Browse entries in the PDBbind-CN Database
HEADER 5TC0_COMPLEX COMPND 5TC0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 43 GLU ASP VAL VAL ILE ASP ARG ASN LEU LEU ILE LEU GLY SEQRES 2 A 43 LYS ILE LEU GLY GLU GLY GLU PHE GLY SER VAL MET GLU SEQRES 3 A 43 GLY ASN LEU LYS GLN GLU ASP GLY THR SER LEU LYS VAL SEQRES 4 A 43 ALA VAL LYS THR SEQRES 1 A 102 MET LYS ASP PHE SER HIS PRO ASN VAL MET ARG LEU LEU SEQRES 2 A 102 GLY VAL CYS ILE GLU MET SER SER GLN GLY ILE PRO LYS SEQRES 3 A 102 PRO MET VAL ILE LEU PRO PHE MET LYS TYR GLY ASP LEU SEQRES 4 A 102 HIS THR TYR LEU LEU TYR SER ARG LEU GLU THR GLY PRO SEQRES 5 A 102 LYS HIS ILE PRO LEU GLN THR LEU LEU LYS PHE MET VAL SEQRES 6 A 102 ASP ILE ALA LEU GLY MET GLU TYR LEU SER ASN ARG ASN SEQRES 7 A 102 PHE LEU HIS ARG ASP LEU ALA ALA ARG ASN CYS MET LEU SEQRES 8 A 102 ARG ASP ASP MET THR VAL CYS VAL ALA ASP PHE SEQRES 1 A 9 MET PRO VAL LYS TRP ILE ALA ILE GLU SEQRES 1 A 84 THR SER LYS SER ASP VAL TRP ALA PHE GLY VAL THR MET SEQRES 2 A 84 TRP GLU ILE ALA THR ARG GLY MET THR PRO TYR PRO GLY SEQRES 3 A 84 VAL GLN ASN HIS GLU MET TYR ASP TYR LEU LEU HIS GLY SEQRES 4 A 84 HIS ARG LEU LYS GLN PRO GLU ASP CYS LEU ASP GLU LEU SEQRES 5 A 84 TYR GLU ILE MET TYR SER CYS TRP ARG THR ASP PRO LEU SEQRES 6 A 84 ASP ARG PRO THR PHE SER VAL LEU ARG LEU GLN LEU GLU SEQRES 7 A 84 LYS LEU LEU GLU SER LEU HET UNN A 258 48 ATOM 1 N GLU A 578 0.088 31.710 28.763 1.00 88.64 N ATOM 2 CA GLU A 578 -0.599 32.232 27.528 1.00 86.37 C ATOM 3 C GLU A 578 -0.034 33.600 27.032 1.00 84.95 C ATOM 4 O GLU A 578 -0.702 34.336 26.302 1.00 82.99 O ATOM 5 CB GLU A 578 -2.128 32.300 27.753 1.00 87.81 C ATOM 6 CG GLU A 578 -2.889 30.963 27.894 1.00 87.21 C ATOM 7 CD GLU A 578 -3.268 30.643 29.338 1.00 88.02 C ATOM 8 OE1 GLU A 578 -2.402 30.730 30.234 1.00 86.93 O ATOM 9 OE2 GLU A 578 -4.447 30.315 29.584 1.00 91.44 O ATOM 10 HN3 GLU A 578 -0.027 32.394 29.538 1.00 0.00 H ATOM 11 HN2 GLU A 578 1.100 31.576 28.565 1.00 0.00 H ATOM 12 HN1 GLU A 578 -0.336 30.801 29.036 1.00 0.00 H ATOM 13 N ASP A 579 1.210 33.906 27.414 1.00 84.60 N ATOM 14 CA ASP A 579 2.006 35.013 26.850 1.00 85.21 C ATOM 15 C ASP A 579 3.306 34.415 26.324 1.00 83.18 C ATOM 16 O ASP A 579 4.338 35.071 26.254 1.00 80.79 O ATOM 17 CB ASP A 579 2.246 36.151 27.876 1.00 90.84 C ATOM 18 CG ASP A 579 2.635 35.640 29.266 1.00 90.39 C ATOM 19 OD1 ASP A 579 2.739 34.411 29.468 1.00 84.68 O ATOM 20 OD2 ASP A 579 2.830 36.484 30.165 1.00 96.73 O ATOM 21 H ASP A 579 1.646 33.325 28.158 1.00 0.00 H ATOM 22 N VAL A 580 3.191 33.151 25.921 1.00 79.80 N ATOM 23 CA VAL A 580 4.254 32.353 25.332 1.00 75.06 C ATOM 24 C VAL A 580 4.119 32.339 23.797 1.00 76.18 C ATOM 25 O VAL A 580 4.991 31.828 23.094 1.00 71.00 O ATOM 26 CB VAL A 580 4.197 30.910 25.915 1.00 72.11 C ATOM 27 CG1 VAL A 580 3.002 30.108 25.388 1.00 73.04 C ATOM 28 CG2 VAL A 580 5.483 30.161 25.655 1.00 71.41 C ATOM 29 H VAL A 580 2.263 32.697 26.037 1.00 0.00 H ATOM 30 N VAL A 581 3.035 32.932 23.289 1.00 76.43 N ATOM 31 CA VAL A 581 2.635 32.789 21.890 1.00 75.95 C ATOM 32 C VAL A 581 3.530 33.637 20.983 1.00 74.96 C ATOM 33 O VAL A 581 4.055 34.667 21.399 1.00 79.24 O ATOM 34 CB VAL A 581 1.139 33.167 21.696 1.00 77.18 C ATOM 35 CG1 VAL A 581 0.716 33.090 20.230 1.00 78.12 C ATOM 36 CG2 VAL A 581 0.248 32.256 22.535 1.00 77.48 C ATOM 37 H VAL A 581 2.450 33.521 23.916 1.00 0.00 H ATOM 38 N ILE A 582 3.707 33.167 19.753 1.00 72.14 N ATOM 39 CA ILE A 582 4.434 33.867 18.704 1.00 70.83 C ATOM 40 C ILE A 582 3.466 34.122 17.544 1.00 71.57 C ATOM 41 O ILE A 582 2.673 33.249 17.181 1.00 70.29 O ATOM 42 CB ILE A 582 5.655 33.022 18.248 1.00 69.65 C ATOM 43 CG1 ILE A 582 6.762 33.102 19.302 1.00 68.31 C ATOM 44 CG2 ILE A 582 6.197 33.478 16.896 1.00 69.27 C ATOM 45 CD1 ILE A 582 7.818 32.024 19.189 1.00 68.73 C ATOM 46 H ILE A 582 3.299 32.238 19.525 1.00 0.00 H ATOM 47 N ASP A 583 3.544 35.326 16.973 1.00 73.75 N ATOM 48 CA ASP A 583 2.813 35.684 15.750 1.00 74.97 C ATOM 49 C ASP A 583 3.207 34.701 14.644 1.00 72.23 C ATOM 50 O ASP A 583 4.382 34.595 14.296 1.00 68.65 O ATOM 51 CB ASP A 583 3.153 37.131 15.344 1.00 78.49 C ATOM 52 CG ASP A 583 2.276 37.671 14.218 1.00 83.66 C ATOM 53 OD1 ASP A 583 1.902 36.917 13.292 1.00 85.72 O ATOM 54 OD2 ASP A 583 1.983 38.886 14.248 1.00 88.19 O ATOM 55 H ASP A 583 4.151 36.045 17.415 1.00 0.00 H ATOM 56 N ARG A 584 2.217 33.981 14.115 1.00 71.62 N ATOM 57 CA ARG A 584 2.421 32.945 13.086 1.00 68.90 C ATOM 58 C ARG A 584 3.223 33.441 11.876 1.00 69.10 C ATOM 59 O ARG A 584 3.963 32.666 11.259 1.00 64.68 O ATOM 60 CB ARG A 584 1.052 32.398 12.636 1.00 70.13 C ATOM 61 CG ARG A 584 1.054 31.378 11.499 1.00 70.02 C ATOM 62 CD ARG A 584 1.680 30.062 11.904 1.00 68.48 C ATOM 63 NE ARG A 584 1.874 29.171 10.759 1.00 68.47 N ATOM 64 CZ ARG A 584 2.862 29.263 9.864 1.00 68.58 C ATOM 65 NH1 ARG A 584 3.782 30.226 9.940 1.00 69.55 N ATOM 66 NH2 ARG A 584 2.933 28.379 8.870 1.00 67.75 N ATOM 67 HE ARG A 584 1.185 28.402 10.631 1.00 0.00 H ATOM 68 HH12 ARG A 584 4.541 30.277 9.231 1.00 0.00 H ATOM 69 HH11 ARG A 584 3.740 30.926 10.708 1.00 0.00 H ATOM 70 HH22 ARG A 584 3.699 28.444 8.170 1.00 0.00 H ATOM 71 HH21 ARG A 584 2.222 27.624 8.794 1.00 0.00 H ATOM 72 H ARG A 584 1.248 34.160 14.447 1.00 0.00 H ATOM 73 N ASN A 585 3.065 34.725 11.546 1.00 71.19 N ATOM 74 CA ASN A 585 3.764 35.349 10.414 1.00 72.38 C ATOM 75 C ASN A 585 5.283 35.446 10.561 1.00 67.89 C ATOM 76 O ASN A 585 5.980 35.588 9.562 1.00 67.56 O ATOM 77 CB ASN A 585 3.176 36.736 10.119 1.00 77.64 C ATOM 78 CG ASN A 585 1.717 36.668 9.681 1.00 83.11 C ATOM 79 OD1 ASN A 585 1.339 35.816 8.871 1.00 88.35 O ATOM 80 ND2 ASN A 585 0.889 37.553 10.223 1.00 85.92 N ATOM 81 HD22 ASN A 585 1.249 38.254 10.902 1.00 0.00 H ATOM 82 HD21 ASN A 585 -0.119 37.545 9.969 1.00 0.00 H ATOM 83 H ASN A 585 2.419 35.309 12.115 1.00 0.00 H ATOM 84 N LEU A 586 5.794 35.347 11.790 1.00 64.98 N ATOM 85 CA LEU A 586 7.242 35.322 12.033 1.00 61.51 C ATOM 86 C LEU A 586 7.897 33.971 11.743 1.00 59.17 C ATOM 87 O LEU A 586 9.107 33.843 11.900 1.00 57.20 O ATOM 88 CB LEU A 586 7.545 35.742 13.480 1.00 61.42 C ATOM 89 CG LEU A 586 7.110 37.157 13.902 1.00 62.74 C ATOM 90 CD1 LEU A 586 7.272 37.355 15.401 1.00 62.39 C ATOM 91 CD2 LEU A 586 7.878 38.231 13.144 1.00 62.82 C ATOM 92 H LEU A 586 5.146 35.286 12.601 1.00 0.00 H ATOM 93 N LEU A 587 7.112 32.981 11.299 1.00 59.57 N ATOM 94 CA LEU A 587 7.570 31.599 11.164 1.00 57.09 C ATOM 95 C LEU A 587 7.399 31.070 9.743 1.00 55.80 C ATOM 96 O LEU A 587 6.333 31.199 9.154 1.00 55.35 O ATOM 97 CB LEU A 587 6.780 30.714 12.135 1.00 56.87 C ATOM 98 CG LEU A 587 7.276 29.278 12.318 1.00 56.25 C ATOM 99 CD1 LEU A 587 8.619 29.239 13.036 1.00 54.76 C ATOM 100 CD2 LEU A 587 6.241 28.465 13.080 1.00 57.00 C ATOM 101 H LEU A 587 6.131 33.206 11.038 1.00 0.00 H ATOM 102 N ILE A 588 8.455 30.456 9.220 1.00 55.61 N ATOM 103 CA ILE A 588 8.439 29.774 7.929 1.00 56.07 C ATOM 104 C ILE A 588 8.742 28.296 8.192 1.00 53.66 C ATOM 105 O ILE A 588 9.717 27.988 8.863 1.00 52.39 O ATOM 106 CB ILE A 588 9.487 30.398 6.967 1.00 56.97 C ATOM 107 CG1 ILE A 588 9.124 31.851 6.653 1.00 61.00 C ATOM 108 CG2 ILE A 588 9.619 29.605 5.673 1.00 58.36 C ATOM 109 CD1 ILE A 588 7.777 32.062 5.975 1.00 64.10 C ATOM 110 H ILE A 588 9.343 30.462 9.761 1.00 0.00 H ATOM 111 N LEU A 589 7.916 27.401 7.648 1.00 53.74 N ATOM 112 CA LEU A 589 8.049 25.952 7.846 1.00 52.66 C ATOM 113 C LEU A 589 8.698 25.284 6.646 1.00 51.05 C ATOM 114 O LEU A 589 8.334 25.568 5.511 1.00 52.99 O ATOM 115 CB LEU A 589 6.672 25.326 8.058 1.00 54.26 C ATOM 116 CG LEU A 589 5.945 25.677 9.358 1.00 54.71 C ATOM 117 CD1 LEU A 589 4.477 25.289 9.281 1.00 57.19 C ATOM 118 CD2 LEU A 589 6.610 24.992 10.531 1.00 54.11 C ATOM 119 H LEU A 589 7.137 27.748 7.052 1.00 0.00 H ATOM 120 N GLY A 590 9.629 24.373 6.908 1.00 50.09 N ATOM 121 CA GLY A 590 10.357 23.645 5.862 1.00 50.79 C ATOM 122 C GLY A 590 10.100 22.147 5.904 1.00 51.22 C ATOM 123 O GLY A 590 9.011 21.715 6.244 1.00 51.65 O ATOM 124 H GLY A 590 9.853 24.166 7.902 1.00 0.00 H ATOM 125 N LYS A 591 11.108 21.365 5.543 1.00 53.59 N ATOM 126 CA LYS A 591 10.989 19.908 5.445 1.00 58.03 C ATOM 127 C LYS A 591 10.955 19.193 6.803 1.00 57.72 C ATOM 128 O LYS A 591 11.284 19.776 7.837 1.00 59.44 O ATOM 129 CB LYS A 591 12.094 19.331 4.539 1.00 60.84 C ATOM 130 CG LYS A 591 13.522 19.395 5.076 1.00 62.47 C ATOM 131 CD LYS A 591 14.565 19.190 3.967 1.00 65.79 C ATOM 132 CE LYS A 591 14.609 20.348 2.971 1.00 68.10 C ATOM 133 NZ LYS A 591 15.885 20.426 2.202 1.00 69.41 N ATOM 134 HZ1 LYS A 591 16.679 20.553 2.862 1.00 0.00 H ATOM 135 HZ2 LYS A 591 16.018 19.547 1.663 1.00 0.00 H ATOM 136 HZ3 LYS A 591 15.845 21.233 1.547 1.00 0.00 H ATOM 137 H LYS A 591 12.023 21.805 5.320 1.00 0.00 H ATOM 138 N ILE A 592 10.544 17.926 6.774 1.00 55.61 N ATOM 139 CA ILE A 592 10.303 17.138 7.981 1.00 53.54 C ATOM 140 C ILE A 592 11.634 16.623 8.528 1.00 50.62 C ATOM 141 O ILE A 592 12.463 16.137 7.766 1.00 49.22 O ATOM 142 CB ILE A 592 9.326 15.970 7.696 1.00 53.89 C ATOM 143 CG1 ILE A 592 7.976 16.521 7.233 1.00 55.99 C ATOM 144 CG2 ILE A 592 9.113 15.110 8.937 1.00 54.53 C ATOM 145 CD1 ILE A 592 7.116 15.509 6.520 1.00 58.06 C ATOM 146 H ILE A 592 10.387 17.477 5.849 1.00 0.00 H ATOM 147 N LEU A 593 11.818 16.753 9.844 1.00 48.57 N ATOM 148 CA LEU A 593 13.047 16.365 10.538 1.00 48.09 C ATOM 149 C LEU A 593 12.951 14.995 11.181 1.00 49.41 C ATOM 150 O LEU A 593 13.882 14.197 11.082 1.00 51.21 O ATOM 151 CB LEU A 593 13.374 17.380 11.632 1.00 47.21 C ATOM 152 CG LEU A 593 13.727 18.784 11.152 1.00 46.07 C ATOM 153 CD1 LEU A 593 13.832 19.701 12.360 1.00 45.97 C ATOM 154 CD2 LEU A 593 15.014 18.779 10.342 1.00 44.11 C ATOM 155 H LEU A 593 11.042 17.154 10.409 1.00 0.00 H ATOM 156 N GLY A 594 11.847 14.765 11.883 1.00 53.13 N ATOM 157 CA GLY A 594 11.511 13.461 12.474 1.00 53.78 C ATOM 158 C GLY A 594 10.010 13.390 12.672 1.00 55.68 C ATOM 159 O GLY A 594 9.318 14.388 12.482 1.00 57.32 O ATOM 160 H GLY A 594 11.182 15.552 12.023 1.00 0.00 H ATOM 161 N GLU A 595 9.503 12.216 13.037 1.00 61.39 N ATOM 162 CA GLU A 595 8.068 12.011 13.265 1.00 63.74 C ATOM 163 C GLU A 595 7.831 11.837 14.756 1.00 63.37 C ATOM 164 O GLU A 595 8.480 11.003 15.381 1.00 67.02 O ATOM 165 CB GLU A 595 7.581 10.783 12.492 1.00 67.98 C ATOM 166 CG GLU A 595 6.100 10.433 12.663 1.00 72.86 C ATOM 167 CD GLU A 595 5.149 11.559 12.272 1.00 74.92 C ATOM 168 OE1 GLU A 595 5.391 12.228 11.238 1.00 69.22 O ATOM 169 OE2 GLU A 595 4.147 11.759 12.999 1.00 75.12 O ATOM 170 H GLU A 595 10.149 11.411 13.166 1.00 0.00 H ATOM 171 N GLY A 596 6.906 12.622 15.316 1.00 62.82 N ATOM 172 CA GLY A 596 6.622 12.625 16.756 1.00 60.83 C ATOM 173 C GLY A 596 5.283 11.993 17.070 1.00 62.93 C ATOM 174 O GLY A 596 4.589 11.541 16.162 1.00 63.40 O ATOM 175 H GLY A 596 6.361 13.261 14.702 1.00 0.00 H ATOM 176 N GLU A 597 4.931 11.977 18.360 1.00 66.81 N ATOM 177 CA GLU A 597 3.676 11.386 18.867 1.00 71.52 C ATOM 178 C GLU A 597 2.429 11.928 18.167 1.00 71.32 C ATOM 179 O GLU A 597 1.649 11.157 17.609 1.00 74.84 O ATOM 180 CB GLU A 597 3.530 11.612 20.387 1.00 77.50 C ATOM 181 CG GLU A 597 4.470 10.781 21.260 1.00 83.28 C ATOM 182 CD GLU A 597 4.492 11.214 22.731 1.00 89.72 C ATOM 183 OE1 GLU A 597 5.537 11.010 23.404 1.00 86.48 O ATOM 184 OE2 GLU A 597 3.471 11.754 23.224 1.00 94.22 O ATOM 185 H GLU A 597 5.581 12.407 19.049 1.00 0.00 H ATOM 186 N PHE A 598 2.259 13.249 18.196 1.00 69.98 N ATOM 187 CA PHE A 598 1.059 13.916 17.656 1.00 70.65 C ATOM 188 C PHE A 598 1.154 14.350 16.182 1.00 68.89 C ATOM 189 O PHE A 598 0.144 14.737 15.585 1.00 70.28 O ATOM 190 CB PHE A 598 0.700 15.125 18.525 1.00 72.15 C ATOM 191 CG PHE A 598 0.196 14.757 19.892 1.00 74.83 C ATOM 192 CD1 PHE A 598 -1.142 14.395 20.081 1.00 77.54 C ATOM 193 CD2 PHE A 598 1.049 14.774 20.996 1.00 73.86 C ATOM 194 CE1 PHE A 598 -1.618 14.059 21.343 1.00 77.00 C ATOM 195 CE2 PHE A 598 0.580 14.436 22.259 1.00 73.87 C ATOM 196 CZ PHE A 598 -0.755 14.079 22.434 1.00 76.00 C ATOM 197 H PHE A 598 3.006 13.837 18.618 1.00 0.00 H ATOM 198 N GLY A 599 2.347 14.284 15.596 1.00 64.79 N ATOM 199 CA GLY A 599 2.547 14.693 14.208 1.00 63.65 C ATOM 200 C GLY A 599 4.014 14.847 13.854 1.00 63.28 C ATOM 201 O GLY A 599 4.895 14.345 14.558 1.00 62.12 O ATOM 202 H GLY A 599 3.159 13.931 16.141 1.00 0.00 H ATOM 203 N SER A 600 4.272 15.554 12.758 1.00 64.02 N ATOM 204 CA SER A 600 5.630 15.733 12.245 1.00 59.85 C ATOM 205 C SER A 600 6.384 16.833 13.004 1.00 55.17 C ATOM 206 O SER A 600 5.783 17.791 13.488 1.00 52.48 O ATOM 207 CB SER A 600 5.578 16.086 10.757 1.00 63.06 C ATOM 208 OG SER A 600 4.790 15.164 10.019 1.00 65.28 O ATOM 209 HG SER A 600 5.175 14.256 10.109 1.00 0.00 H ATOM 210 H SER A 600 3.481 15.995 12.248 1.00 0.00 H ATOM 211 N VAL A 601 7.698 16.669 13.114 1.00 51.03 N ATOM 212 CA VAL A 601 8.599 17.733 13.561 1.00 51.46 C ATOM 213 C VAL A 601 9.269 18.263 12.302 1.00 50.30 C ATOM 214 O VAL A 601 9.895 17.512 11.551 1.00 46.73 O ATOM 215 CB VAL A 601 9.656 17.251 14.584 1.00 53.33 C ATOM 216 CG1 VAL A 601 10.582 18.396 15.016 1.00 52.34 C ATOM 217 CG2 VAL A 601 8.967 16.636 15.799 1.00 54.15 C ATOM 218 H VAL A 601 8.105 15.743 12.872 1.00 0.00 H ATOM 219 N MET A 602 9.127 19.565 12.085 1.00 52.60 N ATOM 220 CA MET A 602 9.611 20.215 10.876 1.00 53.97 C ATOM 221 C MET A 602 10.695 21.220 11.212 1.00 50.32 C ATOM 222 O MET A 602 10.694 21.816 12.286 1.00 46.40 O ATOM 223 CB MET A 602 8.460 20.930 10.183 1.00 58.10 C ATOM 224 CG MET A 602 7.533 20.000 9.423 1.00 62.97 C ATOM 225 SD MET A 602 5.982 20.830 9.058 1.00 72.40 S ATOM 226 CE MET A 602 4.796 19.519 9.349 1.00 73.41 C ATOM 227 H MET A 602 8.651 20.143 12.807 1.00 0.00 H ATOM 228 N GLU A 603 11.612 21.405 10.269 1.00 49.83 N ATOM 229 CA GLU A 603 12.542 22.516 10.312 1.00 48.28 C ATOM 230 C GLU A 603 11.757 23.801 10.097 1.00 47.66 C ATOM 231 O GLU A 603 10.697 23.811 9.454 1.00 46.76 O ATOM 232 CB GLU A 603 13.616 22.386 9.226 1.00 50.35 C ATOM 233 CG GLU A 603 13.127 22.729 7.817 1.00 54.87 C ATOM 234 CD GLU A 603 14.215 22.787 6.768 1.00 58.51 C ATOM 235 OE1 GLU A 603 15.403 22.775 7.124 1.00 62.32 O ATOM 236 OE2 GLU A 603 13.877 22.847 5.567 1.00 61.75 O ATOM 237 H GLU A 603 11.664 20.733 9.477 1.00 0.00 H ATOM 238 N GLY A 604 12.292 24.892 10.622 1.00 47.40 N ATOM 239 CA GLY A 604 11.741 26.205 10.345 1.00 47.61 C ATOM 240 C GLY A 604 12.721 27.331 10.556 1.00 46.80 C ATOM 241 O GLY A 604 13.799 27.125 11.131 1.00 45.11 O ATOM 242 H GLY A 604 13.121 24.806 11.244 1.00 0.00 H ATOM 243 N ASN A 605 12.334 28.504 10.047 1.00 46.12 N ATOM 244 CA ASN A 605 13.016 29.772 10.276 1.00 45.54 C ATOM 245 C ASN A 605 12.108 30.645 11.127 1.00 46.12 C ATOM 246 O ASN A 605 10.946 30.855 10.768 1.00 47.08 O ATOM 247 CB ASN A 605 13.286 30.498 8.949 1.00 44.65 C ATOM 248 CG ASN A 605 14.332 29.803 8.084 1.00 44.16 C ATOM 249 OD1 ASN A 605 15.053 28.905 8.528 1.00 43.42 O ATOM 250 ND2 ASN A 605 14.416 30.221 6.834 1.00 44.57 N ATOM 251 HD22 ASN A 605 13.791 30.981 6.497 1.00 0.00 H ATOM 252 HD21 ASN A 605 15.107 29.791 6.187 1.00 0.00 H ATOM 253 H ASN A 605 11.486 28.513 9.445 1.00 0.00 H ATOM 254 N LEU A 606 12.626 31.135 12.250 1.00 46.23 N ATOM 255 CA LEU A 606 11.902 32.072 13.117 1.00 47.49 C ATOM 256 C LEU A 606 12.544 33.455 13.054 1.00 49.99 C ATOM 257 O LEU A 606 13.726 33.609 13.367 1.00 47.23 O ATOM 258 CB LEU A 606 11.925 31.585 14.566 1.00 46.19 C ATOM 259 CG LEU A 606 11.197 32.468 15.591 1.00 47.16 C ATOM 260 CD1 LEU A 606 9.697 32.423 15.364 1.00 48.45 C ATOM 261 CD2 LEU A 606 11.529 32.048 17.013 1.00 46.16 C ATOM 262 H LEU A 606 13.585 30.842 12.525 1.00 0.00 H ATOM 263 N LYS A 607 11.762 34.460 12.675 1.00 54.92 N ATOM 264 CA LYS A 607 12.238 35.844 12.699 1.00 60.24 C ATOM 265 C LYS A 607 12.137 36.344 14.134 1.00 58.48 C ATOM 266 O LYS A 607 11.060 36.320 14.718 1.00 59.11 O ATOM 267 CB LYS A 607 11.430 36.721 11.746 1.00 64.57 C ATOM 268 CG LYS A 607 12.064 38.077 11.484 1.00 70.02 C ATOM 269 CD LYS A 607 11.460 38.747 10.261 1.00 73.80 C ATOM 270 CE LYS A 607 12.038 40.133 10.052 1.00 78.08 C ATOM 271 NZ LYS A 607 11.579 40.736 8.773 1.00 83.52 N ATOM 272 HZ1 LYS A 607 11.879 40.134 7.980 1.00 0.00 H ATOM 273 HZ2 LYS A 607 10.542 40.812 8.779 1.00 0.00 H ATOM 274 HZ3 LYS A 607 11.996 41.683 8.668 1.00 0.00 H ATOM 275 H LYS A 607 10.793 34.259 12.355 1.00 0.00 H ATOM 276 N GLN A 608 13.268 36.767 14.693 1.00 58.87 N ATOM 277 CA GLN A 608 13.371 37.141 16.104 1.00 59.71 C ATOM 278 C GLN A 608 13.216 38.643 16.321 1.00 61.70 C ATOM 279 O GLN A 608 13.160 39.413 15.356 1.00 59.40 O ATOM 280 CB GLN A 608 14.708 36.666 16.658 1.00 60.12 C ATOM 281 CG GLN A 608 14.757 35.161 16.813 1.00 63.86 C ATOM 282 CD GLN A 608 16.082 34.686 17.359 1.00 65.59 C ATOM 283 OE1 GLN A 608 16.141 34.066 18.421 1.00 64.25 O ATOM 284 NE2 GLN A 608 17.163 34.995 16.642 1.00 67.42 N ATOM 285 HE22 GLN A 608 17.063 35.521 15.750 1.00 0.00 H ATOM 286 HE21 GLN A 608 18.106 34.710 16.975 1.00 0.00 H ATOM 287 H GLN A 608 14.119 36.835 14.099 1.00 0.00 H ATOM 288 N GLU A 609 13.172 39.039 17.596 1.00 64.48 N ATOM 289 CA GLU A 609 12.963 40.433 17.994 1.00 68.53 C ATOM 290 C GLU A 609 14.061 41.389 17.484 1.00 66.51 C ATOM 291 O GLU A 609 13.785 42.565 17.212 1.00 69.34 O ATOM 292 CB GLU A 609 12.832 40.551 19.522 1.00 73.88 C ATOM 293 CG GLU A 609 11.723 39.722 20.187 1.00 80.59 C ATOM 294 CD GLU A 609 10.304 40.158 19.831 1.00 89.79 C ATOM 295 OE1 GLU A 609 9.549 40.541 20.759 1.00 94.70 O ATOM 296 OE2 GLU A 609 9.933 40.126 18.631 1.00 94.52 O ATOM 297 H GLU A 609 13.292 38.324 18.341 1.00 0.00 H ATOM 298 N ASP A 610 15.287 40.876 17.337 1.00 63.76 N ATOM 299 CA ASP A 610 16.408 41.636 16.762 1.00 62.47 C ATOM 300 C ASP A 610 16.424 41.732 15.230 1.00 61.22 C ATOM 301 O ASP A 610 17.401 42.225 14.653 1.00 62.67 O ATOM 302 CB ASP A 610 17.762 41.094 17.269 1.00 62.86 C ATOM 303 CG ASP A 610 18.104 39.700 16.730 1.00 63.53 C ATOM 304 OD1 ASP A 610 17.509 39.257 15.723 1.00 63.22 O ATOM 305 OD2 ASP A 610 18.970 39.033 17.343 1.00 64.12 O ATOM 306 H ASP A 610 15.456 39.896 17.643 1.00 0.00 H ATOM 307 N GLY A 611 15.378 41.241 14.564 1.00 61.19 N ATOM 308 CA GLY A 611 15.306 41.271 13.100 1.00 60.81 C ATOM 309 C GLY A 611 15.930 40.081 12.391 1.00 59.70 C ATOM 310 O GLY A 611 15.602 39.825 11.246 1.00 60.78 O ATOM 311 H GLY A 611 14.590 40.824 15.099 1.00 0.00 H ATOM 312 N THR A 612 16.816 39.343 13.060 1.00 58.14 N ATOM 313 CA THR A 612 17.491 38.196 12.458 1.00 56.29 C ATOM 314 C THR A 612 16.575 36.977 12.449 1.00 56.04 C ATOM 315 O THR A 612 15.542 36.956 13.126 1.00 55.91 O ATOM 316 CB THR A 612 18.786 37.820 13.214 1.00 54.92 C ATOM 317 OG1 THR A 612 18.475 37.361 14.536 1.00 52.11 O ATOM 318 CG2 THR A 612 19.737 39.008 13.290 1.00 55.75 C ATOM 319 HG1 THR A 612 18.008 38.079 15.032 1.00 0.00 H ATOM 320 H THR A 612 17.034 39.593 14.046 1.00 0.00 H ATOM 321 N SER A 613 16.977 35.966 11.681 1.00 55.38 N ATOM 322 CA SER A 613 16.229 34.716 11.560 1.00 55.88 C ATOM 323 C SER A 613 17.017 33.564 12.172 1.00 53.07 C ATOM 324 O SER A 613 18.211 33.436 11.939 1.00 54.64 O ATOM 325 CB SER A 613 15.899 34.417 10.096 1.00 57.83 C ATOM 326 OG SER A 613 14.740 35.137 9.691 1.00 61.09 O ATOM 327 HG SER A 613 14.541 34.933 8.743 1.00 0.00 H ATOM 328 H SER A 613 17.862 36.070 11.144 1.00 0.00 H ATOM 329 N LEU A 614 16.331 32.738 12.953 1.00 51.00 N ATOM 330 CA LEU A 614 16.933 31.610 13.664 1.00 50.07 C ATOM 331 C LEU A 614 16.342 30.313 13.126 1.00 47.46 C ATOM 332 O LEU A 614 15.125 30.214 12.912 1.00 45.31 O ATOM 333 CB LEU A 614 16.643 31.741 15.165 1.00 49.98 C ATOM 334 CG LEU A 614 17.104 30.631 16.114 1.00 50.06 C ATOM 335 CD1 LEU A 614 18.622 30.533 16.145 1.00 49.57 C ATOM 336 CD2 LEU A 614 16.547 30.864 17.510 1.00 49.98 C ATOM 337 H LEU A 614 15.310 32.902 13.065 1.00 0.00 H ATOM 338 N LYS A 615 17.197 29.320 12.915 1.00 46.48 N ATOM 339 CA LYS A 615 16.716 27.992 12.573 1.00 47.02 C ATOM 340 C LYS A 615 16.067 27.387 13.811 1.00 43.39 C ATOM 341 O LYS A 615 16.629 27.428 14.892 1.00 42.15 O ATOM 342 CB LYS A 615 17.839 27.085 12.071 1.00 48.74 C ATOM 343 CG LYS A 615 17.328 25.892 11.273 1.00 50.72 C ATOM 344 CD LYS A 615 16.935 26.306 9.863 1.00 56.96 C ATOM 345 CE LYS A 615 16.503 25.111 9.025 1.00 61.14 C ATOM 346 NZ LYS A 615 17.513 24.014 8.889 1.00 62.65 N ATOM 347 HZ1 LYS A 615 18.373 24.390 8.441 1.00 0.00 H ATOM 348 HZ2 LYS A 615 17.747 23.641 9.831 1.00 0.00 H ATOM 349 HZ3 LYS A 615 17.119 23.252 8.301 1.00 0.00 H ATOM 350 H LYS A 615 18.219 29.494 12.995 1.00 0.00 H ATOM 351 N VAL A 616 14.881 26.831 13.630 1.00 42.84 N ATOM 352 CA VAL A 616 14.122 26.232 14.718 1.00 42.68 C ATOM 353 C VAL A 616 13.583 24.864 14.316 1.00 41.86 C ATOM 354 O VAL A 616 13.586 24.510 13.137 1.00 40.38 O ATOM 355 CB VAL A 616 12.967 27.154 15.162 1.00 43.21 C ATOM 356 CG1 VAL A 616 13.527 28.444 15.745 1.00 42.63 C ATOM 357 CG2 VAL A 616 12.017 27.468 14.011 1.00 45.72 C ATOM 358 H VAL A 616 14.475 26.821 12.673 1.00 0.00 H ATOM 359 N ALA A 617 13.156 24.095 15.316 1.00 41.61 N ATOM 360 CA ALA A 617 12.372 22.886 15.105 1.00 40.83 C ATOM 361 C ALA A 617 10.940 23.187 15.512 1.00 42.49 C ATOM 362 O ALA A 617 10.707 23.879 16.510 1.00 43.87 O ATOM 363 CB ALA A 617 12.930 21.739 15.927 1.00 41.26 C ATOM 364 H ALA A 617 13.393 24.370 16.291 1.00 0.00 H ATOM 365 N VAL A 618 9.987 22.656 14.750 1.00 44.45 N ATOM 366 CA VAL A 618 8.569 22.915 14.971 1.00 46.49 C ATOM 367 C VAL A 618 7.780 21.610 15.097 1.00 47.17 C ATOM 368 O VAL A 618 7.569 20.897 14.109 1.00 45.09 O ATOM 369 CB VAL A 618 7.982 23.771 13.836 1.00 49.04 C ATOM 370 CG1 VAL A 618 6.526 24.122 14.126 1.00 49.26 C ATOM 371 CG2 VAL A 618 8.812 25.043 13.642 1.00 50.59 C ATOM 372 H VAL A 618 10.264 22.032 13.966 1.00 0.00 H ATOM 373 N LYS A 619 7.345 21.313 16.319 1.00 49.02 N ATOM 374 CA LYS A 619 6.478 20.157 16.580 1.00 52.67 C ATOM 375 C LYS A 619 5.054 20.522 16.261 1.00 52.91 C ATOM 376 O LYS A 619 4.513 21.444 16.860 1.00 51.03 O ATOM 377 CB LYS A 619 6.535 19.702 18.040 1.00 53.43 C ATOM 378 CG LYS A 619 7.785 18.937 18.438 1.00 53.81 C ATOM 379 CD LYS A 619 7.748 18.619 19.939 1.00 55.60 C ATOM 380 CE LYS A 619 8.583 17.389 20.261 1.00 54.42 C ATOM 381 NZ LYS A 619 8.542 17.021 21.700 1.00 55.60 N ATOM 382 HZ1 LYS A 619 8.908 17.811 22.269 1.00 0.00 H ATOM 383 HZ2 LYS A 619 7.560 16.819 21.977 1.00 0.00 H ATOM 384 HZ3 LYS A 619 9.129 16.177 21.858 1.00 0.00 H ATOM 385 H LYS A 619 7.628 21.919 17.115 1.00 0.00 H ATOM 386 N THR A 620 4.472 19.750 15.341 1.00 56.57 N ATOM 387 CA THR A 620 3.109 19.898 14.856 1.00 60.15 C ATOM 388 C THR A 620 2.294 18.691 15.333 1.00 58.97 C ATOM 389 O THR A 620 1.233 18.376 14.787 1.00 59.41 O ATOM 390 CB THR A 620 3.105 19.940 13.310 1.00 63.37 C ATOM 391 OG1 THR A 620 3.716 18.747 12.799 1.00 63.76 O ATOM 392 CG2 THR A 620 3.887 21.146 12.793 1.00 63.76 C ATOM 393 HG1 THR A 620 4.649 18.689 13.126 1.00 0.00 H ATOM 394 H THR A 620 5.041 18.978 14.937 1.00 0.00 H TER 395 THR A 620 ATOM 396 N MET A 641 6.920 23.335 30.691 1.00 71.48 N ATOM 397 CA MET A 641 8.223 23.433 29.961 1.00 70.00 C ATOM 398 C MET A 641 8.799 24.839 29.843 1.00 69.81 C ATOM 399 O MET A 641 10.014 24.977 29.765 1.00 64.93 O ATOM 400 CB MET A 641 8.083 22.843 28.545 1.00 73.33 C ATOM 401 CG MET A 641 9.326 22.881 27.640 1.00 75.23 C ATOM 402 SD MET A 641 9.162 21.986 26.054 1.00 74.24 S ATOM 403 CE MET A 641 10.849 21.721 25.512 1.00 67.97 C ATOM 404 HN3 MET A 641 6.205 23.908 30.199 1.00 0.00 H ATOM 405 HN2 MET A 641 7.041 23.688 31.662 1.00 0.00 H ATOM 406 HN1 MET A 641 6.613 22.342 30.717 1.00 0.00 H ATOM 407 N LYS A 642 7.957 25.870 29.779 1.00 75.54 N ATOM 408 CA LYS A 642 8.447 27.247 29.614 1.00 81.29 C ATOM 409 C LYS A 642 9.226 27.799 30.819 1.00 82.89 C ATOM 410 O LYS A 642 10.124 28.635 30.649 1.00 81.19 O ATOM 411 CB LYS A 642 7.291 28.178 29.270 1.00 87.38 C ATOM 412 CG LYS A 642 7.669 29.581 28.847 1.00 91.62 C ATOM 413 CD LYS A 642 8.571 29.620 27.607 1.00 90.37 C ATOM 414 CE LYS A 642 9.343 30.938 27.415 1.00 89.22 C ATOM 415 NZ LYS A 642 8.554 31.977 26.692 1.00 90.32 N ATOM 416 HZ1 LYS A 642 8.296 31.621 25.749 1.00 0.00 H ATOM 417 HZ2 LYS A 642 7.691 32.192 27.230 1.00 0.00 H ATOM 418 HZ3 LYS A 642 9.127 32.840 26.594 1.00 0.00 H ATOM 419 H LYS A 642 6.934 25.698 29.847 1.00 0.00 H ATOM 420 N ASP A 643 8.904 27.325 32.021 1.00 82.34 N ATOM 421 CA ASP A 643 9.696 27.679 33.211 1.00 82.54 C ATOM 422 C ASP A 643 11.127 27.113 33.206 1.00 79.92 C ATOM 423 O ASP A 643 12.028 27.714 33.799 1.00 84.26 O ATOM 424 CB ASP A 643 9.015 27.203 34.495 1.00 83.20 C ATOM 425 CG ASP A 643 7.744 27.971 34.819 1.00 84.58 C ATOM 426 OD1 ASP A 643 7.627 29.152 34.420 1.00 86.55 O ATOM 427 OD2 ASP A 643 6.869 27.395 35.501 1.00 81.86 O ATOM 428 H ASP A 643 8.082 26.696 32.121 1.00 0.00 H ATOM 429 N PHE A 644 11.340 25.968 32.557 1.00 69.46 N ATOM 430 CA PHE A 644 12.633 25.296 32.635 1.00 63.83 C ATOM 431 C PHE A 644 13.730 26.110 31.964 1.00 57.65 C ATOM 432 O PHE A 644 13.600 26.504 30.812 1.00 60.20 O ATOM 433 CB PHE A 644 12.594 23.900 31.988 1.00 67.43 C ATOM 434 CG PHE A 644 11.605 22.938 32.607 1.00 69.91 C ATOM 435 CD1 PHE A 644 11.211 23.027 33.950 1.00 71.41 C ATOM 436 CD2 PHE A 644 11.086 21.905 31.832 1.00 73.00 C ATOM 437 CE1 PHE A 644 10.303 22.124 34.482 1.00 73.41 C ATOM 438 CE2 PHE A 644 10.181 21.000 32.365 1.00 73.11 C ATOM 439 CZ PHE A 644 9.789 21.113 33.688 1.00 72.38 C ATOM 440 H PHE A 644 10.576 25.549 31.989 1.00 0.00 H ATOM 441 N SER A 645 14.808 26.354 32.697 1.00 54.16 N ATOM 442 CA SER A 645 15.987 27.010 32.155 1.00 52.95 C ATOM 443 C SER A 645 17.227 26.275 32.659 1.00 51.46 C ATOM 444 O SER A 645 17.581 26.377 33.837 1.00 51.25 O ATOM 445 CB SER A 645 16.019 28.477 32.574 1.00 53.82 C ATOM 446 OG SER A 645 17.184 29.096 32.053 1.00 54.16 O ATOM 447 HG SER A 645 17.201 30.047 32.327 1.00 0.00 H ATOM 448 H SER A 645 14.810 26.066 33.696 1.00 0.00 H ATOM 449 N HIS A 646 17.853 25.506 31.769 1.00 48.63 N ATOM 450 CA HIS A 646 19.038 24.714 32.093 1.00 44.93 C ATOM 451 C HIS A 646 19.647 24.255 30.764 1.00 43.41 C ATOM 452 O HIS A 646 18.901 23.891 29.857 1.00 40.72 O ATOM 453 CB HIS A 646 18.641 23.503 32.962 1.00 47.15 C ATOM 454 CG HIS A 646 19.805 22.803 33.592 1.00 45.97 C ATOM 455 ND1 HIS A 646 20.545 21.853 32.926 1.00 43.00 N ATOM 456 CD2 HIS A 646 20.376 22.939 34.812 1.00 44.35 C ATOM 457 CE1 HIS A 646 21.525 21.434 33.705 1.00 43.44 C ATOM 458 NE2 HIS A 646 21.444 22.077 34.857 1.00 44.05 N ATOM 459 H HIS A 646 17.481 25.467 30.799 1.00 0.00 H ATOM 460 N PRO A 647 20.988 24.277 30.631 1.00 43.72 N ATOM 461 CA PRO A 647 21.624 23.977 29.328 1.00 43.99 C ATOM 462 C PRO A 647 21.399 22.561 28.791 1.00 45.09 C ATOM 463 O PRO A 647 21.355 22.365 27.582 1.00 49.01 O ATOM 464 CB PRO A 647 23.120 24.223 29.588 1.00 45.37 C ATOM 465 CG PRO A 647 23.280 24.220 31.062 1.00 45.55 C ATOM 466 CD PRO A 647 21.979 24.680 31.644 1.00 44.60 C ATOM 467 N ASN A 648 21.286 21.590 29.687 1.00 44.50 N ATOM 468 CA ASN A 648 20.945 20.192 29.345 1.00 42.16 C ATOM 469 C ASN A 648 19.451 19.842 29.371 1.00 42.21 C ATOM 470 O ASN A 648 19.097 18.681 29.534 1.00 43.65 O ATOM 471 CB ASN A 648 21.690 19.257 30.293 1.00 39.76 C ATOM 472 CG ASN A 648 23.157 19.594 30.390 1.00 40.33 C ATOM 473 OD1 ASN A 648 23.651 19.978 31.449 1.00 40.73 O ATOM 474 ND2 ASN A 648 23.856 19.501 29.265 1.00 39.70 N ATOM 475 HD22 ASN A 648 23.396 19.171 28.393 1.00 0.00 H ATOM 476 HD21 ASN A 648 24.864 19.758 29.256 1.00 0.00 H ATOM 477 H ASN A 648 21.446 21.825 30.687 1.00 0.00 H ATOM 478 N VAL A 649 18.581 20.837 29.231 1.00 44.24 N ATOM 479 CA VAL A 649 17.134 20.620 29.152 1.00 44.46 C ATOM 480 C VAL A 649 16.628 21.441 27.985 1.00 46.02 C ATOM 481 O VAL A 649 16.956 22.615 27.870 1.00 46.52 O ATOM 482 CB VAL A 649 16.404 21.090 30.426 1.00 43.50 C ATOM 483 CG1 VAL A 649 14.900 20.888 30.296 1.00 44.05 C ATOM 484 CG2 VAL A 649 16.951 20.359 31.638 1.00 44.93 C ATOM 485 H VAL A 649 18.942 21.811 29.175 1.00 0.00 H ATOM 486 N MET A 650 15.827 20.820 27.132 1.00 47.38 N ATOM 487 CA MET A 650 15.225 21.498 25.999 1.00 50.28 C ATOM 488 C MET A 650 14.410 22.707 26.463 1.00 49.99 C ATOM 489 O MET A 650 13.460 22.541 27.227 1.00 47.20 O ATOM 490 CB MET A 650 14.309 20.511 25.269 1.00 51.38 C ATOM 491 CG MET A 650 13.632 21.033 24.010 1.00 53.20 C ATOM 492 SD MET A 650 14.814 21.087 22.656 1.00 54.79 S ATOM 493 CE MET A 650 14.935 19.394 22.109 1.00 54.42 C ATOM 494 H MET A 650 15.622 19.811 27.280 1.00 0.00 H ATOM 495 N ARG A 651 14.798 23.904 26.005 1.00 52.90 N ATOM 496 CA ARG A 651 14.026 25.140 26.225 1.00 54.14 C ATOM 497 C ARG A 651 12.870 25.251 25.219 1.00 50.62 C ATOM 498 O ARG A 651 13.006 24.852 24.062 1.00 45.48 O ATOM 499 CB ARG A 651 14.933 26.394 26.145 1.00 61.27 C ATOM 500 CG ARG A 651 15.361 26.847 24.736 1.00 71.06 C ATOM 501 CD ARG A 651 16.240 28.136 24.697 1.00 76.35 C ATOM 502 NE ARG A 651 17.480 27.983 25.453 1.00 84.24 N ATOM 503 CZ ARG A 651 18.555 27.273 25.083 1.00 86.84 C ATOM 504 NH1 ARG A 651 18.594 26.590 23.932 1.00 86.34 N ATOM 505 NH2 ARG A 651 19.615 27.234 25.896 1.00 85.43 N ATOM 506 HE ARG A 651 17.534 28.473 26.369 1.00 0.00 H ATOM 507 HH12 ARG A 651 19.445 26.050 23.677 1.00 0.00 H ATOM 508 HH11 ARG A 651 17.773 26.600 23.293 1.00 0.00 H ATOM 509 HH22 ARG A 651 20.458 26.688 25.626 1.00 0.00 H ATOM 510 HH21 ARG A 651 19.597 27.749 26.799 1.00 0.00 H ATOM 511 H ARG A 651 15.687 23.964 25.468 1.00 0.00 H ATOM 512 N LEU A 652 11.737 25.780 25.680 1.00 51.24 N ATOM 513 CA LEU A 652 10.646 26.199 24.811 1.00 51.73 C ATOM 514 C LEU A 652 10.865 27.631 24.311 1.00 51.77 C ATOM 515 O LEU A 652 10.995 28.557 25.116 1.00 55.33 O ATOM 516 CB LEU A 652 9.303 26.102 25.551 1.00 53.82 C ATOM 517 CG LEU A 652 8.067 26.525 24.750 1.00 57.43 C ATOM 518 CD1 LEU A 652 7.712 25.457 23.736 1.00 59.68 C ATOM 519 CD2 LEU A 652 6.869 26.803 25.639 1.00 59.65 C ATOM 520 H LEU A 652 11.627 25.899 26.707 1.00 0.00 H ATOM 521 N LEU A 653 10.862 27.808 22.987 1.00 50.03 N ATOM 522 CA LEU A 653 10.949 29.138 22.368 1.00 50.71 C ATOM 523 C LEU A 653 9.584 29.839 22.286 1.00 51.51 C ATOM 524 O LEU A 653 9.498 31.037 22.500 1.00 53.05 O ATOM 525 CB LEU A 653 11.575 29.043 20.980 1.00 49.38 C ATOM 526 CG LEU A 653 12.964 28.403 20.924 1.00 48.97 C ATOM 527 CD1 LEU A 653 13.415 28.259 19.481 1.00 48.39 C ATOM 528 CD2 LEU A 653 13.976 29.216 21.725 1.00 49.92 C ATOM 529 H LEU A 653 10.796 26.973 22.371 1.00 0.00 H ATOM 530 N GLY A 654 8.531 29.086 21.979 1.00 52.79 N ATOM 531 CA GLY A 654 7.167 29.608 21.993 1.00 54.34 C ATOM 532 C GLY A 654 6.161 28.693 21.318 1.00 57.28 C ATOM 533 O GLY A 654 6.459 27.530 21.026 1.00 56.81 O ATOM 534 H GLY A 654 8.685 28.091 21.720 1.00 0.00 H ATOM 535 N VAL A 655 4.963 29.229 21.086 1.00 61.12 N ATOM 536 CA VAL A 655 3.870 28.499 20.440 1.00 63.46 C ATOM 537 C VAL A 655 3.258 29.372 19.341 1.00 65.89 C ATOM 538 O VAL A 655 3.123 30.579 19.509 1.00 68.28 O ATOM 539 CB VAL A 655 2.767 28.090 21.459 1.00 63.28 C ATOM 540 CG1 VAL A 655 1.623 27.342 20.775 1.00 65.31 C ATOM 541 CG2 VAL A 655 3.349 27.229 22.572 1.00 60.93 C ATOM 542 H VAL A 655 4.796 30.213 21.378 1.00 0.00 H ATOM 543 N CYS A 656 2.896 28.750 18.222 1.00 67.68 N ATOM 544 CA CYS A 656 2.092 29.380 17.175 1.00 70.87 C ATOM 545 C CYS A 656 0.840 28.538 17.006 1.00 71.62 C ATOM 546 O CYS A 656 0.889 27.304 17.073 1.00 68.92 O ATOM 547 CB CYS A 656 2.858 29.441 15.851 1.00 73.59 C ATOM 548 SG CYS A 656 4.298 30.528 15.813 1.00 80.38 S ATOM 549 H CYS A 656 3.200 27.765 18.085 1.00 0.00 H ATOM 550 N ILE A 657 -0.289 29.213 16.829 1.00 76.75 N ATOM 551 CA ILE A 657 -1.518 28.567 16.403 1.00 80.98 C ATOM 552 C ILE A 657 -1.744 29.052 14.981 1.00 80.02 C ATOM 553 O ILE A 657 -1.939 30.239 14.758 1.00 77.40 O ATOM 554 CB ILE A 657 -2.724 28.935 17.301 1.00 85.21 C ATOM 555 CG1 ILE A 657 -2.398 28.714 18.787 1.00 84.13 C ATOM 556 CG2 ILE A 657 -3.956 28.125 16.902 1.00 88.36 C ATOM 557 CD1 ILE A 657 -1.997 27.300 19.153 1.00 82.59 C ATOM 558 H ILE A 657 -0.294 30.239 17.001 1.00 0.00 H ATOM 559 N GLU A 658 -1.651 28.136 14.023 1.00 82.40 N ATOM 560 CA GLU A 658 -2.060 28.408 12.653 1.00 85.12 C ATOM 561 C GLU A 658 -3.552 28.143 12.564 1.00 83.98 C ATOM 562 O GLU A 658 -4.107 27.361 13.338 1.00 84.27 O ATOM 563 CB GLU A 658 -1.306 27.515 11.660 1.00 89.55 C ATOM 564 CG GLU A 658 -1.477 27.923 10.198 1.00 97.33 C ATOM 565 CD GLU A 658 -0.676 27.064 9.228 1.00102.15 C ATOM 566 OE1 GLU A 658 0.556 26.933 9.416 1.00103.53 O ATOM 567 OE2 GLU A 658 -1.278 26.531 8.266 1.00103.83 O ATOM 568 H GLU A 658 -1.274 27.196 14.259 1.00 0.00 H ATOM 569 N MET A 659 -4.195 28.820 11.627 1.00 83.30 N ATOM 570 CA MET A 659 -5.570 28.550 11.296 1.00 84.77 C ATOM 571 C MET A 659 -5.554 27.720 10.028 1.00 82.48 C ATOM 572 O MET A 659 -4.913 28.092 9.048 1.00 83.29 O ATOM 573 CB MET A 659 -6.316 29.863 11.076 1.00 91.59 C ATOM 574 CG MET A 659 -6.429 30.718 12.329 1.00 93.80 C ATOM 575 SD MET A 659 -7.547 29.977 13.532 1.00 98.52 S ATOM 576 CE MET A 659 -9.129 30.360 12.773 1.00 99.13 C ATOM 577 H MET A 659 -3.691 29.571 11.113 1.00 0.00 H ATOM 578 N SER A 660 -6.239 26.582 10.059 1.00 80.22 N ATOM 579 CA SER A 660 -6.434 25.750 8.868 1.00 77.86 C ATOM 580 C SER A 660 -7.348 26.476 7.891 1.00 79.66 C ATOM 581 O SER A 660 -7.885 27.537 8.218 1.00 78.13 O ATOM 582 CB SER A 660 -7.067 24.416 9.268 1.00 75.96 C ATOM 583 OG SER A 660 -7.312 23.585 8.156 1.00 74.15 O ATOM 584 HG SER A 660 -7.720 22.737 8.463 1.00 0.00 H ATOM 585 H SER A 660 -6.652 26.270 10.961 1.00 0.00 H ATOM 586 N SER A 661 -7.542 25.898 6.705 1.00 80.42 N ATOM 587 CA SER A 661 -8.496 26.447 5.733 1.00 82.47 C ATOM 588 C SER A 661 -9.940 26.337 6.206 1.00 83.91 C ATOM 589 O SER A 661 -10.750 27.183 5.861 1.00 89.71 O ATOM 590 CB SER A 661 -8.356 25.787 4.368 1.00 84.04 C ATOM 591 OG SER A 661 -7.164 26.212 3.740 1.00 85.08 O ATOM 592 HG SER A 661 -7.085 25.776 2.855 1.00 0.00 H ATOM 593 H SER A 661 -7.006 25.040 6.463 1.00 0.00 H ATOM 594 N GLN A 662 -10.259 25.310 6.990 1.00 83.03 N ATOM 595 CA GLN A 662 -11.608 25.147 7.554 1.00 84.42 C ATOM 596 C GLN A 662 -11.779 25.795 8.933 1.00 86.08 C ATOM 597 O GLN A 662 -12.903 25.857 9.451 1.00 87.55 O ATOM 598 CB GLN A 662 -11.980 23.659 7.605 1.00 82.89 C ATOM 599 CG GLN A 662 -11.777 22.926 6.281 1.00 81.53 C ATOM 600 CD GLN A 662 -12.411 23.656 5.105 1.00 82.42 C ATOM 601 OE1 GLN A 662 -13.578 24.028 5.163 1.00 80.89 O ATOM 602 NE2 GLN A 662 -11.639 23.885 4.046 1.00 82.40 N ATOM 603 HE22 GLN A 662 -10.654 23.552 4.039 1.00 0.00 H ATOM 604 HE21 GLN A 662 -12.021 24.397 3.225 1.00 0.00 H ATOM 605 H GLN A 662 -9.532 24.600 7.211 1.00 0.00 H ATOM 606 N GLY A 663 -10.680 26.286 9.508 1.00 85.67 N ATOM 607 CA GLY A 663 -10.697 26.958 10.798 1.00 88.05 C ATOM 608 C GLY A 663 -10.321 26.067 11.966 1.00 91.25 C ATOM 609 O GLY A 663 -10.345 26.529 13.104 1.00 96.50 O ATOM 610 H GLY A 663 -9.771 26.184 9.012 1.00 0.00 H ATOM 611 N ILE A 664 -9.974 24.802 11.710 1.00 96.06 N ATOM 612 CA ILE A 664 -9.528 23.896 12.780 1.00 99.60 C ATOM 613 C ILE A 664 -8.117 24.323 13.256 1.00 96.85 C ATOM 614 O ILE A 664 -7.223 24.522 12.426 1.00 93.51 O ATOM 615 CB ILE A 664 -9.606 22.390 12.355 1.00102.60 C ATOM 616 CG1 ILE A 664 -9.691 21.471 13.588 1.00103.48 C ATOM 617 CG2 ILE A 664 -8.458 21.964 11.439 1.00100.77 C ATOM 618 CD1 ILE A 664 -11.089 21.340 14.166 1.00104.08 C ATOM 619 H ILE A 664 -10.020 24.450 10.732 1.00 0.00 H ATOM 620 N PRO A 665 -7.931 24.521 14.583 1.00 95.74 N ATOM 621 CA PRO A 665 -6.601 24.856 15.101 1.00 92.02 C ATOM 622 C PRO A 665 -5.510 23.841 14.759 1.00 89.21 C ATOM 623 O PRO A 665 -5.745 22.631 14.758 1.00 86.12 O ATOM 624 CB PRO A 665 -6.817 24.904 16.613 1.00 91.08 C ATOM 625 CG PRO A 665 -8.219 25.356 16.756 1.00 95.28 C ATOM 626 CD PRO A 665 -8.963 24.701 15.624 1.00 97.29 C ATOM 627 N LYS A 666 -4.335 24.367 14.441 1.00 88.40 N ATOM 628 CA LYS A 666 -3.139 23.578 14.214 1.00 86.92 C ATOM 629 C LYS A 666 -2.102 24.188 15.163 1.00 86.31 C ATOM 630 O LYS A 666 -1.446 25.166 14.797 1.00 94.08 O ATOM 631 CB LYS A 666 -2.693 23.716 12.758 1.00 85.97 C ATOM 632 CG LYS A 666 -3.753 23.365 11.723 1.00 88.43 C ATOM 633 CD LYS A 666 -3.382 24.022 10.366 1.00 90.35 C ATOM 634 CE LYS A 666 -2.646 23.086 9.440 1.00 89.34 C ATOM 635 NZ LYS A 666 -2.344 23.706 8.120 1.00 90.11 N ATOM 636 HZ1 LYS A 666 -3.233 23.981 7.656 1.00 0.00 H ATOM 637 HZ2 LYS A 666 -1.750 24.548 8.262 1.00 0.00 H ATOM 638 HZ3 LYS A 666 -1.838 23.020 7.524 1.00 0.00 H ATOM 639 H LYS A 666 -4.267 25.401 14.349 1.00 0.00 H ATOM 640 N PRO A 667 -2.001 23.676 16.412 1.00 78.83 N ATOM 641 CA PRO A 667 -1.000 24.249 17.317 1.00 72.88 C ATOM 642 C PRO A 667 0.394 23.722 16.983 1.00 67.76 C ATOM 643 O PRO A 667 0.526 22.574 16.549 1.00 69.61 O ATOM 644 CB PRO A 667 -1.466 23.779 18.692 1.00 72.09 C ATOM 645 CG PRO A 667 -2.141 22.484 18.425 1.00 72.59 C ATOM 646 CD PRO A 667 -2.777 22.606 17.069 1.00 76.29 C ATOM 647 N MET A 668 1.410 24.564 17.165 1.00 64.50 N ATOM 648 CA MET A 668 2.797 24.203 16.861 1.00 62.85 C ATOM 649 C MET A 668 3.719 24.639 17.995 1.00 58.88 C ATOM 650 O MET A 668 3.659 25.784 18.423 1.00 59.07 O ATOM 651 CB MET A 668 3.266 24.874 15.565 1.00 65.18 C ATOM 652 CG MET A 668 2.342 24.707 14.371 1.00 67.54 C ATOM 653 SD MET A 668 2.902 25.580 12.894 1.00 71.27 S ATOM 654 CE MET A 668 2.981 27.320 13.280 1.00 71.82 C ATOM 655 H MET A 668 1.211 25.514 17.537 1.00 0.00 H ATOM 656 N VAL A 669 4.587 23.735 18.445 1.00 55.44 N ATOM 657 CA VAL A 669 5.550 24.020 19.504 1.00 52.21 C ATOM 658 C VAL A 669 6.925 24.307 18.877 1.00 50.30 C ATOM 659 O VAL A 669 7.428 23.514 18.091 1.00 47.51 O ATOM 660 CB VAL A 669 5.596 22.848 20.507 1.00 51.15 C ATOM 661 CG1 VAL A 669 6.746 23.005 21.492 1.00 51.19 C ATOM 662 CG2 VAL A 669 4.271 22.754 21.253 1.00 51.65 C ATOM 663 H VAL A 669 4.578 22.784 18.023 1.00 0.00 H ATOM 664 N ILE A 670 7.516 25.453 19.225 1.00 51.24 N ATOM 665 CA ILE A 670 8.771 25.919 18.609 1.00 50.40 C ATOM 666 C ILE A 670 9.929 25.647 19.568 1.00 47.09 C ATOM 667 O ILE A 670 9.939 26.159 20.691 1.00 47.01 O ATOM 668 CB ILE A 670 8.798 27.438 18.281 1.00 50.28 C ATOM 669 CG1 ILE A 670 7.681 27.904 17.330 1.00 52.63 C ATOM 670 CG2 ILE A 670 10.069 27.800 17.514 1.00 49.44 C ATOM 671 CD1 ILE A 670 6.288 27.314 17.339 1.00 54.25 C ATOM 672 H ILE A 670 7.073 26.040 19.960 1.00 0.00 H ATOM 673 N LEU A 671 10.915 24.891 19.098 1.00 44.76 N ATOM 674 CA LEU A 671 12.065 24.473 19.908 1.00 43.76 C ATOM 675 C LEU A 671 13.384 24.822 19.194 1.00 43.78 C ATOM 676 O LEU A 671 13.387 25.039 17.982 1.00 43.07 O ATOM 677 CB LEU A 671 11.995 22.964 20.140 1.00 42.85 C ATOM 678 CG LEU A 671 10.660 22.391 20.637 1.00 43.24 C ATOM 679 CD1 LEU A 671 10.683 20.869 20.600 1.00 42.87 C ATOM 680 CD2 LEU A 671 10.347 22.895 22.033 1.00 43.97 C ATOM 681 H LEU A 671 10.870 24.580 18.107 1.00 0.00 H ATOM 682 N PRO A 672 14.510 24.865 19.934 1.00 43.07 N ATOM 683 CA PRO A 672 15.790 25.114 19.261 1.00 43.18 C ATOM 684 C PRO A 672 16.167 23.984 18.315 1.00 44.24 C ATOM 685 O PRO A 672 15.807 22.833 18.546 1.00 43.59 O ATOM 686 CB PRO A 672 16.804 25.196 20.408 1.00 42.87 C ATOM 687 CG PRO A 672 16.003 25.341 21.657 1.00 43.43 C ATOM 688 CD PRO A 672 14.662 24.734 21.391 1.00 42.98 C ATOM 689 N PHE A 673 16.872 24.335 17.249 1.00 48.17 N ATOM 690 CA PHE A 673 17.347 23.376 16.269 1.00 49.44 C ATOM 691 C PHE A 673 18.569 22.642 16.804 1.00 52.53 C ATOM 692 O PHE A 673 19.505 23.265 17.294 1.00 56.17 O ATOM 693 CB PHE A 673 17.701 24.083 14.962 1.00 49.33 C ATOM 694 CG PHE A 673 17.999 23.147 13.830 1.00 49.08 C ATOM 695 CD1 PHE A 673 16.967 22.574 13.107 1.00 48.26 C ATOM 696 CD2 PHE A 673 19.312 22.846 13.481 1.00 49.22 C ATOM 697 CE1 PHE A 673 17.236 21.711 12.061 1.00 49.31 C ATOM 698 CE2 PHE A 673 19.585 21.989 12.430 1.00 47.91 C ATOM 699 CZ PHE A 673 18.548 21.420 11.722 1.00 49.47 C ATOM 700 H PHE A 673 17.094 25.341 17.109 1.00 0.00 H ATOM 701 N MET A 674 18.554 21.322 16.658 1.00 53.94 N ATOM 702 CA MET A 674 19.600 20.434 17.149 1.00 54.65 C ATOM 703 C MET A 674 20.295 19.833 15.934 1.00 52.84 C ATOM 704 O MET A 674 19.820 18.863 15.364 1.00 53.08 O ATOM 705 CB MET A 674 18.963 19.338 18.013 1.00 55.90 C ATOM 706 CG MET A 674 18.169 19.861 19.207 1.00 55.90 C ATOM 707 SD MET A 674 19.246 20.373 20.568 1.00 58.16 S ATOM 708 CE MET A 674 18.214 21.509 21.513 1.00 58.45 C ATOM 709 H MET A 674 17.745 20.895 16.162 1.00 0.00 H ATOM 710 N LYS A 675 21.396 20.447 15.516 1.00 52.09 N ATOM 711 CA LYS A 675 22.124 20.059 14.301 1.00 54.52 C ATOM 712 C LYS A 675 22.370 18.561 14.128 1.00 51.08 C ATOM 713 O LYS A 675 22.187 18.006 13.037 1.00 50.43 O ATOM 714 CB LYS A 675 23.462 20.838 14.261 1.00 57.90 C ATOM 715 CG LYS A 675 24.537 20.290 13.338 1.00 61.55 C ATOM 716 CD LYS A 675 25.447 21.406 12.853 1.00 66.16 C ATOM 717 CE LYS A 675 26.787 20.866 12.394 1.00 70.17 C ATOM 718 NZ LYS A 675 27.698 21.951 11.934 1.00 74.02 N ATOM 719 HZ1 LYS A 675 27.260 22.455 11.137 1.00 0.00 H ATOM 720 HZ2 LYS A 675 27.866 22.616 12.716 1.00 0.00 H ATOM 721 HZ3 LYS A 675 28.602 21.537 11.629 1.00 0.00 H ATOM 722 H LYS A 675 21.761 21.243 16.077 1.00 0.00 H ATOM 723 N TYR A 676 22.774 17.918 15.212 1.00 50.87 N ATOM 724 CA TYR A 676 23.133 16.503 15.193 1.00 49.45 C ATOM 725 C TYR A 676 21.983 15.538 15.497 1.00 45.03 C ATOM 726 O TYR A 676 22.213 14.347 15.542 1.00 51.57 O ATOM 727 CB TYR A 676 24.316 16.284 16.129 1.00 50.82 C ATOM 728 CG TYR A 676 25.535 17.072 15.680 1.00 53.77 C ATOM 729 CD1 TYR A 676 26.148 16.793 14.467 1.00 53.96 C ATOM 730 CD2 TYR A 676 26.063 18.102 16.463 1.00 55.07 C ATOM 731 CE1 TYR A 676 27.246 17.520 14.050 1.00 57.76 C ATOM 732 CE2 TYR A 676 27.173 18.832 16.068 1.00 57.69 C ATOM 733 CZ TYR A 676 27.760 18.527 14.853 1.00 58.86 C ATOM 734 OH TYR A 676 28.853 19.226 14.421 1.00 61.26 O ATOM 735 HH TYR A 676 29.139 18.877 13.540 1.00 0.00 H ATOM 736 H TYR A 676 22.838 18.439 16.110 1.00 0.00 H ATOM 737 N GLY A 677 20.753 16.024 15.674 1.00 42.64 N ATOM 738 CA GLY A 677 19.591 15.148 15.849 1.00 40.98 C ATOM 739 C GLY A 677 19.657 14.387 17.159 1.00 40.34 C ATOM 740 O GLY A 677 20.367 14.788 18.060 1.00 41.52 O ATOM 741 H GLY A 677 20.615 17.055 15.688 1.00 0.00 H ATOM 742 N ASP A 678 18.905 13.294 17.253 1.00 41.01 N ATOM 743 CA ASP A 678 18.822 12.502 18.478 1.00 40.60 C ATOM 744 C ASP A 678 20.089 11.705 18.739 1.00 39.98 C ATOM 745 O ASP A 678 20.776 11.307 17.806 1.00 40.00 O ATOM 746 CB ASP A 678 17.619 11.557 18.442 1.00 41.45 C ATOM 747 CG ASP A 678 17.802 10.402 17.468 1.00 42.76 C ATOM 748 OD1 ASP A 678 17.556 10.582 16.258 1.00 39.98 O ATOM 749 OD2 ASP A 678 18.196 9.311 17.929 1.00 45.11 O ATOM 750 H ASP A 678 18.355 12.992 16.423 1.00 0.00 H ATOM 751 N LEU A 679 20.359 11.448 20.020 1.00 39.34 N ATOM 752 CA LEU A 679 21.583 10.772 20.446 1.00 35.70 C ATOM 753 C LEU A 679 21.647 9.305 19.987 1.00 35.04 C ATOM 754 O LEU A 679 22.717 8.828 19.620 1.00 31.20 O ATOM 755 CB LEU A 679 21.743 10.879 21.964 1.00 33.24 C ATOM 756 CG LEU A 679 23.014 10.301 22.585 1.00 33.39 C ATOM 757 CD1 LEU A 679 24.294 10.902 22.011 1.00 32.97 C ATOM 758 CD2 LEU A 679 22.969 10.484 24.086 1.00 33.21 C ATOM 759 H LEU A 679 19.672 11.740 20.744 1.00 0.00 H ATOM 760 N HIS A 680 20.509 8.614 19.980 1.00 36.10 N ATOM 761 CA HIS A 680 20.454 7.207 19.571 1.00 37.48 C ATOM 762 C HIS A 680 21.022 7.014 18.162 1.00 38.03 C ATOM 763 O HIS A 680 21.974 6.246 17.959 1.00 36.20 O ATOM 764 CB HIS A 680 19.020 6.681 19.648 1.00 37.93 C ATOM 765 CG HIS A 680 18.902 5.211 19.428 1.00 39.59 C ATOM 766 ND1 HIS A 680 19.013 4.298 20.452 1.00 42.21 N ATOM 767 CD2 HIS A 680 18.662 4.494 18.310 1.00 40.37 C ATOM 768 CE1 HIS A 680 18.856 3.080 19.975 1.00 40.26 C ATOM 769 NE2 HIS A 680 18.646 3.172 18.677 1.00 41.68 N ATOM 770 H HIS A 680 19.631 9.087 20.274 1.00 0.00 H ATOM 771 N THR A 681 20.454 7.750 17.212 1.00 38.70 N ATOM 772 CA THR A 681 20.923 7.756 15.828 1.00 39.03 C ATOM 773 C THR A 681 22.401 8.146 15.720 1.00 39.67 C ATOM 774 O THR A 681 23.146 7.546 14.936 1.00 42.28 O ATOM 775 CB THR A 681 20.084 8.712 14.961 1.00 39.94 C ATOM 776 OG1 THR A 681 18.690 8.379 15.070 1.00 39.07 O ATOM 777 CG2 THR A 681 20.496 8.629 13.501 1.00 41.27 C ATOM 778 HG1 THR A 681 18.405 8.461 16.015 1.00 0.00 H ATOM 779 H THR A 681 19.641 8.347 17.465 1.00 0.00 H ATOM 780 N TYR A 682 22.827 9.125 16.514 1.00 36.85 N ATOM 781 CA TYR A 682 24.212 9.574 16.489 1.00 38.40 C ATOM 782 C TYR A 682 25.171 8.453 16.864 1.00 39.26 C ATOM 783 O TYR A 682 26.226 8.290 16.241 1.00 38.14 O ATOM 784 CB TYR A 682 24.410 10.753 17.442 1.00 39.51 C ATOM 785 CG TYR A 682 25.786 11.390 17.364 1.00 40.02 C ATOM 786 CD1 TYR A 682 26.084 12.331 16.378 1.00 41.25 C ATOM 787 CD2 TYR A 682 26.780 11.067 18.292 1.00 39.86 C ATOM 788 CE1 TYR A 682 27.335 12.925 16.309 1.00 42.87 C ATOM 789 CE2 TYR A 682 28.034 11.642 18.228 1.00 41.34 C ATOM 790 CZ TYR A 682 28.307 12.570 17.234 1.00 43.60 C ATOM 791 OH TYR A 682 29.554 13.142 17.174 1.00 47.69 O ATOM 792 HH TYR A 682 29.588 13.777 16.415 1.00 0.00 H ATOM 793 H TYR A 682 22.156 9.579 17.166 1.00 0.00 H ATOM 794 N LEU A 683 24.805 7.695 17.896 1.00 40.58 N ATOM 795 CA LEU A 683 25.613 6.564 18.347 1.00 42.17 C ATOM 796 C LEU A 683 25.716 5.480 17.258 1.00 41.69 C ATOM 797 O LEU A 683 26.795 4.939 17.035 1.00 39.11 O ATOM 798 CB LEU A 683 25.044 5.969 19.639 1.00 42.19 C ATOM 799 CG LEU A 683 25.036 6.860 20.885 1.00 43.41 C ATOM 800 CD1 LEU A 683 24.047 6.306 21.897 1.00 45.58 C ATOM 801 CD2 LEU A 683 26.414 7.009 21.505 1.00 44.35 C ATOM 802 H LEU A 683 23.919 7.914 18.395 1.00 0.00 H ATOM 803 N LEU A 684 24.597 5.185 16.594 1.00 39.87 N ATOM 804 CA LEU A 684 24.579 4.226 15.495 1.00 40.44 C ATOM 805 C LEU A 684 25.540 4.679 14.405 1.00 44.11 C ATOM 806 O LEU A 684 26.438 3.928 14.012 1.00 44.86 O ATOM 807 CB LEU A 684 23.167 4.060 14.918 1.00 39.98 C ATOM 808 CG LEU A 684 22.082 3.476 15.834 1.00 39.97 C ATOM 809 CD1 LEU A 684 20.739 3.405 15.126 1.00 39.49 C ATOM 810 CD2 LEU A 684 22.477 2.106 16.351 1.00 39.49 C ATOM 811 H LEU A 684 23.710 5.653 16.869 1.00 0.00 H ATOM 812 N TYR A 685 25.389 5.925 13.962 1.00 45.37 N ATOM 813 CA TYR A 685 26.278 6.487 12.949 1.00 46.36 C ATOM 814 C TYR A 685 27.755 6.422 13.340 1.00 45.43 C ATOM 815 O TYR A 685 28.606 6.278 12.472 1.00 47.63 O ATOM 816 CB TYR A 685 25.927 7.945 12.644 1.00 50.27 C ATOM 817 CG TYR A 685 24.630 8.224 11.909 1.00 54.16 C ATOM 818 CD1 TYR A 685 23.997 7.257 11.125 1.00 56.09 C ATOM 819 CD2 TYR A 685 24.064 9.509 11.955 1.00 59.17 C ATOM 820 CE1 TYR A 685 22.825 7.547 10.447 1.00 60.76 C ATOM 821 CE2 TYR A 685 22.895 9.809 11.269 1.00 60.56 C ATOM 822 CZ TYR A 685 22.278 8.824 10.519 1.00 62.40 C ATOM 823 OH TYR A 685 21.117 9.102 9.837 1.00 66.49 O ATOM 824 HH TYR A 685 20.815 8.290 9.357 1.00 0.00 H ATOM 825 H TYR A 685 24.621 6.511 14.346 1.00 0.00 H ATOM 826 N SER A 686 28.063 6.544 14.630 1.00 45.78 N ATOM 827 CA SER A 686 29.453 6.463 15.095 1.00 47.55 C ATOM 828 C SER A 686 30.118 5.120 14.780 1.00 49.33 C ATOM 829 O SER A 686 31.342 5.053 14.684 1.00 51.66 O ATOM 830 CB SER A 686 29.565 6.768 16.599 1.00 47.84 C ATOM 831 OG SER A 686 29.146 5.678 17.410 1.00 48.38 O ATOM 832 HG SER A 686 28.200 5.465 17.212 1.00 0.00 H ATOM 833 H SER A 686 27.303 6.700 15.322 1.00 0.00 H ATOM 834 N ARG A 687 29.313 4.063 14.615 1.00 53.17 N ATOM 835 CA ARG A 687 29.814 2.730 14.216 1.00 55.87 C ATOM 836 C ARG A 687 30.006 2.533 12.696 1.00 55.28 C ATOM 837 O ARG A 687 30.248 1.415 12.242 1.00 58.13 O ATOM 838 CB ARG A 687 28.900 1.645 14.793 1.00 54.27 C ATOM 839 CG ARG A 687 28.752 1.779 16.300 1.00 57.61 C ATOM 840 CD ARG A 687 28.504 0.472 17.034 1.00 59.30 C ATOM 841 NE ARG A 687 27.109 0.361 17.469 1.00 61.36 N ATOM 842 CZ ARG A 687 26.296 -0.676 17.253 1.00 66.69 C ATOM 843 NH1 ARG A 687 25.042 -0.623 17.716 1.00 65.23 N ATOM 844 NH2 ARG A 687 26.710 -1.773 16.605 1.00 65.56 N ATOM 845 HE ARG A 687 26.715 1.166 17.996 1.00 0.00 H ATOM 846 HH12 ARG A 687 24.395 -1.421 17.557 1.00 0.00 H ATOM 847 HH11 ARG A 687 24.714 0.217 18.235 1.00 0.00 H ATOM 848 HH22 ARG A 687 26.054 -2.565 16.452 1.00 0.00 H ATOM 849 HH21 ARG A 687 27.688 -1.833 16.255 1.00 0.00 H ATOM 850 H ARG A 687 28.292 4.184 14.774 1.00 0.00 H ATOM 851 N LEU A 688 29.921 3.620 11.930 1.00 57.27 N ATOM 852 CA LEU A 688 30.099 3.613 10.485 1.00 60.30 C ATOM 853 C LEU A 688 31.188 4.606 10.093 1.00 64.55 C ATOM 854 O LEU A 688 31.369 5.618 10.768 1.00 60.91 O ATOM 855 CB LEU A 688 28.777 3.989 9.823 1.00 59.27 C ATOM 856 CG LEU A 688 27.590 3.106 10.239 1.00 58.81 C ATOM 857 CD1 LEU A 688 26.298 3.634 9.634 1.00 62.69 C ATOM 858 CD2 LEU A 688 27.788 1.651 9.849 1.00 58.33 C ATOM 859 H LEU A 688 29.715 4.529 12.392 1.00 0.00 H ATOM 860 N GLU A 689 31.898 4.305 9.003 1.00 72.80 N ATOM 861 CA GLU A 689 33.054 5.107 8.551 1.00 80.79 C ATOM 862 C GLU A 689 32.713 6.551 8.168 1.00 84.82 C ATOM 863 O GLU A 689 33.468 7.460 8.517 1.00 89.47 O ATOM 864 CB GLU A 689 33.784 4.436 7.370 1.00 84.25 C ATOM 865 CG GLU A 689 34.872 3.445 7.772 1.00 85.90 C ATOM 866 CD GLU A 689 36.165 4.110 8.223 1.00 89.14 C ATOM 867 OE1 GLU A 689 36.694 3.709 9.280 1.00 91.31 O ATOM 868 OE2 GLU A 689 36.661 5.027 7.529 1.00 90.15 O ATOM 869 H GLU A 689 31.625 3.469 8.447 1.00 0.00 H ATOM 870 N THR A 690 31.603 6.761 7.453 1.00 87.00 N ATOM 871 CA THR A 690 31.208 8.117 7.004 1.00 88.89 C ATOM 872 C THR A 690 30.580 8.991 8.107 1.00 87.55 C ATOM 873 O THR A 690 30.654 10.220 8.040 1.00 88.76 O ATOM 874 CB THR A 690 30.247 8.080 5.799 1.00 89.58 C ATOM 875 OG1 THR A 690 29.027 7.432 6.169 1.00 87.69 O ATOM 876 CG2 THR A 690 30.886 7.353 4.617 1.00 92.32 C ATOM 877 HG1 THR A 690 28.416 7.412 5.390 1.00 0.00 H ATOM 878 H THR A 690 31.000 5.951 7.205 1.00 0.00 H ATOM 879 N GLY A 691 29.965 8.361 9.106 1.00 87.33 N ATOM 880 CA GLY A 691 29.491 9.065 10.300 1.00 87.49 C ATOM 881 C GLY A 691 30.643 9.427 11.231 1.00 87.14 C ATOM 882 O GLY A 691 31.806 9.176 10.893 1.00 83.75 O ATOM 883 H GLY A 691 29.816 7.334 9.036 1.00 0.00 H ATOM 884 N PRO A 692 30.334 9.997 12.422 1.00 86.76 N ATOM 885 CA PRO A 692 31.382 10.444 13.359 1.00 87.39 C ATOM 886 C PRO A 692 32.412 9.368 13.712 1.00 89.42 C ATOM 887 O PRO A 692 32.139 8.174 13.591 1.00 96.99 O ATOM 888 CB PRO A 692 30.595 10.889 14.607 1.00 85.45 C ATOM 889 CG PRO A 692 29.220 10.353 14.432 1.00 84.94 C ATOM 890 CD PRO A 692 28.986 10.257 12.957 1.00 86.01 C ATOM 891 N LYS A 693 33.589 9.806 14.149 1.00 92.88 N ATOM 892 CA LYS A 693 34.733 8.911 14.376 1.00 93.77 C ATOM 893 C LYS A 693 34.454 7.990 15.571 1.00 88.00 C ATOM 894 O LYS A 693 33.412 8.119 16.224 1.00 85.22 O ATOM 895 CB LYS A 693 36.017 9.751 14.593 1.00 95.01 C ATOM 896 CG LYS A 693 37.347 9.048 14.306 1.00 94.63 C ATOM 897 CD LYS A 693 38.112 8.683 15.578 1.00 93.09 C ATOM 898 CE LYS A 693 39.183 7.629 15.333 1.00 90.54 C ATOM 899 NZ LYS A 693 40.374 8.197 14.647 1.00 90.92 N ATOM 900 HZ1 LYS A 693 40.088 8.591 13.728 1.00 0.00 H ATOM 901 HZ2 LYS A 693 40.785 8.949 15.235 1.00 0.00 H ATOM 902 HZ3 LYS A 693 41.078 7.446 14.500 1.00 0.00 H ATOM 903 H LYS A 693 33.705 10.822 14.338 1.00 0.00 H ATOM 904 N HIS A 694 35.349 7.034 15.825 1.00 86.25 N ATOM 905 CA HIS A 694 35.383 6.340 17.113 1.00 87.92 C ATOM 906 C HIS A 694 35.214 7.369 18.249 1.00 81.37 C ATOM 907 O HIS A 694 36.125 8.154 18.541 1.00 77.63 O ATOM 908 CB HIS A 694 36.685 5.546 17.300 1.00 95.40 C ATOM 909 CG HIS A 694 36.948 5.143 18.722 1.00107.83 C ATOM 910 ND1 HIS A 694 36.161 4.232 19.397 1.00110.03 N ATOM 911 CD2 HIS A 694 37.896 5.546 19.602 1.00114.31 C ATOM 912 CE1 HIS A 694 36.620 4.084 20.628 1.00112.31 C ATOM 913 NE2 HIS A 694 37.672 4.870 20.778 1.00116.72 N ATOM 914 H HIS A 694 36.039 6.776 15.091 1.00 0.00 H ATOM 915 N ILE A 695 34.021 7.366 18.842 1.00 70.80 N ATOM 916 CA ILE A 695 33.718 8.171 20.007 1.00 61.92 C ATOM 917 C ILE A 695 34.452 7.504 21.166 1.00 57.59 C ATOM 918 O ILE A 695 34.156 6.356 21.484 1.00 53.14 O ATOM 919 CB ILE A 695 32.201 8.199 20.290 1.00 61.62 C ATOM 920 CG1 ILE A 695 31.455 8.871 19.133 1.00 63.60 C ATOM 921 CG2 ILE A 695 31.892 8.964 21.570 1.00 62.55 C ATOM 922 CD1 ILE A 695 29.944 8.901 19.283 1.00 64.29 C ATOM 923 H ILE A 695 33.274 6.758 18.451 1.00 0.00 H ATOM 924 N PRO A 696 35.416 8.210 21.796 1.00 55.67 N ATOM 925 CA PRO A 696 36.101 7.592 22.933 1.00 54.87 C ATOM 926 C PRO A 696 35.207 7.536 24.173 1.00 56.20 C ATOM 927 O PRO A 696 34.139 8.161 24.208 1.00 53.94 O ATOM 928 CB PRO A 696 37.299 8.514 23.161 1.00 54.92 C ATOM 929 CG PRO A 696 36.839 9.841 22.690 1.00 55.38 C ATOM 930 CD PRO A 696 35.884 9.590 21.560 1.00 54.47 C ATOM 931 N LEU A 697 35.648 6.785 25.177 1.00 56.87 N ATOM 932 CA LEU A 697 34.898 6.620 26.425 1.00 58.11 C ATOM 933 C LEU A 697 34.562 7.966 27.090 1.00 58.66 C ATOM 934 O LEU A 697 33.461 8.146 27.612 1.00 56.82 O ATOM 935 CB LEU A 697 35.689 5.733 27.398 1.00 60.23 C ATOM 936 CG LEU A 697 35.012 5.352 28.724 1.00 59.44 C ATOM 937 CD1 LEU A 697 33.794 4.470 28.483 1.00 57.17 C ATOM 938 CD2 LEU A 697 36.008 4.674 29.653 1.00 60.18 C ATOM 939 H LEU A 697 36.560 6.296 25.073 1.00 0.00 H ATOM 940 N GLN A 698 35.509 8.902 27.025 1.00 60.50 N ATOM 941 CA GLN A 698 35.367 10.237 27.609 1.00 62.61 C ATOM 942 C GLN A 698 34.137 10.961 27.083 1.00 60.23 C ATOM 943 O GLN A 698 33.374 11.543 27.854 1.00 62.47 O ATOM 944 CB GLN A 698 36.607 11.095 27.326 1.00 69.19 C ATOM 945 CG GLN A 698 37.852 10.723 28.130 1.00 77.72 C ATOM 946 CD GLN A 698 38.652 9.548 27.565 1.00 86.16 C ATOM 947 OE1 GLN A 698 38.227 8.873 26.618 1.00 88.20 O ATOM 948 NE2 GLN A 698 39.820 9.293 28.158 1.00 93.68 N ATOM 949 HE22 GLN A 698 40.141 9.885 28.951 1.00 0.00 H ATOM 950 HE21 GLN A 698 40.410 8.503 27.827 1.00 0.00 H ATOM 951 H GLN A 698 36.396 8.672 26.533 1.00 0.00 H ATOM 952 N THR A 699 33.954 10.923 25.768 1.00 56.16 N ATOM 953 CA THR A 699 32.809 11.567 25.127 1.00 53.51 C ATOM 954 C THR A 699 31.486 10.889 25.501 1.00 51.80 C ATOM 955 O THR A 699 30.458 11.563 25.638 1.00 53.86 O ATOM 956 CB THR A 699 32.987 11.567 23.598 1.00 54.63 C ATOM 957 OG1 THR A 699 34.221 12.209 23.263 1.00 56.88 O ATOM 958 CG2 THR A 699 31.837 12.280 22.887 1.00 54.05 C ATOM 959 HG1 THR A 699 34.335 12.209 22.280 1.00 0.00 H ATOM 960 H THR A 699 34.646 10.420 25.177 1.00 0.00 H ATOM 961 N LEU A 700 31.515 9.562 25.648 1.00 49.47 N ATOM 962 CA LEU A 700 30.332 8.797 26.044 1.00 45.60 C ATOM 963 C LEU A 700 29.896 9.098 27.473 1.00 43.77 C ATOM 964 O LEU A 700 28.704 9.214 27.731 1.00 39.23 O ATOM 965 CB LEU A 700 30.571 7.299 25.885 1.00 45.29 C ATOM 966 CG LEU A 700 30.765 6.766 24.458 1.00 46.23 C ATOM 967 CD1 LEU A 700 31.203 5.308 24.505 1.00 45.62 C ATOM 968 CD2 LEU A 700 29.506 6.905 23.613 1.00 45.58 C ATOM 969 H LEU A 700 32.407 9.056 25.475 1.00 0.00 H ATOM 970 N LEU A 701 30.859 9.199 28.390 1.00 46.16 N ATOM 971 CA LEU A 701 30.573 9.593 29.774 1.00 49.01 C ATOM 972 C LEU A 701 30.016 11.002 29.857 1.00 44.56 C ATOM 973 O LEU A 701 29.089 11.246 30.616 1.00 43.60 O ATOM 974 CB LEU A 701 31.819 9.528 30.652 1.00 53.74 C ATOM 975 CG LEU A 701 32.380 8.150 30.982 1.00 56.80 C ATOM 976 CD1 LEU A 701 33.606 8.328 31.867 1.00 59.45 C ATOM 977 CD2 LEU A 701 31.342 7.277 31.672 1.00 58.68 C ATOM 978 H LEU A 701 31.841 8.993 28.116 1.00 0.00 H ATOM 979 N LYS A 702 30.595 11.911 29.078 1.00 44.86 N ATOM 980 CA LYS A 702 30.134 13.307 29.002 1.00 45.96 C ATOM 981 C LYS A 702 28.664 13.384 28.570 1.00 43.52 C ATOM 982 O LYS A 702 27.907 14.168 29.135 1.00 42.81 O ATOM 983 CB LYS A 702 31.052 14.122 28.075 1.00 48.02 C ATOM 984 CG LYS A 702 30.743 15.609 27.959 1.00 52.16 C ATOM 985 CD LYS A 702 30.612 16.304 29.306 1.00 56.26 C ATOM 986 CE LYS A 702 30.716 17.826 29.195 1.00 60.09 C ATOM 987 NZ LYS A 702 29.961 18.410 28.043 1.00 61.09 N ATOM 988 HZ1 LYS A 702 30.326 18.013 27.154 1.00 0.00 H ATOM 989 HZ2 LYS A 702 28.952 18.179 28.139 1.00 0.00 H ATOM 990 HZ3 LYS A 702 30.082 19.443 28.038 1.00 0.00 H ATOM 991 H LYS A 702 31.409 11.623 28.497 1.00 0.00 H ATOM 992 N PHE A 703 28.251 12.538 27.619 1.00 41.37 N ATOM 993 CA PHE A 703 26.831 12.418 27.269 1.00 38.69 C ATOM 994 C PHE A 703 26.009 11.978 28.462 1.00 37.86 C ATOM 995 O PHE A 703 24.890 12.472 28.670 1.00 37.43 O ATOM 996 CB PHE A 703 26.582 11.409 26.145 1.00 39.86 C ATOM 997 CG PHE A 703 27.203 11.761 24.816 1.00 41.78 C ATOM 998 CD1 PHE A 703 27.387 13.078 24.410 1.00 42.38 C ATOM 999 CD2 PHE A 703 27.550 10.741 23.923 1.00 44.30 C ATOM 1000 CE1 PHE A 703 27.936 13.362 23.175 1.00 42.28 C ATOM 1001 CE2 PHE A 703 28.102 11.029 22.686 1.00 43.41 C ATOM 1002 CZ PHE A 703 28.295 12.343 22.310 1.00 42.87 C ATOM 1003 H PHE A 703 28.950 11.954 27.118 1.00 0.00 H ATOM 1004 N MET A 704 26.551 11.041 29.238 1.00 37.49 N ATOM 1005 CA MET A 704 25.876 10.574 30.449 1.00 38.13 C ATOM 1006 C MET A 704 25.780 11.666 31.515 1.00 36.08 C ATOM 1007 O MET A 704 24.726 11.836 32.134 1.00 34.42 O ATOM 1008 CB MET A 704 26.564 9.340 31.021 1.00 39.92 C ATOM 1009 CG MET A 704 26.442 8.110 30.141 1.00 41.49 C ATOM 1010 SD MET A 704 27.376 6.720 30.794 1.00 42.93 S ATOM 1011 CE MET A 704 27.630 5.754 29.299 1.00 42.86 C ATOM 1012 H MET A 704 27.472 10.633 28.978 1.00 0.00 H ATOM 1013 N VAL A 705 26.867 12.411 31.697 1.00 34.79 N ATOM 1014 CA VAL A 705 26.909 13.518 32.658 1.00 36.01 C ATOM 1015 C VAL A 705 25.901 14.616 32.308 1.00 35.75 C ATOM 1016 O VAL A 705 25.134 15.032 33.159 1.00 35.63 O ATOM 1017 CB VAL A 705 28.326 14.113 32.777 1.00 36.83 C ATOM 1018 CG1 VAL A 705 28.319 15.409 33.591 1.00 37.95 C ATOM 1019 CG2 VAL A 705 29.262 13.104 33.426 1.00 36.07 C ATOM 1020 H VAL A 705 27.718 12.201 31.137 1.00 0.00 H ATOM 1021 N ASP A 706 25.907 15.063 31.055 1.00 36.77 N ATOM 1022 CA ASP A 706 24.919 16.026 30.560 1.00 37.02 C ATOM 1023 C ASP A 706 23.488 15.613 30.892 1.00 36.21 C ATOM 1024 O ASP A 706 22.718 16.409 31.422 1.00 34.48 O ATOM 1025 CB ASP A 706 25.038 16.185 29.043 1.00 39.72 C ATOM 1026 CG ASP A 706 26.288 16.961 28.612 1.00 44.02 C ATOM 1027 OD1 ASP A 706 27.121 17.357 29.466 1.00 47.25 O ATOM 1028 OD2 ASP A 706 26.424 17.190 27.387 1.00 49.44 O ATOM 1029 H ASP A 706 26.639 14.717 30.403 1.00 0.00 H ATOM 1030 N ILE A 707 23.144 14.359 30.598 1.00 35.41 N ATOM 1031 CA ILE A 707 21.783 13.859 30.836 1.00 34.89 C ATOM 1032 C ILE A 707 21.460 13.851 32.333 1.00 33.31 C ATOM 1033 O ILE A 707 20.361 14.232 32.748 1.00 32.39 O ATOM 1034 CB ILE A 707 21.573 12.457 30.213 1.00 34.72 C ATOM 1035 CG1 ILE A 707 21.642 12.563 28.693 1.00 35.03 C ATOM 1036 CG2 ILE A 707 20.214 11.861 30.594 1.00 33.71 C ATOM 1037 CD1 ILE A 707 21.980 11.264 28.014 1.00 36.57 C ATOM 1038 H ILE A 707 23.856 13.720 30.191 1.00 0.00 H ATOM 1039 N ALA A 708 22.428 13.422 33.128 1.00 34.30 N ATOM 1040 CA ALA A 708 22.288 13.415 34.582 1.00 35.47 C ATOM 1041 C ALA A 708 22.059 14.832 35.114 1.00 36.96 C ATOM 1042 O ALA A 708 21.146 15.035 35.920 1.00 38.06 O ATOM 1043 CB ALA A 708 23.511 12.779 35.228 1.00 35.89 C ATOM 1044 H ALA A 708 23.314 13.080 32.705 1.00 0.00 H ATOM 1045 N LEU A 709 22.870 15.795 34.643 1.00 35.92 N ATOM 1046 CA LEU A 709 22.691 17.215 34.973 1.00 35.64 C ATOM 1047 C LEU A 709 21.273 17.684 34.671 1.00 35.03 C ATOM 1048 O LEU A 709 20.611 18.242 35.536 1.00 34.41 O ATOM 1049 CB LEU A 709 23.705 18.098 34.233 1.00 36.53 C ATOM 1050 CG LEU A 709 25.136 18.104 34.787 1.00 36.57 C ATOM 1051 CD1 LEU A 709 26.123 18.660 33.775 1.00 36.35 C ATOM 1052 CD2 LEU A 709 25.206 18.888 36.083 1.00 36.65 C ATOM 1053 H LEU A 709 23.657 15.523 34.019 1.00 0.00 H ATOM 1054 N GLY A 710 20.801 17.415 33.457 1.00 35.44 N ATOM 1055 CA GLY A 710 19.429 17.751 33.062 1.00 36.65 C ATOM 1056 C GLY A 710 18.366 17.114 33.947 1.00 38.55 C ATOM 1057 O GLY A 710 17.428 17.782 34.387 1.00 39.45 O ATOM 1058 H GLY A 710 21.425 16.952 32.766 1.00 0.00 H ATOM 1059 N MET A 711 18.511 15.817 34.205 1.00 38.45 N ATOM 1060 CA MET A 711 17.572 15.111 35.062 1.00 39.32 C ATOM 1061 C MET A 711 17.658 15.554 36.510 1.00 40.95 C ATOM 1062 O MET A 711 16.645 15.515 37.212 1.00 42.26 O ATOM 1063 CB MET A 711 17.782 13.597 34.963 1.00 40.10 C ATOM 1064 CG MET A 711 17.381 13.009 33.621 1.00 39.06 C ATOM 1065 SD MET A 711 15.702 13.428 33.098 1.00 41.56 S ATOM 1066 CE MET A 711 14.743 12.844 34.492 1.00 43.13 C ATOM 1067 H MET A 711 19.310 15.299 33.787 1.00 0.00 H ATOM 1068 N GLU A 712 18.849 15.960 36.958 1.00 40.85 N ATOM 1069 CA GLU A 712 19.022 16.525 38.311 1.00 42.54 C ATOM 1070 C GLU A 712 18.189 17.803 38.470 1.00 42.86 C ATOM 1071 O GLU A 712 17.539 18.013 39.493 1.00 43.15 O ATOM 1072 CB GLU A 712 20.503 16.819 38.599 1.00 43.04 C ATOM 1073 CG GLU A 712 20.790 17.469 39.954 1.00 44.21 C ATOM 1074 CD GLU A 712 22.275 17.672 40.232 1.00 45.45 C ATOM 1075 OE1 GLU A 712 23.089 17.810 39.288 1.00 45.47 O ATOM 1076 OE2 GLU A 712 22.646 17.712 41.419 1.00 47.47 O ATOM 1077 H GLU A 712 19.678 15.876 36.336 1.00 0.00 H ATOM 1078 N TYR A 713 18.231 18.648 37.449 1.00 41.82 N ATOM 1079 CA TYR A 713 17.448 19.868 37.414 1.00 41.98 C ATOM 1080 C TYR A 713 15.951 19.579 37.501 1.00 43.46 C ATOM 1081 O TYR A 713 15.256 20.187 38.319 1.00 42.71 O ATOM 1082 CB TYR A 713 17.786 20.638 36.149 1.00 42.18 C ATOM 1083 CG TYR A 713 17.028 21.914 35.965 1.00 45.81 C ATOM 1084 CD1 TYR A 713 17.443 23.090 36.584 1.00 47.32 C ATOM 1085 CD2 TYR A 713 15.897 21.959 35.157 1.00 45.31 C ATOM 1086 CE1 TYR A 713 16.750 24.273 36.396 1.00 48.76 C ATOM 1087 CE2 TYR A 713 15.198 23.129 34.973 1.00 48.02 C ATOM 1088 CZ TYR A 713 15.627 24.282 35.592 1.00 48.24 C ATOM 1089 OH TYR A 713 14.924 25.440 35.391 1.00 50.52 O ATOM 1090 HH TYR A 713 15.351 26.176 35.897 1.00 0.00 H ATOM 1091 H TYR A 713 18.849 18.427 36.642 1.00 0.00 H ATOM 1092 N LEU A 714 15.459 18.650 36.680 1.00 44.48 N ATOM 1093 CA LEU A 714 14.016 18.353 36.636 1.00 46.13 C ATOM 1094 C LEU A 714 13.490 17.684 37.900 1.00 48.33 C ATOM 1095 O LEU A 714 12.406 18.022 38.382 1.00 46.35 O ATOM 1096 CB LEU A 714 13.677 17.488 35.433 1.00 46.59 C ATOM 1097 CG LEU A 714 13.907 18.125 34.060 1.00 48.52 C ATOM 1098 CD1 LEU A 714 13.791 17.061 32.972 1.00 49.21 C ATOM 1099 CD2 LEU A 714 12.924 19.254 33.801 1.00 48.52 C ATOM 1100 H LEU A 714 16.107 18.125 36.058 1.00 0.00 H ATOM 1101 N SER A 715 14.252 16.723 38.416 1.00 51.79 N ATOM 1102 CA SER A 715 13.908 16.011 39.653 1.00 52.40 C ATOM 1103 C SER A 715 13.875 16.956 40.873 1.00 52.61 C ATOM 1104 O SER A 715 13.024 16.818 41.749 1.00 50.95 O ATOM 1105 CB SER A 715 14.914 14.875 39.879 1.00 51.43 C ATOM 1106 OG SER A 715 14.406 13.881 40.742 1.00 60.61 O ATOM 1107 HG SER A 715 15.085 13.170 40.860 1.00 0.00 H ATOM 1108 H SER A 715 15.130 16.465 37.921 1.00 0.00 H ATOM 1109 N ASN A 716 14.795 17.918 40.909 1.00 54.69 N ATOM 1110 CA ASN A 716 14.785 18.981 41.923 1.00 54.89 C ATOM 1111 C ASN A 716 13.538 19.866 41.895 1.00 58.36 C ATOM 1112 O ASN A 716 13.132 20.384 42.932 1.00 62.07 O ATOM 1113 CB ASN A 716 16.030 19.868 41.795 1.00 53.65 C ATOM 1114 CG ASN A 716 17.281 19.218 42.359 1.00 52.01 C ATOM 1115 OD1 ASN A 716 17.216 18.255 43.112 1.00 52.39 O ATOM 1116 ND2 ASN A 716 18.434 19.769 42.011 1.00 54.36 N ATOM 1117 HD22 ASN A 716 18.447 20.587 41.368 1.00 0.00 H ATOM 1118 HD21 ASN A 716 19.327 19.384 42.380 1.00 0.00 H ATOM 1119 H ASN A 716 15.549 17.917 40.192 1.00 0.00 H ATOM 1120 N ARG A 717 12.945 20.039 40.715 1.00 60.96 N ATOM 1121 CA ARG A 717 11.652 20.723 40.560 1.00 60.10 C ATOM 1122 C ARG A 717 10.479 19.737 40.527 1.00 60.24 C ATOM 1123 O ARG A 717 9.421 20.051 39.987 1.00 57.97 O ATOM 1124 CB ARG A 717 11.684 21.599 39.299 1.00 61.60 C ATOM 1125 CG ARG A 717 12.479 22.874 39.518 1.00 67.28 C ATOM 1126 CD ARG A 717 13.303 23.313 38.320 1.00 70.92 C ATOM 1127 NE ARG A 717 14.321 24.281 38.736 1.00 76.35 N ATOM 1128 CZ ARG A 717 15.442 23.989 39.408 1.00 77.28 C ATOM 1129 NH1 ARG A 717 15.742 22.735 39.761 1.00 79.87 N ATOM 1130 NH2 ARG A 717 16.284 24.970 39.734 1.00 75.44 N ATOM 1131 HE ARG A 717 14.160 25.278 38.489 1.00 0.00 H ATOM 1132 HH12 ARG A 717 16.620 22.537 40.283 1.00 0.00 H ATOM 1133 HH11 ARG A 717 15.098 21.957 39.514 1.00 0.00 H ATOM 1134 HH22 ARG A 717 17.157 24.754 40.256 1.00 0.00 H ATOM 1135 HH21 ARG A 717 16.068 25.951 39.466 1.00 0.00 H ATOM 1136 H ARG A 717 13.418 19.674 39.864 1.00 0.00 H ATOM 1137 N ASN A 718 10.678 18.555 41.123 1.00 63.40 N ATOM 1138 CA ASN A 718 9.678 17.481 41.213 1.00 65.55 C ATOM 1139 C ASN A 718 8.918 17.164 39.918 1.00 65.10 C ATOM 1140 O ASN A 718 7.738 16.790 39.945 1.00 60.33 O ATOM 1141 CB ASN A 718 8.725 17.765 42.379 1.00 67.86 C ATOM 1142 CG ASN A 718 9.451 17.813 43.718 1.00 70.12 C ATOM 1143 OD1 ASN A 718 10.032 16.821 44.154 1.00 71.44 O ATOM 1144 ND2 ASN A 718 9.427 18.967 44.372 1.00 75.45 N ATOM 1145 HD22 ASN A 718 8.924 19.783 43.969 1.00 0.00 H ATOM 1146 HD21 ASN A 718 9.911 19.056 45.288 1.00 0.00 H ATOM 1147 H ASN A 718 11.609 18.384 41.554 1.00 0.00 H ATOM 1148 N PHE A 719 9.629 17.279 38.795 1.00 65.25 N ATOM 1149 CA PHE A 719 9.060 17.036 37.485 1.00 69.48 C ATOM 1150 C PHE A 719 9.502 15.664 36.987 1.00 65.32 C ATOM 1151 O PHE A 719 10.696 15.405 36.860 1.00 65.90 O ATOM 1152 CB PHE A 719 9.498 18.123 36.505 1.00 74.65 C ATOM 1153 CG PHE A 719 8.632 18.205 35.283 1.00 81.63 C ATOM 1154 CD1 PHE A 719 7.490 19.016 35.275 1.00 84.45 C ATOM 1155 CD2 PHE A 719 8.941 17.467 34.139 1.00 83.45 C ATOM 1156 CE1 PHE A 719 6.684 19.101 34.144 1.00 86.52 C ATOM 1157 CE2 PHE A 719 8.136 17.546 33.007 1.00 85.75 C ATOM 1158 CZ PHE A 719 7.007 18.365 33.009 1.00 89.47 C ATOM 1159 H PHE A 719 10.630 17.554 38.863 1.00 0.00 H ATOM 1160 N LEU A 720 8.531 14.796 36.714 1.00 63.54 N ATOM 1161 CA LEU A 720 8.780 13.456 36.163 1.00 62.25 C ATOM 1162 C LEU A 720 8.813 13.507 34.627 1.00 59.47 C ATOM 1163 O LEU A 720 8.005 14.201 34.014 1.00 63.83 O ATOM 1164 CB LEU A 720 7.704 12.474 36.649 1.00 62.20 C ATOM 1165 CG LEU A 720 7.896 11.834 38.033 1.00 63.45 C ATOM 1166 CD1 LEU A 720 8.512 12.771 39.065 1.00 65.20 C ATOM 1167 CD2 LEU A 720 6.576 11.282 38.557 1.00 63.87 C ATOM 1168 H LEU A 720 7.548 15.079 36.900 1.00 0.00 H ATOM 1169 N HIS A 721 9.757 12.782 34.028 1.00 55.05 N ATOM 1170 CA HIS A 721 9.952 12.737 32.568 1.00 51.50 C ATOM 1171 C HIS A 721 9.026 11.697 31.943 1.00 51.66 C ATOM 1172 O HIS A 721 8.343 11.985 30.971 1.00 49.35 O ATOM 1173 CB HIS A 721 11.418 12.399 32.242 1.00 48.57 C ATOM 1174 CG HIS A 721 11.805 12.594 30.800 1.00 47.27 C ATOM 1175 ND1 HIS A 721 11.089 12.077 29.740 1.00 46.01 N ATOM 1176 CD2 HIS A 721 12.878 13.211 30.252 1.00 44.50 C ATOM 1177 CE1 HIS A 721 11.684 12.396 28.605 1.00 43.19 C ATOM 1178 NE2 HIS A 721 12.774 13.080 28.888 1.00 42.78 N ATOM 1179 H HIS A 721 10.393 12.215 34.625 1.00 0.00 H ATOM 1180 N ARG A 722 9.073 10.476 32.475 1.00 55.47 N ATOM 1181 CA ARG A 722 8.219 9.351 32.060 1.00 57.72 C ATOM 1182 C ARG A 722 8.491 8.726 30.679 1.00 56.39 C ATOM 1183 O ARG A 722 7.743 7.855 30.243 1.00 62.81 O ATOM 1184 CB ARG A 722 6.729 9.693 32.223 1.00 61.86 C ATOM 1185 CG ARG A 722 6.279 9.798 33.680 1.00 66.51 C ATOM 1186 CD ARG A 722 6.214 8.378 34.277 1.00 71.71 C ATOM 1187 NE ARG A 722 5.863 8.208 35.706 1.00 74.95 N ATOM 1188 CZ ARG A 722 5.934 7.041 36.363 1.00 70.58 C ATOM 1189 NH1 ARG A 722 6.392 5.941 35.761 1.00 68.45 N ATOM 1190 NH2 ARG A 722 5.560 6.968 37.640 1.00 67.41 N ATOM 1191 HE ARG A 722 5.542 9.045 36.232 1.00 0.00 H ATOM 1192 HH12 ARG A 722 6.441 5.044 36.285 1.00 0.00 H ATOM 1193 HH11 ARG A 722 6.700 5.981 34.769 1.00 0.00 H ATOM 1194 HH22 ARG A 722 5.616 6.062 38.147 1.00 0.00 H ATOM 1195 HH21 ARG A 722 5.212 7.817 38.129 1.00 0.00 H ATOM 1196 H ARG A 722 9.761 10.306 33.236 1.00 0.00 H ATOM 1197 N ASP A 723 9.588 9.099 30.030 1.00 52.02 N ATOM 1198 CA ASP A 723 9.911 8.582 28.694 1.00 48.80 C ATOM 1199 C ASP A 723 11.381 8.825 28.334 1.00 44.51 C ATOM 1200 O ASP A 723 11.715 9.156 27.197 1.00 42.48 O ATOM 1201 CB ASP A 723 8.971 9.196 27.634 1.00 52.79 C ATOM 1202 CG ASP A 723 8.963 8.418 26.309 1.00 56.11 C ATOM 1203 OD1 ASP A 723 9.215 7.193 26.293 1.00 57.57 O ATOM 1204 OD2 ASP A 723 8.700 9.050 25.269 1.00 61.82 O ATOM 1205 H ASP A 723 10.236 9.776 30.480 1.00 0.00 H ATOM 1206 N LEU A 724 12.265 8.619 29.299 1.00 42.40 N ATOM 1207 CA LEU A 724 13.668 8.915 29.109 1.00 43.79 C ATOM 1208 C LEU A 724 14.333 7.754 28.362 1.00 43.95 C ATOM 1209 O LEU A 724 14.225 6.597 28.764 1.00 44.20 O ATOM 1210 CB LEU A 724 14.343 9.166 30.463 1.00 45.59 C ATOM 1211 CG LEU A 724 15.846 9.477 30.472 1.00 47.25 C ATOM 1212 CD1 LEU A 724 16.207 10.699 29.626 1.00 45.11 C ATOM 1213 CD2 LEU A 724 16.314 9.657 31.902 1.00 47.32 C ATOM 1214 H LEU A 724 11.944 8.237 30.211 1.00 0.00 H ATOM 1215 N ALA A 725 14.992 8.081 27.256 1.00 41.54 N ATOM 1216 CA ALA A 725 15.705 7.113 26.436 1.00 39.63 C ATOM 1217 C ALA A 725 16.670 7.898 25.556 1.00 37.51 C ATOM 1218 O ALA A 725 16.493 9.099 25.369 1.00 35.98 O ATOM 1219 CB ALA A 725 14.724 6.316 25.593 1.00 38.76 C ATOM 1220 H ALA A 725 14.999 9.078 26.961 1.00 0.00 H ATOM 1221 N ALA A 726 17.679 7.233 25.007 1.00 37.01 N ATOM 1222 CA ALA A 726 18.652 7.913 24.149 1.00 37.34 C ATOM 1223 C ALA A 726 18.022 8.585 22.921 1.00 38.76 C ATOM 1224 O ALA A 726 18.544 9.591 22.444 1.00 38.63 O ATOM 1225 CB ALA A 726 19.764 6.968 23.722 1.00 36.75 C ATOM 1226 H ALA A 726 17.780 6.214 25.189 1.00 0.00 H ATOM 1227 N ARG A 727 16.907 8.047 22.421 1.00 41.58 N ATOM 1228 CA ARG A 727 16.220 8.666 21.276 1.00 43.96 C ATOM 1229 C ARG A 727 15.525 9.997 21.637 1.00 43.18 C ATOM 1230 O ARG A 727 15.270 10.802 20.747 1.00 41.40 O ATOM 1231 CB ARG A 727 15.333 7.687 20.490 1.00 45.36 C ATOM 1232 CG ARG A 727 13.828 7.863 20.486 1.00 50.05 C ATOM 1233 CD ARG A 727 13.144 7.653 21.837 1.00 52.86 C ATOM 1234 NE ARG A 727 13.078 6.236 22.174 1.00 59.48 N ATOM 1235 CZ ARG A 727 12.178 5.669 22.984 1.00 63.44 C ATOM 1236 NH1 ARG A 727 11.191 6.374 23.547 1.00 64.21 N ATOM 1237 NH2 ARG A 727 12.266 4.366 23.228 1.00 61.32 N ATOM 1238 HE ARG A 727 13.793 5.612 21.747 1.00 0.00 H ATOM 1239 HH12 ARG A 727 10.507 5.903 24.173 1.00 0.00 H ATOM 1240 HH11 ARG A 727 11.108 7.394 23.359 1.00 0.00 H ATOM 1241 HH22 ARG A 727 11.575 3.907 23.855 1.00 0.00 H ATOM 1242 HH21 ARG A 727 13.026 3.805 22.792 1.00 0.00 H ATOM 1243 H ARG A 727 16.519 7.180 22.846 1.00 0.00 H ATOM 1244 N ASN A 728 15.261 10.216 22.930 1.00 42.14 N ATOM 1245 CA ASN A 728 14.716 11.478 23.439 1.00 43.65 C ATOM 1246 C ASN A 728 15.754 12.462 23.987 1.00 41.77 C ATOM 1247 O ASN A 728 15.394 13.492 24.566 1.00 44.55 O ATOM 1248 CB ASN A 728 13.644 11.192 24.497 1.00 46.08 C ATOM 1249 CG ASN A 728 12.413 10.539 23.906 1.00 48.27 C ATOM 1250 OD1 ASN A 728 12.144 10.660 22.713 1.00 50.39 O ATOM 1251 ND2 ASN A 728 11.656 9.850 24.737 1.00 52.72 N ATOM 1252 HD22 ASN A 728 11.921 9.773 25.740 1.00 0.00 H ATOM 1253 HD21 ASN A 728 10.794 9.383 24.390 1.00 0.00 H ATOM 1254 H ASN A 728 15.452 9.452 23.609 1.00 0.00 H ATOM 1255 N CYS A 729 17.033 12.153 23.790 1.00 39.74 N ATOM 1256 CA CYS A 729 18.127 13.050 24.141 1.00 38.83 C ATOM 1257 C CYS A 729 18.677 13.655 22.848 1.00 37.70 C ATOM 1258 O CYS A 729 19.105 12.924 21.952 1.00 35.56 O ATOM 1259 CB CYS A 729 19.211 12.287 24.897 1.00 37.57 C ATOM 1260 SG CYS A 729 18.637 11.658 26.495 1.00 38.31 S ATOM 1261 H CYS A 729 17.262 11.231 23.367 1.00 0.00 H ATOM 1262 N MET A 730 18.639 14.982 22.749 1.00 38.28 N ATOM 1263 CA MET A 730 19.055 15.699 21.523 1.00 42.05 C ATOM 1264 C MET A 730 20.447 16.324 21.670 1.00 40.95 C ATOM 1265 O MET A 730 20.853 16.682 22.770 1.00 44.18 O ATOM 1266 CB MET A 730 18.027 16.779 21.165 1.00 42.59 C ATOM 1267 CG MET A 730 16.599 16.276 20.979 1.00 44.01 C ATOM 1268 SD MET A 730 16.346 15.014 19.715 1.00 46.49 S ATOM 1269 CE MET A 730 16.911 15.869 18.254 1.00 48.34 C ATOM 1270 H MET A 730 18.305 15.535 23.564 1.00 0.00 H ATOM 1271 N LEU A 731 21.170 16.423 20.560 1.00 42.73 N ATOM 1272 CA LEU A 731 22.531 16.966 20.536 1.00 47.88 C ATOM 1273 C LEU A 731 22.589 18.369 19.978 1.00 52.04 C ATOM 1274 O LEU A 731 22.219 18.582 18.824 1.00 51.27 O ATOM 1275 CB LEU A 731 23.431 16.133 19.634 1.00 47.40 C ATOM 1276 CG LEU A 731 24.139 14.922 20.193 1.00 46.48 C ATOM 1277 CD1 LEU A 731 24.786 14.182 19.039 1.00 48.34 C ATOM 1278 CD2 LEU A 731 25.192 15.313 21.209 1.00 46.19 C ATOM 1279 H LEU A 731 20.750 16.100 19.665 1.00 0.00 H ATOM 1280 N ARG A 732 23.119 19.296 20.772 1.00 59.32 N ATOM 1281 CA ARG A 732 23.318 20.681 20.336 1.00 61.53 C ATOM 1282 C ARG A 732 24.494 20.758 19.388 1.00 60.02 C ATOM 1283 O ARG A 732 25.298 19.830 19.324 1.00 51.68 O ATOM 1284 CB ARG A 732 23.584 21.601 21.531 1.00 68.85 C ATOM 1285 CG ARG A 732 22.336 22.141 22.174 1.00 78.84 C ATOM 1286 CD ARG A 732 22.648 23.035 23.368 1.00 87.35 C ATOM 1287 NE ARG A 732 21.443 23.248 24.178 1.00 96.80 N ATOM 1288 CZ ARG A 732 21.360 24.033 25.251 1.00 98.47 C ATOM 1289 NH1 ARG A 732 22.422 24.706 25.694 1.00 99.13 N ATOM 1290 NH2 ARG A 732 20.199 24.129 25.904 1.00 99.52 N ATOM 1291 HE ARG A 732 20.581 22.743 23.890 1.00 0.00 H ATOM 1292 HH12 ARG A 732 22.339 25.314 26.533 1.00 0.00 H ATOM 1293 HH11 ARG A 732 23.333 24.623 25.200 1.00 0.00 H ATOM 1294 HH22 ARG A 732 20.123 24.739 26.743 1.00 0.00 H ATOM 1295 HH21 ARG A 732 19.371 23.594 25.574 1.00 0.00 H ATOM 1296 H ARG A 732 23.402 19.028 21.736 1.00 0.00 H ATOM 1297 N ASP A 733 24.623 21.900 18.715 1.00 62.25 N ATOM 1298 CA ASP A 733 25.730 22.147 17.773 1.00 61.54 C ATOM 1299 C ASP A 733 27.108 22.216 18.468 1.00 61.84 C ATOM 1300 O ASP A 733 28.117 21.893 17.845 1.00 63.68 O ATOM 1301 CB ASP A 733 25.469 23.374 16.863 1.00 63.85 C ATOM 1302 CG ASP A 733 25.100 24.637 17.631 1.00 64.09 C ATOM 1303 OD1 ASP A 733 24.932 24.596 18.874 1.00 63.26 O ATOM 1304 OD2 ASP A 733 24.949 25.680 16.964 1.00 67.37 O ATOM 1305 H ASP A 733 23.915 22.647 18.860 1.00 0.00 H ATOM 1306 N ASP A 734 27.144 22.581 19.755 1.00 60.46 N ATOM 1307 CA ASP A 734 28.362 22.413 20.586 1.00 62.14 C ATOM 1308 C ASP A 734 28.605 20.972 21.081 1.00 60.83 C ATOM 1309 O ASP A 734 29.540 20.734 21.842 1.00 59.17 O ATOM 1310 CB ASP A 734 28.349 23.377 21.792 1.00 65.09 C ATOM 1311 CG ASP A 734 27.167 23.161 22.726 1.00 63.52 C ATOM 1312 OD1 ASP A 734 26.428 22.166 22.553 1.00 66.25 O ATOM 1313 OD2 ASP A 734 26.984 23.993 23.638 1.00 59.42 O ATOM 1314 H ASP A 734 26.293 22.995 20.186 1.00 0.00 H ATOM 1315 N MET A 735 27.754 20.035 20.650 1.00 60.69 N ATOM 1316 CA MET A 735 27.775 18.626 21.046 1.00 60.29 C ATOM 1317 C MET A 735 27.486 18.326 22.523 1.00 60.13 C ATOM 1318 O MET A 735 27.792 17.236 22.999 1.00 60.13 O ATOM 1319 CB MET A 735 29.057 17.937 20.562 1.00 63.20 C ATOM 1320 CG MET A 735 28.982 17.555 19.099 1.00 67.07 C ATOM 1321 SD MET A 735 30.341 16.494 18.636 1.00 77.41 S ATOM 1322 CE MET A 735 29.991 15.001 19.563 1.00 77.40 C ATOM 1323 H MET A 735 27.017 20.331 19.979 1.00 0.00 H ATOM 1324 N THR A 736 26.851 19.265 23.224 1.00 55.85 N ATOM 1325 CA THR A 736 26.288 18.982 24.528 1.00 52.51 C ATOM 1326 C THR A 736 24.900 18.383 24.326 1.00 48.42 C ATOM 1327 O THR A 736 24.180 18.756 23.388 1.00 50.33 O ATOM 1328 CB THR A 736 26.205 20.241 25.408 1.00 56.02 C ATOM 1329 OG1 THR A 736 25.282 21.185 24.835 1.00 53.70 O ATOM 1330 CG2 THR A 736 27.587 20.888 25.539 1.00 57.48 C ATOM 1331 HG1 THR A 736 25.592 21.440 23.930 1.00 0.00 H ATOM 1332 H THR A 736 26.758 20.221 22.826 1.00 0.00 H ATOM 1333 N VAL A 737 24.543 17.436 25.190 1.00 42.97 N ATOM 1334 CA VAL A 737 23.259 16.748 25.113 1.00 40.22 C ATOM 1335 C VAL A 737 22.236 17.466 25.982 1.00 39.06 C ATOM 1336 O VAL A 737 22.565 17.913 27.073 1.00 40.66 O ATOM 1337 CB VAL A 737 23.383 15.261 25.566 1.00 38.15 C ATOM 1338 CG1 VAL A 737 22.016 14.580 25.649 1.00 35.58 C ATOM 1339 CG2 VAL A 737 24.295 14.498 24.616 1.00 37.80 C ATOM 1340 H VAL A 737 25.205 17.176 25.949 1.00 0.00 H ATOM 1341 N CYS A 738 20.998 17.537 25.514 1.00 39.52 N ATOM 1342 CA CYS A 738 19.894 17.903 26.377 1.00 44.22 C ATOM 1343 C CYS A 738 18.759 16.905 26.300 1.00 44.93 C ATOM 1344 O CYS A 738 18.605 16.166 25.330 1.00 45.95 O ATOM 1345 CB CYS A 738 19.347 19.289 26.064 1.00 46.66 C ATOM 1346 SG CYS A 738 18.561 19.461 24.458 1.00 53.29 S ATOM 1347 H CYS A 738 20.817 17.327 24.512 1.00 0.00 H ATOM 1348 N VAL A 739 17.971 16.922 27.362 1.00 43.99 N ATOM 1349 CA VAL A 739 16.818 16.080 27.524 1.00 43.96 C ATOM 1350 C VAL A 739 15.562 16.729 26.913 1.00 43.98 C ATOM 1351 O VAL A 739 15.340 17.918 27.070 1.00 43.44 O ATOM 1352 CB VAL A 739 16.685 15.770 29.023 1.00 42.68 C ATOM 1353 CG1 VAL A 739 15.292 15.293 29.373 1.00 43.54 C ATOM 1354 CG2 VAL A 739 17.728 14.738 29.394 1.00 42.60 C ATOM 1355 H VAL A 739 18.200 17.587 28.128 1.00 0.00 H ATOM 1356 N ALA A 740 14.751 15.921 26.227 1.00 43.49 N ATOM 1357 CA ALA A 740 13.565 16.397 25.513 1.00 43.83 C ATOM 1358 C ALA A 740 12.400 15.416 25.651 1.00 46.13 C ATOM 1359 O ALA A 740 12.541 14.369 26.277 1.00 53.71 O ATOM 1360 CB ALA A 740 13.909 16.604 24.052 1.00 40.47 C ATOM 1361 H ALA A 740 14.972 14.905 26.198 1.00 0.00 H ATOM 1362 N ASP A 741 11.253 15.787 25.096 1.00 48.89 N ATOM 1363 CA ASP A 741 10.089 14.908 24.954 1.00 57.47 C ATOM 1364 C ASP A 741 9.354 14.602 26.258 1.00 60.29 C ATOM 1365 O ASP A 741 9.058 13.443 26.567 1.00 64.24 O ATOM 1366 CB ASP A 741 10.479 13.621 24.210 1.00 61.28 C ATOM 1367 CG ASP A 741 9.303 12.968 23.501 1.00 63.62 C ATOM 1368 OD1 ASP A 741 8.109 13.180 23.852 1.00 62.51 O ATOM 1369 OD2 ASP A 741 9.604 12.192 22.591 1.00 68.65 O ATOM 1370 H ASP A 741 11.175 16.761 24.740 1.00 0.00 H ATOM 1371 N PHE A 742 8.986 15.670 26.956 1.00 65.15 N ATOM 1372 CA PHE A 742 8.280 15.595 28.241 1.00 68.33 C ATOM 1373 C PHE A 742 7.017 16.459 28.201 1.00 67.01 C ATOM 1374 O PHE A 742 6.015 16.083 27.584 1.00 66.38 O ATOM 1375 CB PHE A 742 9.198 16.008 29.405 1.00 70.14 C ATOM 1376 CG PHE A 742 10.165 17.122 29.067 1.00 71.95 C ATOM 1377 CD1 PHE A 742 9.704 18.391 28.716 1.00 75.62 C ATOM 1378 CD2 PHE A 742 11.543 16.903 29.095 1.00 70.43 C ATOM 1379 CE1 PHE A 742 10.595 19.411 28.401 1.00 78.80 C ATOM 1380 CE2 PHE A 742 12.434 17.920 28.774 1.00 73.24 C ATOM 1381 CZ PHE A 742 11.961 19.177 28.429 1.00 78.01 C ATOM 1382 H PHE A 742 9.210 16.610 26.572 1.00 0.00 H TER 1383 PHE A 742 ATOM 1384 N MET A 762 5.077 4.413 25.545 1.00 88.04 N ATOM 1385 CA MET A 762 5.171 3.474 26.717 1.00 90.47 C ATOM 1386 C MET A 762 6.106 2.278 26.421 1.00 83.19 C ATOM 1387 O MET A 762 5.717 1.119 26.630 1.00 83.78 O ATOM 1388 CB MET A 762 3.756 2.977 27.121 1.00 97.83 C ATOM 1389 CG MET A 762 3.649 2.359 28.518 1.00101.40 C ATOM 1390 SD MET A 762 2.825 0.745 28.601 1.00105.09 S ATOM 1391 CE MET A 762 1.148 1.155 28.114 1.00105.91 C ATOM 1392 HN3 MET A 762 4.702 3.901 24.721 1.00 0.00 H ATOM 1393 HN2 MET A 762 6.023 4.784 25.323 1.00 0.00 H ATOM 1394 HN1 MET A 762 4.441 5.201 25.784 1.00 0.00 H ATOM 1395 N PRO A 763 7.353 2.554 25.958 1.00 73.92 N ATOM 1396 CA PRO A 763 8.236 1.477 25.473 1.00 65.39 C ATOM 1397 C PRO A 763 8.721 0.592 26.619 1.00 60.10 C ATOM 1398 O PRO A 763 9.523 1.025 27.453 1.00 55.89 O ATOM 1399 CB PRO A 763 9.391 2.237 24.820 1.00 66.09 C ATOM 1400 CG PRO A 763 9.466 3.514 25.592 1.00 67.90 C ATOM 1401 CD PRO A 763 8.070 3.842 26.058 1.00 70.43 C ATOM 1402 N VAL A 764 8.233 -0.646 26.640 1.00 57.13 N ATOM 1403 CA VAL A 764 8.290 -1.497 27.836 1.00 54.15 C ATOM 1404 C VAL A 764 9.707 -1.649 28.397 1.00 51.22 C ATOM 1405 O VAL A 764 9.887 -1.674 29.613 1.00 50.54 O ATOM 1406 CB VAL A 764 7.644 -2.884 27.580 1.00 55.79 C ATOM 1407 CG1 VAL A 764 7.884 -3.845 28.749 1.00 56.90 C ATOM 1408 CG2 VAL A 764 6.146 -2.728 27.347 1.00 57.01 C ATOM 1409 H VAL A 764 7.795 -1.025 25.777 1.00 0.00 H ATOM 1410 N LYS A 765 10.702 -1.696 27.519 1.00 48.10 N ATOM 1411 CA LYS A 765 12.087 -1.941 27.935 1.00 48.10 C ATOM 1412 C LYS A 765 12.802 -0.812 28.682 1.00 46.72 C ATOM 1413 O LYS A 765 13.950 -0.996 29.098 1.00 45.06 O ATOM 1414 CB LYS A 765 12.915 -2.406 26.731 1.00 47.34 C ATOM 1415 CG LYS A 765 12.465 -3.776 26.260 1.00 49.16 C ATOM 1416 CD LYS A 765 13.343 -4.325 25.156 1.00 51.05 C ATOM 1417 CE LYS A 765 13.174 -5.832 25.030 1.00 52.96 C ATOM 1418 NZ LYS A 765 14.141 -6.388 24.057 1.00 53.25 N ATOM 1419 HZ1 LYS A 765 13.983 -5.953 23.126 1.00 0.00 H ATOM 1420 HZ2 LYS A 765 15.109 -6.184 24.377 1.00 0.00 H ATOM 1421 HZ3 LYS A 765 14.008 -7.417 23.987 1.00 0.00 H ATOM 1422 H LYS A 765 10.494 -1.555 26.510 1.00 0.00 H ATOM 1423 N TRP A 766 12.141 0.337 28.855 1.00 46.66 N ATOM 1424 CA TRP A 766 12.666 1.422 29.693 1.00 46.47 C ATOM 1425 C TRP A 766 11.875 1.632 30.979 1.00 47.06 C ATOM 1426 O TRP A 766 12.281 2.440 31.815 1.00 46.19 O ATOM 1427 CB TRP A 766 12.746 2.725 28.892 1.00 43.68 C ATOM 1428 CG TRP A 766 13.847 2.714 27.875 1.00 43.02 C ATOM 1429 CD1 TRP A 766 15.073 3.303 27.993 1.00 42.62 C ATOM 1430 CD2 TRP A 766 13.831 2.077 26.588 1.00 41.00 C ATOM 1431 NE1 TRP A 766 15.816 3.088 26.857 1.00 41.41 N ATOM 1432 CE2 TRP A 766 15.082 2.329 25.982 1.00 41.78 C ATOM 1433 CE3 TRP A 766 12.881 1.326 25.887 1.00 41.37 C ATOM 1434 CZ2 TRP A 766 15.412 1.847 24.698 1.00 40.88 C ATOM 1435 CZ3 TRP A 766 13.204 0.851 24.612 1.00 41.27 C ATOM 1436 CH2 TRP A 766 14.462 1.115 24.034 1.00 40.04 C ATOM 1437 HE1 TRP A 766 16.779 3.443 26.688 1.00 0.00 H ATOM 1438 H TRP A 766 11.225 0.466 28.380 1.00 0.00 H ATOM 1439 N ILE A 767 10.790 0.880 31.159 1.00 47.70 N ATOM 1440 CA ILE A 767 9.918 1.030 32.323 1.00 50.04 C ATOM 1441 C ILE A 767 10.434 0.188 33.485 1.00 50.33 C ATOM 1442 O ILE A 767 10.843 -0.944 33.291 1.00 50.31 O ATOM 1443 CB ILE A 767 8.465 0.615 31.990 1.00 52.23 C ATOM 1444 CG1 ILE A 767 7.920 1.475 30.847 1.00 51.55 C ATOM 1445 CG2 ILE A 767 7.559 0.734 33.221 1.00 54.58 C ATOM 1446 CD1 ILE A 767 6.605 0.990 30.289 1.00 53.55 C ATOM 1447 H ILE A 767 10.555 0.160 30.446 1.00 0.00 H ATOM 1448 N ALA A 768 10.400 0.743 34.693 1.00 52.00 N ATOM 1449 CA ALA A 768 10.781 -0.002 35.882 1.00 55.70 C ATOM 1450 C ALA A 768 9.643 -0.945 36.333 1.00 59.33 C ATOM 1451 O ALA A 768 8.471 -0.705 36.036 1.00 60.54 O ATOM 1452 CB ALA A 768 11.172 0.954 36.991 1.00 56.78 C ATOM 1453 H ALA A 768 10.094 1.732 34.789 1.00 0.00 H ATOM 1454 N ILE A 769 10.009 -2.017 37.037 1.00 62.81 N ATOM 1455 CA ILE A 769 9.055 -3.066 37.486 1.00 66.11 C ATOM 1456 C ILE A 769 7.750 -2.569 38.132 1.00 67.23 C ATOM 1457 O ILE A 769 6.668 -3.075 37.814 1.00 66.88 O ATOM 1458 CB ILE A 769 9.710 -4.083 38.464 1.00 70.91 C ATOM 1459 CG1 ILE A 769 10.368 -3.386 39.677 1.00 75.40 C ATOM 1460 CG2 ILE A 769 10.704 -4.983 37.740 1.00 71.32 C ATOM 1461 CD1 ILE A 769 9.533 -3.402 40.949 1.00 79.83 C ATOM 1462 H ILE A 769 11.013 -2.125 37.285 1.00 0.00 H ATOM 1463 N GLU A 770 7.859 -1.573 39.013 1.00 65.37 N ATOM 1464 CA GLU A 770 6.731 -1.111 39.840 1.00 64.40 C ATOM 1465 C GLU A 770 5.640 -0.388 39.037 1.00 63.10 C ATOM 1466 O GLU A 770 5.756 -0.205 37.817 1.00 66.01 O ATOM 1467 CB GLU A 770 7.228 -0.238 41.020 1.00 64.62 C ATOM 1468 CG GLU A 770 7.867 1.131 40.684 1.00 64.27 C ATOM 1469 CD GLU A 770 9.376 1.103 40.367 1.00 62.16 C ATOM 1470 OE1 GLU A 770 9.985 0.009 40.291 1.00 61.82 O ATOM 1471 OE2 GLU A 770 9.963 2.194 40.177 1.00 58.23 O ATOM 1472 H GLU A 770 8.780 -1.102 39.120 1.00 0.00 H TER 1473 GLU A 770 ATOM 1474 N THR A 778 7.296 7.455 39.912 1.00 57.31 N ATOM 1475 CA THR A 778 8.153 8.351 40.739 1.00 58.03 C ATOM 1476 C THR A 778 9.399 8.780 39.971 1.00 57.40 C ATOM 1477 O THR A 778 9.622 8.341 38.836 1.00 60.30 O ATOM 1478 CB THR A 778 8.609 7.662 42.036 1.00 59.29 C ATOM 1479 OG1 THR A 778 9.426 6.527 41.715 1.00 60.95 O ATOM 1480 CG2 THR A 778 7.414 7.215 42.858 1.00 61.99 C ATOM 1481 HG1 THR A 778 9.718 6.085 42.551 1.00 0.00 H ATOM 1482 HN3 THR A 778 7.836 6.605 39.651 1.00 0.00 H ATOM 1483 HN2 THR A 778 7.000 7.958 39.051 1.00 0.00 H ATOM 1484 HN1 THR A 778 6.456 7.179 40.459 1.00 0.00 H ATOM 1485 N SER A 779 10.220 9.624 40.588 1.00 55.22 N ATOM 1486 CA SER A 779 11.497 9.995 39.989 1.00 54.93 C ATOM 1487 C SER A 779 12.472 8.818 39.951 1.00 52.08 C ATOM 1488 O SER A 779 13.406 8.817 39.154 1.00 48.86 O ATOM 1489 CB SER A 779 12.124 11.184 40.714 1.00 55.85 C ATOM 1490 OG SER A 779 12.558 10.794 41.995 1.00 61.96 O ATOM 1491 HG SER A 779 12.962 11.571 42.456 1.00 0.00 H ATOM 1492 H SER A 779 9.949 10.024 41.509 1.00 0.00 H ATOM 1493 N LYS A 780 12.262 7.823 40.809 1.00 52.67 N ATOM 1494 CA LYS A 780 13.083 6.600 40.785 1.00 52.18 C ATOM 1495 C LYS A 780 12.770 5.670 39.601 1.00 48.73 C ATOM 1496 O LYS A 780 13.612 4.867 39.216 1.00 44.59 O ATOM 1497 CB LYS A 780 12.971 5.853 42.114 1.00 54.08 C ATOM 1498 CG LYS A 780 13.455 6.650 43.328 1.00 55.72 C ATOM 1499 CD LYS A 780 14.915 7.079 43.224 1.00 55.01 C ATOM 1500 CE LYS A 780 15.385 7.783 44.483 1.00 56.67 C ATOM 1501 NZ LYS A 780 15.719 6.822 45.566 1.00 58.44 N ATOM 1502 HZ1 LYS A 780 14.876 6.261 45.802 1.00 0.00 H ATOM 1503 HZ2 LYS A 780 16.479 6.189 45.244 1.00 0.00 H ATOM 1504 HZ3 LYS A 780 16.035 7.346 46.407 1.00 0.00 H ATOM 1505 H LYS A 780 11.501 7.911 41.512 1.00 0.00 H ATOM 1506 N SER A 781 11.575 5.798 39.025 1.00 49.52 N ATOM 1507 CA SER A 781 11.270 5.234 37.701 1.00 47.62 C ATOM 1508 C SER A 781 12.118 5.883 36.618 1.00 44.07 C ATOM 1509 O SER A 781 12.656 5.189 35.750 1.00 43.79 O ATOM 1510 CB SER A 781 9.807 5.451 37.360 1.00 48.48 C ATOM 1511 OG SER A 781 9.005 5.146 38.479 1.00 54.08 O ATOM 1512 HG SER A 781 8.053 5.290 38.250 1.00 0.00 H ATOM 1513 H SER A 781 10.829 6.317 39.531 1.00 0.00 H ATOM 1514 N ASP A 782 12.223 7.212 36.669 1.00 41.51 N ATOM 1515 CA ASP A 782 13.118 7.960 35.773 1.00 40.50 C ATOM 1516 C ASP A 782 14.581 7.529 35.926 1.00 38.45 C ATOM 1517 O ASP A 782 15.317 7.480 34.944 1.00 35.00 O ATOM 1518 CB ASP A 782 13.019 9.479 36.013 1.00 41.35 C ATOM 1519 CG ASP A 782 11.808 10.121 35.356 1.00 42.26 C ATOM 1520 OD1 ASP A 782 11.202 9.542 34.428 1.00 42.74 O ATOM 1521 OD2 ASP A 782 11.480 11.259 35.756 1.00 42.71 O ATOM 1522 H ASP A 782 11.654 7.736 37.364 1.00 0.00 H ATOM 1523 N VAL A 783 14.998 7.253 37.161 1.00 39.11 N ATOM 1524 CA VAL A 783 16.369 6.799 37.434 1.00 40.50 C ATOM 1525 C VAL A 783 16.650 5.466 36.726 1.00 41.67 C ATOM 1526 O VAL A 783 17.729 5.306 36.145 1.00 41.83 O ATOM 1527 CB VAL A 783 16.661 6.711 38.949 1.00 41.26 C ATOM 1528 CG1 VAL A 783 17.987 6.004 39.225 1.00 41.60 C ATOM 1529 CG2 VAL A 783 16.687 8.108 39.566 1.00 42.07 C ATOM 1530 H VAL A 783 14.334 7.362 37.954 1.00 0.00 H ATOM 1531 N TRP A 784 15.674 4.549 36.762 1.00 39.38 N ATOM 1532 CA TRP A 784 15.755 3.267 36.064 1.00 40.01 C ATOM 1533 C TRP A 784 15.999 3.502 34.586 1.00 35.99 C ATOM 1534 O TRP A 784 16.958 2.969 34.016 1.00 33.98 O ATOM 1535 CB TRP A 784 14.462 2.449 36.286 1.00 43.73 C ATOM 1536 CG TRP A 784 14.407 1.069 35.626 1.00 45.05 C ATOM 1537 CD1 TRP A 784 14.304 0.795 34.287 1.00 46.28 C ATOM 1538 CD2 TRP A 784 14.391 -0.202 36.291 1.00 47.24 C ATOM 1539 NE1 TRP A 784 14.262 -0.564 34.075 1.00 47.20 N ATOM 1540 CE2 TRP A 784 14.309 -1.202 35.286 1.00 48.08 C ATOM 1541 CE3 TRP A 784 14.447 -0.595 37.634 1.00 46.92 C ATOM 1542 CZ2 TRP A 784 14.288 -2.575 35.586 1.00 47.97 C ATOM 1543 CZ3 TRP A 784 14.435 -1.956 37.937 1.00 49.38 C ATOM 1544 CH2 TRP A 784 14.355 -2.931 36.913 1.00 49.14 C ATOM 1545 HE1 TRP A 784 14.204 -1.030 33.147 1.00 0.00 H ATOM 1546 H TRP A 784 14.817 4.759 37.313 1.00 0.00 H ATOM 1547 N ALA A 785 15.143 4.315 33.978 1.00 33.98 N ATOM 1548 CA ALA A 785 15.272 4.641 32.558 1.00 33.54 C ATOM 1549 C ALA A 785 16.611 5.286 32.204 1.00 34.05 C ATOM 1550 O ALA A 785 17.127 5.047 31.120 1.00 37.40 O ATOM 1551 CB ALA A 785 14.134 5.524 32.110 1.00 34.01 C ATOM 1552 H ALA A 785 14.362 4.730 34.525 1.00 0.00 H ATOM 1553 N PHE A 786 17.163 6.100 33.104 1.00 33.66 N ATOM 1554 CA PHE A 786 18.468 6.721 32.882 1.00 32.87 C ATOM 1555 C PHE A 786 19.578 5.667 32.856 1.00 33.52 C ATOM 1556 O PHE A 786 20.503 5.757 32.050 1.00 34.15 O ATOM 1557 CB PHE A 786 18.755 7.784 33.940 1.00 31.99 C ATOM 1558 CG PHE A 786 20.164 8.311 33.912 1.00 31.27 C ATOM 1559 CD1 PHE A 786 20.583 9.146 32.903 1.00 31.22 C ATOM 1560 CD2 PHE A 786 21.075 7.963 34.896 1.00 32.00 C ATOM 1561 CE1 PHE A 786 21.883 9.638 32.870 1.00 30.58 C ATOM 1562 CE2 PHE A 786 22.380 8.437 34.860 1.00 31.60 C ATOM 1563 CZ PHE A 786 22.783 9.280 33.845 1.00 30.37 C ATOM 1564 H PHE A 786 16.652 6.299 33.988 1.00 0.00 H ATOM 1565 N GLY A 787 19.489 4.677 33.738 1.00 34.57 N ATOM 1566 CA GLY A 787 20.401 3.541 33.705 1.00 33.44 C ATOM 1567 C GLY A 787 20.343 2.802 32.371 1.00 33.31 C ATOM 1568 O GLY A 787 21.378 2.444 31.811 1.00 31.72 O ATOM 1569 H GLY A 787 18.751 4.714 34.469 1.00 0.00 H ATOM 1570 N VAL A 788 19.133 2.591 31.859 1.00 33.90 N ATOM 1571 CA VAL A 788 18.952 1.928 30.563 1.00 35.27 C ATOM 1572 C VAL A 788 19.574 2.802 29.472 1.00 35.39 C ATOM 1573 O VAL A 788 20.259 2.302 28.573 1.00 35.67 O ATOM 1574 CB VAL A 788 17.460 1.663 30.241 1.00 36.00 C ATOM 1575 CG1 VAL A 788 17.310 1.003 28.873 1.00 37.17 C ATOM 1576 CG2 VAL A 788 16.815 0.772 31.303 1.00 37.43 C ATOM 1577 H VAL A 788 18.295 2.904 32.390 1.00 0.00 H ATOM 1578 N THR A 789 19.338 4.110 29.574 1.00 34.01 N ATOM 1579 CA THR A 789 19.896 5.074 28.649 1.00 32.01 C ATOM 1580 C THR A 789 21.431 5.054 28.680 1.00 32.67 C ATOM 1581 O THR A 789 22.060 5.092 27.627 1.00 32.27 O ATOM 1582 CB THR A 789 19.344 6.484 28.935 1.00 32.86 C ATOM 1583 OG1 THR A 789 17.904 6.463 28.889 1.00 31.09 O ATOM 1584 CG2 THR A 789 19.878 7.502 27.914 1.00 32.35 C ATOM 1585 HG1 THR A 789 17.562 5.832 29.571 1.00 0.00 H ATOM 1586 H THR A 789 18.731 4.451 30.346 1.00 0.00 H ATOM 1587 N MET A 790 22.025 4.992 29.874 1.00 34.06 N ATOM 1588 CA MET A 790 23.480 4.850 30.012 1.00 35.91 C ATOM 1589 C MET A 790 23.980 3.604 29.263 1.00 38.27 C ATOM 1590 O MET A 790 25.063 3.626 28.672 1.00 36.15 O ATOM 1591 CB MET A 790 23.895 4.707 31.478 1.00 36.83 C ATOM 1592 CG MET A 790 23.868 5.966 32.313 1.00 37.80 C ATOM 1593 SD MET A 790 24.168 5.573 34.046 1.00 40.20 S ATOM 1594 CE MET A 790 25.869 5.025 33.960 1.00 40.70 C ATOM 1595 H MET A 790 21.440 5.046 30.732 1.00 0.00 H ATOM 1596 N TRP A 791 23.200 2.518 29.342 1.00 40.18 N ATOM 1597 CA TRP A 791 23.511 1.252 28.665 1.00 40.75 C ATOM 1598 C TRP A 791 23.441 1.411 27.151 1.00 38.48 C ATOM 1599 O TRP A 791 24.355 0.969 26.449 1.00 39.22 O ATOM 1600 CB TRP A 791 22.573 0.139 29.158 1.00 42.35 C ATOM 1601 CG TRP A 791 22.913 -1.255 28.675 1.00 44.41 C ATOM 1602 CD1 TRP A 791 23.708 -2.181 29.302 1.00 45.52 C ATOM 1603 CD2 TRP A 791 22.444 -1.877 27.481 1.00 43.45 C ATOM 1604 NE1 TRP A 791 23.763 -3.339 28.565 1.00 44.88 N ATOM 1605 CE2 TRP A 791 22.999 -3.179 27.440 1.00 44.85 C ATOM 1606 CE3 TRP A 791 21.615 -1.458 26.433 1.00 43.40 C ATOM 1607 CZ2 TRP A 791 22.744 -4.071 26.390 1.00 43.64 C ATOM 1608 CZ3 TRP A 791 21.366 -2.342 25.386 1.00 45.65 C ATOM 1609 CH2 TRP A 791 21.927 -3.638 25.377 1.00 44.18 C ATOM 1610 HE1 TRP A 791 24.296 -4.195 28.819 1.00 0.00 H ATOM 1611 H TRP A 791 22.331 2.574 29.911 1.00 0.00 H ATOM 1612 N GLU A 792 22.392 2.076 26.654 1.00 38.64 N ATOM 1613 CA GLU A 792 22.293 2.441 25.208 1.00 37.87 C ATOM 1614 C GLU A 792 23.515 3.188 24.727 1.00 37.83 C ATOM 1615 O GLU A 792 24.000 2.957 23.621 1.00 40.00 O ATOM 1616 CB GLU A 792 21.094 3.334 24.905 1.00 37.70 C ATOM 1617 CG GLU A 792 19.740 2.705 25.121 1.00 39.99 C ATOM 1618 CD GLU A 792 18.628 3.639 24.698 1.00 40.42 C ATOM 1619 OE1 GLU A 792 17.974 4.258 25.573 1.00 40.14 O ATOM 1620 OE2 GLU A 792 18.427 3.770 23.482 1.00 40.72 O ATOM 1621 H GLU A 792 21.620 2.348 27.295 1.00 0.00 H ATOM 1622 N ILE A 793 23.987 4.111 25.553 1.00 38.12 N ATOM 1623 CA ILE A 793 25.170 4.913 25.231 1.00 39.20 C ATOM 1624 C ILE A 793 26.444 4.067 25.280 1.00 38.95 C ATOM 1625 O ILE A 793 27.275 4.137 24.360 1.00 37.75 O ATOM 1626 CB ILE A 793 25.283 6.138 26.164 1.00 39.38 C ATOM 1627 CG1 ILE A 793 24.131 7.115 25.887 1.00 40.08 C ATOM 1628 CG2 ILE A 793 26.623 6.839 25.983 1.00 40.87 C ATOM 1629 CD1 ILE A 793 23.814 8.061 27.034 1.00 41.29 C ATOM 1630 H ILE A 793 23.502 4.271 26.459 1.00 0.00 H ATOM 1631 N ALA A 794 26.587 3.268 26.336 1.00 37.87 N ATOM 1632 CA ALA A 794 27.739 2.371 26.473 1.00 38.08 C ATOM 1633 C ALA A 794 27.846 1.355 25.327 1.00 38.36 C ATOM 1634 O ALA A 794 28.945 1.038 24.876 1.00 37.89 O ATOM 1635 CB ALA A 794 27.687 1.650 27.801 1.00 37.96 C ATOM 1636 H ALA A 794 25.863 3.281 27.083 1.00 0.00 H ATOM 1637 N THR A 795 26.703 0.852 24.866 1.00 39.28 N ATOM 1638 CA THR A 795 26.650 -0.097 23.746 1.00 38.14 C ATOM 1639 C THR A 795 26.618 0.604 22.387 1.00 41.27 C ATOM 1640 O THR A 795 26.743 -0.054 21.349 1.00 41.38 O ATOM 1641 CB THR A 795 25.404 -0.986 23.832 1.00 36.51 C ATOM 1642 OG1 THR A 795 24.227 -0.175 23.831 1.00 33.89 O ATOM 1643 CG2 THR A 795 25.444 -1.845 25.084 1.00 37.31 C ATOM 1644 HG1 THR A 795 24.248 0.436 24.610 1.00 0.00 H ATOM 1645 H THR A 795 25.812 1.143 25.317 1.00 0.00 H ATOM 1646 N ARG A 796 26.447 1.929 22.409 1.00 41.16 N ATOM 1647 CA ARG A 796 26.323 2.764 21.221 1.00 40.95 C ATOM 1648 C ARG A 796 25.151 2.348 20.331 1.00 38.49 C ATOM 1649 O ARG A 796 25.296 2.224 19.108 1.00 36.67 O ATOM 1650 CB ARG A 796 27.622 2.814 20.413 1.00 43.82 C ATOM 1651 CG ARG A 796 28.874 3.220 21.171 1.00 48.73 C ATOM 1652 CD ARG A 796 30.059 2.772 20.327 1.00 52.92 C ATOM 1653 NE ARG A 796 31.301 3.525 20.568 1.00 59.33 N ATOM 1654 CZ ARG A 796 32.298 3.202 21.409 1.00 63.91 C ATOM 1655 NH1 ARG A 796 32.266 2.114 22.183 1.00 67.22 N ATOM 1656 NH2 ARG A 796 33.367 3.997 21.483 1.00 65.72 N ATOM 1657 HE ARG A 796 31.420 4.405 20.027 1.00 0.00 H ATOM 1658 HH12 ARG A 796 33.062 1.905 22.819 1.00 0.00 H ATOM 1659 HH11 ARG A 796 31.445 1.476 22.150 1.00 0.00 H ATOM 1660 HH22 ARG A 796 34.147 3.761 22.129 1.00 0.00 H ATOM 1661 HH21 ARG A 796 33.420 4.853 20.895 1.00 0.00 H ATOM 1662 H ARG A 796 26.399 2.396 23.337 1.00 0.00 H ATOM 1663 N GLY A 797 23.999 2.119 20.954 1.00 35.77 N ATOM 1664 CA GLY A 797 22.750 1.960 20.217 1.00 35.30 C ATOM 1665 C GLY A 797 22.127 0.591 20.135 1.00 35.57 C ATOM 1666 O GLY A 797 21.173 0.409 19.383 1.00 38.23 O ATOM 1667 H GLY A 797 23.988 2.052 21.992 1.00 0.00 H ATOM 1668 N MET A 798 22.631 -0.376 20.903 1.00 38.56 N ATOM 1669 CA MET A 798 21.956 -1.668 21.023 1.00 38.82 C ATOM 1670 C MET A 798 20.601 -1.458 21.655 1.00 36.90 C ATOM 1671 O MET A 798 20.468 -0.687 22.605 1.00 37.53 O ATOM 1672 CB MET A 798 22.715 -2.654 21.919 1.00 43.09 C ATOM 1673 CG MET A 798 23.910 -3.345 21.289 1.00 46.14 C ATOM 1674 SD MET A 798 24.410 -4.842 22.181 1.00 54.95 S ATOM 1675 CE MET A 798 22.897 -5.793 22.123 1.00 53.32 C ATOM 1676 H MET A 798 23.516 -0.209 21.423 1.00 0.00 H ATOM 1677 N THR A 799 19.607 -2.163 21.131 1.00 37.03 N ATOM 1678 CA THR A 799 18.314 -2.283 21.779 1.00 38.37 C ATOM 1679 C THR A 799 18.523 -3.016 23.103 1.00 40.50 C ATOM 1680 O THR A 799 19.270 -4.001 23.144 1.00 46.35 O ATOM 1681 CB THR A 799 17.336 -3.079 20.904 1.00 39.33 C ATOM 1682 OG1 THR A 799 17.255 -2.467 19.617 1.00 40.03 O ATOM 1683 CG2 THR A 799 15.951 -3.122 21.515 1.00 40.48 C ATOM 1684 HG1 THR A 799 16.625 -2.978 19.049 1.00 0.00 H ATOM 1685 H THR A 799 19.760 -2.647 20.223 1.00 0.00 H ATOM 1686 N PRO A 800 17.900 -2.534 24.194 1.00 41.51 N ATOM 1687 CA PRO A 800 17.992 -3.255 25.472 1.00 41.41 C ATOM 1688 C PRO A 800 17.502 -4.717 25.423 1.00 39.44 C ATOM 1689 O PRO A 800 16.526 -5.021 24.747 1.00 35.76 O ATOM 1690 CB PRO A 800 17.100 -2.423 26.401 1.00 40.88 C ATOM 1691 CG PRO A 800 17.133 -1.061 25.821 1.00 41.27 C ATOM 1692 CD PRO A 800 17.168 -1.262 24.345 1.00 41.71 C ATOM 1693 N TYR A 801 18.204 -5.592 26.136 1.00 42.36 N ATOM 1694 CA TYR A 801 17.773 -6.984 26.390 1.00 43.29 C ATOM 1695 C TYR A 801 17.698 -7.795 25.089 1.00 42.71 C ATOM 1696 O TYR A 801 16.612 -8.217 24.675 1.00 43.95 O ATOM 1697 CB TYR A 801 16.427 -7.025 27.132 1.00 43.93 C ATOM 1698 CG TYR A 801 16.375 -6.190 28.390 1.00 44.75 C ATOM 1699 CD1 TYR A 801 16.952 -6.641 29.572 1.00 45.72 C ATOM 1700 CD2 TYR A 801 15.735 -4.949 28.405 1.00 45.72 C ATOM 1701 CE1 TYR A 801 16.888 -5.883 30.735 1.00 46.58 C ATOM 1702 CE2 TYR A 801 15.671 -4.182 29.562 1.00 43.89 C ATOM 1703 CZ TYR A 801 16.245 -4.648 30.723 1.00 43.42 C ATOM 1704 OH TYR A 801 16.193 -3.889 31.870 1.00 42.68 O ATOM 1705 HH TYR A 801 16.651 -4.370 32.604 1.00 0.00 H ATOM 1706 H TYR A 801 19.110 -5.279 26.539 1.00 0.00 H ATOM 1707 N PRO A 802 18.848 -7.984 24.420 1.00 40.02 N ATOM 1708 CA PRO A 802 18.854 -8.845 23.247 1.00 41.65 C ATOM 1709 C PRO A 802 18.433 -10.267 23.618 1.00 45.18 C ATOM 1710 O PRO A 802 18.783 -10.759 24.694 1.00 45.63 O ATOM 1711 CB PRO A 802 20.306 -8.789 22.772 1.00 40.92 C ATOM 1712 CG PRO A 802 21.081 -8.369 23.975 1.00 41.83 C ATOM 1713 CD PRO A 802 20.177 -7.411 24.679 1.00 40.29 C ATOM 1714 N GLY A 803 17.645 -10.891 22.746 1.00 48.59 N ATOM 1715 CA GLY A 803 17.069 -12.208 23.014 1.00 49.05 C ATOM 1716 C GLY A 803 15.965 -12.242 24.059 1.00 49.40 C ATOM 1717 O GLY A 803 15.708 -13.300 24.620 1.00 52.14 O ATOM 1718 H GLY A 803 17.431 -10.425 21.841 1.00 0.00 H ATOM 1719 N VAL A 804 15.321 -11.104 24.332 1.00 47.25 N ATOM 1720 CA VAL A 804 14.160 -11.049 25.235 1.00 48.59 C ATOM 1721 C VAL A 804 13.047 -10.248 24.554 1.00 48.03 C ATOM 1722 O VAL A 804 13.288 -9.140 24.107 1.00 48.16 O ATOM 1723 CB VAL A 804 14.509 -10.389 26.592 1.00 48.33 C ATOM 1724 CG1 VAL A 804 13.328 -10.471 27.556 1.00 48.16 C ATOM 1725 CG2 VAL A 804 15.748 -11.027 27.214 1.00 47.37 C ATOM 1726 H VAL A 804 15.653 -10.223 23.890 1.00 0.00 H ATOM 1727 N GLN A 805 11.845 -10.810 24.470 1.00 51.43 N ATOM 1728 CA GLN A 805 10.698 -10.128 23.856 1.00 56.14 C ATOM 1729 C GLN A 805 10.068 -9.164 24.860 1.00 55.37 C ATOM 1730 O GLN A 805 10.266 -9.313 26.064 1.00 55.20 O ATOM 1731 CB GLN A 805 9.630 -11.139 23.396 1.00 61.48 C ATOM 1732 CG GLN A 805 10.097 -12.261 22.474 1.00 64.33 C ATOM 1733 CD GLN A 805 10.974 -11.769 21.340 1.00 66.29 C ATOM 1734 OE1 GLN A 805 10.482 -11.236 20.345 1.00 67.66 O ATOM 1735 NE2 GLN A 805 12.281 -11.948 21.483 1.00 69.18 N ATOM 1736 HE22 GLN A 805 12.653 -12.403 22.341 1.00 0.00 H ATOM 1737 HE21 GLN A 805 12.934 -11.633 20.737 1.00 0.00 H ATOM 1738 H GLN A 805 11.712 -11.768 24.853 1.00 0.00 H ATOM 1739 N ASN A 806 9.284 -8.203 24.360 1.00 55.87 N ATOM 1740 CA ASN A 806 8.590 -7.233 25.220 1.00 55.64 C ATOM 1741 C ASN A 806 7.618 -7.862 26.209 1.00 59.20 C ATOM 1742 O ASN A 806 7.608 -7.486 27.379 1.00 60.95 O ATOM 1743 CB ASN A 806 7.855 -6.170 24.396 1.00 55.51 C ATOM 1744 CG ASN A 806 8.792 -5.133 23.789 1.00 55.14 C ATOM 1745 OD1 ASN A 806 9.980 -5.073 24.104 1.00 56.17 O ATOM 1746 ND2 ASN A 806 8.252 -4.310 22.906 1.00 53.84 N ATOM 1747 HD22 ASN A 806 7.243 -4.393 22.667 1.00 0.00 H ATOM 1748 HD21 ASN A 806 8.836 -3.580 22.451 1.00 0.00 H ATOM 1749 H ASN A 806 9.161 -8.140 23.329 1.00 0.00 H ATOM 1750 N HIS A 807 6.811 -8.816 25.749 1.00 62.26 N ATOM 1751 CA HIS A 807 5.891 -9.558 26.644 1.00 64.76 C ATOM 1752 C HIS A 807 6.599 -10.388 27.735 1.00 60.95 C ATOM 1753 O HIS A 807 6.006 -10.668 28.772 1.00 59.07 O ATOM 1754 CB HIS A 807 4.937 -10.453 25.839 1.00 69.27 C ATOM 1755 CG HIS A 807 5.627 -11.542 25.073 1.00 72.58 C ATOM 1756 ND1 HIS A 807 6.046 -11.385 23.767 1.00 73.20 N ATOM 1757 CD2 HIS A 807 5.989 -12.794 25.437 1.00 71.54 C ATOM 1758 CE1 HIS A 807 6.627 -12.497 23.357 1.00 71.09 C ATOM 1759 NE2 HIS A 807 6.607 -13.367 24.352 1.00 73.23 N ATOM 1760 H HIS A 807 6.826 -9.047 24.735 1.00 0.00 H ATOM 1761 N GLU A 808 7.855 -10.771 27.493 1.00 60.45 N ATOM 1762 CA GLU A 808 8.684 -11.479 28.492 1.00 60.45 C ATOM 1763 C GLU A 808 9.307 -10.590 29.583 1.00 58.71 C ATOM 1764 O GLU A 808 9.824 -11.121 30.568 1.00 57.57 O ATOM 1765 CB GLU A 808 9.842 -12.233 27.808 1.00 60.75 C ATOM 1766 CG GLU A 808 9.477 -13.489 27.030 1.00 62.06 C ATOM 1767 CD GLU A 808 10.709 -14.160 26.439 1.00 60.72 C ATOM 1768 OE1 GLU A 808 11.159 -13.744 25.359 1.00 61.22 O ATOM 1769 OE2 GLU A 808 11.244 -15.096 27.063 1.00 63.73 O ATOM 1770 H GLU A 808 8.268 -10.562 26.562 1.00 0.00 H ATOM 1771 N MET A 809 9.280 -9.264 29.415 1.00 56.26 N ATOM 1772 CA MET A 809 10.093 -8.358 30.253 1.00 54.05 C ATOM 1773 C MET A 809 9.794 -8.411 31.752 1.00 53.13 C ATOM 1774 O MET A 809 10.724 -8.465 32.562 1.00 48.15 O ATOM 1775 CB MET A 809 10.004 -6.895 29.762 1.00 53.87 C ATOM 1776 CG MET A 809 10.904 -6.560 28.574 1.00 53.36 C ATOM 1777 SD MET A 809 12.662 -6.937 28.806 1.00 51.84 S ATOM 1778 CE MET A 809 12.999 -6.119 30.362 1.00 52.41 C ATOM 1779 H MET A 809 8.671 -8.859 28.675 1.00 0.00 H ATOM 1780 N TYR A 810 8.516 -8.413 32.121 1.00 55.75 N ATOM 1781 CA TYR A 810 8.149 -8.400 33.538 1.00 61.08 C ATOM 1782 C TYR A 810 8.673 -9.627 34.299 1.00 63.30 C ATOM 1783 O TYR A 810 9.202 -9.489 35.403 1.00 62.06 O ATOM 1784 CB TYR A 810 6.633 -8.258 33.719 1.00 66.13 C ATOM 1785 CG TYR A 810 6.223 -8.095 35.166 1.00 71.87 C ATOM 1786 CD1 TYR A 810 6.759 -7.064 35.947 1.00 72.92 C ATOM 1787 CD2 TYR A 810 5.311 -8.971 35.764 1.00 75.15 C ATOM 1788 CE1 TYR A 810 6.405 -6.912 37.277 1.00 75.21 C ATOM 1789 CE2 TYR A 810 4.947 -8.820 37.096 1.00 78.36 C ATOM 1790 CZ TYR A 810 5.498 -7.790 37.845 1.00 76.98 C ATOM 1791 OH TYR A 810 5.149 -7.627 39.160 1.00 80.11 O ATOM 1792 HH TYR A 810 5.634 -6.850 39.535 1.00 0.00 H ATOM 1793 H TYR A 810 7.771 -8.424 31.396 1.00 0.00 H ATOM 1794 N ASP A 811 8.545 -10.806 33.687 1.00 66.83 N ATOM 1795 CA ASP A 811 9.032 -12.069 34.273 1.00 68.06 C ATOM 1796 C ASP A 811 10.554 -12.126 34.346 1.00 64.93 C ATOM 1797 O ASP A 811 11.110 -12.613 35.326 1.00 64.62 O ATOM 1798 CB ASP A 811 8.556 -13.273 33.454 1.00 71.13 C ATOM 1799 CG ASP A 811 7.064 -13.519 33.566 1.00 76.13 C ATOM 1800 OD1 ASP A 811 6.358 -12.819 34.326 1.00 79.69 O ATOM 1801 OD2 ASP A 811 6.590 -14.434 32.871 1.00 83.67 O ATOM 1802 H ASP A 811 8.082 -10.836 32.756 1.00 0.00 H ATOM 1803 N TYR A 812 11.207 -11.649 33.287 1.00 62.39 N ATOM 1804 CA TYR A 812 12.668 -11.551 33.221 1.00 60.17 C ATOM 1805 C TYR A 812 13.236 -10.688 34.352 1.00 61.51 C ATOM 1806 O TYR A 812 14.213 -11.069 35.001 1.00 58.10 O ATOM 1807 CB TYR A 812 13.076 -10.960 31.874 1.00 58.81 C ATOM 1808 CG TYR A 812 14.555 -10.991 31.602 1.00 59.26 C ATOM 1809 CD1 TYR A 812 15.200 -12.194 31.337 1.00 60.65 C ATOM 1810 CD2 TYR A 812 15.313 -9.819 31.588 1.00 57.89 C ATOM 1811 CE1 TYR A 812 16.559 -12.233 31.069 1.00 61.08 C ATOM 1812 CE2 TYR A 812 16.675 -9.850 31.325 1.00 58.23 C ATOM 1813 CZ TYR A 812 17.292 -11.060 31.062 1.00 58.78 C ATOM 1814 OH TYR A 812 18.636 -11.118 30.798 1.00 55.76 O ATOM 1815 HH TYR A 812 18.899 -12.058 30.635 1.00 0.00 H ATOM 1816 H TYR A 812 10.653 -11.330 32.467 1.00 0.00 H ATOM 1817 N LEU A 813 12.606 -9.535 34.586 1.00 62.41 N ATOM 1818 CA LEU A 813 13.017 -8.623 35.654 1.00 63.48 C ATOM 1819 C LEU A 813 12.613 -9.147 37.028 1.00 65.91 C ATOM 1820 O LEU A 813 13.412 -9.077 37.970 1.00 65.86 O ATOM 1821 CB LEU A 813 12.426 -7.227 35.446 1.00 62.45 C ATOM 1822 CG LEU A 813 12.827 -6.494 34.160 1.00 60.53 C ATOM 1823 CD1 LEU A 813 11.900 -5.308 33.925 1.00 58.76 C ATOM 1824 CD2 LEU A 813 14.290 -6.061 34.188 1.00 58.44 C ATOM 1825 H LEU A 813 11.795 -9.276 33.989 1.00 0.00 H ATOM 1826 N LEU A 814 11.392 -9.685 37.141 1.00 69.02 N ATOM 1827 CA LEU A 814 10.881 -10.239 38.424 1.00 69.94 C ATOM 1828 C LEU A 814 11.775 -11.337 39.014 1.00 69.25 C ATOM 1829 O LEU A 814 11.856 -11.482 40.236 1.00 69.53 O ATOM 1830 CB LEU A 814 9.443 -10.763 38.275 1.00 70.58 C ATOM 1831 CG LEU A 814 8.672 -11.067 39.565 1.00 73.41 C ATOM 1832 CD1 LEU A 814 8.354 -9.787 40.325 1.00 74.23 C ATOM 1833 CD2 LEU A 814 7.391 -11.826 39.255 1.00 74.44 C ATOM 1834 H LEU A 814 10.779 -9.717 36.302 1.00 0.00 H ATOM 1835 N HIS A 815 12.456 -12.083 38.141 1.00 70.55 N ATOM 1836 CA HIS A 815 13.447 -13.093 38.545 1.00 70.25 C ATOM 1837 C HIS A 815 14.854 -12.512 38.815 1.00 66.78 C ATOM 1838 O HIS A 815 15.828 -13.265 38.930 1.00 66.25 O ATOM 1839 CB HIS A 815 13.484 -14.214 37.485 1.00 72.19 C ATOM 1840 CG HIS A 815 12.207 -15.017 37.403 1.00 78.53 C ATOM 1841 ND1 HIS A 815 11.132 -14.798 38.243 1.00 82.42 N ATOM 1842 CD2 HIS A 815 11.840 -16.045 36.597 1.00 81.23 C ATOM 1843 CE1 HIS A 815 10.157 -15.640 37.952 1.00 80.76 C ATOM 1844 NE2 HIS A 815 10.560 -16.408 36.957 1.00 82.81 N ATOM 1845 H HIS A 815 12.277 -11.944 37.126 1.00 0.00 H ATOM 1846 N GLY A 816 14.954 -11.183 38.923 1.00 63.74 N ATOM 1847 CA GLY A 816 16.199 -10.511 39.258 1.00 60.18 C ATOM 1848 C GLY A 816 17.224 -10.357 38.148 1.00 57.51 C ATOM 1849 O GLY A 816 18.347 -9.947 38.430 1.00 61.96 O ATOM 1850 H GLY A 816 14.105 -10.605 38.760 1.00 0.00 H ATOM 1851 N HIS A 817 16.871 -10.662 36.898 1.00 56.03 N ATOM 1852 CA HIS A 817 17.809 -10.476 35.775 1.00 55.25 C ATOM 1853 C HIS A 817 17.814 -9.020 35.329 1.00 51.25 C ATOM 1854 O HIS A 817 16.775 -8.358 35.363 1.00 48.46 O ATOM 1855 CB HIS A 817 17.458 -11.375 34.587 1.00 56.35 C ATOM 1856 CG HIS A 817 17.429 -12.827 34.929 1.00 60.36 C ATOM 1857 ND1 HIS A 817 18.576 -13.567 35.115 1.00 60.54 N ATOM 1858 CD2 HIS A 817 16.392 -13.670 35.145 1.00 60.98 C ATOM 1859 CE1 HIS A 817 18.246 -14.807 35.425 1.00 63.39 C ATOM 1860 NE2 HIS A 817 16.927 -14.895 35.450 1.00 63.71 N ATOM 1861 H HIS A 817 15.919 -11.037 36.712 1.00 0.00 H ATOM 1862 N ARG A 818 18.985 -8.547 34.907 1.00 48.17 N ATOM 1863 CA ARG A 818 19.185 -7.161 34.470 1.00 46.74 C ATOM 1864 C ARG A 818 20.033 -7.090 33.199 1.00 48.94 C ATOM 1865 O ARG A 818 20.611 -8.098 32.768 1.00 50.46 O ATOM 1866 CB ARG A 818 19.869 -6.365 35.583 1.00 44.16 C ATOM 1867 CG ARG A 818 19.044 -6.217 36.856 1.00 43.72 C ATOM 1868 CD ARG A 818 17.794 -5.398 36.603 1.00 43.37 C ATOM 1869 NE ARG A 818 17.028 -5.156 37.819 1.00 46.47 N ATOM 1870 CZ ARG A 818 16.067 -5.944 38.311 1.00 46.85 C ATOM 1871 NH1 ARG A 818 15.709 -7.078 37.705 1.00 48.32 N ATOM 1872 NH2 ARG A 818 15.449 -5.589 39.436 1.00 48.14 N ATOM 1873 HE ARG A 818 17.249 -4.291 38.353 1.00 0.00 H ATOM 1874 HH12 ARG A 818 14.957 -7.670 38.112 1.00 0.00 H ATOM 1875 HH11 ARG A 818 16.182 -7.369 36.826 1.00 0.00 H ATOM 1876 HH22 ARG A 818 14.699 -6.193 39.830 1.00 0.00 H ATOM 1877 HH21 ARG A 818 15.716 -4.708 39.920 1.00 0.00 H ATOM 1878 H ARG A 818 19.800 -9.193 34.886 1.00 0.00 H ATOM 1879 N LEU A 819 20.087 -5.899 32.598 1.00 49.94 N ATOM 1880 CA LEU A 819 20.949 -5.638 31.436 1.00 47.66 C ATOM 1881 C LEU A 819 22.378 -6.017 31.750 1.00 47.06 C ATOM 1882 O LEU A 819 22.920 -5.592 32.768 1.00 48.91 O ATOM 1883 CB LEU A 819 20.919 -4.158 31.038 1.00 45.56 C ATOM 1884 CG LEU A 819 19.664 -3.692 30.318 1.00 44.81 C ATOM 1885 CD1 LEU A 819 19.533 -2.185 30.396 1.00 45.11 C ATOM 1886 CD2 LEU A 819 19.643 -4.163 28.869 1.00 44.27 C ATOM 1887 H LEU A 819 19.496 -5.126 32.966 1.00 0.00 H ATOM 1888 N LYS A 820 22.975 -6.809 30.870 1.00 47.86 N ATOM 1889 CA LYS A 820 24.302 -7.363 31.097 1.00 50.97 C ATOM 1890 C LYS A 820 25.348 -6.278 30.830 1.00 47.09 C ATOM 1891 O LYS A 820 25.123 -5.360 30.034 1.00 46.27 O ATOM 1892 CB LYS A 820 24.551 -8.588 30.180 1.00 56.96 C ATOM 1893 CG LYS A 820 23.555 -9.772 30.227 1.00 61.40 C ATOM 1894 CD LYS A 820 23.129 -10.229 31.645 1.00 68.51 C ATOM 1895 CE LYS A 820 24.159 -11.199 32.214 1.00 74.31 C ATOM 1896 NZ LYS A 820 23.931 -11.483 33.659 1.00 78.61 N ATOM 1897 HZ1 LYS A 820 23.990 -10.596 34.199 1.00 0.00 H ATOM 1898 HZ2 LYS A 820 22.988 -11.904 33.784 1.00 0.00 H ATOM 1899 HZ3 LYS A 820 24.656 -12.147 33.999 1.00 0.00 H ATOM 1900 H LYS A 820 22.478 -7.043 29.987 1.00 0.00 H ATOM 1901 N GLN A 821 26.485 -6.386 31.508 1.00 46.37 N ATOM 1902 CA GLN A 821 27.604 -5.470 31.307 1.00 47.84 C ATOM 1903 C GLN A 821 28.073 -5.497 29.848 1.00 48.76 C ATOM 1904 O GLN A 821 28.326 -6.575 29.314 1.00 48.50 O ATOM 1905 CB GLN A 821 28.765 -5.824 32.239 1.00 47.45 C ATOM 1906 CG GLN A 821 29.958 -4.885 32.133 1.00 48.90 C ATOM 1907 CD GLN A 821 30.990 -5.098 33.227 1.00 51.49 C ATOM 1908 OE1 GLN A 821 30.866 -6.003 34.048 1.00 53.71 O ATOM 1909 NE2 GLN A 821 32.021 -4.250 33.244 1.00 52.06 N ATOM 1910 HE22 GLN A 821 32.087 -3.497 32.529 1.00 0.00 H ATOM 1911 HE21 GLN A 821 32.758 -4.342 33.972 1.00 0.00 H ATOM 1912 H GLN A 821 26.582 -7.150 32.207 1.00 0.00 H ATOM 1913 N PRO A 822 28.154 -4.316 29.190 1.00 50.98 N ATOM 1914 CA PRO A 822 28.708 -4.259 27.831 1.00 51.14 C ATOM 1915 C PRO A 822 30.186 -4.625 27.752 1.00 54.59 C ATOM 1916 O PRO A 822 30.891 -4.583 28.760 1.00 51.43 O ATOM 1917 CB PRO A 822 28.495 -2.801 27.417 1.00 49.59 C ATOM 1918 CG PRO A 822 27.355 -2.338 28.255 1.00 50.09 C ATOM 1919 CD PRO A 822 27.533 -3.032 29.565 1.00 50.01 C ATOM 1920 N GLU A 823 30.620 -4.911 26.524 1.00 60.25 N ATOM 1921 CA GLU A 823 31.881 -5.594 26.205 1.00 63.41 C ATOM 1922 C GLU A 823 33.117 -5.039 26.911 1.00 67.15 C ATOM 1923 O GLU A 823 33.635 -5.681 27.824 1.00 73.28 O ATOM 1924 CB GLU A 823 32.099 -5.606 24.679 1.00 65.66 C ATOM 1925 CG GLU A 823 33.276 -6.444 24.191 1.00 66.74 C ATOM 1926 CD GLU A 823 33.262 -6.652 22.684 1.00 67.08 C ATOM 1927 OE1 GLU A 823 32.696 -5.806 21.946 1.00 63.77 O ATOM 1928 OE2 GLU A 823 33.808 -7.677 22.227 1.00 70.78 O ATOM 1929 H GLU A 823 30.016 -4.627 25.726 1.00 0.00 H ATOM 1930 N ASP A 824 33.574 -3.852 26.514 1.00 69.16 N ATOM 1931 CA ASP A 824 34.828 -3.289 27.046 1.00 75.74 C ATOM 1932 C ASP A 824 34.561 -2.182 28.090 1.00 74.01 C ATOM 1933 O ASP A 824 35.416 -1.322 28.319 1.00 74.66 O ATOM 1934 CB ASP A 824 35.712 -2.769 25.888 1.00 78.96 C ATOM 1935 CG ASP A 824 36.311 -3.902 25.040 1.00 78.33 C ATOM 1936 OD1 ASP A 824 37.198 -4.633 25.538 1.00 75.70 O ATOM 1937 OD2 ASP A 824 35.905 -4.046 23.866 1.00 79.80 O ATOM 1938 H ASP A 824 33.032 -3.309 25.811 1.00 0.00 H ATOM 1939 N CYS A 825 33.403 -2.252 28.758 1.00 69.05 N ATOM 1940 CA CYS A 825 32.905 -1.174 29.621 1.00 65.82 C ATOM 1941 C CYS A 825 33.354 -1.406 31.072 1.00 62.63 C ATOM 1942 O CYS A 825 33.212 -2.503 31.606 1.00 58.92 O ATOM 1943 CB CYS A 825 31.374 -1.062 29.495 1.00 67.35 C ATOM 1944 SG CYS A 825 30.478 -0.557 30.982 1.00 68.07 S ATOM 1945 H CYS A 825 32.828 -3.113 28.661 1.00 0.00 H ATOM 1946 N LEU A 826 33.897 -0.362 31.697 1.00 61.75 N ATOM 1947 CA LEU A 826 34.495 -0.454 33.040 1.00 57.26 C ATOM 1948 C LEU A 826 33.526 -0.974 34.082 1.00 54.71 C ATOM 1949 O LEU A 826 32.326 -0.708 33.998 1.00 53.72 O ATOM 1950 CB LEU A 826 34.987 0.914 33.493 1.00 59.00 C ATOM 1951 CG LEU A 826 36.218 1.457 32.766 1.00 62.17 C ATOM 1952 CD1 LEU A 826 36.350 2.961 32.962 1.00 60.62 C ATOM 1953 CD2 LEU A 826 37.478 0.733 33.229 1.00 64.76 C ATOM 1954 H LEU A 826 33.899 0.559 31.215 1.00 0.00 H ATOM 1955 N ASP A 827 34.057 -1.722 35.050 1.00 55.35 N ATOM 1956 CA ASP A 827 33.276 -2.247 36.184 1.00 56.30 C ATOM 1957 C ASP A 827 32.619 -1.125 36.983 1.00 54.71 C ATOM 1958 O ASP A 827 31.481 -1.260 37.425 1.00 51.43 O ATOM 1959 CB ASP A 827 34.165 -3.060 37.137 1.00 59.30 C ATOM 1960 CG ASP A 827 34.720 -4.330 36.505 1.00 61.77 C ATOM 1961 OD1 ASP A 827 34.106 -4.887 35.568 1.00 61.22 O ATOM 1962 OD2 ASP A 827 35.785 -4.784 36.970 1.00 65.96 O ATOM 1963 H ASP A 827 35.072 -1.946 35.002 1.00 0.00 H ATOM 1964 N GLU A 828 33.346 -0.019 37.137 1.00 55.96 N ATOM 1965 CA GLU A 828 32.864 1.168 37.865 1.00 56.32 C ATOM 1966 C GLU A 828 31.644 1.779 37.172 1.00 52.13 C ATOM 1967 O GLU A 828 30.664 2.142 37.823 1.00 49.92 O ATOM 1968 CB GLU A 828 33.970 2.225 37.996 1.00 58.34 C ATOM 1969 CG GLU A 828 35.191 1.789 38.814 1.00 66.89 C ATOM 1970 CD GLU A 828 36.314 1.117 37.999 1.00 71.12 C ATOM 1971 OE1 GLU A 828 36.040 0.458 36.959 1.00 66.56 O ATOM 1972 OE2 GLU A 828 37.487 1.230 38.422 1.00 73.01 O ATOM 1973 H GLU A 828 34.300 0.008 36.723 1.00 0.00 H ATOM 1974 N LEU A 829 31.696 1.857 35.846 1.00 48.64 N ATOM 1975 CA LEU A 829 30.561 2.356 35.076 1.00 46.43 C ATOM 1976 C LEU A 829 29.350 1.432 35.211 1.00 43.88 C ATOM 1977 O LEU A 829 28.223 1.902 35.392 1.00 42.20 O ATOM 1978 CB LEU A 829 30.946 2.557 33.599 1.00 44.99 C ATOM 1979 CG LEU A 829 29.862 3.057 32.636 1.00 43.78 C ATOM 1980 CD1 LEU A 829 29.228 4.357 33.116 1.00 43.69 C ATOM 1981 CD2 LEU A 829 30.445 3.242 31.249 1.00 44.23 C ATOM 1982 H LEU A 829 32.559 1.558 35.349 1.00 0.00 H ATOM 1983 N TYR A 830 29.591 0.125 35.131 1.00 42.22 N ATOM 1984 CA TYR A 830 28.515 -0.849 35.219 1.00 42.00 C ATOM 1985 C TYR A 830 27.856 -0.841 36.599 1.00 42.75 C ATOM 1986 O TYR A 830 26.640 -0.999 36.690 1.00 41.64 O ATOM 1987 CB TYR A 830 28.978 -2.266 34.827 1.00 43.21 C ATOM 1988 CG TYR A 830 27.832 -3.255 34.782 1.00 42.90 C ATOM 1989 CD1 TYR A 830 26.812 -3.127 33.836 1.00 42.14 C ATOM 1990 CD2 TYR A 830 27.747 -4.299 35.701 1.00 43.73 C ATOM 1991 CE1 TYR A 830 25.745 -4.012 33.805 1.00 41.76 C ATOM 1992 CE2 TYR A 830 26.683 -5.187 35.682 1.00 43.38 C ATOM 1993 CZ TYR A 830 25.688 -5.040 34.732 1.00 43.20 C ATOM 1994 OH TYR A 830 24.639 -5.923 34.717 1.00 43.99 O ATOM 1995 HH TYR A 830 24.018 -5.684 33.984 1.00 0.00 H ATOM 1996 H TYR A 830 30.569 -0.206 35.003 1.00 0.00 H ATOM 1997 N GLU A 831 28.648 -0.672 37.660 1.00 45.40 N ATOM 1998 CA GLU A 831 28.101 -0.482 39.020 1.00 49.07 C ATOM 1999 C GLU A 831 27.131 0.695 39.103 1.00 46.29 C ATOM 2000 O GLU A 831 26.073 0.590 39.717 1.00 41.30 O ATOM 2001 CB GLU A 831 29.210 -0.252 40.036 1.00 56.07 C ATOM 2002 CG GLU A 831 29.988 -1.496 40.413 1.00 64.46 C ATOM 2003 CD GLU A 831 31.281 -1.159 41.132 1.00 72.82 C ATOM 2004 OE1 GLU A 831 32.265 -1.913 40.933 1.00 77.29 O ATOM 2005 OE2 GLU A 831 31.312 -0.139 41.877 1.00 74.55 O ATOM 2006 H GLU A 831 29.679 -0.674 37.526 1.00 0.00 H ATOM 2007 N ILE A 832 27.491 1.808 38.468 1.00 45.85 N ATOM 2008 CA ILE A 832 26.625 2.989 38.458 1.00 45.12 C ATOM 2009 C ILE A 832 25.302 2.678 37.747 1.00 45.80 C ATOM 2010 O ILE A 832 24.231 2.898 38.320 1.00 47.17 O ATOM 2011 CB ILE A 832 27.325 4.221 37.846 1.00 43.65 C ATOM 2012 CG1 ILE A 832 28.483 4.650 38.753 1.00 43.86 C ATOM 2013 CG2 ILE A 832 26.346 5.375 37.674 1.00 43.29 C ATOM 2014 CD1 ILE A 832 29.487 5.564 38.091 1.00 44.37 C ATOM 2015 H ILE A 832 28.404 1.840 37.970 1.00 0.00 H ATOM 2016 N MET A 833 25.360 2.122 36.538 1.00 44.36 N ATOM 2017 CA MET A 833 24.108 1.813 35.840 1.00 44.42 C ATOM 2018 C MET A 833 23.287 0.733 36.552 1.00 44.12 C ATOM 2019 O MET A 833 22.071 0.850 36.614 1.00 46.78 O ATOM 2020 CB MET A 833 24.300 1.509 34.345 1.00 45.88 C ATOM 2021 CG MET A 833 25.233 0.388 33.955 1.00 46.80 C ATOM 2022 SD MET A 833 25.218 0.173 32.157 1.00 47.52 S ATOM 2023 CE MET A 833 26.438 1.371 31.632 1.00 43.93 C ATOM 2024 H MET A 833 26.278 1.911 36.097 1.00 0.00 H ATOM 2025 N TYR A 834 23.951 -0.267 37.132 1.00 42.54 N ATOM 2026 CA TYR A 834 23.271 -1.326 37.894 1.00 43.83 C ATOM 2027 C TYR A 834 22.483 -0.787 39.092 1.00 44.83 C ATOM 2028 O TYR A 834 21.341 -1.201 39.328 1.00 45.53 O ATOM 2029 CB TYR A 834 24.270 -2.407 38.360 1.00 45.17 C ATOM 2030 CG TYR A 834 23.633 -3.713 38.801 1.00 44.72 C ATOM 2031 CD1 TYR A 834 23.186 -4.639 37.866 1.00 44.47 C ATOM 2032 CD2 TYR A 834 23.487 -4.021 40.152 1.00 47.07 C ATOM 2033 CE1 TYR A 834 22.605 -5.836 38.260 1.00 45.15 C ATOM 2034 CE2 TYR A 834 22.905 -5.214 40.563 1.00 49.30 C ATOM 2035 CZ TYR A 834 22.469 -6.122 39.611 1.00 48.29 C ATOM 2036 OH TYR A 834 21.888 -7.300 40.022 1.00 48.10 O ATOM 2037 HH TYR A 834 21.633 -7.835 39.229 1.00 0.00 H ATOM 2038 H TYR A 834 24.987 -0.300 37.043 1.00 0.00 H ATOM 2039 N SER A 835 23.082 0.151 39.825 1.00 44.72 N ATOM 2040 CA SER A 835 22.407 0.795 40.959 1.00 44.34 C ATOM 2041 C SER A 835 21.062 1.421 40.580 1.00 44.27 C ATOM 2042 O SER A 835 20.194 1.581 41.443 1.00 43.83 O ATOM 2043 CB SER A 835 23.310 1.844 41.621 1.00 44.28 C ATOM 2044 OG SER A 835 23.354 3.055 40.870 1.00 45.12 O ATOM 2045 HG SER A 835 23.707 2.868 39.964 1.00 0.00 H ATOM 2046 H SER A 835 24.054 0.435 39.587 1.00 0.00 H ATOM 2047 N CYS A 836 20.896 1.791 39.305 1.00 41.62 N ATOM 2048 CA CYS A 836 19.630 2.342 38.829 1.00 40.85 C ATOM 2049 C CYS A 836 18.515 1.324 38.718 1.00 41.33 C ATOM 2050 O CYS A 836 17.360 1.718 38.618 1.00 41.86 O ATOM 2051 CB CYS A 836 19.796 3.019 37.463 1.00 39.70 C ATOM 2052 SG CYS A 836 21.075 4.288 37.387 1.00 38.62 S ATOM 2053 H CYS A 836 21.686 1.684 38.638 1.00 0.00 H ATOM 2054 N TRP A 837 18.843 0.030 38.698 1.00 43.99 N ATOM 2055 CA TRP A 837 17.837 -1.013 38.515 1.00 43.96 C ATOM 2056 C TRP A 837 17.610 -1.886 39.752 1.00 46.63 C ATOM 2057 O TRP A 837 17.217 -3.048 39.611 1.00 49.88 O ATOM 2058 CB TRP A 837 18.214 -1.908 37.334 1.00 43.10 C ATOM 2059 CG TRP A 837 18.684 -1.202 36.106 1.00 42.21 C ATOM 2060 CD1 TRP A 837 18.067 -0.179 35.448 1.00 40.24 C ATOM 2061 CD2 TRP A 837 19.862 -1.513 35.353 1.00 42.30 C ATOM 2062 NE1 TRP A 837 18.807 0.186 34.347 1.00 38.78 N ATOM 2063 CE2 TRP A 837 19.914 -0.619 34.268 1.00 40.20 C ATOM 2064 CE3 TRP A 837 20.888 -2.460 35.500 1.00 42.23 C ATOM 2065 CZ2 TRP A 837 20.954 -0.641 33.335 1.00 40.31 C ATOM 2066 CZ3 TRP A 837 21.926 -2.475 34.570 1.00 41.22 C ATOM 2067 CH2 TRP A 837 21.947 -1.571 33.504 1.00 39.77 C ATOM 2068 HE1 TRP A 837 18.566 0.949 33.682 1.00 0.00 H ATOM 2069 H TRP A 837 19.840 -0.242 38.816 1.00 0.00 H ATOM 2070 N ARG A 838 17.850 -1.350 40.948 1.00 46.99 N ATOM 2071 CA ARG A 838 17.562 -2.085 42.178 1.00 50.14 C ATOM 2072 C ARG A 838 16.050 -2.279 42.274 1.00 51.73 C ATOM 2073 O ARG A 838 15.275 -1.380 41.902 1.00 50.26 O ATOM 2074 CB ARG A 838 18.034 -1.336 43.419 1.00 53.99 C ATOM 2075 CG ARG A 838 19.516 -1.015 43.495 1.00 59.82 C ATOM 2076 CD ARG A 838 20.424 -2.192 43.797 1.00 67.49 C ATOM 2077 NE ARG A 838 21.862 -1.974 43.473 1.00 75.28 N ATOM 2078 CZ ARG A 838 22.660 -1.012 43.978 1.00 77.07 C ATOM 2079 NH1 ARG A 838 22.225 -0.099 44.856 1.00 72.77 N ATOM 2080 NH2 ARG A 838 23.935 -0.948 43.575 1.00 79.23 N ATOM 2081 HE ARG A 838 22.293 -2.629 42.790 1.00 0.00 H ATOM 2082 HH12 ARG A 838 22.877 0.625 45.219 1.00 0.00 H ATOM 2083 HH11 ARG A 838 21.235 -0.114 45.175 1.00 0.00 H ATOM 2084 HH22 ARG A 838 24.564 -0.212 43.955 1.00 0.00 H ATOM 2085 HH21 ARG A 838 24.296 -1.634 42.882 1.00 0.00 H ATOM 2086 H ARG A 838 18.249 -0.392 41.007 1.00 0.00 H ATOM 2087 N THR A 839 15.638 -3.451 42.766 1.00 51.82 N ATOM 2088 CA THR A 839 14.215 -3.818 42.865 1.00 52.07 C ATOM 2089 C THR A 839 13.445 -2.777 43.679 1.00 54.51 C ATOM 2090 O THR A 839 12.401 -2.281 43.251 1.00 53.21 O ATOM 2091 CB THR A 839 14.042 -5.221 43.501 1.00 51.42 C ATOM 2092 OG1 THR A 839 14.857 -6.161 42.790 1.00 49.34 O ATOM 2093 CG2 THR A 839 12.585 -5.681 43.469 1.00 49.74 C ATOM 2094 HG1 THR A 839 14.750 -7.059 43.192 1.00 0.00 H ATOM 2095 H THR A 839 16.352 -4.133 43.093 1.00 0.00 H ATOM 2096 N ASP A 840 13.989 -2.454 44.847 1.00 57.97 N ATOM 2097 CA ASP A 840 13.418 -1.447 45.725 1.00 59.75 C ATOM 2098 C ASP A 840 13.838 -0.089 45.185 1.00 58.71 C ATOM 2099 O ASP A 840 15.038 0.223 45.182 1.00 56.39 O ATOM 2100 CB ASP A 840 13.939 -1.643 47.156 1.00 62.36 C ATOM 2101 CG ASP A 840 13.111 -0.908 48.204 1.00 64.61 C ATOM 2102 OD1 ASP A 840 12.376 0.054 47.889 1.00 61.37 O ATOM 2103 OD2 ASP A 840 13.208 -1.320 49.375 1.00 71.14 O ATOM 2104 H ASP A 840 14.858 -2.941 45.145 1.00 0.00 H ATOM 2105 N PRO A 841 12.867 0.738 44.737 1.00 58.90 N ATOM 2106 CA PRO A 841 13.251 2.059 44.218 1.00 56.49 C ATOM 2107 C PRO A 841 13.963 2.958 45.230 1.00 55.08 C ATOM 2108 O PRO A 841 14.720 3.848 44.828 1.00 51.93 O ATOM 2109 CB PRO A 841 11.914 2.672 43.770 1.00 58.51 C ATOM 2110 CG PRO A 841 10.863 1.885 44.458 1.00 59.62 C ATOM 2111 CD PRO A 841 11.418 0.504 44.593 1.00 59.28 C ATOM 2112 N LEU A 842 13.740 2.715 46.522 1.00 55.78 N ATOM 2113 CA LEU A 842 14.444 3.439 47.584 1.00 56.26 C ATOM 2114 C LEU A 842 15.946 3.109 47.663 1.00 55.05 C ATOM 2115 O LEU A 842 16.717 3.899 48.203 1.00 57.13 O ATOM 2116 CB LEU A 842 13.775 3.189 48.949 1.00 60.22 C ATOM 2117 CG LEU A 842 12.258 3.437 49.084 1.00 60.35 C ATOM 2118 CD1 LEU A 842 11.887 3.574 50.553 1.00 61.05 C ATOM 2119 CD2 LEU A 842 11.771 4.650 48.291 1.00 58.68 C ATOM 2120 H LEU A 842 13.044 1.988 46.785 1.00 0.00 H ATOM 2121 N ASP A 843 16.359 1.962 47.127 1.00 53.59 N ATOM 2122 CA ASP A 843 17.782 1.627 47.013 1.00 54.16 C ATOM 2123 C ASP A 843 18.492 2.320 45.851 1.00 52.49 C ATOM 2124 O ASP A 843 19.719 2.288 45.786 1.00 52.88 O ATOM 2125 CB ASP A 843 17.975 0.117 46.848 1.00 58.13 C ATOM 2126 CG ASP A 843 17.482 -0.680 48.047 1.00 61.89 C ATOM 2127 OD1 ASP A 843 17.001 -0.076 49.033 1.00 63.44 O ATOM 2128 OD2 ASP A 843 17.573 -1.923 47.984 1.00 64.04 O ATOM 2129 H ASP A 843 15.651 1.284 46.779 1.00 0.00 H ATOM 2130 N ARG A 844 17.736 2.896 44.918 1.00 49.63 N ATOM 2131 CA ARG A 844 18.321 3.565 43.764 1.00 47.42 C ATOM 2132 C ARG A 844 18.837 4.937 44.199 1.00 46.13 C ATOM 2133 O ARG A 844 18.215 5.581 45.041 1.00 47.97 O ATOM 2134 CB ARG A 844 17.294 3.715 42.644 1.00 46.28 C ATOM 2135 CG ARG A 844 16.833 2.397 42.050 1.00 48.16 C ATOM 2136 CD ARG A 844 15.600 2.541 41.168 1.00 48.27 C ATOM 2137 NE ARG A 844 14.867 1.279 41.106 1.00 50.36 N ATOM 2138 CZ ARG A 844 13.605 1.128 40.695 1.00 53.19 C ATOM 2139 NH1 ARG A 844 12.892 2.161 40.237 1.00 51.83 N ATOM 2140 NH2 ARG A 844 13.051 -0.087 40.738 1.00 54.68 N ATOM 2141 HE ARG A 844 15.373 0.422 41.409 1.00 0.00 H ATOM 2142 HH12 ARG A 844 11.911 2.017 39.923 1.00 0.00 H ATOM 2143 HH11 ARG A 844 13.318 3.109 40.195 1.00 0.00 H ATOM 2144 HH22 ARG A 844 12.070 -0.222 40.422 1.00 0.00 H ATOM 2145 HH21 ARG A 844 13.601 -0.897 41.088 1.00 0.00 H ATOM 2146 H ARG A 844 16.701 2.867 45.016 1.00 0.00 H ATOM 2147 N PRO A 845 19.984 5.376 43.647 1.00 44.19 N ATOM 2148 CA PRO A 845 20.497 6.719 43.967 1.00 42.94 C ATOM 2149 C PRO A 845 19.659 7.828 43.331 1.00 40.57 C ATOM 2150 O PRO A 845 18.905 7.569 42.395 1.00 40.33 O ATOM 2151 CB PRO A 845 21.905 6.706 43.360 1.00 42.78 C ATOM 2152 CG PRO A 845 21.817 5.736 42.231 1.00 42.86 C ATOM 2153 CD PRO A 845 20.847 4.676 42.672 1.00 42.89 C ATOM 2154 N THR A 846 19.780 9.047 43.845 1.00 39.99 N ATOM 2155 CA THR A 846 19.127 10.201 43.217 1.00 39.79 C ATOM 2156 C THR A 846 19.931 10.623 41.996 1.00 37.39 C ATOM 2157 O THR A 846 21.074 10.193 41.811 1.00 36.47 O ATOM 2158 CB THR A 846 19.011 11.404 44.169 1.00 39.60 C ATOM 2159 OG1 THR A 846 20.316 11.768 44.630 1.00 41.30 O ATOM 2160 CG2 THR A 846 18.125 11.071 45.357 1.00 40.11 C ATOM 2161 HG1 THR A 846 20.244 12.542 45.243 1.00 0.00 H ATOM 2162 H THR A 846 20.347 9.185 44.706 1.00 0.00 H ATOM 2163 N PHE A 847 19.326 11.454 41.160 1.00 36.83 N ATOM 2164 CA PHE A 847 20.042 12.026 40.020 1.00 37.38 C ATOM 2165 C PHE A 847 21.266 12.860 40.408 1.00 37.95 C ATOM 2166 O PHE A 847 22.255 12.864 39.684 1.00 39.80 O ATOM 2167 CB PHE A 847 19.099 12.818 39.105 1.00 37.16 C ATOM 2168 CG PHE A 847 18.279 11.950 38.198 1.00 36.78 C ATOM 2169 CD1 PHE A 847 18.890 11.262 37.151 1.00 36.10 C ATOM 2170 CD2 PHE A 847 16.907 11.800 38.387 1.00 36.81 C ATOM 2171 CE1 PHE A 847 18.146 10.448 36.309 1.00 35.19 C ATOM 2172 CE2 PHE A 847 16.159 10.983 37.547 1.00 36.73 C ATOM 2173 CZ PHE A 847 16.781 10.305 36.509 1.00 35.06 C ATOM 2174 H PHE A 847 18.328 11.703 41.316 1.00 0.00 H ATOM 2175 N SER A 848 21.219 13.540 41.547 1.00 39.80 N ATOM 2176 CA SER A 848 22.366 14.327 41.973 1.00 41.98 C ATOM 2177 C SER A 848 23.516 13.426 42.441 1.00 42.36 C ATOM 2178 O SER A 848 24.682 13.756 42.218 1.00 42.61 O ATOM 2179 CB SER A 848 21.966 15.346 43.043 1.00 42.42 C ATOM 2180 OG SER A 848 21.388 14.697 44.145 1.00 46.52 O ATOM 2181 HG SER A 848 20.581 14.204 43.851 1.00 0.00 H ATOM 2182 H SER A 848 20.362 13.510 42.135 1.00 0.00 H ATOM 2183 N VAL A 849 23.194 12.292 43.071 1.00 41.96 N ATOM 2184 CA VAL A 849 24.208 11.277 43.408 1.00 42.13 C ATOM 2185 C VAL A 849 24.862 10.712 42.143 1.00 41.06 C ATOM 2186 O VAL A 849 26.086 10.675 42.035 1.00 40.32 O ATOM 2187 CB VAL A 849 23.624 10.114 44.269 1.00 42.12 C ATOM 2188 CG1 VAL A 849 24.610 8.958 44.396 1.00 41.47 C ATOM 2189 CG2 VAL A 849 23.260 10.616 45.661 1.00 43.73 C ATOM 2190 H VAL A 849 22.201 12.121 43.330 1.00 0.00 H ATOM 2191 N LEU A 850 24.033 10.271 41.202 1.00 39.44 N ATOM 2192 CA LEU A 850 24.527 9.732 39.931 1.00 38.14 C ATOM 2193 C LEU A 850 25.414 10.722 39.183 1.00 38.45 C ATOM 2194 O LEU A 850 26.470 10.364 38.660 1.00 40.13 O ATOM 2195 CB LEU A 850 23.363 9.338 39.027 1.00 36.99 C ATOM 2196 CG LEU A 850 22.577 8.099 39.437 1.00 37.17 C ATOM 2197 CD1 LEU A 850 21.233 8.068 38.714 1.00 35.90 C ATOM 2198 CD2 LEU A 850 23.390 6.837 39.167 1.00 38.22 C ATOM 2199 H LEU A 850 23.008 10.309 41.372 1.00 0.00 H ATOM 2200 N ARG A 851 24.982 11.971 39.144 1.00 37.75 N ATOM 2201 CA ARG A 851 25.699 12.984 38.407 1.00 38.31 C ATOM 2202 C ARG A 851 27.136 13.103 38.903 1.00 40.13 C ATOM 2203 O ARG A 851 28.066 13.151 38.097 1.00 40.25 O ATOM 2204 CB ARG A 851 24.951 14.317 38.489 1.00 37.46 C ATOM 2205 CG ARG A 851 25.521 15.417 37.604 1.00 36.58 C ATOM 2206 CD ARG A 851 26.492 16.292 38.354 1.00 37.47 C ATOM 2207 NE ARG A 851 25.817 16.878 39.506 1.00 38.04 N ATOM 2208 CZ ARG A 851 26.401 17.222 40.646 1.00 38.22 C ATOM 2209 NH1 ARG A 851 27.716 17.090 40.827 1.00 38.84 N ATOM 2210 NH2 ARG A 851 25.650 17.712 41.620 1.00 38.13 N ATOM 2211 HE ARG A 851 24.793 17.040 39.427 1.00 0.00 H ATOM 2212 HH12 ARG A 851 28.147 17.368 41.732 1.00 0.00 H ATOM 2213 HH11 ARG A 851 28.310 16.709 40.063 1.00 0.00 H ATOM 2214 HH22 ARG A 851 26.085 17.989 42.523 1.00 0.00 H ATOM 2215 HH21 ARG A 851 24.625 17.820 41.482 1.00 0.00 H ATOM 2216 H ARG A 851 24.112 12.228 39.652 1.00 0.00 H ATOM 2217 N LEU A 852 27.314 13.137 40.222 1.00 41.98 N ATOM 2218 CA LEU A 852 28.648 13.277 40.800 1.00 42.83 C ATOM 2219 C LEU A 852 29.485 12.025 40.573 1.00 41.74 C ATOM 2220 O LEU A 852 30.654 12.132 40.211 1.00 40.62 O ATOM 2221 CB LEU A 852 28.574 13.628 42.294 1.00 45.15 C ATOM 2222 CG LEU A 852 29.905 13.867 43.016 1.00 46.31 C ATOM 2223 CD1 LEU A 852 30.720 14.965 42.347 1.00 46.55 C ATOM 2224 CD2 LEU A 852 29.654 14.205 44.471 1.00 47.58 C ATOM 2225 H LEU A 852 26.489 13.063 40.851 1.00 0.00 H ATOM 2226 N GLN A 853 28.886 10.855 40.784 1.00 41.06 N ATOM 2227 CA GLN A 853 29.555 9.577 40.496 1.00 41.21 C ATOM 2228 C GLN A 853 30.083 9.503 39.073 1.00 41.22 C ATOM 2229 O GLN A 853 31.214 9.079 38.850 1.00 43.06 O ATOM 2230 CB GLN A 853 28.613 8.409 40.723 1.00 41.03 C ATOM 2231 CG GLN A 853 28.415 8.084 42.180 1.00 43.24 C ATOM 2232 CD GLN A 853 27.396 6.991 42.421 1.00 44.44 C ATOM 2233 OE1 GLN A 853 26.611 6.643 41.545 1.00 44.82 O ATOM 2234 NE2 GLN A 853 27.376 6.474 43.645 1.00 47.31 N ATOM 2235 HE22 GLN A 853 28.060 6.798 44.358 1.00 0.00 H ATOM 2236 HE21 GLN A 853 26.676 5.745 43.890 1.00 0.00 H ATOM 2237 H GLN A 853 27.918 10.844 41.163 1.00 0.00 H ATOM 2238 N LEU A 854 29.255 9.912 38.116 1.00 40.04 N ATOM 2239 CA LEU A 854 29.679 10.005 36.721 1.00 39.74 C ATOM 2240 C LEU A 854 30.758 11.071 36.499 1.00 43.25 C ATOM 2241 O LEU A 854 31.726 10.826 35.784 1.00 44.88 O ATOM 2242 CB LEU A 854 28.482 10.259 35.807 1.00 37.94 C ATOM 2243 CG LEU A 854 27.478 9.113 35.724 1.00 37.24 C ATOM 2244 CD1 LEU A 854 26.159 9.586 35.146 1.00 36.39 C ATOM 2245 CD2 LEU A 854 28.016 7.956 34.895 1.00 38.41 C ATOM 2246 H LEU A 854 28.280 10.172 38.367 1.00 0.00 H ATOM 2247 N GLU A 855 30.593 12.249 37.100 1.00 47.67 N ATOM 2248 CA GLU A 855 31.608 13.308 36.988 1.00 49.35 C ATOM 2249 C GLU A 855 32.953 12.837 37.540 1.00 51.79 C ATOM 2250 O GLU A 855 33.981 13.018 36.898 1.00 48.26 O ATOM 2251 CB GLU A 855 31.161 14.595 37.691 1.00 50.70 C ATOM 2252 CG GLU A 855 30.187 15.430 36.874 1.00 51.31 C ATOM 2253 CD GLU A 855 29.761 16.715 37.583 1.00 53.41 C ATOM 2254 OE1 GLU A 855 29.526 16.678 38.813 1.00 54.63 O ATOM 2255 OE2 GLU A 855 29.654 17.766 36.905 1.00 53.05 O ATOM 2256 H GLU A 855 29.732 12.423 37.657 1.00 0.00 H ATOM 2257 N LYS A 856 32.924 12.197 38.710 1.00 56.58 N ATOM 2258 CA LYS A 856 34.141 11.666 39.345 1.00 63.88 C ATOM 2259 C LYS A 856 34.823 10.602 38.479 1.00 62.13 C ATOM 2260 O LYS A 856 36.043 10.607 38.336 1.00 63.85 O ATOM 2261 CB LYS A 856 33.840 11.078 40.735 1.00 70.02 C ATOM 2262 CG LYS A 856 35.002 11.160 41.720 1.00 79.72 C ATOM 2263 CD LYS A 856 35.205 12.594 42.218 1.00 86.81 C ATOM 2264 CE LYS A 856 35.964 12.681 43.541 1.00 94.55 C ATOM 2265 NZ LYS A 856 37.446 12.671 43.376 1.00100.87 N ATOM 2266 HZ1 LYS A 856 37.735 11.789 42.907 1.00 0.00 H ATOM 2267 HZ2 LYS A 856 37.734 13.485 42.796 1.00 0.00 H ATOM 2268 HZ3 LYS A 856 37.898 12.732 44.311 1.00 0.00 H ATOM 2269 H LYS A 856 32.010 12.069 39.190 1.00 0.00 H ATOM 2270 N LEU A 857 34.033 9.705 37.894 1.00 58.61 N ATOM 2271 CA LEU A 857 34.574 8.687 37.005 1.00 57.88 C ATOM 2272 C LEU A 857 35.236 9.324 35.791 1.00 57.05 C ATOM 2273 O LEU A 857 36.336 8.930 35.409 1.00 58.63 O ATOM 2274 CB LEU A 857 33.480 7.707 36.560 1.00 58.34 C ATOM 2275 CG LEU A 857 33.933 6.487 35.743 1.00 57.00 C ATOM 2276 CD1 LEU A 857 34.840 5.578 36.560 1.00 56.40 C ATOM 2277 CD2 LEU A 857 32.722 5.727 35.234 1.00 55.73 C ATOM 2278 H LEU A 857 33.009 9.732 38.075 1.00 0.00 H ATOM 2279 N LEU A 858 34.570 10.311 35.197 1.00 56.68 N ATOM 2280 CA LEU A 858 35.114 11.003 34.035 1.00 59.29 C ATOM 2281 C LEU A 858 36.454 11.642 34.364 1.00 64.76 C ATOM 2282 O LEU A 858 37.409 11.484 33.609 1.00 67.54 O ATOM 2283 CB LEU A 858 34.129 12.052 33.511 1.00 58.62 C ATOM 2284 CG LEU A 858 34.562 12.917 32.319 1.00 58.43 C ATOM 2285 CD1 LEU A 858 35.078 12.078 31.159 1.00 59.29 C ATOM 2286 CD2 LEU A 858 33.402 13.791 31.867 1.00 57.89 C ATOM 2287 H LEU A 858 33.641 10.595 35.570 1.00 0.00 H ATOM 2288 N GLU A 859 36.533 12.325 35.504 1.00 69.33 N ATOM 2289 CA GLU A 859 37.769 13.012 35.904 1.00 77.23 C ATOM 2290 C GLU A 859 38.960 12.078 36.156 1.00 74.36 C ATOM 2291 O GLU A 859 40.101 12.515 36.043 1.00 76.85 O ATOM 2292 CB GLU A 859 37.548 13.905 37.143 1.00 83.33 C ATOM 2293 CG GLU A 859 36.565 15.072 36.987 1.00 89.39 C ATOM 2294 CD GLU A 859 36.690 15.841 35.674 1.00 94.92 C ATOM 2295 OE1 GLU A 859 37.645 16.637 35.527 1.00103.70 O ATOM 2296 OE2 GLU A 859 35.815 15.668 34.797 1.00 89.31 O ATOM 2297 H GLU A 859 35.701 12.373 36.126 1.00 0.00 H ATOM 2298 N SER A 860 38.697 10.815 36.489 1.00 72.98 N ATOM 2299 CA SER A 860 39.753 9.815 36.716 1.00 72.91 C ATOM 2300 C SER A 860 40.372 9.166 35.458 1.00 74.31 C ATOM 2301 O SER A 860 41.231 8.296 35.593 1.00 78.81 O ATOM 2302 CB SER A 860 39.216 8.695 37.612 1.00 71.99 C ATOM 2303 OG SER A 860 38.415 7.791 36.866 1.00 71.18 O ATOM 2304 HG SER A 860 37.649 8.279 36.471 1.00 0.00 H ATOM 2305 H SER A 860 37.704 10.524 36.593 1.00 0.00 H ATOM 2306 N LEU A 861 39.941 9.555 34.257 1.00 75.33 N ATOM 2307 CA LEU A 861 40.486 8.990 33.013 1.00 74.52 C ATOM 2308 C LEU A 861 41.631 9.835 32.463 1.00 76.02 C ATOM 2309 O LEU A 861 42.528 9.316 31.797 1.00 76.05 O ATOM 2310 CB LEU A 861 39.387 8.869 31.958 1.00 73.13 C ATOM 2311 CG LEU A 861 38.098 8.148 32.375 1.00 72.35 C ATOM 2312 CD1 LEU A 861 37.148 8.097 31.191 1.00 71.34 C ATOM 2313 CD2 LEU A 861 38.348 6.744 32.914 1.00 70.55 C ATOM 2314 H LEU A 861 39.197 10.280 34.198 1.00 0.00 H TER 2315 LEU A 861 HETATM 2316 O HOH 1 21.047 20.871 24.499 1.00 44.51 O HETATM 2317 O HOH 2 11.426 -2.635 31.392 1.00 34.86 O HETATM 2318 O HOH 3 22.964 -2.035 17.285 1.00 42.15 O HETATM 2319 O HOH 4 18.079 -3.665 33.634 1.00 30.36 O HETATM 2320 O HOH 5 5.663 28.324 6.470 1.00 53.65 O HETATM 2321 O HOH 6 19.847 29.791 12.507 1.00 52.86 O HETATM 2322 O HOH 7 16.282 5.213 22.610 1.00 35.45 O HETATM 2323 O HOH 8 14.004 -2.053 31.756 1.00 37.85 O HETATM 2324 O HOH 9 22.160 19.727 37.436 1.00 42.35 O HETATM 2325 O HOH 10 20.618 8.623 46.569 1.00 36.67 O HETATM 2326 O HOH 11 28.858 7.887 45.702 1.00 54.20 O HETATM 2327 O HOH 12 16.520 12.214 41.853 1.00 47.31 O HETATM 2328 O HOH 13 17.607 23.758 24.502 1.00 46.37 O HETATM 2329 O HOH 14 13.469 -14.853 29.042 1.00 48.55 O HETATM 2330 O HOH 15 20.348 -4.108 18.920 1.00 35.30 O HETATM 2331 O HOH 16 21.173 -7.615 28.379 1.00 25.13 O HETATM 2332 O HOH 17 16.551 -2.218 51.373 1.00 64.20 O HETATM 2333 O HOH 18 17.820 8.138 47.623 1.00 52.07 O HETATM 2334 O HOH 19 -5.312 32.861 31.922 1.00 65.30 O HETATM 2335 C6 UNN A 20 10.596 13.807 18.764 1.00 0.05 C HETATM 2336 C7 UNN A 20 10.339 13.646 17.260 1.00 0.07 C HETATM 2337 O8 UNN A 20 11.582 13.544 16.542 1.00 -0.36 O HETATM 2338 C9 UNN A 20 12.446 14.684 16.628 1.00 0.11 C HETATM 2339 C11 UNN A 20 12.867 14.893 18.086 1.00 0.06 C HETATM 2340 N5 UNN A 20 11.798 14.618 19.080 1.00 -0.23 N HETATM 2341 S2 UNN A 20 11.999 15.203 20.623 1.00 0.04 S HETATM 2342 C1 UNN A 20 13.116 13.966 21.317 1.00 0.07 C HETATM 2343 H9 UNN A 20 12.592 13.002 21.395 1.00 0.05 H HETATM 2344 H10 UNN A 20 13.443 14.287 22.317 1.00 0.05 H HETATM 2345 H11 UNN A 20 13.993 13.855 20.662 1.00 0.05 H HETATM 2346 O3 UNN A 20 10.732 15.150 21.266 1.00 -0.16 O HETATM 2347 O4 UNN A 20 12.722 16.421 20.545 1.00 -0.16 O HETATM 2348 H13 UNN A 20 13.714 14.224 18.298 1.00 0.05 H HETATM 2349 H14 UNN A 20 13.186 15.939 18.205 1.00 0.05 H HETATM 2350 C12 UNN A 20 13.705 14.456 15.834 1.00 0.02 C HETATM 2351 C13 UNN A 20 14.191 13.231 15.609 1.00 0.00 C HETATM 2352 S14 UNN A 20 15.686 13.398 14.678 1.00 -0.03 S HETATM 2353 C15 UNN A 20 15.485 15.139 14.673 1.00 0.10 C HETATM 2354 C17 UNN A 20 16.442 16.059 14.023 1.00 0.04 C HETATM 2355 C22 UNN A 20 16.481 17.414 14.406 1.00 0.09 C HETATM 2356 C21 UNN A 20 17.422 18.246 13.774 1.00 -0.03 C HETATM 2357 C20 UNN A 20 18.278 17.756 12.784 1.00 -0.07 C HETATM 2358 C19 UNN A 20 18.219 16.413 12.413 1.00 -0.07 C HETATM 2359 C18 UNN A 20 17.309 15.570 13.027 1.00 -0.06 C HETATM 2360 H15 UNN A 20 17.263 14.526 12.739 1.00 0.06 H HETATM 2361 H16 UNN A 20 18.883 16.031 11.646 1.00 0.05 H HETATM 2362 H6 UNN A 20 18.988 18.420 12.304 1.00 0.06 H HETATM 2363 H7 UNN A 20 17.485 19.290 14.061 1.00 0.05 H HETATM 2364 N23 UNN A 20 15.612 17.811 15.444 1.00 -0.22 N HETATM 2365 C24 UNN A 20 15.621 18.959 16.164 1.00 0.28 C HETATM 2366 C26 UNN A 20 14.659 19.107 17.258 1.00 0.22 C HETATM 2367 N27 UNN A 20 13.689 18.266 17.557 1.00 -0.31 N HETATM 2368 C28 UNN A 20 13.038 18.719 18.629 1.00 -0.01 C HETATM 2369 C29 UNN A 20 13.621 19.880 19.026 1.00 0.04 C HETATM 2370 N30 UNN A 20 14.659 20.125 18.176 1.00 -0.25 N HETATM 2371 H19 UNN A 20 15.314 20.919 18.216 1.00 0.24 H HETATM 2372 H18 UNN A 20 13.316 20.500 19.867 1.00 0.09 H HETATM 2373 H8 UNN A 20 12.184 18.240 19.105 1.00 0.05 H HETATM 2374 O25 UNN A 20 16.380 19.881 15.952 1.00 -0.36 O HETATM 2375 H17 UNN A 20 14.893 17.157 15.680 1.00 0.23 H HETATM 2376 N16 UNN A 20 14.402 15.454 15.337 1.00 -0.31 N HETATM 2377 H5 UNN A 20 13.745 12.295 15.941 1.00 0.06 H HETATM 2378 H12 UNN A 20 11.920 15.574 16.252 1.00 0.07 H HETATM 2379 H3 UNN A 20 9.780 14.520 16.893 1.00 0.06 H HETATM 2380 H4 UNN A 20 9.747 12.734 17.090 1.00 0.06 H HETATM 2381 H1 UNN A 20 10.726 12.807 19.203 1.00 0.05 H HETATM 2382 H2 UNN A 20 9.720 14.294 19.216 1.00 0.05 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 396 397 404 405 406 CONECT 404 396 CONECT 405 396 CONECT 406 396 CONECT 1384 1385 1392 1393 1394 CONECT 1392 1384 CONECT 1393 1384 CONECT 1394 1384 CONECT 1474 1475 1482 1483 1484 CONECT 1482 1474 CONECT 1483 1474 CONECT 1484 1474 CONECT 2335 2336 2340 2381 2382 CONECT 2336 2335 2337 2379 2380 CONECT 2337 2336 2338 CONECT 2338 2337 2339 2350 2378 CONECT 2339 2338 2340 2348 2349 CONECT 2340 2335 2339 2341 CONECT 2341 2340 2342 2346 2347 CONECT 2342 2341 2343 2344 2345 CONECT 2343 2342 CONECT 2344 2342 CONECT 2345 2342 CONECT 2346 2341 CONECT 2347 2341 CONECT 2348 2339 CONECT 2349 2339 CONECT 2350 2338 2351 2376 CONECT 2351 2350 2352 2377 CONECT 2352 2351 2353 CONECT 2353 2352 2354 2376 CONECT 2354 2353 2355 2359 CONECT 2355 2354 2356 2364 CONECT 2356 2355 2357 2363 CONECT 2357 2356 2358 2362 CONECT 2358 2357 2359 2361 CONECT 2359 2354 2358 2360 CONECT 2360 2359 CONECT 2361 2358 CONECT 2362 2357 CONECT 2363 2356 CONECT 2364 2355 2365 2375 CONECT 2365 2364 2366 2374 CONECT 2366 2365 2367 2370 CONECT 2367 2366 2368 CONECT 2368 2367 2369 2373 CONECT 2369 2368 2370 2372 CONECT 2370 2366 2369 2371 CONECT 2371 2370 CONECT 2372 2369 CONECT 2373 2368 CONECT 2374 2365 CONECT 2375 2364 CONECT 2376 2350 2353 CONECT 2377 2351 CONECT 2378 2338 CONECT 2379 2336 CONECT 2380 2336 CONECT 2381 2335 CONECT 2382 2335 MASTER 0 0 0 0 0 0 0 0 2378 4 64 20 END
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Protein Sequence Similarity
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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
5tc0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase Mer
Ligand Name
79Y
EC.Number
E.C.-.-.-.-
Resolution
2.24(Å)
Affinity (Kd/Ki/IC50)
IC50=25nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Bioorg. Med. Chem. Lett. Vol. 27: pp. 1099-1104
Ligand Properties
Formula
C
1
8
H
1
9
N
5
O
4
S
2
Molecular Weight
433.505
Exact Mass
433.088
No. of atoms
48
No. of bonds
51
Polar Surface Area
153.9
LOGP Value
0.70 (
Computed with XLOGP3
)
3.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=C(c1ncc[nH]1)Nc1ccccc1c1scc(n1)[C@H]1OCCN(C1)S(=O)(=O)C
InChI String
InChI=1S/C18H19N5O4S2/c1-29(25,26)23-8-9-27-15(10-23)14-11-28-18(22-14)12-4-2-3-5-13(12)21-17(24)16-19-6-7-20-16/h2-7,11,15H,8-10H2,1H3,(H,19,20)(H,21,24)/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):
Q12866
Entrez Gene ID
NCBI Entrez Gene ID:
10461
ASD
Information of known allosteric effects of PDB entries
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