Browse entries in the PDBbind-CN Database
HEADER 5MWP_COMPLEX COMPND 5MWP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 TYR PHE SEQRES 1 A 173 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 173 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 173 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 173 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 173 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 173 ILE GLN TYR SER TRP MET SER LEU SER SER PHE ALA LEU SEQRES 7 A 173 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 173 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 173 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 173 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 173 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 173 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 173 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 173 MET VAL THR LYS 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 ECV A 374 47 ATOM 1 N TYR A 731 -20.556 2.122 2.824 1.00 34.36 N ATOM 2 CA TYR A 731 -19.914 3.254 3.495 1.00 33.26 C ATOM 3 C TYR A 731 -19.250 4.221 2.512 1.00 34.97 C ATOM 4 O TYR A 731 -19.436 5.433 2.643 1.00 33.65 O ATOM 5 CB TYR A 731 -18.908 2.774 4.566 1.00 33.90 C ATOM 6 CG TYR A 731 -18.332 3.897 5.405 1.00 34.72 C ATOM 7 CD1 TYR A 731 -19.090 4.511 6.398 1.00 36.64 C ATOM 8 CD2 TYR A 731 -17.027 4.343 5.209 1.00 34.90 C ATOM 9 CE1 TYR A 731 -18.574 5.556 7.159 1.00 37.44 C ATOM 10 CE2 TYR A 731 -16.496 5.385 5.969 1.00 35.25 C ATOM 11 CZ TYR A 731 -17.276 5.989 6.943 1.00 43.57 C ATOM 12 OH TYR A 731 -16.778 7.025 7.687 1.00 45.79 O ATOM 13 HH TYR A 731 -17.467 7.330 8.328 1.00 0.00 H ATOM 14 HN3 TYR A 731 -19.843 1.591 2.285 1.00 0.00 H ATOM 15 HN2 TYR A 731 -21.290 2.475 2.177 1.00 0.00 H ATOM 16 HN1 TYR A 731 -20.989 1.499 3.535 1.00 0.00 H ATOM 17 N PHE A 732 -18.480 3.687 1.533 1.00 30.99 N ATOM 18 CA PHE A 732 -17.776 4.493 0.529 1.00 38.15 C ATOM 19 C PHE A 732 -18.550 4.565 -0.794 1.00 80.71 C ATOM 20 O PHE A 732 -18.325 5.471 -1.598 1.00 44.69 O ATOM 21 CB PHE A 732 -16.346 3.970 0.293 1.00 38.50 C ATOM 22 CG PHE A 732 -15.404 4.060 1.473 1.00 37.97 C ATOM 23 CD1 PHE A 732 -14.955 5.294 1.936 1.00 39.44 C ATOM 24 CD2 PHE A 732 -14.917 2.910 2.082 1.00 38.83 C ATOM 25 CE1 PHE A 732 -14.069 5.374 3.017 1.00 39.06 C ATOM 26 CE2 PHE A 732 -14.024 2.992 3.158 1.00 40.22 C ATOM 27 CZ PHE A 732 -13.609 4.224 3.619 1.00 37.44 C ATOM 28 H PHE A 732 -18.383 2.652 1.491 1.00 0.00 H TER 29 PHE A 732 ATOM 30 N SER A 737 -12.637 4.665 -5.268 1.00 38.19 N ATOM 31 CA SER A 737 -11.758 4.178 -4.208 1.00 36.81 C ATOM 32 C SER A 737 -11.292 5.317 -3.289 1.00 35.79 C ATOM 33 O SER A 737 -10.700 6.291 -3.775 1.00 34.74 O ATOM 34 CB SER A 737 -10.553 3.444 -4.794 1.00 42.03 C ATOM 35 OG SER A 737 -9.738 2.886 -3.773 1.00 53.61 O ATOM 36 HG SER A 737 -8.968 2.419 -4.185 1.00 0.00 H ATOM 37 HN3 SER A 737 -12.128 5.365 -5.845 1.00 0.00 H ATOM 38 HN2 SER A 737 -13.477 5.109 -4.844 1.00 0.00 H ATOM 39 HN1 SER A 737 -12.930 3.867 -5.867 1.00 0.00 H ATOM 40 N PRO A 738 -11.519 5.196 -1.957 1.00 29.71 N ATOM 41 CA PRO A 738 -11.071 6.259 -1.035 1.00 28.33 C ATOM 42 C PRO A 738 -9.555 6.434 -0.954 1.00 29.18 C ATOM 43 O PRO A 738 -9.108 7.523 -0.593 1.00 27.96 O ATOM 44 CB PRO A 738 -11.661 5.835 0.315 1.00 30.45 C ATOM 45 CG PRO A 738 -11.821 4.347 0.207 1.00 35.20 C ATOM 46 CD PRO A 738 -12.212 4.112 -1.226 1.00 31.44 C ATOM 47 N VAL A 739 -8.765 5.393 -1.317 1.00 23.82 N ATOM 48 CA VAL A 739 -7.295 5.477 -1.291 1.00 22.90 C ATOM 49 C VAL A 739 -6.785 6.426 -2.384 1.00 24.24 C ATOM 50 O VAL A 739 -5.792 7.119 -2.169 1.00 21.99 O ATOM 51 CB VAL A 739 -6.585 4.096 -1.326 1.00 27.62 C ATOM 52 CG1 VAL A 739 -5.102 4.233 -0.937 1.00 27.16 C ATOM 53 CG2 VAL A 739 -7.291 3.100 -0.406 1.00 27.59 C ATOM 54 H VAL A 739 -9.212 4.506 -1.624 1.00 0.00 H ATOM 55 N MET A 740 -7.472 6.449 -3.546 1.00 20.73 N ATOM 56 CA MET A 740 -7.171 7.343 -4.670 1.00 21.06 C ATOM 57 C MET A 740 -7.369 8.786 -4.188 1.00 18.71 C ATOM 58 O MET A 740 -6.567 9.655 -4.523 1.00 18.26 O ATOM 59 CB MET A 740 -8.108 7.059 -5.840 1.00 25.56 C ATOM 60 CG MET A 740 -7.492 6.241 -6.945 1.00 31.93 C ATOM 61 SD MET A 740 -8.748 5.583 -8.084 1.00 39.46 S ATOM 62 CE MET A 740 -9.488 7.085 -8.683 1.00 36.41 C ATOM 63 H MET A 740 -8.268 5.788 -3.652 1.00 0.00 H ATOM 64 N VAL A 741 -8.410 9.017 -3.357 1.00 12.03 N ATOM 65 CA VAL A 741 -8.699 10.319 -2.755 1.00 10.70 C ATOM 66 C VAL A 741 -7.547 10.697 -1.794 1.00 12.73 C ATOM 67 O VAL A 741 -7.022 11.801 -1.890 1.00 12.01 O ATOM 68 CB VAL A 741 -10.088 10.339 -2.055 1.00 14.59 C ATOM 69 CG1 VAL A 741 -10.294 11.623 -1.264 1.00 14.37 C ATOM 70 CG2 VAL A 741 -11.218 10.155 -3.066 1.00 15.23 C ATOM 71 H VAL A 741 -9.043 8.223 -3.132 1.00 0.00 H ATOM 72 N LEU A 742 -7.154 9.763 -0.898 1.00 9.74 N ATOM 73 CA LEU A 742 -6.063 9.955 0.070 1.00 9.28 C ATOM 74 C LEU A 742 -4.763 10.427 -0.591 1.00 13.22 C ATOM 75 O LEU A 742 -4.115 11.361 -0.098 1.00 12.61 O ATOM 76 CB LEU A 742 -5.813 8.674 0.901 1.00 9.24 C ATOM 77 CG LEU A 742 -7.009 8.042 1.670 1.00 13.36 C ATOM 78 CD1 LEU A 742 -6.506 6.987 2.643 1.00 12.87 C ATOM 79 CD2 LEU A 742 -7.794 9.073 2.459 1.00 16.31 C ATOM 80 H LEU A 742 -7.655 8.852 -0.893 1.00 0.00 H ATOM 81 N GLU A 743 -4.393 9.786 -1.715 1.00 11.86 N ATOM 82 CA GLU A 743 -3.200 10.114 -2.501 1.00 12.55 C ATOM 83 C GLU A 743 -3.240 11.559 -3.031 1.00 15.87 C ATOM 84 O GLU A 743 -2.196 12.195 -3.141 1.00 15.62 O ATOM 85 CB GLU A 743 -3.078 9.148 -3.692 1.00 15.08 C ATOM 86 CG GLU A 743 -2.721 7.723 -3.295 1.00 29.52 C ATOM 87 CD GLU A 743 -2.696 6.731 -4.446 1.00 60.52 C ATOM 88 OE1 GLU A 743 -3.744 6.548 -5.108 1.00 58.96 O ATOM 89 OE2 GLU A 743 -1.624 6.127 -4.677 1.00 56.53 O ATOM 90 H GLU A 743 -4.994 9.005 -2.048 1.00 0.00 H ATOM 91 N ASN A 744 -4.434 12.068 -3.375 1.00 11.71 N ATOM 92 CA ASN A 744 -4.577 13.419 -3.923 1.00 11.21 C ATOM 93 C ASN A 744 -4.735 14.520 -2.893 1.00 15.41 C ATOM 94 O ASN A 744 -4.532 15.680 -3.234 1.00 16.51 O ATOM 95 CB ASN A 744 -5.740 13.484 -4.913 1.00 9.74 C ATOM 96 CG ASN A 744 -5.512 12.643 -6.138 1.00 25.61 C ATOM 97 OD1 ASN A 744 -4.469 12.722 -6.781 1.00 25.04 O ATOM 98 ND2 ASN A 744 -6.488 11.844 -6.506 1.00 17.70 N ATOM 99 HD22 ASN A 744 -7.361 11.796 -5.943 1.00 0.00 H ATOM 100 HD21 ASN A 744 -6.387 11.259 -7.360 1.00 0.00 H ATOM 101 H ASN A 744 -5.285 11.484 -3.248 1.00 0.00 H ATOM 102 N ILE A 745 -5.126 14.187 -1.663 1.00 11.06 N ATOM 103 CA ILE A 745 -5.359 15.213 -0.638 1.00 10.36 C ATOM 104 C ILE A 745 -4.173 15.379 0.309 1.00 16.76 C ATOM 105 O ILE A 745 -4.279 16.093 1.316 1.00 15.76 O ATOM 106 CB ILE A 745 -6.690 14.995 0.124 1.00 12.82 C ATOM 107 CG1 ILE A 745 -6.686 13.661 0.920 1.00 12.41 C ATOM 108 CG2 ILE A 745 -7.886 15.102 -0.838 1.00 11.50 C ATOM 109 CD1 ILE A 745 -7.855 13.481 1.915 1.00 7.20 C ATOM 110 H ILE A 745 -5.268 13.185 -1.425 1.00 0.00 H ATOM 111 N GLU A 746 -3.046 14.730 -0.019 1.00 15.34 N ATOM 112 CA GLU A 746 -1.827 14.829 0.770 1.00 16.58 C ATOM 113 C GLU A 746 -1.323 16.297 0.805 1.00 22.54 C ATOM 114 O GLU A 746 -1.323 16.967 -0.227 1.00 18.55 O ATOM 115 CB GLU A 746 -0.771 13.873 0.216 1.00 18.75 C ATOM 116 CG GLU A 746 0.386 13.623 1.164 1.00 31.70 C ATOM 117 CD GLU A 746 0.156 12.692 2.341 1.00 45.48 C ATOM 118 OE1 GLU A 746 1.164 12.117 2.804 1.00 56.09 O ATOM 119 OE2 GLU A 746 -0.998 12.530 2.804 1.00 23.27 O ATOM 120 H GLU A 746 -3.043 14.133 -0.870 1.00 0.00 H ATOM 121 N PRO A 747 -0.992 16.841 1.999 1.00 25.17 N ATOM 122 CA PRO A 747 -0.558 18.251 2.081 1.00 26.37 C ATOM 123 C PRO A 747 0.710 18.610 1.307 1.00 30.10 C ATOM 124 O PRO A 747 1.550 17.753 1.052 1.00 29.38 O ATOM 125 CB PRO A 747 -0.331 18.452 3.583 1.00 28.62 C ATOM 126 CG PRO A 747 -0.014 17.084 4.094 1.00 33.31 C ATOM 127 CD PRO A 747 -0.988 16.216 3.337 1.00 27.92 C ATOM 128 N GLU A 748 0.847 19.904 0.965 1.00 27.36 N ATOM 129 CA GLU A 748 2.016 20.464 0.276 1.00 27.16 C ATOM 130 C GLU A 748 3.217 20.468 1.245 1.00 29.38 C ATOM 131 O GLU A 748 3.051 20.208 2.448 1.00 27.58 O ATOM 132 CB GLU A 748 1.714 21.885 -0.270 1.00 29.35 C ATOM 133 CG GLU A 748 1.319 22.914 0.786 1.00 42.75 C ATOM 134 CD GLU A 748 1.092 24.347 0.331 1.00 72.55 C ATOM 135 OE1 GLU A 748 1.859 24.834 -0.532 1.00 76.91 O ATOM 136 OE2 GLU A 748 0.187 25.006 0.893 1.00 62.61 O ATOM 137 H GLU A 748 0.071 20.553 1.206 1.00 0.00 H ATOM 138 N ILE A 749 4.412 20.775 0.725 1.00 25.34 N ATOM 139 CA ILE A 749 5.617 20.818 1.550 1.00 24.47 C ATOM 140 C ILE A 749 5.631 22.078 2.411 1.00 23.75 C ATOM 141 O ILE A 749 5.229 23.149 1.939 1.00 23.09 O ATOM 142 CB ILE A 749 6.918 20.602 0.723 1.00 28.90 C ATOM 143 CG1 ILE A 749 7.192 21.742 -0.276 1.00 30.84 C ATOM 144 CG2 ILE A 749 6.912 19.238 0.020 1.00 29.20 C ATOM 145 CD1 ILE A 749 8.430 22.515 0.055 1.00 43.27 C ATOM 146 H ILE A 749 4.484 20.988 -0.290 1.00 0.00 H ATOM 147 N VAL A 750 6.031 21.939 3.690 1.00 17.86 N ATOM 148 CA VAL A 750 6.102 23.076 4.626 1.00 16.61 C ATOM 149 C VAL A 750 7.541 23.339 5.011 1.00 16.32 C ATOM 150 O VAL A 750 8.220 22.419 5.494 1.00 14.87 O ATOM 151 CB VAL A 750 5.226 22.872 5.893 1.00 20.94 C ATOM 152 CG1 VAL A 750 5.332 24.062 6.844 1.00 21.18 C ATOM 153 CG2 VAL A 750 3.777 22.652 5.517 1.00 21.36 C ATOM 154 H VAL A 750 6.300 20.994 4.030 1.00 0.00 H ATOM 155 N TYR A 751 8.015 24.583 4.796 1.00 11.71 N ATOM 156 CA TYR A 751 9.366 24.969 5.201 1.00 10.68 C ATOM 157 C TYR A 751 9.369 25.244 6.691 1.00 14.74 C ATOM 158 O TYR A 751 8.359 25.685 7.247 1.00 12.96 O ATOM 159 CB TYR A 751 9.883 26.196 4.443 1.00 12.03 C ATOM 160 CG TYR A 751 9.996 25.973 2.954 1.00 14.31 C ATOM 161 CD1 TYR A 751 11.088 25.306 2.410 1.00 14.23 C ATOM 162 CD2 TYR A 751 9.005 26.424 2.086 1.00 16.72 C ATOM 163 CE1 TYR A 751 11.201 25.106 1.036 1.00 12.37 C ATOM 164 CE2 TYR A 751 9.114 26.244 0.709 1.00 18.44 C ATOM 165 CZ TYR A 751 10.218 25.589 0.189 1.00 21.88 C ATOM 166 OH TYR A 751 10.296 25.380 -1.160 1.00 19.98 O ATOM 167 HH TYR A 751 9.524 24.834 -1.453 1.00 0.00 H ATOM 168 H TYR A 751 7.405 25.285 4.331 1.00 0.00 H ATOM 169 N ALA A 752 10.506 24.976 7.340 1.00 13.22 N ATOM 170 CA ALA A 752 10.657 25.198 8.769 1.00 15.22 C ATOM 171 C ALA A 752 10.889 26.682 9.079 1.00 22.57 C ATOM 172 O ALA A 752 10.471 27.156 10.138 1.00 23.14 O ATOM 173 CB ALA A 752 11.826 24.371 9.292 1.00 16.67 C ATOM 174 H ALA A 752 11.312 24.595 6.804 1.00 0.00 H ATOM 175 N GLY A 753 11.562 27.388 8.170 1.00 19.45 N ATOM 176 CA GLY A 753 11.925 28.787 8.375 1.00 21.07 C ATOM 177 C GLY A 753 13.065 28.842 9.375 1.00 26.30 C ATOM 178 O GLY A 753 13.093 29.693 10.266 1.00 27.32 O ATOM 179 H GLY A 753 11.839 26.924 7.281 1.00 0.00 H ATOM 180 N TYR A 754 13.963 27.854 9.275 1.00 20.95 N ATOM 181 CA TYR A 754 15.106 27.670 10.147 1.00 20.40 C ATOM 182 C TYR A 754 16.183 28.702 9.833 1.00 25.88 C ATOM 183 O TYR A 754 16.553 28.873 8.668 1.00 26.40 O ATOM 184 CB TYR A 754 15.612 26.227 9.999 1.00 20.44 C ATOM 185 CG TYR A 754 16.978 25.978 10.585 1.00 22.22 C ATOM 186 CD1 TYR A 754 17.215 26.137 11.948 1.00 24.65 C ATOM 187 CD2 TYR A 754 18.038 25.581 9.778 1.00 23.04 C ATOM 188 CE1 TYR A 754 18.483 25.940 12.485 1.00 27.79 C ATOM 189 CE2 TYR A 754 19.308 25.380 10.302 1.00 24.57 C ATOM 190 CZ TYR A 754 19.527 25.564 11.654 1.00 33.37 C ATOM 191 OH TYR A 754 20.784 25.363 12.145 1.00 34.37 O ATOM 192 HH TYR A 754 20.787 25.531 13.121 1.00 0.00 H ATOM 193 H TYR A 754 13.830 27.163 8.510 1.00 0.00 H ATOM 194 N ASP A 755 16.651 29.412 10.872 1.00 22.57 N ATOM 195 CA ASP A 755 17.681 30.437 10.764 1.00 23.98 C ATOM 196 C ASP A 755 19.037 29.825 11.114 1.00 28.89 C ATOM 197 O ASP A 755 19.404 29.743 12.290 1.00 28.68 O ATOM 198 CB ASP A 755 17.342 31.652 11.655 1.00 26.36 C ATOM 199 CG ASP A 755 18.102 32.926 11.319 1.00 34.65 C ATOM 200 OD1 ASP A 755 19.249 32.826 10.852 1.00 33.19 O ATOM 201 OD2 ASP A 755 17.540 34.025 11.522 1.00 45.31 O ATOM 202 H ASP A 755 16.253 29.218 11.813 1.00 0.00 H ATOM 203 N SER A 756 19.766 29.363 10.083 1.00 26.76 N ATOM 204 CA SER A 756 21.085 28.751 10.232 1.00 27.72 C ATOM 205 C SER A 756 22.180 29.762 10.622 1.00 35.32 C ATOM 206 O SER A 756 23.302 29.352 10.930 1.00 34.89 O ATOM 207 CB SER A 756 21.470 27.984 8.974 1.00 29.97 C ATOM 208 OG SER A 756 21.446 28.816 7.827 1.00 36.39 O ATOM 209 HG SER A 756 21.701 28.286 7.031 1.00 0.00 H ATOM 210 H SER A 756 19.369 29.446 9.125 1.00 0.00 H ATOM 211 N SER A 757 21.860 31.075 10.618 1.00 34.83 N ATOM 212 CA SER A 757 22.804 32.108 11.049 1.00 36.93 C ATOM 213 C SER A 757 22.742 32.228 12.584 1.00 44.15 C ATOM 214 O SER A 757 23.732 32.605 13.209 1.00 46.24 O ATOM 215 CB SER A 757 22.529 33.443 10.357 1.00 39.78 C ATOM 216 OG SER A 757 21.490 34.196 10.961 1.00 45.62 O ATOM 217 HG SER A 757 20.649 33.673 10.939 1.00 0.00 H ATOM 218 H SER A 757 20.913 31.361 10.298 1.00 0.00 H ATOM 219 N LYS A 758 21.584 31.873 13.183 1.00 41.04 N ATOM 220 CA LYS A 758 21.370 31.869 14.635 1.00 41.51 C ATOM 221 C LYS A 758 22.133 30.689 15.272 1.00 47.27 C ATOM 222 O LYS A 758 22.340 29.677 14.587 1.00 46.98 O ATOM 223 CB LYS A 758 19.870 31.776 14.967 1.00 42.72 C ATOM 224 CG LYS A 758 19.146 33.108 14.836 1.00 59.53 C ATOM 225 CD LYS A 758 17.683 33.011 15.226 1.00 70.74 C ATOM 226 CE LYS A 758 17.011 34.359 15.140 1.00 84.28 C ATOM 227 NZ LYS A 758 15.555 34.270 15.416 1.00 93.63 N ATOM 228 HZ1 LYS A 758 15.110 33.638 14.720 1.00 0.00 H ATOM 229 HZ2 LYS A 758 15.407 33.892 16.374 1.00 0.00 H ATOM 230 HZ3 LYS A 758 15.132 35.217 15.347 1.00 0.00 H ATOM 231 H LYS A 758 20.792 31.583 12.575 1.00 0.00 H ATOM 232 N PRO A 759 22.573 30.784 16.558 1.00 44.55 N ATOM 233 CA PRO A 759 23.300 29.651 17.165 1.00 44.05 C ATOM 234 C PRO A 759 22.424 28.405 17.296 1.00 45.17 C ATOM 235 O PRO A 759 21.226 28.523 17.584 1.00 43.58 O ATOM 236 CB PRO A 759 23.738 30.195 18.528 1.00 47.11 C ATOM 237 CG PRO A 759 22.771 31.287 18.836 1.00 51.77 C ATOM 238 CD PRO A 759 22.437 31.907 17.512 1.00 47.08 C ATOM 239 N ASP A 760 23.005 27.218 17.041 1.00 40.36 N ATOM 240 CA ASP A 760 22.254 25.968 17.112 1.00 38.82 C ATOM 241 C ASP A 760 22.139 25.444 18.528 1.00 39.13 C ATOM 242 O ASP A 760 22.791 24.462 18.908 1.00 39.62 O ATOM 243 CB ASP A 760 22.806 24.912 16.147 1.00 41.19 C ATOM 244 CG ASP A 760 22.085 24.835 14.821 1.00 52.05 C ATOM 245 OD1 ASP A 760 20.841 25.012 14.806 1.00 52.08 O ATOM 246 OD2 ASP A 760 22.757 24.576 13.799 1.00 58.65 O ATOM 247 H ASP A 760 24.013 27.191 16.787 1.00 0.00 H ATOM 248 N THR A 761 21.317 26.137 19.319 1.00 30.81 N ATOM 249 CA THR A 761 21.050 25.791 20.704 1.00 28.06 C ATOM 250 C THR A 761 19.799 24.936 20.713 1.00 25.74 C ATOM 251 O THR A 761 19.085 24.901 19.707 1.00 23.79 O ATOM 252 CB THR A 761 20.862 27.063 21.542 1.00 33.02 C ATOM 253 OG1 THR A 761 19.828 27.858 20.959 1.00 29.63 O ATOM 254 CG2 THR A 761 22.146 27.876 21.702 1.00 32.06 C ATOM 255 HG1 THR A 761 19.703 28.680 21.496 1.00 0.00 H ATOM 256 H THR A 761 20.841 26.972 18.921 1.00 0.00 H ATOM 257 N ALA A 762 19.531 24.256 21.841 1.00 20.30 N ATOM 258 CA ALA A 762 18.336 23.445 22.050 1.00 19.42 C ATOM 259 C ALA A 762 17.109 24.352 21.939 1.00 21.70 C ATOM 260 O ALA A 762 16.172 24.014 21.229 1.00 20.02 O ATOM 261 CB ALA A 762 18.381 22.790 23.420 1.00 20.58 C ATOM 262 H ALA A 762 20.221 24.312 22.617 1.00 0.00 H ATOM 263 N GLU A 763 17.158 25.539 22.585 1.00 19.09 N ATOM 264 CA GLU A 763 16.079 26.538 22.574 1.00 19.51 C ATOM 265 C GLU A 763 15.717 26.981 21.166 1.00 23.42 C ATOM 266 O GLU A 763 14.537 26.942 20.831 1.00 24.11 O ATOM 267 CB GLU A 763 16.374 27.743 23.502 1.00 22.23 C ATOM 268 CG GLU A 763 17.793 28.295 23.447 1.00 39.70 C ATOM 269 CD GLU A 763 18.868 27.654 24.319 1.00 63.19 C ATOM 270 OE1 GLU A 763 18.757 26.450 24.653 1.00 37.16 O ATOM 271 OE2 GLU A 763 19.873 28.348 24.595 1.00 64.06 O ATOM 272 H GLU A 763 18.018 25.761 23.127 1.00 0.00 H ATOM 273 N ASN A 764 16.713 27.319 20.320 1.00 19.31 N ATOM 274 CA ASN A 764 16.480 27.732 18.931 1.00 18.63 C ATOM 275 C ASN A 764 15.920 26.609 18.049 1.00 18.76 C ATOM 276 O ASN A 764 14.954 26.852 17.313 1.00 17.50 O ATOM 277 CB ASN A 764 17.733 28.358 18.313 1.00 23.66 C ATOM 278 CG ASN A 764 18.073 29.718 18.891 1.00 54.70 C ATOM 279 OD1 ASN A 764 17.192 30.539 19.181 1.00 53.25 O ATOM 280 ND2 ASN A 764 19.361 30.001 19.048 1.00 44.96 N ATOM 281 HD22 ASN A 764 20.083 29.295 18.797 1.00 0.00 H ATOM 282 HD21 ASN A 764 19.648 30.928 19.421 1.00 0.00 H ATOM 283 H ASN A 764 17.692 27.285 20.669 1.00 0.00 H ATOM 284 N LEU A 765 16.504 25.389 18.128 1.00 14.23 N ATOM 285 CA LEU A 765 16.054 24.218 17.360 1.00 12.90 C ATOM 286 C LEU A 765 14.642 23.791 17.727 1.00 11.29 C ATOM 287 O LEU A 765 13.814 23.611 16.838 1.00 11.23 O ATOM 288 CB LEU A 765 17.013 23.021 17.518 1.00 13.43 C ATOM 289 CG LEU A 765 18.301 23.020 16.673 1.00 19.84 C ATOM 290 CD1 LEU A 765 19.139 21.794 17.012 1.00 19.68 C ATOM 291 CD2 LEU A 765 17.997 22.984 15.169 1.00 24.08 C ATOM 292 H LEU A 765 17.316 25.274 18.768 1.00 0.00 H ATOM 293 N LEU A 766 14.359 23.650 19.017 1.00 9.41 N ATOM 294 CA LEU A 766 13.027 23.234 19.483 1.00 8.41 C ATOM 295 C LEU A 766 11.958 24.274 19.128 1.00 9.95 C ATOM 296 O LEU A 766 10.846 23.891 18.742 1.00 7.52 O ATOM 297 CB LEU A 766 13.029 22.919 20.991 1.00 8.87 C ATOM 298 CG LEU A 766 13.921 21.748 21.457 1.00 11.96 C ATOM 299 CD1 LEU A 766 13.904 21.605 22.954 1.00 12.62 C ATOM 300 CD2 LEU A 766 13.515 20.436 20.814 1.00 13.92 C ATOM 301 H LEU A 766 15.102 23.840 19.719 1.00 0.00 H ATOM 302 N SER A 767 12.316 25.586 19.201 1.00 8.93 N ATOM 303 CA SER A 767 11.400 26.693 18.848 1.00 9.01 C ATOM 304 C SER A 767 11.046 26.590 17.365 1.00 10.77 C ATOM 305 O SER A 767 9.881 26.708 17.005 1.00 8.88 O ATOM 306 CB SER A 767 12.023 28.049 19.172 1.00 12.75 C ATOM 307 OG SER A 767 12.025 28.252 20.578 1.00 18.02 O ATOM 308 HG SER A 767 12.552 27.536 21.013 1.00 0.00 H ATOM 309 H SER A 767 13.278 25.821 19.520 1.00 0.00 H ATOM 310 N THR A 768 12.051 26.309 16.519 1.00 8.82 N ATOM 311 CA THR A 768 11.862 26.094 15.088 1.00 8.46 C ATOM 312 C THR A 768 10.975 24.842 14.856 1.00 10.11 C ATOM 313 O THR A 768 10.069 24.877 14.006 1.00 7.98 O ATOM 314 CB THR A 768 13.231 25.975 14.389 1.00 13.47 C ATOM 315 OG1 THR A 768 13.939 27.187 14.603 1.00 16.75 O ATOM 316 CG2 THR A 768 13.099 25.725 12.888 1.00 12.04 C ATOM 317 HG1 THR A 768 14.062 27.329 15.575 1.00 0.00 H ATOM 318 H THR A 768 13.015 26.241 16.904 1.00 0.00 H ATOM 319 N LEU A 769 11.212 23.752 15.615 1.00 8.66 N ATOM 320 CA LEU A 769 10.391 22.539 15.467 1.00 7.47 C ATOM 321 C LEU A 769 8.933 22.814 15.855 1.00 9.14 C ATOM 322 O LEU A 769 8.020 22.320 15.203 1.00 7.29 O ATOM 323 CB LEU A 769 10.948 21.352 16.258 1.00 7.24 C ATOM 324 CG LEU A 769 12.268 20.745 15.740 1.00 10.87 C ATOM 325 CD1 LEU A 769 12.725 19.605 16.622 1.00 11.92 C ATOM 326 CD2 LEU A 769 12.146 20.267 14.325 1.00 12.64 C ATOM 327 H LEU A 769 11.983 23.769 16.312 1.00 0.00 H ATOM 328 N ASN A 770 8.723 23.610 16.915 1.00 7.54 N ATOM 329 CA ASN A 770 7.376 23.966 17.370 1.00 8.41 C ATOM 330 C ASN A 770 6.658 24.852 16.359 1.00 10.47 C ATOM 331 O ASN A 770 5.473 24.637 16.088 1.00 8.07 O ATOM 332 CB ASN A 770 7.449 24.610 18.765 1.00 8.23 C ATOM 333 CG ASN A 770 7.863 23.605 19.801 1.00 12.79 C ATOM 334 OD1 ASN A 770 7.710 22.394 19.619 1.00 15.08 O ATOM 335 ND2 ASN A 770 8.435 24.063 20.883 1.00 9.75 N ATOM 336 HD22 ASN A 770 8.553 25.088 21.015 1.00 0.00 H ATOM 337 HD21 ASN A 770 8.772 23.403 21.612 1.00 0.00 H ATOM 338 H ASN A 770 9.544 23.987 17.431 1.00 0.00 H ATOM 339 N ARG A 771 7.397 25.787 15.722 1.00 8.53 N ATOM 340 CA ARG A 771 6.829 26.665 14.687 1.00 8.21 C ATOM 341 C ARG A 771 6.385 25.777 13.524 1.00 9.75 C ATOM 342 O ARG A 771 5.252 25.919 13.030 1.00 8.57 O ATOM 343 CB ARG A 771 7.885 27.686 14.234 1.00 9.78 C ATOM 344 CG ARG A 771 7.368 28.835 13.382 1.00 21.61 C ATOM 345 CD ARG A 771 8.367 29.988 13.320 1.00 31.26 C ATOM 346 NE ARG A 771 9.688 29.584 12.821 1.00 43.95 N ATOM 347 CZ ARG A 771 10.808 29.588 13.543 1.00 56.94 C ATOM 348 NH1 ARG A 771 11.955 29.203 13.000 1.00 41.13 N ATOM 349 NH2 ARG A 771 10.790 29.982 14.813 1.00 44.51 N ATOM 350 HE ARG A 771 9.754 29.272 11.831 1.00 0.00 H ATOM 351 HH12 ARG A 771 12.827 29.208 13.567 1.00 0.00 H ATOM 352 HH11 ARG A 771 11.983 28.896 12.007 1.00 0.00 H ATOM 353 HH22 ARG A 771 11.668 29.982 15.370 1.00 0.00 H ATOM 354 HH21 ARG A 771 9.898 30.290 15.249 1.00 0.00 H ATOM 355 H ARG A 771 8.401 25.889 15.972 1.00 0.00 H ATOM 356 N LEU A 772 7.247 24.817 13.133 1.00 8.15 N ATOM 357 CA LEU A 772 6.942 23.862 12.058 1.00 8.02 C ATOM 358 C LEU A 772 5.710 23.011 12.392 1.00 8.91 C ATOM 359 O LEU A 772 4.825 22.853 11.538 1.00 8.09 O ATOM 360 CB LEU A 772 8.171 22.977 11.760 1.00 8.93 C ATOM 361 CG LEU A 772 8.061 22.004 10.588 1.00 12.92 C ATOM 362 CD1 LEU A 772 7.693 22.725 9.276 1.00 13.95 C ATOM 363 CD2 LEU A 772 9.356 21.206 10.434 1.00 13.35 C ATOM 364 H LEU A 772 8.167 24.749 13.613 1.00 0.00 H ATOM 365 N ALA A 773 5.620 22.527 13.649 1.00 6.03 N ATOM 366 CA ALA A 773 4.486 21.717 14.118 1.00 6.16 C ATOM 367 C ALA A 773 3.152 22.476 14.040 1.00 8.18 C ATOM 368 O ALA A 773 2.145 21.885 13.632 1.00 7.68 O ATOM 369 CB ALA A 773 4.741 21.197 15.522 1.00 6.80 C ATOM 370 H ALA A 773 6.389 22.737 14.317 1.00 0.00 H ATOM 371 N GLY A 774 3.186 23.776 14.354 1.00 6.43 N ATOM 372 CA GLY A 774 2.038 24.678 14.239 1.00 7.51 C ATOM 373 C GLY A 774 1.575 24.782 12.798 1.00 11.35 C ATOM 374 O GLY A 774 0.375 24.686 12.506 1.00 11.61 O ATOM 375 H GLY A 774 4.083 24.171 14.701 1.00 0.00 H ATOM 376 N LYS A 775 2.536 24.896 11.867 1.00 9.05 N ATOM 377 CA LYS A 775 2.211 24.991 10.437 1.00 9.49 C ATOM 378 C LYS A 775 1.613 23.684 9.916 1.00 13.05 C ATOM 379 O LYS A 775 0.619 23.724 9.190 1.00 12.34 O ATOM 380 CB LYS A 775 3.443 25.395 9.614 1.00 10.32 C ATOM 381 CG LYS A 775 3.713 26.899 9.617 1.00 27.40 C ATOM 382 CD LYS A 775 5.087 27.241 9.039 1.00 39.47 C ATOM 383 CE LYS A 775 5.009 27.739 7.611 1.00 55.06 C ATOM 384 NZ LYS A 775 6.357 27.974 7.023 1.00 61.24 N ATOM 385 HZ1 LYS A 775 6.861 28.688 7.588 1.00 0.00 H ATOM 386 HZ2 LYS A 775 6.895 27.084 7.027 1.00 0.00 H ATOM 387 HZ3 LYS A 775 6.253 28.314 6.046 1.00 0.00 H ATOM 388 H LYS A 775 3.532 24.918 12.165 1.00 0.00 H ATOM 389 N GLN A 776 2.166 22.534 10.350 1.00 9.34 N ATOM 390 CA GLN A 776 1.675 21.188 9.999 1.00 8.70 C ATOM 391 C GLN A 776 0.284 20.961 10.553 1.00 13.85 C ATOM 392 O GLN A 776 -0.521 20.286 9.918 1.00 12.15 O ATOM 393 CB GLN A 776 2.605 20.115 10.570 1.00 9.24 C ATOM 394 CG GLN A 776 3.975 20.114 9.952 1.00 9.42 C ATOM 395 CD GLN A 776 4.917 19.197 10.690 1.00 17.11 C ATOM 396 OE1 GLN A 776 4.620 18.678 11.775 1.00 17.08 O ATOM 397 NE2 GLN A 776 6.084 19.008 10.132 1.00 13.98 N ATOM 398 HE22 GLN A 776 6.303 19.458 9.220 1.00 0.00 H ATOM 399 HE21 GLN A 776 6.793 18.408 10.600 1.00 0.00 H ATOM 400 H GLN A 776 2.995 22.600 10.975 1.00 0.00 H ATOM 401 N MET A 777 -0.015 21.527 11.724 1.00 13.70 N ATOM 402 CA MET A 777 -1.344 21.385 12.294 1.00 15.88 C ATOM 403 C MET A 777 -2.421 21.984 11.415 1.00 17.12 C ATOM 404 O MET A 777 -3.468 21.351 11.246 1.00 15.57 O ATOM 405 CB MET A 777 -1.436 21.914 13.723 1.00 20.57 C ATOM 406 CG MET A 777 -2.632 21.345 14.485 1.00 27.87 C ATOM 407 SD MET A 777 -2.851 19.522 14.465 1.00 35.80 S ATOM 408 CE MET A 777 -1.178 18.990 14.811 1.00 32.02 C ATOM 409 H MET A 777 0.709 22.074 12.233 1.00 0.00 H ATOM 410 N ILE A 778 -2.155 23.154 10.801 1.00 12.47 N ATOM 411 CA ILE A 778 -3.134 23.801 9.904 1.00 12.88 C ATOM 412 C ILE A 778 -3.384 22.875 8.727 1.00 13.06 C ATOM 413 O ILE A 778 -4.529 22.677 8.306 1.00 12.68 O ATOM 414 CB ILE A 778 -2.625 25.202 9.448 1.00 17.13 C ATOM 415 CG1 ILE A 778 -2.545 26.159 10.666 1.00 18.78 C ATOM 416 CG2 ILE A 778 -3.505 25.784 8.304 1.00 19.14 C ATOM 417 CD1 ILE A 778 -1.849 27.477 10.402 1.00 28.55 C ATOM 418 H ILE A 778 -1.236 23.613 10.963 1.00 0.00 H ATOM 419 N GLN A 779 -2.310 22.283 8.225 1.00 9.47 N ATOM 420 CA GLN A 779 -2.391 21.326 7.124 1.00 8.51 C ATOM 421 C GLN A 779 -3.199 20.068 7.487 1.00 10.69 C ATOM 422 O GLN A 779 -4.002 19.609 6.655 1.00 7.66 O ATOM 423 CB GLN A 779 -1.010 20.940 6.654 1.00 9.27 C ATOM 424 CG GLN A 779 -0.312 22.030 5.866 1.00 20.81 C ATOM 425 CD GLN A 779 0.852 21.377 5.191 1.00 38.18 C ATOM 426 OE1 GLN A 779 1.582 20.573 5.803 1.00 32.50 O ATOM 427 NE2 GLN A 779 1.023 21.652 3.906 1.00 25.76 N ATOM 428 HE22 GLN A 779 0.393 22.329 3.431 1.00 0.00 H ATOM 429 HE21 GLN A 779 1.788 21.191 3.373 1.00 0.00 H ATOM 430 H GLN A 779 -1.378 22.507 8.628 1.00 0.00 H ATOM 431 N VAL A 780 -3.041 19.557 8.736 1.00 8.25 N ATOM 432 CA VAL A 780 -3.789 18.388 9.213 1.00 8.28 C ATOM 433 C VAL A 780 -5.285 18.704 9.211 1.00 11.01 C ATOM 434 O VAL A 780 -6.086 17.889 8.742 1.00 10.27 O ATOM 435 CB VAL A 780 -3.333 17.930 10.626 1.00 11.17 C ATOM 436 CG1 VAL A 780 -4.347 16.944 11.241 1.00 11.61 C ATOM 437 CG2 VAL A 780 -1.945 17.318 10.581 1.00 10.55 C ATOM 438 H VAL A 780 -2.363 20.012 9.380 1.00 0.00 H ATOM 439 N VAL A 781 -5.665 19.893 9.730 1.00 9.59 N ATOM 440 CA VAL A 781 -7.086 20.272 9.776 1.00 10.19 C ATOM 441 C VAL A 781 -7.644 20.366 8.358 1.00 12.42 C ATOM 442 O VAL A 781 -8.743 19.862 8.107 1.00 11.28 O ATOM 443 CB VAL A 781 -7.320 21.570 10.590 1.00 13.73 C ATOM 444 CG1 VAL A 781 -8.806 21.931 10.635 1.00 14.76 C ATOM 445 CG2 VAL A 781 -6.739 21.446 11.997 1.00 12.85 C ATOM 446 H VAL A 781 -4.946 20.546 10.100 1.00 0.00 H ATOM 447 N LYS A 782 -6.879 20.961 7.421 1.00 10.59 N ATOM 448 CA LYS A 782 -7.366 21.089 6.031 1.00 11.04 C ATOM 449 C LYS A 782 -7.587 19.715 5.372 1.00 11.46 C ATOM 450 O LYS A 782 -8.609 19.487 4.694 1.00 11.20 O ATOM 451 CB LYS A 782 -6.430 21.982 5.205 1.00 14.79 C ATOM 452 CG LYS A 782 -6.696 23.465 5.488 1.00 40.28 C ATOM 453 CD LYS A 782 -5.849 24.428 4.659 1.00 55.59 C ATOM 454 CE LYS A 782 -6.139 25.857 5.071 1.00 70.90 C ATOM 455 NZ LYS A 782 -5.439 26.850 4.213 1.00 80.63 N ATOM 456 HZ1 LYS A 782 -4.412 26.699 4.278 1.00 0.00 H ATOM 457 HZ2 LYS A 782 -5.746 26.732 3.227 1.00 0.00 H ATOM 458 HZ3 LYS A 782 -5.671 27.811 4.537 1.00 0.00 H ATOM 459 H LYS A 782 -5.942 21.332 7.677 1.00 0.00 H ATOM 460 N TRP A 783 -6.663 18.787 5.641 1.00 7.87 N ATOM 461 CA TRP A 783 -6.702 17.404 5.135 1.00 8.39 C ATOM 462 C TRP A 783 -7.856 16.641 5.753 1.00 11.11 C ATOM 463 O TRP A 783 -8.597 15.977 5.034 1.00 10.83 O ATOM 464 CB TRP A 783 -5.356 16.716 5.419 1.00 7.07 C ATOM 465 CG TRP A 783 -5.322 15.220 5.358 1.00 8.10 C ATOM 466 CD1 TRP A 783 -5.117 14.444 4.256 1.00 10.13 C ATOM 467 CD2 TRP A 783 -5.337 14.328 6.483 1.00 8.24 C ATOM 468 NE1 TRP A 783 -5.009 13.122 4.623 1.00 9.92 N ATOM 469 CE2 TRP A 783 -5.161 13.020 5.982 1.00 11.21 C ATOM 470 CE3 TRP A 783 -5.471 14.511 7.873 1.00 9.34 C ATOM 471 CZ2 TRP A 783 -5.162 11.891 6.817 1.00 10.84 C ATOM 472 CZ3 TRP A 783 -5.431 13.396 8.701 1.00 10.70 C ATOM 473 CH2 TRP A 783 -5.290 12.105 8.172 1.00 11.26 C ATOM 474 HE1 TRP A 783 -4.839 12.328 3.974 1.00 0.00 H ATOM 475 H TRP A 783 -5.864 19.060 6.248 1.00 0.00 H ATOM 476 N ALA A 784 -8.033 16.769 7.078 1.00 8.74 N ATOM 477 CA ALA A 784 -9.094 16.069 7.804 1.00 9.59 C ATOM 478 C ALA A 784 -10.496 16.446 7.315 1.00 15.32 C ATOM 479 O ALA A 784 -11.348 15.556 7.211 1.00 14.78 O ATOM 480 CB ALA A 784 -8.956 16.307 9.304 1.00 9.30 C ATOM 481 H ALA A 784 -7.391 17.390 7.610 1.00 0.00 H ATOM 482 N LYS A 785 -10.719 17.730 6.945 1.00 13.51 N ATOM 483 CA LYS A 785 -12.016 18.231 6.464 1.00 14.46 C ATOM 484 C LYS A 785 -12.461 17.550 5.171 1.00 17.57 C ATOM 485 O LYS A 785 -13.655 17.322 4.984 1.00 19.28 O ATOM 486 CB LYS A 785 -11.976 19.757 6.269 1.00 17.51 C ATOM 487 CG LYS A 785 -11.879 20.535 7.578 1.00 27.32 C ATOM 488 CD LYS A 785 -11.694 22.027 7.344 1.00 35.14 C ATOM 489 CE LYS A 785 -12.998 22.762 7.131 1.00 40.96 C ATOM 490 NZ LYS A 785 -12.761 24.210 6.928 1.00 53.60 N ATOM 491 HZ1 LYS A 785 -12.288 24.603 7.766 1.00 0.00 H ATOM 492 HZ2 LYS A 785 -12.158 24.347 6.092 1.00 0.00 H ATOM 493 HZ3 LYS A 785 -13.671 24.692 6.784 1.00 0.00 H ATOM 494 H LYS A 785 -9.927 18.401 7.004 1.00 0.00 H ATOM 495 N VAL A 786 -11.499 17.185 4.305 1.00 11.17 N ATOM 496 CA VAL A 786 -11.800 16.534 3.033 1.00 10.86 C ATOM 497 C VAL A 786 -11.541 15.016 3.078 1.00 13.97 C ATOM 498 O VAL A 786 -11.655 14.338 2.064 1.00 13.39 O ATOM 499 CB VAL A 786 -11.089 17.242 1.865 1.00 12.06 C ATOM 500 CG1 VAL A 786 -11.661 18.656 1.664 1.00 12.51 C ATOM 501 CG2 VAL A 786 -9.560 17.261 2.043 1.00 10.81 C ATOM 502 H VAL A 786 -10.506 17.373 4.550 1.00 0.00 H ATOM 503 N LEU A 787 -11.227 14.480 4.259 1.00 11.54 N ATOM 504 CA LEU A 787 -10.977 13.063 4.441 1.00 10.86 C ATOM 505 C LEU A 787 -12.320 12.306 4.391 1.00 14.35 C ATOM 506 O LEU A 787 -13.230 12.654 5.149 1.00 14.42 O ATOM 507 CB LEU A 787 -10.261 12.891 5.789 1.00 11.00 C ATOM 508 CG LEU A 787 -9.616 11.570 6.086 1.00 15.25 C ATOM 509 CD1 LEU A 787 -8.384 11.349 5.209 1.00 14.80 C ATOM 510 CD2 LEU A 787 -9.195 11.530 7.539 1.00 15.66 C ATOM 511 H LEU A 787 -11.158 15.107 5.086 1.00 0.00 H ATOM 512 N PRO A 788 -12.516 11.339 3.462 1.00 12.04 N ATOM 513 CA PRO A 788 -13.831 10.660 3.374 1.00 12.83 C ATOM 514 C PRO A 788 -14.307 10.046 4.696 1.00 15.10 C ATOM 515 O PRO A 788 -13.565 9.324 5.353 1.00 14.53 O ATOM 516 CB PRO A 788 -13.626 9.636 2.253 1.00 14.39 C ATOM 517 CG PRO A 788 -12.528 10.215 1.436 1.00 18.09 C ATOM 518 CD PRO A 788 -11.585 10.816 2.439 1.00 12.97 C ATOM 519 N GLY A 789 -15.503 10.449 5.120 1.00 14.46 N ATOM 520 CA GLY A 789 -16.148 10.008 6.353 1.00 13.62 C ATOM 521 C GLY A 789 -15.918 10.883 7.576 1.00 15.70 C ATOM 522 O GLY A 789 -16.672 10.776 8.547 1.00 15.17 O ATOM 523 H GLY A 789 -16.018 11.131 4.527 1.00 0.00 H ATOM 524 N PHE A 790 -14.881 11.768 7.557 1.00 12.37 N ATOM 525 CA PHE A 790 -14.556 12.601 8.718 1.00 11.76 C ATOM 526 C PHE A 790 -15.649 13.618 9.054 1.00 16.57 C ATOM 527 O PHE A 790 -15.933 13.849 10.244 1.00 14.33 O ATOM 528 CB PHE A 790 -13.184 13.264 8.556 1.00 12.04 C ATOM 529 CG PHE A 790 -12.628 13.820 9.844 1.00 12.87 C ATOM 530 CD1 PHE A 790 -12.174 12.971 10.850 1.00 14.47 C ATOM 531 CD2 PHE A 790 -12.567 15.193 10.057 1.00 14.76 C ATOM 532 CE1 PHE A 790 -11.646 13.488 12.038 1.00 15.02 C ATOM 533 CE2 PHE A 790 -12.016 15.711 11.232 1.00 17.25 C ATOM 534 CZ PHE A 790 -11.561 14.857 12.213 1.00 14.02 C ATOM 535 H PHE A 790 -14.305 11.854 6.695 1.00 0.00 H ATOM 536 N LYS A 791 -16.313 14.157 8.003 1.00 16.06 N ATOM 537 CA LYS A 791 -17.437 15.102 8.109 1.00 17.32 C ATOM 538 C LYS A 791 -18.632 14.520 8.871 1.00 21.44 C ATOM 539 O LYS A 791 -19.405 15.289 9.441 1.00 24.00 O ATOM 540 CB LYS A 791 -17.905 15.581 6.718 1.00 22.00 C ATOM 541 CG LYS A 791 -18.497 14.476 5.823 1.00 43.64 C ATOM 542 CD LYS A 791 -19.397 15.013 4.715 1.00 55.94 C ATOM 543 CE LYS A 791 -20.495 14.036 4.351 1.00 68.53 C ATOM 544 NZ LYS A 791 -19.993 12.871 3.572 1.00 78.89 N ATOM 545 HZ1 LYS A 791 -19.559 13.207 2.689 1.00 0.00 H ATOM 546 HZ2 LYS A 791 -19.284 12.359 4.135 1.00 0.00 H ATOM 547 HZ3 LYS A 791 -20.786 12.236 3.351 1.00 0.00 H ATOM 548 H LYS A 791 -16.005 13.882 7.048 1.00 0.00 H ATOM 549 N ASN A 792 -18.818 13.186 8.833 1.00 16.09 N ATOM 550 CA ASN A 792 -19.921 12.506 9.524 1.00 16.91 C ATOM 551 C ASN A 792 -19.766 12.603 11.054 1.00 19.55 C ATOM 552 O ASN A 792 -20.764 12.582 11.764 1.00 19.81 O ATOM 553 CB ASN A 792 -20.053 11.037 9.079 1.00 19.96 C ATOM 554 CG ASN A 792 -20.268 10.810 7.592 1.00 48.07 C ATOM 555 OD1 ASN A 792 -19.730 9.857 7.003 1.00 41.22 O ATOM 556 ND2 ASN A 792 -21.096 11.641 6.957 1.00 42.12 N ATOM 557 HD22 ASN A 792 -21.534 12.432 7.471 1.00 0.00 H ATOM 558 HD21 ASN A 792 -21.303 11.498 5.948 1.00 0.00 H ATOM 559 H ASN A 792 -18.147 12.609 8.287 1.00 0.00 H ATOM 560 N LEU A 793 -18.527 12.747 11.564 1.00 14.14 N ATOM 561 CA LEU A 793 -18.343 12.841 13.018 1.00 13.95 C ATOM 562 C LEU A 793 -18.696 14.239 13.548 1.00 16.64 C ATOM 563 O LEU A 793 -18.392 15.225 12.872 1.00 15.95 O ATOM 564 CB LEU A 793 -16.917 12.425 13.462 1.00 12.80 C ATOM 565 CG LEU A 793 -16.272 11.245 12.705 1.00 15.74 C ATOM 566 CD1 LEU A 793 -14.856 11.040 13.146 1.00 14.69 C ATOM 567 CD2 LEU A 793 -17.109 9.925 12.830 1.00 17.58 C ATOM 568 H LEU A 793 -17.704 12.791 10.930 1.00 0.00 H ATOM 569 N PRO A 794 -19.298 14.346 14.769 1.00 14.58 N ATOM 570 CA PRO A 794 -19.625 15.674 15.313 1.00 14.48 C ATOM 571 C PRO A 794 -18.371 16.492 15.563 1.00 16.29 C ATOM 572 O PRO A 794 -17.290 15.910 15.741 1.00 13.54 O ATOM 573 CB PRO A 794 -20.387 15.377 16.612 1.00 16.08 C ATOM 574 CG PRO A 794 -20.111 13.978 16.941 1.00 19.29 C ATOM 575 CD PRO A 794 -19.702 13.261 15.691 1.00 16.15 C ATOM 576 N LEU A 795 -18.509 17.830 15.520 1.00 15.49 N ATOM 577 CA LEU A 795 -17.411 18.779 15.708 1.00 16.16 C ATOM 578 C LEU A 795 -16.571 18.453 16.935 1.00 17.68 C ATOM 579 O LEU A 795 -15.350 18.420 16.830 1.00 16.35 O ATOM 580 CB LEU A 795 -17.935 20.226 15.766 1.00 17.46 C ATOM 581 CG LEU A 795 -16.872 21.314 16.009 1.00 22.35 C ATOM 582 CD1 LEU A 795 -15.854 21.388 14.855 1.00 22.13 C ATOM 583 CD2 LEU A 795 -17.517 22.659 16.281 1.00 25.69 C ATOM 584 H LEU A 795 -19.458 18.215 15.341 1.00 0.00 H ATOM 585 N GLU A 796 -17.226 18.190 18.091 1.00 15.24 N ATOM 586 CA GLU A 796 -16.532 17.851 19.333 1.00 14.87 C ATOM 587 C GLU A 796 -15.605 16.638 19.155 1.00 14.48 C ATOM 588 O GLU A 796 -14.480 16.659 19.664 1.00 13.80 O ATOM 589 CB GLU A 796 -17.538 17.577 20.457 1.00 17.25 C ATOM 590 CG GLU A 796 -16.983 17.937 21.823 1.00 33.67 C ATOM 591 CD GLU A 796 -17.635 17.237 22.997 1.00 54.15 C ATOM 592 OE1 GLU A 796 -18.858 17.420 23.202 1.00 39.12 O ATOM 593 OE2 GLU A 796 -16.909 16.533 23.735 1.00 48.80 O ATOM 594 H GLU A 796 -18.265 18.231 18.096 1.00 0.00 H ATOM 595 N ASP A 797 -16.081 15.587 18.459 1.00 11.06 N ATOM 596 CA ASP A 797 -15.274 14.385 18.212 1.00 10.28 C ATOM 597 C ASP A 797 -14.135 14.682 17.252 1.00 11.24 C ATOM 598 O ASP A 797 -13.033 14.162 17.446 1.00 9.78 O ATOM 599 CB ASP A 797 -16.137 13.221 17.709 1.00 11.96 C ATOM 600 CG ASP A 797 -17.082 12.644 18.761 1.00 21.73 C ATOM 601 OD1 ASP A 797 -16.990 13.068 19.958 1.00 22.08 O ATOM 602 OD2 ASP A 797 -17.900 11.757 18.403 1.00 20.27 O ATOM 603 H ASP A 797 -17.050 15.628 18.085 1.00 0.00 H ATOM 604 N GLN A 798 -14.383 15.541 16.226 1.00 8.55 N ATOM 605 CA GLN A 798 -13.326 15.897 15.266 1.00 7.80 C ATOM 606 C GLN A 798 -12.151 16.589 15.976 1.00 10.98 C ATOM 607 O GLN A 798 -10.990 16.254 15.727 1.00 9.87 O ATOM 608 CB GLN A 798 -13.882 16.808 14.170 1.00 8.66 C ATOM 609 CG GLN A 798 -14.931 16.143 13.291 1.00 18.05 C ATOM 610 CD GLN A 798 -15.448 17.075 12.217 1.00 29.73 C ATOM 611 OE1 GLN A 798 -15.220 18.285 12.241 1.00 31.58 O ATOM 612 NE2 GLN A 798 -16.174 16.535 11.257 1.00 25.42 N ATOM 613 HE22 GLN A 798 -16.355 15.511 11.255 1.00 0.00 H ATOM 614 HE21 GLN A 798 -16.566 17.133 10.502 1.00 0.00 H ATOM 615 H GLN A 798 -15.333 15.951 16.119 1.00 0.00 H ATOM 616 N ILE A 799 -12.462 17.492 16.907 1.00 9.69 N ATOM 617 CA ILE A 799 -11.469 18.243 17.690 1.00 9.75 C ATOM 618 C ILE A 799 -10.708 17.287 18.607 1.00 10.82 C ATOM 619 O ILE A 799 -9.476 17.355 18.652 1.00 8.86 O ATOM 620 CB ILE A 799 -12.153 19.397 18.492 1.00 13.06 C ATOM 621 CG1 ILE A 799 -12.646 20.507 17.552 1.00 13.96 C ATOM 622 CG2 ILE A 799 -11.189 19.964 19.560 1.00 14.29 C ATOM 623 CD1 ILE A 799 -13.731 21.323 18.105 1.00 18.18 C ATOM 624 H ILE A 799 -13.469 17.676 17.091 1.00 0.00 H ATOM 625 N THR A 800 -11.432 16.370 19.294 1.00 9.25 N ATOM 626 CA THR A 800 -10.824 15.386 20.204 1.00 9.08 C ATOM 627 C THR A 800 -9.791 14.535 19.418 1.00 10.09 C ATOM 628 O THR A 800 -8.644 14.400 19.850 1.00 8.15 O ATOM 629 CB THR A 800 -11.917 14.514 20.857 1.00 17.33 C ATOM 630 OG1 THR A 800 -12.769 15.326 21.672 1.00 12.54 O ATOM 631 CG2 THR A 800 -11.349 13.378 21.697 1.00 16.20 C ATOM 632 HG1 THR A 800 -13.197 16.020 21.111 1.00 0.00 H ATOM 633 H THR A 800 -12.465 16.361 19.172 1.00 0.00 H ATOM 634 N LEU A 801 -10.200 13.996 18.251 1.00 6.89 N ATOM 635 CA LEU A 801 -9.344 13.128 17.437 1.00 5.66 C ATOM 636 C LEU A 801 -8.073 13.851 16.955 1.00 7.94 C ATOM 637 O LEU A 801 -6.972 13.310 17.091 1.00 6.99 O ATOM 638 CB LEU A 801 -10.136 12.486 16.289 1.00 5.45 C ATOM 639 CG LEU A 801 -11.204 11.456 16.719 1.00 7.86 C ATOM 640 CD1 LEU A 801 -12.104 11.106 15.570 1.00 8.29 C ATOM 641 CD2 LEU A 801 -10.576 10.184 17.291 1.00 7.05 C ATOM 642 H LEU A 801 -11.162 14.205 17.915 1.00 0.00 H ATOM 643 N ILE A 802 -8.219 15.084 16.484 1.00 6.76 N ATOM 644 CA ILE A 802 -7.076 15.890 16.029 1.00 6.94 C ATOM 645 C ILE A 802 -6.127 16.209 17.189 1.00 9.24 C ATOM 646 O ILE A 802 -4.916 16.042 17.032 1.00 7.89 O ATOM 647 CB ILE A 802 -7.523 17.148 15.242 1.00 9.64 C ATOM 648 CG1 ILE A 802 -8.212 16.741 13.917 1.00 10.26 C ATOM 649 CG2 ILE A 802 -6.317 18.104 14.965 1.00 10.69 C ATOM 650 CD1 ILE A 802 -9.071 17.850 13.271 1.00 16.06 C ATOM 651 H ILE A 802 -9.174 15.493 16.435 1.00 0.00 H ATOM 652 N GLN A 803 -6.672 16.594 18.353 1.00 8.58 N ATOM 653 CA GLN A 803 -5.872 16.921 19.549 1.00 8.82 C ATOM 654 C GLN A 803 -5.142 15.683 20.078 1.00 11.46 C ATOM 655 O GLN A 803 -3.951 15.762 20.383 1.00 12.56 O ATOM 656 CB GLN A 803 -6.763 17.499 20.662 1.00 9.52 C ATOM 657 CG GLN A 803 -7.184 18.954 20.437 1.00 16.00 C ATOM 658 CD GLN A 803 -8.036 19.503 21.560 1.00 38.92 C ATOM 659 OE1 GLN A 803 -8.814 18.790 22.212 1.00 34.70 O ATOM 660 NE2 GLN A 803 -7.940 20.799 21.781 1.00 34.04 N ATOM 661 HE22 GLN A 803 -7.280 21.375 21.220 1.00 0.00 H ATOM 662 HE21 GLN A 803 -8.525 21.246 22.516 1.00 0.00 H ATOM 663 H GLN A 803 -7.708 16.665 18.415 1.00 0.00 H ATOM 664 N TYR A 804 -5.831 14.531 20.167 1.00 9.41 N ATOM 665 CA TYR A 804 -5.188 13.312 20.663 1.00 9.15 C ATOM 666 C TYR A 804 -4.129 12.727 19.712 1.00 10.33 C ATOM 667 O TYR A 804 -3.164 12.128 20.176 1.00 11.48 O ATOM 668 CB TYR A 804 -6.237 12.226 20.963 1.00 11.49 C ATOM 669 CG TYR A 804 -6.909 12.327 22.322 1.00 18.78 C ATOM 670 CD1 TYR A 804 -6.194 12.715 23.456 1.00 22.81 C ATOM 671 CD2 TYR A 804 -8.230 11.931 22.495 1.00 21.03 C ATOM 672 CE1 TYR A 804 -6.799 12.763 24.714 1.00 25.91 C ATOM 673 CE2 TYR A 804 -8.847 11.988 23.742 1.00 22.89 C ATOM 674 CZ TYR A 804 -8.135 12.421 24.844 1.00 32.16 C ATOM 675 OH TYR A 804 -8.765 12.472 26.064 1.00 37.56 O ATOM 676 HH TYR A 804 -9.539 13.087 26.009 1.00 0.00 H ATOM 677 H TYR A 804 -6.830 14.506 19.881 1.00 0.00 H ATOM 678 N SER A 805 -4.326 12.856 18.407 1.00 6.53 N ATOM 679 CA SER A 805 -3.461 12.227 17.409 1.00 6.98 C ATOM 680 C SER A 805 -2.365 13.105 16.812 1.00 10.37 C ATOM 681 O SER A 805 -1.629 12.606 15.956 1.00 8.98 O ATOM 682 CB SER A 805 -4.309 11.687 16.257 1.00 8.64 C ATOM 683 OG SER A 805 -4.782 12.772 15.468 1.00 14.48 O ATOM 684 HG SER A 805 -5.332 13.372 16.031 1.00 0.00 H ATOM 685 H SER A 805 -5.130 13.429 18.079 1.00 0.00 H ATOM 686 N TRP A 806 -2.306 14.406 17.168 1.00 8.22 N ATOM 687 CA TRP A 806 -1.359 15.342 16.547 1.00 8.82 C ATOM 688 C TRP A 806 0.087 14.842 16.526 1.00 7.76 C ATOM 689 O TRP A 806 0.683 14.877 15.444 1.00 6.12 O ATOM 690 CB TRP A 806 -1.467 16.748 17.137 1.00 9.39 C ATOM 691 CG TRP A 806 -0.730 17.005 18.411 1.00 11.07 C ATOM 692 CD1 TRP A 806 -1.214 16.872 19.677 1.00 14.65 C ATOM 693 CD2 TRP A 806 0.579 17.574 18.538 1.00 11.67 C ATOM 694 NE1 TRP A 806 -0.255 17.250 20.590 1.00 15.13 N ATOM 695 CE2 TRP A 806 0.841 17.720 19.916 1.00 15.92 C ATOM 696 CE3 TRP A 806 1.573 17.950 17.616 1.00 13.35 C ATOM 697 CZ2 TRP A 806 2.048 18.235 20.398 1.00 15.25 C ATOM 698 CZ3 TRP A 806 2.755 18.487 18.094 1.00 14.91 C ATOM 699 CH2 TRP A 806 2.993 18.605 19.470 1.00 16.05 C ATOM 700 HE1 TRP A 806 -0.348 17.189 21.624 1.00 0.00 H ATOM 701 H TRP A 806 -2.951 14.757 17.905 1.00 0.00 H ATOM 702 N MET A 807 0.628 14.352 17.667 1.00 5.78 N ATOM 703 CA MET A 807 2.015 13.843 17.707 1.00 7.88 C ATOM 704 C MET A 807 2.194 12.565 16.877 1.00 12.19 C ATOM 705 O MET A 807 3.269 12.378 16.269 1.00 12.31 O ATOM 706 CB MET A 807 2.496 13.632 19.158 1.00 9.48 C ATOM 707 CG MET A 807 4.005 13.393 19.288 1.00 12.30 C ATOM 708 SD MET A 807 4.986 14.858 18.893 1.00 15.68 S ATOM 709 CE MET A 807 4.883 15.731 20.483 1.00 12.95 C ATOM 710 H MET A 807 0.055 14.334 18.534 1.00 0.00 H ATOM 711 N SER A 808 1.159 11.683 16.854 1.00 9.16 N ATOM 712 CA SER A 808 1.159 10.427 16.093 1.00 8.58 C ATOM 713 C SER A 808 1.250 10.716 14.594 1.00 10.49 C ATOM 714 O SER A 808 2.102 10.134 13.922 1.00 9.70 O ATOM 715 CB SER A 808 -0.097 9.609 16.392 1.00 10.07 C ATOM 716 OG SER A 808 -0.210 9.331 17.777 1.00 15.10 O ATOM 717 HG SER A 808 -0.260 10.182 18.280 1.00 0.00 H ATOM 718 H SER A 808 0.312 11.913 17.412 1.00 0.00 H ATOM 719 N LEU A 809 0.380 11.627 14.080 1.00 8.78 N ATOM 720 CA LEU A 809 0.377 12.040 12.661 1.00 9.47 C ATOM 721 C LEU A 809 1.683 12.716 12.269 1.00 10.83 C ATOM 722 O LEU A 809 2.232 12.403 11.213 1.00 11.06 O ATOM 723 CB LEU A 809 -0.812 12.974 12.316 1.00 10.03 C ATOM 724 CG LEU A 809 -2.224 12.385 12.428 1.00 14.76 C ATOM 725 CD1 LEU A 809 -3.310 13.485 12.209 1.00 14.96 C ATOM 726 CD2 LEU A 809 -2.450 11.313 11.387 1.00 19.64 C ATOM 727 H LEU A 809 -0.320 12.055 14.719 1.00 0.00 H ATOM 728 N SER A 810 2.194 13.600 13.140 1.00 7.72 N ATOM 729 CA SER A 810 3.440 14.326 12.912 1.00 7.21 C ATOM 730 C SER A 810 4.660 13.382 12.858 1.00 7.72 C ATOM 731 O SER A 810 5.494 13.528 11.955 1.00 6.41 O ATOM 732 CB SER A 810 3.630 15.407 13.970 1.00 7.89 C ATOM 733 OG SER A 810 4.710 16.248 13.604 1.00 10.17 O ATOM 734 HG SER A 810 4.515 16.673 12.731 1.00 0.00 H ATOM 735 H SER A 810 1.675 13.777 14.024 1.00 0.00 H ATOM 736 N SER A 811 4.755 12.414 13.806 1.00 5.79 N ATOM 737 CA SER A 811 5.883 11.461 13.834 1.00 5.29 C ATOM 738 C SER A 811 5.858 10.516 12.627 1.00 7.46 C ATOM 739 O SER A 811 6.908 10.238 12.040 1.00 6.96 O ATOM 740 CB SER A 811 5.914 10.676 15.147 1.00 6.03 C ATOM 741 OG SER A 811 4.724 9.948 15.396 1.00 4.54 O ATOM 742 HG SER A 811 3.959 10.574 15.442 1.00 0.00 H ATOM 743 H SER A 811 4.014 12.342 14.532 1.00 0.00 H ATOM 744 N PHE A 812 4.654 10.063 12.226 1.00 5.91 N ATOM 745 CA PHE A 812 4.482 9.172 11.089 1.00 4.85 C ATOM 746 C PHE A 812 4.840 9.870 9.785 1.00 6.50 C ATOM 747 O PHE A 812 5.542 9.272 8.958 1.00 6.92 O ATOM 748 CB PHE A 812 3.045 8.620 11.032 1.00 5.85 C ATOM 749 CG PHE A 812 2.922 7.316 10.274 1.00 6.78 C ATOM 750 CD1 PHE A 812 3.542 6.158 10.737 1.00 9.69 C ATOM 751 CD2 PHE A 812 2.120 7.225 9.143 1.00 8.52 C ATOM 752 CE1 PHE A 812 3.418 4.947 10.040 1.00 11.03 C ATOM 753 CE2 PHE A 812 1.991 6.018 8.451 1.00 10.27 C ATOM 754 CZ PHE A 812 2.632 4.882 8.906 1.00 9.87 C ATOM 755 H PHE A 812 3.810 10.364 12.753 1.00 0.00 H ATOM 756 N ALA A 813 4.442 11.145 9.637 1.00 5.48 N ATOM 757 CA ALA A 813 4.739 11.930 8.426 1.00 4.62 C ATOM 758 C ALA A 813 6.253 12.208 8.352 1.00 6.04 C ATOM 759 O ALA A 813 6.827 12.182 7.260 1.00 4.96 O ATOM 760 CB ALA A 813 3.973 13.242 8.450 1.00 5.04 C ATOM 761 H ALA A 813 3.904 11.594 10.406 1.00 0.00 H ATOM 762 N LEU A 814 6.878 12.456 9.506 1.00 4.89 N ATOM 763 CA LEU A 814 8.335 12.680 9.579 1.00 5.69 C ATOM 764 C LEU A 814 9.069 11.405 9.103 1.00 7.85 C ATOM 765 O LEU A 814 10.031 11.517 8.328 1.00 5.60 O ATOM 766 CB LEU A 814 8.776 13.055 11.006 1.00 5.78 C ATOM 767 CG LEU A 814 10.301 13.107 11.255 1.00 7.52 C ATOM 768 CD1 LEU A 814 10.986 14.133 10.361 1.00 7.68 C ATOM 769 CD2 LEU A 814 10.602 13.386 12.732 1.00 8.42 C ATOM 770 H LEU A 814 6.319 12.492 10.382 1.00 0.00 H ATOM 771 N SER A 815 8.629 10.209 9.569 1.00 6.06 N ATOM 772 CA SER A 815 9.246 8.949 9.137 1.00 6.12 C ATOM 773 C SER A 815 9.066 8.742 7.628 1.00 8.28 C ATOM 774 O SER A 815 10.023 8.347 6.965 1.00 7.43 O ATOM 775 CB SER A 815 8.762 7.753 9.956 1.00 8.45 C ATOM 776 OG SER A 815 7.367 7.751 10.207 1.00 14.21 O ATOM 777 HG SER A 815 7.122 8.568 10.710 1.00 0.00 H ATOM 778 H SER A 815 7.839 10.185 10.245 1.00 0.00 H ATOM 779 N TRP A 816 7.902 9.139 7.067 1.00 5.91 N ATOM 780 CA TRP A 816 7.666 9.062 5.618 1.00 6.44 C ATOM 781 C TRP A 816 8.616 9.990 4.822 1.00 8.48 C ATOM 782 O TRP A 816 9.212 9.542 3.824 1.00 7.03 O ATOM 783 CB TRP A 816 6.201 9.379 5.253 1.00 5.94 C ATOM 784 CG TRP A 816 5.946 9.305 3.769 1.00 6.69 C ATOM 785 CD1 TRP A 816 5.815 10.354 2.900 1.00 9.07 C ATOM 786 CD2 TRP A 816 5.910 8.115 2.974 1.00 6.82 C ATOM 787 NE1 TRP A 816 5.710 9.885 1.608 1.00 8.86 N ATOM 788 CE2 TRP A 816 5.763 8.513 1.627 1.00 9.85 C ATOM 789 CE3 TRP A 816 6.019 6.739 3.268 1.00 8.11 C ATOM 790 CZ2 TRP A 816 5.711 7.587 0.576 1.00 9.51 C ATOM 791 CZ3 TRP A 816 5.929 5.822 2.231 1.00 9.52 C ATOM 792 CH2 TRP A 816 5.801 6.249 0.902 1.00 10.84 C ATOM 793 HE1 TRP A 816 5.607 10.474 0.757 1.00 0.00 H ATOM 794 H TRP A 816 7.149 9.511 7.680 1.00 0.00 H ATOM 795 N ARG A 817 8.748 11.279 5.256 1.00 5.30 N ATOM 796 CA ARG A 817 9.614 12.221 4.529 1.00 5.33 C ATOM 797 C ARG A 817 11.066 11.743 4.592 1.00 7.90 C ATOM 798 O ARG A 817 11.761 11.801 3.588 1.00 7.26 O ATOM 799 CB ARG A 817 9.520 13.647 5.080 1.00 5.97 C ATOM 800 CG ARG A 817 8.163 14.343 4.861 1.00 9.04 C ATOM 801 CD ARG A 817 8.216 15.827 5.213 1.00 9.80 C ATOM 802 NE ARG A 817 8.564 16.102 6.615 1.00 9.66 N ATOM 803 CZ ARG A 817 7.722 16.017 7.638 1.00 11.07 C ATOM 804 NH1 ARG A 817 6.477 15.603 7.449 1.00 5.18 N ATOM 805 NH2 ARG A 817 8.128 16.318 8.867 1.00 8.43 N ATOM 806 HE ARG A 817 9.544 16.384 6.821 1.00 0.00 H ATOM 807 HH12 ARG A 817 5.822 15.539 8.255 1.00 0.00 H ATOM 808 HH11 ARG A 817 6.155 15.343 6.495 1.00 0.00 H ATOM 809 HH22 ARG A 817 7.465 16.250 9.665 1.00 0.00 H ATOM 810 HH21 ARG A 817 9.109 16.622 9.031 1.00 0.00 H ATOM 811 H ARG A 817 8.235 11.596 6.103 1.00 0.00 H ATOM 812 N SER A 818 11.492 11.241 5.764 1.00 5.70 N ATOM 813 CA SER A 818 12.832 10.713 5.996 1.00 5.72 C ATOM 814 C SER A 818 13.128 9.543 5.047 1.00 9.65 C ATOM 815 O SER A 818 14.169 9.518 4.389 1.00 8.68 O ATOM 816 CB SER A 818 12.980 10.291 7.453 1.00 7.13 C ATOM 817 OG SER A 818 12.800 11.437 8.270 1.00 7.52 O ATOM 818 HG SER A 818 11.897 11.813 8.115 1.00 0.00 H ATOM 819 H SER A 818 10.821 11.228 6.559 1.00 0.00 H ATOM 820 N TYR A 819 12.168 8.622 4.937 1.00 7.95 N ATOM 821 CA TYR A 819 12.222 7.476 4.029 1.00 8.06 C ATOM 822 C TYR A 819 12.228 7.907 2.556 1.00 9.67 C ATOM 823 O TYR A 819 13.072 7.438 1.801 1.00 9.31 O ATOM 824 CB TYR A 819 11.025 6.551 4.329 1.00 9.18 C ATOM 825 CG TYR A 819 10.754 5.456 3.321 1.00 11.20 C ATOM 826 CD1 TYR A 819 11.733 4.519 2.996 1.00 13.16 C ATOM 827 CD2 TYR A 819 9.478 5.276 2.793 1.00 12.10 C ATOM 828 CE1 TYR A 819 11.452 3.443 2.149 1.00 12.69 C ATOM 829 CE2 TYR A 819 9.189 4.212 1.944 1.00 13.91 C ATOM 830 CZ TYR A 819 10.182 3.308 1.611 1.00 19.29 C ATOM 831 OH TYR A 819 9.871 2.271 0.766 1.00 26.61 O ATOM 832 HH TYR A 819 9.154 1.721 1.171 1.00 0.00 H ATOM 833 H TYR A 819 11.325 8.726 5.537 1.00 0.00 H ATOM 834 N LYS A 820 11.256 8.730 2.132 1.00 7.16 N ATOM 835 CA LYS A 820 11.121 9.142 0.734 1.00 8.39 C ATOM 836 C LYS A 820 12.311 9.998 0.244 1.00 14.46 C ATOM 837 O LYS A 820 12.814 9.765 -0.850 1.00 14.97 O ATOM 838 CB LYS A 820 9.781 9.857 0.524 1.00 11.83 C ATOM 839 CG LYS A 820 9.433 10.223 -0.916 1.00 21.22 C ATOM 840 CD LYS A 820 8.307 11.237 -0.918 1.00 36.13 C ATOM 841 CE LYS A 820 8.179 11.991 -2.220 1.00 53.09 C ATOM 842 NZ LYS A 820 7.122 13.038 -2.143 1.00 64.54 N ATOM 843 HZ1 LYS A 820 6.208 12.591 -1.930 1.00 0.00 H ATOM 844 HZ2 LYS A 820 7.361 13.716 -1.392 1.00 0.00 H ATOM 845 HZ3 LYS A 820 7.062 13.536 -3.054 1.00 0.00 H ATOM 846 H LYS A 820 10.570 9.090 2.826 1.00 0.00 H ATOM 847 N HIS A 821 12.746 10.970 1.044 1.00 11.42 N ATOM 848 CA HIS A 821 13.785 11.906 0.605 1.00 12.49 C ATOM 849 C HIS A 821 15.218 11.510 0.943 1.00 15.39 C ATOM 850 O HIS A 821 16.133 11.997 0.267 1.00 17.02 O ATOM 851 CB HIS A 821 13.478 13.316 1.134 1.00 13.69 C ATOM 852 CG HIS A 821 12.129 13.835 0.743 1.00 17.38 C ATOM 853 ND1 HIS A 821 11.816 14.118 -0.579 1.00 20.10 N ATOM 854 CD2 HIS A 821 11.053 14.109 1.514 1.00 18.68 C ATOM 855 CE1 HIS A 821 10.561 14.547 -0.568 1.00 19.19 C ATOM 856 NE2 HIS A 821 10.060 14.566 0.667 1.00 18.66 N ATOM 857 H HIS A 821 12.341 11.067 1.997 1.00 0.00 H ATOM 858 N THR A 822 15.457 10.659 1.966 1.00 11.04 N ATOM 859 CA THR A 822 16.846 10.318 2.345 1.00 12.28 C ATOM 860 C THR A 822 17.129 8.808 2.454 1.00 15.27 C ATOM 861 O THR A 822 18.207 8.432 2.897 1.00 14.39 O ATOM 862 CB THR A 822 17.253 11.038 3.689 1.00 19.46 C ATOM 863 OG1 THR A 822 16.631 10.383 4.795 1.00 12.04 O ATOM 864 CG2 THR A 822 16.868 12.543 3.742 1.00 17.74 C ATOM 865 HG1 THR A 822 15.647 10.419 4.688 1.00 0.00 H ATOM 866 H THR A 822 14.661 10.242 2.489 1.00 0.00 H ATOM 867 N ASN A 823 16.149 7.944 2.107 1.00 13.05 N ATOM 868 CA ASN A 823 16.211 6.492 2.287 1.00 12.55 C ATOM 869 C ASN A 823 16.440 6.153 3.786 1.00 13.55 C ATOM 870 O ASN A 823 17.129 5.200 4.140 1.00 14.24 O ATOM 871 CB ASN A 823 17.176 5.785 1.330 1.00 14.70 C ATOM 872 CG ASN A 823 16.900 4.307 1.242 1.00 29.07 C ATOM 873 OD1 ASN A 823 17.762 3.473 1.525 1.00 28.97 O ATOM 874 ND2 ASN A 823 15.679 3.948 0.897 1.00 15.47 N ATOM 875 HD22 ASN A 823 14.971 4.673 0.663 1.00 0.00 H ATOM 876 HD21 ASN A 823 15.424 2.940 0.859 1.00 0.00 H ATOM 877 H ASN A 823 15.287 8.340 1.681 1.00 0.00 H ATOM 878 N SER A 824 15.847 6.989 4.656 1.00 11.10 N ATOM 879 CA SER A 824 15.861 6.887 6.116 1.00 10.67 C ATOM 880 C SER A 824 17.264 6.999 6.708 1.00 16.12 C ATOM 881 O SER A 824 17.545 6.377 7.732 1.00 18.38 O ATOM 882 CB SER A 824 15.131 5.627 6.586 1.00 11.64 C ATOM 883 OG SER A 824 13.748 5.746 6.284 1.00 13.43 O ATOM 884 HG SER A 824 13.274 4.932 6.587 1.00 0.00 H ATOM 885 H SER A 824 15.324 7.791 4.250 1.00 0.00 H ATOM 886 N GLN A 825 18.141 7.800 6.060 1.00 12.89 N ATOM 887 CA GLN A 825 19.496 8.061 6.557 1.00 14.00 C ATOM 888 C GLN A 825 19.484 9.259 7.522 1.00 15.61 C ATOM 889 O GLN A 825 20.324 9.322 8.416 1.00 14.93 O ATOM 890 CB GLN A 825 20.469 8.339 5.397 1.00 15.61 C ATOM 891 CG GLN A 825 20.765 7.119 4.522 1.00 29.87 C ATOM 892 CD GLN A 825 21.399 7.500 3.205 1.00 62.58 C ATOM 893 OE1 GLN A 825 22.236 8.414 3.120 1.00 61.50 O ATOM 894 NE2 GLN A 825 21.039 6.779 2.147 1.00 57.54 N ATOM 895 HE22 GLN A 825 20.335 6.020 2.250 1.00 0.00 H ATOM 896 HE21 GLN A 825 21.461 6.974 1.217 1.00 0.00 H ATOM 897 H GLN A 825 17.841 8.250 5.171 1.00 0.00 H ATOM 898 N PHE A 826 18.545 10.216 7.332 1.00 12.18 N ATOM 899 CA PHE A 826 18.431 11.419 8.165 1.00 11.40 C ATOM 900 C PHE A 826 16.987 11.685 8.572 1.00 13.25 C ATOM 901 O PHE A 826 16.088 11.105 7.983 1.00 13.29 O ATOM 902 CB PHE A 826 18.954 12.643 7.393 1.00 12.58 C ATOM 903 CG PHE A 826 20.386 12.539 6.914 1.00 14.34 C ATOM 904 CD1 PHE A 826 21.441 12.518 7.820 1.00 16.48 C ATOM 905 CD2 PHE A 826 20.674 12.457 5.557 1.00 16.10 C ATOM 906 CE1 PHE A 826 22.768 12.423 7.375 1.00 18.72 C ATOM 907 CE2 PHE A 826 22.000 12.380 5.111 1.00 19.22 C ATOM 908 CZ PHE A 826 23.035 12.351 6.027 1.00 18.73 C ATOM 909 H PHE A 826 17.867 10.092 6.553 1.00 0.00 H ATOM 910 N LEU A 827 16.750 12.600 9.535 1.00 11.18 N ATOM 911 CA LEU A 827 15.373 12.981 9.875 1.00 10.35 C ATOM 912 C LEU A 827 15.015 14.221 9.061 1.00 10.27 C ATOM 913 O LEU A 827 15.519 15.331 9.330 1.00 9.52 O ATOM 914 CB LEU A 827 15.179 13.230 11.392 1.00 10.69 C ATOM 915 CG LEU A 827 15.301 11.992 12.306 1.00 14.56 C ATOM 916 CD1 LEU A 827 15.177 12.400 13.761 1.00 15.98 C ATOM 917 CD2 LEU A 827 14.185 10.971 12.009 1.00 17.71 C ATOM 918 H LEU A 827 17.547 13.038 10.039 1.00 0.00 H ATOM 919 N TYR A 828 14.179 14.019 8.026 1.00 6.68 N ATOM 920 CA TYR A 828 13.759 15.086 7.105 1.00 5.72 C ATOM 921 C TYR A 828 12.569 15.895 7.667 1.00 7.31 C ATOM 922 O TYR A 828 11.415 15.664 7.282 1.00 5.39 O ATOM 923 CB TYR A 828 13.474 14.486 5.713 1.00 5.81 C ATOM 924 CG TYR A 828 13.434 15.450 4.547 1.00 7.81 C ATOM 925 CD1 TYR A 828 12.288 16.187 4.265 1.00 9.72 C ATOM 926 CD2 TYR A 828 14.524 15.576 3.680 1.00 9.10 C ATOM 927 CE1 TYR A 828 12.235 17.060 3.180 1.00 11.01 C ATOM 928 CE2 TYR A 828 14.473 16.432 2.577 1.00 9.92 C ATOM 929 CZ TYR A 828 13.310 17.148 2.316 1.00 16.12 C ATOM 930 OH TYR A 828 13.212 17.981 1.233 1.00 17.52 O ATOM 931 HH TYR A 828 13.348 17.459 0.403 1.00 0.00 H ATOM 932 H TYR A 828 13.811 13.059 7.869 1.00 0.00 H ATOM 933 N PHE A 829 12.847 16.843 8.595 1.00 7.17 N ATOM 934 CA PHE A 829 11.763 17.654 9.164 1.00 6.79 C ATOM 935 C PHE A 829 11.120 18.527 8.099 1.00 8.01 C ATOM 936 O PHE A 829 9.895 18.629 8.029 1.00 6.60 O ATOM 937 CB PHE A 829 12.256 18.509 10.339 1.00 8.29 C ATOM 938 CG PHE A 829 12.516 17.676 11.570 1.00 9.24 C ATOM 939 CD1 PHE A 829 11.488 17.374 12.454 1.00 10.59 C ATOM 940 CD2 PHE A 829 13.794 17.210 11.857 1.00 11.10 C ATOM 941 CE1 PHE A 829 11.732 16.617 13.599 1.00 10.29 C ATOM 942 CE2 PHE A 829 14.029 16.429 12.992 1.00 12.30 C ATOM 943 CZ PHE A 829 13.002 16.149 13.854 1.00 10.33 C ATOM 944 H PHE A 829 13.828 16.996 8.904 1.00 0.00 H ATOM 945 N ALA A 830 11.955 19.122 7.242 1.00 5.87 N ATOM 946 CA ALA A 830 11.528 20.018 6.177 1.00 5.94 C ATOM 947 C ALA A 830 12.682 20.119 5.192 1.00 9.48 C ATOM 948 O ALA A 830 13.808 19.826 5.582 1.00 8.34 O ATOM 949 CB ALA A 830 11.212 21.402 6.758 1.00 6.44 C ATOM 950 H ALA A 830 12.973 18.933 7.342 1.00 0.00 H ATOM 951 N PRO A 831 12.452 20.574 3.934 1.00 8.98 N ATOM 952 CA PRO A 831 13.586 20.747 2.997 1.00 8.94 C ATOM 953 C PRO A 831 14.760 21.571 3.566 1.00 13.43 C ATOM 954 O PRO A 831 15.934 21.314 3.239 1.00 14.45 O ATOM 955 CB PRO A 831 12.950 21.532 1.849 1.00 10.24 C ATOM 956 CG PRO A 831 11.521 21.189 1.878 1.00 14.31 C ATOM 957 CD PRO A 831 11.166 20.989 3.319 1.00 10.04 C ATOM 958 N ASP A 832 14.435 22.589 4.381 1.00 10.67 N ATOM 959 CA ASP A 832 15.391 23.530 4.988 1.00 11.50 C ATOM 960 C ASP A 832 15.836 23.088 6.402 1.00 14.67 C ATOM 961 O ASP A 832 16.584 23.813 7.070 1.00 14.76 O ATOM 962 CB ASP A 832 14.811 24.972 4.986 1.00 12.45 C ATOM 963 CG ASP A 832 13.517 25.183 5.760 1.00 17.46 C ATOM 964 OD1 ASP A 832 12.722 24.217 5.877 1.00 12.81 O ATOM 965 OD2 ASP A 832 13.264 26.331 6.194 1.00 16.29 O ATOM 966 H ASP A 832 13.427 22.723 4.601 1.00 0.00 H ATOM 967 N LEU A 833 15.391 21.903 6.848 1.00 10.33 N ATOM 968 CA LEU A 833 15.739 21.375 8.179 1.00 10.11 C ATOM 969 C LEU A 833 15.819 19.844 8.208 1.00 11.82 C ATOM 970 O LEU A 833 14.812 19.147 8.412 1.00 11.02 O ATOM 971 CB LEU A 833 14.787 21.930 9.267 1.00 9.72 C ATOM 972 CG LEU A 833 15.113 21.546 10.716 1.00 13.52 C ATOM 973 CD1 LEU A 833 16.501 22.033 11.142 1.00 14.18 C ATOM 974 CD2 LEU A 833 14.056 22.034 11.645 1.00 12.99 C ATOM 975 H LEU A 833 14.777 21.335 6.230 1.00 0.00 H ATOM 976 N VAL A 834 17.031 19.334 7.992 1.00 9.53 N ATOM 977 CA VAL A 834 17.321 17.901 7.907 1.00 9.37 C ATOM 978 C VAL A 834 18.337 17.581 9.012 1.00 12.47 C ATOM 979 O VAL A 834 19.434 18.129 8.996 1.00 12.94 O ATOM 980 CB VAL A 834 17.830 17.506 6.477 1.00 10.64 C ATOM 981 CG1 VAL A 834 18.048 16.001 6.373 1.00 10.59 C ATOM 982 CG2 VAL A 834 16.857 17.978 5.376 1.00 9.39 C ATOM 983 H VAL A 834 17.823 19.998 7.876 1.00 0.00 H ATOM 984 N PHE A 835 17.955 16.748 9.984 1.00 9.66 N ATOM 985 CA PHE A 835 18.811 16.417 11.119 1.00 10.86 C ATOM 986 C PHE A 835 19.821 15.337 10.823 1.00 16.04 C ATOM 987 O PHE A 835 19.473 14.243 10.363 1.00 16.53 O ATOM 988 CB PHE A 835 17.977 15.976 12.337 1.00 11.79 C ATOM 989 CG PHE A 835 17.445 17.043 13.261 1.00 13.15 C ATOM 990 CD1 PHE A 835 17.031 18.278 12.767 1.00 15.12 C ATOM 991 CD2 PHE A 835 17.226 16.769 14.607 1.00 15.01 C ATOM 992 CE1 PHE A 835 16.505 19.247 13.620 1.00 15.87 C ATOM 993 CE2 PHE A 835 16.696 17.740 15.457 1.00 17.59 C ATOM 994 CZ PHE A 835 16.346 18.976 14.961 1.00 15.53 C ATOM 995 H PHE A 835 17.010 16.318 9.930 1.00 0.00 H ATOM 996 N ASN A 836 21.065 15.647 11.162 1.00 15.31 N ATOM 997 CA ASN A 836 22.221 14.761 11.157 1.00 14.99 C ATOM 998 C ASN A 836 22.463 14.492 12.653 1.00 15.83 C ATOM 999 O ASN A 836 21.696 14.995 13.482 1.00 13.39 O ATOM 1000 CB ASN A 836 23.423 15.465 10.502 1.00 14.96 C ATOM 1001 CG ASN A 836 23.792 16.827 11.060 1.00 26.15 C ATOM 1002 OD1 ASN A 836 23.098 17.422 11.902 1.00 19.01 O ATOM 1003 ND2 ASN A 836 24.917 17.351 10.613 1.00 25.48 N ATOM 1004 HD22 ASN A 836 25.485 16.839 9.908 1.00 0.00 H ATOM 1005 HD21 ASN A 836 25.236 18.276 10.965 1.00 0.00 H ATOM 1006 H ASN A 836 21.233 16.628 11.464 1.00 0.00 H ATOM 1007 N GLU A 837 23.530 13.742 13.004 1.00 15.28 N ATOM 1008 CA GLU A 837 23.891 13.438 14.403 1.00 15.50 C ATOM 1009 C GLU A 837 24.007 14.716 15.232 1.00 17.27 C ATOM 1010 O GLU A 837 23.514 14.756 16.357 1.00 16.91 O ATOM 1011 CB GLU A 837 25.248 12.703 14.455 1.00 17.40 C ATOM 1012 CG GLU A 837 25.208 11.280 13.932 1.00 28.07 C ATOM 1013 CD GLU A 837 24.367 10.306 14.731 1.00 44.84 C ATOM 1014 OE1 GLU A 837 24.439 10.325 15.981 1.00 32.93 O ATOM 1015 OE2 GLU A 837 23.648 9.502 14.097 1.00 48.42 O ATOM 1016 H GLU A 837 24.131 13.357 12.247 1.00 0.00 H ATOM 1017 N GLU A 838 24.668 15.751 14.661 1.00 15.26 N ATOM 1018 CA GLU A 838 24.912 17.047 15.275 1.00 15.35 C ATOM 1019 C GLU A 838 23.625 17.691 15.767 1.00 16.12 C ATOM 1020 O GLU A 838 23.529 18.013 16.936 1.00 15.68 O ATOM 1021 CB GLU A 838 25.681 17.959 14.304 1.00 17.18 C ATOM 1022 CG GLU A 838 25.850 19.402 14.749 1.00 27.18 C ATOM 1023 CD GLU A 838 26.865 19.677 15.838 1.00 60.38 C ATOM 1024 OE1 GLU A 838 26.998 20.857 16.228 1.00 65.81 O ATOM 1025 OE2 GLU A 838 27.556 18.729 16.274 1.00 65.44 O ATOM 1026 H GLU A 838 25.034 15.606 13.698 1.00 0.00 H ATOM 1027 N LYS A 839 22.630 17.829 14.885 1.00 13.36 N ATOM 1028 CA LYS A 839 21.352 18.440 15.232 1.00 12.67 C ATOM 1029 C LYS A 839 20.560 17.601 16.225 1.00 14.09 C ATOM 1030 O LYS A 839 19.965 18.168 17.142 1.00 13.65 O ATOM 1031 CB LYS A 839 20.563 18.780 13.972 1.00 13.94 C ATOM 1032 CG LYS A 839 21.038 20.098 13.384 1.00 20.71 C ATOM 1033 CD LYS A 839 20.201 20.525 12.203 1.00 24.08 C ATOM 1034 CE LYS A 839 20.654 21.858 11.647 1.00 30.01 C ATOM 1035 NZ LYS A 839 21.971 21.766 10.974 1.00 34.25 N ATOM 1036 HZ1 LYS A 839 22.685 21.440 11.656 1.00 0.00 H ATOM 1037 HZ2 LYS A 839 21.910 21.091 10.185 1.00 0.00 H ATOM 1038 HZ3 LYS A 839 22.239 22.703 10.610 1.00 0.00 H ATOM 1039 H LYS A 839 22.773 17.487 13.913 1.00 0.00 H ATOM 1040 N MET A 840 20.636 16.263 16.112 1.00 12.45 N ATOM 1041 CA MET A 840 19.994 15.341 17.070 1.00 12.65 C ATOM 1042 C MET A 840 20.531 15.591 18.486 1.00 15.00 C ATOM 1043 O MET A 840 19.744 15.668 19.428 1.00 15.64 O ATOM 1044 CB MET A 840 20.227 13.889 16.668 1.00 14.34 C ATOM 1045 CG MET A 840 19.340 13.452 15.539 1.00 17.47 C ATOM 1046 SD MET A 840 19.822 11.870 14.839 1.00 23.37 S ATOM 1047 CE MET A 840 19.787 10.837 16.242 1.00 20.50 C ATOM 1048 H MET A 840 21.170 15.860 15.316 1.00 0.00 H ATOM 1049 N HIS A 841 21.848 15.787 18.624 1.00 13.20 N ATOM 1050 CA HIS A 841 22.443 16.123 19.910 1.00 14.28 C ATOM 1051 C HIS A 841 22.053 17.532 20.358 1.00 17.56 C ATOM 1052 O HIS A 841 21.665 17.703 21.512 1.00 17.79 O ATOM 1053 CB HIS A 841 23.981 15.974 19.878 1.00 16.05 C ATOM 1054 CG HIS A 841 24.430 14.549 19.934 1.00 18.88 C ATOM 1055 ND1 HIS A 841 24.243 13.781 21.069 1.00 20.71 N ATOM 1056 CD2 HIS A 841 25.048 13.795 18.997 1.00 20.19 C ATOM 1057 CE1 HIS A 841 24.755 12.593 20.791 1.00 20.39 C ATOM 1058 NE2 HIS A 841 25.237 12.550 19.552 1.00 20.54 N ATOM 1059 H HIS A 841 22.463 15.697 17.790 1.00 0.00 H ATOM 1060 N GLN A 842 22.151 18.533 19.455 1.00 15.72 N ATOM 1061 CA GLN A 842 21.857 19.946 19.762 1.00 16.10 C ATOM 1062 C GLN A 842 20.423 20.185 20.223 1.00 18.61 C ATOM 1063 O GLN A 842 20.195 21.018 21.100 1.00 20.04 O ATOM 1064 CB GLN A 842 22.196 20.868 18.580 1.00 17.41 C ATOM 1065 CG GLN A 842 23.694 20.962 18.259 1.00 25.89 C ATOM 1066 CD GLN A 842 23.995 21.728 16.984 1.00 43.03 C ATOM 1067 OE1 GLN A 842 23.349 21.553 15.939 1.00 37.08 O ATOM 1068 NE2 GLN A 842 25.003 22.599 17.039 1.00 33.57 N ATOM 1069 HE22 GLN A 842 25.530 22.729 17.926 1.00 0.00 H ATOM 1070 HE21 GLN A 842 25.262 23.149 16.195 1.00 0.00 H ATOM 1071 H GLN A 842 22.451 18.294 18.488 1.00 0.00 H ATOM 1072 N SER A 843 19.464 19.429 19.664 1.00 13.75 N ATOM 1073 CA SER A 843 18.035 19.540 19.961 1.00 13.00 C ATOM 1074 C SER A 843 17.689 19.096 21.382 1.00 17.58 C ATOM 1075 O SER A 843 16.525 19.237 21.791 1.00 16.84 O ATOM 1076 CB SER A 843 17.244 18.678 18.985 1.00 14.45 C ATOM 1077 OG SER A 843 17.417 17.300 19.262 1.00 15.32 O ATOM 1078 HG SER A 843 18.376 17.067 19.184 1.00 0.00 H ATOM 1079 H SER A 843 19.758 18.713 18.970 1.00 0.00 H ATOM 1080 N ALA A 844 18.669 18.500 22.110 1.00 15.61 N ATOM 1081 CA ALA A 844 18.493 17.893 23.448 1.00 16.08 C ATOM 1082 C ALA A 844 17.432 16.755 23.431 1.00 19.32 C ATOM 1083 O ALA A 844 16.911 16.364 24.482 1.00 20.22 O ATOM 1084 CB ALA A 844 18.178 18.948 24.513 1.00 16.85 C ATOM 1085 H ALA A 844 19.621 18.468 21.693 1.00 0.00 H ATOM 1086 N MET A 845 17.147 16.200 22.228 1.00 14.46 N ATOM 1087 CA MET A 845 16.210 15.079 22.031 1.00 13.52 C ATOM 1088 C MET A 845 16.891 13.889 21.343 1.00 15.71 C ATOM 1089 O MET A 845 16.238 13.200 20.563 1.00 14.70 O ATOM 1090 CB MET A 845 15.014 15.497 21.149 1.00 14.55 C ATOM 1091 CG MET A 845 14.235 16.652 21.662 1.00 17.52 C ATOM 1092 SD MET A 845 12.716 16.869 20.699 1.00 21.01 S ATOM 1093 CE MET A 845 11.956 15.244 20.843 1.00 18.04 C ATOM 1094 H MET A 845 17.620 16.591 21.388 1.00 0.00 H ATOM 1095 N TYR A 846 18.188 13.653 21.600 1.00 13.51 N ATOM 1096 CA TYR A 846 18.944 12.592 20.935 1.00 13.80 C ATOM 1097 C TYR A 846 18.294 11.193 20.971 1.00 15.66 C ATOM 1098 O TYR A 846 18.070 10.605 19.906 1.00 14.17 O ATOM 1099 CB TYR A 846 20.381 12.519 21.455 1.00 16.57 C ATOM 1100 CG TYR A 846 21.232 11.577 20.629 1.00 18.42 C ATOM 1101 CD1 TYR A 846 21.720 11.960 19.383 1.00 20.15 C ATOM 1102 CD2 TYR A 846 21.488 10.276 21.061 1.00 20.27 C ATOM 1103 CE1 TYR A 846 22.473 11.084 18.601 1.00 21.70 C ATOM 1104 CE2 TYR A 846 22.225 9.386 20.280 1.00 21.98 C ATOM 1105 CZ TYR A 846 22.724 9.798 19.055 1.00 28.45 C ATOM 1106 OH TYR A 846 23.457 8.929 18.284 1.00 27.87 O ATOM 1107 HH TYR A 846 23.733 9.383 17.449 1.00 0.00 H ATOM 1108 H TYR A 846 18.674 14.249 22.300 1.00 0.00 H ATOM 1109 N GLU A 847 17.985 10.669 22.167 1.00 12.97 N ATOM 1110 CA GLU A 847 17.385 9.329 22.280 1.00 13.63 C ATOM 1111 C GLU A 847 16.012 9.233 21.595 1.00 15.11 C ATOM 1112 O GLU A 847 15.712 8.212 20.977 1.00 13.60 O ATOM 1113 CB GLU A 847 17.339 8.855 23.736 1.00 15.44 C ATOM 1114 CG GLU A 847 18.713 8.481 24.268 1.00 30.44 C ATOM 1115 CD GLU A 847 18.895 8.569 25.773 1.00 70.20 C ATOM 1116 OE1 GLU A 847 18.697 9.671 26.336 1.00 71.74 O ATOM 1117 OE2 GLU A 847 19.302 7.552 26.380 1.00 71.54 O ATOM 1118 H GLU A 847 18.173 11.219 23.029 1.00 0.00 H ATOM 1119 N LEU A 848 15.207 10.312 21.661 1.00 12.89 N ATOM 1120 CA LEU A 848 13.904 10.367 21.007 1.00 12.39 C ATOM 1121 C LEU A 848 14.063 10.392 19.492 1.00 13.60 C ATOM 1122 O LEU A 848 13.298 9.728 18.791 1.00 12.37 O ATOM 1123 CB LEU A 848 13.062 11.561 21.519 1.00 13.06 C ATOM 1124 CG LEU A 848 12.647 11.436 22.991 1.00 18.61 C ATOM 1125 CD1 LEU A 848 12.189 12.749 23.555 1.00 19.09 C ATOM 1126 CD2 LEU A 848 11.551 10.428 23.156 1.00 22.20 C ATOM 1127 H LEU A 848 15.528 11.141 22.201 1.00 0.00 H ATOM 1128 N CYS A 849 15.065 11.142 18.991 1.00 10.80 N ATOM 1129 CA CYS A 849 15.396 11.235 17.561 1.00 12.25 C ATOM 1130 C CYS A 849 15.813 9.836 17.036 1.00 14.31 C ATOM 1131 O CYS A 849 15.460 9.473 15.912 1.00 13.54 O ATOM 1132 CB CYS A 849 16.506 12.261 17.336 1.00 13.36 C ATOM 1133 SG CYS A 849 15.936 13.977 17.247 1.00 16.83 S ATOM 1134 H CYS A 849 15.642 11.691 19.660 1.00 0.00 H ATOM 1135 N GLN A 850 16.567 9.069 17.846 1.00 12.43 N ATOM 1136 CA GLN A 850 16.981 7.699 17.489 1.00 13.12 C ATOM 1137 C GLN A 850 15.786 6.748 17.405 1.00 15.66 C ATOM 1138 O GLN A 850 15.729 5.930 16.479 1.00 13.89 O ATOM 1139 CB GLN A 850 18.052 7.164 18.439 1.00 15.01 C ATOM 1140 CG GLN A 850 19.480 7.561 18.039 1.00 35.79 C ATOM 1141 CD GLN A 850 19.955 6.952 16.725 1.00 64.66 C ATOM 1142 OE1 GLN A 850 19.569 5.841 16.328 1.00 62.69 O ATOM 1143 NE2 GLN A 850 20.835 7.658 16.031 1.00 59.75 N ATOM 1144 HE22 GLN A 850 21.147 8.587 16.379 1.00 0.00 H ATOM 1145 HE21 GLN A 850 21.214 7.283 15.138 1.00 0.00 H ATOM 1146 H GLN A 850 16.870 9.459 18.761 1.00 0.00 H ATOM 1147 N GLY A 851 14.821 6.906 18.327 1.00 13.48 N ATOM 1148 CA GLY A 851 13.583 6.129 18.338 1.00 13.51 C ATOM 1149 C GLY A 851 12.784 6.376 17.074 1.00 17.67 C ATOM 1150 O GLY A 851 12.258 5.443 16.458 1.00 17.18 O ATOM 1151 H GLY A 851 14.962 7.618 19.071 1.00 0.00 H ATOM 1152 N MET A 852 12.764 7.639 16.637 1.00 14.46 N ATOM 1153 CA MET A 852 12.089 8.065 15.423 1.00 13.56 C ATOM 1154 C MET A 852 12.785 7.473 14.190 1.00 16.82 C ATOM 1155 O MET A 852 12.113 6.943 13.307 1.00 15.31 O ATOM 1156 CB MET A 852 12.039 9.605 15.356 1.00 16.25 C ATOM 1157 CG MET A 852 11.348 10.111 14.140 1.00 20.23 C ATOM 1158 SD MET A 852 9.563 10.118 14.363 1.00 24.66 S ATOM 1159 CE MET A 852 9.119 8.563 13.641 1.00 21.06 C ATOM 1160 H MET A 852 13.261 8.359 17.199 1.00 0.00 H ATOM 1161 N HIS A 853 14.124 7.533 14.152 1.00 15.00 N ATOM 1162 CA HIS A 853 14.918 6.975 13.063 1.00 17.03 C ATOM 1163 C HIS A 853 14.642 5.468 12.916 1.00 21.51 C ATOM 1164 O HIS A 853 14.589 4.979 11.788 1.00 20.77 O ATOM 1165 CB HIS A 853 16.412 7.246 13.323 1.00 19.52 C ATOM 1166 CG HIS A 853 17.335 6.738 12.265 1.00 23.87 C ATOM 1167 ND1 HIS A 853 18.448 5.979 12.589 1.00 27.30 N ATOM 1168 CD2 HIS A 853 17.296 6.905 10.926 1.00 25.54 C ATOM 1169 CE1 HIS A 853 19.050 5.719 11.439 1.00 26.82 C ATOM 1170 NE2 HIS A 853 18.392 6.256 10.412 1.00 26.33 N ATOM 1171 H HIS A 853 14.621 8.000 14.937 1.00 0.00 H ATOM 1172 N GLN A 854 14.399 4.754 14.046 1.00 18.11 N ATOM 1173 CA GLN A 854 14.075 3.314 14.049 1.00 18.36 C ATOM 1174 C GLN A 854 12.785 3.010 13.279 1.00 19.50 C ATOM 1175 O GLN A 854 12.736 2.011 12.568 1.00 20.35 O ATOM 1176 CB GLN A 854 14.012 2.738 15.480 1.00 20.19 C ATOM 1177 CG GLN A 854 15.369 2.544 16.140 1.00 39.05 C ATOM 1178 CD GLN A 854 16.191 1.446 15.502 1.00 67.63 C ATOM 1179 OE1 GLN A 854 15.819 0.264 15.512 1.00 65.96 O ATOM 1180 NE2 GLN A 854 17.337 1.812 14.942 1.00 59.62 N ATOM 1181 HE22 GLN A 854 17.623 2.812 14.949 1.00 0.00 H ATOM 1182 HE21 GLN A 854 17.949 1.099 14.496 1.00 0.00 H ATOM 1183 H GLN A 854 14.444 5.249 14.959 1.00 0.00 H ATOM 1184 N ILE A 855 11.758 3.888 13.388 1.00 13.42 N ATOM 1185 CA ILE A 855 10.497 3.768 12.651 1.00 12.48 C ATOM 1186 C ILE A 855 10.777 3.964 11.153 1.00 13.85 C ATOM 1187 O ILE A 855 10.319 3.158 10.348 1.00 11.71 O ATOM 1188 CB ILE A 855 9.398 4.755 13.176 1.00 15.12 C ATOM 1189 CG1 ILE A 855 9.050 4.493 14.666 1.00 15.99 C ATOM 1190 CG2 ILE A 855 8.151 4.749 12.270 1.00 14.77 C ATOM 1191 CD1 ILE A 855 8.252 3.133 14.993 1.00 20.90 C ATOM 1192 H ILE A 855 11.872 4.695 14.034 1.00 0.00 H ATOM 1193 N SER A 856 11.561 5.003 10.786 1.00 10.75 N ATOM 1194 CA SER A 856 11.889 5.248 9.376 1.00 10.52 C ATOM 1195 C SER A 856 12.702 4.071 8.794 1.00 12.69 C ATOM 1196 O SER A 856 12.526 3.707 7.627 1.00 10.93 O ATOM 1197 CB SER A 856 12.584 6.597 9.200 1.00 13.84 C ATOM 1198 OG SER A 856 13.918 6.546 9.677 1.00 25.51 O ATOM 1199 HG SER A 856 14.346 7.430 9.552 1.00 0.00 H ATOM 1200 H SER A 856 11.939 5.640 11.516 1.00 0.00 H ATOM 1201 N LEU A 857 13.537 3.420 9.640 1.00 11.24 N ATOM 1202 CA LEU A 857 14.270 2.237 9.216 1.00 12.55 C ATOM 1203 C LEU A 857 13.308 1.067 8.950 1.00 14.84 C ATOM 1204 O LEU A 857 13.592 0.253 8.077 1.00 14.80 O ATOM 1205 CB LEU A 857 15.379 1.861 10.213 1.00 13.46 C ATOM 1206 CG LEU A 857 16.606 2.782 10.220 1.00 19.11 C ATOM 1207 CD1 LEU A 857 17.588 2.389 11.344 1.00 19.84 C ATOM 1208 CD2 LEU A 857 17.348 2.744 8.879 1.00 22.09 C ATOM 1209 H LEU A 857 13.656 3.773 10.611 1.00 0.00 H ATOM 1210 N GLN A 858 12.155 1.006 9.657 1.00 10.95 N ATOM 1211 CA GLN A 858 11.147 -0.034 9.408 1.00 10.36 C ATOM 1212 C GLN A 858 10.441 0.188 8.052 1.00 13.06 C ATOM 1213 O GLN A 858 10.084 -0.787 7.392 1.00 13.68 O ATOM 1214 CB GLN A 858 10.130 -0.124 10.552 1.00 10.37 C ATOM 1215 CG GLN A 858 10.673 -0.813 11.802 1.00 25.57 C ATOM 1216 CD GLN A 858 10.997 -2.257 11.520 1.00 51.67 C ATOM 1217 OE1 GLN A 858 10.149 -3.026 11.056 1.00 49.37 O ATOM 1218 NE2 GLN A 858 12.250 -2.632 11.721 1.00 47.84 N ATOM 1219 HE22 GLN A 858 12.938 -1.958 12.114 1.00 0.00 H ATOM 1220 HE21 GLN A 858 12.547 -3.601 11.486 1.00 0.00 H ATOM 1221 H GLN A 858 11.978 1.715 10.397 1.00 0.00 H ATOM 1222 N PHE A 859 10.293 1.469 7.619 1.00 10.07 N ATOM 1223 CA PHE A 859 9.721 1.812 6.312 1.00 8.47 C ATOM 1224 C PHE A 859 10.616 1.207 5.216 1.00 11.96 C ATOM 1225 O PHE A 859 10.110 0.647 4.243 1.00 12.00 O ATOM 1226 CB PHE A 859 9.604 3.344 6.144 1.00 8.62 C ATOM 1227 CG PHE A 859 8.445 4.004 6.865 1.00 8.98 C ATOM 1228 CD1 PHE A 859 7.937 3.467 8.047 1.00 10.08 C ATOM 1229 CD2 PHE A 859 7.923 5.208 6.413 1.00 9.92 C ATOM 1230 CE1 PHE A 859 6.882 4.083 8.720 1.00 11.45 C ATOM 1231 CE2 PHE A 859 6.877 5.832 7.096 1.00 11.13 C ATOM 1232 CZ PHE A 859 6.367 5.265 8.248 1.00 10.05 C ATOM 1233 H PHE A 859 10.600 2.242 8.244 1.00 0.00 H ATOM 1234 N VAL A 860 11.939 1.284 5.397 1.00 10.81 N ATOM 1235 CA VAL A 860 12.889 0.728 4.432 1.00 11.81 C ATOM 1236 C VAL A 860 12.788 -0.805 4.423 1.00 16.50 C ATOM 1237 O VAL A 860 12.688 -1.395 3.347 1.00 16.24 O ATOM 1238 CB VAL A 860 14.358 1.222 4.629 1.00 15.13 C ATOM 1239 CG1 VAL A 860 15.319 0.507 3.674 1.00 15.26 C ATOM 1240 CG2 VAL A 860 14.463 2.728 4.425 1.00 14.42 C ATOM 1241 H VAL A 860 12.304 1.754 6.250 1.00 0.00 H ATOM 1242 N ARG A 861 12.804 -1.437 5.614 1.00 15.05 N ATOM 1243 CA ARG A 861 12.744 -2.897 5.772 1.00 16.15 C ATOM 1244 C ARG A 861 11.489 -3.461 5.108 1.00 19.02 C ATOM 1245 O ARG A 861 11.591 -4.401 4.330 1.00 17.29 O ATOM 1246 CB ARG A 861 12.781 -3.287 7.261 1.00 16.84 C ATOM 1247 CG ARG A 861 12.872 -4.795 7.514 1.00 29.25 C ATOM 1248 CD ARG A 861 12.757 -5.158 8.984 1.00 36.11 C ATOM 1249 NE ARG A 861 11.399 -4.939 9.488 1.00 50.26 N ATOM 1250 CZ ARG A 861 10.509 -5.900 9.720 1.00 65.55 C ATOM 1251 NH1 ARG A 861 9.301 -5.596 10.177 1.00 53.22 N ATOM 1252 NH2 ARG A 861 10.825 -7.173 9.514 1.00 51.95 N ATOM 1253 HE ARG A 861 11.109 -3.959 9.679 1.00 0.00 H ATOM 1254 HH12 ARG A 861 8.608 -6.350 10.357 1.00 0.00 H ATOM 1255 HH11 ARG A 861 9.047 -4.603 10.355 1.00 0.00 H ATOM 1256 HH22 ARG A 861 10.124 -7.919 9.698 1.00 0.00 H ATOM 1257 HH21 ARG A 861 11.773 -7.424 9.169 1.00 0.00 H ATOM 1258 H ARG A 861 12.862 -0.855 6.474 1.00 0.00 H ATOM 1259 N LEU A 862 10.324 -2.824 5.347 1.00 16.03 N ATOM 1260 CA LEU A 862 9.042 -3.259 4.806 1.00 15.57 C ATOM 1261 C LEU A 862 8.768 -2.762 3.394 1.00 17.87 C ATOM 1262 O LEU A 862 7.823 -3.235 2.773 1.00 16.61 O ATOM 1263 CB LEU A 862 7.897 -2.803 5.737 1.00 14.75 C ATOM 1264 CG LEU A 862 7.882 -3.361 7.148 1.00 19.99 C ATOM 1265 CD1 LEU A 862 6.954 -2.551 8.041 1.00 19.84 C ATOM 1266 CD2 LEU A 862 7.505 -4.822 7.156 1.00 25.33 C ATOM 1267 H LEU A 862 10.341 -1.977 5.950 1.00 0.00 H ATOM 1268 N GLN A 863 9.574 -1.807 2.886 1.00 13.67 N ATOM 1269 CA GLN A 863 9.388 -1.150 1.587 1.00 11.96 C ATOM 1270 C GLN A 863 7.976 -0.552 1.546 1.00 13.68 C ATOM 1271 O GLN A 863 7.194 -0.839 0.642 1.00 12.36 O ATOM 1272 CB GLN A 863 9.687 -2.088 0.389 1.00 13.71 C ATOM 1273 CG GLN A 863 11.181 -2.361 0.156 1.00 25.59 C ATOM 1274 CD GLN A 863 11.943 -1.114 -0.242 1.00 40.27 C ATOM 1275 OE1 GLN A 863 11.815 -0.600 -1.364 1.00 31.67 O ATOM 1276 NE2 GLN A 863 12.730 -0.582 0.685 1.00 31.13 N ATOM 1277 HE22 GLN A 863 12.817 -1.036 1.617 1.00 0.00 H ATOM 1278 HE21 GLN A 863 13.260 0.289 0.480 1.00 0.00 H ATOM 1279 H GLN A 863 10.391 -1.514 3.459 1.00 0.00 H ATOM 1280 N LEU A 864 7.636 0.234 2.580 1.00 10.67 N ATOM 1281 CA LEU A 864 6.314 0.864 2.696 1.00 10.33 C ATOM 1282 C LEU A 864 5.937 1.635 1.443 1.00 13.72 C ATOM 1283 O LEU A 864 6.763 2.367 0.904 1.00 13.73 O ATOM 1284 CB LEU A 864 6.237 1.763 3.942 1.00 9.39 C ATOM 1285 CG LEU A 864 4.811 2.153 4.400 1.00 11.90 C ATOM 1286 CD1 LEU A 864 4.055 0.948 4.902 1.00 13.32 C ATOM 1287 CD2 LEU A 864 4.873 3.248 5.447 1.00 9.16 C ATOM 1288 H LEU A 864 8.337 0.404 3.329 1.00 0.00 H ATOM 1289 N THR A 865 4.707 1.426 0.952 1.00 10.29 N ATOM 1290 CA THR A 865 4.209 2.106 -0.248 1.00 9.83 C ATOM 1291 C THR A 865 3.420 3.350 0.136 1.00 12.77 C ATOM 1292 O THR A 865 2.926 3.453 1.263 1.00 11.24 O ATOM 1293 CB THR A 865 3.363 1.181 -1.173 1.00 14.47 C ATOM 1294 OG1 THR A 865 2.037 1.037 -0.654 1.00 12.17 O ATOM 1295 CG2 THR A 865 4.012 -0.155 -1.455 1.00 14.82 C ATOM 1296 HG1 THR A 865 1.512 0.447 -1.252 1.00 0.00 H ATOM 1297 H THR A 865 4.081 0.755 1.442 1.00 0.00 H ATOM 1298 N PHE A 866 3.292 4.295 -0.800 1.00 10.56 N ATOM 1299 CA PHE A 866 2.571 5.538 -0.541 1.00 10.02 C ATOM 1300 C PHE A 866 1.100 5.270 -0.237 1.00 13.16 C ATOM 1301 O PHE A 866 0.555 5.880 0.680 1.00 10.71 O ATOM 1302 CB PHE A 866 2.744 6.524 -1.708 1.00 13.03 C ATOM 1303 CG PHE A 866 2.108 7.875 -1.484 1.00 14.53 C ATOM 1304 CD1 PHE A 866 2.545 8.709 -0.461 1.00 18.49 C ATOM 1305 CD2 PHE A 866 1.097 8.332 -2.321 1.00 18.19 C ATOM 1306 CE1 PHE A 866 1.965 9.972 -0.265 1.00 19.34 C ATOM 1307 CE2 PHE A 866 0.518 9.590 -2.126 1.00 20.60 C ATOM 1308 CZ PHE A 866 0.951 10.398 -1.097 1.00 18.02 C ATOM 1309 H PHE A 866 3.717 4.141 -1.737 1.00 0.00 H ATOM 1310 N GLU A 867 0.485 4.304 -0.942 1.00 11.58 N ATOM 1311 CA GLU A 867 -0.917 3.910 -0.714 1.00 12.51 C ATOM 1312 C GLU A 867 -1.082 3.357 0.714 1.00 14.07 C ATOM 1313 O GLU A 867 -1.974 3.796 1.442 1.00 13.12 O ATOM 1314 CB GLU A 867 -1.399 2.876 -1.755 1.00 15.50 C ATOM 1315 CG GLU A 867 -1.048 3.178 -3.204 1.00 30.12 C ATOM 1316 CD GLU A 867 0.243 2.535 -3.680 1.00 60.46 C ATOM 1317 OE1 GLU A 867 1.312 3.184 -3.584 1.00 41.81 O ATOM 1318 OE2 GLU A 867 0.186 1.365 -4.126 1.00 63.14 O ATOM 1319 H GLU A 867 1.024 3.812 -1.683 1.00 0.00 H ATOM 1320 N GLU A 868 -0.168 2.464 1.138 1.00 9.10 N ATOM 1321 CA GLU A 868 -0.153 1.905 2.498 1.00 8.07 C ATOM 1322 C GLU A 868 -0.007 3.030 3.516 1.00 8.71 C ATOM 1323 O GLU A 868 -0.822 3.142 4.434 1.00 7.99 O ATOM 1324 CB GLU A 868 0.988 0.877 2.659 1.00 8.95 C ATOM 1325 CG GLU A 868 0.656 -0.470 2.037 1.00 12.35 C ATOM 1326 CD GLU A 868 1.824 -1.426 1.837 1.00 27.79 C ATOM 1327 OE1 GLU A 868 1.569 -2.582 1.423 1.00 21.23 O ATOM 1328 OE2 GLU A 868 2.989 -1.020 2.066 1.00 13.54 O ATOM 1329 H GLU A 868 0.565 2.153 0.469 1.00 0.00 H ATOM 1330 N TYR A 869 0.981 3.915 3.292 1.00 6.14 N ATOM 1331 CA TYR A 869 1.229 5.084 4.129 1.00 5.85 C ATOM 1332 C TYR A 869 -0.064 5.957 4.314 1.00 6.10 C ATOM 1333 O TYR A 869 -0.435 6.255 5.443 1.00 4.79 O ATOM 1334 CB TYR A 869 2.367 5.913 3.527 1.00 6.79 C ATOM 1335 CG TYR A 869 2.499 7.279 4.151 1.00 8.13 C ATOM 1336 CD1 TYR A 869 2.948 7.428 5.460 1.00 8.83 C ATOM 1337 CD2 TYR A 869 2.151 8.424 3.444 1.00 8.81 C ATOM 1338 CE1 TYR A 869 2.998 8.681 6.066 1.00 8.81 C ATOM 1339 CE2 TYR A 869 2.278 9.686 4.013 1.00 11.05 C ATOM 1340 CZ TYR A 869 2.688 9.810 5.329 1.00 14.48 C ATOM 1341 OH TYR A 869 2.769 11.052 5.905 1.00 17.59 O ATOM 1342 HH TYR A 869 3.413 11.608 5.398 1.00 0.00 H ATOM 1343 H TYR A 869 1.604 3.757 2.475 1.00 0.00 H ATOM 1344 N THR A 870 -0.733 6.346 3.218 1.00 5.71 N ATOM 1345 CA THR A 870 -1.924 7.205 3.336 1.00 5.77 C ATOM 1346 C THR A 870 -3.045 6.548 4.176 1.00 8.90 C ATOM 1347 O THR A 870 -3.688 7.249 4.951 1.00 8.95 O ATOM 1348 CB THR A 870 -2.423 7.705 1.977 1.00 12.06 C ATOM 1349 OG1 THR A 870 -2.875 6.588 1.185 1.00 10.66 O ATOM 1350 CG2 THR A 870 -1.393 8.592 1.240 1.00 13.35 C ATOM 1351 HG1 THR A 870 -2.125 5.957 1.048 1.00 0.00 H ATOM 1352 H THR A 870 -0.409 6.039 2.279 1.00 0.00 H ATOM 1353 N ILE A 871 -3.246 5.217 4.061 1.00 7.34 N ATOM 1354 CA ILE A 871 -4.308 4.538 4.843 1.00 7.68 C ATOM 1355 C ILE A 871 -3.904 4.509 6.314 1.00 8.91 C ATOM 1356 O ILE A 871 -4.723 4.775 7.205 1.00 8.19 O ATOM 1357 CB ILE A 871 -4.672 3.127 4.294 1.00 11.91 C ATOM 1358 CG1 ILE A 871 -5.191 3.213 2.845 1.00 13.45 C ATOM 1359 CG2 ILE A 871 -5.722 2.420 5.201 1.00 11.80 C ATOM 1360 CD1 ILE A 871 -5.054 1.847 2.044 1.00 18.32 C ATOM 1361 H ILE A 871 -2.649 4.661 3.416 1.00 0.00 H ATOM 1362 N MET A 872 -2.623 4.222 6.564 1.00 5.79 N ATOM 1363 CA MET A 872 -2.120 4.138 7.940 1.00 5.39 C ATOM 1364 C MET A 872 -2.198 5.481 8.679 1.00 6.38 C ATOM 1365 O MET A 872 -2.443 5.496 9.885 1.00 6.23 O ATOM 1366 CB MET A 872 -0.697 3.560 7.950 1.00 6.47 C ATOM 1367 CG MET A 872 -0.674 2.076 7.560 1.00 9.05 C ATOM 1368 SD MET A 872 0.980 1.509 7.134 1.00 13.61 S ATOM 1369 CE MET A 872 1.579 1.078 8.751 1.00 10.89 C ATOM 1370 H MET A 872 -1.972 4.055 5.770 1.00 0.00 H ATOM 1371 N LYS A 873 -2.009 6.605 7.962 1.00 6.36 N ATOM 1372 CA LYS A 873 -2.099 7.952 8.543 1.00 6.57 C ATOM 1373 C LYS A 873 -3.541 8.183 9.022 1.00 7.58 C ATOM 1374 O LYS A 873 -3.737 8.711 10.110 1.00 6.47 O ATOM 1375 CB LYS A 873 -1.681 9.014 7.512 1.00 8.70 C ATOM 1376 CG LYS A 873 -1.164 10.311 8.124 1.00 24.01 C ATOM 1377 CD LYS A 873 -0.397 11.207 7.119 1.00 28.85 C ATOM 1378 CE LYS A 873 -1.283 11.885 6.095 1.00 32.93 C ATOM 1379 NZ LYS A 873 -1.507 13.328 6.409 1.00 44.68 N ATOM 1380 HZ1 LYS A 873 -1.965 13.412 7.339 1.00 0.00 H ATOM 1381 HZ2 LYS A 873 -0.593 13.824 6.425 1.00 0.00 H ATOM 1382 HZ3 LYS A 873 -2.119 13.749 5.681 1.00 0.00 H ATOM 1383 H LYS A 873 -1.789 6.516 6.949 1.00 0.00 H ATOM 1384 N VAL A 874 -4.547 7.714 8.247 1.00 5.16 N ATOM 1385 CA VAL A 874 -5.957 7.816 8.652 1.00 5.09 C ATOM 1386 C VAL A 874 -6.183 6.982 9.923 1.00 7.61 C ATOM 1387 O VAL A 874 -6.826 7.452 10.862 1.00 7.46 O ATOM 1388 CB VAL A 874 -6.933 7.415 7.514 1.00 7.24 C ATOM 1389 CG1 VAL A 874 -8.402 7.546 7.974 1.00 7.36 C ATOM 1390 CG2 VAL A 874 -6.683 8.265 6.269 1.00 7.59 C ATOM 1391 H VAL A 874 -4.315 7.268 7.337 1.00 0.00 H ATOM 1392 N LEU A 875 -5.598 5.771 9.974 1.00 6.26 N ATOM 1393 CA LEU A 875 -5.727 4.912 11.158 1.00 6.58 C ATOM 1394 C LEU A 875 -5.104 5.564 12.383 1.00 6.42 C ATOM 1395 O LEU A 875 -5.682 5.476 13.466 1.00 5.15 O ATOM 1396 CB LEU A 875 -5.212 3.489 10.893 1.00 7.22 C ATOM 1397 CG LEU A 875 -6.021 2.730 9.816 1.00 10.46 C ATOM 1398 CD1 LEU A 875 -5.349 1.403 9.424 1.00 11.33 C ATOM 1399 CD2 LEU A 875 -7.471 2.506 10.256 1.00 13.00 C ATOM 1400 H LEU A 875 -5.044 5.437 9.159 1.00 0.00 H ATOM 1401 N LEU A 876 -4.003 6.319 12.208 1.00 5.06 N ATOM 1402 CA LEU A 876 -3.410 7.056 13.328 1.00 5.92 C ATOM 1403 C LEU A 876 -4.302 8.198 13.820 1.00 6.80 C ATOM 1404 O LEU A 876 -4.438 8.381 15.036 1.00 7.40 O ATOM 1405 CB LEU A 876 -2.011 7.589 12.968 1.00 6.33 C ATOM 1406 CG LEU A 876 -0.953 6.507 12.808 1.00 8.78 C ATOM 1407 CD1 LEU A 876 0.393 7.132 12.441 1.00 9.10 C ATOM 1408 CD2 LEU A 876 -0.746 5.720 14.096 1.00 10.11 C ATOM 1409 H LEU A 876 -3.567 6.380 11.266 1.00 0.00 H ATOM 1410 N LEU A 877 -4.973 8.919 12.887 1.00 4.65 N ATOM 1411 CA LEU A 877 -5.928 9.959 13.270 1.00 4.71 C ATOM 1412 C LEU A 877 -7.035 9.311 14.147 1.00 7.53 C ATOM 1413 O LEU A 877 -7.553 9.945 15.060 1.00 8.30 O ATOM 1414 CB LEU A 877 -6.531 10.629 12.011 1.00 4.76 C ATOM 1415 CG LEU A 877 -7.715 11.619 12.227 1.00 7.00 C ATOM 1416 CD1 LEU A 877 -7.281 12.883 13.012 1.00 7.05 C ATOM 1417 CD2 LEU A 877 -8.353 11.974 10.893 1.00 6.32 C ATOM 1418 H LEU A 877 -4.805 8.728 11.879 1.00 0.00 H ATOM 1419 N LEU A 878 -7.362 8.036 13.882 1.00 5.14 N ATOM 1420 CA LEU A 878 -8.434 7.326 14.604 1.00 5.22 C ATOM 1421 C LEU A 878 -7.887 6.323 15.643 1.00 10.50 C ATOM 1422 O LEU A 878 -8.582 5.345 15.959 1.00 12.05 O ATOM 1423 CB LEU A 878 -9.288 6.566 13.563 1.00 5.31 C ATOM 1424 CG LEU A 878 -9.710 7.336 12.301 1.00 7.25 C ATOM 1425 CD1 LEU A 878 -10.375 6.402 11.297 1.00 8.25 C ATOM 1426 CD2 LEU A 878 -10.703 8.459 12.642 1.00 7.67 C ATOM 1427 H LEU A 878 -6.839 7.530 13.139 1.00 0.00 H ATOM 1428 N SER A 879 -6.688 6.567 16.199 1.00 8.80 N ATOM 1429 CA SER A 879 -6.088 5.597 17.120 1.00 9.24 C ATOM 1430 C SER A 879 -6.046 5.974 18.614 1.00 12.44 C ATOM 1431 O SER A 879 -5.569 5.164 19.419 1.00 12.78 O ATOM 1432 CB SER A 879 -4.686 5.223 16.653 1.00 12.46 C ATOM 1433 OG SER A 879 -4.756 4.242 15.633 1.00 20.73 O ATOM 1434 HG SER A 879 -5.269 4.601 14.866 1.00 0.00 H ATOM 1435 H SER A 879 -6.183 7.448 15.975 1.00 0.00 H ATOM 1436 N THR A 880 -6.500 7.170 18.991 1.00 8.81 N ATOM 1437 CA THR A 880 -6.525 7.589 20.404 1.00 8.96 C ATOM 1438 C THR A 880 -7.847 8.280 20.671 1.00 13.58 C ATOM 1439 O THR A 880 -8.140 9.297 20.045 1.00 12.10 O ATOM 1440 CB THR A 880 -5.348 8.498 20.778 1.00 16.60 C ATOM 1441 OG1 THR A 880 -4.117 7.961 20.290 1.00 18.98 O ATOM 1442 CG2 THR A 880 -5.262 8.731 22.289 1.00 18.77 C ATOM 1443 HG1 THR A 880 -4.160 7.883 19.304 1.00 0.00 H ATOM 1444 H THR A 880 -6.848 7.828 18.265 1.00 0.00 H ATOM 1445 N ILE A 881 -8.619 7.758 21.614 1.00 13.04 N ATOM 1446 CA ILE A 881 -9.944 8.308 21.956 1.00 13.21 C ATOM 1447 C ILE A 881 -10.069 8.569 23.476 1.00 18.81 C ATOM 1448 O ILE A 881 -9.226 8.078 24.218 1.00 18.10 O ATOM 1449 CB ILE A 881 -11.062 7.341 21.454 1.00 17.27 C ATOM 1450 CG1 ILE A 881 -11.073 5.989 22.226 1.00 18.17 C ATOM 1451 CG2 ILE A 881 -10.974 7.138 19.934 1.00 18.35 C ATOM 1452 CD1 ILE A 881 -12.384 5.139 22.112 1.00 20.28 C ATOM 1453 H ILE A 881 -8.276 6.926 22.134 1.00 0.00 H ATOM 1454 N PRO A 882 -11.099 9.288 23.989 1.00 17.12 N ATOM 1455 CA PRO A 882 -11.230 9.413 25.454 1.00 18.14 C ATOM 1456 C PRO A 882 -11.536 8.043 26.070 1.00 23.07 C ATOM 1457 O PRO A 882 -12.143 7.191 25.421 1.00 21.99 O ATOM 1458 CB PRO A 882 -12.435 10.354 25.631 1.00 20.18 C ATOM 1459 CG PRO A 882 -12.622 11.007 24.311 1.00 23.91 C ATOM 1460 CD PRO A 882 -12.208 9.979 23.306 1.00 19.05 C ATOM 1461 N LYS A 883 -11.119 7.839 27.318 1.00 21.39 N ATOM 1462 CA LYS A 883 -11.339 6.612 28.092 1.00 22.12 C ATOM 1463 C LYS A 883 -12.832 6.257 28.113 1.00 28.60 C ATOM 1464 O LYS A 883 -13.179 5.091 27.942 1.00 29.56 O ATOM 1465 CB LYS A 883 -10.800 6.814 29.514 1.00 25.01 C ATOM 1466 CG LYS A 883 -10.773 5.561 30.384 1.00 44.31 C ATOM 1467 CD LYS A 883 -10.016 5.790 31.699 1.00 57.79 C ATOM 1468 CE LYS A 883 -10.736 6.672 32.703 1.00 71.13 C ATOM 1469 NZ LYS A 883 -11.895 5.983 33.330 1.00 81.92 N ATOM 1470 HZ1 LYS A 883 -12.576 5.711 32.592 1.00 0.00 H ATOM 1471 HZ2 LYS A 883 -11.563 5.132 33.827 1.00 0.00 H ATOM 1472 HZ3 LYS A 883 -12.354 6.625 34.007 1.00 0.00 H ATOM 1473 H LYS A 883 -10.596 8.610 27.781 1.00 0.00 H ATOM 1474 N ASP A 884 -13.706 7.274 28.254 1.00 27.21 N ATOM 1475 CA ASP A 884 -15.163 7.105 28.282 1.00 29.00 C ATOM 1476 C ASP A 884 -15.808 7.156 26.876 1.00 31.51 C ATOM 1477 O ASP A 884 -17.033 7.250 26.758 1.00 31.30 O ATOM 1478 CB ASP A 884 -15.807 8.124 29.238 1.00 32.48 C ATOM 1479 CG ASP A 884 -15.302 8.027 30.667 1.00 49.46 C ATOM 1480 OD1 ASP A 884 -15.462 6.946 31.285 1.00 50.83 O ATOM 1481 OD2 ASP A 884 -14.757 9.035 31.174 1.00 57.57 O ATOM 1482 H ASP A 884 -13.324 8.237 28.349 1.00 0.00 H ATOM 1483 N GLY A 885 -14.973 7.054 25.838 1.00 26.86 N ATOM 1484 CA GLY A 885 -15.390 7.083 24.439 1.00 24.75 C ATOM 1485 C GLY A 885 -15.741 8.469 23.933 1.00 24.69 C ATOM 1486 O GLY A 885 -15.680 9.448 24.674 1.00 24.12 O ATOM 1487 H GLY A 885 -13.958 6.947 26.040 1.00 0.00 H ATOM 1488 N LEU A 886 -16.095 8.552 22.651 1.00 18.95 N ATOM 1489 CA LEU A 886 -16.493 9.782 21.964 1.00 17.53 C ATOM 1490 C LEU A 886 -17.997 10.004 22.084 1.00 18.75 C ATOM 1491 O LEU A 886 -18.706 9.083 22.497 1.00 19.17 O ATOM 1492 CB LEU A 886 -16.110 9.676 20.486 1.00 16.52 C ATOM 1493 CG LEU A 886 -14.603 9.604 20.192 1.00 19.52 C ATOM 1494 CD1 LEU A 886 -14.365 8.939 18.908 1.00 19.81 C ATOM 1495 CD2 LEU A 886 -13.928 11.001 20.227 1.00 17.92 C ATOM 1496 H LEU A 886 -16.088 7.673 22.094 1.00 0.00 H ATOM 1497 N LYS A 887 -18.490 11.203 21.689 1.00 15.78 N ATOM 1498 CA LYS A 887 -19.923 11.544 21.723 1.00 17.15 C ATOM 1499 C LYS A 887 -20.729 10.653 20.754 1.00 18.95 C ATOM 1500 O LYS A 887 -21.833 10.220 21.084 1.00 18.77 O ATOM 1501 CB LYS A 887 -20.142 13.045 21.437 1.00 19.91 C ATOM 1502 CG LYS A 887 -19.531 14.001 22.481 1.00 28.91 C ATOM 1503 CD LYS A 887 -20.344 14.108 23.779 1.00 45.38 C ATOM 1504 CE LYS A 887 -21.405 15.188 23.743 1.00 58.93 C ATOM 1505 NZ LYS A 887 -22.110 15.313 25.046 1.00 68.17 N ATOM 1506 HZ1 LYS A 887 -22.570 14.410 25.278 1.00 0.00 H ATOM 1507 HZ2 LYS A 887 -21.423 15.554 25.789 1.00 0.00 H ATOM 1508 HZ3 LYS A 887 -22.828 16.062 24.980 1.00 0.00 H ATOM 1509 H LYS A 887 -17.821 11.921 21.343 1.00 0.00 H ATOM 1510 N SER A 888 -20.160 10.364 19.564 1.00 15.39 N ATOM 1511 CA SER A 888 -20.780 9.471 18.579 1.00 15.39 C ATOM 1512 C SER A 888 -19.808 8.291 18.362 1.00 17.24 C ATOM 1513 O SER A 888 -19.101 8.228 17.353 1.00 14.04 O ATOM 1514 CB SER A 888 -21.063 10.218 17.276 1.00 17.00 C ATOM 1515 OG SER A 888 -22.065 11.207 17.458 1.00 17.75 O ATOM 1516 HG SER A 888 -22.227 11.673 16.600 1.00 0.00 H ATOM 1517 H SER A 888 -19.241 10.794 19.336 1.00 0.00 H ATOM 1518 N GLN A 889 -19.749 7.385 19.347 1.00 15.97 N ATOM 1519 CA GLN A 889 -18.829 6.236 19.313 1.00 15.96 C ATOM 1520 C GLN A 889 -19.097 5.308 18.120 1.00 18.18 C ATOM 1521 O GLN A 889 -18.146 4.873 17.473 1.00 16.97 O ATOM 1522 CB GLN A 889 -18.866 5.467 20.651 1.00 17.68 C ATOM 1523 CG GLN A 889 -17.761 4.398 20.819 1.00 22.74 C ATOM 1524 CD GLN A 889 -16.344 4.933 20.816 1.00 30.75 C ATOM 1525 OE1 GLN A 889 -16.075 6.075 21.210 1.00 19.94 O ATOM 1526 NE2 GLN A 889 -15.402 4.108 20.382 1.00 26.74 N ATOM 1527 HE22 GLN A 889 -15.656 3.154 20.057 1.00 0.00 H ATOM 1528 HE21 GLN A 889 -14.408 4.415 20.367 1.00 0.00 H ATOM 1529 H GLN A 889 -20.378 7.498 20.168 1.00 0.00 H ATOM 1530 N ALA A 890 -20.385 5.040 17.815 1.00 15.64 N ATOM 1531 CA ALA A 890 -20.770 4.169 16.702 1.00 16.35 C ATOM 1532 C ALA A 890 -20.277 4.721 15.356 1.00 18.36 C ATOM 1533 O ALA A 890 -19.686 3.968 14.573 1.00 17.25 O ATOM 1534 CB ALA A 890 -22.276 3.949 16.687 1.00 18.19 C ATOM 1535 H ALA A 890 -21.134 5.470 18.394 1.00 0.00 H ATOM 1536 N ALA A 891 -20.474 6.041 15.116 1.00 15.34 N ATOM 1537 CA ALA A 891 -20.027 6.740 13.904 1.00 14.74 C ATOM 1538 C ALA A 891 -18.512 6.576 13.738 1.00 16.77 C ATOM 1539 O ALA A 891 -18.043 6.244 12.650 1.00 16.63 O ATOM 1540 CB ALA A 891 -20.378 8.219 13.992 1.00 15.21 C ATOM 1541 H ALA A 891 -20.975 6.596 15.839 1.00 0.00 H ATOM 1542 N PHE A 892 -17.752 6.763 14.835 1.00 13.11 N ATOM 1543 CA PHE A 892 -16.293 6.622 14.827 1.00 11.19 C ATOM 1544 C PHE A 892 -15.859 5.198 14.472 1.00 14.26 C ATOM 1545 O PHE A 892 -14.951 5.013 13.662 1.00 12.20 O ATOM 1546 CB PHE A 892 -15.719 7.005 16.193 1.00 11.82 C ATOM 1547 CG PHE A 892 -14.292 6.550 16.429 1.00 11.33 C ATOM 1548 CD1 PHE A 892 -13.218 7.250 15.876 1.00 11.91 C ATOM 1549 CD2 PHE A 892 -14.022 5.414 17.188 1.00 12.58 C ATOM 1550 CE1 PHE A 892 -11.902 6.840 16.107 1.00 10.95 C ATOM 1551 CE2 PHE A 892 -12.707 4.980 17.388 1.00 14.14 C ATOM 1552 CZ PHE A 892 -11.655 5.693 16.843 1.00 11.66 C ATOM 1553 H PHE A 892 -18.222 7.019 15.727 1.00 0.00 H ATOM 1554 N GLU A 893 -16.481 4.202 15.113 1.00 14.32 N ATOM 1555 CA GLU A 893 -16.133 2.796 14.910 1.00 15.11 C ATOM 1556 C GLU A 893 -16.366 2.351 13.488 1.00 17.14 C ATOM 1557 O GLU A 893 -15.503 1.668 12.949 1.00 16.93 O ATOM 1558 CB GLU A 893 -16.826 1.891 15.935 1.00 17.27 C ATOM 1559 CG GLU A 893 -16.271 2.116 17.335 1.00 27.04 C ATOM 1560 CD GLU A 893 -16.644 1.133 18.428 1.00 51.25 C ATOM 1561 OE1 GLU A 893 -16.156 1.323 19.567 1.00 38.56 O ATOM 1562 OE2 GLU A 893 -17.402 0.172 18.156 1.00 44.89 O ATOM 1563 H GLU A 893 -17.242 4.437 15.782 1.00 0.00 H ATOM 1564 N GLU A 894 -17.456 2.816 12.854 1.00 14.75 N ATOM 1565 CA GLU A 894 -17.778 2.550 11.447 1.00 14.87 C ATOM 1566 C GLU A 894 -16.660 3.109 10.529 1.00 16.14 C ATOM 1567 O GLU A 894 -16.154 2.381 9.665 1.00 14.18 O ATOM 1568 CB GLU A 894 -19.143 3.162 11.075 1.00 17.51 C ATOM 1569 CG GLU A 894 -19.636 2.769 9.684 1.00 33.27 C ATOM 1570 CD GLU A 894 -21.006 3.280 9.272 1.00 67.59 C ATOM 1571 OE1 GLU A 894 -21.306 4.471 9.518 1.00 69.09 O ATOM 1572 OE2 GLU A 894 -21.761 2.498 8.651 1.00 67.53 O ATOM 1573 H GLU A 894 -18.118 3.406 13.398 1.00 0.00 H ATOM 1574 N MET A 895 -16.262 4.381 10.734 1.00 13.67 N ATOM 1575 CA MET A 895 -15.186 4.979 9.943 1.00 12.14 C ATOM 1576 C MET A 895 -13.891 4.178 10.105 1.00 12.54 C ATOM 1577 O MET A 895 -13.284 3.828 9.092 1.00 11.41 O ATOM 1578 CB MET A 895 -14.956 6.461 10.302 1.00 13.25 C ATOM 1579 CG MET A 895 -13.969 7.160 9.366 1.00 15.12 C ATOM 1580 SD MET A 895 -13.669 8.872 9.865 1.00 17.79 S ATOM 1581 CE MET A 895 -12.217 9.291 8.858 1.00 14.01 C ATOM 1582 H MET A 895 -16.729 4.949 11.469 1.00 0.00 H ATOM 1583 N ARG A 896 -13.463 3.912 11.360 1.00 10.22 N ATOM 1584 CA ARG A 896 -12.236 3.157 11.649 1.00 9.75 C ATOM 1585 C ARG A 896 -12.244 1.768 10.998 1.00 13.32 C ATOM 1586 O ARG A 896 -11.276 1.414 10.319 1.00 13.13 O ATOM 1587 CB ARG A 896 -11.972 3.064 13.163 1.00 8.91 C ATOM 1588 CG ARG A 896 -10.742 2.224 13.521 1.00 9.41 C ATOM 1589 CD ARG A 896 -10.300 2.402 14.961 1.00 12.36 C ATOM 1590 NE ARG A 896 -9.219 1.472 15.293 1.00 10.58 N ATOM 1591 CZ ARG A 896 -7.922 1.763 15.235 1.00 25.70 C ATOM 1592 NH1 ARG A 896 -7.519 2.975 14.867 1.00 20.89 N ATOM 1593 NH2 ARG A 896 -7.018 0.848 15.549 1.00 14.52 N ATOM 1594 HE ARG A 896 -9.485 0.513 15.597 1.00 0.00 H ATOM 1595 HH12 ARG A 896 -6.503 3.195 14.824 1.00 0.00 H ATOM 1596 HH11 ARG A 896 -8.219 3.704 14.622 1.00 0.00 H ATOM 1597 HH22 ARG A 896 -6.005 1.080 15.502 1.00 0.00 H ATOM 1598 HH21 ARG A 896 -7.321 -0.103 15.842 1.00 0.00 H ATOM 1599 H ARG A 896 -14.030 4.259 12.160 1.00 0.00 H ATOM 1600 N THR A 897 -13.337 1.005 11.187 1.00 11.59 N ATOM 1601 CA THR A 897 -13.496 -0.348 10.630 1.00 12.05 C ATOM 1602 C THR A 897 -13.343 -0.324 9.105 1.00 15.10 C ATOM 1603 O THR A 897 -12.657 -1.175 8.549 1.00 14.88 O ATOM 1604 CB THR A 897 -14.854 -0.944 11.080 1.00 22.38 C ATOM 1605 OG1 THR A 897 -14.819 -1.090 12.497 1.00 20.14 O ATOM 1606 CG2 THR A 897 -15.155 -2.307 10.454 1.00 24.45 C ATOM 1607 HG1 THR A 897 -14.677 -0.204 12.915 1.00 0.00 H ATOM 1608 H THR A 897 -14.113 1.394 11.759 1.00 0.00 H ATOM 1609 N ASN A 898 -13.929 0.697 8.448 1.00 12.24 N ATOM 1610 CA ASN A 898 -13.869 0.806 7.006 1.00 12.94 C ATOM 1611 C ASN A 898 -12.477 1.117 6.508 1.00 16.53 C ATOM 1612 O ASN A 898 -12.083 0.604 5.455 1.00 16.76 O ATOM 1613 CB ASN A 898 -14.911 1.784 6.510 1.00 17.19 C ATOM 1614 CG ASN A 898 -16.249 1.093 6.358 1.00 38.04 C ATOM 1615 OD1 ASN A 898 -16.543 0.492 5.323 1.00 39.76 O ATOM 1616 ND2 ASN A 898 -17.039 1.055 7.419 1.00 27.99 N ATOM 1617 HD22 ASN A 898 -16.774 1.569 8.283 1.00 0.00 H ATOM 1618 HD21 ASN A 898 -17.925 0.511 7.388 1.00 0.00 H ATOM 1619 H ASN A 898 -14.437 1.424 8.991 1.00 0.00 H ATOM 1620 N TYR A 899 -11.700 1.901 7.276 1.00 10.92 N ATOM 1621 CA TYR A 899 -10.328 2.166 6.851 1.00 10.17 C ATOM 1622 C TYR A 899 -9.437 0.939 7.072 1.00 11.61 C ATOM 1623 O TYR A 899 -8.528 0.725 6.283 1.00 12.64 O ATOM 1624 CB TYR A 899 -9.765 3.452 7.466 1.00 10.55 C ATOM 1625 CG TYR A 899 -10.179 4.678 6.672 1.00 11.63 C ATOM 1626 CD1 TYR A 899 -9.518 5.028 5.495 1.00 12.94 C ATOM 1627 CD2 TYR A 899 -11.273 5.446 7.057 1.00 12.04 C ATOM 1628 CE1 TYR A 899 -9.921 6.133 4.736 1.00 12.97 C ATOM 1629 CE2 TYR A 899 -11.677 6.560 6.315 1.00 12.43 C ATOM 1630 CZ TYR A 899 -10.987 6.908 5.164 1.00 18.82 C ATOM 1631 OH TYR A 899 -11.385 7.993 4.424 1.00 15.97 O ATOM 1632 HH TYR A 899 -12.315 7.856 4.113 1.00 0.00 H ATOM 1633 H TYR A 899 -12.070 2.311 8.157 1.00 0.00 H ATOM 1634 N ILE A 900 -9.736 0.107 8.099 1.00 9.61 N ATOM 1635 CA ILE A 900 -9.024 -1.161 8.359 1.00 10.91 C ATOM 1636 C ILE A 900 -9.276 -2.112 7.165 1.00 16.04 C ATOM 1637 O ILE A 900 -8.317 -2.672 6.629 1.00 15.05 O ATOM 1638 CB ILE A 900 -9.354 -1.796 9.742 1.00 14.92 C ATOM 1639 CG1 ILE A 900 -8.871 -0.853 10.890 1.00 14.19 C ATOM 1640 CG2 ILE A 900 -8.697 -3.197 9.883 1.00 17.78 C ATOM 1641 CD1 ILE A 900 -9.436 -1.181 12.304 1.00 19.17 C ATOM 1642 H ILE A 900 -10.510 0.376 8.740 1.00 0.00 H ATOM 1643 N LYS A 901 -10.542 -2.184 6.689 1.00 13.47 N ATOM 1644 CA LYS A 901 -10.924 -2.959 5.495 1.00 14.87 C ATOM 1645 C LYS A 901 -10.125 -2.467 4.290 1.00 20.69 C ATOM 1646 O LYS A 901 -9.647 -3.292 3.511 1.00 21.26 O ATOM 1647 CB LYS A 901 -12.423 -2.857 5.196 1.00 16.87 C ATOM 1648 CG LYS A 901 -13.293 -3.676 6.131 1.00 33.47 C ATOM 1649 CD LYS A 901 -14.779 -3.400 5.909 1.00 42.77 C ATOM 1650 CE LYS A 901 -15.646 -4.135 6.904 1.00 51.89 C ATOM 1651 NZ LYS A 901 -17.055 -3.665 6.857 1.00 62.17 N ATOM 1652 HZ1 LYS A 901 -17.088 -2.650 7.080 1.00 0.00 H ATOM 1653 HZ2 LYS A 901 -17.441 -3.825 5.905 1.00 0.00 H ATOM 1654 HZ3 LYS A 901 -17.619 -4.193 7.554 1.00 0.00 H ATOM 1655 H LYS A 901 -11.287 -1.663 7.195 1.00 0.00 H ATOM 1656 N GLU A 902 -9.939 -1.127 4.166 1.00 16.58 N ATOM 1657 CA GLU A 902 -9.145 -0.538 3.080 1.00 16.36 C ATOM 1658 C GLU A 902 -7.685 -0.971 3.136 1.00 19.16 C ATOM 1659 O GLU A 902 -7.101 -1.252 2.094 1.00 18.78 O ATOM 1660 CB GLU A 902 -9.290 0.991 2.998 1.00 16.95 C ATOM 1661 CG GLU A 902 -10.633 1.473 2.463 1.00 28.52 C ATOM 1662 CD GLU A 902 -11.127 0.885 1.149 1.00 49.91 C ATOM 1663 OE1 GLU A 902 -12.313 0.489 1.091 1.00 51.52 O ATOM 1664 OE2 GLU A 902 -10.337 0.826 0.179 1.00 39.51 O ATOM 1665 H GLU A 902 -10.375 -0.494 4.867 1.00 0.00 H ATOM 1666 N LEU A 903 -7.105 -1.070 4.345 1.00 15.13 N ATOM 1667 CA LEU A 903 -5.718 -1.503 4.497 1.00 15.17 C ATOM 1668 C LEU A 903 -5.581 -2.974 4.109 1.00 19.93 C ATOM 1669 O LEU A 903 -4.635 -3.325 3.399 1.00 20.16 O ATOM 1670 CB LEU A 903 -5.223 -1.273 5.922 1.00 14.66 C ATOM 1671 CG LEU A 903 -3.717 -1.497 6.143 1.00 18.92 C ATOM 1672 CD1 LEU A 903 -2.889 -0.459 5.402 1.00 17.90 C ATOM 1673 CD2 LEU A 903 -3.382 -1.493 7.614 1.00 22.51 C ATOM 1674 H LEU A 903 -7.658 -0.832 5.193 1.00 0.00 H ATOM 1675 N ARG A 904 -6.534 -3.818 4.562 1.00 16.59 N ATOM 1676 CA ARG A 904 -6.562 -5.245 4.230 1.00 17.63 C ATOM 1677 C ARG A 904 -6.679 -5.474 2.710 1.00 23.80 C ATOM 1678 O ARG A 904 -5.963 -6.314 2.175 1.00 22.72 O ATOM 1679 CB ARG A 904 -7.671 -5.982 5.015 1.00 19.08 C ATOM 1680 CG ARG A 904 -7.564 -7.506 4.947 1.00 33.45 C ATOM 1681 CD ARG A 904 -6.349 -8.050 5.682 1.00 44.59 C ATOM 1682 NE ARG A 904 -5.978 -9.386 5.214 1.00 52.80 N ATOM 1683 CZ ARG A 904 -6.080 -10.494 5.947 1.00 68.24 C ATOM 1684 NH1 ARG A 904 -5.723 -11.665 5.440 1.00 57.23 N ATOM 1685 NH2 ARG A 904 -6.537 -10.437 7.196 1.00 50.78 N ATOM 1686 HE ARG A 904 -5.610 -9.477 4.245 1.00 0.00 H ATOM 1687 HH12 ARG A 904 -5.804 -12.527 6.016 1.00 0.00 H ATOM 1688 HH11 ARG A 904 -5.362 -11.722 4.466 1.00 0.00 H ATOM 1689 HH22 ARG A 904 -6.614 -11.306 7.762 1.00 0.00 H ATOM 1690 HH21 ARG A 904 -6.817 -9.523 7.606 1.00 0.00 H ATOM 1691 H ARG A 904 -7.283 -3.437 5.175 1.00 0.00 H ATOM 1692 N LYS A 905 -7.536 -4.696 2.017 1.00 23.35 N ATOM 1693 CA LYS A 905 -7.704 -4.765 0.556 1.00 24.67 C ATOM 1694 C LYS A 905 -6.397 -4.381 -0.163 1.00 30.08 C ATOM 1695 O LYS A 905 -6.035 -5.017 -1.152 1.00 31.44 O ATOM 1696 CB LYS A 905 -8.793 -3.791 0.092 1.00 27.25 C ATOM 1697 CG LYS A 905 -10.210 -4.247 0.312 1.00 39.72 C ATOM 1698 CD LYS A 905 -11.141 -3.438 -0.571 1.00 46.49 C ATOM 1699 CE LYS A 905 -12.422 -3.076 0.123 1.00 57.68 C ATOM 1700 NZ LYS A 905 -13.350 -2.388 -0.810 1.00 69.54 N ATOM 1701 HZ1 LYS A 905 -12.902 -1.519 -1.164 1.00 0.00 H ATOM 1702 HZ2 LYS A 905 -13.567 -3.018 -1.609 1.00 0.00 H ATOM 1703 HZ3 LYS A 905 -14.229 -2.147 -0.308 1.00 0.00 H ATOM 1704 H LYS A 905 -8.111 -4.008 2.545 1.00 0.00 H ATOM 1705 N MET A 906 -5.712 -3.332 0.338 1.00 25.70 N ATOM 1706 CA MET A 906 -4.480 -2.761 -0.189 1.00 26.43 C ATOM 1707 C MET A 906 -3.270 -3.704 -0.107 1.00 33.03 C ATOM 1708 O MET A 906 -2.510 -3.770 -1.078 1.00 33.34 O ATOM 1709 CB MET A 906 -4.178 -1.422 0.518 1.00 28.55 C ATOM 1710 CG MET A 906 -3.078 -0.582 -0.137 1.00 33.57 C ATOM 1711 SD MET A 906 -3.283 -0.263 -1.925 1.00 40.54 S ATOM 1712 CE MET A 906 -4.749 0.745 -1.925 1.00 37.05 C ATOM 1713 H MET A 906 -6.105 -2.884 1.190 1.00 0.00 H ATOM 1714 N VAL A 907 -3.067 -4.402 1.042 1.00 30.31 N ATOM 1715 CA VAL A 907 -1.918 -5.318 1.238 1.00 30.75 C ATOM 1716 C VAL A 907 -1.859 -6.460 0.191 1.00 37.56 C ATOM 1717 O VAL A 907 -0.759 -6.941 -0.098 1.00 38.03 O ATOM 1718 CB VAL A 907 -1.758 -5.870 2.677 1.00 34.01 C ATOM 1719 CG1 VAL A 907 -1.513 -4.745 3.670 1.00 32.72 C ATOM 1720 CG2 VAL A 907 -2.937 -6.737 3.103 1.00 34.36 C ATOM 1721 H VAL A 907 -3.749 -4.288 1.819 1.00 0.00 H ATOM 1722 N THR A 908 -3.015 -6.848 -0.398 1.00 35.74 N ATOM 1723 CA THR A 908 -3.110 -7.882 -1.442 1.00 38.30 C ATOM 1724 C THR A 908 -2.233 -7.530 -2.662 1.00 44.79 C ATOM 1725 O THR A 908 -1.630 -8.426 -3.259 1.00 46.44 O ATOM 1726 CB THR A 908 -4.572 -8.171 -1.845 1.00 45.83 C ATOM 1727 OG1 THR A 908 -5.076 -7.100 -2.645 1.00 47.92 O ATOM 1728 CG2 THR A 908 -5.486 -8.440 -0.648 1.00 40.95 C ATOM 1729 HG1 THR A 908 -5.040 -6.257 -2.127 1.00 0.00 H ATOM 1730 H THR A 908 -3.895 -6.385 -0.093 1.00 0.00 H ATOM 1731 N LYS A 909 -2.146 -6.224 -2.999 1.00 40.63 N ATOM 1732 CA LYS A 909 -1.330 -5.698 -4.097 1.00 67.51 C ATOM 1733 C LYS A 909 0.127 -5.646 -3.643 1.00 88.61 C ATOM 1734 O LYS A 909 1.029 -5.970 -4.410 1.00 51.06 O ATOM 1735 CB LYS A 909 -1.795 -4.285 -4.497 1.00 69.37 C ATOM 1736 CG LYS A 909 -3.233 -4.204 -5.004 1.00 83.34 C ATOM 1737 CD LYS A 909 -3.698 -2.759 -5.097 1.00 91.18 C ATOM 1738 CE LYS A 909 -5.157 -2.648 -5.455 1.00100.95 C ATOM 1739 NZ LYS A 909 -5.589 -1.230 -5.555 1.00108.11 N ATOM 1740 HZ1 LYS A 909 -5.438 -0.757 -4.641 1.00 0.00 H ATOM 1741 HZ2 LYS A 909 -5.032 -0.750 -6.291 1.00 0.00 H ATOM 1742 HZ3 LYS A 909 -6.598 -1.193 -5.803 1.00 0.00 H ATOM 1743 H LYS A 909 -2.698 -5.543 -2.439 1.00 0.00 H TER 1744 LYS A 909 ATOM 1745 N SER A 917 -1.014 -12.446 1.659 1.00 30.14 N ATOM 1746 CA SER A 917 -1.117 -11.028 2.008 1.00 28.56 C ATOM 1747 C SER A 917 -1.320 -10.807 3.509 1.00 29.15 C ATOM 1748 O SER A 917 -1.086 -9.689 3.984 1.00 27.28 O ATOM 1749 CB SER A 917 -2.242 -10.361 1.220 1.00 32.28 C ATOM 1750 OG SER A 917 -3.495 -10.955 1.520 1.00 43.34 O ATOM 1751 HG SER A 917 -4.206 -10.505 0.997 1.00 0.00 H ATOM 1752 HN3 SER A 917 -1.888 -12.935 1.940 1.00 0.00 H ATOM 1753 HN2 SER A 917 -0.204 -12.867 2.158 1.00 0.00 H ATOM 1754 HN1 SER A 917 -0.877 -12.540 0.632 1.00 0.00 H ATOM 1755 N TRP A 918 -1.762 -11.859 4.258 1.00 23.63 N ATOM 1756 CA TRP A 918 -1.985 -11.757 5.707 1.00 21.67 C ATOM 1757 C TRP A 918 -0.708 -11.378 6.437 1.00 21.05 C ATOM 1758 O TRP A 918 -0.770 -10.670 7.432 1.00 20.01 O ATOM 1759 CB TRP A 918 -2.606 -13.039 6.315 1.00 21.69 C ATOM 1760 CG TRP A 918 -1.762 -14.275 6.186 1.00 23.47 C ATOM 1761 CD1 TRP A 918 -1.791 -15.178 5.165 1.00 27.51 C ATOM 1762 CD2 TRP A 918 -0.740 -14.722 7.089 1.00 23.57 C ATOM 1763 NE1 TRP A 918 -0.875 -16.179 5.392 1.00 27.94 N ATOM 1764 CE2 TRP A 918 -0.213 -15.923 6.564 1.00 28.49 C ATOM 1765 CE3 TRP A 918 -0.224 -14.233 8.302 1.00 24.22 C ATOM 1766 CZ2 TRP A 918 0.814 -16.634 7.198 1.00 28.38 C ATOM 1767 CZ3 TRP A 918 0.805 -14.930 8.921 1.00 26.29 C ATOM 1768 CH2 TRP A 918 1.300 -16.126 8.381 1.00 28.07 C ATOM 1769 HE1 TRP A 918 -0.711 -16.999 4.773 1.00 0.00 H ATOM 1770 H TRP A 918 -1.948 -12.767 3.786 1.00 0.00 H ATOM 1771 N GLN A 919 0.442 -11.859 5.951 1.00 15.70 N ATOM 1772 CA GLN A 919 1.723 -11.572 6.576 1.00 15.57 C ATOM 1773 C GLN A 919 1.977 -10.074 6.526 1.00 18.15 C ATOM 1774 O GLN A 919 2.273 -9.498 7.564 1.00 15.67 O ATOM 1775 CB GLN A 919 2.875 -12.352 5.925 1.00 17.91 C ATOM 1776 CG GLN A 919 2.734 -13.858 6.008 1.00 40.62 C ATOM 1777 CD GLN A 919 2.541 -14.506 4.657 1.00 60.00 C ATOM 1778 OE1 GLN A 919 3.328 -15.369 4.248 1.00 53.75 O ATOM 1779 NE2 GLN A 919 1.485 -14.120 3.938 1.00 49.96 N ATOM 1780 HE22 GLN A 919 0.841 -13.392 4.309 1.00 0.00 H ATOM 1781 HE21 GLN A 919 1.306 -14.547 3.007 1.00 0.00 H ATOM 1782 H GLN A 919 0.419 -12.456 5.100 1.00 0.00 H ATOM 1783 N ARG A 920 1.793 -9.432 5.351 1.00 16.56 N ATOM 1784 CA ARG A 920 1.989 -7.982 5.246 1.00 15.74 C ATOM 1785 C ARG A 920 1.006 -7.202 6.129 1.00 15.65 C ATOM 1786 O ARG A 920 1.433 -6.267 6.789 1.00 15.09 O ATOM 1787 CB ARG A 920 1.982 -7.489 3.799 1.00 17.53 C ATOM 1788 CG ARG A 920 2.483 -6.058 3.688 1.00 18.83 C ATOM 1789 CD ARG A 920 3.023 -5.768 2.324 1.00 23.46 C ATOM 1790 NE ARG A 920 3.518 -4.393 2.234 1.00 20.71 N ATOM 1791 CZ ARG A 920 4.762 -4.023 2.521 1.00 28.51 C ATOM 1792 NH1 ARG A 920 5.651 -4.920 2.946 1.00 13.05 N ATOM 1793 NH2 ARG A 920 5.126 -2.756 2.393 1.00 16.80 N ATOM 1794 HE ARG A 920 2.852 -3.657 1.925 1.00 0.00 H ATOM 1795 HH12 ARG A 920 6.623 -4.624 3.169 1.00 0.00 H ATOM 1796 HH11 ARG A 920 5.373 -5.916 3.055 1.00 0.00 H ATOM 1797 HH22 ARG A 920 6.100 -2.469 2.618 1.00 0.00 H ATOM 1798 HH21 ARG A 920 4.438 -2.048 2.067 1.00 0.00 H ATOM 1799 H ARG A 920 1.509 -9.973 4.510 1.00 0.00 H ATOM 1800 N PHE A 921 -0.275 -7.619 6.194 1.00 13.01 N ATOM 1801 CA PHE A 921 -1.262 -6.951 7.046 1.00 12.63 C ATOM 1802 C PHE A 921 -0.786 -6.860 8.510 1.00 13.71 C ATOM 1803 O PHE A 921 -0.798 -5.769 9.093 1.00 10.38 O ATOM 1804 CB PHE A 921 -2.646 -7.615 6.941 1.00 15.56 C ATOM 1805 CG PHE A 921 -3.708 -6.927 7.766 1.00 16.98 C ATOM 1806 CD1 PHE A 921 -4.269 -5.721 7.346 1.00 19.98 C ATOM 1807 CD2 PHE A 921 -4.120 -7.460 8.982 1.00 18.76 C ATOM 1808 CE1 PHE A 921 -5.255 -5.090 8.106 1.00 20.47 C ATOM 1809 CE2 PHE A 921 -5.098 -6.821 9.749 1.00 21.86 C ATOM 1810 CZ PHE A 921 -5.661 -5.643 9.303 1.00 20.27 C ATOM 1811 H PHE A 921 -0.570 -8.437 5.624 1.00 0.00 H ATOM 1812 N TYR A 922 -0.308 -7.982 9.072 1.00 11.12 N ATOM 1813 CA TYR A 922 0.188 -8.013 10.450 1.00 10.08 C ATOM 1814 C TYR A 922 1.504 -7.263 10.616 1.00 12.92 C ATOM 1815 O TYR A 922 1.764 -6.776 11.704 1.00 12.48 O ATOM 1816 CB TYR A 922 0.274 -9.444 11.003 1.00 10.94 C ATOM 1817 CG TYR A 922 -1.076 -10.091 11.225 1.00 12.19 C ATOM 1818 CD1 TYR A 922 -1.938 -9.628 12.217 1.00 13.89 C ATOM 1819 CD2 TYR A 922 -1.473 -11.192 10.478 1.00 13.69 C ATOM 1820 CE1 TYR A 922 -3.156 -10.259 12.470 1.00 15.92 C ATOM 1821 CE2 TYR A 922 -2.708 -11.810 10.695 1.00 15.00 C ATOM 1822 CZ TYR A 922 -3.546 -11.332 11.692 1.00 21.08 C ATOM 1823 OH TYR A 922 -4.749 -11.931 11.935 1.00 19.93 O ATOM 1824 HH TYR A 922 -5.208 -11.459 12.675 1.00 0.00 H ATOM 1825 H TYR A 922 -0.289 -8.857 8.511 1.00 0.00 H ATOM 1826 N GLN A 923 2.330 -7.146 9.558 1.00 10.69 N ATOM 1827 CA GLN A 923 3.557 -6.350 9.669 1.00 9.81 C ATOM 1828 C GLN A 923 3.169 -4.850 9.808 1.00 13.20 C ATOM 1829 O GLN A 923 3.766 -4.121 10.596 1.00 12.44 O ATOM 1830 CB GLN A 923 4.461 -6.551 8.432 1.00 10.73 C ATOM 1831 CG GLN A 923 5.214 -7.882 8.408 1.00 20.93 C ATOM 1832 CD GLN A 923 6.122 -8.025 7.208 1.00 41.55 C ATOM 1833 OE1 GLN A 923 7.310 -8.349 7.347 1.00 45.02 O ATOM 1834 NE2 GLN A 923 5.601 -7.778 6.002 1.00 23.25 N ATOM 1835 HE22 GLN A 923 4.601 -7.508 5.913 1.00 0.00 H ATOM 1836 HE21 GLN A 923 6.196 -7.856 5.153 1.00 0.00 H ATOM 1837 H GLN A 923 2.097 -7.620 8.662 1.00 0.00 H ATOM 1838 N LEU A 924 2.125 -4.417 9.078 1.00 11.42 N ATOM 1839 CA LEU A 924 1.656 -3.036 9.102 1.00 10.68 C ATOM 1840 C LEU A 924 0.921 -2.676 10.397 1.00 12.44 C ATOM 1841 O LEU A 924 1.181 -1.603 10.949 1.00 12.46 O ATOM 1842 CB LEU A 924 0.816 -2.694 7.851 1.00 11.12 C ATOM 1843 CG LEU A 924 1.499 -2.892 6.471 1.00 15.40 C ATOM 1844 CD1 LEU A 924 0.619 -2.324 5.380 1.00 15.55 C ATOM 1845 CD2 LEU A 924 2.919 -2.265 6.414 1.00 17.87 C ATOM 1846 H LEU A 924 1.629 -5.098 8.468 1.00 0.00 H ATOM 1847 N THR A 925 0.088 -3.594 10.928 1.00 9.38 N ATOM 1848 CA THR A 925 -0.625 -3.356 12.182 1.00 9.42 C ATOM 1849 C THR A 925 0.345 -3.327 13.343 1.00 13.20 C ATOM 1850 O THR A 925 0.166 -2.497 14.234 1.00 12.23 O ATOM 1851 CB THR A 925 -1.812 -4.307 12.401 1.00 12.58 C ATOM 1852 OG1 THR A 925 -1.333 -5.650 12.403 1.00 13.69 O ATOM 1853 CG2 THR A 925 -2.913 -4.116 11.368 1.00 10.90 C ATOM 1854 HG1 THR A 925 -2.092 -6.270 12.544 1.00 0.00 H ATOM 1855 H THR A 925 -0.051 -4.497 10.431 1.00 0.00 H ATOM 1856 N LYS A 926 1.410 -4.165 13.297 1.00 11.05 N ATOM 1857 CA LYS A 926 2.482 -4.175 14.307 1.00 10.33 C ATOM 1858 C LYS A 926 3.216 -2.804 14.287 1.00 14.17 C ATOM 1859 O LYS A 926 3.474 -2.242 15.349 1.00 13.20 O ATOM 1860 CB LYS A 926 3.462 -5.337 14.085 1.00 11.11 C ATOM 1861 CG LYS A 926 4.603 -5.376 15.102 1.00 19.02 C ATOM 1862 CD LYS A 926 5.614 -6.484 14.794 1.00 37.08 C ATOM 1863 CE LYS A 926 6.695 -6.553 15.850 1.00 48.01 C ATOM 1864 NZ LYS A 926 7.668 -7.646 15.579 1.00 61.13 N ATOM 1865 HZ1 LYS A 926 7.168 -8.558 15.564 1.00 0.00 H ATOM 1866 HZ2 LYS A 926 8.122 -7.484 14.658 1.00 0.00 H ATOM 1867 HZ3 LYS A 926 8.391 -7.658 16.326 1.00 0.00 H ATOM 1868 H LYS A 926 1.473 -4.837 12.506 1.00 0.00 H ATOM 1869 N LEU A 927 3.500 -2.262 13.086 1.00 11.59 N ATOM 1870 CA LEU A 927 4.138 -0.948 12.895 1.00 11.33 C ATOM 1871 C LEU A 927 3.237 0.170 13.478 1.00 13.85 C ATOM 1872 O LEU A 927 3.712 0.967 14.277 1.00 13.74 O ATOM 1873 CB LEU A 927 4.447 -0.698 11.398 1.00 11.72 C ATOM 1874 CG LEU A 927 5.222 0.595 11.029 1.00 16.01 C ATOM 1875 CD1 LEU A 927 6.615 0.577 11.611 1.00 16.41 C ATOM 1876 CD2 LEU A 927 5.345 0.743 9.512 1.00 18.35 C ATOM 1877 H LEU A 927 3.252 -2.808 12.237 1.00 0.00 H ATOM 1878 N LEU A 928 1.931 0.162 13.155 1.00 10.65 N ATOM 1879 CA LEU A 928 0.974 1.133 13.696 1.00 10.20 C ATOM 1880 C LEU A 928 0.921 1.073 15.221 1.00 15.59 C ATOM 1881 O LEU A 928 0.931 2.121 15.865 1.00 15.09 O ATOM 1882 CB LEU A 928 -0.434 0.896 13.128 1.00 11.49 C ATOM 1883 CG LEU A 928 -0.688 1.466 11.737 1.00 17.72 C ATOM 1884 CD1 LEU A 928 -2.054 1.079 11.235 1.00 18.62 C ATOM 1885 CD2 LEU A 928 -0.566 2.962 11.723 1.00 21.74 C ATOM 1886 H LEU A 928 1.586 -0.563 12.494 1.00 0.00 H ATOM 1887 N ASP A 929 0.899 -0.158 15.807 1.00 12.83 N ATOM 1888 CA ASP A 929 0.843 -0.339 17.258 1.00 12.44 C ATOM 1889 C ASP A 929 2.081 0.229 17.942 1.00 15.98 C ATOM 1890 O ASP A 929 1.956 0.882 18.979 1.00 16.52 O ATOM 1891 CB ASP A 929 0.641 -1.829 17.630 1.00 14.57 C ATOM 1892 CG ASP A 929 -0.805 -2.330 17.575 1.00 16.13 C ATOM 1893 OD1 ASP A 929 -1.712 -1.527 17.217 1.00 14.10 O ATOM 1894 OD2 ASP A 929 -1.029 -3.512 17.881 1.00 20.03 O ATOM 1895 H ASP A 929 0.923 -1.001 15.199 1.00 0.00 H ATOM 1896 N SER A 930 3.265 0.014 17.349 1.00 11.80 N ATOM 1897 CA SER A 930 4.524 0.514 17.893 1.00 12.45 C ATOM 1898 C SER A 930 4.591 2.074 17.899 1.00 16.71 C ATOM 1899 O SER A 930 5.439 2.624 18.591 1.00 16.99 O ATOM 1900 CB SER A 930 5.703 -0.077 17.131 1.00 14.74 C ATOM 1901 OG SER A 930 5.822 0.527 15.856 1.00 21.75 O ATOM 1902 HG SER A 930 4.993 0.370 15.339 1.00 0.00 H ATOM 1903 H SER A 930 3.287 -0.532 16.464 1.00 0.00 H ATOM 1904 N MET A 931 3.692 2.774 17.160 1.00 13.18 N ATOM 1905 CA MET A 931 3.678 4.246 17.136 1.00 11.69 C ATOM 1906 C MET A 931 3.281 4.825 18.499 1.00 17.68 C ATOM 1907 O MET A 931 3.840 5.841 18.907 1.00 17.40 O ATOM 1908 CB MET A 931 2.786 4.814 16.010 1.00 12.49 C ATOM 1909 CG MET A 931 3.315 4.567 14.600 1.00 14.58 C ATOM 1910 SD MET A 931 4.952 5.286 14.263 1.00 17.38 S ATOM 1911 CE MET A 931 4.600 7.009 14.476 1.00 13.63 C ATOM 1912 H MET A 931 2.992 2.254 16.593 1.00 0.00 H ATOM 1913 N HIS A 932 2.381 4.142 19.225 1.00 13.38 N ATOM 1914 CA HIS A 932 1.886 4.572 20.542 1.00 12.14 C ATOM 1915 C HIS A 932 3.023 4.773 21.581 1.00 14.90 C ATOM 1916 O HIS A 932 3.062 5.806 22.262 1.00 13.41 O ATOM 1917 CB HIS A 932 0.834 3.583 21.057 1.00 13.31 C ATOM 1918 CG HIS A 932 -0.529 3.728 20.438 1.00 17.33 C ATOM 1919 ND1 HIS A 932 -1.219 4.939 20.468 1.00 19.76 N ATOM 1920 CD2 HIS A 932 -1.334 2.784 19.894 1.00 20.05 C ATOM 1921 CE1 HIS A 932 -2.400 4.698 19.908 1.00 19.32 C ATOM 1922 NE2 HIS A 932 -2.515 3.419 19.538 1.00 19.99 N ATOM 1923 H HIS A 932 2.011 3.253 18.832 1.00 0.00 H ATOM 1924 N ASP A 933 3.956 3.820 21.673 1.00 11.16 N ATOM 1925 CA ASP A 933 5.076 3.902 22.621 1.00 11.96 C ATOM 1926 C ASP A 933 6.031 5.065 22.329 1.00 16.46 C ATOM 1927 O ASP A 933 6.414 5.790 23.249 1.00 15.18 O ATOM 1928 CB ASP A 933 5.810 2.562 22.695 1.00 15.98 C ATOM 1929 CG ASP A 933 4.846 1.444 23.065 1.00 41.52 C ATOM 1930 OD1 ASP A 933 4.667 1.194 24.278 1.00 44.61 O ATOM 1931 OD2 ASP A 933 4.158 0.918 22.145 1.00 49.57 O ATOM 1932 H ASP A 933 3.887 2.990 21.051 1.00 0.00 H ATOM 1933 N LEU A 934 6.401 5.256 21.048 1.00 14.16 N ATOM 1934 CA LEU A 934 7.269 6.378 20.676 1.00 14.34 C ATOM 1935 C LEU A 934 6.560 7.720 20.948 1.00 13.14 C ATOM 1936 O LEU A 934 7.169 8.644 21.492 1.00 10.94 O ATOM 1937 CB LEU A 934 7.679 6.269 19.199 1.00 14.93 C ATOM 1938 CG LEU A 934 8.476 7.464 18.630 1.00 20.73 C ATOM 1939 CD1 LEU A 934 9.894 7.546 19.218 1.00 20.46 C ATOM 1940 CD2 LEU A 934 8.485 7.429 17.134 1.00 26.15 C ATOM 1941 H LEU A 934 6.067 4.600 20.314 1.00 0.00 H ATOM 1942 N VAL A 935 5.287 7.817 20.559 1.00 10.61 N ATOM 1943 CA VAL A 935 4.475 9.031 20.740 1.00 10.83 C ATOM 1944 C VAL A 935 4.371 9.391 22.225 1.00 13.48 C ATOM 1945 O VAL A 935 4.461 10.575 22.564 1.00 10.96 O ATOM 1946 CB VAL A 935 3.112 8.909 20.048 1.00 15.18 C ATOM 1947 CG1 VAL A 935 2.150 10.021 20.480 1.00 16.45 C ATOM 1948 CG2 VAL A 935 3.302 8.916 18.542 1.00 14.48 C ATOM 1949 H VAL A 935 4.846 6.992 20.104 1.00 0.00 H ATOM 1950 N SER A 936 4.229 8.372 23.098 1.00 10.64 N ATOM 1951 CA SER A 936 4.161 8.554 24.550 1.00 11.59 C ATOM 1952 C SER A 936 5.411 9.282 25.056 1.00 15.31 C ATOM 1953 O SER A 936 5.286 10.254 25.802 1.00 14.80 O ATOM 1954 CB SER A 936 4.020 7.208 25.256 1.00 16.54 C ATOM 1955 OG SER A 936 3.963 7.375 26.664 1.00 23.88 O ATOM 1956 HG SER A 936 3.872 6.489 27.097 1.00 0.00 H ATOM 1957 H SER A 936 4.164 7.405 22.720 1.00 0.00 H ATOM 1958 N ASP A 937 6.599 8.839 24.606 1.00 11.94 N ATOM 1959 CA ASP A 937 7.901 9.413 24.988 1.00 11.60 C ATOM 1960 C ASP A 937 8.093 10.822 24.401 1.00 11.37 C ATOM 1961 O ASP A 937 8.645 11.684 25.083 1.00 11.99 O ATOM 1962 CB ASP A 937 9.041 8.477 24.595 1.00 13.87 C ATOM 1963 CG ASP A 937 9.016 7.128 25.310 1.00 28.42 C ATOM 1964 OD1 ASP A 937 8.555 7.078 26.480 1.00 27.98 O ATOM 1965 OD2 ASP A 937 9.464 6.124 24.702 1.00 34.76 O ATOM 1966 H ASP A 937 6.598 8.037 23.944 1.00 0.00 H ATOM 1967 N LEU A 938 7.645 11.047 23.153 1.00 8.65 N ATOM 1968 CA LEU A 938 7.683 12.371 22.517 1.00 7.53 C ATOM 1969 C LEU A 938 6.785 13.345 23.271 1.00 10.44 C ATOM 1970 O LEU A 938 7.217 14.454 23.558 1.00 9.01 O ATOM 1971 CB LEU A 938 7.265 12.321 21.042 1.00 7.33 C ATOM 1972 CG LEU A 938 8.255 11.627 20.100 1.00 10.76 C ATOM 1973 CD1 LEU A 938 7.639 11.455 18.733 1.00 10.66 C ATOM 1974 CD2 LEU A 938 9.579 12.390 20.001 1.00 12.22 C ATOM 1975 H LEU A 938 7.254 10.248 22.614 1.00 0.00 H ATOM 1976 N LEU A 939 5.543 12.927 23.616 1.00 7.90 N ATOM 1977 CA LEU A 939 4.633 13.777 24.381 1.00 7.65 C ATOM 1978 C LEU A 939 5.172 14.095 25.775 1.00 12.02 C ATOM 1979 O LEU A 939 5.024 15.234 26.227 1.00 12.38 O ATOM 1980 CB LEU A 939 3.214 13.181 24.455 1.00 7.70 C ATOM 1981 CG LEU A 939 2.375 13.270 23.170 1.00 11.39 C ATOM 1982 CD1 LEU A 939 1.117 12.417 23.304 1.00 11.18 C ATOM 1983 CD2 LEU A 939 1.992 14.741 22.829 1.00 13.17 C ATOM 1984 H LEU A 939 5.230 11.978 23.329 1.00 0.00 H ATOM 1985 N GLU A 940 5.785 13.112 26.455 1.00 10.10 N ATOM 1986 CA GLU A 940 6.384 13.318 27.784 1.00 11.47 C ATOM 1987 C GLU A 940 7.409 14.478 27.724 1.00 15.38 C ATOM 1988 O GLU A 940 7.396 15.364 28.583 1.00 16.04 O ATOM 1989 CB GLU A 940 7.046 12.020 28.263 1.00 13.78 C ATOM 1990 CG GLU A 940 7.553 12.052 29.697 1.00 28.21 C ATOM 1991 CD GLU A 940 8.540 10.954 30.062 1.00 60.31 C ATOM 1992 OE1 GLU A 940 8.630 9.948 29.319 1.00 61.08 O ATOM 1993 OE2 GLU A 940 9.226 11.102 31.100 1.00 60.17 O ATOM 1994 H GLU A 940 5.839 12.167 26.025 1.00 0.00 H ATOM 1995 N PHE A 941 8.279 14.485 26.701 1.00 11.02 N ATOM 1996 CA PHE A 941 9.257 15.554 26.566 1.00 10.67 C ATOM 1997 C PHE A 941 8.606 16.882 26.185 1.00 13.98 C ATOM 1998 O PHE A 941 9.015 17.916 26.692 1.00 13.91 O ATOM 1999 CB PHE A 941 10.369 15.185 25.578 1.00 11.66 C ATOM 2000 CG PHE A 941 11.515 16.172 25.581 1.00 12.51 C ATOM 2001 CD1 PHE A 941 12.344 16.298 26.689 1.00 18.67 C ATOM 2002 CD2 PHE A 941 11.784 16.946 24.468 1.00 13.37 C ATOM 2003 CE1 PHE A 941 13.421 17.200 26.681 1.00 20.37 C ATOM 2004 CE2 PHE A 941 12.843 17.861 24.468 1.00 17.77 C ATOM 2005 CZ PHE A 941 13.660 17.975 25.568 1.00 17.19 C ATOM 2006 H PHE A 941 8.254 13.719 25.998 1.00 0.00 H ATOM 2007 N CYS A 942 7.585 16.841 25.312 1.00 10.91 N ATOM 2008 CA CYS A 942 6.881 18.020 24.846 1.00 12.78 C ATOM 2009 C CYS A 942 6.131 18.685 26.003 1.00 14.71 C ATOM 2010 O CYS A 942 6.209 19.904 26.145 1.00 12.97 O ATOM 2011 CB CYS A 942 5.948 17.659 23.696 1.00 14.28 C ATOM 2012 SG CYS A 942 5.207 19.090 22.877 1.00 18.83 S ATOM 2013 H CYS A 942 7.283 15.913 24.951 1.00 0.00 H ATOM 2014 N PHE A 943 5.492 17.875 26.881 1.00 10.41 N ATOM 2015 CA PHE A 943 4.786 18.388 28.066 1.00 9.58 C ATOM 2016 C PHE A 943 5.762 19.070 29.032 1.00 14.65 C ATOM 2017 O PHE A 943 5.479 20.160 29.544 1.00 14.82 O ATOM 2018 CB PHE A 943 3.995 17.262 28.751 1.00 10.63 C ATOM 2019 CG PHE A 943 2.828 16.710 27.960 1.00 10.87 C ATOM 2020 CD1 PHE A 943 2.300 17.409 26.882 1.00 13.22 C ATOM 2021 CD2 PHE A 943 2.251 15.488 28.303 1.00 12.26 C ATOM 2022 CE1 PHE A 943 1.220 16.896 26.155 1.00 14.37 C ATOM 2023 CE2 PHE A 943 1.191 14.963 27.559 1.00 14.22 C ATOM 2024 CZ PHE A 943 0.672 15.675 26.501 1.00 13.05 C ATOM 2025 H PHE A 943 5.501 16.849 26.711 1.00 0.00 H ATOM 2026 N TYR A 944 6.943 18.471 29.203 1.00 11.65 N ATOM 2027 CA TYR A 944 8.012 18.996 30.033 1.00 11.99 C ATOM 2028 C TYR A 944 8.481 20.373 29.548 1.00 15.21 C ATOM 2029 O TYR A 944 8.530 21.305 30.358 1.00 13.27 O ATOM 2030 CB TYR A 944 9.179 17.991 30.114 1.00 14.05 C ATOM 2031 CG TYR A 944 10.400 18.539 30.820 1.00 17.84 C ATOM 2032 CD1 TYR A 944 10.497 18.509 32.206 1.00 21.02 C ATOM 2033 CD2 TYR A 944 11.445 19.114 30.104 1.00 19.07 C ATOM 2034 CE1 TYR A 944 11.615 19.018 32.862 1.00 23.55 C ATOM 2035 CE2 TYR A 944 12.562 19.643 30.751 1.00 21.43 C ATOM 2036 CZ TYR A 944 12.644 19.589 32.130 1.00 33.94 C ATOM 2037 OH TYR A 944 13.741 20.103 32.778 1.00 42.86 O ATOM 2038 HH TYR A 944 13.633 19.980 33.754 1.00 0.00 H ATOM 2039 H TYR A 944 7.108 17.570 28.710 1.00 0.00 H ATOM 2040 N THR A 945 8.830 20.506 28.242 1.00 12.21 N ATOM 2041 CA THR A 945 9.300 21.790 27.710 1.00 12.46 C ATOM 2042 C THR A 945 8.179 22.836 27.711 1.00 15.97 C ATOM 2043 O THR A 945 8.461 24.005 27.893 1.00 15.04 O ATOM 2044 CB THR A 945 10.004 21.671 26.345 1.00 15.39 C ATOM 2045 OG1 THR A 945 9.027 21.556 25.319 1.00 21.63 O ATOM 2046 CG2 THR A 945 11.021 20.511 26.282 1.00 9.56 C ATOM 2047 HG1 THR A 945 9.479 21.479 24.442 1.00 0.00 H ATOM 2048 H THR A 945 8.763 19.684 27.609 1.00 0.00 H ATOM 2049 N PHE A 946 6.918 22.409 27.561 1.00 12.57 N ATOM 2050 CA PHE A 946 5.758 23.291 27.595 1.00 11.88 C ATOM 2051 C PHE A 946 5.534 23.888 28.991 1.00 19.08 C ATOM 2052 O PHE A 946 5.377 25.105 29.124 1.00 18.76 O ATOM 2053 CB PHE A 946 4.512 22.532 27.133 1.00 12.19 C ATOM 2054 CG PHE A 946 3.307 23.424 26.958 1.00 13.27 C ATOM 2055 CD1 PHE A 946 3.167 24.214 25.822 1.00 15.16 C ATOM 2056 CD2 PHE A 946 2.302 23.459 27.919 1.00 15.31 C ATOM 2057 CE1 PHE A 946 2.034 25.006 25.638 1.00 17.01 C ATOM 2058 CE2 PHE A 946 1.163 24.244 27.728 1.00 17.39 C ATOM 2059 CZ PHE A 946 1.036 25.012 26.593 1.00 14.87 C ATOM 2060 H PHE A 946 6.758 21.392 27.412 1.00 0.00 H ATOM 2061 N ARG A 947 5.555 23.029 30.027 1.00 18.04 N ATOM 2062 CA ARG A 947 5.327 23.372 31.432 1.00 20.23 C ATOM 2063 C ARG A 947 6.383 24.289 32.042 1.00 29.98 C ATOM 2064 O ARG A 947 6.108 24.900 33.067 1.00 30.46 O ATOM 2065 CB ARG A 947 5.203 22.109 32.272 1.00 19.60 C ATOM 2066 CG ARG A 947 3.781 21.751 32.615 1.00 28.90 C ATOM 2067 CD ARG A 947 3.803 20.815 33.803 1.00 37.14 C ATOM 2068 NE ARG A 947 4.428 19.556 33.417 1.00 44.86 N ATOM 2069 CZ ARG A 947 3.793 18.396 33.372 1.00 54.84 C ATOM 2070 NH1 ARG A 947 2.533 18.306 33.783 1.00 34.00 N ATOM 2071 NH2 ARG A 947 4.427 17.303 32.971 1.00 43.52 N ATOM 2072 HE ARG A 947 5.436 19.570 33.161 1.00 0.00 H ATOM 2073 HH12 ARG A 947 2.038 17.392 33.746 1.00 0.00 H ATOM 2074 HH11 ARG A 947 2.042 19.149 34.142 1.00 0.00 H ATOM 2075 HH22 ARG A 947 3.924 16.393 32.937 1.00 0.00 H ATOM 2076 HH21 ARG A 947 5.427 17.355 32.690 1.00 0.00 H ATOM 2077 H ARG A 947 5.751 22.031 29.810 1.00 0.00 H ATOM 2078 N GLU A 948 7.579 24.370 31.442 1.00 29.73 N ATOM 2079 CA GLU A 948 8.656 25.267 31.887 1.00 33.13 C ATOM 2080 C GLU A 948 9.404 25.879 30.672 1.00 40.78 C ATOM 2081 O GLU A 948 10.639 25.932 30.645 1.00 42.86 O ATOM 2082 CB GLU A 948 9.583 24.577 32.914 1.00 35.60 C ATOM 2083 CG GLU A 948 10.067 23.183 32.537 1.00 47.96 C ATOM 2084 CD GLU A 948 9.732 22.101 33.549 1.00 75.56 C ATOM 2085 OE1 GLU A 948 8.718 21.393 33.353 1.00 75.08 O ATOM 2086 OE2 GLU A 948 10.489 21.957 34.536 1.00 73.23 O ATOM 2087 H GLU A 948 7.755 23.764 30.615 1.00 0.00 H ATOM 2088 N SER A 949 8.619 26.370 29.676 1.00 38.13 N ATOM 2089 CA SER A 949 9.087 26.909 28.393 1.00 38.00 C ATOM 2090 C SER A 949 10.066 28.073 28.498 1.00 45.22 C ATOM 2091 O SER A 949 11.152 27.924 27.950 1.00 44.25 O ATOM 2092 CB SER A 949 7.927 27.258 27.466 1.00 40.04 C ATOM 2093 OG SER A 949 7.168 28.368 27.911 1.00 52.43 O ATOM 2094 HG SER A 949 6.434 28.543 27.270 1.00 0.00 H ATOM 2095 H SER A 949 7.592 26.363 29.838 1.00 0.00 H ATOM 2096 N HIS A 950 9.715 29.208 29.179 1.00 44.83 N ATOM 2097 CA HIS A 950 10.620 30.370 29.312 1.00 46.16 C ATOM 2098 C HIS A 950 11.892 30.046 30.109 1.00 51.10 C ATOM 2099 O HIS A 950 12.940 30.636 29.832 1.00 51.48 O ATOM 2100 CB HIS A 950 9.913 31.628 29.864 1.00 48.12 C ATOM 2101 CG HIS A 950 10.784 32.854 29.842 1.00 52.98 C ATOM 2102 ND1 HIS A 950 11.142 33.470 28.646 1.00 54.83 N ATOM 2103 CD2 HIS A 950 11.384 33.511 30.863 1.00 55.98 C ATOM 2104 CE1 HIS A 950 11.929 34.483 28.982 1.00 55.27 C ATOM 2105 NE2 HIS A 950 12.101 34.552 30.302 1.00 56.44 N ATOM 2106 H HIS A 950 8.774 29.255 29.620 1.00 0.00 H ATOM 2107 N ALA A 951 11.809 29.081 31.059 1.00 47.90 N ATOM 2108 CA ALA A 951 12.940 28.599 31.870 1.00 48.34 C ATOM 2109 C ALA A 951 14.012 27.944 30.979 1.00 51.06 C ATOM 2110 O ALA A 951 15.198 27.972 31.320 1.00 52.28 O ATOM 2111 CB ALA A 951 12.452 27.608 32.921 1.00 49.01 C ATOM 2112 H ALA A 951 10.878 28.650 31.227 1.00 0.00 H ATOM 2113 N LEU A 952 13.584 27.393 29.824 1.00 44.53 N ATOM 2114 CA LEU A 952 14.426 26.745 28.813 1.00 42.90 C ATOM 2115 C LEU A 952 14.424 27.529 27.475 1.00 41.99 C ATOM 2116 O LEU A 952 15.034 27.065 26.503 1.00 41.46 O ATOM 2117 CB LEU A 952 13.925 25.299 28.570 1.00 42.21 C ATOM 2118 CG LEU A 952 13.904 24.345 29.770 1.00 47.07 C ATOM 2119 CD1 LEU A 952 12.812 23.298 29.608 1.00 45.91 C ATOM 2120 CD2 LEU A 952 15.266 23.694 29.987 1.00 49.12 C ATOM 2121 H LEU A 952 12.562 27.431 29.633 1.00 0.00 H ATOM 2122 N LYS A 953 13.730 28.706 27.434 1.00 34.39 N ATOM 2123 CA LYS A 953 13.543 29.615 26.279 1.00 32.04 C ATOM 2124 C LYS A 953 12.869 28.926 25.040 1.00 29.70 C ATOM 2125 O LYS A 953 13.101 29.330 23.897 1.00 29.87 O ATOM 2126 CB LYS A 953 14.863 30.316 25.903 1.00 35.02 C ATOM 2127 CG LYS A 953 15.280 31.384 26.905 1.00 51.39 C ATOM 2128 CD LYS A 953 16.551 32.089 26.472 1.00 63.04 C ATOM 2129 CE LYS A 953 16.808 33.326 27.297 1.00 77.12 C ATOM 2130 NZ LYS A 953 17.861 34.181 26.690 1.00 87.60 N ATOM 2131 HZ1 LYS A 953 18.748 33.641 26.622 1.00 0.00 H ATOM 2132 HZ2 LYS A 953 17.560 34.477 25.739 1.00 0.00 H ATOM 2133 HZ3 LYS A 953 18.010 35.021 27.285 1.00 0.00 H ATOM 2134 H LYS A 953 13.277 29.000 28.323 1.00 0.00 H ATOM 2135 N VAL A 954 12.011 27.923 25.276 1.00 20.67 N ATOM 2136 CA VAL A 954 11.353 27.208 24.174 1.00 18.68 C ATOM 2137 C VAL A 954 10.027 27.881 23.818 1.00 21.18 C ATOM 2138 O VAL A 954 9.119 27.957 24.653 1.00 21.27 O ATOM 2139 CB VAL A 954 11.222 25.679 24.412 1.00 21.50 C ATOM 2140 CG1 VAL A 954 10.625 24.976 23.186 1.00 19.72 C ATOM 2141 CG2 VAL A 954 12.568 25.054 24.788 1.00 21.68 C ATOM 2142 H VAL A 954 11.807 27.646 26.258 1.00 0.00 H ATOM 2143 N GLU A 955 9.928 28.370 22.575 1.00 15.79 N ATOM 2144 CA GLU A 955 8.732 29.065 22.071 1.00 14.26 C ATOM 2145 C GLU A 955 7.721 28.094 21.468 1.00 14.83 C ATOM 2146 O GLU A 955 8.107 27.165 20.764 1.00 13.04 O ATOM 2147 CB GLU A 955 9.126 30.115 21.028 1.00 15.94 C ATOM 2148 CG GLU A 955 10.073 31.186 21.560 1.00 28.73 C ATOM 2149 CD GLU A 955 10.425 32.281 20.571 1.00 60.20 C ATOM 2150 OE1 GLU A 955 10.896 31.954 19.457 1.00 61.91 O ATOM 2151 OE2 GLU A 955 10.254 33.471 20.923 1.00 57.39 O ATOM 2152 H GLU A 955 10.738 28.253 21.933 1.00 0.00 H ATOM 2153 N PHE A 956 6.431 28.325 21.737 1.00 10.07 N ATOM 2154 CA PHE A 956 5.314 27.548 21.210 1.00 9.50 C ATOM 2155 C PHE A 956 4.353 28.456 20.430 1.00 12.13 C ATOM 2156 O PHE A 956 3.957 29.500 20.963 1.00 11.67 O ATOM 2157 CB PHE A 956 4.551 26.844 22.354 1.00 11.90 C ATOM 2158 CG PHE A 956 5.270 25.647 22.923 1.00 13.26 C ATOM 2159 CD1 PHE A 956 6.190 25.793 23.957 1.00 15.08 C ATOM 2160 CD2 PHE A 956 5.012 24.368 22.442 1.00 14.79 C ATOM 2161 CE1 PHE A 956 6.862 24.688 24.477 1.00 15.53 C ATOM 2162 CE2 PHE A 956 5.676 23.258 22.974 1.00 16.41 C ATOM 2163 CZ PHE A 956 6.585 23.424 23.996 1.00 14.35 C ATOM 2164 H PHE A 956 6.207 29.119 22.370 1.00 0.00 H ATOM 2165 N PRO A 957 3.933 28.099 19.191 1.00 9.61 N ATOM 2166 CA PRO A 957 2.941 28.943 18.503 1.00 9.28 C ATOM 2167 C PRO A 957 1.562 28.754 19.141 1.00 11.04 C ATOM 2168 O PRO A 957 1.340 27.776 19.872 1.00 8.11 O ATOM 2169 CB PRO A 957 2.972 28.444 17.054 1.00 10.37 C ATOM 2170 CG PRO A 957 3.415 27.035 17.154 1.00 14.77 C ATOM 2171 CD PRO A 957 4.272 26.896 18.396 1.00 10.63 C ATOM 2172 N ALA A 958 0.652 29.704 18.891 1.00 8.53 N ATOM 2173 CA ALA A 958 -0.694 29.723 19.466 1.00 9.44 C ATOM 2174 C ALA A 958 -1.466 28.412 19.287 1.00 14.40 C ATOM 2175 O ALA A 958 -2.184 28.016 20.198 1.00 13.47 O ATOM 2176 CB ALA A 958 -1.491 30.892 18.898 1.00 10.48 C ATOM 2177 H ALA A 958 0.918 30.477 18.248 1.00 0.00 H ATOM 2178 N MET A 959 -1.337 27.778 18.108 1.00 14.00 N ATOM 2179 CA MET A 959 -2.000 26.515 17.782 1.00 16.06 C ATOM 2180 C MET A 959 -1.551 25.401 18.718 1.00 16.11 C ATOM 2181 O MET A 959 -2.401 24.711 19.272 1.00 15.47 O ATOM 2182 CB MET A 959 -1.831 26.146 16.296 1.00 19.47 C ATOM 2183 CG MET A 959 -3.008 26.650 15.461 1.00 26.73 C ATOM 2184 SD MET A 959 -4.288 25.392 15.118 1.00 33.28 S ATOM 2185 CE MET A 959 -4.799 24.883 16.787 1.00 29.61 C ATOM 2186 H MET A 959 -0.729 28.212 17.384 1.00 0.00 H ATOM 2187 N LEU A 960 -0.234 25.291 18.970 1.00 11.17 N ATOM 2188 CA LEU A 960 0.274 24.291 19.910 1.00 10.31 C ATOM 2189 C LEU A 960 -0.107 24.605 21.333 1.00 12.97 C ATOM 2190 O LEU A 960 -0.435 23.673 22.068 1.00 11.25 O ATOM 2191 CB LEU A 960 1.778 24.089 19.813 1.00 10.68 C ATOM 2192 CG LEU A 960 2.288 23.273 18.637 1.00 14.29 C ATOM 2193 CD1 LEU A 960 3.719 22.842 18.904 1.00 12.47 C ATOM 2194 CD2 LEU A 960 1.412 22.056 18.355 1.00 21.36 C ATOM 2195 H LEU A 960 0.434 25.927 18.489 1.00 0.00 H ATOM 2196 N VAL A 961 -0.092 25.903 21.732 1.00 8.05 N ATOM 2197 CA VAL A 961 -0.487 26.289 23.105 1.00 6.90 C ATOM 2198 C VAL A 961 -1.914 25.777 23.363 1.00 12.33 C ATOM 2199 O VAL A 961 -2.171 25.190 24.402 1.00 12.22 O ATOM 2200 CB VAL A 961 -0.393 27.818 23.377 1.00 10.07 C ATOM 2201 CG1 VAL A 961 -0.913 28.160 24.781 1.00 9.61 C ATOM 2202 CG2 VAL A 961 1.038 28.327 23.194 1.00 10.21 C ATOM 2203 H VAL A 961 0.203 26.640 21.060 1.00 0.00 H ATOM 2204 N GLU A 962 -2.830 26.003 22.411 1.00 10.78 N ATOM 2205 CA GLU A 962 -4.218 25.600 22.553 1.00 11.43 C ATOM 2206 C GLU A 962 -4.359 24.071 22.661 1.00 16.47 C ATOM 2207 O GLU A 962 -5.040 23.599 23.570 1.00 17.21 O ATOM 2208 CB GLU A 962 -5.000 26.140 21.366 1.00 13.14 C ATOM 2209 CG GLU A 962 -6.477 25.819 21.398 1.00 28.15 C ATOM 2210 CD GLU A 962 -7.143 26.450 20.202 1.00 51.28 C ATOM 2211 OE1 GLU A 962 -7.291 27.695 20.208 1.00 36.48 O ATOM 2212 OE2 GLU A 962 -7.407 25.719 19.218 1.00 43.92 O ATOM 2213 H GLU A 962 -2.536 26.485 21.538 1.00 0.00 H ATOM 2214 N ILE A 963 -3.719 23.319 21.744 1.00 11.78 N ATOM 2215 CA ILE A 963 -3.795 21.848 21.692 1.00 12.45 C ATOM 2216 C ILE A 963 -3.177 21.227 22.934 1.00 14.57 C ATOM 2217 O ILE A 963 -3.859 20.468 23.624 1.00 13.66 O ATOM 2218 CB ILE A 963 -3.203 21.276 20.376 1.00 15.85 C ATOM 2219 CG1 ILE A 963 -4.093 21.672 19.167 1.00 18.44 C ATOM 2220 CG2 ILE A 963 -3.021 19.745 20.473 1.00 17.27 C ATOM 2221 CD1 ILE A 963 -3.405 21.545 17.865 1.00 28.22 C ATOM 2222 H ILE A 963 -3.138 23.805 21.032 1.00 0.00 H ATOM 2223 N ILE A 964 -1.942 21.626 23.266 1.00 10.75 N ATOM 2224 CA ILE A 964 -1.230 21.098 24.435 1.00 10.26 C ATOM 2225 C ILE A 964 -1.964 21.427 25.744 1.00 14.69 C ATOM 2226 O ILE A 964 -2.104 20.532 26.570 1.00 14.74 O ATOM 2227 CB ILE A 964 0.276 21.504 24.479 1.00 12.96 C ATOM 2228 CG1 ILE A 964 1.048 20.950 23.248 1.00 12.66 C ATOM 2229 CG2 ILE A 964 0.933 21.001 25.771 1.00 13.14 C ATOM 2230 CD1 ILE A 964 2.398 21.601 23.008 1.00 11.32 C ATOM 2231 H ILE A 964 -1.470 22.337 22.672 1.00 0.00 H ATOM 2232 N SER A 965 -2.464 22.674 25.926 1.00 11.33 N ATOM 2233 CA SER A 965 -3.179 23.063 27.161 1.00 12.23 C ATOM 2234 C SER A 965 -4.398 22.155 27.443 1.00 18.11 C ATOM 2235 O SER A 965 -4.709 21.896 28.595 1.00 17.14 O ATOM 2236 CB SER A 965 -3.644 24.517 27.095 1.00 16.37 C ATOM 2237 OG SER A 965 -2.553 25.418 27.043 1.00 24.45 O ATOM 2238 HG SER A 965 -2.009 25.229 26.238 1.00 0.00 H ATOM 2239 H SER A 965 -2.341 23.380 25.173 1.00 0.00 H ATOM 2240 N ASP A 966 -5.092 21.713 26.393 1.00 15.86 N ATOM 2241 CA ASP A 966 -6.251 20.833 26.499 1.00 17.60 C ATOM 2242 C ASP A 966 -5.809 19.365 26.682 1.00 21.16 C ATOM 2243 O ASP A 966 -6.301 18.671 27.569 1.00 22.49 O ATOM 2244 CB ASP A 966 -7.121 20.976 25.234 1.00 20.42 C ATOM 2245 CG ASP A 966 -7.978 22.234 25.173 1.00 44.63 C ATOM 2246 OD1 ASP A 966 -8.127 22.910 26.222 1.00 47.47 O ATOM 2247 OD2 ASP A 966 -8.529 22.527 24.082 1.00 52.70 O ATOM 2248 H ASP A 966 -4.790 22.013 25.444 1.00 0.00 H ATOM 2249 N GLN A 967 -4.879 18.909 25.837 1.00 16.03 N ATOM 2250 CA GLN A 967 -4.373 17.545 25.792 1.00 15.17 C ATOM 2251 C GLN A 967 -3.561 17.131 27.035 1.00 18.74 C ATOM 2252 O GLN A 967 -3.823 16.052 27.557 1.00 19.17 O ATOM 2253 CB GLN A 967 -3.569 17.345 24.496 1.00 15.67 C ATOM 2254 CG GLN A 967 -3.038 15.935 24.272 1.00 21.52 C ATOM 2255 CD GLN A 967 -1.824 15.932 23.393 1.00 29.68 C ATOM 2256 OE1 GLN A 967 -1.165 16.955 23.194 1.00 21.50 O ATOM 2257 NE2 GLN A 967 -1.491 14.773 22.858 1.00 17.02 N ATOM 2258 HE22 GLN A 967 -2.068 13.929 23.046 1.00 0.00 H ATOM 2259 HE21 GLN A 967 -0.651 14.704 22.248 1.00 0.00 H ATOM 2260 H GLN A 967 -4.484 19.586 25.154 1.00 0.00 H ATOM 2261 N LEU A 968 -2.592 17.968 27.494 1.00 14.32 N ATOM 2262 CA LEU A 968 -1.684 17.721 28.641 1.00 14.45 C ATOM 2263 C LEU A 968 -2.437 17.193 29.894 1.00 20.84 C ATOM 2264 O LEU A 968 -2.071 16.113 30.355 1.00 20.01 O ATOM 2265 CB LEU A 968 -0.787 18.946 28.974 1.00 14.39 C ATOM 2266 CG LEU A 968 0.372 18.780 29.994 1.00 18.16 C ATOM 2267 CD1 LEU A 968 1.444 19.848 29.796 1.00 18.53 C ATOM 2268 CD2 LEU A 968 -0.124 18.878 31.441 1.00 17.48 C ATOM 2269 H LEU A 968 -2.476 18.871 26.991 1.00 0.00 H ATOM 2270 N PRO A 969 -3.471 17.885 30.447 1.00 19.72 N ATOM 2271 CA PRO A 969 -4.166 17.331 31.626 1.00 20.88 C ATOM 2272 C PRO A 969 -4.895 16.008 31.356 1.00 25.69 C ATOM 2273 O PRO A 969 -4.941 15.161 32.240 1.00 26.54 O ATOM 2274 CB PRO A 969 -5.139 18.445 32.037 1.00 23.38 C ATOM 2275 CG PRO A 969 -4.713 19.657 31.299 1.00 27.32 C ATOM 2276 CD PRO A 969 -4.058 19.177 30.050 1.00 21.35 C ATOM 2277 N LYS A 970 -5.430 15.813 30.137 1.00 21.39 N ATOM 2278 CA LYS A 970 -6.142 14.585 29.756 1.00 20.71 C ATOM 2279 C LYS A 970 -5.219 13.376 29.680 1.00 23.99 C ATOM 2280 O LYS A 970 -5.566 12.318 30.205 1.00 23.16 O ATOM 2281 CB LYS A 970 -6.907 14.776 28.437 1.00 22.29 C ATOM 2282 CG LYS A 970 -8.173 15.614 28.615 1.00 30.46 C ATOM 2283 CD LYS A 970 -8.697 16.143 27.286 1.00 44.60 C ATOM 2284 CE LYS A 970 -9.794 17.168 27.478 1.00 56.87 C ATOM 2285 NZ LYS A 970 -10.168 17.834 26.200 1.00 64.04 N ATOM 2286 HZ1 LYS A 970 -9.336 18.319 25.807 1.00 0.00 H ATOM 2287 HZ2 LYS A 970 -10.506 17.120 25.524 1.00 0.00 H ATOM 2288 HZ3 LYS A 970 -10.922 18.527 26.380 1.00 0.00 H ATOM 2289 H LYS A 970 -5.335 16.569 29.429 1.00 0.00 H ATOM 2290 N VAL A 971 -4.036 13.541 29.045 1.00 18.85 N ATOM 2291 CA VAL A 971 -3.031 12.483 28.882 1.00 19.23 C ATOM 2292 C VAL A 971 -2.451 12.057 30.243 1.00 26.69 C ATOM 2293 O VAL A 971 -2.368 10.855 30.510 1.00 28.68 O ATOM 2294 CB VAL A 971 -1.936 12.854 27.834 1.00 21.34 C ATOM 2295 CG1 VAL A 971 -0.788 11.841 27.816 1.00 20.89 C ATOM 2296 CG2 VAL A 971 -2.544 12.991 26.441 1.00 20.43 C ATOM 2297 H VAL A 971 -3.825 14.478 28.646 1.00 0.00 H ATOM 2298 N GLU A 972 -2.089 13.028 31.099 1.00 23.11 N ATOM 2299 CA GLU A 972 -1.525 12.744 32.428 1.00 23.98 C ATOM 2300 C GLU A 972 -2.539 12.151 33.417 1.00 29.40 C ATOM 2301 O GLU A 972 -2.140 11.363 34.275 1.00 30.51 O ATOM 2302 CB GLU A 972 -0.832 13.974 33.021 1.00 25.37 C ATOM 2303 CG GLU A 972 0.301 14.480 32.149 1.00 31.33 C ATOM 2304 CD GLU A 972 1.193 15.533 32.774 1.00 51.80 C ATOM 2305 OE1 GLU A 972 2.289 15.766 32.217 1.00 33.81 O ATOM 2306 OE2 GLU A 972 0.814 16.116 33.817 1.00 48.59 O ATOM 2307 H GLU A 972 -2.212 14.020 30.810 1.00 0.00 H ATOM 2308 N SER A 973 -3.838 12.499 33.291 1.00 25.86 N ATOM 2309 CA SER A 973 -4.886 11.940 34.159 1.00 26.64 C ATOM 2310 C SER A 973 -5.351 10.536 33.697 1.00 32.38 C ATOM 2311 O SER A 973 -6.234 9.947 34.324 1.00 32.78 O ATOM 2312 CB SER A 973 -6.071 12.896 34.273 1.00 29.61 C ATOM 2313 OG SER A 973 -6.799 12.987 33.059 1.00 34.83 O ATOM 2314 HG SER A 973 -6.202 13.318 32.342 1.00 0.00 H ATOM 2315 H SER A 973 -4.106 13.185 32.556 1.00 0.00 H ATOM 2316 N GLY A 974 -4.754 10.031 32.612 1.00 29.27 N ATOM 2317 CA GLY A 974 -5.065 8.732 32.022 1.00 29.38 C ATOM 2318 C GLY A 974 -6.380 8.691 31.264 1.00 33.95 C ATOM 2319 O GLY A 974 -6.962 7.614 31.083 1.00 33.60 O ATOM 2320 H GLY A 974 -4.016 10.604 32.156 1.00 0.00 H ATOM 2321 N ASN A 975 -6.868 9.861 30.818 1.00 30.27 N ATOM 2322 CA ASN A 975 -8.120 9.945 30.066 1.00 30.63 C ATOM 2323 C ASN A 975 -7.931 9.588 28.597 1.00 34.08 C ATOM 2324 O ASN A 975 -8.908 9.346 27.895 1.00 35.77 O ATOM 2325 CB ASN A 975 -8.811 11.295 30.246 1.00 33.58 C ATOM 2326 CG ASN A 975 -10.294 11.213 29.988 1.00 68.01 C ATOM 2327 OD1 ASN A 975 -10.772 11.527 28.892 1.00 63.63 O ATOM 2328 ND2 ASN A 975 -11.044 10.705 30.964 1.00 62.43 N ATOM 2329 HD22 ASN A 975 -10.610 10.451 31.875 1.00 0.00 H ATOM 2330 HD21 ASN A 975 -12.063 10.562 30.816 1.00 0.00 H ATOM 2331 H ASN A 975 -6.339 10.735 31.014 1.00 0.00 H ATOM 2332 N ALA A 976 -6.683 9.514 28.138 1.00 28.77 N ATOM 2333 CA ALA A 976 -6.391 9.124 26.772 1.00 27.27 C ATOM 2334 C ALA A 976 -6.475 7.609 26.694 1.00 31.65 C ATOM 2335 O ALA A 976 -6.127 6.907 27.659 1.00 34.08 O ATOM 2336 CB ALA A 976 -5.007 9.596 26.374 1.00 27.47 C ATOM 2337 H ALA A 976 -5.895 9.742 28.777 1.00 0.00 H ATOM 2338 N LYS A 977 -7.015 7.102 25.587 1.00 23.71 N ATOM 2339 CA LYS A 977 -7.116 5.665 25.394 1.00 22.06 C ATOM 2340 C LYS A 977 -6.504 5.275 24.062 1.00 21.76 C ATOM 2341 O LYS A 977 -7.147 5.426 23.022 1.00 20.59 O ATOM 2342 CB LYS A 977 -8.560 5.148 25.544 1.00 24.91 C ATOM 2343 CG LYS A 977 -8.695 3.630 25.422 1.00 33.93 C ATOM 2344 CD LYS A 977 -10.152 3.197 25.462 1.00 41.16 C ATOM 2345 CE LYS A 977 -10.289 1.698 25.446 1.00 56.00 C ATOM 2346 NZ LYS A 977 -11.663 1.269 25.818 1.00 70.59 N ATOM 2347 HZ1 LYS A 977 -11.884 1.609 26.776 1.00 0.00 H ATOM 2348 HZ2 LYS A 977 -12.345 1.668 25.142 1.00 0.00 H ATOM 2349 HZ3 LYS A 977 -11.719 0.231 25.796 1.00 0.00 H ATOM 2350 H LYS A 977 -7.370 7.744 24.850 1.00 0.00 H ATOM 2351 N PRO A 978 -5.252 4.782 24.072 1.00 17.66 N ATOM 2352 CA PRO A 978 -4.656 4.300 22.816 1.00 16.76 C ATOM 2353 C PRO A 978 -5.371 3.027 22.344 1.00 19.31 C ATOM 2354 O PRO A 978 -5.699 2.146 23.154 1.00 20.23 O ATOM 2355 CB PRO A 978 -3.185 4.035 23.195 1.00 19.38 C ATOM 2356 CG PRO A 978 -3.189 3.798 24.645 1.00 24.78 C ATOM 2357 CD PRO A 978 -4.372 4.526 25.233 1.00 20.22 C ATOM 2358 N LEU A 979 -5.714 2.985 21.061 1.00 13.17 N ATOM 2359 CA LEU A 979 -6.371 1.844 20.426 1.00 12.95 C ATOM 2360 C LEU A 979 -5.296 1.018 19.755 1.00 16.28 C ATOM 2361 O LEU A 979 -4.528 1.538 18.945 1.00 17.67 O ATOM 2362 CB LEU A 979 -7.449 2.275 19.413 1.00 12.36 C ATOM 2363 CG LEU A 979 -8.618 3.089 19.983 1.00 16.34 C ATOM 2364 CD1 LEU A 979 -9.583 3.478 18.901 1.00 16.13 C ATOM 2365 CD2 LEU A 979 -9.359 2.323 21.095 1.00 19.54 C ATOM 2366 H LEU A 979 -5.502 3.815 20.472 1.00 0.00 H ATOM 2367 N TYR A 980 -5.169 -0.228 20.197 1.00 10.59 N ATOM 2368 CA TYR A 980 -4.182 -1.164 19.698 1.00 10.40 C ATOM 2369 C TYR A 980 -4.846 -2.212 18.853 1.00 12.95 C ATOM 2370 O TYR A 980 -5.899 -2.712 19.235 1.00 12.23 O ATOM 2371 CB TYR A 980 -3.520 -1.869 20.898 1.00 12.93 C ATOM 2372 CG TYR A 980 -2.323 -1.130 21.437 1.00 16.73 C ATOM 2373 CD1 TYR A 980 -2.470 -0.111 22.378 1.00 18.61 C ATOM 2374 CD2 TYR A 980 -1.035 -1.458 21.023 1.00 18.18 C ATOM 2375 CE1 TYR A 980 -1.358 0.565 22.892 1.00 19.91 C ATOM 2376 CE2 TYR A 980 0.078 -0.784 21.517 1.00 19.05 C ATOM 2377 CZ TYR A 980 -0.088 0.233 22.444 1.00 24.04 C ATOM 2378 OH TYR A 980 1.030 0.856 22.939 1.00 21.55 O ATOM 2379 HH TYR A 980 0.758 1.555 23.585 1.00 0.00 H ATOM 2380 H TYR A 980 -5.816 -0.551 20.945 1.00 0.00 H ATOM 2381 N PHE A 981 -4.198 -2.634 17.760 1.00 10.07 N ATOM 2382 CA PHE A 981 -4.709 -3.772 16.977 1.00 11.36 C ATOM 2383 C PHE A 981 -4.471 -5.066 17.780 1.00 14.96 C ATOM 2384 O PHE A 981 -5.336 -5.944 17.865 1.00 16.62 O ATOM 2385 CB PHE A 981 -3.970 -3.873 15.629 1.00 13.56 C ATOM 2386 CG PHE A 981 -4.385 -2.805 14.654 1.00 16.20 C ATOM 2387 CD1 PHE A 981 -5.504 -2.977 13.844 1.00 20.10 C ATOM 2388 CD2 PHE A 981 -3.668 -1.617 14.553 1.00 18.66 C ATOM 2389 CE1 PHE A 981 -5.904 -1.974 12.956 1.00 20.55 C ATOM 2390 CE2 PHE A 981 -4.083 -0.607 13.682 1.00 21.57 C ATOM 2391 CZ PHE A 981 -5.203 -0.792 12.895 1.00 19.62 C ATOM 2392 H PHE A 981 -3.325 -2.154 17.461 1.00 0.00 H ATOM 2393 N HIS A 982 -3.297 -5.148 18.391 1.00 11.33 N ATOM 2394 CA HIS A 982 -2.848 -6.317 19.123 1.00 11.59 C ATOM 2395 C HIS A 982 -2.358 -5.848 20.461 1.00 20.55 C ATOM 2396 O HIS A 982 -1.313 -5.195 20.547 1.00 21.42 O ATOM 2397 CB HIS A 982 -1.742 -7.025 18.331 1.00 11.05 C ATOM 2398 CG HIS A 982 -2.036 -7.120 16.871 1.00 12.99 C ATOM 2399 ND1 HIS A 982 -3.047 -7.923 16.394 1.00 14.89 N ATOM 2400 CD2 HIS A 982 -1.480 -6.450 15.832 1.00 14.92 C ATOM 2401 CE1 HIS A 982 -3.059 -7.750 15.080 1.00 14.64 C ATOM 2402 NE2 HIS A 982 -2.132 -6.877 14.693 1.00 14.35 N ATOM 2403 H HIS A 982 -2.661 -4.326 18.343 1.00 0.00 H ATOM 2404 N ARG A 983 -3.166 -6.076 21.482 1.00 19.60 N ATOM 2405 CA ARG A 983 -2.872 -5.682 22.853 1.00 21.93 C ATOM 2406 C ARG A 983 -1.505 -6.245 23.274 1.00 28.22 C ATOM 2407 O ARG A 983 -1.195 -7.410 22.980 1.00 27.62 O ATOM 2408 CB ARG A 983 -3.979 -6.178 23.801 1.00 26.06 C ATOM 2409 CG ARG A 983 -5.270 -5.363 23.734 1.00 45.02 C ATOM 2410 CD ARG A 983 -6.432 -6.140 24.332 1.00 63.96 C ATOM 2411 NE ARG A 983 -7.709 -5.439 24.175 1.00 78.07 N ATOM 2412 CZ ARG A 983 -8.366 -4.839 25.164 1.00 98.25 C ATOM 2413 NH1 ARG A 983 -9.517 -4.225 24.928 1.00 87.47 N ATOM 2414 NH2 ARG A 983 -7.879 -4.855 26.400 1.00 88.63 N ATOM 2415 HE ARG A 983 -8.131 -5.408 23.225 1.00 0.00 H ATOM 2416 HH12 ARG A 983 -10.026 -3.758 25.705 1.00 0.00 H ATOM 2417 HH11 ARG A 983 -9.911 -4.211 23.966 1.00 0.00 H ATOM 2418 HH22 ARG A 983 -8.397 -4.384 27.169 1.00 0.00 H ATOM 2419 HH21 ARG A 983 -6.980 -5.338 26.598 1.00 0.00 H ATOM 2420 H ARG A 983 -4.064 -6.565 21.295 1.00 0.00 H ATOM 2421 N LYS A 984 -0.680 -5.386 23.918 1.00 25.34 N ATOM 2422 CA LYS A 984 0.669 -5.717 24.401 1.00 45.46 C ATOM 2423 C LYS A 984 0.616 -6.749 25.527 1.00 78.72 C ATOM 2424 O LYS A 984 1.587 -7.471 25.741 1.00 52.59 O ATOM 2425 CB LYS A 984 1.414 -4.458 24.883 1.00 47.33 C ATOM 2426 CG LYS A 984 1.560 -3.343 23.839 1.00 60.10 C ATOM 2427 CD LYS A 984 2.594 -2.254 24.230 1.00 66.92 C ATOM 2428 CE LYS A 984 2.298 -1.470 25.498 1.00 71.63 C ATOM 2429 NZ LYS A 984 0.986 -0.771 25.451 1.00 77.61 N ATOM 2430 HZ1 LYS A 984 0.979 -0.102 24.655 1.00 0.00 H ATOM 2431 HZ2 LYS A 984 0.226 -1.470 25.325 1.00 0.00 H ATOM 2432 HZ3 LYS A 984 0.838 -0.254 26.341 1.00 0.00 H ATOM 2433 H LYS A 984 -1.026 -4.419 24.084 1.00 0.00 H TER 2434 LYS A 984 HETATM 2435 O HOH 1 7.810 2.397 19.732 1.00 30.75 O HETATM 2436 O HOH 2 1.184 -4.452 20.110 1.00 20.68 O HETATM 2437 O HOH 3 0.416 -0.585 -1.990 1.00 22.31 O HETATM 2438 O HOH 4 28.499 18.467 18.741 1.00 25.24 O HETATM 2439 O HOH 5 2.867 13.302 4.472 1.00 25.70 O HETATM 2440 O HOH 6 -3.779 15.556 14.664 1.00 16.11 O HETATM 2441 O HOH 7 -3.431 8.818 17.822 1.00 39.94 O HETATM 2442 O HOH 8 6.331 15.610 31.031 1.00 15.33 O HETATM 2443 O HOH 9 -2.547 1.019 16.959 1.00 19.52 O HETATM 2444 O HOH 10 -19.046 7.316 10.393 1.00 22.60 O HETATM 2445 O HOH 11 -17.502 10.359 16.134 1.00 23.15 O HETATM 2446 O HOH 12 0.802 -7.547 14.102 1.00 26.23 O HETATM 2447 O HOH 13 15.105 17.678 -0.668 1.00 24.15 O HETATM 2448 O HOH 14 -3.850 15.522 34.688 1.00 48.24 O HETATM 2449 O HOH 15 15.142 28.267 6.392 1.00 16.52 O HETATM 2450 O HOH 16 6.294 -4.422 11.511 1.00 22.87 O HETATM 2451 O HOH 17 10.614 11.430 26.924 1.00 20.97 O HETATM 2452 O HOH 18 -3.615 9.937 4.633 1.00 18.99 O HETATM 2453 O HOH 19 -6.901 9.866 17.687 1.00 9.63 O HETATM 2454 O HOH 20 5.580 15.909 10.455 1.00 7.49 O HETATM 2455 O HOH 21 -7.782 -0.438 -0.402 1.00 31.87 O HETATM 2456 O HOH 22 18.326 21.459 4.513 1.00 31.93 O HETATM 2457 O HOH 23 7.944 19.748 6.508 1.00 15.54 O HETATM 2458 O HOH 24 3.481 18.635 5.912 1.00 20.64 O HETATM 2459 O HOH 25 17.193 19.510 1.647 1.00 34.64 O HETATM 2460 O HOH 26 -1.063 6.493 17.705 1.00 27.89 O HETATM 2461 O HOH 27 -8.099 19.399 29.472 1.00 29.67 O HETATM 2462 O HOH 28 -3.607 11.636 2.558 1.00 11.02 O HETATM 2463 O HOH 29 -13.439 1.477 19.640 1.00 31.34 O HETATM 2464 O HOH 30 -21.841 16.187 8.612 1.00 30.36 O HETATM 2465 O HOH 31 0.257 -3.067 -0.918 1.00 29.67 O HETATM 2466 O HOH 32 5.215 24.788 -0.241 1.00 39.03 O HETATM 2467 O HOH 33 -6.864 -6.243 15.625 1.00 54.91 O HETATM 2468 O HOH 34 5.136 -1.473 21.266 1.00 39.60 O HETATM 2469 O HOH 35 3.865 -3.382 17.799 1.00 23.45 O HETATM 2470 O HOH 36 -15.171 14.050 21.956 1.00 20.99 O HETATM 2471 O HOH 37 -13.090 10.077 28.947 1.00 34.86 O HETATM 2472 O HOH 38 0.406 25.451 7.077 1.00 23.24 O HETATM 2473 O HOH 39 9.771 30.472 17.448 1.00 37.90 O HETATM 2474 O HOH 40 3.241 15.646 0.602 1.00 26.19 O HETATM 2475 O HOH 41 15.562 8.753 9.285 1.00 43.01 O HETATM 2476 O HOH 42 -0.588 11.578 19.298 1.00 20.66 O HETATM 2477 O HOH 43 14.461 1.579 0.256 1.00 30.20 O HETATM 2478 O HOH 44 -17.240 20.006 11.552 1.00 46.01 O HETATM 2479 O HOH 45 11.153 3.461 18.003 1.00 27.28 O HETATM 2480 O HOH 46 -14.955 14.787 5.350 1.00 21.49 O HETATM 2481 O HOH 47 -10.033 21.418 3.343 1.00 22.53 O HETATM 2482 O HOH 48 5.618 19.018 7.417 1.00 32.85 O HETATM 2483 O HOH 49 22.937 14.116 23.472 1.00 26.38 O HETATM 2484 O HOH 50 4.058 13.833 31.347 1.00 24.28 O HETATM 2485 O HOH 51 13.472 31.186 18.811 1.00 39.05 O HETATM 2486 O HOH 52 3.654 28.097 13.630 1.00 16.30 O HETATM 2487 O HOH 53 -0.692 13.970 20.332 1.00 25.91 O HETATM 2488 O HOH 54 -1.067 3.766 16.853 1.00 38.91 O HETATM 2489 O HOH 55 -17.350 11.947 3.689 1.00 33.60 O HETATM 2490 O HOH 56 7.993 24.827 -2.641 1.00 29.08 O HETATM 2491 O HOH 57 4.833 14.960 5.284 1.00 21.31 O HETATM 2492 O HOH 58 -8.537 -2.263 17.324 1.00 45.42 O HETATM 2493 O HOH 59 -3.542 29.667 22.019 1.00 33.05 O HETATM 2494 O HOH 60 -2.674 12.223 22.957 1.00 16.06 O HETATM 2495 O HOH 61 -9.761 -4.711 22.167 1.00 45.08 O HETATM 2496 O HOH 62 15.325 29.545 13.353 1.00 34.25 O HETATM 2497 O HOH 63 7.834 28.320 18.082 1.00 22.09 O HETATM 2498 O HOH 64 -1.748 -2.887 24.670 1.00 30.36 O HETATM 2499 O HOH 65 5.873 30.321 23.651 1.00 18.91 O HETATM 2500 O HOH 66 -1.823 16.126 6.652 1.00 33.55 O HETATM 2501 O HOH 67 -3.093 8.549 29.038 1.00 33.60 O HETATM 2502 O HOH 68 -11.305 13.707 26.368 1.00 29.64 O HETATM 2503 O HOH 69 -20.387 1.222 14.346 1.00 26.03 O HETATM 2504 O HOH 70 1.320 -5.083 17.545 1.00 25.56 O HETATM 2505 O HOH 71 -1.708 17.198 34.571 1.00 35.29 O HETATM 2506 O HOH 72 2.191 -10.926 2.952 1.00 37.47 O HETATM 2507 O HOH 73 -5.206 8.790 -6.889 1.00 24.62 O HETATM 2508 O HOH 74 -21.585 7.348 21.563 1.00 31.49 O HETATM 2509 O HOH 75 18.690 12.100 24.788 1.00 26.86 O HETATM 2510 O HOH 76 -5.432 18.669 1.902 1.00 21.54 O HETATM 2511 O HOH 77 -3.718 19.929 3.802 1.00 17.33 O HETATM 2512 O HOH 78 18.660 2.927 5.048 1.00 34.97 O HETATM 2513 O HOH 79 5.083 12.125 -0.314 1.00 25.51 O HETATM 2514 O HOH 80 4.747 4.101 -3.289 1.00 20.50 O HETATM 2515 O HOH 81 -22.681 6.055 19.261 1.00 37.64 O HETATM 2516 O HOH 82 13.722 6.107 -0.692 1.00 28.03 O HETATM 2517 O HOH 83 -7.187 -4.646 20.971 1.00 51.42 O HETATM 2518 O HOH 84 23.537 27.281 12.951 1.00 36.94 O HETATM 2519 O HOH 85 21.275 10.733 10.773 1.00 32.90 O HETATM 2520 O HOH 86 24.047 21.796 13.030 1.00 31.04 O HETATM 2521 O HOH 87 7.285 15.348 1.198 1.00 33.52 O HETATM 2522 O HOH 88 -20.303 17.108 11.570 1.00 30.48 O HETATM 2523 O HOH 89 -5.707 -7.339 20.662 1.00 27.46 O HETATM 2524 O HOH 90 -22.660 7.306 16.654 1.00 18.10 O HETATM 2525 O HOH 91 -11.135 8.261 -5.937 1.00 30.11 O HETATM 2526 O HOH 92 -13.600 18.160 22.057 1.00 21.69 O HETATM 2527 O HOH 93 2.112 18.960 14.086 1.00 20.17 O HETATM 2528 O HOH 94 7.374 19.291 3.885 1.00 28.16 O HETATM 2529 O HOH 95 10.496 18.167 0.021 1.00 17.95 O HETATM 2530 O HOH 96 -0.323 29.195 15.690 1.00 8.55 O HETATM 2531 O HOH 97 6.434 -3.165 -1.062 1.00 28.93 O HETATM 2532 O HOH 98 3.514 -10.983 9.846 1.00 35.43 O HETATM 2533 O HOH 99 26.378 15.258 12.204 1.00 15.52 O HETATM 2534 O HOH 100 11.938 10.885 -3.559 1.00 38.46 O HETATM 2535 O HOH 101 -6.652 -1.225 22.686 1.00 32.67 O HETATM 2536 O HOH 102 25.602 20.228 11.439 1.00 32.83 O HETATM 2537 O HOH 103 19.098 21.434 7.100 1.00 20.38 O HETATM 2538 O HOH 104 16.183 -1.238 7.311 1.00 32.56 O HETATM 2539 O HOH 105 0.840 18.227 8.063 1.00 34.08 O HETATM 2540 O HOH 106 5.941 26.806 4.142 1.00 22.16 O HETATM 2541 O HOH 107 -1.748 22.418 2.637 1.00 34.68 O HETATM 2542 O HOH 108 -8.112 15.886 33.158 1.00 34.22 O HETATM 2543 O HOH 109 0.358 9.256 25.464 1.00 30.60 O HETATM 2544 O HOH 110 20.377 15.077 23.492 1.00 29.34 O HETATM 2545 O HOH 111 0.515 16.893 12.925 1.00 22.03 O HETATM 2546 O HOH 112 19.070 27.973 15.233 1.00 36.59 O HETATM 2547 O HOH 113 2.526 10.857 27.390 1.00 30.64 O HETATM 2548 O HOH 114 15.987 12.327 24.239 1.00 26.65 O HETATM 2549 O HOH 115 28.282 21.189 19.298 1.00 41.64 O HETATM 2550 O HOH 116 5.004 10.418 -2.403 1.00 43.09 O HETATM 2551 O HOH 117 0.943 27.925 13.504 1.00 24.65 O HETATM 2552 O HOH 118 7.810 -8.094 12.137 1.00 49.56 O HETATM 2553 O HOH 119 3.993 -9.397 12.460 1.00 33.03 O HETATM 2554 O HOH 120 6.094 29.982 16.897 1.00 50.61 O HETATM 2555 O HOH 121 8.891 17.779 2.208 1.00 30.06 O HETATM 2556 O HOH 122 5.613 26.867 1.472 1.00 33.35 O HETATM 2557 O HOH 123 2.761 16.256 7.052 1.00 34.22 O HETATM 2558 O HOH 124 11.479 17.295 -3.125 1.00 39.00 O HETATM 2559 O HOH 125 3.432 11.725 29.787 1.00 33.16 O HETATM 2560 O HOH 126 -1.680 31.409 22.854 1.00 18.16 O HETATM 2561 O HOH 127 2.801 13.599 -1.140 1.00 53.24 O HETATM 2562 O HOH 128 -0.914 -9.983 28.515 1.00 35.16 O HETATM 2563 O HOH 129 -1.906 9.774 23.986 1.00 23.56 O HETATM 2564 O HOH 130 18.435 16.370 2.245 1.00 34.93 O HETATM 2565 C1 ECV A 131 7.668 19.696 13.472 1.00 0.02 C HETATM 2566 N2 ECV A 131 7.900 18.372 13.950 1.00 -0.29 N HETATM 2567 C3 ECV A 131 7.792 17.302 13.131 1.00 0.18 C HETATM 2568 O4 ECV A 131 7.762 17.368 11.910 1.00 -0.40 O HETATM 2569 C5 ECV A 131 7.790 15.983 13.849 1.00 0.07 C HETATM 2570 C6 ECV A 131 7.300 15.980 15.290 1.00 0.11 C HETATM 2571 C7 ECV A 131 6.858 14.592 15.686 1.00 0.10 C HETATM 2572 O8 ECV A 131 7.925 13.641 15.639 1.00 -0.32 O HETATM 2573 C9 ECV A 131 9.118 14.131 16.194 1.00 0.11 C HETATM 2574 C10 ECV A 131 10.122 13.191 16.361 1.00 -0.01 C HETATM 2575 C11 ECV A 131 11.329 13.620 16.869 1.00 0.11 C HETATM 2576 C13 ECV A 131 11.546 14.945 17.194 1.00 -0.05 C HETATM 2577 C14 ECV A 131 10.542 15.878 17.032 1.00 -0.05 C HETATM 2578 C15 ECV A 131 9.311 15.466 16.542 1.00 0.10 C HETATM 2579 N16 ECV A 131 8.257 16.394 16.318 1.00 -0.22 N HETATM 2580 C17 ECV A 131 7.847 17.440 17.163 1.00 0.22 C HETATM 2581 C19 ECV A 131 8.196 17.526 18.607 1.00 0.03 C HETATM 2582 C20 ECV A 131 8.231 16.443 19.473 1.00 -0.07 C HETATM 2583 C21 ECV A 131 8.575 16.637 20.807 1.00 -0.04 C HETATM 2584 C22 ECV A 131 8.874 17.917 21.252 1.00 0.12 C HETATM 2585 O23 ECV A 131 9.178 18.142 22.588 1.00 -0.30 O HETATM 2586 C24 ECV A 131 10.070 19.254 22.763 1.00 0.16 C HETATM 2587 C25 ECV A 131 9.552 20.509 22.125 1.00 0.23 C HETATM 2588 O26 ECV A 131 9.609 21.608 22.669 1.00 -0.38 O HETATM 2589 N27 ECV A 131 9.073 20.282 20.859 1.00 -0.23 N HETATM 2590 C28 ECV A 131 8.808 18.991 20.390 1.00 0.10 C HETATM 2591 C29 ECV A 131 8.492 18.798 19.063 1.00 -0.03 C HETATM 2592 H18 ECV A 131 8.475 19.639 18.379 1.00 0.05 H HETATM 2593 H17 ECV A 131 8.909 21.062 20.255 1.00 0.22 H HETATM 2594 H11 ECV A 131 11.041 19.003 22.311 1.00 0.09 H HETATM 2595 H12 ECV A 131 10.203 19.434 23.840 1.00 0.09 H HETATM 2596 H10 ECV A 131 8.609 15.797 21.492 1.00 0.05 H HETATM 2597 H9 ECV A 131 7.991 15.450 19.112 1.00 0.05 H HETATM 2598 O18 ECV A 131 7.173 18.373 16.749 1.00 -0.38 O HETATM 2599 H8 ECV A 131 10.713 16.918 17.284 1.00 0.05 H HETATM 2600 H7 ECV A 131 12.511 15.254 17.579 1.00 0.05 H HETATM 2601 F12 ECV A 131 12.303 12.717 17.028 1.00 -0.20 F HETATM 2602 H6 ECV A 131 9.963 12.151 16.100 1.00 0.05 H HETATM 2603 H4 ECV A 131 6.064 14.265 14.998 1.00 0.06 H HETATM 2604 H5 ECV A 131 6.463 14.627 16.712 1.00 0.06 H HETATM 2605 H16 ECV A 131 6.438 16.662 15.337 1.00 0.07 H HETATM 2606 H14 ECV A 131 8.823 15.604 13.849 1.00 0.05 H HETATM 2607 H15 ECV A 131 7.147 15.296 13.279 1.00 0.05 H HETATM 2608 H13 ECV A 131 8.147 18.233 14.909 1.00 0.18 H HETATM 2609 H1 ECV A 131 7.808 20.413 14.295 1.00 0.05 H HETATM 2610 H2 ECV A 131 6.639 19.773 13.089 1.00 0.05 H HETATM 2611 H3 ECV A 131 8.378 19.924 12.663 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 30 31 37 38 39 CONECT 37 30 CONECT 38 30 CONECT 39 30 CONECT 1745 1746 1752 1753 1754 CONECT 1752 1745 CONECT 1753 1745 CONECT 1754 1745 CONECT 2565 2566 2609 2610 2611 CONECT 2566 2565 2567 2608 CONECT 2567 2566 2568 2569 CONECT 2568 2567 CONECT 2569 2567 2570 2606 2607 CONECT 2570 2569 2571 2579 2605 CONECT 2571 2570 2572 2603 2604 CONECT 2572 2571 2573 CONECT 2573 2572 2574 2578 CONECT 2574 2573 2575 2602 CONECT 2575 2574 2576 2601 CONECT 2576 2575 2577 2600 CONECT 2577 2576 2578 2599 CONECT 2578 2573 2577 2579 CONECT 2579 2570 2578 2580 CONECT 2580 2579 2581 2598 CONECT 2581 2580 2582 2591 CONECT 2582 2581 2583 2597 CONECT 2583 2582 2584 2596 CONECT 2584 2583 2585 2590 CONECT 2585 2584 2586 CONECT 2586 2585 2587 2594 2595 CONECT 2587 2586 2588 2589 CONECT 2588 2587 CONECT 2589 2587 2590 2593 CONECT 2590 2584 2589 2591 CONECT 2591 2581 2590 2592 CONECT 2592 2591 CONECT 2593 2589 CONECT 2594 2586 CONECT 2595 2586 CONECT 2596 2583 CONECT 2597 2582 CONECT 2598 2580 CONECT 2599 2577 CONECT 2600 2576 CONECT 2601 2575 CONECT 2602 2574 CONECT 2603 2571 CONECT 2604 2571 CONECT 2605 2570 CONECT 2606 2569 CONECT 2607 2569 CONECT 2608 2566 CONECT 2609 2565 CONECT 2610 2565 CONECT 2611 2565 MASTER 0 0 0 0 0 0 0 0 2608 3 59 21 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mwp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Mineralocorticoid receptor
Ligand Name
ECV
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Ki=31.6nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) PLoS ONE Vol. 13: pp. e0193380-e0193380
Ligand Properties
Formula
C
2
0
H
1
8
FN
3
O
5
Molecular Weight
399.372
Exact Mass
399.123
No. of atoms
47
No. of bonds
50
Polar Surface Area
96.97
LOGP Value
1.05 (
Computed with XLOGP3
)
2.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F
InChI String
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/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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