Browse entries in the PDBbind-CN Database
HEADER 6GEV_COMPLEX COMPND 6GEV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 TYR PHE SEQRES 1 A 213 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 213 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 213 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 213 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 213 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 213 ILE GLN TYR SER TRP MET SER LEU LEU SER PHE ALA LEU SEQRES 7 A 213 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 213 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 213 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 213 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 213 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 213 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 213 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 213 MET VAL THR LYS SER PRO ASN ASN SER GLY GLN SER TRP SEQRES 15 A 213 GLN ARG PHE TYR GLN LEU THR LYS LEU LEU ASP SER MET SEQRES 16 A 213 HIS ASP LEU VAL SER ASP LEU LEU GLU PHE CYS PHE TYR SEQRES 17 A 213 THR PHE ARG GLU SER SEQRES 1 A 32 LYS VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SER SEQRES 2 A 32 ASP GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS PRO SEQRES 3 A 32 LEU TYR PHE HIS ARG LYS HET EWN A 458 49 ATOM 1 N TYR A 731 -20.509 2.126 2.746 1.00 36.99 N ATOM 2 CA TYR A 731 -19.923 3.256 3.474 1.00 35.34 C ATOM 3 C TYR A 731 -19.212 4.260 2.564 1.00 38.67 C ATOM 4 O TYR A 731 -19.309 5.468 2.796 1.00 38.94 O ATOM 5 CB TYR A 731 -18.994 2.746 4.588 1.00 34.88 C ATOM 6 CG TYR A 731 -18.296 3.834 5.364 1.00 33.37 C ATOM 7 CD1 TYR A 731 -18.944 4.505 6.399 1.00 34.31 C ATOM 8 CD2 TYR A 731 -16.968 4.158 5.104 1.00 33.35 C ATOM 9 CE1 TYR A 731 -18.296 5.493 7.135 1.00 33.56 C ATOM 10 CE2 TYR A 731 -16.304 5.135 5.843 1.00 33.16 C ATOM 11 CZ TYR A 731 -16.973 5.797 6.853 1.00 36.51 C ATOM 12 OH TYR A 731 -16.315 6.773 7.536 1.00 37.06 O ATOM 13 HH TYR A 731 -16.916 7.155 8.224 1.00 0.00 H ATOM 14 HN3 TYR A 731 -19.758 1.614 2.241 1.00 0.00 H ATOM 15 HN2 TYR A 731 -21.209 2.481 2.063 1.00 0.00 H ATOM 16 HN1 TYR A 731 -20.974 1.485 3.420 1.00 0.00 H ATOM 17 N PHE A 732 -18.484 3.769 1.549 1.00 34.61 N ATOM 18 CA PHE A 732 -17.745 4.625 0.616 1.00 34.35 C ATOM 19 C PHE A 732 -18.506 4.766 -0.698 1.00 79.08 C ATOM 20 O PHE A 732 -18.142 5.589 -1.534 1.00 50.94 O ATOM 21 CB PHE A 732 -16.329 4.079 0.358 1.00 34.49 C ATOM 22 CG PHE A 732 -15.374 4.115 1.530 1.00 34.35 C ATOM 23 CD1 PHE A 732 -14.907 5.325 2.034 1.00 36.19 C ATOM 24 CD2 PHE A 732 -14.885 2.939 2.084 1.00 35.48 C ATOM 25 CE1 PHE A 732 -14.003 5.357 3.102 1.00 36.24 C ATOM 26 CE2 PHE A 732 -13.959 2.971 3.134 1.00 37.44 C ATOM 27 CZ PHE A 732 -13.511 4.181 3.625 1.00 35.17 C ATOM 28 H PHE A 732 -18.442 2.738 1.419 1.00 0.00 H TER 29 PHE A 732 ATOM 30 N SER A 737 -12.967 5.320 -5.176 1.00 39.80 N ATOM 31 CA SER A 737 -11.732 4.754 -4.626 1.00 37.87 C ATOM 32 C SER A 737 -11.199 5.667 -3.507 1.00 35.34 C ATOM 33 O SER A 737 -10.524 6.665 -3.810 1.00 33.06 O ATOM 34 CB SER A 737 -10.688 4.560 -5.722 1.00 43.03 C ATOM 35 OG SER A 737 -9.476 4.061 -5.174 1.00 52.30 O ATOM 36 HG SER A 737 -9.647 3.190 -4.735 1.00 0.00 H ATOM 37 HN3 SER A 737 -12.771 6.265 -5.564 1.00 0.00 H ATOM 38 HN2 SER A 737 -13.679 5.394 -4.421 1.00 0.00 H ATOM 39 HN1 SER A 737 -13.324 4.701 -5.931 1.00 0.00 H ATOM 40 N PRO A 738 -11.511 5.363 -2.219 1.00 29.70 N ATOM 41 CA PRO A 738 -11.079 6.256 -1.124 1.00 27.76 C ATOM 42 C PRO A 738 -9.572 6.382 -0.958 1.00 26.12 C ATOM 43 O PRO A 738 -9.094 7.450 -0.582 1.00 24.13 O ATOM 44 CB PRO A 738 -11.754 5.665 0.118 1.00 30.33 C ATOM 45 CG PRO A 738 -12.048 4.255 -0.234 1.00 35.43 C ATOM 46 CD PRO A 738 -12.337 4.251 -1.702 1.00 31.98 C ATOM 47 N VAL A 739 -8.806 5.329 -1.301 1.00 24.76 N ATOM 48 CA VAL A 739 -7.348 5.444 -1.213 1.00 24.23 C ATOM 49 C VAL A 739 -6.829 6.405 -2.288 1.00 25.71 C ATOM 50 O VAL A 739 -5.867 7.121 -2.036 1.00 24.34 O ATOM 51 CB VAL A 739 -6.611 4.083 -1.257 1.00 29.53 C ATOM 52 CG1 VAL A 739 -5.134 4.263 -0.884 1.00 29.43 C ATOM 53 CG2 VAL A 739 -7.282 3.084 -0.317 1.00 30.09 C ATOM 54 H VAL A 739 -9.245 4.443 -1.625 1.00 0.00 H ATOM 55 N MET A 740 -7.481 6.442 -3.479 1.00 23.25 N ATOM 56 CA MET A 740 -7.063 7.376 -4.520 1.00 23.68 C ATOM 57 C MET A 740 -7.371 8.809 -4.052 1.00 21.79 C ATOM 58 O MET A 740 -6.564 9.704 -4.283 1.00 20.09 O ATOM 59 CB MET A 740 -7.679 7.053 -5.878 1.00 28.02 C ATOM 60 CG MET A 740 -7.055 7.834 -7.025 1.00 33.58 C ATOM 61 SD MET A 740 -5.241 8.161 -7.025 1.00 39.72 S ATOM 62 CE MET A 740 -4.611 6.564 -7.538 1.00 37.42 C ATOM 63 H MET A 740 -8.282 5.801 -3.650 1.00 0.00 H ATOM 64 N VAL A 741 -8.471 8.990 -3.295 1.00 18.15 N ATOM 65 CA VAL A 741 -8.721 10.311 -2.694 1.00 16.74 C ATOM 66 C VAL A 741 -7.572 10.664 -1.712 1.00 18.19 C ATOM 67 O VAL A 741 -7.009 11.756 -1.790 1.00 17.48 O ATOM 68 CB VAL A 741 -10.104 10.401 -1.989 1.00 19.86 C ATOM 69 CG1 VAL A 741 -10.234 11.708 -1.204 1.00 18.85 C ATOM 70 CG2 VAL A 741 -11.237 10.270 -3.000 1.00 20.69 C ATOM 71 H VAL A 741 -9.136 8.206 -3.137 1.00 0.00 H ATOM 72 N LEU A 742 -7.205 9.718 -0.818 1.00 16.93 N ATOM 73 CA LEU A 742 -6.122 9.979 0.145 1.00 15.85 C ATOM 74 C LEU A 742 -4.821 10.408 -0.530 1.00 17.85 C ATOM 75 O LEU A 742 -4.155 11.341 -0.065 1.00 17.50 O ATOM 76 CB LEU A 742 -5.834 8.721 0.997 1.00 15.70 C ATOM 77 CG LEU A 742 -6.988 8.106 1.773 1.00 18.04 C ATOM 78 CD1 LEU A 742 -6.472 6.931 2.640 1.00 19.73 C ATOM 79 CD2 LEU A 742 -7.682 9.149 2.664 1.00 19.73 C ATOM 80 H LEU A 742 -7.692 8.799 -0.811 1.00 0.00 H ATOM 81 N GLU A 743 -4.474 9.767 -1.664 1.00 17.18 N ATOM 82 CA GLU A 743 -3.243 10.134 -2.377 1.00 17.39 C ATOM 83 C GLU A 743 -3.300 11.570 -2.869 1.00 21.93 C ATOM 84 O GLU A 743 -2.313 12.298 -2.781 1.00 23.34 O ATOM 85 CB GLU A 743 -3.018 9.183 -3.563 1.00 19.68 C ATOM 86 CG GLU A 743 -2.745 7.748 -3.125 1.00 26.58 C ATOM 87 CD GLU A 743 -2.276 6.850 -4.254 1.00 53.03 C ATOM 88 OE1 GLU A 743 -2.994 5.876 -4.573 1.00 46.71 O ATOM 89 OE2 GLU A 743 -1.206 7.136 -4.840 1.00 48.60 O ATOM 90 H GLU A 743 -5.081 9.009 -2.036 1.00 0.00 H ATOM 91 N ASN A 744 -4.499 12.024 -3.302 1.00 18.28 N ATOM 92 CA ASN A 744 -4.651 13.360 -3.858 1.00 17.30 C ATOM 93 C ASN A 744 -4.843 14.464 -2.845 1.00 21.05 C ATOM 94 O ASN A 744 -4.633 15.629 -3.184 1.00 24.17 O ATOM 95 CB ASN A 744 -5.807 13.379 -4.851 1.00 16.70 C ATOM 96 CG ASN A 744 -5.515 12.591 -6.083 1.00 26.75 C ATOM 97 OD1 ASN A 744 -4.416 12.698 -6.638 1.00 28.11 O ATOM 98 ND2 ASN A 744 -6.489 11.802 -6.549 1.00 25.53 N ATOM 99 HD22 ASN A 744 -7.398 11.745 -6.046 1.00 0.00 H ATOM 100 HD21 ASN A 744 -6.338 11.245 -7.414 1.00 0.00 H ATOM 101 H ASN A 744 -5.331 11.404 -3.236 1.00 0.00 H ATOM 102 N ILE A 745 -5.228 14.128 -1.625 1.00 15.76 N ATOM 103 CA ILE A 745 -5.443 15.174 -0.620 1.00 15.31 C ATOM 104 C ILE A 745 -4.285 15.339 0.353 1.00 19.50 C ATOM 105 O ILE A 745 -4.355 16.156 1.287 1.00 18.69 O ATOM 106 CB ILE A 745 -6.781 14.965 0.138 1.00 17.27 C ATOM 107 CG1 ILE A 745 -6.756 13.659 1.000 1.00 16.75 C ATOM 108 CG2 ILE A 745 -8.003 15.058 -0.804 1.00 18.70 C ATOM 109 CD1 ILE A 745 -7.911 13.594 2.077 1.00 17.97 C ATOM 110 H ILE A 745 -5.377 13.128 -1.380 1.00 0.00 H ATOM 111 N GLU A 746 -3.215 14.584 0.150 1.00 19.37 N ATOM 112 CA GLU A 746 -2.066 14.675 1.027 1.00 20.12 C ATOM 113 C GLU A 746 -1.441 16.074 0.945 1.00 23.04 C ATOM 114 O GLU A 746 -1.221 16.603 -0.147 1.00 21.87 O ATOM 115 CB GLU A 746 -1.052 13.579 0.649 1.00 21.45 C ATOM 116 CG GLU A 746 0.121 13.462 1.621 1.00 29.40 C ATOM 117 CD GLU A 746 -0.251 13.209 3.073 1.00 40.65 C ATOM 118 OE1 GLU A 746 0.480 13.688 3.971 1.00 33.16 O ATOM 119 OE2 GLU A 746 -1.297 12.572 3.320 1.00 26.12 O ATOM 120 H GLU A 746 -3.200 13.918 -0.649 1.00 0.00 H ATOM 121 N PRO A 747 -1.270 16.744 2.105 1.00 21.87 N ATOM 122 CA PRO A 747 -0.698 18.105 2.085 1.00 23.09 C ATOM 123 C PRO A 747 0.684 18.165 1.440 1.00 25.23 C ATOM 124 O PRO A 747 1.443 17.198 1.502 1.00 25.77 O ATOM 125 CB PRO A 747 -0.605 18.468 3.566 1.00 25.27 C ATOM 126 CG PRO A 747 -1.682 17.627 4.224 1.00 29.31 C ATOM 127 CD PRO A 747 -1.590 16.317 3.486 1.00 24.88 C ATOM 128 N GLU A 748 0.983 19.305 0.832 1.00 22.97 N ATOM 129 CA GLU A 748 2.279 19.574 0.215 1.00 23.79 C ATOM 130 C GLU A 748 3.311 19.755 1.327 1.00 27.11 C ATOM 131 O GLU A 748 2.976 20.103 2.463 1.00 24.56 O ATOM 132 CB GLU A 748 2.235 20.870 -0.608 1.00 26.01 C ATOM 133 CG GLU A 748 1.188 20.923 -1.717 1.00 45.68 C ATOM 134 CD GLU A 748 1.605 20.432 -3.089 1.00 70.09 C ATOM 135 OE1 GLU A 748 1.127 19.351 -3.504 1.00 62.93 O ATOM 136 OE2 GLU A 748 2.390 21.140 -3.760 1.00 65.49 O ATOM 137 H GLU A 748 0.256 20.047 0.792 1.00 0.00 H ATOM 138 N ILE A 749 4.573 19.539 0.990 1.00 25.37 N ATOM 139 CA ILE A 749 5.655 19.726 1.953 1.00 25.97 C ATOM 140 C ILE A 749 5.747 21.209 2.364 1.00 25.37 C ATOM 141 O ILE A 749 5.473 22.094 1.567 1.00 27.14 O ATOM 142 CB ILE A 749 6.972 19.189 1.299 1.00 31.16 C ATOM 143 CG1 ILE A 749 8.133 19.123 2.296 1.00 33.16 C ATOM 144 CG2 ILE A 749 7.355 19.963 0.033 1.00 35.42 C ATOM 145 CD1 ILE A 749 8.887 17.823 2.216 1.00 30.72 C ATOM 146 H ILE A 749 4.798 19.231 0.023 1.00 0.00 H ATOM 147 N VAL A 750 6.069 21.475 3.624 1.00 19.81 N ATOM 148 CA VAL A 750 6.253 22.837 4.110 1.00 19.68 C ATOM 149 C VAL A 750 7.649 23.069 4.663 1.00 20.01 C ATOM 150 O VAL A 750 8.309 22.121 5.144 1.00 18.90 O ATOM 151 CB VAL A 750 5.214 23.340 5.085 1.00 24.70 C ATOM 152 CG1 VAL A 750 3.831 23.458 4.431 1.00 25.31 C ATOM 153 CG2 VAL A 750 5.191 22.501 6.350 1.00 23.98 C ATOM 154 H VAL A 750 6.194 20.684 4.288 1.00 0.00 H ATOM 155 N TYR A 751 8.091 24.339 4.586 1.00 17.49 N ATOM 156 CA TYR A 751 9.414 24.702 5.085 1.00 16.46 C ATOM 157 C TYR A 751 9.354 24.976 6.575 1.00 20.12 C ATOM 158 O TYR A 751 8.338 25.465 7.086 1.00 20.78 O ATOM 159 CB TYR A 751 9.964 25.967 4.395 1.00 17.42 C ATOM 160 CG TYR A 751 10.123 25.820 2.902 1.00 19.09 C ATOM 161 CD1 TYR A 751 11.160 25.060 2.362 1.00 19.03 C ATOM 162 CD2 TYR A 751 9.302 26.518 2.030 1.00 21.99 C ATOM 163 CE1 TYR A 751 11.326 24.947 0.980 1.00 17.87 C ATOM 164 CE2 TYR A 751 9.464 26.426 0.650 1.00 24.28 C ATOM 165 CZ TYR A 751 10.465 25.625 0.130 1.00 25.18 C ATOM 166 OH TYR A 751 10.572 25.561 -1.236 1.00 25.08 O ATOM 167 HH TYR A 751 9.728 25.210 -1.616 1.00 0.00 H ATOM 168 H TYR A 751 7.482 25.070 4.166 1.00 0.00 H ATOM 169 N ALA A 752 10.475 24.738 7.249 1.00 18.93 N ATOM 170 CA ALA A 752 10.556 24.981 8.697 1.00 20.34 C ATOM 171 C ALA A 752 10.773 26.465 9.008 1.00 25.70 C ATOM 172 O ALA A 752 10.315 26.927 10.057 1.00 26.36 O ATOM 173 CB ALA A 752 11.695 24.166 9.291 1.00 21.84 C ATOM 174 H ALA A 752 11.308 24.374 6.744 1.00 0.00 H ATOM 175 N GLY A 753 11.468 27.176 8.117 1.00 20.92 N ATOM 176 CA GLY A 753 11.870 28.561 8.354 1.00 23.37 C ATOM 177 C GLY A 753 13.050 28.601 9.312 1.00 29.45 C ATOM 178 O GLY A 753 13.175 29.533 10.105 1.00 31.95 O ATOM 179 H GLY A 753 11.734 26.726 7.218 1.00 0.00 H ATOM 180 N TYR A 754 13.940 27.591 9.239 1.00 23.75 N ATOM 181 CA TYR A 754 15.136 27.428 10.061 1.00 23.36 C ATOM 182 C TYR A 754 16.154 28.512 9.738 1.00 28.79 C ATOM 183 O TYR A 754 16.490 28.691 8.568 1.00 26.56 O ATOM 184 CB TYR A 754 15.723 26.031 9.803 1.00 23.29 C ATOM 185 CG TYR A 754 17.080 25.807 10.413 1.00 24.27 C ATOM 186 CD1 TYR A 754 17.273 25.888 11.792 1.00 26.58 C ATOM 187 CD2 TYR A 754 18.181 25.509 9.615 1.00 25.08 C ATOM 188 CE1 TYR A 754 18.539 25.711 12.355 1.00 29.95 C ATOM 189 CE2 TYR A 754 19.437 25.297 10.169 1.00 26.33 C ATOM 190 CZ TYR A 754 19.613 25.404 11.536 1.00 35.14 C ATOM 191 OH TYR A 754 20.870 25.203 12.038 1.00 36.40 O ATOM 192 HH TYR A 754 20.852 25.309 13.022 1.00 0.00 H ATOM 193 H TYR A 754 13.757 26.855 8.527 1.00 0.00 H ATOM 194 N ASP A 755 16.610 29.253 10.767 1.00 25.55 N ATOM 195 CA ASP A 755 17.570 30.336 10.601 1.00 26.92 C ATOM 196 C ASP A 755 18.940 29.792 10.981 1.00 30.50 C ATOM 197 O ASP A 755 19.280 29.683 12.166 1.00 29.33 O ATOM 198 CB ASP A 755 17.155 31.570 11.430 1.00 29.27 C ATOM 199 CG ASP A 755 17.995 32.804 11.189 1.00 38.99 C ATOM 200 OD1 ASP A 755 19.186 32.655 10.874 1.00 40.19 O ATOM 201 OD2 ASP A 755 17.458 33.926 11.330 1.00 46.56 O ATOM 202 H ASP A 755 16.261 29.042 11.724 1.00 0.00 H ATOM 203 N SER A 756 19.715 29.394 9.959 1.00 29.51 N ATOM 204 CA SER A 756 21.031 28.790 10.139 1.00 29.38 C ATOM 205 C SER A 756 22.124 29.783 10.561 1.00 35.72 C ATOM 206 O SER A 756 23.244 29.356 10.845 1.00 36.56 O ATOM 207 CB SER A 756 21.443 28.023 8.884 1.00 32.66 C ATOM 208 OG SER A 756 21.512 28.874 7.755 1.00 37.14 O ATOM 209 HG SER A 756 21.781 28.347 6.962 1.00 0.00 H ATOM 210 H SER A 756 19.359 29.523 8.990 1.00 0.00 H ATOM 211 N SER A 757 21.802 31.099 10.603 1.00 32.40 N ATOM 212 CA SER A 757 22.741 32.136 11.025 1.00 34.84 C ATOM 213 C SER A 757 22.677 32.312 12.549 1.00 43.24 C ATOM 214 O SER A 757 23.617 32.851 13.133 1.00 45.28 O ATOM 215 CB SER A 757 22.439 33.451 10.312 1.00 37.31 C ATOM 216 OG SER A 757 21.349 34.128 10.916 1.00 38.58 O ATOM 217 HG SER A 757 20.543 33.555 10.875 1.00 0.00 H ATOM 218 H SER A 757 20.842 31.384 10.322 1.00 0.00 H ATOM 219 N LYS A 758 21.552 31.871 13.180 1.00 40.37 N ATOM 220 CA LYS A 758 21.331 31.935 14.628 1.00 40.12 C ATOM 221 C LYS A 758 21.992 30.727 15.304 1.00 45.12 C ATOM 222 O LYS A 758 22.105 29.678 14.660 1.00 45.38 O ATOM 223 CB LYS A 758 19.829 31.984 14.953 1.00 41.99 C ATOM 224 CG LYS A 758 19.259 33.397 14.875 1.00 62.63 C ATOM 225 CD LYS A 758 17.921 33.518 15.591 1.00 74.09 C ATOM 226 CE LYS A 758 17.467 34.957 15.666 1.00 85.87 C ATOM 227 NZ LYS A 758 16.226 35.108 16.470 1.00 94.52 N ATOM 228 HZ1 LYS A 758 15.464 34.548 16.037 1.00 0.00 H ATOM 229 HZ2 LYS A 758 16.399 34.770 17.438 1.00 0.00 H ATOM 230 HZ3 LYS A 758 15.950 36.111 16.495 1.00 0.00 H ATOM 231 H LYS A 758 20.798 31.460 12.593 1.00 0.00 H ATOM 232 N PRO A 759 22.453 30.825 16.577 1.00 42.46 N ATOM 233 CA PRO A 759 23.117 29.662 17.199 1.00 41.75 C ATOM 234 C PRO A 759 22.203 28.447 17.314 1.00 42.35 C ATOM 235 O PRO A 759 20.999 28.606 17.571 1.00 40.98 O ATOM 236 CB PRO A 759 23.546 30.191 18.575 1.00 44.65 C ATOM 237 CG PRO A 759 22.649 31.355 18.835 1.00 49.39 C ATOM 238 CD PRO A 759 22.448 31.986 17.493 1.00 44.89 C ATOM 239 N ASP A 760 22.766 27.237 17.087 1.00 36.70 N ATOM 240 CA ASP A 760 22.030 25.985 17.179 1.00 35.20 C ATOM 241 C ASP A 760 21.935 25.487 18.596 1.00 37.34 C ATOM 242 O ASP A 760 22.395 24.388 18.934 1.00 38.86 O ATOM 243 CB ASP A 760 22.569 24.921 16.223 1.00 36.11 C ATOM 244 CG ASP A 760 22.206 25.249 14.804 1.00 42.63 C ATOM 245 OD1 ASP A 760 21.030 25.627 14.567 1.00 38.86 O ATOM 246 OD2 ASP A 760 23.102 25.169 13.930 1.00 42.48 O ATOM 247 H ASP A 760 23.774 27.200 16.834 1.00 0.00 H ATOM 248 N THR A 761 21.335 26.323 19.435 1.00 30.13 N ATOM 249 CA THR A 761 21.077 25.975 20.815 1.00 27.93 C ATOM 250 C THR A 761 19.844 25.068 20.754 1.00 27.53 C ATOM 251 O THR A 761 19.128 25.049 19.736 1.00 25.74 O ATOM 252 CB THR A 761 20.765 27.240 21.624 1.00 31.48 C ATOM 253 OG1 THR A 761 19.633 27.892 21.023 1.00 27.83 O ATOM 254 CG2 THR A 761 21.968 28.200 21.724 1.00 32.92 C ATOM 255 HG1 THR A 761 19.417 28.712 21.533 1.00 0.00 H ATOM 256 H THR A 761 21.041 27.259 19.089 1.00 0.00 H ATOM 257 N ALA A 762 19.585 24.343 21.831 1.00 23.82 N ATOM 258 CA ALA A 762 18.407 23.486 21.921 1.00 23.77 C ATOM 259 C ALA A 762 17.175 24.376 21.868 1.00 25.20 C ATOM 260 O ALA A 762 16.186 23.989 21.259 1.00 23.60 O ATOM 261 CB ALA A 762 18.422 22.708 23.226 1.00 25.23 C ATOM 262 H ALA A 762 20.241 24.385 22.637 1.00 0.00 H ATOM 263 N GLU A 763 17.226 25.569 22.495 1.00 24.57 N ATOM 264 CA GLU A 763 16.063 26.470 22.502 1.00 25.05 C ATOM 265 C GLU A 763 15.683 26.924 21.099 1.00 27.15 C ATOM 266 O GLU A 763 14.487 26.923 20.778 1.00 25.02 O ATOM 267 CB GLU A 763 16.302 27.674 23.434 1.00 26.96 C ATOM 268 CG GLU A 763 16.693 27.269 24.845 1.00 40.77 C ATOM 269 CD GLU A 763 18.191 27.326 25.077 1.00 60.64 C ATOM 270 OE1 GLU A 763 18.646 28.274 25.758 1.00 73.12 O ATOM 271 OE2 GLU A 763 18.914 26.442 24.557 1.00 36.01 O ATOM 272 H GLU A 763 18.100 25.856 22.980 1.00 0.00 H ATOM 273 N ASN A 764 16.676 27.277 20.249 1.00 24.51 N ATOM 274 CA ASN A 764 16.437 27.702 18.873 1.00 24.16 C ATOM 275 C ASN A 764 15.954 26.561 17.989 1.00 25.07 C ATOM 276 O ASN A 764 15.008 26.752 17.202 1.00 23.47 O ATOM 277 CB ASN A 764 17.653 28.415 18.283 1.00 28.03 C ATOM 278 CG ASN A 764 17.924 29.734 18.976 1.00 46.03 C ATOM 279 OD1 ASN A 764 17.086 30.243 19.734 1.00 38.95 O ATOM 280 ND2 ASN A 764 19.105 30.321 18.743 1.00 36.47 N ATOM 281 HD22 ASN A 764 19.791 29.873 18.102 1.00 0.00 H ATOM 282 HD21 ASN A 764 19.336 31.225 19.203 1.00 0.00 H ATOM 283 H ASN A 764 17.657 27.244 20.593 1.00 0.00 H ATOM 284 N LEU A 765 16.557 25.361 18.145 1.00 20.99 N ATOM 285 CA LEU A 765 16.143 24.212 17.343 1.00 19.79 C ATOM 286 C LEU A 765 14.738 23.760 17.729 1.00 18.93 C ATOM 287 O LEU A 765 13.909 23.510 16.851 1.00 18.78 O ATOM 288 CB LEU A 765 17.119 23.029 17.490 1.00 21.17 C ATOM 289 CG LEU A 765 18.422 23.162 16.741 1.00 27.01 C ATOM 290 CD1 LEU A 765 19.348 22.029 17.127 1.00 26.89 C ATOM 291 CD2 LEU A 765 18.196 23.115 15.226 1.00 31.21 C ATOM 292 H LEU A 765 17.322 25.255 18.842 1.00 0.00 H ATOM 293 N LEU A 766 14.463 23.650 19.035 1.00 17.45 N ATOM 294 CA LEU A 766 13.117 23.218 19.465 1.00 16.47 C ATOM 295 C LEU A 766 12.064 24.247 19.105 1.00 18.90 C ATOM 296 O LEU A 766 10.971 23.858 18.693 1.00 18.49 O ATOM 297 CB LEU A 766 13.091 22.905 20.976 1.00 16.97 C ATOM 298 CG LEU A 766 13.967 21.726 21.414 1.00 20.20 C ATOM 299 CD1 LEU A 766 13.908 21.549 22.905 1.00 21.50 C ATOM 300 CD2 LEU A 766 13.567 20.419 20.714 1.00 22.01 C ATOM 301 H LEU A 766 15.193 23.868 19.743 1.00 0.00 H ATOM 302 N SER A 767 12.407 25.557 19.156 1.00 17.07 N ATOM 303 CA SER A 767 11.429 26.586 18.755 1.00 16.58 C ATOM 304 C SER A 767 11.115 26.471 17.261 1.00 19.30 C ATOM 305 O SER A 767 9.959 26.621 16.851 1.00 18.07 O ATOM 306 CB SER A 767 11.967 27.973 19.068 1.00 19.67 C ATOM 307 OG SER A 767 12.071 28.143 20.472 1.00 20.57 O ATOM 308 HG SER A 767 12.687 27.462 20.841 1.00 0.00 H ATOM 309 H SER A 767 13.356 25.836 19.477 1.00 0.00 H ATOM 310 N THR A 768 12.136 26.130 16.458 1.00 17.94 N ATOM 311 CA THR A 768 11.961 25.898 15.018 1.00 16.04 C ATOM 312 C THR A 768 11.082 24.667 14.763 1.00 17.13 C ATOM 313 O THR A 768 10.117 24.745 13.988 1.00 17.45 O ATOM 314 CB THR A 768 13.314 25.733 14.333 1.00 19.67 C ATOM 315 OG1 THR A 768 14.096 26.917 14.570 1.00 22.88 O ATOM 316 CG2 THR A 768 13.148 25.502 12.816 1.00 21.14 C ATOM 317 HG1 THR A 768 14.223 27.037 15.544 1.00 0.00 H ATOM 318 H THR A 768 13.085 26.026 16.871 1.00 0.00 H ATOM 319 N LEU A 769 11.343 23.565 15.469 1.00 16.48 N ATOM 320 CA LEU A 769 10.485 22.378 15.324 1.00 15.26 C ATOM 321 C LEU A 769 9.036 22.708 15.708 1.00 16.01 C ATOM 322 O LEU A 769 8.118 22.241 15.065 1.00 15.00 O ATOM 323 CB LEU A 769 10.970 21.235 16.206 1.00 15.77 C ATOM 324 CG LEU A 769 12.359 20.684 15.813 1.00 19.28 C ATOM 325 CD1 LEU A 769 12.725 19.506 16.689 1.00 20.54 C ATOM 326 CD2 LEU A 769 12.374 20.240 14.333 1.00 21.90 C ATOM 327 H LEU A 769 12.153 23.545 16.122 1.00 0.00 H ATOM 328 N ASN A 770 8.840 23.511 16.778 1.00 14.89 N ATOM 329 CA ASN A 770 7.479 23.846 17.194 1.00 14.81 C ATOM 330 C ASN A 770 6.775 24.704 16.153 1.00 16.66 C ATOM 331 O ASN A 770 5.582 24.524 15.931 1.00 15.23 O ATOM 332 CB ASN A 770 7.479 24.530 18.553 1.00 14.70 C ATOM 333 CG ASN A 770 7.895 23.573 19.643 1.00 17.46 C ATOM 334 OD1 ASN A 770 7.781 22.349 19.497 1.00 18.76 O ATOM 335 ND2 ASN A 770 8.376 24.096 20.754 1.00 16.60 N ATOM 336 HD22 ASN A 770 8.460 25.128 20.849 1.00 0.00 H ATOM 337 HD21 ASN A 770 8.671 23.476 21.535 1.00 0.00 H ATOM 338 H ASN A 770 9.654 23.889 17.303 1.00 0.00 H ATOM 339 N ARG A 771 7.521 25.635 15.526 1.00 16.77 N ATOM 340 CA ARG A 771 7.019 26.518 14.476 1.00 17.26 C ATOM 341 C ARG A 771 6.546 25.637 13.312 1.00 18.56 C ATOM 342 O ARG A 771 5.449 25.838 12.785 1.00 18.59 O ATOM 343 CB ARG A 771 8.172 27.439 14.038 1.00 19.39 C ATOM 344 CG ARG A 771 7.829 28.505 13.017 1.00 31.37 C ATOM 345 CD ARG A 771 8.802 29.673 13.098 1.00 38.26 C ATOM 346 NE ARG A 771 10.180 29.333 12.735 1.00 41.93 N ATOM 347 CZ ARG A 771 11.219 29.378 13.566 1.00 50.36 C ATOM 348 NH1 ARG A 771 11.049 29.718 14.840 1.00 36.71 N ATOM 349 NH2 ARG A 771 12.433 29.076 13.134 1.00 34.47 N ATOM 350 HE ARG A 771 10.360 29.034 11.755 1.00 0.00 H ATOM 351 HH12 ARG A 771 11.866 29.751 15.483 1.00 0.00 H ATOM 352 HH11 ARG A 771 10.099 29.951 15.194 1.00 0.00 H ATOM 353 HH22 ARG A 771 13.241 29.113 13.787 1.00 0.00 H ATOM 354 HH21 ARG A 771 12.579 28.802 12.141 1.00 0.00 H ATOM 355 H ARG A 771 8.518 25.731 15.808 1.00 0.00 H ATOM 356 N LEU A 772 7.362 24.637 12.952 1.00 14.75 N ATOM 357 CA LEU A 772 7.067 23.715 11.848 1.00 13.60 C ATOM 358 C LEU A 772 5.852 22.850 12.208 1.00 15.13 C ATOM 359 O LEU A 772 4.949 22.690 11.389 1.00 15.97 O ATOM 360 CB LEU A 772 8.297 22.844 11.566 1.00 14.04 C ATOM 361 CG LEU A 772 8.106 21.720 10.553 1.00 16.06 C ATOM 362 CD1 LEU A 772 7.747 22.279 9.171 1.00 17.52 C ATOM 363 CD2 LEU A 772 9.370 20.890 10.443 1.00 18.36 C ATOM 364 H LEU A 772 8.248 24.507 13.481 1.00 0.00 H ATOM 365 N ALA A 773 5.820 22.319 13.445 1.00 14.13 N ATOM 366 CA ALA A 773 4.688 21.503 13.888 1.00 14.91 C ATOM 367 C ALA A 773 3.378 22.293 13.836 1.00 15.43 C ATOM 368 O ALA A 773 2.352 21.762 13.395 1.00 15.86 O ATOM 369 CB ALA A 773 4.923 20.975 15.297 1.00 16.32 C ATOM 370 H ALA A 773 6.612 22.491 14.096 1.00 0.00 H ATOM 371 N GLY A 774 3.418 23.563 14.238 1.00 15.52 N ATOM 372 CA GLY A 774 2.205 24.374 14.177 1.00 15.53 C ATOM 373 C GLY A 774 1.701 24.546 12.747 1.00 18.07 C ATOM 374 O GLY A 774 0.496 24.409 12.482 1.00 17.98 O ATOM 375 H GLY A 774 4.306 23.973 14.592 1.00 0.00 H ATOM 376 N LYS A 775 2.626 24.831 11.822 1.00 16.90 N ATOM 377 CA LYS A 775 2.277 25.019 10.401 1.00 17.99 C ATOM 378 C LYS A 775 1.713 23.696 9.842 1.00 18.83 C ATOM 379 O LYS A 775 0.701 23.691 9.127 1.00 18.07 O ATOM 380 CB LYS A 775 3.519 25.436 9.613 1.00 21.58 C ATOM 381 CG LYS A 775 3.267 26.066 8.250 1.00 46.96 C ATOM 382 CD LYS A 775 4.593 26.517 7.640 1.00 61.81 C ATOM 383 CE LYS A 775 4.457 27.023 6.225 1.00 75.49 C ATOM 384 NZ LYS A 775 5.784 27.158 5.563 1.00 84.08 N ATOM 385 HZ1 LYS A 775 6.370 27.830 6.098 1.00 0.00 H ATOM 386 HZ2 LYS A 775 6.253 26.230 5.537 1.00 0.00 H ATOM 387 HZ3 LYS A 775 5.652 27.508 4.593 1.00 0.00 H ATOM 388 H LYS A 775 3.620 24.923 12.114 1.00 0.00 H ATOM 389 N GLN A 776 2.340 22.572 10.215 1.00 15.68 N ATOM 390 CA GLN A 776 1.842 21.270 9.750 1.00 14.51 C ATOM 391 C GLN A 776 0.486 20.962 10.339 1.00 17.26 C ATOM 392 O GLN A 776 -0.337 20.332 9.681 1.00 16.81 O ATOM 393 CB GLN A 776 2.846 20.165 10.093 1.00 14.70 C ATOM 394 CG GLN A 776 4.091 20.276 9.226 1.00 15.87 C ATOM 395 CD GLN A 776 5.015 19.142 9.462 1.00 21.45 C ATOM 396 OE1 GLN A 776 4.823 18.321 10.361 1.00 18.64 O ATOM 397 NE2 GLN A 776 6.079 19.090 8.676 1.00 20.76 N ATOM 398 HE22 GLN A 776 6.208 19.800 7.927 1.00 0.00 H ATOM 399 HE21 GLN A 776 6.786 18.339 8.807 1.00 0.00 H ATOM 400 H GLN A 776 3.176 22.621 10.831 1.00 0.00 H ATOM 401 N MET A 777 0.222 21.378 11.584 1.00 14.42 N ATOM 402 CA MET A 777 -1.105 21.119 12.160 1.00 14.46 C ATOM 403 C MET A 777 -2.237 21.866 11.412 1.00 16.77 C ATOM 404 O MET A 777 -3.361 21.341 11.345 1.00 17.45 O ATOM 405 CB MET A 777 -1.122 21.389 13.676 1.00 16.03 C ATOM 406 CG MET A 777 -0.424 20.266 14.488 1.00 17.53 C ATOM 407 SD MET A 777 -0.873 18.576 13.988 1.00 18.43 S ATOM 408 CE MET A 777 -2.713 18.631 14.319 1.00 16.26 C ATOM 409 H MET A 777 0.947 21.878 12.137 1.00 0.00 H ATOM 410 N ILE A 778 -1.963 23.075 10.859 1.00 15.24 N ATOM 411 CA ILE A 778 -2.982 23.758 10.046 1.00 16.30 C ATOM 412 C ILE A 778 -3.262 22.883 8.810 1.00 18.07 C ATOM 413 O ILE A 778 -4.427 22.680 8.447 1.00 18.36 O ATOM 414 CB ILE A 778 -2.507 25.183 9.672 1.00 20.39 C ATOM 415 CG1 ILE A 778 -2.399 26.007 10.978 1.00 21.71 C ATOM 416 CG2 ILE A 778 -3.516 25.827 8.686 1.00 22.52 C ATOM 417 CD1 ILE A 778 -1.688 27.372 10.857 1.00 30.07 C ATOM 418 H ILE A 778 -1.034 23.518 11.010 1.00 0.00 H ATOM 419 N GLN A 779 -2.206 22.315 8.213 1.00 16.69 N ATOM 420 CA GLN A 779 -2.391 21.415 7.077 1.00 16.24 C ATOM 421 C GLN A 779 -3.183 20.160 7.453 1.00 19.21 C ATOM 422 O GLN A 779 -4.027 19.696 6.670 1.00 17.89 O ATOM 423 CB GLN A 779 -1.062 20.965 6.520 1.00 17.27 C ATOM 424 CG GLN A 779 -0.229 22.092 5.965 1.00 18.41 C ATOM 425 CD GLN A 779 0.969 21.421 5.378 1.00 25.92 C ATOM 426 OE1 GLN A 779 1.783 20.814 6.098 1.00 27.54 O ATOM 427 NE2 GLN A 779 1.086 21.496 4.066 1.00 25.51 N ATOM 428 HE22 GLN A 779 0.378 22.016 3.510 1.00 0.00 H ATOM 429 HE21 GLN A 779 1.886 21.035 3.588 1.00 0.00 H ATOM 430 H GLN A 779 -1.247 22.516 8.561 1.00 0.00 H ATOM 431 N VAL A 780 -2.902 19.583 8.637 1.00 16.21 N ATOM 432 CA VAL A 780 -3.634 18.397 9.089 1.00 16.41 C ATOM 433 C VAL A 780 -5.122 18.701 9.208 1.00 17.93 C ATOM 434 O VAL A 780 -5.946 17.874 8.834 1.00 17.33 O ATOM 435 CB VAL A 780 -3.078 17.920 10.443 1.00 19.80 C ATOM 436 CG1 VAL A 780 -4.046 16.945 11.139 1.00 20.15 C ATOM 437 CG2 VAL A 780 -1.707 17.297 10.245 1.00 19.65 C ATOM 438 H VAL A 780 -2.155 19.985 9.239 1.00 0.00 H ATOM 439 N VAL A 781 -5.481 19.860 9.764 1.00 16.14 N ATOM 440 CA VAL A 781 -6.909 20.153 9.910 1.00 16.90 C ATOM 441 C VAL A 781 -7.565 20.270 8.542 1.00 20.99 C ATOM 442 O VAL A 781 -8.644 19.724 8.335 1.00 20.54 O ATOM 443 CB VAL A 781 -7.136 21.410 10.778 1.00 21.69 C ATOM 444 CG1 VAL A 781 -8.633 21.709 10.881 1.00 22.15 C ATOM 445 CG2 VAL A 781 -6.524 21.209 12.163 1.00 22.50 C ATOM 446 H VAL A 781 -4.763 20.540 10.086 1.00 0.00 H ATOM 447 N LYS A 782 -6.906 20.932 7.605 1.00 18.55 N ATOM 448 CA LYS A 782 -7.479 21.079 6.259 1.00 18.67 C ATOM 449 C LYS A 782 -7.632 19.736 5.551 1.00 18.77 C ATOM 450 O LYS A 782 -8.653 19.503 4.882 1.00 20.25 O ATOM 451 CB LYS A 782 -6.645 22.052 5.462 1.00 23.07 C ATOM 452 CG LYS A 782 -6.813 23.460 6.052 1.00 26.48 C ATOM 453 CD LYS A 782 -6.213 24.523 5.148 1.00 39.29 C ATOM 454 CE LYS A 782 -6.194 25.876 5.815 1.00 46.44 C ATOM 455 NZ LYS A 782 -5.791 26.945 4.862 1.00 61.26 N ATOM 456 HZ1 LYS A 782 -4.838 26.742 4.498 1.00 0.00 H ATOM 457 HZ2 LYS A 782 -6.466 26.975 4.071 1.00 0.00 H ATOM 458 HZ3 LYS A 782 -5.788 27.862 5.353 1.00 0.00 H ATOM 459 H LYS A 782 -5.979 21.350 7.821 1.00 0.00 H ATOM 460 N TRP A 783 -6.671 18.839 5.762 1.00 15.43 N ATOM 461 CA TRP A 783 -6.690 17.479 5.204 1.00 15.05 C ATOM 462 C TRP A 783 -7.845 16.685 5.849 1.00 19.19 C ATOM 463 O TRP A 783 -8.613 16.045 5.139 1.00 16.69 O ATOM 464 CB TRP A 783 -5.330 16.808 5.530 1.00 14.23 C ATOM 465 CG TRP A 783 -5.288 15.316 5.442 1.00 14.53 C ATOM 466 CD1 TRP A 783 -5.079 14.565 4.321 1.00 16.67 C ATOM 467 CD2 TRP A 783 -5.294 14.394 6.545 1.00 14.76 C ATOM 468 NE1 TRP A 783 -5.038 13.230 4.652 1.00 16.59 N ATOM 469 CE2 TRP A 783 -5.152 13.098 6.009 1.00 17.47 C ATOM 470 CE3 TRP A 783 -5.444 14.542 7.943 1.00 16.45 C ATOM 471 CZ2 TRP A 783 -5.090 11.950 6.821 1.00 17.79 C ATOM 472 CZ3 TRP A 783 -5.368 13.411 8.750 1.00 17.82 C ATOM 473 CH2 TRP A 783 -5.210 12.129 8.186 1.00 18.78 C ATOM 474 HE1 TRP A 783 -4.936 12.445 3.977 1.00 0.00 H ATOM 475 H TRP A 783 -5.862 19.116 6.354 1.00 0.00 H ATOM 476 N ALA A 784 -7.950 16.724 7.185 1.00 17.81 N ATOM 477 CA ALA A 784 -9.002 15.971 7.890 1.00 17.45 C ATOM 478 C ALA A 784 -10.389 16.413 7.425 1.00 20.99 C ATOM 479 O ALA A 784 -11.271 15.557 7.299 1.00 20.67 O ATOM 480 CB ALA A 784 -8.862 16.156 9.411 1.00 17.88 C ATOM 481 H ALA A 784 -7.277 17.296 7.734 1.00 0.00 H ATOM 482 N LYS A 785 -10.578 17.707 7.103 1.00 17.30 N ATOM 483 CA LYS A 785 -11.901 18.202 6.673 1.00 18.39 C ATOM 484 C LYS A 785 -12.364 17.509 5.390 1.00 21.67 C ATOM 485 O LYS A 785 -13.571 17.322 5.208 1.00 23.25 O ATOM 486 CB LYS A 785 -11.888 19.708 6.462 1.00 22.91 C ATOM 487 CG LYS A 785 -11.824 20.492 7.755 1.00 29.61 C ATOM 488 CD LYS A 785 -11.659 21.972 7.469 1.00 36.39 C ATOM 489 CE LYS A 785 -12.946 22.654 7.062 1.00 40.21 C ATOM 490 NZ LYS A 785 -12.738 24.114 6.913 1.00 42.34 N ATOM 491 HZ1 LYS A 785 -12.417 24.511 7.819 1.00 0.00 H ATOM 492 HZ2 LYS A 785 -12.018 24.288 6.183 1.00 0.00 H ATOM 493 HZ3 LYS A 785 -13.633 24.564 6.633 1.00 0.00 H ATOM 494 H LYS A 785 -9.778 18.369 7.158 1.00 0.00 H ATOM 495 N VAL A 786 -11.410 17.140 4.506 1.00 17.04 N ATOM 496 CA VAL A 786 -11.747 16.513 3.235 1.00 16.69 C ATOM 497 C VAL A 786 -11.463 15.017 3.227 1.00 18.65 C ATOM 498 O VAL A 786 -11.546 14.385 2.175 1.00 18.74 O ATOM 499 CB VAL A 786 -11.114 17.233 2.020 1.00 18.13 C ATOM 500 CG1 VAL A 786 -11.682 18.644 1.857 1.00 18.77 C ATOM 501 CG2 VAL A 786 -9.569 17.250 2.095 1.00 17.67 C ATOM 502 H VAL A 786 -10.410 17.308 4.739 1.00 0.00 H ATOM 503 N LEU A 787 -11.195 14.428 4.406 1.00 16.89 N ATOM 504 CA LEU A 787 -10.931 13.019 4.533 1.00 17.61 C ATOM 505 C LEU A 787 -12.257 12.272 4.436 1.00 19.51 C ATOM 506 O LEU A 787 -13.153 12.555 5.235 1.00 19.54 O ATOM 507 CB LEU A 787 -10.318 12.803 5.917 1.00 19.38 C ATOM 508 CG LEU A 787 -9.807 11.479 6.278 1.00 25.15 C ATOM 509 CD1 LEU A 787 -8.671 11.062 5.329 1.00 25.03 C ATOM 510 CD2 LEU A 787 -9.225 11.567 7.674 1.00 22.74 C ATOM 511 H LEU A 787 -11.178 15.016 5.263 1.00 0.00 H ATOM 512 N PRO A 788 -12.440 11.322 3.491 1.00 17.81 N ATOM 513 CA PRO A 788 -13.749 10.634 3.407 1.00 18.96 C ATOM 514 C PRO A 788 -14.193 10.044 4.748 1.00 21.53 C ATOM 515 O PRO A 788 -13.454 9.302 5.404 1.00 21.58 O ATOM 516 CB PRO A 788 -13.522 9.561 2.344 1.00 20.89 C ATOM 517 CG PRO A 788 -12.447 10.142 1.473 1.00 23.94 C ATOM 518 CD PRO A 788 -11.522 10.862 2.422 1.00 19.84 C ATOM 519 N GLY A 789 -15.391 10.432 5.156 1.00 19.55 N ATOM 520 CA GLY A 789 -15.971 9.962 6.408 1.00 20.08 C ATOM 521 C GLY A 789 -15.817 10.885 7.602 1.00 20.01 C ATOM 522 O GLY A 789 -16.625 10.811 8.530 1.00 19.83 O ATOM 523 H GLY A 789 -15.935 11.093 4.565 1.00 0.00 H ATOM 524 N PHE A 790 -14.780 11.735 7.633 1.00 16.22 N ATOM 525 CA PHE A 790 -14.509 12.525 8.829 1.00 16.22 C ATOM 526 C PHE A 790 -15.629 13.520 9.173 1.00 20.30 C ATOM 527 O PHE A 790 -15.962 13.696 10.354 1.00 18.72 O ATOM 528 CB PHE A 790 -13.135 13.218 8.688 1.00 17.29 C ATOM 529 CG PHE A 790 -12.574 13.801 9.971 1.00 17.34 C ATOM 530 CD1 PHE A 790 -12.118 12.969 10.992 1.00 19.70 C ATOM 531 CD2 PHE A 790 -12.520 15.173 10.159 1.00 19.63 C ATOM 532 CE1 PHE A 790 -11.567 13.508 12.162 1.00 19.43 C ATOM 533 CE2 PHE A 790 -11.940 15.710 11.313 1.00 21.08 C ATOM 534 CZ PHE A 790 -11.468 14.872 12.298 1.00 19.18 C ATOM 535 H PHE A 790 -14.166 11.831 6.800 1.00 0.00 H ATOM 536 N LYS A 791 -16.230 14.126 8.128 1.00 21.45 N ATOM 537 CA LYS A 791 -17.324 15.101 8.258 1.00 22.71 C ATOM 538 C LYS A 791 -18.551 14.533 8.976 1.00 25.27 C ATOM 539 O LYS A 791 -19.343 15.317 9.507 1.00 25.92 O ATOM 540 CB LYS A 791 -17.747 15.622 6.859 1.00 27.54 C ATOM 541 CG LYS A 791 -18.483 14.592 5.988 1.00 37.30 C ATOM 542 CD LYS A 791 -19.381 15.232 4.938 1.00 47.84 C ATOM 543 CE LYS A 791 -20.118 14.185 4.132 1.00 57.68 C ATOM 544 NZ LYS A 791 -21.185 13.505 4.921 1.00 67.43 N ATOM 545 HZ1 LYS A 791 -20.759 13.035 5.745 1.00 0.00 H ATOM 546 HZ2 LYS A 791 -21.879 14.210 5.243 1.00 0.00 H ATOM 547 HZ3 LYS A 791 -21.659 12.798 4.324 1.00 0.00 H ATOM 548 H LYS A 791 -15.899 13.889 7.171 1.00 0.00 H ATOM 549 N ASN A 792 -18.733 13.191 8.957 1.00 23.06 N ATOM 550 CA ASN A 792 -19.852 12.510 9.612 1.00 23.40 C ATOM 551 C ASN A 792 -19.719 12.603 11.135 1.00 23.36 C ATOM 552 O ASN A 792 -20.730 12.572 11.844 1.00 23.38 O ATOM 553 CB ASN A 792 -19.915 11.040 9.187 1.00 26.03 C ATOM 554 CG ASN A 792 -20.258 10.820 7.729 1.00 51.17 C ATOM 555 OD1 ASN A 792 -20.980 11.603 7.101 1.00 47.84 O ATOM 556 ND2 ASN A 792 -19.759 9.730 7.160 1.00 42.44 N ATOM 557 HD22 ASN A 792 -19.154 9.087 7.710 1.00 0.00 H ATOM 558 HD21 ASN A 792 -19.973 9.519 6.164 1.00 0.00 H ATOM 559 H ASN A 792 -18.037 12.610 8.447 1.00 0.00 H ATOM 560 N LEU A 793 -18.470 12.713 11.651 1.00 18.91 N ATOM 561 CA LEU A 793 -18.303 12.760 13.100 1.00 17.43 C ATOM 562 C LEU A 793 -18.644 14.148 13.615 1.00 19.19 C ATOM 563 O LEU A 793 -18.391 15.136 12.927 1.00 20.52 O ATOM 564 CB LEU A 793 -16.857 12.394 13.473 1.00 16.48 C ATOM 565 CG LEU A 793 -16.284 11.154 12.783 1.00 18.56 C ATOM 566 CD1 LEU A 793 -14.879 10.870 13.298 1.00 19.23 C ATOM 567 CD2 LEU A 793 -17.171 9.892 12.975 1.00 20.42 C ATOM 568 H LEU A 793 -17.643 12.763 11.023 1.00 0.00 H ATOM 569 N PRO A 794 -19.239 14.238 14.816 1.00 17.87 N ATOM 570 CA PRO A 794 -19.567 15.553 15.369 1.00 17.45 C ATOM 571 C PRO A 794 -18.323 16.373 15.651 1.00 19.91 C ATOM 572 O PRO A 794 -17.224 15.817 15.817 1.00 18.74 O ATOM 573 CB PRO A 794 -20.372 15.235 16.635 1.00 20.29 C ATOM 574 CG PRO A 794 -20.041 13.878 17.010 1.00 24.43 C ATOM 575 CD PRO A 794 -19.624 13.147 15.738 1.00 19.91 C ATOM 576 N LEU A 795 -18.483 17.712 15.612 1.00 20.02 N ATOM 577 CA LEU A 795 -17.343 18.625 15.790 1.00 19.30 C ATOM 578 C LEU A 795 -16.509 18.341 17.031 1.00 21.79 C ATOM 579 O LEU A 795 -15.259 18.335 16.928 1.00 19.61 O ATOM 580 CB LEU A 795 -17.861 20.076 15.790 1.00 20.52 C ATOM 581 CG LEU A 795 -16.829 21.177 16.078 1.00 24.77 C ATOM 582 CD1 LEU A 795 -15.728 21.232 14.968 1.00 25.12 C ATOM 583 CD2 LEU A 795 -17.521 22.522 16.286 1.00 26.84 C ATOM 584 H LEU A 795 -19.432 18.107 15.453 1.00 0.00 H ATOM 585 N GLU A 796 -17.169 18.062 18.184 1.00 20.94 N ATOM 586 CA GLU A 796 -16.447 17.762 19.431 1.00 20.07 C ATOM 587 C GLU A 796 -15.527 16.542 19.226 1.00 20.14 C ATOM 588 O GLU A 796 -14.406 16.537 19.737 1.00 19.19 O ATOM 589 CB GLU A 796 -17.438 17.494 20.581 1.00 22.27 C ATOM 590 CG GLU A 796 -16.771 17.438 21.947 1.00 31.62 C ATOM 591 CD GLU A 796 -17.698 17.165 23.114 1.00 43.27 C ATOM 592 OE1 GLU A 796 -18.899 17.503 23.013 1.00 35.45 O ATOM 593 OE2 GLU A 796 -17.224 16.601 24.128 1.00 42.36 O ATOM 594 H GLU A 796 -18.209 18.060 18.186 1.00 0.00 H ATOM 595 N ASP A 797 -16.008 15.509 18.517 1.00 17.55 N ATOM 596 CA ASP A 797 -15.190 14.313 18.260 1.00 17.06 C ATOM 597 C ASP A 797 -14.070 14.596 17.259 1.00 18.43 C ATOM 598 O ASP A 797 -12.966 14.076 17.432 1.00 18.07 O ATOM 599 CB ASP A 797 -16.040 13.129 17.798 1.00 18.52 C ATOM 600 CG ASP A 797 -16.985 12.617 18.860 1.00 22.16 C ATOM 601 OD1 ASP A 797 -16.807 12.998 20.063 1.00 22.18 O ATOM 602 OD2 ASP A 797 -17.906 11.841 18.508 1.00 22.27 O ATOM 603 H ASP A 797 -16.977 15.555 18.142 1.00 0.00 H ATOM 604 N GLN A 798 -14.321 15.443 16.240 1.00 16.78 N ATOM 605 CA GLN A 798 -13.257 15.804 15.289 1.00 15.57 C ATOM 606 C GLN A 798 -12.108 16.476 16.048 1.00 17.36 C ATOM 607 O GLN A 798 -10.922 16.171 15.817 1.00 16.85 O ATOM 608 CB GLN A 798 -13.790 16.793 14.262 1.00 16.81 C ATOM 609 CG GLN A 798 -14.834 16.143 13.338 1.00 17.71 C ATOM 610 CD GLN A 798 -15.320 17.082 12.262 1.00 29.38 C ATOM 611 OE1 GLN A 798 -14.901 18.234 12.159 1.00 31.13 O ATOM 612 NE2 GLN A 798 -16.251 16.622 11.466 1.00 29.02 N ATOM 613 HE22 GLN A 798 -16.590 15.644 11.572 1.00 0.00 H ATOM 614 HE21 GLN A 798 -16.653 17.234 10.727 1.00 0.00 H ATOM 615 H GLN A 798 -15.274 15.844 16.125 1.00 0.00 H ATOM 616 N ILE A 799 -12.469 17.412 16.946 1.00 16.74 N ATOM 617 CA ILE A 799 -11.480 18.131 17.766 1.00 16.61 C ATOM 618 C ILE A 799 -10.727 17.184 18.691 1.00 17.52 C ATOM 619 O ILE A 799 -9.491 17.217 18.741 1.00 16.71 O ATOM 620 CB ILE A 799 -12.153 19.282 18.530 1.00 19.61 C ATOM 621 CG1 ILE A 799 -12.567 20.383 17.532 1.00 20.97 C ATOM 622 CG2 ILE A 799 -11.226 19.835 19.656 1.00 20.21 C ATOM 623 CD1 ILE A 799 -13.510 21.389 18.091 1.00 26.74 C ATOM 624 H ILE A 799 -13.478 17.634 17.064 1.00 0.00 H ATOM 625 N THR A 800 -11.464 16.291 19.367 1.00 15.41 N ATOM 626 CA THR A 800 -10.852 15.315 20.269 1.00 15.38 C ATOM 627 C THR A 800 -9.836 14.467 19.504 1.00 16.82 C ATOM 628 O THR A 800 -8.701 14.273 19.966 1.00 17.38 O ATOM 629 CB THR A 800 -11.920 14.420 20.897 1.00 19.95 C ATOM 630 OG1 THR A 800 -12.696 15.230 21.774 1.00 20.18 O ATOM 631 CG2 THR A 800 -11.321 13.266 21.696 1.00 20.67 C ATOM 632 HG1 THR A 800 -13.117 15.963 21.258 1.00 0.00 H ATOM 633 H THR A 800 -12.497 16.292 19.247 1.00 0.00 H ATOM 634 N LEU A 801 -10.232 13.958 18.314 1.00 14.70 N ATOM 635 CA LEU A 801 -9.317 13.087 17.557 1.00 14.94 C ATOM 636 C LEU A 801 -8.073 13.823 17.081 1.00 15.81 C ATOM 637 O LEU A 801 -6.979 13.271 17.180 1.00 16.54 O ATOM 638 CB LEU A 801 -10.060 12.415 16.403 1.00 15.08 C ATOM 639 CG LEU A 801 -11.146 11.438 16.873 1.00 17.81 C ATOM 640 CD1 LEU A 801 -12.122 11.097 15.723 1.00 19.05 C ATOM 641 CD2 LEU A 801 -10.517 10.144 17.495 1.00 18.18 C ATOM 642 H LEU A 801 -11.175 14.180 17.937 1.00 0.00 H ATOM 643 N ILE A 802 -8.228 15.062 16.591 1.00 14.50 N ATOM 644 CA ILE A 802 -7.047 15.828 16.163 1.00 14.94 C ATOM 645 C ILE A 802 -6.131 16.128 17.350 1.00 17.40 C ATOM 646 O ILE A 802 -4.911 15.958 17.233 1.00 16.96 O ATOM 647 CB ILE A 802 -7.485 17.100 15.417 1.00 17.79 C ATOM 648 CG1 ILE A 802 -8.045 16.703 14.024 1.00 18.27 C ATOM 649 CG2 ILE A 802 -6.296 18.081 15.247 1.00 19.15 C ATOM 650 CD1 ILE A 802 -8.876 17.779 13.371 1.00 22.13 C ATOM 651 H ILE A 802 -9.178 15.479 16.514 1.00 0.00 H ATOM 652 N GLN A 803 -6.688 16.528 18.484 1.00 16.54 N ATOM 653 CA GLN A 803 -5.862 16.824 19.655 1.00 16.42 C ATOM 654 C GLN A 803 -5.148 15.586 20.197 1.00 19.21 C ATOM 655 O GLN A 803 -3.998 15.697 20.621 1.00 19.78 O ATOM 656 CB GLN A 803 -6.713 17.444 20.778 1.00 17.92 C ATOM 657 CG GLN A 803 -7.192 18.857 20.435 1.00 19.23 C ATOM 658 CD GLN A 803 -8.082 19.386 21.537 1.00 28.07 C ATOM 659 OE1 GLN A 803 -8.674 18.628 22.311 1.00 28.71 O ATOM 660 NE2 GLN A 803 -8.181 20.697 21.647 1.00 29.28 N ATOM 661 HE22 GLN A 803 -7.672 21.314 20.982 1.00 0.00 H ATOM 662 HE21 GLN A 803 -8.768 21.113 22.398 1.00 0.00 H ATOM 663 H GLN A 803 -7.721 16.632 18.542 1.00 0.00 H ATOM 664 N TYR A 804 -5.808 14.407 20.192 1.00 15.31 N ATOM 665 CA TYR A 804 -5.136 13.223 20.730 1.00 15.18 C ATOM 666 C TYR A 804 -4.113 12.619 19.782 1.00 18.41 C ATOM 667 O TYR A 804 -3.153 11.992 20.241 1.00 20.55 O ATOM 668 CB TYR A 804 -6.166 12.126 21.093 1.00 17.16 C ATOM 669 CG TYR A 804 -6.848 12.279 22.440 1.00 21.34 C ATOM 670 CD1 TYR A 804 -6.167 12.808 23.534 1.00 27.10 C ATOM 671 CD2 TYR A 804 -8.103 11.734 22.667 1.00 23.94 C ATOM 672 CE1 TYR A 804 -6.780 12.919 24.784 1.00 30.88 C ATOM 673 CE2 TYR A 804 -8.718 11.824 23.911 1.00 25.91 C ATOM 674 CZ TYR A 804 -8.074 12.456 24.955 1.00 33.80 C ATOM 675 OH TYR A 804 -8.717 12.566 26.174 1.00 35.96 O ATOM 676 HH TYR A 804 -9.558 13.075 26.057 1.00 0.00 H ATOM 677 H TYR A 804 -6.774 14.342 19.813 1.00 0.00 H ATOM 678 N SER A 805 -4.280 12.822 18.468 1.00 14.06 N ATOM 679 CA SER A 805 -3.402 12.151 17.511 1.00 13.93 C ATOM 680 C SER A 805 -2.325 13.026 16.875 1.00 14.78 C ATOM 681 O SER A 805 -1.558 12.503 16.061 1.00 14.65 O ATOM 682 CB SER A 805 -4.254 11.557 16.383 1.00 16.77 C ATOM 683 OG SER A 805 -4.795 12.603 15.587 1.00 17.36 O ATOM 684 HG SER A 805 -5.360 13.188 16.152 1.00 0.00 H ATOM 685 H SER A 805 -5.032 13.455 18.130 1.00 0.00 H ATOM 686 N TRP A 806 -2.285 14.327 17.210 1.00 13.53 N ATOM 687 CA TRP A 806 -1.380 15.227 16.491 1.00 12.84 C ATOM 688 C TRP A 806 0.057 14.722 16.395 1.00 14.49 C ATOM 689 O TRP A 806 0.630 14.712 15.307 1.00 14.75 O ATOM 690 CB TRP A 806 -1.452 16.654 17.052 1.00 13.66 C ATOM 691 CG TRP A 806 -0.738 16.917 18.322 1.00 15.89 C ATOM 692 CD1 TRP A 806 -1.198 16.715 19.590 1.00 18.66 C ATOM 693 CD2 TRP A 806 0.566 17.477 18.447 1.00 16.24 C ATOM 694 NE1 TRP A 806 -0.237 17.092 20.503 1.00 18.98 N ATOM 695 CE2 TRP A 806 0.841 17.601 19.828 1.00 19.59 C ATOM 696 CE3 TRP A 806 1.533 17.903 17.520 1.00 18.64 C ATOM 697 CZ2 TRP A 806 2.052 18.117 20.307 1.00 20.23 C ATOM 698 CZ3 TRP A 806 2.732 18.415 17.997 1.00 20.29 C ATOM 699 CH2 TRP A 806 2.980 18.511 19.376 1.00 20.84 C ATOM 700 HE1 TRP A 806 -0.317 17.004 21.536 1.00 0.00 H ATOM 701 H TRP A 806 -2.891 14.691 17.973 1.00 0.00 H ATOM 702 N MET A 807 0.609 14.268 17.516 1.00 13.19 N ATOM 703 CA MET A 807 2.023 13.836 17.558 1.00 12.82 C ATOM 704 C MET A 807 2.206 12.580 16.739 1.00 16.08 C ATOM 705 O MET A 807 3.263 12.395 16.137 1.00 15.95 O ATOM 706 CB MET A 807 2.496 13.664 19.024 1.00 15.12 C ATOM 707 CG MET A 807 4.028 13.392 19.183 1.00 16.33 C ATOM 708 SD MET A 807 5.017 14.844 18.730 1.00 18.06 S ATOM 709 CE MET A 807 4.862 15.827 20.270 1.00 17.14 C ATOM 710 H MET A 807 0.035 14.216 18.381 1.00 0.00 H ATOM 711 N SER A 808 1.197 11.693 16.725 1.00 12.54 N ATOM 712 CA SER A 808 1.290 10.475 15.914 1.00 12.10 C ATOM 713 C SER A 808 1.332 10.859 14.439 1.00 13.30 C ATOM 714 O SER A 808 2.188 10.361 13.702 1.00 13.44 O ATOM 715 CB SER A 808 0.076 9.583 16.167 1.00 15.54 C ATOM 716 OG SER A 808 0.056 9.137 17.512 1.00 16.72 O ATOM 717 HG SER A 808 -0.737 8.561 17.656 1.00 0.00 H ATOM 718 H SER A 808 0.344 11.871 17.293 1.00 0.00 H ATOM 719 N LEU A 809 0.406 11.732 13.993 1.00 13.22 N ATOM 720 CA LEU A 809 0.363 12.099 12.585 1.00 13.01 C ATOM 721 C LEU A 809 1.682 12.755 12.168 1.00 15.47 C ATOM 722 O LEU A 809 2.226 12.417 11.113 1.00 15.49 O ATOM 723 CB LEU A 809 -0.808 13.061 12.319 1.00 14.09 C ATOM 724 CG LEU A 809 -2.204 12.475 12.537 1.00 17.83 C ATOM 725 CD1 LEU A 809 -3.268 13.536 12.254 1.00 18.21 C ATOM 726 CD2 LEU A 809 -2.468 11.324 11.634 1.00 22.25 C ATOM 727 H LEU A 809 -0.280 12.144 14.657 1.00 0.00 H ATOM 728 N LEU A 810 2.171 13.703 12.977 1.00 13.25 N ATOM 729 CA LEU A 810 3.375 14.407 12.561 1.00 13.33 C ATOM 730 C LEU A 810 4.598 13.501 12.574 1.00 14.48 C ATOM 731 O LEU A 810 5.479 13.685 11.730 1.00 15.43 O ATOM 732 CB LEU A 810 3.618 15.646 13.420 1.00 13.35 C ATOM 733 CG LEU A 810 2.514 16.701 13.370 1.00 15.73 C ATOM 734 CD1 LEU A 810 3.013 17.976 13.962 1.00 18.50 C ATOM 735 CD2 LEU A 810 2.034 16.963 11.940 1.00 18.11 C ATOM 736 H LEU A 810 1.703 13.930 13.878 1.00 0.00 H ATOM 737 N SER A 811 4.696 12.566 13.544 1.00 11.58 N ATOM 738 CA SER A 811 5.868 11.692 13.607 1.00 11.14 C ATOM 739 C SER A 811 5.851 10.666 12.470 1.00 13.91 C ATOM 740 O SER A 811 6.903 10.347 11.919 1.00 15.39 O ATOM 741 CB SER A 811 5.986 11.007 14.970 1.00 11.39 C ATOM 742 OG SER A 811 4.847 10.229 15.304 1.00 8.58 O ATOM 743 HG SER A 811 4.047 10.811 15.329 1.00 0.00 H ATOM 744 H SER A 811 3.937 12.467 14.248 1.00 0.00 H ATOM 745 N PHE A 812 4.654 10.148 12.114 1.00 13.65 N ATOM 746 CA PHE A 812 4.560 9.181 11.024 1.00 13.36 C ATOM 747 C PHE A 812 4.907 9.871 9.687 1.00 13.71 C ATOM 748 O PHE A 812 5.656 9.272 8.875 1.00 15.90 O ATOM 749 CB PHE A 812 3.122 8.627 11.018 1.00 14.11 C ATOM 750 CG PHE A 812 2.994 7.334 10.252 1.00 15.49 C ATOM 751 CD1 PHE A 812 3.605 6.168 10.715 1.00 17.26 C ATOM 752 CD2 PHE A 812 2.194 7.260 9.119 1.00 17.20 C ATOM 753 CE1 PHE A 812 3.428 4.942 10.037 1.00 17.98 C ATOM 754 CE2 PHE A 812 2.029 6.047 8.441 1.00 18.37 C ATOM 755 CZ PHE A 812 2.669 4.915 8.879 1.00 17.28 C ATOM 756 H PHE A 812 3.794 10.440 12.620 1.00 0.00 H ATOM 757 N ALA A 813 4.489 11.137 9.503 1.00 13.26 N ATOM 758 CA ALA A 813 4.816 11.844 8.267 1.00 13.48 C ATOM 759 C ALA A 813 6.317 12.174 8.238 1.00 16.47 C ATOM 760 O ALA A 813 6.921 12.144 7.162 1.00 14.89 O ATOM 761 CB ALA A 813 4.005 13.106 8.135 1.00 13.67 C ATOM 762 H ALA A 813 3.932 11.613 10.242 1.00 0.00 H ATOM 763 N LEU A 814 6.914 12.472 9.402 1.00 13.94 N ATOM 764 CA LEU A 814 8.373 12.702 9.461 1.00 13.48 C ATOM 765 C LEU A 814 9.107 11.428 9.010 1.00 15.62 C ATOM 766 O LEU A 814 10.078 11.526 8.252 1.00 15.64 O ATOM 767 CB LEU A 814 8.782 13.070 10.901 1.00 13.03 C ATOM 768 CG LEU A 814 10.279 13.088 11.213 1.00 15.32 C ATOM 769 CD1 LEU A 814 10.998 14.120 10.357 1.00 16.08 C ATOM 770 CD2 LEU A 814 10.467 13.432 12.681 1.00 17.26 C ATOM 771 H LEU A 814 6.345 12.542 10.270 1.00 0.00 H ATOM 772 N SER A 815 8.648 10.256 9.488 1.00 14.30 N ATOM 773 CA SER A 815 9.213 8.969 9.100 1.00 14.73 C ATOM 774 C SER A 815 9.105 8.764 7.576 1.00 17.97 C ATOM 775 O SER A 815 10.067 8.317 6.943 1.00 18.52 O ATOM 776 CB SER A 815 8.497 7.844 9.841 1.00 17.62 C ATOM 777 OG SER A 815 9.072 6.602 9.476 1.00 21.08 O ATOM 778 HG SER A 815 8.608 5.871 9.956 1.00 0.00 H ATOM 779 H SER A 815 7.857 10.269 10.163 1.00 0.00 H ATOM 780 N TRP A 816 7.962 9.142 6.984 1.00 15.00 N ATOM 781 CA TRP A 816 7.743 9.007 5.548 1.00 14.18 C ATOM 782 C TRP A 816 8.688 9.903 4.765 1.00 18.11 C ATOM 783 O TRP A 816 9.298 9.444 3.805 1.00 16.23 O ATOM 784 CB TRP A 816 6.282 9.329 5.191 1.00 14.21 C ATOM 785 CG TRP A 816 6.039 9.236 3.719 1.00 15.69 C ATOM 786 CD1 TRP A 816 5.953 10.278 2.846 1.00 19.13 C ATOM 787 CD2 TRP A 816 6.030 8.042 2.926 1.00 16.04 C ATOM 788 NE1 TRP A 816 5.886 9.806 1.553 1.00 19.91 N ATOM 789 CE2 TRP A 816 5.855 8.436 1.581 1.00 20.13 C ATOM 790 CE3 TRP A 816 6.006 6.672 3.235 1.00 17.59 C ATOM 791 CZ2 TRP A 816 5.778 7.509 0.535 1.00 20.49 C ATOM 792 CZ3 TRP A 816 5.923 5.748 2.195 1.00 20.47 C ATOM 793 CH2 TRP A 816 5.795 6.170 0.866 1.00 21.22 C ATOM 794 HE1 TRP A 816 5.863 10.394 0.695 1.00 0.00 H ATOM 795 H TRP A 816 7.204 9.546 7.570 1.00 0.00 H ATOM 796 N ARG A 817 8.792 11.176 5.163 1.00 15.03 N ATOM 797 CA ARG A 817 9.692 12.064 4.408 1.00 14.22 C ATOM 798 C ARG A 817 11.129 11.589 4.535 1.00 17.09 C ATOM 799 O ARG A 817 11.882 11.685 3.572 1.00 17.31 O ATOM 800 CB ARG A 817 9.606 13.477 4.960 1.00 14.15 C ATOM 801 CG ARG A 817 8.268 14.140 4.638 1.00 15.37 C ATOM 802 CD ARG A 817 8.321 15.638 4.952 1.00 17.36 C ATOM 803 NE ARG A 817 8.626 15.926 6.360 1.00 15.28 N ATOM 804 CZ ARG A 817 7.742 15.930 7.357 1.00 17.23 C ATOM 805 NH1 ARG A 817 6.469 15.582 7.135 1.00 15.78 N ATOM 806 NH2 ARG A 817 8.125 16.246 8.587 1.00 15.25 N ATOM 807 HE ARG A 817 9.614 16.145 6.598 1.00 0.00 H ATOM 808 HH12 ARG A 817 5.784 15.587 7.918 1.00 0.00 H ATOM 809 HH11 ARG A 817 6.164 15.306 6.180 1.00 0.00 H ATOM 810 HH22 ARG A 817 7.432 16.248 9.363 1.00 0.00 H ATOM 811 HH21 ARG A 817 9.118 16.492 8.776 1.00 0.00 H ATOM 812 H ARG A 817 8.254 11.528 5.980 1.00 0.00 H ATOM 813 N SER A 818 11.515 11.095 5.731 1.00 13.73 N ATOM 814 CA SER A 818 12.893 10.617 5.928 1.00 14.46 C ATOM 815 C SER A 818 13.191 9.445 5.000 1.00 16.77 C ATOM 816 O SER A 818 14.284 9.366 4.390 1.00 18.27 O ATOM 817 CB SER A 818 13.110 10.238 7.390 1.00 16.88 C ATOM 818 OG SER A 818 12.843 11.372 8.214 1.00 16.27 O ATOM 819 HG SER A 818 11.906 11.662 8.081 1.00 0.00 H ATOM 820 H SER A 818 10.835 11.052 6.517 1.00 0.00 H ATOM 821 N TYR A 819 12.207 8.543 4.861 1.00 15.55 N ATOM 822 CA TYR A 819 12.321 7.355 4.000 1.00 16.36 C ATOM 823 C TYR A 819 12.371 7.772 2.544 1.00 19.53 C ATOM 824 O TYR A 819 13.274 7.354 1.808 1.00 19.50 O ATOM 825 CB TYR A 819 11.089 6.472 4.282 1.00 16.43 C ATOM 826 CG TYR A 819 10.771 5.397 3.261 1.00 18.02 C ATOM 827 CD1 TYR A 819 11.700 4.411 2.945 1.00 21.49 C ATOM 828 CD2 TYR A 819 9.494 5.289 2.724 1.00 19.04 C ATOM 829 CE1 TYR A 819 11.376 3.370 2.069 1.00 22.06 C ATOM 830 CE2 TYR A 819 9.166 4.271 1.835 1.00 21.74 C ATOM 831 CZ TYR A 819 10.094 3.300 1.539 1.00 27.12 C ATOM 832 OH TYR A 819 9.717 2.289 0.685 1.00 33.11 O ATOM 833 HH TYR A 819 8.947 1.802 1.072 1.00 0.00 H ATOM 834 H TYR A 819 11.322 8.691 5.387 1.00 0.00 H ATOM 835 N LYS A 820 11.390 8.552 2.116 1.00 16.37 N ATOM 836 CA LYS A 820 11.301 8.957 0.711 1.00 17.69 C ATOM 837 C LYS A 820 12.486 9.781 0.213 1.00 20.90 C ATOM 838 O LYS A 820 13.008 9.522 -0.874 1.00 22.59 O ATOM 839 CB LYS A 820 9.971 9.709 0.481 1.00 21.51 C ATOM 840 CG LYS A 820 9.711 10.061 -0.990 1.00 30.80 C ATOM 841 CD LYS A 820 8.543 11.016 -1.157 1.00 41.52 C ATOM 842 CE LYS A 820 8.369 11.462 -2.591 1.00 54.48 C ATOM 843 NZ LYS A 820 7.906 10.352 -3.466 1.00 64.00 N ATOM 844 HZ1 LYS A 820 8.605 9.582 -3.447 1.00 0.00 H ATOM 845 HZ2 LYS A 820 6.990 9.999 -3.121 1.00 0.00 H ATOM 846 HZ3 LYS A 820 7.800 10.701 -4.440 1.00 0.00 H ATOM 847 H LYS A 820 10.670 8.883 2.789 1.00 0.00 H ATOM 848 N HIS A 821 12.885 10.776 0.984 1.00 17.96 N ATOM 849 CA HIS A 821 13.893 11.735 0.549 1.00 19.71 C ATOM 850 C HIS A 821 15.313 11.379 0.892 1.00 24.12 C ATOM 851 O HIS A 821 16.216 11.909 0.221 1.00 24.46 O ATOM 852 CB HIS A 821 13.555 13.122 1.089 1.00 21.57 C ATOM 853 CG HIS A 821 12.253 13.639 0.589 1.00 26.01 C ATOM 854 ND1 HIS A 821 12.051 13.905 -0.757 1.00 29.94 N ATOM 855 CD2 HIS A 821 11.114 13.913 1.267 1.00 27.59 C ATOM 856 CE1 HIS A 821 10.793 14.317 -0.854 1.00 29.75 C ATOM 857 NE2 HIS A 821 10.199 14.363 0.342 1.00 28.77 N ATOM 858 H HIS A 821 12.467 10.879 1.931 1.00 0.00 H ATOM 859 N THR A 822 15.550 10.543 1.933 1.00 19.44 N ATOM 860 CA THR A 822 16.927 10.204 2.307 1.00 19.60 C ATOM 861 C THR A 822 17.192 8.703 2.431 1.00 23.48 C ATOM 862 O THR A 822 18.280 8.327 2.867 1.00 24.37 O ATOM 863 CB THR A 822 17.340 10.922 3.612 1.00 21.72 C ATOM 864 OG1 THR A 822 16.836 10.193 4.739 1.00 20.84 O ATOM 865 CG2 THR A 822 16.886 12.399 3.678 1.00 23.20 C ATOM 866 HG1 THR A 822 15.849 10.147 4.686 1.00 0.00 H ATOM 867 H THR A 822 14.753 10.141 2.467 1.00 0.00 H ATOM 868 N ASN A 823 16.205 7.841 2.088 1.00 20.26 N ATOM 869 CA ASN A 823 16.274 6.387 2.303 1.00 20.44 C ATOM 870 C ASN A 823 16.516 6.085 3.792 1.00 23.47 C ATOM 871 O ASN A 823 17.226 5.134 4.162 1.00 25.60 O ATOM 872 CB ASN A 823 17.297 5.685 1.392 1.00 22.60 C ATOM 873 CG ASN A 823 17.055 4.198 1.309 1.00 38.15 C ATOM 874 OD1 ASN A 823 17.980 3.373 1.419 1.00 38.83 O ATOM 875 ND2 ASN A 823 15.803 3.823 1.145 1.00 27.19 N ATOM 876 HD22 ASN A 823 15.053 4.538 1.056 1.00 0.00 H ATOM 877 HD21 ASN A 823 15.564 2.812 1.104 1.00 0.00 H ATOM 878 H ASN A 823 15.347 8.230 1.646 1.00 0.00 H ATOM 879 N SER A 824 15.941 6.948 4.653 1.00 20.13 N ATOM 880 CA SER A 824 15.995 6.851 6.110 1.00 19.69 C ATOM 881 C SER A 824 17.414 7.002 6.670 1.00 25.18 C ATOM 882 O SER A 824 17.688 6.555 7.778 1.00 27.27 O ATOM 883 CB SER A 824 15.309 5.581 6.599 1.00 21.35 C ATOM 884 OG SER A 824 13.959 5.609 6.148 1.00 22.79 O ATOM 885 HG SER A 824 13.493 4.791 6.455 1.00 0.00 H ATOM 886 H SER A 824 15.416 7.749 4.247 1.00 0.00 H ATOM 887 N GLN A 825 18.265 7.725 5.954 1.00 19.59 N ATOM 888 CA GLN A 825 19.595 8.013 6.464 1.00 20.89 C ATOM 889 C GLN A 825 19.566 9.177 7.449 1.00 23.96 C ATOM 890 O GLN A 825 20.402 9.230 8.351 1.00 25.70 O ATOM 891 CB GLN A 825 20.548 8.334 5.308 1.00 23.82 C ATOM 892 CG GLN A 825 20.920 7.110 4.485 1.00 38.36 C ATOM 893 CD GLN A 825 21.864 7.462 3.366 1.00 68.78 C ATOM 894 OE1 GLN A 825 22.789 8.273 3.521 1.00 66.11 O ATOM 895 NE2 GLN A 825 21.655 6.850 2.212 1.00 65.26 N ATOM 896 HE22 GLN A 825 20.870 6.175 2.116 1.00 0.00 H ATOM 897 HE21 GLN A 825 22.276 7.044 1.401 1.00 0.00 H ATOM 898 H GLN A 825 17.979 8.088 5.022 1.00 0.00 H ATOM 899 N PHE A 826 18.639 10.136 7.251 1.00 18.96 N ATOM 900 CA PHE A 826 18.534 11.328 8.090 1.00 17.74 C ATOM 901 C PHE A 826 17.081 11.580 8.464 1.00 19.48 C ATOM 902 O PHE A 826 16.195 10.963 7.887 1.00 22.14 O ATOM 903 CB PHE A 826 19.027 12.561 7.303 1.00 19.73 C ATOM 904 CG PHE A 826 20.447 12.466 6.811 1.00 22.75 C ATOM 905 CD1 PHE A 826 21.508 12.543 7.698 1.00 26.64 C ATOM 906 CD2 PHE A 826 20.718 12.262 5.459 1.00 25.63 C ATOM 907 CE1 PHE A 826 22.826 12.424 7.250 1.00 27.69 C ATOM 908 CE2 PHE A 826 22.043 12.162 5.007 1.00 29.13 C ATOM 909 CZ PHE A 826 23.081 12.221 5.912 1.00 28.60 C ATOM 910 H PHE A 826 17.968 10.022 6.465 1.00 0.00 H ATOM 911 N LEU A 827 16.840 12.480 9.421 1.00 16.80 N ATOM 912 CA LEU A 827 15.474 12.874 9.762 1.00 16.25 C ATOM 913 C LEU A 827 15.115 14.121 8.945 1.00 18.46 C ATOM 914 O LEU A 827 15.662 15.217 9.182 1.00 17.78 O ATOM 915 CB LEU A 827 15.290 13.127 11.270 1.00 16.91 C ATOM 916 CG LEU A 827 15.387 11.861 12.125 1.00 21.51 C ATOM 917 CD1 LEU A 827 15.464 12.223 13.599 1.00 23.25 C ATOM 918 CD2 LEU A 827 14.164 10.947 11.905 1.00 23.35 C ATOM 919 H LEU A 827 17.638 12.908 9.933 1.00 0.00 H ATOM 920 N TYR A 828 14.199 13.940 7.956 1.00 14.77 N ATOM 921 CA TYR A 828 13.832 15.003 7.026 1.00 14.34 C ATOM 922 C TYR A 828 12.671 15.797 7.580 1.00 15.65 C ATOM 923 O TYR A 828 11.504 15.547 7.250 1.00 16.05 O ATOM 924 CB TYR A 828 13.546 14.400 5.653 1.00 15.10 C ATOM 925 CG TYR A 828 13.489 15.371 4.496 1.00 14.28 C ATOM 926 CD1 TYR A 828 12.322 16.075 4.210 1.00 15.91 C ATOM 927 CD2 TYR A 828 14.564 15.499 3.617 1.00 16.45 C ATOM 928 CE1 TYR A 828 12.237 16.900 3.093 1.00 16.36 C ATOM 929 CE2 TYR A 828 14.491 16.329 2.499 1.00 17.94 C ATOM 930 CZ TYR A 828 13.320 17.029 2.246 1.00 19.86 C ATOM 931 OH TYR A 828 13.189 17.823 1.125 1.00 21.30 O ATOM 932 HH TYR A 828 12.290 18.237 1.119 1.00 0.00 H ATOM 933 H TYR A 828 13.744 13.010 7.859 1.00 0.00 H ATOM 934 N PHE A 829 12.974 16.693 8.550 1.00 15.09 N ATOM 935 CA PHE A 829 11.877 17.503 9.097 1.00 14.43 C ATOM 936 C PHE A 829 11.211 18.365 8.019 1.00 15.42 C ATOM 937 O PHE A 829 9.980 18.466 7.952 1.00 15.15 O ATOM 938 CB PHE A 829 12.351 18.373 10.267 1.00 15.37 C ATOM 939 CG PHE A 829 12.638 17.546 11.494 1.00 15.49 C ATOM 940 CD1 PHE A 829 13.901 17.012 11.709 1.00 17.81 C ATOM 941 CD2 PHE A 829 11.648 17.300 12.443 1.00 16.15 C ATOM 942 CE1 PHE A 829 14.165 16.214 12.837 1.00 17.72 C ATOM 943 CE2 PHE A 829 11.933 16.567 13.602 1.00 16.92 C ATOM 944 CZ PHE A 829 13.196 16.021 13.792 1.00 16.14 C ATOM 945 H PHE A 829 13.949 16.804 8.895 1.00 0.00 H ATOM 946 N ALA A 830 12.043 18.987 7.190 1.00 15.03 N ATOM 947 CA ALA A 830 11.572 19.862 6.120 1.00 15.50 C ATOM 948 C ALA A 830 12.744 20.005 5.128 1.00 17.22 C ATOM 949 O ALA A 830 13.887 19.645 5.470 1.00 16.07 O ATOM 950 CB ALA A 830 11.196 21.229 6.705 1.00 17.11 C ATOM 951 H ALA A 830 13.067 18.845 7.308 1.00 0.00 H ATOM 952 N PRO A 831 12.525 20.513 3.885 1.00 15.88 N ATOM 953 CA PRO A 831 13.659 20.624 2.945 1.00 16.61 C ATOM 954 C PRO A 831 14.821 21.437 3.496 1.00 17.87 C ATOM 955 O PRO A 831 15.989 21.167 3.177 1.00 18.60 O ATOM 956 CB PRO A 831 13.059 21.334 1.729 1.00 17.98 C ATOM 957 CG PRO A 831 11.579 21.022 1.796 1.00 21.01 C ATOM 958 CD PRO A 831 11.234 20.930 3.274 1.00 17.63 C ATOM 959 N ASP A 832 14.480 22.450 4.326 1.00 17.28 N ATOM 960 CA ASP A 832 15.443 23.371 4.939 1.00 17.79 C ATOM 961 C ASP A 832 15.868 22.949 6.354 1.00 20.62 C ATOM 962 O ASP A 832 16.610 23.678 7.010 1.00 20.64 O ATOM 963 CB ASP A 832 14.868 24.809 4.966 1.00 18.20 C ATOM 964 CG ASP A 832 13.558 24.997 5.723 1.00 20.38 C ATOM 965 OD1 ASP A 832 12.781 24.030 5.820 1.00 17.75 O ATOM 966 OD2 ASP A 832 13.321 26.117 6.237 1.00 22.61 O ATOM 967 H ASP A 832 13.472 22.584 4.543 1.00 0.00 H ATOM 968 N LEU A 833 15.470 21.745 6.793 1.00 17.82 N ATOM 969 CA LEU A 833 15.820 21.259 8.124 1.00 17.99 C ATOM 970 C LEU A 833 15.919 19.728 8.136 1.00 18.10 C ATOM 971 O LEU A 833 14.915 19.007 8.354 1.00 17.15 O ATOM 972 CB LEU A 833 14.865 21.780 9.189 1.00 18.18 C ATOM 973 CG LEU A 833 15.277 21.471 10.651 1.00 22.02 C ATOM 974 CD1 LEU A 833 16.743 21.949 10.984 1.00 22.47 C ATOM 975 CD2 LEU A 833 14.255 21.989 11.613 1.00 24.77 C ATOM 976 H LEU A 833 14.897 21.142 6.168 1.00 0.00 H ATOM 977 N VAL A 834 17.135 19.249 7.868 1.00 18.47 N ATOM 978 CA VAL A 834 17.427 17.816 7.808 1.00 17.65 C ATOM 979 C VAL A 834 18.423 17.520 8.917 1.00 20.81 C ATOM 980 O VAL A 834 19.494 18.151 8.959 1.00 21.11 O ATOM 981 CB VAL A 834 17.914 17.389 6.404 1.00 20.23 C ATOM 982 CG1 VAL A 834 18.162 15.890 6.342 1.00 20.75 C ATOM 983 CG2 VAL A 834 16.896 17.826 5.329 1.00 19.77 C ATOM 984 H VAL A 834 17.908 19.922 7.694 1.00 0.00 H ATOM 985 N PHE A 835 18.045 16.627 9.857 1.00 18.47 N ATOM 986 CA PHE A 835 18.927 16.353 10.998 1.00 18.84 C ATOM 987 C PHE A 835 19.944 15.284 10.718 1.00 23.55 C ATOM 988 O PHE A 835 19.594 14.195 10.239 1.00 23.46 O ATOM 989 CB PHE A 835 18.118 15.906 12.226 1.00 19.60 C ATOM 990 CG PHE A 835 17.559 16.959 13.145 1.00 19.00 C ATOM 991 CD1 PHE A 835 17.156 18.198 12.655 1.00 20.37 C ATOM 992 CD2 PHE A 835 17.332 16.676 14.488 1.00 20.76 C ATOM 993 CE1 PHE A 835 16.630 19.173 13.520 1.00 21.81 C ATOM 994 CE2 PHE A 835 16.792 17.635 15.345 1.00 22.44 C ATOM 995 CZ PHE A 835 16.450 18.886 14.863 1.00 21.12 C ATOM 996 H PHE A 835 17.132 16.135 9.773 1.00 0.00 H ATOM 997 N ASN A 836 21.169 15.577 11.133 1.00 20.35 N ATOM 998 CA ASN A 836 22.315 14.667 11.150 1.00 19.78 C ATOM 999 C ASN A 836 22.550 14.405 12.653 1.00 21.24 C ATOM 1000 O ASN A 836 21.800 14.914 13.495 1.00 19.98 O ATOM 1001 CB ASN A 836 23.547 15.314 10.483 1.00 23.14 C ATOM 1002 CG ASN A 836 23.941 16.693 10.980 1.00 29.77 C ATOM 1003 OD1 ASN A 836 23.301 17.275 11.865 1.00 22.18 O ATOM 1004 ND2 ASN A 836 25.025 17.264 10.409 1.00 27.78 N ATOM 1005 HD22 ASN A 836 25.549 16.758 9.667 1.00 0.00 H ATOM 1006 HD21 ASN A 836 25.335 18.209 10.712 1.00 0.00 H ATOM 1007 H ASN A 836 21.330 16.544 11.479 1.00 0.00 H ATOM 1008 N GLU A 837 23.617 13.655 12.988 1.00 20.27 N ATOM 1009 CA GLU A 837 23.963 13.395 14.391 1.00 19.16 C ATOM 1010 C GLU A 837 24.138 14.677 15.164 1.00 21.20 C ATOM 1011 O GLU A 837 23.668 14.759 16.295 1.00 21.88 O ATOM 1012 CB GLU A 837 25.303 12.634 14.433 1.00 21.05 C ATOM 1013 CG GLU A 837 25.177 11.202 13.944 1.00 28.75 C ATOM 1014 CD GLU A 837 24.438 10.240 14.852 1.00 42.39 C ATOM 1015 OE1 GLU A 837 24.602 10.320 16.093 1.00 26.57 O ATOM 1016 OE2 GLU A 837 23.700 9.387 14.311 1.00 46.11 O ATOM 1017 H GLU A 837 24.210 13.250 12.235 1.00 0.00 H ATOM 1018 N GLU A 838 24.810 15.681 14.558 1.00 20.46 N ATOM 1019 CA GLU A 838 25.030 16.977 15.193 1.00 20.44 C ATOM 1020 C GLU A 838 23.701 17.611 15.660 1.00 21.85 C ATOM 1021 O GLU A 838 23.583 17.975 16.824 1.00 21.37 O ATOM 1022 CB GLU A 838 25.768 17.918 14.231 1.00 22.89 C ATOM 1023 CG GLU A 838 25.973 19.325 14.776 1.00 26.45 C ATOM 1024 CD GLU A 838 26.925 19.507 15.942 1.00 40.03 C ATOM 1025 OE1 GLU A 838 27.095 20.662 16.391 1.00 37.68 O ATOM 1026 OE2 GLU A 838 27.505 18.502 16.406 1.00 33.34 O ATOM 1027 H GLU A 838 25.185 15.524 13.601 1.00 0.00 H ATOM 1028 N LYS A 839 22.718 17.720 14.779 1.00 18.48 N ATOM 1029 CA LYS A 839 21.435 18.339 15.166 1.00 18.65 C ATOM 1030 C LYS A 839 20.635 17.499 16.161 1.00 20.85 C ATOM 1031 O LYS A 839 20.005 18.050 17.079 1.00 20.12 O ATOM 1032 CB LYS A 839 20.603 18.652 13.935 1.00 20.18 C ATOM 1033 CG LYS A 839 21.247 19.705 13.048 1.00 24.34 C ATOM 1034 CD LYS A 839 20.715 21.091 13.278 1.00 42.43 C ATOM 1035 CE LYS A 839 20.494 21.807 11.961 1.00 51.66 C ATOM 1036 NZ LYS A 839 21.756 21.980 11.188 1.00 58.08 N ATOM 1037 HZ1 LYS A 839 22.430 22.539 11.748 1.00 0.00 H ATOM 1038 HZ2 LYS A 839 22.165 21.047 10.981 1.00 0.00 H ATOM 1039 HZ3 LYS A 839 21.550 22.475 10.297 1.00 0.00 H ATOM 1040 H LYS A 839 22.851 17.368 13.810 1.00 0.00 H ATOM 1041 N MET A 840 20.726 16.169 16.045 1.00 18.31 N ATOM 1042 CA MET A 840 20.085 15.302 17.026 1.00 18.68 C ATOM 1043 C MET A 840 20.615 15.600 18.434 1.00 20.11 C ATOM 1044 O MET A 840 19.821 15.706 19.376 1.00 20.62 O ATOM 1045 CB MET A 840 20.348 13.848 16.685 1.00 20.28 C ATOM 1046 CG MET A 840 19.581 13.419 15.489 1.00 22.96 C ATOM 1047 SD MET A 840 20.021 11.754 14.969 1.00 29.63 S ATOM 1048 CE MET A 840 19.688 10.790 16.403 1.00 28.66 C ATOM 1049 H MET A 840 21.256 15.753 15.253 1.00 0.00 H ATOM 1050 N HIS A 841 21.942 15.776 18.577 1.00 18.72 N ATOM 1051 CA HIS A 841 22.502 16.137 19.882 1.00 17.97 C ATOM 1052 C HIS A 841 22.092 17.549 20.279 1.00 22.51 C ATOM 1053 O HIS A 841 21.708 17.758 21.429 1.00 23.98 O ATOM 1054 CB HIS A 841 24.032 16.038 19.873 1.00 19.25 C ATOM 1055 CG HIS A 841 24.498 14.627 19.915 1.00 22.21 C ATOM 1056 ND1 HIS A 841 24.317 13.850 21.041 1.00 23.62 N ATOM 1057 CD2 HIS A 841 25.173 13.910 18.986 1.00 22.86 C ATOM 1058 CE1 HIS A 841 24.883 12.686 20.764 1.00 23.40 C ATOM 1059 NE2 HIS A 841 25.383 12.670 19.527 1.00 22.93 N ATOM 1060 H HIS A 841 22.572 15.655 17.758 1.00 0.00 H ATOM 1061 N GLN A 842 22.211 18.514 19.345 1.00 21.08 N ATOM 1062 CA GLN A 842 21.952 19.928 19.641 1.00 21.18 C ATOM 1063 C GLN A 842 20.520 20.168 20.071 1.00 22.55 C ATOM 1064 O GLN A 842 20.296 21.033 20.926 1.00 24.85 O ATOM 1065 CB GLN A 842 22.299 20.846 18.461 1.00 23.73 C ATOM 1066 CG GLN A 842 23.793 20.905 18.131 1.00 27.40 C ATOM 1067 CD GLN A 842 24.069 21.760 16.908 1.00 43.17 C ATOM 1068 OE1 GLN A 842 23.388 21.662 15.876 1.00 37.52 O ATOM 1069 NE2 GLN A 842 25.079 22.628 16.995 1.00 35.66 N ATOM 1070 HE22 GLN A 842 25.636 22.692 17.871 1.00 0.00 H ATOM 1071 HE21 GLN A 842 25.309 23.241 16.187 1.00 0.00 H ATOM 1072 H GLN A 842 22.496 18.247 18.381 1.00 0.00 H ATOM 1073 N SER A 843 19.574 19.359 19.572 1.00 19.56 N ATOM 1074 CA SER A 843 18.141 19.524 19.866 1.00 18.46 C ATOM 1075 C SER A 843 17.765 19.179 21.309 1.00 23.01 C ATOM 1076 O SER A 843 16.624 19.443 21.711 1.00 23.61 O ATOM 1077 CB SER A 843 17.341 18.625 18.934 1.00 20.04 C ATOM 1078 OG SER A 843 17.520 17.271 19.320 1.00 21.78 O ATOM 1079 HG SER A 843 18.480 17.037 19.263 1.00 0.00 H ATOM 1080 H SER A 843 19.866 18.579 18.949 1.00 0.00 H ATOM 1081 N ALA A 844 18.672 18.506 22.040 1.00 21.50 N ATOM 1082 CA ALA A 844 18.466 17.978 23.397 1.00 22.12 C ATOM 1083 C ALA A 844 17.422 16.843 23.377 1.00 24.10 C ATOM 1084 O ALA A 844 16.877 16.460 24.420 1.00 25.17 O ATOM 1085 CB ALA A 844 18.081 19.086 24.379 1.00 23.19 C ATOM 1086 H ALA A 844 19.603 18.345 21.606 1.00 0.00 H ATOM 1087 N MET A 845 17.214 16.249 22.196 1.00 20.72 N ATOM 1088 CA MET A 845 16.278 15.140 21.988 1.00 19.77 C ATOM 1089 C MET A 845 16.958 13.961 21.310 1.00 22.79 C ATOM 1090 O MET A 845 16.296 13.198 20.606 1.00 21.57 O ATOM 1091 CB MET A 845 15.097 15.592 21.081 1.00 21.31 C ATOM 1092 CG MET A 845 14.326 16.702 21.600 1.00 22.98 C ATOM 1093 SD MET A 845 12.839 16.950 20.616 1.00 21.82 S ATOM 1094 CE MET A 845 12.048 15.295 20.670 1.00 20.64 C ATOM 1095 H MET A 845 17.750 16.596 21.375 1.00 0.00 H ATOM 1096 N TYR A 846 18.272 13.767 21.564 1.00 21.20 N ATOM 1097 CA TYR A 846 19.019 12.727 20.862 1.00 19.66 C ATOM 1098 C TYR A 846 18.368 11.351 20.888 1.00 21.14 C ATOM 1099 O TYR A 846 18.164 10.762 19.827 1.00 20.86 O ATOM 1100 CB TYR A 846 20.465 12.641 21.382 1.00 21.60 C ATOM 1101 CG TYR A 846 21.321 11.684 20.585 1.00 23.59 C ATOM 1102 CD1 TYR A 846 21.854 12.057 19.354 1.00 24.11 C ATOM 1103 CD2 TYR A 846 21.539 10.380 21.022 1.00 25.78 C ATOM 1104 CE1 TYR A 846 22.592 11.167 18.586 1.00 23.87 C ATOM 1105 CE2 TYR A 846 22.331 9.494 20.287 1.00 27.55 C ATOM 1106 CZ TYR A 846 22.856 9.895 19.067 1.00 31.30 C ATOM 1107 OH TYR A 846 23.579 9.026 18.292 1.00 31.52 O ATOM 1108 HH TYR A 846 23.869 9.486 17.465 1.00 0.00 H ATOM 1109 H TYR A 846 18.755 14.364 22.266 1.00 0.00 H ATOM 1110 N GLU A 847 18.058 10.824 22.085 1.00 20.21 N ATOM 1111 CA GLU A 847 17.458 9.485 22.190 1.00 20.88 C ATOM 1112 C GLU A 847 16.086 9.398 21.536 1.00 21.72 C ATOM 1113 O GLU A 847 15.776 8.399 20.869 1.00 21.34 O ATOM 1114 CB GLU A 847 17.409 8.996 23.649 1.00 23.26 C ATOM 1115 CG GLU A 847 18.783 8.664 24.207 1.00 35.99 C ATOM 1116 CD GLU A 847 18.823 8.100 25.617 1.00 67.99 C ATOM 1117 OE1 GLU A 847 17.801 7.535 26.072 1.00 67.89 O ATOM 1118 OE2 GLU A 847 19.890 8.211 26.265 1.00 65.37 O ATOM 1119 H GLU A 847 18.245 11.371 22.950 1.00 0.00 H ATOM 1120 N LEU A 848 15.280 10.471 21.650 1.00 19.44 N ATOM 1121 CA LEU A 848 13.987 10.493 20.961 1.00 18.27 C ATOM 1122 C LEU A 848 14.180 10.506 19.426 1.00 19.44 C ATOM 1123 O LEU A 848 13.449 9.819 18.711 1.00 20.65 O ATOM 1124 CB LEU A 848 13.098 11.670 21.442 1.00 19.13 C ATOM 1125 CG LEU A 848 12.631 11.512 22.907 1.00 23.38 C ATOM 1126 CD1 LEU A 848 12.102 12.816 23.484 1.00 22.71 C ATOM 1127 CD2 LEU A 848 11.555 10.477 23.015 1.00 24.99 C ATOM 1128 H LEU A 848 15.575 11.284 22.227 1.00 0.00 H ATOM 1129 N CYS A 849 15.192 11.246 18.929 1.00 18.83 N ATOM 1130 CA CYS A 849 15.481 11.263 17.479 1.00 19.55 C ATOM 1131 C CYS A 849 15.904 9.852 17.021 1.00 22.65 C ATOM 1132 O CYS A 849 15.533 9.439 15.925 1.00 21.91 O ATOM 1133 CB CYS A 849 16.569 12.277 17.157 1.00 20.16 C ATOM 1134 SG CYS A 849 16.026 13.991 17.218 1.00 23.51 S ATOM 1135 H CYS A 849 15.778 11.813 19.575 1.00 0.00 H ATOM 1136 N GLN A 850 16.674 9.120 17.854 1.00 20.74 N ATOM 1137 CA GLN A 850 17.072 7.751 17.516 1.00 20.69 C ATOM 1138 C GLN A 850 15.850 6.824 17.447 1.00 23.23 C ATOM 1139 O GLN A 850 15.781 5.968 16.562 1.00 22.53 O ATOM 1140 CB GLN A 850 18.121 7.209 18.492 1.00 22.46 C ATOM 1141 CG GLN A 850 19.559 7.673 18.220 1.00 38.39 C ATOM 1142 CD GLN A 850 20.215 7.118 16.966 1.00 57.94 C ATOM 1143 OE1 GLN A 850 21.120 7.736 16.397 1.00 55.55 O ATOM 1144 NE2 GLN A 850 19.806 5.938 16.511 1.00 51.68 N ATOM 1145 HE22 GLN A 850 19.043 5.428 17.000 1.00 0.00 H ATOM 1146 HE21 GLN A 850 20.249 5.524 15.666 1.00 0.00 H ATOM 1147 H GLN A 850 16.991 9.536 18.753 1.00 0.00 H ATOM 1148 N GLY A 851 14.876 7.050 18.335 1.00 20.19 N ATOM 1149 CA GLY A 851 13.614 6.311 18.352 1.00 19.86 C ATOM 1150 C GLY A 851 12.843 6.545 17.065 1.00 21.80 C ATOM 1151 O GLY A 851 12.314 5.608 16.445 1.00 21.79 O ATOM 1152 H GLY A 851 15.024 7.790 19.051 1.00 0.00 H ATOM 1153 N MET A 852 12.818 7.819 16.619 1.00 19.14 N ATOM 1154 CA MET A 852 12.169 8.177 15.380 1.00 19.58 C ATOM 1155 C MET A 852 12.866 7.533 14.192 1.00 22.74 C ATOM 1156 O MET A 852 12.211 7.014 13.289 1.00 22.20 O ATOM 1157 CB MET A 852 12.167 9.716 15.226 1.00 21.30 C ATOM 1158 CG MET A 852 11.336 10.180 14.084 1.00 24.67 C ATOM 1159 SD MET A 852 9.588 10.149 14.590 1.00 26.72 S ATOM 1160 CE MET A 852 9.041 8.652 13.809 1.00 24.45 C ATOM 1161 H MET A 852 13.278 8.562 17.183 1.00 0.00 H ATOM 1162 N HIS A 853 14.216 7.590 14.162 1.00 20.39 N ATOM 1163 CA HIS A 853 14.995 6.991 13.088 1.00 21.48 C ATOM 1164 C HIS A 853 14.685 5.474 12.966 1.00 24.03 C ATOM 1165 O HIS A 853 14.615 4.960 11.852 1.00 24.36 O ATOM 1166 CB HIS A 853 16.497 7.239 13.358 1.00 24.40 C ATOM 1167 CG HIS A 853 17.397 6.720 12.290 1.00 28.75 C ATOM 1168 ND1 HIS A 853 18.370 5.770 12.565 1.00 32.21 N ATOM 1169 CD2 HIS A 853 17.463 7.041 10.978 1.00 31.25 C ATOM 1170 CE1 HIS A 853 18.986 5.543 11.416 1.00 32.43 C ATOM 1171 NE2 HIS A 853 18.478 6.282 10.436 1.00 32.29 N ATOM 1172 H HIS A 853 14.715 8.078 14.933 1.00 0.00 H ATOM 1173 N GLN A 854 14.424 4.771 14.103 1.00 22.11 N ATOM 1174 CA GLN A 854 14.091 3.340 14.083 1.00 23.58 C ATOM 1175 C GLN A 854 12.774 3.083 13.340 1.00 25.16 C ATOM 1176 O GLN A 854 12.671 2.081 12.625 1.00 25.74 O ATOM 1177 CB GLN A 854 14.084 2.725 15.495 1.00 26.28 C ATOM 1178 CG GLN A 854 15.467 2.559 16.121 1.00 37.04 C ATOM 1179 CD GLN A 854 16.344 1.590 15.354 1.00 53.38 C ATOM 1180 OE1 GLN A 854 15.997 0.420 15.148 1.00 51.05 O ATOM 1181 NE2 GLN A 854 17.496 2.062 14.910 1.00 43.92 N ATOM 1182 HE22 GLN A 854 17.761 3.050 15.099 1.00 0.00 H ATOM 1183 HE21 GLN A 854 18.138 1.445 14.372 1.00 0.00 H ATOM 1184 H GLN A 854 14.462 5.264 15.018 1.00 0.00 H ATOM 1185 N ILE A 855 11.788 4.011 13.426 1.00 20.49 N ATOM 1186 CA ILE A 855 10.559 3.842 12.651 1.00 19.90 C ATOM 1187 C ILE A 855 10.875 4.023 11.153 1.00 22.13 C ATOM 1188 O ILE A 855 10.424 3.228 10.323 1.00 21.42 O ATOM 1189 CB ILE A 855 9.439 4.842 13.126 1.00 22.13 C ATOM 1190 CG1 ILE A 855 9.126 4.629 14.628 1.00 23.20 C ATOM 1191 CG2 ILE A 855 8.187 4.792 12.220 1.00 23.36 C ATOM 1192 CD1 ILE A 855 8.305 3.317 14.980 1.00 26.05 C ATOM 1193 H ILE A 855 11.906 4.841 14.042 1.00 0.00 H ATOM 1194 N SER A 856 11.679 5.054 10.792 1.00 19.23 N ATOM 1195 CA SER A 856 11.981 5.236 9.388 1.00 19.30 C ATOM 1196 C SER A 856 12.744 4.032 8.815 1.00 21.48 C ATOM 1197 O SER A 856 12.548 3.669 7.655 1.00 22.06 O ATOM 1198 CB SER A 856 12.727 6.540 9.143 1.00 25.03 C ATOM 1199 OG SER A 856 14.002 6.481 9.741 1.00 34.47 O ATOM 1200 HG SER A 856 14.481 7.332 9.578 1.00 0.00 H ATOM 1201 H SER A 856 12.070 5.699 11.508 1.00 0.00 H ATOM 1202 N LEU A 857 13.568 3.376 9.652 1.00 19.10 N ATOM 1203 CA LEU A 857 14.273 2.171 9.222 1.00 20.03 C ATOM 1204 C LEU A 857 13.305 1.016 8.947 1.00 20.96 C ATOM 1205 O LEU A 857 13.552 0.203 8.037 1.00 21.92 O ATOM 1206 CB LEU A 857 15.357 1.784 10.235 1.00 21.60 C ATOM 1207 CG LEU A 857 16.592 2.705 10.290 1.00 28.40 C ATOM 1208 CD1 LEU A 857 17.515 2.279 11.413 1.00 29.75 C ATOM 1209 CD2 LEU A 857 17.370 2.699 8.946 1.00 28.88 C ATOM 1210 H LEU A 857 13.705 3.732 10.619 1.00 0.00 H ATOM 1211 N GLN A 858 12.176 0.962 9.698 1.00 19.90 N ATOM 1212 CA GLN A 858 11.159 -0.051 9.432 1.00 19.98 C ATOM 1213 C GLN A 858 10.488 0.211 8.074 1.00 20.57 C ATOM 1214 O GLN A 858 10.147 -0.743 7.375 1.00 21.43 O ATOM 1215 CB GLN A 858 10.122 -0.125 10.559 1.00 21.64 C ATOM 1216 CG GLN A 858 10.716 -0.507 11.906 1.00 29.24 C ATOM 1217 CD GLN A 858 11.218 -1.929 11.882 1.00 57.18 C ATOM 1218 OE1 GLN A 858 10.579 -2.826 11.328 1.00 49.54 O ATOM 1219 NE2 GLN A 858 12.382 -2.159 12.461 1.00 60.94 N ATOM 1220 HE22 GLN A 858 12.897 -1.381 12.920 1.00 0.00 H ATOM 1221 HE21 GLN A 858 12.784 -3.118 12.458 1.00 0.00 H ATOM 1222 H GLN A 858 12.034 1.647 10.468 1.00 0.00 H ATOM 1223 N PHE A 859 10.352 1.490 7.667 1.00 18.24 N ATOM 1224 CA PHE A 859 9.770 1.780 6.353 1.00 17.01 C ATOM 1225 C PHE A 859 10.659 1.211 5.258 1.00 20.22 C ATOM 1226 O PHE A 859 10.141 0.687 4.270 1.00 21.67 O ATOM 1227 CB PHE A 859 9.602 3.291 6.135 1.00 16.90 C ATOM 1228 CG PHE A 859 8.462 3.977 6.871 1.00 17.42 C ATOM 1229 CD1 PHE A 859 7.937 3.444 8.050 1.00 19.51 C ATOM 1230 CD2 PHE A 859 7.936 5.167 6.400 1.00 17.26 C ATOM 1231 CE1 PHE A 859 6.868 4.085 8.714 1.00 20.36 C ATOM 1232 CE2 PHE A 859 6.879 5.809 7.059 1.00 19.82 C ATOM 1233 CZ PHE A 859 6.352 5.266 8.216 1.00 18.49 C ATOM 1234 H PHE A 859 10.659 2.269 8.284 1.00 0.00 H ATOM 1235 N VAL A 860 12.002 1.301 5.426 1.00 19.43 N ATOM 1236 CA VAL A 860 12.953 0.730 4.460 1.00 21.28 C ATOM 1237 C VAL A 860 12.842 -0.805 4.461 1.00 23.75 C ATOM 1238 O VAL A 860 12.745 -1.418 3.393 1.00 24.08 O ATOM 1239 CB VAL A 860 14.417 1.197 4.755 1.00 25.49 C ATOM 1240 CG1 VAL A 860 15.445 0.383 3.950 1.00 26.30 C ATOM 1241 CG2 VAL A 860 14.568 2.678 4.449 1.00 25.76 C ATOM 1242 H VAL A 860 12.372 1.790 6.266 1.00 0.00 H ATOM 1243 N ARG A 861 12.825 -1.426 5.650 1.00 20.76 N ATOM 1244 CA ARG A 861 12.716 -2.889 5.736 1.00 22.90 C ATOM 1245 C ARG A 861 11.455 -3.392 5.024 1.00 25.82 C ATOM 1246 O ARG A 861 11.514 -4.397 4.314 1.00 25.33 O ATOM 1247 CB ARG A 861 12.687 -3.333 7.204 1.00 26.37 C ATOM 1248 CG ARG A 861 12.681 -4.847 7.406 1.00 38.06 C ATOM 1249 CD ARG A 861 12.643 -5.248 8.874 1.00 46.62 C ATOM 1250 NE ARG A 861 11.414 -4.810 9.546 1.00 59.49 N ATOM 1251 CZ ARG A 861 10.267 -5.485 9.543 1.00 74.88 C ATOM 1252 NH1 ARG A 861 10.168 -6.639 8.894 1.00 61.21 N ATOM 1253 NH2 ARG A 861 9.207 -5.004 10.180 1.00 64.53 N ATOM 1254 HE ARG A 861 11.441 -3.907 10.062 1.00 0.00 H ATOM 1255 HH12 ARG A 861 9.269 -7.161 8.896 1.00 0.00 H ATOM 1256 HH11 ARG A 861 10.990 -7.021 8.384 1.00 0.00 H ATOM 1257 HH22 ARG A 861 8.312 -5.535 10.175 1.00 0.00 H ATOM 1258 HH21 ARG A 861 9.271 -4.097 10.684 1.00 0.00 H ATOM 1259 H ARG A 861 12.890 -0.864 6.523 1.00 0.00 H ATOM 1260 N LEU A 862 10.330 -2.681 5.197 1.00 21.21 N ATOM 1261 CA LEU A 862 9.073 -3.125 4.606 1.00 20.60 C ATOM 1262 C LEU A 862 8.869 -2.676 3.199 1.00 24.41 C ATOM 1263 O LEU A 862 7.931 -3.138 2.552 1.00 23.88 O ATOM 1264 CB LEU A 862 7.908 -2.611 5.460 1.00 20.50 C ATOM 1265 CG LEU A 862 7.798 -3.180 6.867 1.00 26.40 C ATOM 1266 CD1 LEU A 862 6.727 -2.460 7.641 1.00 27.01 C ATOM 1267 CD2 LEU A 862 7.464 -4.678 6.838 1.00 30.36 C ATOM 1268 H LEU A 862 10.355 -1.805 5.758 1.00 0.00 H ATOM 1269 N GLN A 863 9.662 -1.683 2.753 1.00 21.42 N ATOM 1270 CA GLN A 863 9.477 -1.023 1.457 1.00 20.92 C ATOM 1271 C GLN A 863 8.012 -0.511 1.428 1.00 21.79 C ATOM 1272 O GLN A 863 7.229 -0.830 0.527 1.00 22.13 O ATOM 1273 CB GLN A 863 9.826 -1.963 0.288 1.00 23.41 C ATOM 1274 CG GLN A 863 11.340 -2.239 0.211 1.00 28.43 C ATOM 1275 CD GLN A 863 12.090 -0.995 -0.216 1.00 42.25 C ATOM 1276 OE1 GLN A 863 11.975 -0.552 -1.360 1.00 41.31 O ATOM 1277 NE2 GLN A 863 12.842 -0.378 0.703 1.00 31.86 N ATOM 1278 HE22 GLN A 863 12.921 -0.774 1.661 1.00 0.00 H ATOM 1279 HE21 GLN A 863 13.347 0.498 0.459 1.00 0.00 H ATOM 1280 H GLN A 863 10.446 -1.368 3.359 1.00 0.00 H ATOM 1281 N LEU A 864 7.657 0.266 2.468 1.00 19.10 N ATOM 1282 CA LEU A 864 6.312 0.817 2.630 1.00 17.19 C ATOM 1283 C LEU A 864 5.933 1.603 1.396 1.00 19.65 C ATOM 1284 O LEU A 864 6.749 2.387 0.878 1.00 20.31 O ATOM 1285 CB LEU A 864 6.245 1.732 3.859 1.00 16.71 C ATOM 1286 CG LEU A 864 4.832 2.046 4.345 1.00 18.85 C ATOM 1287 CD1 LEU A 864 4.193 0.807 4.989 1.00 20.47 C ATOM 1288 CD2 LEU A 864 4.865 3.181 5.352 1.00 18.37 C ATOM 1289 H LEU A 864 8.373 0.485 3.190 1.00 0.00 H ATOM 1290 N THR A 865 4.706 1.394 0.922 1.00 18.84 N ATOM 1291 CA THR A 865 4.241 2.107 -0.264 1.00 18.74 C ATOM 1292 C THR A 865 3.457 3.348 0.137 1.00 19.81 C ATOM 1293 O THR A 865 2.985 3.468 1.271 1.00 18.79 O ATOM 1294 CB THR A 865 3.370 1.225 -1.170 1.00 21.21 C ATOM 1295 OG1 THR A 865 2.086 1.012 -0.573 1.00 21.09 O ATOM 1296 CG2 THR A 865 4.039 -0.078 -1.580 1.00 21.61 C ATOM 1297 HG1 THR A 865 1.537 0.442 -1.168 1.00 0.00 H ATOM 1298 H THR A 865 4.075 0.719 1.400 1.00 0.00 H ATOM 1299 N PHE A 866 3.311 4.301 -0.806 1.00 18.60 N ATOM 1300 CA PHE A 866 2.544 5.510 -0.509 1.00 17.60 C ATOM 1301 C PHE A 866 1.082 5.215 -0.209 1.00 19.89 C ATOM 1302 O PHE A 866 0.523 5.815 0.692 1.00 19.43 O ATOM 1303 CB PHE A 866 2.660 6.514 -1.669 1.00 19.35 C ATOM 1304 CG PHE A 866 2.019 7.854 -1.402 1.00 19.47 C ATOM 1305 CD1 PHE A 866 2.493 8.683 -0.383 1.00 20.90 C ATOM 1306 CD2 PHE A 866 0.978 8.314 -2.199 1.00 22.26 C ATOM 1307 CE1 PHE A 866 1.912 9.939 -0.147 1.00 22.01 C ATOM 1308 CE2 PHE A 866 0.417 9.586 -1.976 1.00 22.40 C ATOM 1309 CZ PHE A 866 0.889 10.380 -0.955 1.00 20.63 C ATOM 1310 H PHE A 866 3.744 4.176 -1.744 1.00 0.00 H ATOM 1311 N GLU A 867 0.485 4.237 -0.910 1.00 18.85 N ATOM 1312 CA GLU A 867 -0.906 3.850 -0.662 1.00 19.48 C ATOM 1313 C GLU A 867 -1.013 3.332 0.775 1.00 20.61 C ATOM 1314 O GLU A 867 -1.917 3.732 1.501 1.00 20.47 O ATOM 1315 CB GLU A 867 -1.345 2.777 -1.656 1.00 22.88 C ATOM 1316 CG GLU A 867 -1.674 3.358 -3.015 1.00 32.83 C ATOM 1317 CD GLU A 867 -1.494 2.380 -4.159 1.00 63.77 C ATOM 1318 OE1 GLU A 867 -0.539 2.555 -4.951 1.00 71.06 O ATOM 1319 OE2 GLU A 867 -2.305 1.434 -4.260 1.00 55.68 O ATOM 1320 H GLU A 867 1.024 3.741 -1.648 1.00 0.00 H ATOM 1321 N GLU A 868 -0.086 2.445 1.186 1.00 17.87 N ATOM 1322 CA GLU A 868 -0.131 1.920 2.570 1.00 16.65 C ATOM 1323 C GLU A 868 0.029 3.052 3.575 1.00 17.88 C ATOM 1324 O GLU A 868 -0.713 3.138 4.565 1.00 17.99 O ATOM 1325 CB GLU A 868 1.001 0.890 2.771 1.00 17.27 C ATOM 1326 CG GLU A 868 0.740 -0.417 2.037 1.00 17.78 C ATOM 1327 CD GLU A 868 1.950 -1.324 1.927 1.00 23.40 C ATOM 1328 OE1 GLU A 868 1.741 -2.541 1.688 1.00 23.33 O ATOM 1329 OE2 GLU A 868 3.098 -0.832 2.074 1.00 19.31 O ATOM 1330 H GLU A 868 0.659 2.130 0.533 1.00 0.00 H ATOM 1331 N TYR A 869 1.017 3.924 3.340 1.00 15.37 N ATOM 1332 CA TYR A 869 1.258 5.053 4.222 1.00 14.25 C ATOM 1333 C TYR A 869 -0.001 5.903 4.399 1.00 16.27 C ATOM 1334 O TYR A 869 -0.383 6.202 5.540 1.00 15.39 O ATOM 1335 CB TYR A 869 2.396 5.889 3.629 1.00 15.88 C ATOM 1336 CG TYR A 869 2.511 7.281 4.191 1.00 16.17 C ATOM 1337 CD1 TYR A 869 2.988 7.498 5.481 1.00 17.06 C ATOM 1338 CD2 TYR A 869 2.134 8.386 3.441 1.00 16.69 C ATOM 1339 CE1 TYR A 869 3.052 8.774 6.021 1.00 16.41 C ATOM 1340 CE2 TYR A 869 2.234 9.675 3.956 1.00 17.14 C ATOM 1341 CZ TYR A 869 2.729 9.866 5.237 1.00 17.91 C ATOM 1342 OH TYR A 869 2.818 11.136 5.759 1.00 22.08 O ATOM 1343 HH TYR A 869 3.412 11.685 5.188 1.00 0.00 H ATOM 1344 H TYR A 869 1.626 3.790 2.507 1.00 0.00 H ATOM 1345 N THR A 870 -0.676 6.256 3.296 1.00 15.02 N ATOM 1346 CA THR A 870 -1.840 7.128 3.427 1.00 14.45 C ATOM 1347 C THR A 870 -2.965 6.492 4.245 1.00 16.31 C ATOM 1348 O THR A 870 -3.604 7.198 5.042 1.00 16.13 O ATOM 1349 CB THR A 870 -2.366 7.633 2.087 1.00 16.44 C ATOM 1350 OG1 THR A 870 -2.794 6.528 1.299 1.00 19.16 O ATOM 1351 CG2 THR A 870 -1.371 8.545 1.365 1.00 19.28 C ATOM 1352 HG1 THR A 870 -2.030 5.918 1.146 1.00 0.00 H ATOM 1353 H THR A 870 -0.375 5.914 2.361 1.00 0.00 H ATOM 1354 N ILE A 871 -3.188 5.167 4.089 1.00 15.65 N ATOM 1355 CA ILE A 871 -4.275 4.550 4.882 1.00 15.17 C ATOM 1356 C ILE A 871 -3.856 4.477 6.339 1.00 16.72 C ATOM 1357 O ILE A 871 -4.659 4.716 7.243 1.00 16.33 O ATOM 1358 CB ILE A 871 -4.628 3.152 4.327 1.00 18.89 C ATOM 1359 CG1 ILE A 871 -5.145 3.239 2.888 1.00 20.25 C ATOM 1360 CG2 ILE A 871 -5.663 2.451 5.242 1.00 19.57 C ATOM 1361 CD1 ILE A 871 -4.993 1.863 2.131 1.00 25.78 C ATOM 1362 H ILE A 871 -2.614 4.600 3.433 1.00 0.00 H ATOM 1363 N MET A 872 -2.571 4.124 6.579 1.00 15.20 N ATOM 1364 CA MET A 872 -2.076 4.040 7.952 1.00 13.89 C ATOM 1365 C MET A 872 -2.152 5.372 8.655 1.00 15.36 C ATOM 1366 O MET A 872 -2.458 5.400 9.845 1.00 14.70 O ATOM 1367 CB MET A 872 -0.648 3.522 7.949 1.00 15.16 C ATOM 1368 CG MET A 872 -0.584 2.039 7.497 1.00 16.90 C ATOM 1369 SD MET A 872 1.120 1.505 7.153 1.00 19.33 S ATOM 1370 CE MET A 872 1.700 1.201 8.826 1.00 18.32 C ATOM 1371 H MET A 872 -1.934 3.912 5.784 1.00 0.00 H ATOM 1372 N LYS A 873 -1.901 6.487 7.940 1.00 13.34 N ATOM 1373 CA LYS A 873 -1.984 7.796 8.610 1.00 13.19 C ATOM 1374 C LYS A 873 -3.433 8.079 9.048 1.00 16.01 C ATOM 1375 O LYS A 873 -3.644 8.609 10.134 1.00 15.12 O ATOM 1376 CB LYS A 873 -1.478 8.883 7.675 1.00 17.39 C ATOM 1377 CG LYS A 873 -1.267 10.188 8.447 1.00 21.43 C ATOM 1378 CD LYS A 873 -0.134 11.070 7.843 1.00 26.13 C ATOM 1379 CE LYS A 873 -0.312 11.304 6.348 1.00 24.03 C ATOM 1380 NZ LYS A 873 -1.651 11.879 6.000 1.00 23.26 N ATOM 1381 HZ1 LYS A 873 -2.399 11.225 6.309 1.00 0.00 H ATOM 1382 HZ2 LYS A 873 -1.769 12.794 6.480 1.00 0.00 H ATOM 1383 HZ3 LYS A 873 -1.712 12.015 4.971 1.00 0.00 H ATOM 1384 H LYS A 873 -1.653 6.424 6.932 1.00 0.00 H ATOM 1385 N VAL A 874 -4.445 7.674 8.249 1.00 15.01 N ATOM 1386 CA VAL A 874 -5.858 7.845 8.675 1.00 13.73 C ATOM 1387 C VAL A 874 -6.086 6.986 9.924 1.00 15.56 C ATOM 1388 O VAL A 874 -6.691 7.453 10.891 1.00 14.99 O ATOM 1389 CB VAL A 874 -6.845 7.441 7.569 1.00 16.99 C ATOM 1390 CG1 VAL A 874 -8.310 7.483 8.066 1.00 17.11 C ATOM 1391 CG2 VAL A 874 -6.659 8.331 6.337 1.00 17.35 C ATOM 1392 H VAL A 874 -4.233 7.239 7.328 1.00 0.00 H ATOM 1393 N LEU A 875 -5.529 5.746 9.937 1.00 14.73 N ATOM 1394 CA LEU A 875 -5.703 4.918 11.128 1.00 13.93 C ATOM 1395 C LEU A 875 -5.075 5.552 12.360 1.00 15.43 C ATOM 1396 O LEU A 875 -5.657 5.412 13.450 1.00 16.70 O ATOM 1397 CB LEU A 875 -5.234 3.478 10.914 1.00 13.92 C ATOM 1398 CG LEU A 875 -6.102 2.736 9.879 1.00 17.98 C ATOM 1399 CD1 LEU A 875 -5.440 1.407 9.460 1.00 17.86 C ATOM 1400 CD2 LEU A 875 -7.519 2.527 10.407 1.00 19.69 C ATOM 1401 H LEU A 875 -4.992 5.395 9.119 1.00 0.00 H ATOM 1402 N LEU A 876 -3.947 6.287 12.201 1.00 13.43 N ATOM 1403 CA LEU A 876 -3.362 6.979 13.351 1.00 13.35 C ATOM 1404 C LEU A 876 -4.264 8.114 13.851 1.00 14.85 C ATOM 1405 O LEU A 876 -4.359 8.320 15.070 1.00 15.28 O ATOM 1406 CB LEU A 876 -1.968 7.515 13.016 1.00 13.57 C ATOM 1407 CG LEU A 876 -0.942 6.417 12.831 1.00 16.59 C ATOM 1408 CD1 LEU A 876 0.361 7.022 12.367 1.00 17.85 C ATOM 1409 CD2 LEU A 876 -0.707 5.660 14.103 1.00 17.96 C ATOM 1410 H LEU A 876 -3.499 6.359 11.265 1.00 0.00 H ATOM 1411 N LEU A 877 -4.927 8.850 12.937 1.00 13.13 N ATOM 1412 CA LEU A 877 -5.889 9.891 13.360 1.00 13.93 C ATOM 1413 C LEU A 877 -7.006 9.243 14.228 1.00 16.79 C ATOM 1414 O LEU A 877 -7.567 9.900 15.114 1.00 16.15 O ATOM 1415 CB LEU A 877 -6.519 10.509 12.107 1.00 13.81 C ATOM 1416 CG LEU A 877 -7.745 11.422 12.303 1.00 16.24 C ATOM 1417 CD1 LEU A 877 -7.360 12.704 13.080 1.00 16.61 C ATOM 1418 CD2 LEU A 877 -8.365 11.752 10.966 1.00 17.39 C ATOM 1419 H LEU A 877 -4.760 8.684 11.924 1.00 0.00 H ATOM 1420 N LEU A 878 -7.289 7.962 13.986 1.00 14.95 N ATOM 1421 CA LEU A 878 -8.370 7.241 14.679 1.00 15.00 C ATOM 1422 C LEU A 878 -7.834 6.253 15.740 1.00 17.54 C ATOM 1423 O LEU A 878 -8.535 5.281 16.079 1.00 18.55 O ATOM 1424 CB LEU A 878 -9.181 6.472 13.604 1.00 15.88 C ATOM 1425 CG LEU A 878 -9.690 7.345 12.435 1.00 16.42 C ATOM 1426 CD1 LEU A 878 -10.424 6.502 11.394 1.00 16.60 C ATOM 1427 CD2 LEU A 878 -10.645 8.453 12.923 1.00 16.94 C ATOM 1428 H LEU A 878 -6.723 7.451 13.279 1.00 0.00 H ATOM 1429 N SER A 879 -6.613 6.494 16.262 1.00 14.69 N ATOM 1430 CA SER A 879 -6.017 5.524 17.176 1.00 15.09 C ATOM 1431 C SER A 879 -6.086 5.843 18.653 1.00 18.66 C ATOM 1432 O SER A 879 -5.728 4.977 19.450 1.00 19.01 O ATOM 1433 CB SER A 879 -4.556 5.277 16.796 1.00 17.35 C ATOM 1434 OG SER A 879 -3.767 6.445 16.932 1.00 19.05 O ATOM 1435 HG SER A 879 -4.125 7.154 16.341 1.00 0.00 H ATOM 1436 H SER A 879 -6.100 7.364 16.015 1.00 0.00 H ATOM 1437 N THR A 880 -6.466 7.062 19.035 1.00 15.73 N ATOM 1438 CA THR A 880 -6.479 7.464 20.454 1.00 17.34 C ATOM 1439 C THR A 880 -7.819 8.145 20.731 1.00 20.15 C ATOM 1440 O THR A 880 -8.169 9.091 20.042 1.00 19.85 O ATOM 1441 CB THR A 880 -5.274 8.362 20.794 1.00 23.43 C ATOM 1442 OG1 THR A 880 -4.052 7.758 20.329 1.00 25.29 O ATOM 1443 CG2 THR A 880 -5.166 8.666 22.309 1.00 26.19 C ATOM 1444 HG1 THR A 880 -4.098 7.636 19.348 1.00 0.00 H ATOM 1445 H THR A 880 -6.762 7.749 18.312 1.00 0.00 H ATOM 1446 N ILE A 881 -8.563 7.647 21.720 1.00 18.74 N ATOM 1447 CA ILE A 881 -9.883 8.207 22.025 1.00 18.45 C ATOM 1448 C ILE A 881 -10.027 8.418 23.527 1.00 21.76 C ATOM 1449 O ILE A 881 -9.237 7.861 24.278 1.00 20.67 O ATOM 1450 CB ILE A 881 -10.998 7.261 21.493 1.00 21.84 C ATOM 1451 CG1 ILE A 881 -10.956 5.871 22.170 1.00 23.87 C ATOM 1452 CG2 ILE A 881 -10.967 7.175 19.940 1.00 22.74 C ATOM 1453 CD1 ILE A 881 -12.194 4.968 21.863 1.00 25.83 C ATOM 1454 H ILE A 881 -8.202 6.850 22.282 1.00 0.00 H ATOM 1455 N PRO A 882 -11.065 9.132 23.985 1.00 19.75 N ATOM 1456 CA PRO A 882 -11.284 9.242 25.439 1.00 20.84 C ATOM 1457 C PRO A 882 -11.572 7.880 26.061 1.00 24.27 C ATOM 1458 O PRO A 882 -12.220 7.024 25.456 1.00 24.05 O ATOM 1459 CB PRO A 882 -12.519 10.146 25.551 1.00 22.81 C ATOM 1460 CG PRO A 882 -12.562 10.891 24.246 1.00 25.12 C ATOM 1461 CD PRO A 882 -12.086 9.885 23.231 1.00 21.79 C ATOM 1462 N LYS A 883 -11.126 7.709 27.305 1.00 24.72 N ATOM 1463 CA LYS A 883 -11.338 6.492 28.085 1.00 26.22 C ATOM 1464 C LYS A 883 -12.832 6.129 28.136 1.00 31.97 C ATOM 1465 O LYS A 883 -13.163 4.965 27.971 1.00 32.38 O ATOM 1466 CB LYS A 883 -10.771 6.722 29.496 1.00 30.69 C ATOM 1467 CG LYS A 883 -10.848 5.529 30.440 1.00 44.20 C ATOM 1468 CD LYS A 883 -10.034 5.772 31.717 1.00 53.22 C ATOM 1469 CE LYS A 883 -10.711 6.675 32.732 1.00 66.22 C ATOM 1470 NZ LYS A 883 -11.831 5.989 33.432 1.00 78.33 N ATOM 1471 HZ1 LYS A 883 -12.544 5.692 32.735 1.00 0.00 H ATOM 1472 HZ2 LYS A 883 -11.466 5.154 33.933 1.00 0.00 H ATOM 1473 HZ3 LYS A 883 -12.264 6.643 34.115 1.00 0.00 H ATOM 1474 H LYS A 883 -10.596 8.487 27.746 1.00 0.00 H ATOM 1475 N ASP A 884 -13.724 7.130 28.288 1.00 29.55 N ATOM 1476 CA ASP A 884 -15.171 6.882 28.328 1.00 31.73 C ATOM 1477 C ASP A 884 -15.844 6.985 26.939 1.00 35.16 C ATOM 1478 O ASP A 884 -17.076 6.950 26.841 1.00 34.60 O ATOM 1479 CB ASP A 884 -15.861 7.773 29.374 1.00 34.99 C ATOM 1480 CG ASP A 884 -15.361 7.542 30.792 1.00 48.20 C ATOM 1481 OD1 ASP A 884 -15.320 6.365 31.225 1.00 47.92 O ATOM 1482 OD2 ASP A 884 -15.007 8.536 31.465 1.00 55.08 O ATOM 1483 H ASP A 884 -13.377 8.106 28.380 1.00 0.00 H ATOM 1484 N GLY A 885 -15.028 7.037 25.887 1.00 29.84 N ATOM 1485 CA GLY A 885 -15.512 7.059 24.511 1.00 28.87 C ATOM 1486 C GLY A 885 -15.882 8.425 23.968 1.00 26.95 C ATOM 1487 O GLY A 885 -15.899 9.426 24.681 1.00 26.73 O ATOM 1488 H GLY A 885 -14.002 7.063 26.054 1.00 0.00 H ATOM 1489 N LEU A 886 -16.152 8.459 22.675 1.00 21.53 N ATOM 1490 CA LEU A 886 -16.511 9.685 21.979 1.00 19.66 C ATOM 1491 C LEU A 886 -18.010 9.993 22.095 1.00 22.63 C ATOM 1492 O LEU A 886 -18.780 9.152 22.575 1.00 23.40 O ATOM 1493 CB LEU A 886 -16.128 9.523 20.504 1.00 18.94 C ATOM 1494 CG LEU A 886 -14.610 9.475 20.245 1.00 22.13 C ATOM 1495 CD1 LEU A 886 -14.330 8.901 18.903 1.00 22.66 C ATOM 1496 CD2 LEU A 886 -13.991 10.862 20.348 1.00 22.27 C ATOM 1497 H LEU A 886 -16.106 7.573 22.133 1.00 0.00 H ATOM 1498 N LYS A 887 -18.415 11.194 21.646 1.00 19.29 N ATOM 1499 CA LYS A 887 -19.846 11.582 21.644 1.00 19.54 C ATOM 1500 C LYS A 887 -20.654 10.663 20.734 1.00 21.53 C ATOM 1501 O LYS A 887 -21.777 10.267 21.087 1.00 22.87 O ATOM 1502 CB LYS A 887 -20.001 13.044 21.176 1.00 23.40 C ATOM 1503 CG LYS A 887 -19.421 14.091 22.137 1.00 28.77 C ATOM 1504 CD LYS A 887 -20.038 14.072 23.538 1.00 37.28 C ATOM 1505 CE LYS A 887 -21.384 14.774 23.605 1.00 51.81 C ATOM 1506 NZ LYS A 887 -21.979 14.700 24.970 1.00 57.46 N ATOM 1507 HZ1 LYS A 887 -22.116 13.703 25.233 1.00 0.00 H ATOM 1508 HZ2 LYS A 887 -21.338 15.155 25.651 1.00 0.00 H ATOM 1509 HZ3 LYS A 887 -22.896 15.190 24.974 1.00 0.00 H ATOM 1510 H LYS A 887 -17.707 11.868 21.291 1.00 0.00 H ATOM 1511 N SER A 888 -20.092 10.341 19.554 1.00 18.73 N ATOM 1512 CA SER A 888 -20.710 9.455 18.572 1.00 19.33 C ATOM 1513 C SER A 888 -19.757 8.271 18.362 1.00 20.58 C ATOM 1514 O SER A 888 -19.112 8.144 17.317 1.00 19.31 O ATOM 1515 CB SER A 888 -20.992 10.212 17.279 1.00 20.93 C ATOM 1516 OG SER A 888 -22.027 11.167 17.507 1.00 21.81 O ATOM 1517 HG SER A 888 -22.211 11.659 16.668 1.00 0.00 H ATOM 1518 H SER A 888 -19.162 10.748 19.328 1.00 0.00 H ATOM 1519 N GLN A 889 -19.672 7.410 19.394 1.00 20.74 N ATOM 1520 CA GLN A 889 -18.772 6.247 19.353 1.00 19.52 C ATOM 1521 C GLN A 889 -19.045 5.316 18.164 1.00 20.96 C ATOM 1522 O GLN A 889 -18.095 4.896 17.494 1.00 21.09 O ATOM 1523 CB GLN A 889 -18.830 5.483 20.690 1.00 21.59 C ATOM 1524 CG GLN A 889 -17.767 4.372 20.799 1.00 26.36 C ATOM 1525 CD GLN A 889 -16.337 4.859 20.820 1.00 27.22 C ATOM 1526 OE1 GLN A 889 -16.036 5.976 21.225 1.00 25.13 O ATOM 1527 NE2 GLN A 889 -15.405 4.021 20.385 1.00 27.66 N ATOM 1528 HE22 GLN A 889 -15.674 3.076 20.044 1.00 0.00 H ATOM 1529 HE21 GLN A 889 -14.406 4.309 20.385 1.00 0.00 H ATOM 1530 H GLN A 889 -20.256 7.571 20.239 1.00 0.00 H ATOM 1531 N ALA A 890 -20.335 4.997 17.884 1.00 20.62 N ATOM 1532 CA ALA A 890 -20.614 4.095 16.759 1.00 21.46 C ATOM 1533 C ALA A 890 -20.195 4.681 15.412 1.00 22.18 C ATOM 1534 O ALA A 890 -19.688 3.939 14.571 1.00 22.37 O ATOM 1535 CB ALA A 890 -22.089 3.728 16.736 1.00 23.21 C ATOM 1536 H ALA A 890 -21.112 5.385 18.456 1.00 0.00 H ATOM 1537 N ALA A 891 -20.370 6.000 15.210 1.00 19.74 N ATOM 1538 CA ALA A 891 -19.960 6.632 13.948 1.00 18.60 C ATOM 1539 C ALA A 891 -18.438 6.540 13.797 1.00 20.31 C ATOM 1540 O ALA A 891 -17.943 6.243 12.706 1.00 20.44 O ATOM 1541 CB ALA A 891 -20.396 8.093 13.895 1.00 20.06 C ATOM 1542 H ALA A 891 -20.801 6.580 15.957 1.00 0.00 H ATOM 1543 N PHE A 892 -17.710 6.785 14.901 1.00 17.20 N ATOM 1544 CA PHE A 892 -16.254 6.648 14.887 1.00 16.44 C ATOM 1545 C PHE A 892 -15.862 5.187 14.525 1.00 19.69 C ATOM 1546 O PHE A 892 -15.001 4.972 13.671 1.00 18.91 O ATOM 1547 CB PHE A 892 -15.706 7.007 16.260 1.00 17.84 C ATOM 1548 CG PHE A 892 -14.293 6.520 16.497 1.00 16.62 C ATOM 1549 CD1 PHE A 892 -13.209 7.195 15.950 1.00 17.44 C ATOM 1550 CD2 PHE A 892 -14.057 5.354 17.220 1.00 18.24 C ATOM 1551 CE1 PHE A 892 -11.912 6.734 16.155 1.00 18.16 C ATOM 1552 CE2 PHE A 892 -12.757 4.875 17.402 1.00 19.83 C ATOM 1553 CZ PHE A 892 -11.695 5.573 16.870 1.00 18.16 C ATOM 1554 H PHE A 892 -18.189 7.076 15.777 1.00 0.00 H ATOM 1555 N GLU A 893 -16.472 4.199 15.209 1.00 18.35 N ATOM 1556 CA GLU A 893 -16.135 2.794 14.965 1.00 19.54 C ATOM 1557 C GLU A 893 -16.382 2.387 13.514 1.00 22.48 C ATOM 1558 O GLU A 893 -15.573 1.652 12.944 1.00 21.78 O ATOM 1559 CB GLU A 893 -16.835 1.875 15.966 1.00 21.96 C ATOM 1560 CG GLU A 893 -16.348 2.144 17.382 1.00 25.14 C ATOM 1561 CD GLU A 893 -16.788 1.212 18.493 1.00 49.27 C ATOM 1562 OE1 GLU A 893 -16.302 1.395 19.633 1.00 36.90 O ATOM 1563 OE2 GLU A 893 -17.607 0.302 18.231 1.00 45.95 O ATOM 1564 H GLU A 893 -17.192 4.437 15.920 1.00 0.00 H ATOM 1565 N GLU A 894 -17.468 2.896 12.903 1.00 19.57 N ATOM 1566 CA GLU A 894 -17.755 2.625 11.495 1.00 19.94 C ATOM 1567 C GLU A 894 -16.617 3.173 10.605 1.00 21.29 C ATOM 1568 O GLU A 894 -16.144 2.490 9.694 1.00 21.86 O ATOM 1569 CB GLU A 894 -19.091 3.274 11.121 1.00 22.16 C ATOM 1570 CG GLU A 894 -19.530 3.014 9.696 1.00 29.54 C ATOM 1571 CD GLU A 894 -20.780 3.790 9.333 1.00 54.74 C ATOM 1572 OE1 GLU A 894 -20.834 5.015 9.595 1.00 45.63 O ATOM 1573 OE2 GLU A 894 -21.708 3.164 8.778 1.00 49.00 O ATOM 1574 H GLU A 894 -18.120 3.497 13.446 1.00 0.00 H ATOM 1575 N MET A 895 -16.175 4.404 10.863 1.00 18.22 N ATOM 1576 CA MET A 895 -15.086 4.973 10.070 1.00 16.46 C ATOM 1577 C MET A 895 -13.795 4.158 10.220 1.00 19.32 C ATOM 1578 O MET A 895 -13.172 3.808 9.213 1.00 18.37 O ATOM 1579 CB MET A 895 -14.831 6.436 10.454 1.00 17.94 C ATOM 1580 CG MET A 895 -13.844 7.126 9.509 1.00 18.49 C ATOM 1581 SD MET A 895 -13.609 8.840 9.991 1.00 21.21 S ATOM 1582 CE MET A 895 -12.265 9.327 8.831 1.00 20.44 C ATOM 1583 H MET A 895 -16.605 4.960 11.629 1.00 0.00 H ATOM 1584 N ARG A 896 -13.384 3.877 11.464 1.00 16.43 N ATOM 1585 CA ARG A 896 -12.144 3.140 11.686 1.00 16.33 C ATOM 1586 C ARG A 896 -12.212 1.728 11.061 1.00 20.20 C ATOM 1587 O ARG A 896 -11.259 1.332 10.385 1.00 19.58 O ATOM 1588 CB ARG A 896 -11.789 3.127 13.179 1.00 15.60 C ATOM 1589 CG ARG A 896 -10.436 2.482 13.482 1.00 12.19 C ATOM 1590 CD ARG A 896 -10.104 2.601 14.955 1.00 16.56 C ATOM 1591 NE ARG A 896 -8.891 1.843 15.279 1.00 15.02 N ATOM 1592 CZ ARG A 896 -8.886 0.613 15.784 1.00 28.18 C ATOM 1593 NH1 ARG A 896 -10.028 -0.012 16.038 1.00 22.94 N ATOM 1594 NH2 ARG A 896 -7.740 -0.001 16.042 1.00 26.18 N ATOM 1595 HE ARG A 896 -7.973 2.298 15.102 1.00 0.00 H ATOM 1596 HH12 ARG A 896 -10.018 -0.974 16.433 1.00 0.00 H ATOM 1597 HH11 ARG A 896 -10.934 0.460 15.842 1.00 0.00 H ATOM 1598 HH22 ARG A 896 -7.743 -0.963 16.437 1.00 0.00 H ATOM 1599 HH21 ARG A 896 -6.838 0.479 15.849 1.00 0.00 H ATOM 1600 H ARG A 896 -13.953 4.186 12.278 1.00 0.00 H ATOM 1601 N THR A 897 -13.339 1.006 11.237 1.00 18.54 N ATOM 1602 CA THR A 897 -13.517 -0.336 10.646 1.00 18.63 C ATOM 1603 C THR A 897 -13.390 -0.283 9.148 1.00 22.07 C ATOM 1604 O THR A 897 -12.700 -1.114 8.580 1.00 22.32 O ATOM 1605 CB THR A 897 -14.878 -0.949 11.078 1.00 23.64 C ATOM 1606 OG1 THR A 897 -14.858 -1.117 12.490 1.00 27.23 O ATOM 1607 CG2 THR A 897 -15.169 -2.316 10.413 1.00 27.77 C ATOM 1608 HG1 THR A 897 -15.718 -1.507 12.787 1.00 0.00 H ATOM 1609 H THR A 897 -14.109 1.409 11.809 1.00 0.00 H ATOM 1610 N ASN A 898 -13.960 0.751 8.519 1.00 19.46 N ATOM 1611 CA ASN A 898 -13.887 0.838 7.077 1.00 21.21 C ATOM 1612 C ASN A 898 -12.481 1.132 6.570 1.00 21.76 C ATOM 1613 O ASN A 898 -12.106 0.561 5.548 1.00 22.91 O ATOM 1614 CB ASN A 898 -14.922 1.785 6.550 1.00 22.31 C ATOM 1615 CG ASN A 898 -16.241 1.020 6.475 1.00 32.82 C ATOM 1616 OD1 ASN A 898 -16.472 0.237 5.556 1.00 37.68 O ATOM 1617 ND2 ASN A 898 -17.079 1.124 7.489 1.00 31.78 N ATOM 1618 HD22 ASN A 898 -16.878 1.788 8.264 1.00 0.00 H ATOM 1619 HD21 ASN A 898 -17.940 0.542 7.514 1.00 0.00 H ATOM 1620 H ASN A 898 -14.453 1.488 9.063 1.00 0.00 H ATOM 1621 N TYR A 899 -11.664 1.932 7.304 1.00 17.76 N ATOM 1622 CA TYR A 899 -10.293 2.161 6.885 1.00 16.76 C ATOM 1623 C TYR A 899 -9.443 0.909 7.144 1.00 20.26 C ATOM 1624 O TYR A 899 -8.515 0.643 6.386 1.00 21.26 O ATOM 1625 CB TYR A 899 -9.736 3.442 7.516 1.00 18.51 C ATOM 1626 CG TYR A 899 -10.149 4.649 6.712 1.00 18.27 C ATOM 1627 CD1 TYR A 899 -9.501 4.970 5.528 1.00 19.34 C ATOM 1628 CD2 TYR A 899 -11.263 5.412 7.080 1.00 18.46 C ATOM 1629 CE1 TYR A 899 -9.889 6.072 4.766 1.00 20.35 C ATOM 1630 CE2 TYR A 899 -11.652 6.526 6.335 1.00 19.05 C ATOM 1631 CZ TYR A 899 -10.963 6.849 5.174 1.00 23.25 C ATOM 1632 OH TYR A 899 -11.331 7.936 4.415 1.00 22.03 O ATOM 1633 HH TYR A 899 -12.265 7.821 4.107 1.00 0.00 H ATOM 1634 H TYR A 899 -12.023 2.382 8.170 1.00 0.00 H ATOM 1635 N ILE A 900 -9.795 0.103 8.169 1.00 18.86 N ATOM 1636 CA ILE A 900 -9.086 -1.167 8.404 1.00 19.25 C ATOM 1637 C ILE A 900 -9.337 -2.113 7.213 1.00 24.15 C ATOM 1638 O ILE A 900 -8.400 -2.748 6.708 1.00 23.71 O ATOM 1639 CB ILE A 900 -9.423 -1.811 9.769 1.00 22.43 C ATOM 1640 CG1 ILE A 900 -8.902 -0.907 10.917 1.00 21.89 C ATOM 1641 CG2 ILE A 900 -8.802 -3.251 9.879 1.00 23.08 C ATOM 1642 CD1 ILE A 900 -9.422 -1.254 12.316 1.00 23.14 C ATOM 1643 H ILE A 900 -10.574 0.382 8.799 1.00 0.00 H ATOM 1644 N LYS A 901 -10.590 -2.153 6.745 1.00 22.78 N ATOM 1645 CA LYS A 901 -10.984 -2.952 5.575 1.00 22.96 C ATOM 1646 C LYS A 901 -10.191 -2.495 4.349 1.00 27.72 C ATOM 1647 O LYS A 901 -9.701 -3.338 3.595 1.00 27.38 O ATOM 1648 CB LYS A 901 -12.492 -2.828 5.316 1.00 25.63 C ATOM 1649 CG LYS A 901 -13.327 -3.601 6.317 1.00 40.60 C ATOM 1650 CD LYS A 901 -14.806 -3.564 5.958 1.00 52.11 C ATOM 1651 CE LYS A 901 -15.640 -4.341 6.953 1.00 64.24 C ATOM 1652 NZ LYS A 901 -17.092 -4.259 6.641 1.00 70.50 N ATOM 1653 HZ1 LYS A 901 -17.395 -3.264 6.666 1.00 0.00 H ATOM 1654 HZ2 LYS A 901 -17.264 -4.651 5.693 1.00 0.00 H ATOM 1655 HZ3 LYS A 901 -17.628 -4.804 7.346 1.00 0.00 H ATOM 1656 H LYS A 901 -11.319 -1.593 7.231 1.00 0.00 H ATOM 1657 N GLU A 902 -10.006 -1.159 4.173 1.00 24.36 N ATOM 1658 CA GLU A 902 -9.196 -0.639 3.080 1.00 23.25 C ATOM 1659 C GLU A 902 -7.738 -1.091 3.179 1.00 27.32 C ATOM 1660 O GLU A 902 -7.137 -1.398 2.154 1.00 26.03 O ATOM 1661 CB GLU A 902 -9.280 0.889 2.967 1.00 24.31 C ATOM 1662 CG GLU A 902 -10.628 1.405 2.478 1.00 29.81 C ATOM 1663 CD GLU A 902 -11.123 0.862 1.146 1.00 40.01 C ATOM 1664 OE1 GLU A 902 -12.326 0.536 1.052 1.00 38.15 O ATOM 1665 OE2 GLU A 902 -10.309 0.745 0.202 1.00 34.97 O ATOM 1666 H GLU A 902 -10.454 -0.493 4.835 1.00 0.00 H ATOM 1667 N LEU A 903 -7.169 -1.136 4.394 1.00 21.99 N ATOM 1668 CA LEU A 903 -5.783 -1.578 4.565 1.00 21.78 C ATOM 1669 C LEU A 903 -5.693 -3.065 4.204 1.00 26.99 C ATOM 1670 O LEU A 903 -4.755 -3.438 3.514 1.00 27.53 O ATOM 1671 CB LEU A 903 -5.294 -1.357 6.009 1.00 22.42 C ATOM 1672 CG LEU A 903 -3.790 -1.632 6.234 1.00 26.98 C ATOM 1673 CD1 LEU A 903 -2.904 -0.712 5.373 1.00 27.85 C ATOM 1674 CD2 LEU A 903 -3.445 -1.547 7.720 1.00 29.97 C ATOM 1675 H LEU A 903 -7.722 -0.852 5.228 1.00 0.00 H ATOM 1676 N ARG A 904 -6.665 -3.884 4.654 1.00 24.36 N ATOM 1677 CA ARG A 904 -6.674 -5.324 4.332 1.00 26.28 C ATOM 1678 C ARG A 904 -6.808 -5.557 2.813 1.00 32.87 C ATOM 1679 O ARG A 904 -6.127 -6.433 2.279 1.00 33.95 O ATOM 1680 CB ARG A 904 -7.786 -6.063 5.099 1.00 28.96 C ATOM 1681 CG ARG A 904 -7.699 -7.597 5.018 1.00 37.16 C ATOM 1682 CD ARG A 904 -6.596 -8.165 5.905 1.00 50.37 C ATOM 1683 NE ARG A 904 -6.499 -9.625 5.826 1.00 57.54 N ATOM 1684 CZ ARG A 904 -5.730 -10.282 4.963 1.00 72.45 C ATOM 1685 NH1 ARG A 904 -4.994 -9.619 4.079 1.00 63.20 N ATOM 1686 NH2 ARG A 904 -5.700 -11.609 4.968 1.00 56.07 N ATOM 1687 HE ARG A 904 -7.070 -10.185 6.490 1.00 0.00 H ATOM 1688 HH12 ARG A 904 -4.395 -10.139 3.407 1.00 0.00 H ATOM 1689 HH11 ARG A 904 -5.017 -8.579 4.059 1.00 0.00 H ATOM 1690 HH22 ARG A 904 -5.097 -12.118 4.291 1.00 0.00 H ATOM 1691 HH21 ARG A 904 -6.280 -12.140 5.649 1.00 0.00 H ATOM 1692 H ARG A 904 -7.427 -3.491 5.243 1.00 0.00 H ATOM 1693 N LYS A 905 -7.666 -4.776 2.126 1.00 29.73 N ATOM 1694 CA LYS A 905 -7.871 -4.872 0.663 1.00 30.70 C ATOM 1695 C LYS A 905 -6.595 -4.510 -0.100 1.00 33.65 C ATOM 1696 O LYS A 905 -6.246 -5.203 -1.062 1.00 34.19 O ATOM 1697 CB LYS A 905 -9.025 -3.970 0.201 1.00 33.76 C ATOM 1698 CG LYS A 905 -10.405 -4.540 0.498 1.00 50.51 C ATOM 1699 CD LYS A 905 -11.492 -3.844 -0.307 1.00 59.85 C ATOM 1700 CE LYS A 905 -12.290 -2.862 0.513 1.00 71.45 C ATOM 1701 NZ LYS A 905 -13.442 -2.322 -0.257 1.00 83.57 N ATOM 1702 HZ1 LYS A 905 -13.092 -1.835 -1.107 1.00 0.00 H ATOM 1703 HZ2 LYS A 905 -14.068 -3.104 -0.537 1.00 0.00 H ATOM 1704 HZ3 LYS A 905 -13.969 -1.650 0.336 1.00 0.00 H ATOM 1705 H LYS A 905 -8.214 -4.067 2.653 1.00 0.00 H ATOM 1706 N MET A 906 -5.894 -3.440 0.349 1.00 28.55 N ATOM 1707 CA MET A 906 -4.646 -2.929 -0.212 1.00 28.64 C ATOM 1708 C MET A 906 -3.547 -4.003 -0.131 1.00 36.64 C ATOM 1709 O MET A 906 -2.848 -4.219 -1.118 1.00 37.41 O ATOM 1710 CB MET A 906 -4.215 -1.646 0.529 1.00 30.65 C ATOM 1711 CG MET A 906 -3.001 -0.944 -0.069 1.00 35.85 C ATOM 1712 SD MET A 906 -3.126 -0.487 -1.832 1.00 42.71 S ATOM 1713 CE MET A 906 -4.453 0.675 -1.780 1.00 39.57 C ATOM 1714 H MET A 906 -6.282 -2.935 1.171 1.00 0.00 H ATOM 1715 N VAL A 907 -3.435 -4.705 1.021 1.00 33.95 N ATOM 1716 CA VAL A 907 -2.444 -5.774 1.174 1.00 34.20 C ATOM 1717 C VAL A 907 -2.881 -7.057 0.409 1.00 40.08 C ATOM 1718 O VAL A 907 -2.023 -7.878 0.099 1.00 41.64 O ATOM 1719 CB VAL A 907 -2.022 -6.056 2.647 1.00 36.85 C ATOM 1720 CG1 VAL A 907 -1.606 -4.771 3.361 1.00 35.41 C ATOM 1721 CG2 VAL A 907 -3.121 -6.777 3.424 1.00 37.22 C ATOM 1722 H VAL A 907 -4.067 -4.481 1.816 1.00 0.00 H ATOM 1723 N THR A 908 -4.204 -7.252 0.160 1.00 36.44 N ATOM 1724 CA THR A 908 -4.730 -8.417 -0.585 1.00 37.22 C ATOM 1725 C THR A 908 -4.342 -8.274 -2.054 1.00 43.98 C ATOM 1726 O THR A 908 -3.892 -9.245 -2.670 1.00 44.00 O ATOM 1727 CB THR A 908 -6.243 -8.615 -0.356 1.00 47.33 C ATOM 1728 OG1 THR A 908 -6.473 -8.839 1.039 1.00 50.38 O ATOM 1729 CG2 THR A 908 -6.822 -9.793 -1.161 1.00 46.31 C ATOM 1730 HG1 THR A 908 -6.155 -8.056 1.555 1.00 0.00 H ATOM 1731 H THR A 908 -4.881 -6.545 0.512 1.00 0.00 H ATOM 1732 N LYS A 909 -4.497 -7.056 -2.598 1.00 42.09 N ATOM 1733 CA LYS A 909 -4.113 -6.710 -3.962 1.00 43.45 C ATOM 1734 C LYS A 909 -2.572 -6.674 -4.051 1.00 47.57 C ATOM 1735 O LYS A 909 -2.014 -7.133 -5.046 1.00 47.93 O ATOM 1736 CB LYS A 909 -4.719 -5.337 -4.352 1.00 46.47 C ATOM 1737 CG LYS A 909 -4.382 -4.840 -5.767 1.00 64.51 C ATOM 1738 CD LYS A 909 -5.152 -5.571 -6.865 1.00 78.71 C ATOM 1739 CE LYS A 909 -4.623 -5.252 -8.240 1.00 90.27 C ATOM 1740 NZ LYS A 909 -5.269 -6.093 -9.283 1.00100.94 N ATOM 1741 HZ1 LYS A 909 -5.082 -7.096 -9.083 1.00 0.00 H ATOM 1742 HZ2 LYS A 909 -6.295 -5.923 -9.277 1.00 0.00 H ATOM 1743 HZ3 LYS A 909 -4.880 -5.846 -10.216 1.00 0.00 H ATOM 1744 H LYS A 909 -4.919 -6.310 -2.008 1.00 0.00 H ATOM 1745 N SER A 910 -1.894 -6.130 -3.012 1.00 42.02 N ATOM 1746 CA SER A 910 -0.438 -6.006 -3.012 1.00 41.93 C ATOM 1747 C SER A 910 0.210 -6.492 -1.693 1.00 46.71 C ATOM 1748 O SER A 910 0.379 -5.703 -0.756 1.00 44.84 O ATOM 1749 CB SER A 910 -0.025 -4.570 -3.344 1.00 46.01 C ATOM 1750 OG SER A 910 -0.799 -4.015 -4.397 1.00 52.14 O ATOM 1751 HG SER A 910 -0.496 -3.089 -4.575 1.00 0.00 H ATOM 1752 H SER A 910 -2.428 -5.789 -2.187 1.00 0.00 H ATOM 1753 N PRO A 911 0.592 -7.789 -1.592 1.00 46.01 N ATOM 1754 CA PRO A 911 1.242 -8.265 -0.351 1.00 45.86 C ATOM 1755 C PRO A 911 2.683 -7.770 -0.216 1.00 48.97 C ATOM 1756 O PRO A 911 3.268 -7.874 0.859 1.00 48.50 O ATOM 1757 CB PRO A 911 1.157 -9.786 -0.467 1.00 48.64 C ATOM 1758 CG PRO A 911 1.124 -10.057 -1.926 1.00 53.91 C ATOM 1759 CD PRO A 911 0.465 -8.874 -2.590 1.00 48.76 C ATOM 1760 N ASN A 912 3.235 -7.214 -1.317 1.00 45.21 N ATOM 1761 CA ASN A 912 4.564 -6.611 -1.443 1.00 44.72 C ATOM 1762 C ASN A 912 5.707 -7.566 -0.986 1.00 49.15 C ATOM 1763 O ASN A 912 5.623 -8.754 -1.298 1.00 49.40 O ATOM 1764 CB ASN A 912 4.596 -5.236 -0.762 1.00 44.21 C ATOM 1765 CG ASN A 912 3.681 -4.205 -1.406 1.00 55.63 C ATOM 1766 OD1 ASN A 912 3.461 -4.169 -2.625 1.00 50.43 O ATOM 1767 ND2 ASN A 912 3.145 -3.323 -0.603 1.00 45.89 N ATOM 1768 HD22 ASN A 912 3.338 -3.365 0.418 1.00 0.00 H ATOM 1769 HD21 ASN A 912 2.526 -2.580 -0.985 1.00 0.00 H ATOM 1770 H ASN A 912 2.648 -7.214 -2.175 1.00 0.00 H ATOM 1771 N ASN A 913 6.771 -7.073 -0.300 1.00 45.38 N ATOM 1772 CA ASN A 913 7.925 -7.920 0.068 1.00 44.88 C ATOM 1773 C ASN A 913 7.698 -8.854 1.286 1.00 48.49 C ATOM 1774 O ASN A 913 8.603 -9.608 1.647 1.00 48.26 O ATOM 1775 CB ASN A 913 9.205 -7.071 0.258 1.00 42.73 C ATOM 1776 CG ASN A 913 9.320 -6.251 1.532 1.00 53.09 C ATOM 1777 OD1 ASN A 913 8.443 -6.242 2.409 1.00 43.14 O ATOM 1778 ND2 ASN A 913 10.438 -5.550 1.672 1.00 40.08 N ATOM 1779 HD22 ASN A 913 11.162 -5.571 0.925 1.00 0.00 H ATOM 1780 HD21 ASN A 913 10.591 -4.980 2.528 1.00 0.00 H ATOM 1781 H ASN A 913 6.774 -6.070 -0.026 1.00 0.00 H ATOM 1782 N SER A 914 6.502 -8.821 1.898 1.00 44.62 N ATOM 1783 CA SER A 914 6.203 -9.653 3.068 1.00 43.59 C ATOM 1784 C SER A 914 5.747 -11.072 2.719 1.00 49.72 C ATOM 1785 O SER A 914 5.591 -11.903 3.618 1.00 49.93 O ATOM 1786 CB SER A 914 5.196 -8.951 3.972 1.00 43.61 C ATOM 1787 OG SER A 914 5.651 -7.632 4.241 1.00 40.75 O ATOM 1788 HG SER A 914 4.999 -7.173 4.828 1.00 0.00 H ATOM 1789 H SER A 914 5.765 -8.186 1.530 1.00 0.00 H ATOM 1790 N GLY A 915 5.580 -11.336 1.421 1.00 46.48 N ATOM 1791 CA GLY A 915 5.168 -12.633 0.895 1.00 46.76 C ATOM 1792 C GLY A 915 3.675 -12.724 0.667 1.00 48.62 C ATOM 1793 O GLY A 915 3.188 -12.387 -0.416 1.00 47.62 O ATOM 1794 H GLY A 915 5.755 -10.568 0.742 1.00 0.00 H ATOM 1795 N GLN A 916 2.943 -13.191 1.695 1.00 43.99 N ATOM 1796 CA GLN A 916 1.493 -13.378 1.655 1.00 43.28 C ATOM 1797 C GLN A 916 0.760 -12.158 2.195 1.00 42.99 C ATOM 1798 O GLN A 916 1.349 -11.357 2.942 1.00 40.04 O ATOM 1799 CB GLN A 916 1.093 -14.652 2.433 1.00 45.68 C ATOM 1800 CG GLN A 916 -0.058 -15.435 1.812 1.00 57.24 C ATOM 1801 CD GLN A 916 0.283 -16.124 0.507 1.00 76.36 C ATOM 1802 OE1 GLN A 916 -0.564 -16.247 -0.382 1.00 74.50 O ATOM 1803 NE2 GLN A 916 1.519 -16.595 0.353 1.00 65.12 N ATOM 1804 HE22 GLN A 916 2.218 -16.481 1.115 1.00 0.00 H ATOM 1805 HE21 GLN A 916 1.786 -17.077 -0.529 1.00 0.00 H ATOM 1806 H GLN A 916 3.441 -13.435 2.575 1.00 0.00 H ATOM 1807 N SER A 917 -0.528 -12.009 1.805 1.00 36.85 N ATOM 1808 CA SER A 917 -1.335 -10.874 2.238 1.00 34.08 C ATOM 1809 C SER A 917 -1.465 -10.788 3.734 1.00 32.64 C ATOM 1810 O SER A 917 -1.238 -9.704 4.265 1.00 30.32 O ATOM 1811 CB SER A 917 -2.697 -10.864 1.558 1.00 36.78 C ATOM 1812 OG SER A 917 -2.502 -10.646 0.171 1.00 47.73 O ATOM 1813 HG SER A 917 -2.048 -9.777 0.035 1.00 0.00 H ATOM 1814 H SER A 917 -0.953 -12.723 1.180 1.00 0.00 H ATOM 1815 N TRP A 918 -1.762 -11.906 4.435 1.00 27.28 N ATOM 1816 CA TRP A 918 -1.871 -11.830 5.896 1.00 26.07 C ATOM 1817 C TRP A 918 -0.561 -11.399 6.552 1.00 26.15 C ATOM 1818 O TRP A 918 -0.590 -10.687 7.557 1.00 25.84 O ATOM 1819 CB TRP A 918 -2.421 -13.125 6.529 1.00 25.73 C ATOM 1820 CG TRP A 918 -1.538 -14.328 6.384 1.00 27.01 C ATOM 1821 CD1 TRP A 918 -1.566 -15.247 5.374 1.00 30.71 C ATOM 1822 CD2 TRP A 918 -0.484 -14.740 7.272 1.00 26.78 C ATOM 1823 NE1 TRP A 918 -0.606 -16.207 5.580 1.00 30.46 N ATOM 1824 CE2 TRP A 918 0.073 -15.925 6.738 1.00 31.25 C ATOM 1825 CE3 TRP A 918 0.062 -14.212 8.453 1.00 28.11 C ATOM 1826 CZ2 TRP A 918 1.140 -16.601 7.350 1.00 31.61 C ATOM 1827 CZ3 TRP A 918 1.127 -14.877 9.059 1.00 30.22 C ATOM 1828 CH2 TRP A 918 1.644 -16.067 8.514 1.00 31.61 C ATOM 1829 HE1 TRP A 918 -0.423 -17.019 4.957 1.00 0.00 H ATOM 1830 H TRP A 918 -1.912 -12.810 3.943 1.00 0.00 H ATOM 1831 N GLN A 919 0.582 -11.852 6.008 1.00 23.04 N ATOM 1832 CA GLN A 919 1.884 -11.516 6.566 1.00 22.52 C ATOM 1833 C GLN A 919 2.089 -10.019 6.491 1.00 24.29 C ATOM 1834 O GLN A 919 2.428 -9.404 7.500 1.00 23.32 O ATOM 1835 CB GLN A 919 3.013 -12.278 5.849 1.00 23.39 C ATOM 1836 CG GLN A 919 3.049 -13.751 6.272 1.00 28.95 C ATOM 1837 CD GLN A 919 4.005 -14.659 5.519 1.00 48.87 C ATOM 1838 OE1 GLN A 919 4.696 -15.506 6.110 1.00 47.48 O ATOM 1839 NE2 GLN A 919 4.043 -14.547 4.203 1.00 33.52 N ATOM 1840 HE22 GLN A 919 3.458 -13.832 3.725 1.00 0.00 H ATOM 1841 HE21 GLN A 919 4.658 -15.173 3.645 1.00 0.00 H ATOM 1842 H GLN A 919 0.535 -12.459 5.165 1.00 0.00 H ATOM 1843 N ARG A 920 1.772 -9.413 5.330 1.00 21.26 N ATOM 1844 CA ARG A 920 1.922 -7.962 5.167 1.00 21.10 C ATOM 1845 C ARG A 920 1.045 -7.225 6.152 1.00 21.62 C ATOM 1846 O ARG A 920 1.496 -6.263 6.791 1.00 21.18 O ATOM 1847 CB ARG A 920 1.552 -7.549 3.722 1.00 21.28 C ATOM 1848 CG ARG A 920 1.755 -6.058 3.417 1.00 25.35 C ATOM 1849 CD ARG A 920 3.211 -5.794 3.296 1.00 21.69 C ATOM 1850 NE ARG A 920 3.557 -4.450 2.806 1.00 22.39 N ATOM 1851 CZ ARG A 920 4.818 -4.059 2.641 1.00 27.36 C ATOM 1852 NH1 ARG A 920 5.821 -4.907 2.881 1.00 25.12 N ATOM 1853 NH2 ARG A 920 5.091 -2.822 2.239 1.00 20.28 N ATOM 1854 HE ARG A 920 2.791 -3.784 2.581 1.00 0.00 H ATOM 1855 HH12 ARG A 920 6.806 -4.598 2.751 1.00 0.00 H ATOM 1856 HH11 ARG A 920 5.618 -5.876 3.198 1.00 0.00 H ATOM 1857 HH22 ARG A 920 6.079 -2.523 2.112 1.00 0.00 H ATOM 1858 HH21 ARG A 920 4.317 -2.153 2.051 1.00 0.00 H ATOM 1859 H ARG A 920 1.415 -9.983 4.536 1.00 0.00 H ATOM 1860 N PHE A 921 -0.231 -7.651 6.245 1.00 19.04 N ATOM 1861 CA PHE A 921 -1.193 -7.008 7.119 1.00 18.16 C ATOM 1862 C PHE A 921 -0.694 -6.921 8.560 1.00 19.47 C ATOM 1863 O PHE A 921 -0.732 -5.836 9.142 1.00 18.92 O ATOM 1864 CB PHE A 921 -2.546 -7.743 7.061 1.00 21.27 C ATOM 1865 CG PHE A 921 -3.653 -7.081 7.854 1.00 23.09 C ATOM 1866 CD1 PHE A 921 -4.266 -5.920 7.391 1.00 27.87 C ATOM 1867 CD2 PHE A 921 -4.019 -7.567 9.105 1.00 25.62 C ATOM 1868 CE1 PHE A 921 -5.270 -5.292 8.140 1.00 28.27 C ATOM 1869 CE2 PHE A 921 -5.013 -6.930 9.863 1.00 27.38 C ATOM 1870 CZ PHE A 921 -5.644 -5.806 9.362 1.00 26.32 C ATOM 1871 H PHE A 921 -0.534 -8.465 5.673 1.00 0.00 H ATOM 1872 N TYR A 922 -0.203 -8.038 9.117 1.00 19.20 N ATOM 1873 CA TYR A 922 0.275 -8.022 10.505 1.00 17.74 C ATOM 1874 C TYR A 922 1.566 -7.246 10.682 1.00 19.72 C ATOM 1875 O TYR A 922 1.772 -6.691 11.752 1.00 20.30 O ATOM 1876 CB TYR A 922 0.378 -9.439 11.086 1.00 19.62 C ATOM 1877 CG TYR A 922 -0.986 -10.055 11.311 1.00 21.66 C ATOM 1878 CD1 TYR A 922 -1.828 -9.588 12.318 1.00 23.93 C ATOM 1879 CD2 TYR A 922 -1.429 -11.113 10.532 1.00 23.06 C ATOM 1880 CE1 TYR A 922 -3.074 -10.170 12.550 1.00 25.15 C ATOM 1881 CE2 TYR A 922 -2.672 -11.708 10.757 1.00 25.14 C ATOM 1882 CZ TYR A 922 -3.492 -11.231 11.766 1.00 27.47 C ATOM 1883 OH TYR A 922 -4.724 -11.801 11.965 1.00 26.85 O ATOM 1884 HH TYR A 922 -5.179 -11.347 12.718 1.00 0.00 H ATOM 1885 H TYR A 922 -0.161 -8.918 8.564 1.00 0.00 H ATOM 1886 N GLN A 923 2.424 -7.155 9.645 1.00 19.00 N ATOM 1887 CA GLN A 923 3.613 -6.283 9.771 1.00 18.61 C ATOM 1888 C GLN A 923 3.137 -4.822 9.885 1.00 20.29 C ATOM 1889 O GLN A 923 3.716 -4.057 10.663 1.00 19.56 O ATOM 1890 CB GLN A 923 4.524 -6.409 8.532 1.00 20.27 C ATOM 1891 CG GLN A 923 5.264 -7.754 8.460 1.00 22.94 C ATOM 1892 CD GLN A 923 6.256 -7.935 9.593 1.00 58.54 C ATOM 1893 OE1 GLN A 923 7.106 -7.073 9.871 1.00 56.40 O ATOM 1894 NE2 GLN A 923 6.165 -9.063 10.283 1.00 56.73 N ATOM 1895 HE22 GLN A 923 5.445 -9.770 10.031 1.00 0.00 H ATOM 1896 HE21 GLN A 923 6.814 -9.241 11.076 1.00 0.00 H ATOM 1897 H GLN A 923 2.252 -7.690 8.770 1.00 0.00 H ATOM 1898 N LEU A 924 2.098 -4.435 9.115 1.00 16.91 N ATOM 1899 CA LEU A 924 1.605 -3.035 9.149 1.00 17.05 C ATOM 1900 C LEU A 924 0.895 -2.703 10.438 1.00 17.78 C ATOM 1901 O LEU A 924 1.081 -1.616 10.986 1.00 18.12 O ATOM 1902 CB LEU A 924 0.739 -2.703 7.924 1.00 16.86 C ATOM 1903 CG LEU A 924 1.412 -2.912 6.552 1.00 21.08 C ATOM 1904 CD1 LEU A 924 0.536 -2.382 5.455 1.00 21.91 C ATOM 1905 CD2 LEU A 924 2.781 -2.248 6.482 1.00 21.58 C ATOM 1906 H LEU A 924 1.637 -5.126 8.490 1.00 0.00 H ATOM 1907 N THR A 925 0.075 -3.640 10.955 1.00 16.36 N ATOM 1908 CA THR A 925 -0.596 -3.368 12.214 1.00 16.41 C ATOM 1909 C THR A 925 0.389 -3.347 13.388 1.00 18.64 C ATOM 1910 O THR A 925 0.218 -2.532 14.300 1.00 17.94 O ATOM 1911 CB THR A 925 -1.769 -4.321 12.438 1.00 17.47 C ATOM 1912 OG1 THR A 925 -1.266 -5.663 12.406 1.00 19.01 O ATOM 1913 CG2 THR A 925 -2.847 -4.125 11.391 1.00 19.68 C ATOM 1914 HG1 THR A 925 -2.012 -6.297 12.550 1.00 0.00 H ATOM 1915 H THR A 925 -0.075 -4.543 10.460 1.00 0.00 H ATOM 1916 N LYS A 926 1.444 -4.194 13.350 1.00 17.74 N ATOM 1917 CA LYS A 926 2.487 -4.177 14.382 1.00 16.57 C ATOM 1918 C LYS A 926 3.195 -2.804 14.336 1.00 18.44 C ATOM 1919 O LYS A 926 3.452 -2.219 15.390 1.00 19.22 O ATOM 1920 CB LYS A 926 3.495 -5.307 14.153 1.00 18.86 C ATOM 1921 CG LYS A 926 4.624 -5.344 15.202 1.00 28.29 C ATOM 1922 CD LYS A 926 5.618 -6.494 14.933 1.00 36.62 C ATOM 1923 CE LYS A 926 6.692 -6.565 15.997 1.00 47.15 C ATOM 1924 NZ LYS A 926 7.524 -7.792 15.854 1.00 55.08 N ATOM 1925 HZ1 LYS A 926 6.918 -8.633 15.942 1.00 0.00 H ATOM 1926 HZ2 LYS A 926 7.984 -7.791 14.921 1.00 0.00 H ATOM 1927 HZ3 LYS A 926 8.249 -7.807 16.600 1.00 0.00 H ATOM 1928 H LYS A 926 1.517 -4.876 12.568 1.00 0.00 H ATOM 1929 N LEU A 927 3.452 -2.288 13.135 1.00 17.30 N ATOM 1930 CA LEU A 927 4.110 -0.971 13.014 1.00 17.90 C ATOM 1931 C LEU A 927 3.194 0.134 13.561 1.00 20.08 C ATOM 1932 O LEU A 927 3.650 0.987 14.332 1.00 19.01 O ATOM 1933 CB LEU A 927 4.474 -0.741 11.532 1.00 17.82 C ATOM 1934 CG LEU A 927 5.073 0.593 11.126 1.00 23.23 C ATOM 1935 CD1 LEU A 927 6.336 0.914 11.940 1.00 25.34 C ATOM 1936 CD2 LEU A 927 5.404 0.546 9.644 1.00 24.16 C ATOM 1937 H LEU A 927 3.188 -2.815 12.278 1.00 0.00 H ATOM 1938 N LEU A 928 1.891 0.098 13.225 1.00 17.37 N ATOM 1939 CA LEU A 928 0.959 1.101 13.752 1.00 17.16 C ATOM 1940 C LEU A 928 0.947 1.050 15.291 1.00 18.61 C ATOM 1941 O LEU A 928 1.034 2.080 15.953 1.00 18.52 O ATOM 1942 CB LEU A 928 -0.459 0.859 13.219 1.00 18.42 C ATOM 1943 CG LEU A 928 -0.715 1.324 11.768 1.00 22.92 C ATOM 1944 CD1 LEU A 928 -2.032 0.778 11.240 1.00 24.25 C ATOM 1945 CD2 LEU A 928 -0.758 2.863 11.705 1.00 24.67 C ATOM 1946 H LEU A 928 1.543 -0.646 12.587 1.00 0.00 H ATOM 1947 N ASP A 929 0.823 -0.153 15.879 1.00 17.74 N ATOM 1948 CA ASP A 929 0.819 -0.249 17.331 1.00 17.05 C ATOM 1949 C ASP A 929 2.098 0.286 17.963 1.00 19.24 C ATOM 1950 O ASP A 929 2.007 0.876 19.033 1.00 19.68 O ATOM 1951 CB ASP A 929 0.651 -1.715 17.760 1.00 17.80 C ATOM 1952 CG ASP A 929 -0.762 -2.263 17.665 1.00 19.89 C ATOM 1953 OD1 ASP A 929 -1.699 -1.472 17.357 1.00 19.82 O ATOM 1954 OD2 ASP A 929 -0.938 -3.491 17.924 1.00 22.00 O ATOM 1955 H ASP A 929 0.730 -1.011 15.299 1.00 0.00 H ATOM 1956 N SER A 930 3.263 0.092 17.334 1.00 18.50 N ATOM 1957 CA SER A 930 4.551 0.560 17.872 1.00 17.76 C ATOM 1958 C SER A 930 4.620 2.089 17.956 1.00 19.49 C ATOM 1959 O SER A 930 5.414 2.615 18.734 1.00 20.47 O ATOM 1960 CB SER A 930 5.715 0.004 17.061 1.00 20.56 C ATOM 1961 OG SER A 930 5.873 0.701 15.834 1.00 22.09 O ATOM 1962 HG SER A 930 6.635 0.316 15.333 1.00 0.00 H ATOM 1963 H SER A 930 3.258 -0.412 16.424 1.00 0.00 H ATOM 1964 N MET A 931 3.766 2.790 17.202 1.00 16.76 N ATOM 1965 CA MET A 931 3.781 4.256 17.244 1.00 15.95 C ATOM 1966 C MET A 931 3.344 4.760 18.619 1.00 21.50 C ATOM 1967 O MET A 931 3.792 5.832 19.018 1.00 20.88 O ATOM 1968 CB MET A 931 2.862 4.836 16.171 1.00 17.76 C ATOM 1969 CG MET A 931 3.334 4.612 14.727 1.00 18.96 C ATOM 1970 SD MET A 931 4.957 5.375 14.382 1.00 20.61 S ATOM 1971 CE MET A 931 4.553 7.133 14.581 1.00 19.83 C ATOM 1972 H MET A 931 3.091 2.295 16.585 1.00 0.00 H ATOM 1973 N HIS A 932 2.424 4.053 19.315 1.00 17.87 N ATOM 1974 CA HIS A 932 1.927 4.564 20.609 1.00 17.69 C ATOM 1975 C HIS A 932 3.066 4.780 21.612 1.00 20.21 C ATOM 1976 O HIS A 932 3.102 5.824 22.280 1.00 18.98 O ATOM 1977 CB HIS A 932 0.864 3.638 21.222 1.00 19.35 C ATOM 1978 CG HIS A 932 -0.478 3.666 20.563 1.00 22.82 C ATOM 1979 ND1 HIS A 932 -1.203 4.837 20.457 1.00 25.23 N ATOM 1980 CD2 HIS A 932 -1.238 2.639 20.106 1.00 25.56 C ATOM 1981 CE1 HIS A 932 -2.367 4.498 19.923 1.00 24.79 C ATOM 1982 NE2 HIS A 932 -2.431 3.188 19.691 1.00 25.25 N ATOM 1983 H HIS A 932 2.067 3.151 18.940 1.00 0.00 H ATOM 1984 N ASP A 933 4.000 3.818 21.728 1.00 19.24 N ATOM 1985 CA ASP A 933 5.087 3.999 22.713 1.00 20.40 C ATOM 1986 C ASP A 933 6.032 5.140 22.355 1.00 21.42 C ATOM 1987 O ASP A 933 6.402 5.926 23.230 1.00 21.52 O ATOM 1988 CB ASP A 933 5.858 2.694 22.936 1.00 23.58 C ATOM 1989 CG ASP A 933 5.147 1.679 23.835 1.00 35.41 C ATOM 1990 OD1 ASP A 933 4.144 2.051 24.483 1.00 35.61 O ATOM 1991 OD2 ASP A 933 5.605 0.525 23.901 1.00 39.99 O ATOM 1992 H ASP A 933 3.958 2.964 21.136 1.00 0.00 H ATOM 1993 N LEU A 934 6.373 5.278 21.064 1.00 18.82 N ATOM 1994 CA LEU A 934 7.256 6.367 20.638 1.00 18.94 C ATOM 1995 C LEU A 934 6.562 7.714 20.862 1.00 18.27 C ATOM 1996 O LEU A 934 7.161 8.659 21.373 1.00 17.87 O ATOM 1997 CB LEU A 934 7.570 6.210 19.142 1.00 19.57 C ATOM 1998 CG LEU A 934 8.360 7.382 18.545 1.00 26.52 C ATOM 1999 CD1 LEU A 934 9.774 7.485 19.157 1.00 27.56 C ATOM 2000 CD2 LEU A 934 8.390 7.288 17.051 1.00 34.77 C ATOM 2001 H LEU A 934 6.007 4.606 20.360 1.00 0.00 H ATOM 2002 N VAL A 935 5.292 7.798 20.504 1.00 15.74 N ATOM 2003 CA VAL A 935 4.567 9.070 20.651 1.00 14.87 C ATOM 2004 C VAL A 935 4.405 9.437 22.134 1.00 17.80 C ATOM 2005 O VAL A 935 4.499 10.612 22.489 1.00 18.37 O ATOM 2006 CB VAL A 935 3.219 8.949 19.911 1.00 19.32 C ATOM 2007 CG1 VAL A 935 2.260 10.076 20.289 1.00 20.93 C ATOM 2008 CG2 VAL A 935 3.472 8.910 18.394 1.00 19.13 C ATOM 2009 H VAL A 935 4.805 6.964 20.118 1.00 0.00 H ATOM 2010 N SER A 936 4.164 8.447 23.002 1.00 17.12 N ATOM 2011 CA SER A 936 4.070 8.697 24.449 1.00 18.15 C ATOM 2012 C SER A 936 5.382 9.353 24.919 1.00 21.01 C ATOM 2013 O SER A 936 5.342 10.320 25.689 1.00 20.56 O ATOM 2014 CB SER A 936 3.854 7.373 25.186 1.00 23.69 C ATOM 2015 OG SER A 936 3.837 7.533 26.594 1.00 34.59 O ATOM 2016 HG SER A 936 4.702 7.911 26.892 1.00 0.00 H ATOM 2017 H SER A 936 4.040 7.478 22.645 1.00 0.00 H ATOM 2018 N ASP A 937 6.536 8.858 24.438 1.00 17.76 N ATOM 2019 CA ASP A 937 7.843 9.412 24.833 1.00 17.04 C ATOM 2020 C ASP A 937 8.040 10.830 24.279 1.00 18.62 C ATOM 2021 O ASP A 937 8.523 11.708 24.994 1.00 18.89 O ATOM 2022 CB ASP A 937 8.951 8.450 24.370 1.00 19.16 C ATOM 2023 CG ASP A 937 8.998 7.170 25.198 1.00 28.52 C ATOM 2024 OD1 ASP A 937 8.345 7.123 26.253 1.00 30.20 O ATOM 2025 OD2 ASP A 937 9.679 6.222 24.778 1.00 32.64 O ATOM 2026 H ASP A 937 6.505 8.062 23.769 1.00 0.00 H ATOM 2027 N LEU A 938 7.635 11.056 23.031 1.00 16.18 N ATOM 2028 CA LEU A 938 7.721 12.387 22.401 1.00 14.95 C ATOM 2029 C LEU A 938 6.846 13.377 23.170 1.00 16.95 C ATOM 2030 O LEU A 938 7.294 14.493 23.478 1.00 17.64 O ATOM 2031 CB LEU A 938 7.308 12.351 20.918 1.00 15.11 C ATOM 2032 CG LEU A 938 8.279 11.677 19.963 1.00 16.75 C ATOM 2033 CD1 LEU A 938 7.641 11.481 18.611 1.00 17.05 C ATOM 2034 CD2 LEU A 938 9.586 12.507 19.814 1.00 18.64 C ATOM 2035 H LEU A 938 7.244 10.265 22.480 1.00 0.00 H ATOM 2036 N LEU A 939 5.599 12.966 23.488 1.00 14.66 N ATOM 2037 CA LEU A 939 4.689 13.851 24.256 1.00 14.60 C ATOM 2038 C LEU A 939 5.224 14.141 25.647 1.00 19.30 C ATOM 2039 O LEU A 939 5.070 15.269 26.127 1.00 19.11 O ATOM 2040 CB LEU A 939 3.284 13.229 24.356 1.00 15.34 C ATOM 2041 CG LEU A 939 2.486 13.272 23.053 1.00 18.34 C ATOM 2042 CD1 LEU A 939 1.270 12.359 23.148 1.00 18.67 C ATOM 2043 CD2 LEU A 939 2.096 14.724 22.673 1.00 17.07 C ATOM 2044 H LEU A 939 5.275 12.023 23.193 1.00 0.00 H ATOM 2045 N GLU A 940 5.827 13.163 26.316 1.00 18.06 N ATOM 2046 CA GLU A 940 6.378 13.426 27.651 1.00 18.48 C ATOM 2047 C GLU A 940 7.396 14.581 27.605 1.00 19.83 C ATOM 2048 O GLU A 940 7.351 15.484 28.469 1.00 20.10 O ATOM 2049 CB GLU A 940 7.001 12.165 28.257 1.00 21.27 C ATOM 2050 CG GLU A 940 7.542 12.358 29.668 1.00 31.10 C ATOM 2051 CD GLU A 940 8.041 11.099 30.352 1.00 57.72 C ATOM 2052 OE1 GLU A 940 7.309 10.084 30.342 1.00 61.10 O ATOM 2053 OE2 GLU A 940 9.157 11.134 30.919 1.00 56.14 O ATOM 2054 H GLU A 940 5.908 12.215 25.895 1.00 0.00 H ATOM 2055 N PHE A 941 8.259 14.602 26.564 1.00 17.48 N ATOM 2056 CA PHE A 941 9.244 15.676 26.474 1.00 18.23 C ATOM 2057 C PHE A 941 8.602 16.982 26.050 1.00 20.35 C ATOM 2058 O PHE A 941 9.006 18.054 26.527 1.00 19.49 O ATOM 2059 CB PHE A 941 10.376 15.288 25.519 1.00 19.22 C ATOM 2060 CG PHE A 941 11.524 16.260 25.574 1.00 19.28 C ATOM 2061 CD1 PHE A 941 12.219 16.479 26.762 1.00 24.18 C ATOM 2062 CD2 PHE A 941 11.910 16.962 24.446 1.00 19.43 C ATOM 2063 CE1 PHE A 941 13.302 17.377 26.810 1.00 25.96 C ATOM 2064 CE2 PHE A 941 12.998 17.850 24.493 1.00 21.18 C ATOM 2065 CZ PHE A 941 13.702 18.032 25.665 1.00 21.97 C ATOM 2066 H PHE A 941 8.221 13.861 25.835 1.00 0.00 H ATOM 2067 N CYS A 942 7.617 16.907 25.147 1.00 17.96 N ATOM 2068 CA CYS A 942 6.907 18.106 24.684 1.00 17.43 C ATOM 2069 C CYS A 942 6.179 18.758 25.853 1.00 20.19 C ATOM 2070 O CYS A 942 6.236 19.982 26.008 1.00 19.26 O ATOM 2071 CB CYS A 942 5.942 17.736 23.569 1.00 17.47 C ATOM 2072 SG CYS A 942 5.238 19.163 22.724 1.00 21.28 S ATOM 2073 H CYS A 942 7.348 15.978 24.764 1.00 0.00 H ATOM 2074 N PHE A 943 5.480 17.944 26.661 1.00 16.62 N ATOM 2075 CA PHE A 943 4.776 18.471 27.838 1.00 16.94 C ATOM 2076 C PHE A 943 5.738 19.073 28.838 1.00 19.52 C ATOM 2077 O PHE A 943 5.426 20.106 29.443 1.00 20.13 O ATOM 2078 CB PHE A 943 3.951 17.365 28.501 1.00 18.24 C ATOM 2079 CG PHE A 943 2.813 16.785 27.685 1.00 17.37 C ATOM 2080 CD1 PHE A 943 2.283 17.474 26.587 1.00 18.33 C ATOM 2081 CD2 PHE A 943 2.222 15.580 28.055 1.00 18.84 C ATOM 2082 CE1 PHE A 943 1.195 16.947 25.864 1.00 19.01 C ATOM 2083 CE2 PHE A 943 1.141 15.056 27.329 1.00 20.81 C ATOM 2084 CZ PHE A 943 0.636 15.733 26.239 1.00 19.05 C ATOM 2085 H PHE A 943 5.436 16.926 26.451 1.00 0.00 H ATOM 2086 N TYR A 944 6.931 18.472 28.994 1.00 19.39 N ATOM 2087 CA TYR A 944 7.945 18.997 29.896 1.00 19.50 C ATOM 2088 C TYR A 944 8.418 20.401 29.442 1.00 21.52 C ATOM 2089 O TYR A 944 8.412 21.348 30.248 1.00 21.19 O ATOM 2090 CB TYR A 944 9.118 17.997 29.977 1.00 21.10 C ATOM 2091 CG TYR A 944 10.334 18.544 30.692 1.00 26.90 C ATOM 2092 CD1 TYR A 944 10.401 18.553 32.081 1.00 30.81 C ATOM 2093 CD2 TYR A 944 11.397 19.089 29.981 1.00 28.27 C ATOM 2094 CE1 TYR A 944 11.504 19.087 32.747 1.00 33.56 C ATOM 2095 CE2 TYR A 944 12.501 19.636 30.636 1.00 30.81 C ATOM 2096 CZ TYR A 944 12.550 19.629 32.021 1.00 40.33 C ATOM 2097 OH TYR A 944 13.638 20.148 32.684 1.00 45.84 O ATOM 2098 HH TYR A 944 13.501 20.059 33.660 1.00 0.00 H ATOM 2099 H TYR A 944 7.135 17.607 28.454 1.00 0.00 H ATOM 2100 N THR A 945 8.783 20.550 28.156 1.00 19.25 N ATOM 2101 CA THR A 945 9.258 21.864 27.675 1.00 18.78 C ATOM 2102 C THR A 945 8.127 22.899 27.682 1.00 21.49 C ATOM 2103 O THR A 945 8.380 24.095 27.923 1.00 21.56 O ATOM 2104 CB THR A 945 9.965 21.772 26.307 1.00 24.27 C ATOM 2105 OG1 THR A 945 8.999 21.494 25.310 1.00 24.80 O ATOM 2106 CG2 THR A 945 11.024 20.655 26.272 1.00 18.31 C ATOM 2107 HG1 THR A 945 9.445 21.433 24.428 1.00 0.00 H ATOM 2108 H THR A 945 8.731 19.743 27.502 1.00 0.00 H ATOM 2109 N PHE A 946 6.883 22.431 27.450 1.00 18.42 N ATOM 2110 CA PHE A 946 5.737 23.339 27.462 1.00 18.43 C ATOM 2111 C PHE A 946 5.488 23.910 28.854 1.00 22.43 C ATOM 2112 O PHE A 946 5.254 25.122 29.015 1.00 23.01 O ATOM 2113 CB PHE A 946 4.491 22.588 26.969 1.00 19.08 C ATOM 2114 CG PHE A 946 3.285 23.469 26.767 1.00 19.94 C ATOM 2115 CD1 PHE A 946 3.178 24.275 25.636 1.00 23.74 C ATOM 2116 CD2 PHE A 946 2.221 23.435 27.664 1.00 23.16 C ATOM 2117 CE1 PHE A 946 2.036 25.051 25.416 1.00 25.00 C ATOM 2118 CE2 PHE A 946 1.075 24.200 27.438 1.00 25.46 C ATOM 2119 CZ PHE A 946 0.991 25.000 26.315 1.00 24.49 C ATOM 2120 H PHE A 946 6.738 21.418 27.262 1.00 0.00 H ATOM 2121 N ARG A 947 5.601 23.062 29.876 1.00 20.37 N ATOM 2122 CA ARG A 947 5.299 23.494 31.240 1.00 22.56 C ATOM 2123 C ARG A 947 6.438 24.167 31.963 1.00 31.91 C ATOM 2124 O ARG A 947 6.189 24.908 32.928 1.00 33.55 O ATOM 2125 CB ARG A 947 4.838 22.305 32.084 1.00 25.07 C ATOM 2126 CG ARG A 947 3.479 21.819 31.672 1.00 32.94 C ATOM 2127 CD ARG A 947 3.041 20.697 32.564 1.00 48.15 C ATOM 2128 NE ARG A 947 3.879 19.519 32.363 1.00 59.63 N ATOM 2129 CZ ARG A 947 3.723 18.384 33.023 1.00 71.62 C ATOM 2130 NH1 ARG A 947 4.528 17.357 32.784 1.00 58.40 N ATOM 2131 NH2 ARG A 947 2.749 18.256 33.917 1.00 56.52 N ATOM 2132 HE ARG A 947 4.643 19.576 31.660 1.00 0.00 H ATOM 2133 HH12 ARG A 947 4.402 16.466 33.305 1.00 0.00 H ATOM 2134 HH11 ARG A 947 5.285 17.443 32.076 1.00 0.00 H ATOM 2135 HH22 ARG A 947 2.631 17.361 34.433 1.00 0.00 H ATOM 2136 HH21 ARG A 947 2.104 19.051 34.101 1.00 0.00 H ATOM 2137 H ARG A 947 5.907 22.083 29.702 1.00 0.00 H ATOM 2138 N GLU A 948 7.646 23.873 31.579 1.00 30.03 N ATOM 2139 CA GLU A 948 8.721 24.416 32.349 1.00 33.38 C ATOM 2140 C GLU A 948 9.365 25.613 31.658 1.00 41.47 C ATOM 2141 O GLU A 948 10.241 26.213 32.215 1.00 44.01 O ATOM 2142 CB GLU A 948 9.712 23.320 32.794 1.00 35.09 C ATOM 2143 CG GLU A 948 9.131 21.930 33.078 1.00 47.31 C ATOM 2144 CD GLU A 948 8.809 21.605 34.530 1.00 75.13 C ATOM 2145 OE1 GLU A 948 8.193 22.418 35.228 1.00 70.46 O ATOM 2146 OE2 GLU A 948 9.135 20.494 34.974 1.00 72.60 O ATOM 2147 H GLU A 948 7.821 23.270 30.750 1.00 0.00 H ATOM 2148 N SER A 949 8.883 25.971 30.464 1.00 40.16 N ATOM 2149 CA SER A 949 9.420 27.072 29.638 1.00 73.19 C ATOM 2150 C SER A 949 8.906 28.524 29.856 1.00 99.21 C ATOM 2151 O SER A 949 7.713 28.809 29.970 1.00 65.93 O ATOM 2152 CB SER A 949 9.381 26.736 28.141 1.00 75.70 C ATOM 2153 OG SER A 949 8.164 27.057 27.511 1.00 80.99 O ATOM 2154 HG SER A 949 7.996 28.029 27.596 1.00 0.00 H ATOM 2155 H SER A 949 8.073 25.437 30.090 1.00 0.00 H TER 2156 SER A 949 ATOM 2157 N LYS A 953 12.953 29.456 27.262 1.00 38.43 N ATOM 2158 CA LYS A 953 13.219 29.984 25.922 1.00 37.32 C ATOM 2159 C LYS A 953 12.702 29.080 24.769 1.00 34.70 C ATOM 2160 O LYS A 953 13.011 29.354 23.601 1.00 35.88 O ATOM 2161 CB LYS A 953 14.712 30.305 25.747 1.00 40.56 C ATOM 2162 CG LYS A 953 15.062 31.741 26.101 1.00 61.79 C ATOM 2163 CD LYS A 953 16.484 32.090 25.678 1.00 74.03 C ATOM 2164 CE LYS A 953 16.751 33.577 25.708 1.00 88.81 C ATOM 2165 NZ LYS A 953 16.901 34.095 27.095 1.00 99.91 N ATOM 2166 HZ1 LYS A 953 16.027 33.913 27.628 1.00 0.00 H ATOM 2167 HZ2 LYS A 953 17.698 33.614 27.559 1.00 0.00 H ATOM 2168 HZ3 LYS A 953 17.083 35.119 27.064 1.00 0.00 H ATOM 2169 HN3 LYS A 953 13.416 28.531 27.367 1.00 0.00 H ATOM 2170 HN2 LYS A 953 11.927 29.348 27.394 1.00 0.00 H ATOM 2171 HN1 LYS A 953 13.328 30.115 27.974 1.00 0.00 H ATOM 2172 N VAL A 954 11.911 28.039 25.077 1.00 26.98 N ATOM 2173 CA VAL A 954 11.359 27.198 24.000 1.00 23.39 C ATOM 2174 C VAL A 954 10.020 27.818 23.650 1.00 25.25 C ATOM 2175 O VAL A 954 9.157 27.918 24.529 1.00 25.16 O ATOM 2176 CB VAL A 954 11.227 25.699 24.332 1.00 24.92 C ATOM 2177 CG1 VAL A 954 10.579 24.938 23.163 1.00 23.33 C ATOM 2178 CG2 VAL A 954 12.600 25.084 24.667 1.00 24.97 C ATOM 2179 H VAL A 954 11.689 27.827 26.071 1.00 0.00 H ATOM 2180 N GLU A 955 9.867 28.267 22.402 1.00 21.20 N ATOM 2181 CA GLU A 955 8.651 28.957 21.980 1.00 20.81 C ATOM 2182 C GLU A 955 7.673 28.007 21.340 1.00 20.21 C ATOM 2183 O GLU A 955 8.084 27.097 20.623 1.00 18.99 O ATOM 2184 CB GLU A 955 8.963 30.085 20.990 1.00 22.73 C ATOM 2185 CG GLU A 955 9.879 31.162 21.555 1.00 34.48 C ATOM 2186 CD GLU A 955 10.213 32.265 20.571 1.00 55.95 C ATOM 2187 OE1 GLU A 955 10.398 31.960 19.371 1.00 51.80 O ATOM 2188 OE2 GLU A 955 10.294 33.437 21.002 1.00 54.15 O ATOM 2189 H GLU A 955 10.633 28.122 21.713 1.00 0.00 H ATOM 2190 N PHE A 956 6.378 28.247 21.572 1.00 18.07 N ATOM 2191 CA PHE A 956 5.313 27.456 20.971 1.00 16.69 C ATOM 2192 C PHE A 956 4.368 28.380 20.187 1.00 18.09 C ATOM 2193 O PHE A 956 3.952 29.418 20.717 1.00 18.70 O ATOM 2194 CB PHE A 956 4.504 26.682 22.041 1.00 17.88 C ATOM 2195 CG PHE A 956 5.225 25.495 22.632 1.00 17.90 C ATOM 2196 CD1 PHE A 956 6.144 25.659 23.675 1.00 20.05 C ATOM 2197 CD2 PHE A 956 4.989 24.208 22.149 1.00 19.40 C ATOM 2198 CE1 PHE A 956 6.844 24.557 24.192 1.00 20.59 C ATOM 2199 CE2 PHE A 956 5.703 23.111 22.658 1.00 20.97 C ATOM 2200 CZ PHE A 956 6.601 23.295 23.694 1.00 19.64 C ATOM 2201 H PHE A 956 6.121 29.030 22.207 1.00 0.00 H ATOM 2202 N PRO A 957 3.958 27.985 18.968 1.00 15.61 N ATOM 2203 CA PRO A 957 2.978 28.799 18.221 1.00 16.15 C ATOM 2204 C PRO A 957 1.571 28.603 18.800 1.00 17.83 C ATOM 2205 O PRO A 957 1.326 27.611 19.502 1.00 18.16 O ATOM 2206 CB PRO A 957 3.043 28.230 16.802 1.00 17.61 C ATOM 2207 CG PRO A 957 3.422 26.798 17.000 1.00 20.69 C ATOM 2208 CD PRO A 957 4.385 26.796 18.186 1.00 16.84 C ATOM 2209 N ALA A 958 0.673 29.556 18.534 1.00 16.18 N ATOM 2210 CA ALA A 958 -0.681 29.532 19.080 1.00 16.20 C ATOM 2211 C ALA A 958 -1.392 28.199 18.833 1.00 19.07 C ATOM 2212 O ALA A 958 -2.083 27.733 19.729 1.00 18.88 O ATOM 2213 CB ALA A 958 -1.507 30.700 18.508 1.00 16.80 C ATOM 2214 H ALA A 958 0.949 30.345 17.915 1.00 0.00 H ATOM 2215 N MET A 959 -1.219 27.607 17.636 1.00 17.51 N ATOM 2216 CA MET A 959 -1.845 26.311 17.314 1.00 19.84 C ATOM 2217 C MET A 959 -1.474 25.232 18.347 1.00 20.60 C ATOM 2218 O MET A 959 -2.359 24.509 18.835 1.00 21.33 O ATOM 2219 CB MET A 959 -1.446 25.896 15.878 1.00 23.69 C ATOM 2220 CG MET A 959 -2.283 24.774 15.265 1.00 30.90 C ATOM 2221 SD MET A 959 -4.012 25.283 14.947 1.00 38.92 S ATOM 2222 CE MET A 959 -4.748 24.609 16.395 1.00 34.99 C ATOM 2223 H MET A 959 -0.628 28.076 16.920 1.00 0.00 H ATOM 2224 N LEU A 960 -0.184 25.141 18.689 1.00 17.86 N ATOM 2225 CA LEU A 960 0.271 24.130 19.654 1.00 17.17 C ATOM 2226 C LEU A 960 -0.079 24.511 21.058 1.00 18.55 C ATOM 2227 O LEU A 960 -0.359 23.626 21.867 1.00 18.46 O ATOM 2228 CB LEU A 960 1.773 23.917 19.569 1.00 18.06 C ATOM 2229 CG LEU A 960 2.280 23.173 18.322 1.00 22.99 C ATOM 2230 CD1 LEU A 960 3.663 22.579 18.598 1.00 22.72 C ATOM 2231 CD2 LEU A 960 1.335 22.111 17.826 1.00 25.79 C ATOM 2232 H LEU A 960 0.506 25.794 18.266 1.00 0.00 H ATOM 2233 N VAL A 961 -0.085 25.818 21.387 1.00 15.81 N ATOM 2234 CA VAL A 961 -0.457 26.173 22.763 1.00 15.87 C ATOM 2235 C VAL A 961 -1.895 25.676 23.027 1.00 19.85 C ATOM 2236 O VAL A 961 -2.163 25.134 24.091 1.00 20.55 O ATOM 2237 CB VAL A 961 -0.359 27.708 23.019 1.00 19.52 C ATOM 2238 CG1 VAL A 961 -0.958 28.087 24.387 1.00 20.80 C ATOM 2239 CG2 VAL A 961 1.097 28.185 22.918 1.00 19.60 C ATOM 2240 H VAL A 961 0.165 26.549 20.691 1.00 0.00 H ATOM 2241 N GLU A 962 -2.795 25.866 22.062 1.00 17.45 N ATOM 2242 CA GLU A 962 -4.186 25.490 22.220 1.00 17.11 C ATOM 2243 C GLU A 962 -4.304 23.982 22.297 1.00 20.97 C ATOM 2244 O GLU A 962 -4.985 23.492 23.210 1.00 21.36 O ATOM 2245 CB GLU A 962 -4.989 26.013 21.048 1.00 18.79 C ATOM 2246 CG GLU A 962 -6.446 25.644 21.157 1.00 30.15 C ATOM 2247 CD GLU A 962 -7.189 26.232 19.993 1.00 49.56 C ATOM 2248 OE1 GLU A 962 -7.306 27.479 19.952 1.00 35.75 O ATOM 2249 OE2 GLU A 962 -7.600 25.456 19.098 1.00 36.07 O ATOM 2250 H GLU A 962 -2.489 26.298 21.167 1.00 0.00 H ATOM 2251 N ILE A 963 -3.641 23.250 21.364 1.00 17.40 N ATOM 2252 CA ILE A 963 -3.767 21.778 21.388 1.00 16.74 C ATOM 2253 C ILE A 963 -3.192 21.204 22.672 1.00 19.44 C ATOM 2254 O ILE A 963 -3.855 20.392 23.318 1.00 19.74 O ATOM 2255 CB ILE A 963 -3.091 21.151 20.150 1.00 18.24 C ATOM 2256 CG1 ILE A 963 -3.894 21.436 18.850 1.00 20.08 C ATOM 2257 CG2 ILE A 963 -2.871 19.619 20.351 1.00 19.82 C ATOM 2258 CD1 ILE A 963 -3.113 21.106 17.539 1.00 24.56 C ATOM 2259 H ILE A 963 -3.054 23.718 20.644 1.00 0.00 H ATOM 2260 N ILE A 964 -1.960 21.597 23.036 1.00 16.33 N ATOM 2261 CA ILE A 964 -1.292 21.062 24.218 1.00 16.62 C ATOM 2262 C ILE A 964 -2.016 21.426 25.497 1.00 19.93 C ATOM 2263 O ILE A 964 -2.105 20.585 26.401 1.00 20.06 O ATOM 2264 CB ILE A 964 0.212 21.425 24.287 1.00 19.09 C ATOM 2265 CG1 ILE A 964 0.956 20.958 23.019 1.00 20.24 C ATOM 2266 CG2 ILE A 964 0.867 20.873 25.585 1.00 19.59 C ATOM 2267 CD1 ILE A 964 2.328 21.591 22.818 1.00 21.06 C ATOM 2268 H ILE A 964 -1.466 22.306 22.457 1.00 0.00 H ATOM 2269 N SER A 965 -2.502 22.675 25.622 1.00 19.04 N ATOM 2270 CA SER A 965 -3.190 23.059 26.849 1.00 19.11 C ATOM 2271 C SER A 965 -4.403 22.171 27.133 1.00 23.73 C ATOM 2272 O SER A 965 -4.718 21.948 28.299 1.00 23.61 O ATOM 2273 CB SER A 965 -3.654 24.507 26.762 1.00 21.50 C ATOM 2274 OG SER A 965 -2.508 25.339 26.743 1.00 23.60 O ATOM 2275 HG SER A 965 -2.790 26.286 26.687 1.00 0.00 H ATOM 2276 H SER A 965 -2.388 23.361 24.849 1.00 0.00 H ATOM 2277 N ASP A 966 -5.090 21.702 26.076 1.00 21.95 N ATOM 2278 CA ASP A 966 -6.271 20.832 26.216 1.00 21.89 C ATOM 2279 C ASP A 966 -5.857 19.367 26.411 1.00 26.25 C ATOM 2280 O ASP A 966 -6.382 18.669 27.286 1.00 26.43 O ATOM 2281 CB ASP A 966 -7.169 20.964 24.975 1.00 23.69 C ATOM 2282 CG ASP A 966 -8.089 22.175 24.917 1.00 39.34 C ATOM 2283 OD1 ASP A 966 -8.177 22.919 25.935 1.00 39.69 O ATOM 2284 OD2 ASP A 966 -8.722 22.387 23.854 1.00 42.22 O ATOM 2285 H ASP A 966 -4.775 21.964 25.120 1.00 0.00 H ATOM 2286 N GLN A 967 -4.868 18.925 25.634 1.00 20.92 N ATOM 2287 CA GLN A 967 -4.413 17.539 25.645 1.00 18.98 C ATOM 2288 C GLN A 967 -3.635 17.137 26.889 1.00 23.59 C ATOM 2289 O GLN A 967 -3.878 16.044 27.420 1.00 23.69 O ATOM 2290 CB GLN A 967 -3.598 17.290 24.372 1.00 18.88 C ATOM 2291 CG GLN A 967 -3.032 15.883 24.217 1.00 20.75 C ATOM 2292 CD GLN A 967 -1.817 15.879 23.334 1.00 22.69 C ATOM 2293 OE1 GLN A 967 -1.164 16.911 23.130 1.00 21.98 O ATOM 2294 NE2 GLN A 967 -1.473 14.713 22.814 1.00 18.51 N ATOM 2295 HE22 GLN A 967 -2.047 13.868 23.008 1.00 0.00 H ATOM 2296 HE21 GLN A 967 -0.629 14.641 22.211 1.00 0.00 H ATOM 2297 H GLN A 967 -4.401 19.597 24.992 1.00 0.00 H ATOM 2298 N LEU A 968 -2.693 17.989 27.353 1.00 20.24 N ATOM 2299 CA LEU A 968 -1.810 17.682 28.489 1.00 20.92 C ATOM 2300 C LEU A 968 -2.582 17.189 29.744 1.00 26.55 C ATOM 2301 O LEU A 968 -2.247 16.087 30.228 1.00 25.00 O ATOM 2302 CB LEU A 968 -0.879 18.872 28.791 1.00 21.73 C ATOM 2303 CG LEU A 968 0.289 18.653 29.749 1.00 26.06 C ATOM 2304 CD1 LEU A 968 1.358 19.696 29.503 1.00 26.71 C ATOM 2305 CD2 LEU A 968 -0.151 18.719 31.199 1.00 27.52 C ATOM 2306 H LEU A 968 -2.587 18.910 26.882 1.00 0.00 H ATOM 2307 N PRO A 969 -3.614 17.928 30.248 1.00 24.42 N ATOM 2308 CA PRO A 969 -4.349 17.449 31.441 1.00 25.72 C ATOM 2309 C PRO A 969 -5.069 16.125 31.190 1.00 28.97 C ATOM 2310 O PRO A 969 -5.162 15.312 32.106 1.00 29.09 O ATOM 2311 CB PRO A 969 -5.375 18.559 31.705 1.00 27.42 C ATOM 2312 CG PRO A 969 -4.867 19.757 30.997 1.00 31.32 C ATOM 2313 CD PRO A 969 -4.130 19.241 29.802 1.00 25.42 C ATOM 2314 N LYS A 970 -5.553 15.895 29.959 1.00 25.00 N ATOM 2315 CA LYS A 970 -6.257 14.651 29.607 1.00 23.98 C ATOM 2316 C LYS A 970 -5.311 13.466 29.583 1.00 28.39 C ATOM 2317 O LYS A 970 -5.641 12.418 30.146 1.00 30.01 O ATOM 2318 CB LYS A 970 -6.999 14.786 28.272 1.00 25.39 C ATOM 2319 CG LYS A 970 -8.112 15.819 28.365 1.00 25.99 C ATOM 2320 CD LYS A 970 -8.733 16.124 27.033 1.00 36.61 C ATOM 2321 CE LYS A 970 -9.815 17.163 27.209 1.00 54.66 C ATOM 2322 NZ LYS A 970 -10.325 17.660 25.904 1.00 68.43 N ATOM 2323 HZ1 LYS A 970 -9.544 18.090 25.369 1.00 0.00 H ATOM 2324 HZ2 LYS A 970 -10.721 16.865 25.363 1.00 0.00 H ATOM 2325 HZ3 LYS A 970 -11.066 18.371 26.071 1.00 0.00 H ATOM 2326 H LYS A 970 -5.426 16.623 29.227 1.00 0.00 H ATOM 2327 N VAL A 971 -4.128 13.620 28.946 1.00 23.21 N ATOM 2328 CA VAL A 971 -3.136 12.552 28.866 1.00 22.36 C ATOM 2329 C VAL A 971 -2.606 12.214 30.246 1.00 29.45 C ATOM 2330 O VAL A 971 -2.567 11.038 30.602 1.00 30.25 O ATOM 2331 CB VAL A 971 -1.998 12.840 27.845 1.00 24.82 C ATOM 2332 CG1 VAL A 971 -0.884 11.789 27.923 1.00 24.36 C ATOM 2333 CG2 VAL A 971 -2.558 12.918 26.423 1.00 23.86 C ATOM 2334 H VAL A 971 -3.917 14.534 28.496 1.00 0.00 H ATOM 2335 N GLU A 972 -2.210 13.226 31.021 1.00 26.59 N ATOM 2336 CA GLU A 972 -1.646 12.978 32.356 1.00 27.81 C ATOM 2337 C GLU A 972 -2.660 12.412 33.368 1.00 33.56 C ATOM 2338 O GLU A 972 -2.241 11.710 34.295 1.00 34.09 O ATOM 2339 CB GLU A 972 -0.950 14.229 32.908 1.00 29.15 C ATOM 2340 CG GLU A 972 0.293 14.593 32.125 1.00 31.29 C ATOM 2341 CD GLU A 972 1.204 15.622 32.765 1.00 49.05 C ATOM 2342 OE1 GLU A 972 2.306 15.839 32.216 1.00 40.60 O ATOM 2343 OE2 GLU A 972 0.831 16.206 33.809 1.00 41.88 O ATOM 2344 H GLU A 972 -2.302 14.203 30.676 1.00 0.00 H ATOM 2345 N SER A 973 -3.970 12.682 33.197 1.00 29.21 N ATOM 2346 CA SER A 973 -4.992 12.149 34.123 1.00 30.89 C ATOM 2347 C SER A 973 -5.499 10.751 33.696 1.00 35.93 C ATOM 2348 O SER A 973 -6.420 10.221 34.322 1.00 36.63 O ATOM 2349 CB SER A 973 -6.162 13.119 34.267 1.00 34.46 C ATOM 2350 OG SER A 973 -6.886 13.189 33.050 1.00 40.81 O ATOM 2351 HG SER A 973 -6.287 13.505 32.328 1.00 0.00 H ATOM 2352 H SER A 973 -4.267 13.277 32.398 1.00 0.00 H ATOM 2353 N GLY A 974 -4.874 10.175 32.671 1.00 32.17 N ATOM 2354 CA GLY A 974 -5.209 8.858 32.136 1.00 31.89 C ATOM 2355 C GLY A 974 -6.475 8.793 31.296 1.00 34.74 C ATOM 2356 O GLY A 974 -7.043 7.711 31.135 1.00 35.19 O ATOM 2357 H GLY A 974 -4.095 10.698 32.221 1.00 0.00 H ATOM 2358 N ASN A 975 -6.927 9.932 30.735 1.00 29.15 N ATOM 2359 CA ASN A 975 -8.139 9.952 29.908 1.00 29.25 C ATOM 2360 C ASN A 975 -7.891 9.535 28.432 1.00 34.50 C ATOM 2361 O ASN A 975 -8.847 9.172 27.745 1.00 36.59 O ATOM 2362 CB ASN A 975 -8.854 11.320 30.007 1.00 29.93 C ATOM 2363 CG ASN A 975 -10.138 11.409 29.205 1.00 58.16 C ATOM 2364 OD1 ASN A 975 -10.297 12.272 28.339 1.00 63.25 O ATOM 2365 ND2 ASN A 975 -11.069 10.496 29.443 1.00 43.77 N ATOM 2366 HD22 ASN A 975 -10.916 9.776 30.178 1.00 0.00 H ATOM 2367 HD21 ASN A 975 -11.953 10.499 28.895 1.00 0.00 H ATOM 2368 H ASN A 975 -6.405 10.817 30.892 1.00 0.00 H ATOM 2369 N ALA A 976 -6.642 9.547 27.954 1.00 31.87 N ATOM 2370 CA ALA A 976 -6.344 9.195 26.562 1.00 30.93 C ATOM 2371 C ALA A 976 -6.087 7.708 26.388 1.00 35.64 C ATOM 2372 O ALA A 976 -5.020 7.220 26.772 1.00 37.95 O ATOM 2373 CB ALA A 976 -5.170 10.011 26.038 1.00 32.11 C ATOM 2374 H ALA A 976 -5.861 9.813 28.587 1.00 0.00 H ATOM 2375 N LYS A 977 -7.054 7.002 25.769 1.00 26.27 N ATOM 2376 CA LYS A 977 -7.042 5.556 25.536 1.00 24.60 C ATOM 2377 C LYS A 977 -6.456 5.179 24.167 1.00 25.77 C ATOM 2378 O LYS A 977 -7.116 5.344 23.137 1.00 24.81 O ATOM 2379 CB LYS A 977 -8.455 4.965 25.724 1.00 25.84 C ATOM 2380 CG LYS A 977 -8.550 3.447 25.574 1.00 29.85 C ATOM 2381 CD LYS A 977 -9.995 2.992 25.562 1.00 38.83 C ATOM 2382 CE LYS A 977 -10.113 1.494 25.690 1.00 56.68 C ATOM 2383 NZ LYS A 977 -11.530 1.068 25.841 1.00 71.58 N ATOM 2384 HZ1 LYS A 977 -11.933 1.504 26.695 1.00 0.00 H ATOM 2385 HZ2 LYS A 977 -12.073 1.371 25.007 1.00 0.00 H ATOM 2386 HZ3 LYS A 977 -11.572 0.032 25.926 1.00 0.00 H ATOM 2387 H LYS A 977 -7.882 7.531 25.427 1.00 0.00 H ATOM 2388 N PRO A 978 -5.227 4.646 24.144 1.00 23.06 N ATOM 2389 CA PRO A 978 -4.659 4.192 22.872 1.00 20.86 C ATOM 2390 C PRO A 978 -5.355 2.911 22.422 1.00 23.36 C ATOM 2391 O PRO A 978 -5.598 1.994 23.228 1.00 23.73 O ATOM 2392 CB PRO A 978 -3.179 3.935 23.213 1.00 23.52 C ATOM 2393 CG PRO A 978 -3.181 3.550 24.658 1.00 29.79 C ATOM 2394 CD PRO A 978 -4.315 4.361 25.285 1.00 26.13 C ATOM 2395 N LEU A 979 -5.706 2.856 21.153 1.00 18.99 N ATOM 2396 CA LEU A 979 -6.335 1.682 20.560 1.00 18.90 C ATOM 2397 C LEU A 979 -5.243 0.889 19.888 1.00 22.23 C ATOM 2398 O LEU A 979 -4.475 1.418 19.075 1.00 22.07 O ATOM 2399 CB LEU A 979 -7.389 2.073 19.516 1.00 18.74 C ATOM 2400 CG LEU A 979 -8.577 2.897 20.025 1.00 21.76 C ATOM 2401 CD1 LEU A 979 -9.523 3.209 18.883 1.00 21.93 C ATOM 2402 CD2 LEU A 979 -9.309 2.197 21.190 1.00 23.69 C ATOM 2403 H LEU A 979 -5.527 3.684 20.550 1.00 0.00 H ATOM 2404 N TYR A 980 -5.129 -0.357 20.286 1.00 18.96 N ATOM 2405 CA TYR A 980 -4.146 -1.269 19.737 1.00 18.90 C ATOM 2406 C TYR A 980 -4.825 -2.303 18.898 1.00 19.94 C ATOM 2407 O TYR A 980 -5.874 -2.832 19.276 1.00 22.29 O ATOM 2408 CB TYR A 980 -3.447 -2.009 20.896 1.00 19.82 C ATOM 2409 CG TYR A 980 -2.270 -1.257 21.467 1.00 22.37 C ATOM 2410 CD1 TYR A 980 -2.453 -0.263 22.424 1.00 23.84 C ATOM 2411 CD2 TYR A 980 -0.968 -1.556 21.071 1.00 24.14 C ATOM 2412 CE1 TYR A 980 -1.360 0.441 22.951 1.00 24.32 C ATOM 2413 CE2 TYR A 980 0.131 -0.884 21.615 1.00 24.82 C ATOM 2414 CZ TYR A 980 -0.075 0.129 22.537 1.00 28.46 C ATOM 2415 OH TYR A 980 0.997 0.803 23.075 1.00 29.17 O ATOM 2416 HH TYR A 980 1.508 1.242 22.349 1.00 0.00 H ATOM 2417 H TYR A 980 -5.771 -0.704 21.027 1.00 0.00 H ATOM 2418 N PHE A 981 -4.183 -2.692 17.813 1.00 17.83 N ATOM 2419 CA PHE A 981 -4.667 -3.838 17.053 1.00 17.88 C ATOM 2420 C PHE A 981 -4.397 -5.103 17.844 1.00 19.60 C ATOM 2421 O PHE A 981 -5.227 -6.018 17.850 1.00 20.17 O ATOM 2422 CB PHE A 981 -3.935 -3.940 15.706 1.00 19.26 C ATOM 2423 CG PHE A 981 -4.401 -2.892 14.738 1.00 21.17 C ATOM 2424 CD1 PHE A 981 -5.527 -3.104 13.952 1.00 26.80 C ATOM 2425 CD2 PHE A 981 -3.706 -1.705 14.594 1.00 21.61 C ATOM 2426 CE1 PHE A 981 -5.968 -2.118 13.057 1.00 27.83 C ATOM 2427 CE2 PHE A 981 -4.182 -0.692 13.741 1.00 25.93 C ATOM 2428 CZ PHE A 981 -5.314 -0.913 12.985 1.00 25.23 C ATOM 2429 H PHE A 981 -3.333 -2.182 17.500 1.00 0.00 H ATOM 2430 N HIS A 982 -3.225 -5.162 18.499 1.00 17.24 N ATOM 2431 CA HIS A 982 -2.774 -6.369 19.204 1.00 16.95 C ATOM 2432 C HIS A 982 -2.317 -5.972 20.557 1.00 24.58 C ATOM 2433 O HIS A 982 -1.215 -5.427 20.700 1.00 25.18 O ATOM 2434 CB HIS A 982 -1.621 -7.002 18.422 1.00 17.70 C ATOM 2435 CG HIS A 982 -1.885 -7.094 16.946 1.00 19.16 C ATOM 2436 ND1 HIS A 982 -2.919 -7.857 16.444 1.00 20.77 N ATOM 2437 CD2 HIS A 982 -1.287 -6.436 15.924 1.00 20.50 C ATOM 2438 CE1 HIS A 982 -2.897 -7.677 15.130 1.00 20.44 C ATOM 2439 NE2 HIS A 982 -1.931 -6.830 14.771 1.00 20.81 N ATOM 2440 H HIS A 982 -2.614 -4.321 18.507 1.00 0.00 H ATOM 2441 N ARG A 983 -3.138 -6.243 21.557 1.00 25.70 N ATOM 2442 CA ARG A 983 -2.823 -5.823 22.929 1.00 27.84 C ATOM 2443 C ARG A 983 -1.500 -6.384 23.455 1.00 30.25 C ATOM 2444 O ARG A 983 -1.151 -7.544 23.198 1.00 27.58 O ATOM 2445 CB ARG A 983 -3.977 -6.117 23.893 1.00 34.14 C ATOM 2446 CG ARG A 983 -4.272 -7.570 24.181 1.00 46.76 C ATOM 2447 CD ARG A 983 -5.401 -7.693 25.190 1.00 59.15 C ATOM 2448 NE ARG A 983 -6.695 -7.306 24.620 1.00 68.38 N ATOM 2449 CZ ARG A 983 -7.437 -6.285 25.045 1.00 81.68 C ATOM 2450 NH1 ARG A 983 -8.602 -6.021 24.470 1.00 69.57 N ATOM 2451 NH2 ARG A 983 -7.030 -5.537 26.064 1.00 65.07 N ATOM 2452 HE ARG A 983 -7.060 -7.870 23.826 1.00 0.00 H ATOM 2453 HH12 ARG A 983 -9.178 -5.223 24.805 1.00 0.00 H ATOM 2454 HH11 ARG A 983 -8.940 -6.612 23.684 1.00 0.00 H ATOM 2455 HH22 ARG A 983 -7.614 -4.741 26.391 1.00 0.00 H ATOM 2456 HH21 ARG A 983 -6.127 -5.747 26.535 1.00 0.00 H ATOM 2457 H ARG A 983 -4.020 -6.761 21.370 1.00 0.00 H ATOM 2458 N LYS A 984 -0.758 -5.519 24.174 1.00 28.09 N ATOM 2459 CA LYS A 984 0.547 -5.844 24.776 1.00 37.71 C ATOM 2460 C LYS A 984 0.401 -6.926 25.839 1.00 71.11 C ATOM 2461 O LYS A 984 -0.622 -6.975 26.518 1.00 49.73 O ATOM 2462 CB LYS A 984 1.183 -4.594 25.407 1.00 38.95 C ATOM 2463 CG LYS A 984 1.804 -3.631 24.403 1.00 52.37 C ATOM 2464 CD LYS A 984 1.854 -2.211 24.957 1.00 60.08 C ATOM 2465 CE LYS A 984 3.264 -1.734 25.180 1.00 66.60 C ATOM 2466 NZ LYS A 984 3.287 -0.365 25.755 1.00 70.57 N ATOM 2467 HZ1 LYS A 984 2.815 0.292 25.102 1.00 0.00 H ATOM 2468 HZ2 LYS A 984 2.789 -0.365 26.668 1.00 0.00 H ATOM 2469 HZ3 LYS A 984 4.273 -0.066 25.896 1.00 0.00 H ATOM 2470 H LYS A 984 -1.131 -4.558 24.313 1.00 0.00 H TER 2471 LYS A 984 HETATM 2472 O HOH 1 -17.910 8.414 8.652 1.00 31.19 O HETATM 2473 O HOH 2 28.709 18.479 18.670 1.00 28.50 O HETATM 2474 O HOH 3 -3.271 8.801 17.904 1.00 48.05 O HETATM 2475 O HOH 4 15.526 8.598 9.583 1.00 40.42 O HETATM 2476 O HOH 5 6.671 28.590 25.969 1.00 30.85 O HETATM 2477 O HOH 6 3.607 19.061 5.348 1.00 40.54 O HETATM 2478 O HOH 7 3.078 13.078 3.989 1.00 31.79 O HETATM 2479 O HOH 8 -5.050 1.735 16.485 1.00 42.66 O HETATM 2480 O HOH 9 -19.154 7.246 10.557 1.00 29.24 O HETATM 2481 O HOH 10 -14.757 14.669 5.515 1.00 22.84 O HETATM 2482 O HOH 11 -3.378 27.797 27.320 1.00 38.35 O HETATM 2483 O HOH 12 1.317 -4.626 20.413 1.00 33.67 O HETATM 2484 O HOH 13 -6.106 29.685 20.876 1.00 43.19 O HETATM 2485 O HOH 14 -15.568 20.022 10.279 1.00 39.50 O HETATM 2486 O HOH 15 -2.195 14.054 7.888 1.00 30.42 O HETATM 2487 O HOH 16 9.632 30.580 17.203 1.00 36.97 O HETATM 2488 O HOH 17 14.582 1.709 0.028 1.00 45.26 O HETATM 2489 O HOH 18 -5.901 17.686 -4.359 1.00 28.67 O HETATM 2490 O HOH 19 7.739 1.742 19.766 1.00 33.53 O HETATM 2491 O HOH 20 10.282 5.409 22.283 1.00 49.83 O HETATM 2492 O HOH 21 17.213 16.691 27.083 1.00 44.39 O HETATM 2493 O HOH 22 -6.862 -6.485 15.757 1.00 35.23 O HETATM 2494 O HOH 23 5.682 15.785 10.036 1.00 17.13 O HETATM 2495 O HOH 24 15.067 28.172 6.166 1.00 22.09 O HETATM 2496 O HOH 25 -7.792 -0.435 -0.280 1.00 30.65 O HETATM 2497 O HOH 26 1.585 3.362 -3.485 1.00 31.02 O HETATM 2498 O HOH 27 3.395 0.955 21.353 1.00 24.44 O HETATM 2499 O HOH 28 15.254 17.791 -0.622 1.00 29.88 O HETATM 2500 O HOH 29 -8.195 19.484 29.122 1.00 35.43 O HETATM 2501 O HOH 30 -0.082 -3.070 -0.241 1.00 40.68 O HETATM 2502 O HOH 31 3.981 13.978 31.183 1.00 34.05 O HETATM 2503 O HOH 32 6.139 7.896 27.977 1.00 46.57 O HETATM 2504 O HOH 33 -15.844 10.366 27.223 1.00 43.28 O HETATM 2505 O HOH 34 -3.719 11.567 2.617 1.00 18.97 O HETATM 2506 O HOH 35 22.878 24.558 10.327 1.00 52.12 O HETATM 2507 O HOH 36 3.484 15.827 0.348 1.00 42.44 O HETATM 2508 O HOH 37 -5.256 23.620 30.374 1.00 44.51 O HETATM 2509 O HOH 38 0.681 -0.960 -1.810 1.00 35.39 O HETATM 2510 O HOH 39 -14.600 17.176 24.554 1.00 45.47 O HETATM 2511 O HOH 40 7.993 19.767 6.473 1.00 19.28 O HETATM 2512 O HOH 41 0.825 5.351 -5.163 1.00 45.66 O HETATM 2513 O HOH 42 10.756 18.095 -0.070 1.00 35.65 O HETATM 2514 O HOH 43 6.255 -4.451 11.569 1.00 28.98 O HETATM 2515 O HOH 44 -10.018 21.466 3.575 1.00 27.81 O HETATM 2516 O HOH 45 -3.095 15.062 -6.946 1.00 40.89 O HETATM 2517 O HOH 46 14.321 -0.251 13.104 1.00 46.68 O HETATM 2518 O HOH 47 -8.270 23.222 20.512 1.00 43.45 O HETATM 2519 O HOH 48 -6.789 9.598 17.742 1.00 17.23 O HETATM 2520 O HOH 49 6.516 -2.793 -1.232 1.00 40.87 O HETATM 2521 O HOH 50 8.128 -0.468 14.831 1.00 44.83 O HETATM 2522 O HOH 51 0.920 -7.576 14.191 1.00 31.34 O HETATM 2523 O HOH 52 22.671 22.927 21.226 1.00 39.06 O HETATM 2524 O HOH 53 -1.615 17.154 34.574 1.00 41.30 O HETATM 2525 O HOH 54 0.086 25.511 7.181 1.00 34.57 O HETATM 2526 O HOH 55 -20.377 1.297 14.400 1.00 32.89 O HETATM 2527 O HOH 56 -0.475 9.448 -6.108 1.00 50.10 O HETATM 2528 O HOH 57 -22.887 10.459 23.581 1.00 40.65 O HETATM 2529 O HOH 58 -13.667 9.916 28.807 1.00 42.36 O HETATM 2530 O HOH 59 15.273 29.035 13.297 1.00 30.31 O HETATM 2531 O HOH 60 -1.283 14.832 -2.664 1.00 44.59 O HETATM 2532 O HOH 61 -9.525 2.753 -2.769 1.00 50.86 O HETATM 2533 O HOH 62 3.884 -3.411 17.817 1.00 28.37 O HETATM 2534 O HOH 63 -2.481 1.082 16.754 1.00 25.45 O HETATM 2535 O HOH 64 -17.355 10.207 16.380 1.00 22.01 O HETATM 2536 O HOH 65 8.031 28.128 18.085 1.00 29.75 O HETATM 2537 O HOH 66 3.885 28.007 13.385 1.00 22.90 O HETATM 2538 O HOH 67 -6.655 -4.586 21.233 1.00 39.12 O HETATM 2539 O HOH 68 -17.197 -1.795 13.759 1.00 50.95 O HETATM 2540 O HOH 69 -2.801 12.007 22.965 1.00 21.46 O HETATM 2541 O HOH 70 -3.438 9.933 4.803 1.00 20.21 O HETATM 2542 O HOH 71 11.236 3.579 17.959 1.00 36.39 O HETATM 2543 O HOH 72 10.473 11.308 26.897 1.00 27.98 O HETATM 2544 O HOH 73 -23.275 12.515 10.788 1.00 34.35 O HETATM 2545 O HOH 74 -8.330 -2.423 17.223 1.00 43.81 O HETATM 2546 O HOH 75 0.535 5.141 24.922 1.00 44.40 O HETATM 2547 O HOH 76 -11.268 13.615 26.126 1.00 49.88 O HETATM 2548 O HOH 77 20.952 20.493 8.949 1.00 46.14 O HETATM 2549 O HOH 78 6.205 15.523 30.981 1.00 26.34 O HETATM 2550 O HOH 79 -6.751 25.006 24.699 1.00 35.26 O HETATM 2551 O HOH 80 23.062 14.316 23.459 1.00 39.30 O HETATM 2552 O HOH 81 -20.158 17.042 11.965 1.00 30.68 O HETATM 2553 O HOH 82 -10.993 20.800 23.931 1.00 55.68 O HETATM 2554 O HOH 83 -19.127 7.270 24.584 1.00 41.86 O HETATM 2555 O HOH 84 7.544 15.083 0.708 1.00 44.12 O HETATM 2556 O HOH 85 -3.858 9.088 29.104 1.00 36.53 O HETATM 2557 O HOH 86 20.611 4.852 0.589 1.00 53.10 O HETATM 2558 O HOH 87 1.371 -5.031 17.792 1.00 30.26 O HETATM 2559 O HOH 88 -0.964 3.742 16.939 1.00 27.71 O HETATM 2560 O HOH 89 -3.876 20.219 3.931 1.00 28.44 O HETATM 2561 O HOH 90 -11.215 15.579 24.268 1.00 41.95 O HETATM 2562 O HOH 91 -15.146 13.897 22.125 1.00 25.36 O HETATM 2563 O HOH 92 -1.123 21.118 0.520 1.00 35.73 O HETATM 2564 O HOH 93 3.837 -10.859 9.436 1.00 32.41 O HETATM 2565 O HOH 94 -4.110 16.042 34.603 1.00 40.46 O HETATM 2566 O HOH 95 -5.658 18.591 1.795 1.00 40.43 O HETATM 2567 O HOH 96 5.687 30.060 23.606 1.00 26.58 O HETATM 2568 O HOH 97 25.439 26.569 16.523 1.00 54.01 O HETATM 2569 O HOH 98 -0.943 6.509 17.615 1.00 28.22 O HETATM 2570 O HOH 99 23.926 21.870 13.118 1.00 40.49 O HETATM 2571 O HOH 100 -0.483 11.853 19.351 1.00 32.90 O HETATM 2572 O HOH 101 7.550 26.476 9.711 1.00 39.27 O HETATM 2573 O HOH 102 22.194 7.085 8.751 1.00 50.53 O HETATM 2574 O HOH 103 16.098 -0.913 7.523 1.00 44.17 O HETATM 2575 O HOH 104 -4.056 15.366 14.602 1.00 23.73 O HETATM 2576 O HOH 105 5.618 8.705 -3.219 1.00 52.24 O HETATM 2577 O HOH 106 21.555 24.435 23.861 1.00 35.56 O HETATM 2578 O HOH 107 -0.701 -18.647 4.141 1.00 46.52 O HETATM 2579 O HOH 108 -21.905 16.038 8.527 1.00 37.02 O HETATM 2580 O HOH 109 19.162 21.030 6.973 1.00 27.58 O HETATM 2581 O HOH 110 4.935 14.911 4.837 1.00 23.66 O HETATM 2582 O HOH 111 -22.861 13.535 8.005 1.00 49.84 O HETATM 2583 O HOH 112 -3.484 29.391 21.581 1.00 37.50 O HETATM 2584 O HOH 113 16.862 19.645 0.924 1.00 37.35 O HETATM 2585 O HOH 114 16.078 5.627 21.495 1.00 45.57 O HETATM 2586 O HOH 115 19.153 30.311 22.479 1.00 48.49 O HETATM 2587 O HOH 116 4.970 18.244 -1.540 1.00 40.98 O HETATM 2588 O HOH 117 0.195 -9.953 23.988 1.00 20.68 O HETATM 2589 O HOH 118 -21.502 7.347 21.614 1.00 35.23 O HETATM 2590 O HOH 119 26.556 15.174 12.324 1.00 24.48 O HETATM 2591 O HOH 120 8.325 24.729 -2.850 1.00 38.68 O HETATM 2592 O HOH 121 -10.717 10.130 32.295 1.00 57.62 O HETATM 2593 O HOH 122 5.785 24.196 -0.414 1.00 49.64 O HETATM 2594 O HOH 123 14.808 14.558 25.171 1.00 39.70 O HETATM 2595 O HOH 124 -10.744 8.385 -6.154 1.00 32.86 O HETATM 2596 O HOH 125 4.931 4.076 -3.227 1.00 27.56 O HETATM 2597 O HOH 126 5.061 -1.237 21.630 1.00 40.29 O HETATM 2598 O HOH 127 -5.656 -7.379 20.580 1.00 30.42 O HETATM 2599 O HOH 128 -22.737 5.799 19.378 1.00 33.21 O HETATM 2600 O HOH 129 -22.514 7.263 16.777 1.00 26.14 O HETATM 2601 O HOH 130 5.318 11.852 -0.504 1.00 38.14 O HETATM 2602 O HOH 131 2.890 10.971 27.210 1.00 31.39 O HETATM 2603 O HOH 132 18.694 12.205 24.625 1.00 32.56 O HETATM 2604 O HOH 133 14.052 29.533 16.731 1.00 36.49 O HETATM 2605 O HOH 134 14.897 -2.187 10.864 1.00 53.43 O HETATM 2606 O HOH 135 15.899 14.247 -1.614 1.00 53.86 O HETATM 2607 O HOH 136 -2.033 -2.872 24.735 1.00 37.83 O HETATM 2608 O HOH 137 14.210 31.890 8.581 1.00 49.64 O HETATM 2609 O HOH 138 -6.809 -1.330 22.576 1.00 35.48 O HETATM 2610 O HOH 139 3.356 16.872 3.793 1.00 55.64 O HETATM 2611 O HOH 140 13.683 5.416 -0.455 1.00 47.35 O HETATM 2612 O HOH 141 -17.252 11.793 3.220 1.00 36.17 O HETATM 2613 O HOH 142 19.042 27.728 15.438 1.00 38.11 O HETATM 2614 O HOH 143 -21.033 17.295 20.882 1.00 65.23 O HETATM 2615 O HOH 144 -13.454 18.188 22.113 1.00 31.42 O HETATM 2616 O HOH 145 6.507 4.700 26.069 1.00 43.60 O HETATM 2617 O HOH 146 -13.013 13.691 28.158 1.00 50.99 O HETATM 2618 O HOH 147 6.176 18.699 4.941 1.00 40.91 O HETATM 2619 O HOH 148 15.909 12.333 24.025 1.00 28.26 O HETATM 2620 O HOH 149 -20.296 1.415 19.254 1.00 57.85 O HETATM 2621 O HOH 150 -6.185 -9.315 22.334 1.00 40.69 O HETATM 2622 O HOH 151 20.146 14.956 23.710 1.00 36.58 O HETATM 2623 O HOH 152 -13.525 0.188 14.963 1.00 53.35 O HETATM 2624 O HOH 153 1.158 16.258 -2.108 1.00 56.92 O HETATM 2625 O HOH 154 2.952 -7.474 -4.401 1.00 57.22 O HETATM 2626 O HOH 155 -15.248 3.549 -3.985 1.00 67.18 O HETATM 2627 O HOH 156 17.731 0.266 1.089 1.00 47.44 O HETATM 2628 O HOH 157 -1.782 22.215 2.925 1.00 48.79 O HETATM 2629 O HOH 158 25.519 20.307 11.299 1.00 45.12 O HETATM 2630 O HOH 159 -13.086 1.525 19.674 1.00 48.05 O HETATM 2631 O HOH 160 -1.940 16.393 -4.780 1.00 41.96 O HETATM 2632 O HOH 161 -8.514 15.518 23.153 1.00 41.42 O HETATM 2633 O HOH 162 0.850 9.381 26.172 1.00 49.17 O HETATM 2634 O HOH 163 -15.838 12.659 24.446 1.00 50.75 O HETATM 2635 O HOH 164 20.282 4.620 7.999 1.00 53.53 O HETATM 2636 O HOH 165 8.992 34.543 23.844 1.00 57.71 O HETATM 2637 O HOH 166 4.012 -8.829 13.087 1.00 59.15 O HETATM 2638 O HOH 167 -10.305 23.989 4.575 1.00 49.69 O HETATM 2639 O HOH 168 13.070 6.612 21.970 1.00 54.32 O HETATM 2640 O HOH 169 1.108 27.682 13.332 1.00 28.20 O HETATM 2641 O HOH 170 7.463 3.709 -2.256 1.00 64.54 O HETATM 2642 O HOH 171 4.553 11.170 -2.986 1.00 63.19 O HETATM 2643 O HOH 172 19.720 15.621 26.321 1.00 57.93 O HETATM 2644 O HOH 173 3.101 -2.398 20.194 1.00 37.84 O HETATM 2645 O HOH 174 -6.962 -1.494 -2.613 1.00 45.46 O HETATM 2646 O HOH 175 -17.879 13.438 26.016 1.00 65.13 O HETATM 2647 O HOH 176 -12.905 0.823 22.286 1.00 62.61 O HETATM 2648 O HOH 177 7.199 -2.858 13.623 1.00 39.92 O HETATM 2649 O HOH 178 9.765 3.554 20.226 1.00 54.53 O HETATM 2650 O HOH 179 7.358 16.099 -1.808 1.00 63.30 O HETATM 2651 O HOH 180 11.682 16.968 -3.291 1.00 41.43 O HETATM 2652 O HOH 181 3.480 13.043 1.301 1.00 35.22 O HETATM 2653 O HOH 182 -2.067 25.237 5.412 1.00 54.31 O HETATM 2654 O HOH 183 -5.424 27.800 25.366 1.00 58.97 O HETATM 2655 O HOH 184 2.171 -19.181 4.971 1.00 40.32 O HETATM 2656 O HOH 185 0.075 8.244 29.085 1.00 56.10 O HETATM 2657 O HOH 186 -2.668 29.585 14.156 1.00 46.86 O HETATM 2658 O HOH 187 -17.156 9.836 1.321 1.00 57.49 O HETATM 2659 O HOH 188 7.325 -0.926 20.200 1.00 49.77 O HETATM 2660 O HOH 189 6.582 6.201 -2.859 1.00 48.23 O HETATM 2661 O HOH 190 5.700 14.041 2.382 1.00 57.16 O HETATM 2662 O HOH 191 1.773 -7.626 16.900 1.00 31.13 O HETATM 2663 O HOH 192 3.357 11.872 29.688 1.00 48.46 O HETATM 2664 O HOH 193 9.869 1.248 17.670 1.00 45.75 O HETATM 2665 O HOH 194 8.188 -3.048 16.356 1.00 47.57 O HETATM 2666 O HOH 195 22.814 12.004 24.899 1.00 66.25 O HETATM 2667 O HOH 196 9.347 17.891 -2.383 1.00 58.07 O HETATM 2668 O HOH 197 4.798 -7.124 19.466 1.00 40.26 O HETATM 2669 O HOH 198 3.384 7.682 -5.220 1.00 60.91 O HETATM 2670 O HOH 199 3.636 -7.052 24.147 1.00 46.58 O HETATM 2671 O HOH 200 2.666 13.562 -1.234 1.00 60.68 O HETATM 2672 O HOH 201 -15.623 12.987 27.899 1.00 77.42 O HETATM 2673 O HOH 202 -9.486 -1.596 22.221 1.00 61.21 O HETATM 2674 O HOH 203 2.367 12.444 -3.993 1.00 60.25 O HETATM 2675 O HOH 204 3.848 -5.930 21.728 1.00 36.87 O HETATM 2676 O HOH 205 -10.960 23.240 20.412 1.00 39.34 O HETATM 2677 O HOH 206 -10.012 25.324 6.956 1.00 52.87 O HETATM 2678 O HOH 207 -16.294 21.809 20.069 1.00 41.56 O HETATM 2679 O HOH 208 -13.791 24.649 4.272 1.00 64.82 O HETATM 2680 O HOH 209 -12.714 22.342 22.237 1.00 43.01 O HETATM 2681 O HOH 210 -14.701 20.566 21.839 1.00 42.28 O HETATM 2682 C1 EWN A 211 8.437 18.841 14.195 1.00 -0.06 C HETATM 2683 C2 EWN A 211 7.432 17.927 13.501 1.00 -0.04 C HETATM 2684 C3 EWN A 211 7.680 17.945 12.009 1.00 -0.06 C HETATM 2685 H5 EWN A 211 6.955 17.286 11.509 1.00 0.02 H HETATM 2686 H6 EWN A 211 8.701 17.591 11.803 1.00 0.02 H HETATM 2687 H7 EWN A 211 7.564 18.971 11.630 1.00 0.02 H HETATM 2688 C4 EWN A 211 7.565 16.468 13.932 1.00 -0.02 C HETATM 2689 C5 EWN A 211 6.978 16.182 15.304 1.00 0.09 C HETATM 2690 C6 EWN A 211 6.708 14.708 15.491 1.00 0.09 C HETATM 2691 O7 EWN A 211 7.916 13.923 15.465 1.00 -0.32 O HETATM 2692 C8 EWN A 211 9.028 14.467 16.077 1.00 0.11 C HETATM 2693 C9 EWN A 211 10.139 13.646 16.170 1.00 -0.01 C HETATM 2694 C10 EWN A 211 11.270 14.211 16.731 1.00 0.11 C HETATM 2695 C11 EWN A 211 11.325 15.512 17.182 1.00 -0.05 C HETATM 2696 C12 EWN A 211 10.201 16.310 17.083 1.00 -0.05 C HETATM 2697 C13 EWN A 211 9.052 15.770 16.533 1.00 0.10 C HETATM 2698 N14 EWN A 211 7.864 16.548 16.406 1.00 -0.22 N HETATM 2699 C15 EWN A 211 7.399 17.513 17.295 1.00 0.22 C HETATM 2700 O16 EWN A 211 6.449 18.246 17.000 1.00 -0.38 O HETATM 2701 C17 EWN A 211 7.960 17.634 18.669 1.00 0.03 C HETATM 2702 C22 EWN A 211 8.206 18.912 19.156 1.00 -0.03 C HETATM 2703 C21 EWN A 211 8.677 19.040 20.449 1.00 0.10 C HETATM 2704 C20 EWN A 211 8.913 17.937 21.238 1.00 0.12 C HETATM 2705 C19 EWN A 211 8.649 16.659 20.764 1.00 -0.04 C HETATM 2706 C18 EWN A 211 8.178 16.515 19.460 1.00 -0.07 C HETATM 2707 H19 EWN A 211 7.981 15.526 19.063 1.00 0.05 H HETATM 2708 H11 EWN A 211 8.806 15.791 21.395 1.00 0.05 H HETATM 2709 O27 EWN A 211 9.302 18.114 22.559 1.00 -0.30 O HETATM 2710 C26 EWN A 211 10.072 19.308 22.807 1.00 0.16 C HETATM 2711 C24 EWN A 211 9.527 20.545 22.162 1.00 0.23 C HETATM 2712 N23 EWN A 211 8.899 20.343 20.967 1.00 -0.23 N HETATM 2713 H13 EWN A 211 8.587 21.135 20.442 1.00 0.22 H HETATM 2714 O25 EWN A 211 9.661 21.649 22.651 1.00 -0.38 O HETATM 2715 H20 EWN A 211 10.107 19.474 23.894 1.00 0.09 H HETATM 2716 H21 EWN A 211 11.091 19.144 22.428 1.00 0.09 H HETATM 2717 H12 EWN A 211 8.033 19.786 18.538 1.00 0.05 H HETATM 2718 H10 EWN A 211 10.219 17.337 17.429 1.00 0.05 H HETATM 2719 H9 EWN A 211 12.240 15.905 17.610 1.00 0.05 H HETATM 2720 F28 EWN A 211 12.375 13.447 16.852 1.00 -0.20 F HETATM 2721 H8 EWN A 211 10.123 12.619 15.823 1.00 0.05 H HETATM 2722 H17 EWN A 211 6.045 14.364 14.683 1.00 0.06 H HETATM 2723 H18 EWN A 211 6.211 14.560 16.461 1.00 0.06 H HETATM 2724 H16 EWN A 211 6.037 16.745 15.394 1.00 0.06 H HETATM 2725 H14 EWN A 211 8.633 16.207 13.950 1.00 0.03 H HETATM 2726 H15 EWN A 211 7.046 15.839 13.194 1.00 0.03 H HETATM 2727 H4 EWN A 211 6.415 18.284 13.721 1.00 0.03 H HETATM 2728 H1 EWN A 211 8.294 19.875 13.847 1.00 0.02 H HETATM 2729 H2 EWN A 211 9.459 18.511 13.956 1.00 0.02 H HETATM 2730 H3 EWN A 211 8.283 18.796 15.283 1.00 0.02 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 2157 2158 2169 2170 2171 CONECT 2169 2157 CONECT 2170 2157 CONECT 2171 2157 CONECT 2682 2683 2728 2729 2730 CONECT 2683 2682 2684 2688 2727 CONECT 2684 2683 2685 2686 2687 CONECT 2685 2684 CONECT 2686 2684 CONECT 2687 2684 CONECT 2688 2683 2689 2725 2726 CONECT 2689 2688 2690 2698 2724 CONECT 2690 2689 2691 2722 2723 CONECT 2691 2690 2692 CONECT 2692 2691 2693 2697 CONECT 2693 2692 2694 2721 CONECT 2694 2693 2695 2720 CONECT 2695 2694 2696 2719 CONECT 2696 2695 2697 2718 CONECT 2697 2692 2696 2698 CONECT 2698 2689 2697 2699 CONECT 2699 2698 2700 2701 CONECT 2700 2699 CONECT 2701 2699 2702 2706 CONECT 2702 2701 2703 2717 CONECT 2703 2702 2704 2712 CONECT 2704 2703 2705 2709 CONECT 2705 2704 2706 2708 CONECT 2706 2701 2705 2707 CONECT 2707 2706 CONECT 2708 2705 CONECT 2709 2704 2710 CONECT 2710 2709 2711 2715 2716 CONECT 2711 2710 2712 2714 CONECT 2712 2703 2711 2713 CONECT 2713 2712 CONECT 2714 2711 CONECT 2715 2710 CONECT 2716 2710 CONECT 2717 2702 CONECT 2718 2696 CONECT 2719 2695 CONECT 2720 2694 CONECT 2721 2693 CONECT 2722 2690 CONECT 2723 2690 CONECT 2724 2689 CONECT 2725 2688 CONECT 2726 2688 CONECT 2727 2683 CONECT 2728 2682 CONECT 2729 2682 CONECT 2730 2682 MASTER 0 0 0 0 0 0 0 0 2727 3 61 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
6gev
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mineralocorticoid receptor
Ligand Name
EWN
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Ki=2.00nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 1385-1406
Ligand Properties
Formula
C
2
1
H
2
1
FN
2
O
4
Molecular Weight
384.401
Exact Mass
384.149
No. of atoms
49
No. of bonds
52
Polar Surface Area
67.87
LOGP Value
3.49 (
Computed with XLOGP3
)
3.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
CC(C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F)C
InChI String
InChI=1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/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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