM 2283 CD GLU A 972 -1.239 15.467 -32.774 1.00 52.27 C ATOM 2284 OE1 GLU A 972 -2.381 15.549 -32.275 1.00 43.75 O ATOM 2285 OE2 GLU A 972 -0.882 16.121 -33.781 1.00 38.90 O ATOM 2286 H GLU A 972 2.221 14.077 -30.685 1.00 0.00 H ATOM 2287 N SER A 973 3.934 12.588 -33.223 1.00 33.30 N ATOM 2288 CA SER A 973 4.961 12.052 -34.135 1.00 34.22 C ATOM 2289 C SER A 973 5.468 10.659 -33.703 1.00 38.96 C ATOM 2290 O SER A 973 6.378 10.115 -34.336 1.00 38.81 O ATOM 2291 CB SER A 973 6.133 13.021 -34.267 1.00 36.84 C ATOM 2292 OG SER A 973 6.843 13.118 -33.044 1.00 42.15 O ATOM 2293 HG SER A 973 6.234 13.446 -32.335 1.00 0.00 H ATOM 2294 H SER A 973 4.219 13.218 -32.446 1.00 0.00 H ATOM 2295 N GLY A 974 4.890 10.119 -32.626 1.00 35.83 N ATOM 2296 CA GLY A 974 5.257 8.823 -32.066 1.00 35.57 C ATOM 2297 C GLY A 974 6.564 8.804 -31.291 1.00 38.82 C ATOM 2298 O GLY A 974 7.179 7.743 -31.158 1.00 38.13 O ATOM 2299 H GLY A 974 4.132 10.656 -32.158 1.00 0.00 H ATOM 2300 N ASN A 975 6.996 9.961 -30.757 1.00 35.79 N ATOM 2301 CA ASN A 975 8.236 10.056 -29.979 1.00 35.99 C ATOM 2302 C ASN A 975 8.027 9.611 -28.524 1.00 40.30 C ATOM 2303 O ASN A 975 8.997 9.279 -27.846 1.00 41.80 O ATOM 2304 CB ASN A 975 8.860 11.461 -30.073 1.00 38.31 C ATOM 2305 CG ASN A 975 10.272 11.542 -29.538 1.00 76.12 C ATOM 2306 OD1 ASN A 975 10.500 11.759 -28.343 1.00 69.49 O ATOM 2307 ND2 ASN A 975 11.251 11.341 -30.407 1.00 74.88 N ATOM 2308 HD22 ASN A 975 11.030 11.161 -31.407 1.00 0.00 H ATOM 2309 HD21 ASN A 975 12.241 11.364 -30.089 1.00 0.00 H ATOM 2310 H ASN A 975 6.429 10.821 -30.901 1.00 0.00 H ATOM 2311 N ALA A 976 6.773 9.565 -28.055 1.00 35.26 N ATOM 2312 CA ALA A 976 6.474 9.137 -26.694 1.00 33.92 C ATOM 2313 C ALA A 976 6.429 7.617 -26.642 1.00 37.59 C ATOM 2314 O ALA A 976 5.864 6.968 -27.534 1.00 40.65 O ATOM 2315 CB ALA A 976 5.164 9.731 -26.218 1.00 34.18 C ATOM 2316 H ALA A 976 5.990 9.843 -28.680 1.00 0.00 H ATOM 2317 N LYS A 977 7.092 7.050 -25.640 1.00 28.43 N ATOM 2318 CA LYS A 977 7.138 5.616 -25.450 1.00 26.47 C ATOM 2319 C LYS A 977 6.515 5.253 -24.096 1.00 27.25 C ATOM 2320 O LYS A 977 7.170 5.400 -23.064 1.00 25.25 O ATOM 2321 CB LYS A 977 8.579 5.067 -25.611 1.00 28.28 C ATOM 2322 CG LYS A 977 8.706 3.547 -25.454 1.00 38.36 C ATOM 2323 CD LYS A 977 10.159 3.086 -25.520 1.00 46.92 C ATOM 2324 CE LYS A 977 10.278 1.606 -25.271 1.00 60.88 C ATOM 2325 NZ LYS A 977 11.624 1.091 -25.634 1.00 74.93 N ATOM 2326 HZ1 LYS A 977 11.801 1.268 -26.643 1.00 0.00 H ATOM 2327 HZ2 LYS A 977 12.345 1.577 -25.064 1.00 0.00 H ATOM 2328 HZ3 LYS A 977 11.665 0.069 -25.448 1.00 0.00 H ATOM 2329 H LYS A 977 7.597 7.660 -24.966 1.00 0.00 H ATOM 2330 N PRO A 978 5.250 4.783 -24.074 1.00 24.31 N ATOM 2331 CA PRO A 978 4.669 4.329 -22.799 1.00 22.80 C ATOM 2332 C PRO A 978 5.374 3.035 -22.350 1.00 24.63 C ATOM 2333 O PRO A 978 5.609 2.135 -23.169 1.00 24.34 O ATOM 2334 CB PRO A 978 3.194 4.058 -23.159 1.00 25.18 C ATOM 2335 CG PRO A 978 3.220 3.694 -24.603 1.00 30.34 C ATOM 2336 CD PRO A 978 4.328 4.541 -25.210 1.00 26.18 C ATOM 2337 N LEU A 979 5.733 2.952 -21.065 1.00 18.37 N ATOM 2338 CA LEU A 979 6.386 1.787 -20.474 1.00 18.03 C ATOM 2339 C LEU A 979 5.311 0.960 -19.774 1.00 22.76 C ATOM 2340 O LEU A 979 4.594 1.467 -18.913 1.00 23.43 O ATOM 2341 CB LEU A 979 7.482 2.174 -19.460 1.00 17.54 C ATOM 2342 CG LEU A 979 8.680 2.997 -19.981 1.00 21.19 C ATOM 2343 CD1 LEU A 979 9.632 3.312 -18.845 1.00 21.58 C ATOM 2344 CD2 LEU A 979 9.424 2.280 -21.122 1.00 25.19 C ATOM 2345 H LEU A 979 5.535 3.766 -20.449 1.00 0.00 H ATOM 2346 N TYR A 980 5.174 -0.284 -20.199 1.00 18.81 N ATOM 2347 CA TYR A 980 4.199 -1.219 -19.662 1.00 18.78 C ATOM 2348 C TYR A 980 4.869 -2.262 -18.805 1.00 22.94 C ATOM 2349 O TYR A 980 5.921 -2.768 -19.177 1.00 23.76 O ATOM 2350 CB TYR A 980 3.497 -1.956 -20.834 1.00 20.44 C ATOM 2351 CG TYR A 980 2.327 -1.193 -21.404 1.00 23.87 C ATOM 2352 CD1 TYR A 980 2.515 -0.192 -22.356 1.00 25.96 C ATOM 2353 CD2 TYR A 980 1.021 -1.494 -21.019 1.00 25.76 C ATOM 2354 CE1 TYR A 980 1.433 0.532 -22.867 1.00 26.16 C ATOM 2355 CE2 TYR A 980 -0.067 -0.788 -21.531 1.00 26.72 C ATOM 2356 CZ TYR A 980 0.144 0.222 -22.456 1.00 32.69 C ATOM 2357 OH TYR A 980 -0.942 0.890 -22.960 1.00 36.14 O ATOM 2358 HH TYR A 980 -0.636 1.577 -23.604 1.00 0.00 H ATOM 2359 H TYR A 980 5.800 -0.613 -20.962 1.00 0.00 H ATOM 2360 N PHE A 981 4.229 -2.655 -17.693 1.00 19.77 N ATOM 2361 CA PHE A 981 4.725 -3.784 -16.917 1.00 20.59 C ATOM 2362 C PHE A 981 4.469 -5.070 -17.719 1.00 21.86 C ATOM 2363 O PHE A 981 5.285 -5.993 -17.701 1.00 21.73 O ATOM 2364 CB PHE A 981 3.993 -3.893 -15.568 1.00 22.48 C ATOM 2365 CG PHE A 981 4.454 -2.836 -14.602 1.00 24.71 C ATOM 2366 CD1 PHE A 981 5.592 -3.032 -13.822 1.00 29.44 C ATOM 2367 CD2 PHE A 981 3.776 -1.632 -14.493 1.00 26.91 C ATOM 2368 CE1 PHE A 981 6.030 -2.039 -12.940 1.00 29.64 C ATOM 2369 CE2 PHE A 981 4.243 -0.627 -13.641 1.00 30.65 C ATOM 2370 CZ PHE A 981 5.368 -0.838 -12.877 1.00 28.31 C ATOM 2371 H PHE A 981 3.374 -2.151 -17.383 1.00 0.00 H ATOM 2372 N HIS A 982 3.318 -5.127 -18.404 1.00 17.37 N ATOM 2373 CA HIS A 982 2.865 -6.308 -19.122 1.00 19.14 C ATOM 2374 C HIS A 982 2.371 -5.900 -20.485 1.00 29.34 C ATOM 2375 O HIS A 982 1.293 -5.313 -20.596 1.00 31.06 O ATOM 2376 CB HIS A 982 1.739 -6.992 -18.315 1.00 19.14 C ATOM 2377 CG HIS A 982 2.037 -7.082 -16.850 1.00 21.26 C ATOM 2378 ND1 HIS A 982 3.033 -7.908 -16.369 1.00 22.61 N ATOM 2379 CD2 HIS A 982 1.493 -6.400 -15.811 1.00 21.96 C ATOM 2380 CE1 HIS A 982 3.047 -7.734 -15.052 1.00 22.36 C ATOM 2381 NE2 HIS A 982 2.142 -6.836 -14.669 1.00 21.79 N ATOM 2382 H HIS A 982 2.715 -4.280 -18.423 1.00 0.00 H ATOM 2383 N ARG A 983 3.181 -6.140 -21.504 1.00 29.09 N ATOM 2384 CA ARG A 983 2.874 -5.786 -22.895 1.00 31.78 C ATOM 2385 C ARG A 983 1.525 -6.387 -23.324 1.00 37.93 C ATOM 2386 O ARG A 983 1.292 -7.581 -23.131 1.00 36.94 O ATOM 2387 CB ARG A 983 3.997 -6.269 -23.832 1.00 36.56 C ATOM 2388 CG ARG A 983 5.274 -5.442 -23.729 1.00 54.34 C ATOM 2389 CD ARG A 983 6.466 -6.243 -24.228 1.00 73.57 C ATOM 2390 NE ARG A 983 7.731 -5.534 -24.029 1.00 86.89 N ATOM 2391 CZ ARG A 983 8.327 -4.785 -24.951 1.00105.39 C ATOM 2392 NH1 ARG A 983 9.475 -4.177 -24.680 1.00 95.38 N ATOM 2393 NH2 ARG A 983 7.779 -4.636 -26.152 1.00 93.71 N ATOM 2394 HE ARG A 983 8.195 -5.622 -23.103 1.00 0.00 H ATOM 2395 HH12 ARG A 983 9.937 -3.592 -25.405 1.00 0.00 H ATOM 2396 HH11 ARG A 983 9.912 -4.286 -23.743 1.00 0.00 H ATOM 2397 HH22 ARG A 983 8.250 -4.049 -26.869 1.00 0.00 H ATOM 2398 HH21 ARG A 983 6.879 -5.107 -26.375 1.00 0.00 H ATOM 2399 H ARG A 983 4.089 -6.607 -21.307 1.00 0.00 H ATOM 2400 N LYS A 984 0.623 -5.531 -23.846 1.00 36.10 N ATOM 2401 CA LYS A 984 -0.714 -5.945 -24.293 1.00 52.46 C ATOM 2402 C LYS A 984 -0.670 -6.559 -25.693 1.00 78.48 C ATOM 2403 O LYS A 984 0.375 -6.525 -26.339 1.00 47.40 O ATOM 2404 CB LYS A 984 -1.719 -4.777 -24.211 1.00 54.32 C ATOM 2405 CG LYS A 984 -1.377 -3.582 -25.092 1.00 65.11 C ATOM 2406 CD LYS A 984 -2.164 -2.344 -24.717 1.00 73.17 C ATOM 2407 CE LYS A 984 -1.718 -1.171 -25.551 1.00 80.30 C ATOM 2408 NZ LYS A 984 -2.455 0.063 -25.192 1.00 88.83 N ATOM 2409 HZ1 LYS A 984 -3.473 -0.084 -25.348 1.00 0.00 H ATOM 2410 HZ2 LYS A 984 -2.286 0.287 -24.191 1.00 0.00 H ATOM 2411 HZ3 LYS A 984 -2.122 0.849 -25.786 1.00 0.00 H ATOM 2412 H LYS A 984 0.887 -4.529 -23.937 1.00 0.00 H TER 2413 LYS A 984 HETATM 2414 O HOH 1 3.649 11.588 -2.554 1.00 16.59 O HETATM 2415 O HOH 2 -28.537 18.250 -18.768 1.00 27.97 O HETATM 2416 O HOH 3 3.429 8.784 -17.852 1.00 38.48 O HETATM 2417 O HOH 4 -15.171 17.613 0.629 1.00 30.79 O HETATM 2418 O HOH 5 -3.051 13.034 -4.091 1.00 30.08 O HETATM 2419 O HOH 6 -0.472 -0.550 2.161 1.00 26.40 O HETATM 2420 O HOH 7 19.138 7.156 -10.367 1.00 28.35 O HETATM 2421 O HOH 8 -1.241 -4.527 -20.318 1.00 32.83 O HETATM 2422 O HOH 9 -0.690 -7.609 -14.038 1.00 31.11 O HETATM 2423 O HOH 10 10.135 21.399 -3.509 1.00 26.56 O HETATM 2424 O HOH 11 6.236 29.774 -21.225 1.00 43.24 O HETATM 2425 O HOH 12 6.859 9.766 -17.719 1.00 15.16 O HETATM 2426 O HOH 13 -14.964 28.164 -6.261 1.00 20.32 O HETATM 2427 O HOH 14 -5.603 15.842 -10.403 1.00 16.32 O HETATM 2428 O HOH 15 -18.291 21.251 -4.250 1.00 32.78 O HETATM 2429 O HOH 16 14.896 14.717 -5.410 1.00 29.31 O HETATM 2430 O HOH 17 -7.804 1.805 -19.480 1.00 40.22 O HETATM 2431 O HOH 18 8.001 19.521 -29.360 1.00 35.97 O HETATM 2432 O HOH 19 4.116 15.760 -34.690 1.00 39.90 O HETATM 2433 O HOH 20 -8.070 19.590 -6.551 1.00 20.07 O HETATM 2434 O HOH 21 2.596 14.638 7.160 1.00 48.28 O HETATM 2435 O HOH 22 8.138 23.266 -20.755 1.00 33.97 O HETATM 2436 O HOH 23 -5.041 -1.526 -21.592 1.00 39.44 O HETATM 2437 O HOH 24 17.423 10.267 -16.319 1.00 26.69 O HETATM 2438 O HOH 25 3.964 15.504 -14.603 1.00 26.74 O HETATM 2439 O HOH 26 -4.092 13.719 -31.277 1.00 32.02 O HETATM 2440 O HOH 27 -3.367 15.789 -0.614 1.00 36.45 O HETATM 2441 O HOH 28 -0.008 2.703 -24.727 1.00 50.10 O HETATM 2442 O HOH 29 -6.251 -4.434 -11.478 1.00 32.73 O HETATM 2443 O HOH 30 -0.154 -2.944 0.835 1.00 38.84 O HETATM 2444 O HOH 31 1.290 14.885 2.822 1.00 53.37 O HETATM 2445 O HOH 32 7.885 -0.301 0.346 1.00 29.46 O HETATM 2446 O HOH 33 -14.416 1.566 -0.193 1.00 33.39 O HETATM 2447 O HOH 34 7.060 -4.368 -21.045 1.00 42.04 O HETATM 2448 O HOH 35 0.824 6.496 -17.624 1.00 26.30 O HETATM 2449 O HOH 36 -22.003 19.112 -8.979 1.00 42.84 O HETATM 2450 O HOH 37 -7.949 28.112 -18.004 1.00 30.32 O HETATM 2451 O HOH 38 -3.758 27.896 -13.479 1.00 23.33 O HETATM 2452 O HOH 39 -1.293 -5.030 -17.744 1.00 35.30 O HETATM 2453 O HOH 40 -13.831 -0.494 -12.865 1.00 39.98 O HETATM 2454 O HOH 41 3.689 19.959 -4.070 1.00 31.40 O HETATM 2455 O HOH 42 -6.048 7.851 -28.075 1.00 50.08 O HETATM 2456 O HOH 43 19.012 7.233 -24.414 1.00 40.62 O HETATM 2457 O HOH 44 0.395 9.493 5.809 1.00 56.12 O HETATM 2458 O HOH 45 -9.745 30.604 -17.295 1.00 40.92 O HETATM 2459 O HOH 46 1.571 17.039 -34.529 1.00 39.57 O HETATM 2460 O HOH 47 3.530 8.855 -29.056 1.00 40.36 O HETATM 2461 O HOH 48 -15.569 8.640 -9.532 1.00 37.39 O HETATM 2462 O HOH 49 0.697 11.434 -19.191 1.00 34.02 O HETATM 2463 O HOH 50 17.141 -1.966 -13.661 1.00 47.68 O HETATM 2464 O HOH 51 -0.318 25.336 -7.158 1.00 27.42 O HETATM 2465 O HOH 52 13.868 -0.088 -3.223 1.00 51.20 O HETATM 2466 O HOH 53 -24.545 9.373 -4.699 1.00 69.88 O HETATM 2467 O HOH 54 5.212 18.580 -1.982 1.00 31.59 O HETATM 2468 O HOH 55 11.228 18.184 -23.379 1.00 51.67 O HETATM 2469 O HOH 56 6.824 24.964 -25.112 1.00 36.06 O HETATM 2470 O HOH 57 -17.157 16.503 -27.108 1.00 41.37 O HETATM 2471 O HOH 58 3.478 29.539 -21.899 1.00 39.66 O HETATM 2472 O HOH 59 20.472 1.304 -14.320 1.00 29.17 O HETATM 2473 O HOH 60 -6.301 15.446 -30.998 1.00 27.01 O HETATM 2474 O HOH 61 -3.378 18.406 -5.959 1.00 33.68 O HETATM 2475 O HOH 62 -22.079 6.958 -8.601 1.00 40.57 O HETATM 2476 O HOH 63 21.901 16.231 -8.636 1.00 33.00 O HETATM 2477 O HOH 64 8.406 -2.294 -17.135 1.00 44.93 O HETATM 2478 O HOH 65 -5.880 -7.662 -3.476 1.00 39.31 O HETATM 2479 O HOH 66 -26.088 23.849 -14.925 1.00 59.34 O HETATM 2480 O HOH 67 -23.132 14.103 -23.579 1.00 33.40 O HETATM 2481 O HOH 68 15.110 13.904 -22.012 1.00 23.05 O HETATM 2482 O HOH 69 3.446 9.991 -4.797 1.00 21.24 O HETATM 2483 O HOH 70 2.674 12.128 -22.879 1.00 22.37 O HETATM 2484 O HOH 71 2.520 1.133 -16.674 1.00 22.93 O HETATM 2485 O HOH 72 0.063 7.432 -20.203 1.00 48.93 O HETATM 2486 O HOH 73 10.264 10.240 -32.782 1.00 57.11 O HETATM 2487 O HOH 74 -5.646 19.096 -7.247 1.00 39.29 O HETATM 2488 O HOH 75 -24.049 21.885 -12.950 1.00 43.36 O HETATM 2489 O HOH 76 -10.468 11.238 -26.904 1.00 26.39 O HETATM 2490 O HOH 77 13.137 9.913 -28.890 1.00 48.88 O HETATM 2491 O HOH 78 -8.203 24.710 2.760 1.00 37.39 O HETATM 2492 O HOH 79 -22.542 24.436 -9.954 1.00 44.94 O HETATM 2493 O HOH 80 11.320 13.576 -26.354 1.00 40.81 O HETATM 2494 O HOH 81 -4.734 4.047 3.281 1.00 23.96 O HETATM 2495 O HOH 82 -5.888 30.306 -23.455 1.00 27.20 O HETATM 2496 O HOH 83 20.139 17.166 -11.807 1.00 38.49 O HETATM 2497 O HOH 84 10.929 8.498 6.071 1.00 39.44 O HETATM 2498 O HOH 85 -3.800 -3.412 -17.864 1.00 30.37 O HETATM 2499 O HOH 86 1.023 3.775 -16.978 1.00 33.52 O HETATM 2500 O HOH 87 -10.625 18.082 0.011 1.00 26.75 O HETATM 2501 O HOH 88 17.777 8.176 -8.403 1.00 35.63 O HETATM 2502 O HOH 89 -15.324 29.083 -13.340 1.00 34.36 O HETATM 2503 O HOH 90 -16.502 19.711 -0.756 1.00 35.89 O HETATM 2504 O HOH 91 23.286 12.643 -10.422 1.00 32.09 O HETATM 2505 O HOH 92 11.325 15.450 -24.364 1.00 44.96 O HETATM 2506 O HOH 93 -0.296 -9.876 -23.823 1.00 21.67 O HETATM 2507 O HOH 94 -6.143 26.383 -4.124 1.00 29.39 O HETATM 2508 O HOH 95 -5.351 24.388 -0.009 1.00 50.17 O HETATM 2509 O HOH 96 17.330 11.933 -3.537 1.00 33.52 O HETATM 2510 O HOH 97 13.579 18.073 -22.019 1.00 29.97 O HETATM 2511 O HOH 98 22.540 7.314 -16.556 1.00 22.39 O HETATM 2512 O HOH 99 -21.478 24.421 -23.890 1.00 33.62 O HETATM 2513 O HOH 100 -13.735 5.802 0.567 1.00 37.55 O HETATM 2514 O HOH 101 23.159 10.519 -23.590 1.00 50.90 O HETATM 2515 O HOH 102 0.839 13.929 -19.965 1.00 33.43 O HETATM 2516 O HOH 103 -5.215 11.737 0.678 1.00 37.89 O HETATM 2517 O HOH 104 -0.704 9.322 -25.648 1.00 35.79 O HETATM 2518 O HOH 105 -0.354 6.972 -22.855 1.00 48.20 O HETATM 2519 O HOH 106 18.870 4.649 -6.519 1.00 50.49 O HETATM 2520 O HOH 107 -8.970 34.346 -23.526 1.00 49.02 O HETATM 2521 O HOH 108 -2.150 18.895 -13.969 1.00 37.79 O HETATM 2522 O HOH 109 21.742 7.389 -21.363 1.00 32.89 O HETATM 2523 O HOH 110 -19.198 20.991 -6.805 1.00 26.89 O HETATM 2524 O HOH 111 -6.324 -3.010 1.340 1.00 38.02 O HETATM 2525 O HOH 112 -13.008 13.031 3.243 1.00 39.41 O HETATM 2526 O HOH 113 -2.334 -11.040 -2.919 1.00 34.66 O HETATM 2527 O HOH 114 -10.926 3.554 -18.192 1.00 42.29 O HETATM 2528 O HOH 115 -26.689 15.249 -12.378 1.00 26.51 O HETATM 2529 O HOH 116 -3.686 -11.052 -9.681 1.00 42.01 O HETATM 2530 O HOH 117 -4.843 14.803 -5.077 1.00 21.69 O HETATM 2531 O HOH 118 -2.639 10.793 -27.156 1.00 45.32 O HETATM 2532 O HOH 119 13.491 0.187 -14.797 1.00 44.09 O HETATM 2533 O HOH 120 1.894 -2.873 -24.414 1.00 45.85 O HETATM 2534 O HOH 121 22.737 5.892 -19.320 1.00 40.34 O HETATM 2535 O HOH 122 6.814 -1.217 -22.546 1.00 35.54 O HETATM 2536 O HOH 123 -21.043 10.338 -10.959 1.00 45.47 O HETATM 2537 O HOH 124 13.232 1.487 -19.752 1.00 34.94 O HETATM 2538 O HOH 125 -19.839 14.731 -23.785 1.00 35.57 O HETATM 2539 O HOH 126 8.688 15.809 -23.392 1.00 49.69 O HETATM 2540 O HOH 127 -25.688 20.340 -11.418 1.00 34.15 O HETATM 2541 O HOH 128 5.849 -7.289 -20.513 1.00 30.55 O HETATM 2542 O HOH 129 -15.838 12.108 -23.939 1.00 27.01 O HETATM 2543 O HOH 130 -0.907 16.602 2.527 1.00 47.16 O HETATM 2544 O HOH 131 -28.145 21.925 -19.185 1.00 47.95 O HETATM 2545 O HOH 132 -13.830 29.479 -16.623 1.00 35.11 O HETATM 2546 O HOH 133 -18.970 27.665 -15.441 1.00 39.23 O HETATM 2547 O HOH 134 -9.846 -5.863 -1.883 1.00 47.08 O HETATM 2548 O HOH 135 -18.570 12.099 -24.759 1.00 31.05 O HETATM 2549 O HOH 136 -16.322 -1.103 -7.324 1.00 47.38 O HETATM 2550 O HOH 137 -4.578 18.063 1.477 1.00 48.18 O HETATM 2551 O HOH 138 1.555 22.244 -2.500 1.00 40.31 O HETATM 2552 O HOH 139 16.484 18.410 -8.582 1.00 42.85 O HETATM 2553 O HOH 140 -7.041 3.909 -25.740 1.00 50.61 O HETATM 2554 O HOH 141 7.086 -1.343 2.727 1.00 47.89 O HETATM 2555 O HOH 142 -23.680 26.806 -6.258 1.00 50.77 O HETATM 2556 O HOH 143 -14.564 -3.517 -1.562 1.00 51.30 O HETATM 2557 O HOH 144 -25.201 7.825 -11.513 1.00 53.08 O HETATM 2558 O HOH 145 -7.110 16.076 1.959 1.00 52.96 O HETATM 2559 O HOH 146 -6.150 29.795 -16.949 1.00 45.58 O HETATM 2560 O HOH 147 -4.011 -9.476 -12.409 1.00 49.16 O HETATM 2561 O HOH 148 -1.067 27.817 -13.578 1.00 31.45 O HETATM 2562 O HOH 149 11.606 20.648 -24.458 1.00 50.96 O HETATM 2563 O HOH 150 -19.477 15.046 -26.463 1.00 44.67 O HETATM 2564 O HOH 151 15.851 13.093 -24.496 1.00 51.48 O HETATM 2565 O HOH 152 1.623 16.228 5.160 1.00 47.53 O HETATM 2566 O HOH 153 -2.966 -2.415 -20.227 1.00 35.62 O HETATM 2567 O HOH 154 -23.811 3.617 -19.318 1.00 49.24 O HETATM 2568 O HOH 155 18.143 12.271 -25.703 1.00 51.77 O HETATM 2569 O HOH 156 13.740 14.705 -25.382 1.00 47.95 O HETATM 2570 O HOH 157 -8.803 -7.287 -3.971 1.00 58.84 O HETATM 2571 O HOH 158 16.590 6.205 -6.921 1.00 42.01 O HETATM 2572 O HOH 159 1.082 -9.934 -28.233 1.00 52.93 O HETATM 2573 O HOH 160 -15.461 -2.715 -9.954 1.00 62.22 O HETATM 2574 O HOH 161 -16.387 13.913 -27.588 1.00 62.35 O HETATM 2575 O HOH 162 -11.515 17.067 3.346 1.00 33.98 O HETATM 2576 O HOH 163 -3.369 13.070 -0.813 1.00 46.81 O HETATM 2577 O HOH 164 -7.100 -0.950 -19.939 1.00 62.63 O HETATM 2578 O HOH 165 -2.270 -19.330 -4.976 1.00 40.55 O HETATM 2579 O HOH 166 -24.336 8.635 -7.437 1.00 47.20 O HETATM 2580 O HOH 167 18.847 4.438 -24.165 1.00 53.81 O HETATM 2581 O HOH 168 14.790 12.148 -27.613 1.00 68.14 O HETATM 2582 O HOH 169 1.636 31.371 -22.629 1.00 31.61 O HETATM 2583 O HOH 170 9.611 23.986 -4.037 1.00 38.75 O HETATM 2584 O HOH 171 -3.095 11.821 -29.597 1.00 42.90 O HETATM 2585 O HOH 172 14.744 20.503 -21.802 1.00 34.87 O HETATM 2586 O HOH 173 -9.171 17.845 2.248 1.00 44.33 O HETATM 2587 O HOH 174 -22.338 11.748 -24.586 1.00 49.40 O HETATM 2588 O HOH 175 -5.050 -6.916 -19.394 1.00 54.92 O HETATM 2589 O HOH 176 1.856 9.825 -24.237 1.00 35.10 O HETATM 2590 O HOH 177 -24.517 25.105 -23.223 1.00 54.82 O HETATM 2591 O HOH 178 -5.539 27.244 -1.707 1.00 39.79 O HETATM 2592 O HOH 179 15.689 20.235 -10.385 1.00 27.57 O HETATM 2593 O HOH 180 11.029 23.229 -20.669 1.00 37.58 O HETATM 2594 O HOH 181 14.070 25.128 -4.184 1.00 49.07 O HETATM 2595 O HOH 182 15.094 29.803 -11.551 1.00 46.65 O HETATM 2596 O HOH 183 18.745 27.111 -20.331 1.00 50.59 O HETATM 2597 O HOH 184 17.165 23.091 -7.464 1.00 52.34 O HETATM 2598 O HOH 185 16.600 21.890 -20.226 1.00 43.41 O HETATM 2599 O HOH 186 12.865 22.358 -22.466 1.00 40.35 O HETATM 2600 O4 EY A 8 -9.080 18.371 -14.159 1.00 -0.16 O HETATM 2601 S2 EY A 8 -8.003 17.899 -13.318 1.00 0.04 S HETATM 2602 N1 EY A 8 -6.561 18.711 -13.703 1.00 -0.27 N HETATM 2603 H10 EY A 8 -6.297 18.835 -14.659 1.00 0.16 H HETATM 2604 H11 EY A 8 -5.976 19.065 -12.973 1.00 0.16 H HETATM 2605 O3 EY A 8 -8.104 17.882 -11.864 1.00 -0.16 O HETATM 2606 C5 EY A 8 -7.610 16.225 -13.776 1.00 0.11 C HETATM 2607 C6 EY A 8 -7.144 16.078 -15.214 1.00 0.11 C HETATM 2608 C7 EY A 8 -6.737 14.642 -15.506 1.00 0.10 C HETATM 2609 O8 EY A 8 -7.858 13.746 -15.467 1.00 -0.32 O HETATM 2610 C9 EY A 8 -9.021 14.257 -16.057 1.00 0.11 C HETATM 2611 C10 EY A 8 -10.054 13.352 -16.234 1.00 -0.01 C HETATM 2612 C11 EY A 8 -11.239 13.802 -16.781 1.00 0.11 C HETATM 2613 C13 EY A 8 -11.409 15.122 -17.142 1.00 -0.05 C HETATM 2614 C14 EY A 8 -10.382 16.023 -16.960 1.00 -0.05 C HETATM 2615 C15 EY A 8 -9.182 15.589 -16.423 1.00 0.10 C HETATM 2616 N16 EY A 8 -8.097 16.483 -16.232 1.00 -0.22 N HETATM 2617 C17 EY A 8 -7.666 17.500 -17.109 1.00 0.22 C HETATM 2618 C19 EY A 8 -8.084 17.585 -18.535 1.00 0.03 C HETATM 2619 C20 EY A 8 -8.156 16.479 -19.375 1.00 -0.07 C HETATM 2620 C21 EY A 8 -8.522 16.635 -20.703 1.00 -0.04 C HETATM 2621 C22 EY A 8 -8.800 17.913 -21.177 1.00 0.12 C HETATM 2622 O23 EY A 8 -9.158 18.098 -22.507 1.00 -0.30 O HETATM 2623 C24 EY A 8 -10.088 19.209 -22.659 1.00 0.16 C HETATM 2624 C25 EY A 8 -9.527 20.484 -22.082 1.00 0.23 C HETATM 2625 O26 EY A 8 -9.604 21.572 -22.645 1.00 -0.38 O HETATM 2626 N27 EY A 8 -8.963 20.299 -20.851 1.00 -0.23 N HETATM 2627 C28 EY A 8 -8.714 19.008 -20.339 1.00 0.10 C HETATM 2628 C29 EY A 8 -8.364 18.853 -19.011 1.00 -0.03 C HETATM 2629 H16 EY A 8 -8.310 19.712 -18.352 1.00 0.05 H HETATM 2630 H15 EY A 8 -8.721 21.098 -20.300 1.00 0.22 H HETATM 2631 H8 EY A 8 -11.026 18.964 -22.139 1.00 0.09 H HETATM 2632 H9 EY A 8 -10.291 19.361 -23.729 1.00 0.09 H HETATM 2633 H7 EY A 8 -8.590 15.776 -21.361 1.00 0.05 H HETATM 2634 H6 EY A 8 -7.925 15.492 -18.990 1.00 0.05 H HETATM 2635 O18 EY A 8 -6.849 18.353 -16.765 1.00 -0.38 O HETATM 2636 H5 EY A 8 -10.513 17.063 -17.235 1.00 0.05 H HETATM 2637 H4 EY A 8 -12.350 15.451 -17.569 1.00 0.05 H HETATM 2638 F12 EY A 8 -12.256 12.930 -16.957 1.00 -0.20 F HETATM 2639 H3 EY A 8 -9.935 12.313 -15.949 1.00 0.05 H HETATM 2640 H1 EY A 8 -6.000 14.322 -14.754 1.00 0.06 H HETATM 2641 H2 EY A 8 -6.282 14.598 -16.507 1.00 0.06 H HETATM 2642 H14 EY A 8 -6.256 16.718 -15.325 1.00 0.07 H HETATM 2643 H12 EY A 8 -8.509 15.607 -13.638 1.00 0.05 H HETATM 2644 H13 EY A 8 -6.811 15.862 -13.113 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1724 1725 1731 1732 1733 CONECT 1731 1724 CONECT 1732 1724 CONECT 1733 1724 CONECT 2600 2601 CONECT 2601 2600 2602 2605 2606 CONECT 2602 2601 2603 2604 CONECT 2603 2602 CONECT 2604 2602 CONECT 2605 2601 CONECT 2606 2601 2607 2643 2644 CONECT 2607 2606 2608 2616 2642 CONECT 2608 2607 2609 2640 2641 CONECT 2609 2608 2610 CONECT 2610 2609 2611 2615 CONECT 2611 2610 2612 2639 CONECT 2612 2611 2613 2638 CONECT 2613 2612 2614 2637 CONECT 2614 2613 2615 2636 CONECT 2615 2610 2614 2616 CONECT 2616 2607 2615 2617 CONECT 2617 2616 2618 2635 CONECT 2618 2617 2619 2628 CONECT 2619 2618 2620 2634 CONECT 2620 2619 2621 2633 CONECT 2621 2620 2622 2627 CONECT 2622 2621 2623 CONECT 2623 2622 2624 2631 2632 CONECT 2624 2623 2625 2626 CONECT 2625 2624 CONECT 2626 2624 2627 2630 CONECT 2627 2621 2626 2628 CONECT 2628 2618 2627 2629 CONECT 2629 2628 CONECT 2630 2626 CONECT 2631 2623 CONECT 2632 2623 CONECT 2633 2620 CONECT 2634 2619 CONECT 2635 2617 CONECT 2636 2614 CONECT 2637 2613 CONECT 2638 2612 CONECT 2639 2611 CONECT 2640 2608 CONECT 2641 2608 CONECT 2642 2607 CONECT 2643 2606 CONECT 2644 2606 MASTER 0 0 0 0 0 0 0 0 2642 2 53 20 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6gg8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mineralocorticoid receptor
Ligand Name
EY8
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.79nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 1385-1406
Ligand Properties
Formula
C
1
8
H
1
6
FN
3
O
6
S
Molecular Weight
421.400
Exact Mass
421.074
No. of atoms
45
No. of bonds
48
Polar Surface Area
136.41
LOGP Value
0.51 (
Computed with XLOGP3
)
2.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=C1COc2c(N1)cc(cc2)C(=O)N1[C@H](COc2c1ccc(c2)F)CS(=O)(=O)N
InChI String
InChI=1S/C18H16FN3O6S/c19-11-2-3-14-16(6-11)27-7-12(9-29(20,25)26)22(14)18(24)10-1-4-15-13(5-10)21-17(23)8-28-15/h1-6,12H,7-9H2,(H,21,23)(H2,20,25,26)/t12-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08235
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
4306
8648
ASD
Information of known allosteric effects of PDB entries
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