Browse entries in the PDBbind-CN Database
HEADER 6NSP_COMPLEX COMPND 6NSP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ALA CYS VAL HIS HIS ILE LYS ARG ARG ASP ILE VAL LEU SEQRES 2 A 109 LYS TRP GLU LEU GLY GLU GLY ALA PHE GLY LYS VAL PHE SEQRES 3 A 109 LEU ALA GLU CYS HIS ASN LEU LEU PRO GLU GLN ASP LYS SEQRES 4 A 109 MET LEU VAL ALA VAL LYS ALA LEU LYS GLU ALA SER GLU SEQRES 5 A 109 SER ALA ARG GLN ASP PHE GLN ARG GLU ALA GLU LEU LEU SEQRES 6 A 109 THR MET LEU GLN HIS GLN HIS ILE VAL ARG PHE PHE GLY SEQRES 7 A 109 VAL CYS THR GLU GLY ARG PRO LEU LEU MET VAL PHE GLU SEQRES 8 A 109 TYR MET ARG HIS GLY ASP LEU ASN ARG PHE LEU ARG SER SEQRES 9 A 109 HIS GLY PRO ASP ALA SEQRES 1 A 184 ALA GLY GLY GLU ASP VAL ALA PRO GLY PRO LEU GLY LEU SEQRES 2 A 184 GLY GLN LEU LEU ALA VAL ALA SER GLN VAL ALA ALA GLY SEQRES 3 A 184 MET VAL TYR LEU ALA GLY LEU HIS PHE VAL HIS ARG ASP SEQRES 4 A 184 LEU ALA THR ARG ASN CYS LEU VAL GLY GLN GLY LEU VAL SEQRES 5 A 184 VAL LYS ILE GLY ASP PHE GLY MET SER ARG ASP ILE TYR SEQRES 6 A 184 SER THR ASP TYR TYR ARG VAL GLY GLY ARG THR MET LEU SEQRES 7 A 184 PRO ILE ARG TRP MET PRO PRO GLU SER ILE LEU TYR ARG SEQRES 8 A 184 LYS PHE THR THR GLU SER ASP VAL TRP SER PHE GLY VAL SEQRES 9 A 184 VAL LEU TRP GLU ILE PHE THR TYR GLY LYS GLN PRO TRP SEQRES 10 A 184 TYR GLN LEU SER ASN THR GLU ALA ILE ASP CYS ILE THR SEQRES 11 A 184 GLN GLY ARG GLU LEU GLU ARG PRO ARG ALA CYS PRO PRO SEQRES 12 A 184 GLU VAL TYR ALA ILE MET ARG GLY CYS TRP GLN ARG GLU SEQRES 13 A 184 PRO GLN GLN ARG HIS SER ILE LYS ASP VAL HIS ALA ARG SEQRES 14 A 184 LEU GLN ALA LEU ALA GLN ALA PRO PRO VAL TYR LEU ASP SEQRES 15 A 184 VAL LEU HET L A 0P 51 ATOM 1 N ALA A 500 21.700 27.389 31.168 1.00102.65 N ATOM 2 CA ALA A 500 21.746 27.187 29.697 1.00 99.17 C ATOM 3 C ALA A 500 23.202 26.987 29.233 1.00 98.24 C ATOM 4 O ALA A 500 23.900 27.999 28.949 1.00 88.72 O ATOM 5 CB ALA A 500 21.069 28.343 28.993 1.00 98.88 C ATOM 6 HN3 ALA A 500 22.257 28.231 31.419 1.00 0.00 H ATOM 7 HN2 ALA A 500 22.098 26.554 31.644 1.00 0.00 H ATOM 8 HN1 ALA A 500 20.713 27.523 31.468 1.00 0.00 H ATOM 9 N CYS A 501 23.636 25.712 29.228 1.00 94.17 N ATOM 10 CA CYS A 501 24.726 25.115 28.390 1.00 86.93 C ATOM 11 C CYS A 501 24.162 24.821 26.984 1.00 72.86 C ATOM 12 O CYS A 501 24.901 24.376 26.071 1.00 69.67 O ATOM 13 CB CYS A 501 25.243 23.818 29.013 1.00 91.91 C ATOM 14 SG CYS A 501 24.673 23.518 30.712 1.00101.31 S ATOM 15 H CYS A 501 23.157 25.063 29.885 1.00 0.00 H ATOM 16 N VAL A 502 22.864 25.048 26.851 1.00 61.03 N ATOM 17 CA VAL A 502 22.041 24.924 25.617 1.00 59.49 C ATOM 18 C VAL A 502 22.574 25.885 24.537 1.00 55.16 C ATOM 19 O VAL A 502 22.682 27.070 24.819 1.00 55.87 O ATOM 20 CB VAL A 502 20.575 25.225 25.988 1.00 58.04 C ATOM 21 CG1 VAL A 502 19.622 24.896 24.863 1.00 61.79 C ATOM 22 CG2 VAL A 502 20.153 24.473 27.251 1.00 59.89 C ATOM 23 H VAL A 502 22.360 25.348 27.710 1.00 0.00 H ATOM 24 N HIS A 503 22.944 25.374 23.346 1.00 51.95 N ATOM 25 CA HIS A 503 23.263 26.185 22.126 1.00 51.03 C ATOM 26 C HIS A 503 21.961 26.869 21.670 1.00 48.42 C ATOM 27 O HIS A 503 20.867 26.227 21.820 1.00 47.48 O ATOM 28 CB HIS A 503 23.972 25.366 21.008 1.00 49.54 C ATOM 29 CG HIS A 503 24.540 26.193 19.880 1.00 51.23 C ATOM 30 ND1 HIS A 503 24.313 25.897 18.534 1.00 47.23 N ATOM 31 CD2 HIS A 503 25.312 27.313 19.876 1.00 51.25 C ATOM 32 CE1 HIS A 503 24.903 26.795 17.775 1.00 47.61 C ATOM 33 NE2 HIS A 503 25.515 27.675 18.567 1.00 48.50 N ATOM 34 H HIS A 503 23.013 24.339 23.267 1.00 0.00 H ATOM 35 N HIS A 504 22.072 28.143 21.248 1.00 47.18 N ATOM 36 CA HIS A 504 20.962 28.989 20.728 1.00 43.73 C ATOM 37 C HIS A 504 21.231 29.198 19.247 1.00 41.65 C ATOM 38 O HIS A 504 22.420 29.182 18.874 1.00 45.38 O ATOM 39 CB HIS A 504 20.833 30.325 21.466 1.00 43.47 C ATOM 40 CG HIS A 504 20.322 30.152 22.853 1.00 47.53 C ATOM 41 ND1 HIS A 504 19.082 30.625 23.261 1.00 47.72 N ATOM 42 CD2 HIS A 504 20.852 29.491 23.911 1.00 48.99 C ATOM 43 CE1 HIS A 504 18.886 30.270 24.522 1.00 51.17 C ATOM 44 NE2 HIS A 504 19.962 29.579 24.944 1.00 50.39 N ATOM 45 H HIS A 504 23.017 28.575 21.289 1.00 0.00 H ATOM 46 N ILE A 505 20.169 29.216 18.460 1.00 38.42 N ATOM 47 CA ILE A 505 20.197 29.401 16.991 1.00 42.01 C ATOM 48 C ILE A 505 19.191 30.514 16.728 1.00 44.79 C ATOM 49 O ILE A 505 18.089 30.445 17.318 1.00 43.30 O ATOM 50 CB ILE A 505 19.848 28.110 16.225 1.00 43.17 C ATOM 51 CG1 ILE A 505 20.724 26.923 16.630 1.00 46.11 C ATOM 52 CG2 ILE A 505 19.916 28.318 14.731 1.00 42.24 C ATOM 53 CD1 ILE A 505 20.031 25.613 16.497 1.00 44.39 C ATOM 54 H ILE A 505 19.239 29.090 18.909 1.00 0.00 H ATOM 55 N LYS A 506 19.615 31.547 15.989 1.00 45.18 N ATOM 56 CA LYS A 506 18.800 32.738 15.633 1.00 46.44 C ATOM 57 C LYS A 506 17.672 32.309 14.700 1.00 43.26 C ATOM 58 O LYS A 506 17.914 31.471 13.810 1.00 45.05 O ATOM 59 CB LYS A 506 19.692 33.804 14.985 1.00 51.17 C ATOM 60 CG LYS A 506 20.718 34.398 15.951 1.00 58.04 C ATOM 61 CD LYS A 506 21.232 35.787 15.560 1.00 60.73 C ATOM 62 CE LYS A 506 20.203 36.886 15.692 1.00 62.78 C ATOM 63 NZ LYS A 506 19.926 37.216 17.105 1.00 67.49 N ATOM 64 HZ1 LYS A 506 19.565 36.371 17.593 1.00 0.00 H ATOM 65 HZ2 LYS A 506 20.803 37.534 17.564 1.00 0.00 H ATOM 66 HZ3 LYS A 506 19.215 37.974 17.150 1.00 0.00 H ATOM 67 H LYS A 506 20.593 31.513 15.636 1.00 0.00 H ATOM 68 N ARG A 507 16.500 32.884 14.870 1.00 42.48 N ATOM 69 CA ARG A 507 15.301 32.516 14.099 1.00 46.96 C ATOM 70 C ARG A 507 15.603 32.655 12.601 1.00 50.12 C ATOM 71 O ARG A 507 15.055 31.859 11.834 1.00 49.26 O ATOM 72 CB ARG A 507 14.100 33.337 14.567 1.00 49.26 C ATOM 73 CG ARG A 507 12.756 32.921 13.975 1.00 55.82 C ATOM 74 CD ARG A 507 12.292 31.532 14.394 1.00 62.67 C ATOM 75 NE ARG A 507 11.118 31.008 13.665 1.00 68.00 N ATOM 76 CZ ARG A 507 11.125 30.581 12.384 1.00 68.13 C ATOM 77 NH1 ARG A 507 12.237 30.632 11.662 1.00 64.10 N ATOM 78 NH2 ARG A 507 10.012 30.121 11.825 1.00 64.44 N ATOM 79 HE ARG A 507 10.215 30.965 14.179 1.00 0.00 H ATOM 80 HH12 ARG A 507 12.233 30.301 10.676 1.00 0.00 H ATOM 81 HH11 ARG A 507 13.113 31.003 12.082 1.00 0.00 H ATOM 82 HH22 ARG A 507 10.023 29.793 10.838 1.00 0.00 H ATOM 83 HH21 ARG A 507 9.129 30.088 12.374 1.00 0.00 H ATOM 84 H ARG A 507 16.417 33.635 15.584 1.00 0.00 H ATOM 85 N ARG A 508 16.463 33.580 12.173 1.00 50.04 N ATOM 86 CA ARG A 508 16.569 33.891 10.729 1.00 52.17 C ATOM 87 C ARG A 508 17.363 32.783 10.023 1.00 51.20 C ATOM 88 O ARG A 508 17.127 32.601 8.827 1.00 50.37 O ATOM 89 CB ARG A 508 17.172 35.274 10.484 1.00 57.84 C ATOM 90 CG ARG A 508 18.649 35.414 10.820 1.00 63.04 C ATOM 91 CD ARG A 508 19.026 36.886 10.701 1.00 74.95 C ATOM 92 NE ARG A 508 20.196 37.224 11.512 1.00 87.51 N ATOM 93 CZ ARG A 508 20.381 38.374 12.174 1.00 92.31 C ATOM 94 NH1 ARG A 508 19.460 39.325 12.145 1.00 95.80 N ATOM 95 NH2 ARG A 508 21.486 38.561 12.882 1.00 94.67 N ATOM 96 HE ARG A 508 20.949 36.510 11.580 1.00 0.00 H ATOM 97 HH12 ARG A 508 19.614 40.214 12.663 1.00 0.00 H ATOM 98 HH11 ARG A 508 18.583 39.183 11.605 1.00 0.00 H ATOM 99 HH22 ARG A 508 21.630 39.454 13.396 1.00 0.00 H ATOM 100 HH21 ARG A 508 22.209 37.815 12.924 1.00 0.00 H ATOM 101 H ARG A 508 17.062 34.085 12.857 1.00 0.00 H ATOM 102 N ASP A 509 18.246 32.091 10.750 1.00 45.84 N ATOM 103 CA ASP A 509 19.070 30.952 10.273 1.00 47.53 C ATOM 104 C ASP A 509 18.250 29.663 10.058 1.00 43.43 C ATOM 105 O ASP A 509 18.882 28.688 9.623 1.00 44.01 O ATOM 106 CB ASP A 509 20.216 30.678 11.253 1.00 49.86 C ATOM 107 CG ASP A 509 21.287 31.765 11.248 1.00 52.31 C ATOM 108 OD1 ASP A 509 21.403 32.485 10.203 1.00 48.25 O ATOM 109 OD2 ASP A 509 21.998 31.861 12.279 1.00 52.26 O ATOM 110 H ASP A 509 18.367 32.377 11.742 1.00 0.00 H ATOM 111 N ILE A 510 16.941 29.672 10.351 1.00 41.15 N ATOM 112 CA ILE A 510 15.983 28.546 10.208 1.00 41.63 C ATOM 113 C ILE A 510 14.895 28.935 9.236 1.00 41.37 C ATOM 114 O ILE A 510 14.206 29.910 9.497 1.00 40.94 O ATOM 115 CB ILE A 510 15.333 28.175 11.532 1.00 43.27 C ATOM 116 CG1 ILE A 510 16.383 27.730 12.542 1.00 47.62 C ATOM 117 CG2 ILE A 510 14.251 27.126 11.306 1.00 43.40 C ATOM 118 CD1 ILE A 510 15.819 27.703 13.923 1.00 51.94 C ATOM 119 H ILE A 510 16.555 30.565 10.718 1.00 0.00 H ATOM 120 N VAL A 511 14.768 28.176 8.151 1.00 40.31 N ATOM 121 CA VAL A 511 13.687 28.387 7.177 1.00 39.22 C ATOM 122 C VAL A 511 12.908 27.078 7.047 1.00 40.62 C ATOM 123 O VAL A 511 13.477 26.067 6.536 1.00 39.95 O ATOM 124 CB VAL A 511 14.274 28.857 5.858 1.00 41.69 C ATOM 125 CG1 VAL A 511 13.148 29.113 4.880 1.00 43.39 C ATOM 126 CG2 VAL A 511 15.171 30.076 6.062 1.00 40.44 C ATOM 127 H VAL A 511 15.453 27.411 7.987 1.00 0.00 H ATOM 128 N LEU A 512 11.669 27.116 7.530 1.00 35.72 N ATOM 129 CA LEU A 512 10.743 25.990 7.575 1.00 39.48 C ATOM 130 C LEU A 512 10.386 25.698 6.138 1.00 41.70 C ATOM 131 O LEU A 512 10.254 26.656 5.388 1.00 39.69 O ATOM 132 CB LEU A 512 9.531 26.389 8.383 1.00 40.01 C ATOM 133 CG LEU A 512 9.804 26.837 9.810 1.00 41.19 C ATOM 134 CD1 LEU A 512 8.478 27.117 10.502 1.00 46.52 C ATOM 135 CD2 LEU A 512 10.585 25.815 10.602 1.00 39.18 C ATOM 136 H LEU A 512 11.332 28.025 7.907 1.00 0.00 H ATOM 137 N LYS A 513 10.414 24.425 5.748 1.00 40.83 N ATOM 138 CA LYS A 513 10.011 24.023 4.387 1.00 37.28 C ATOM 139 C LYS A 513 8.606 23.409 4.477 1.00 36.91 C ATOM 140 O LYS A 513 7.718 23.782 3.707 1.00 38.40 O ATOM 141 CB LYS A 513 11.089 23.082 3.894 1.00 39.82 C ATOM 142 CG LYS A 513 12.492 23.663 3.823 1.00 40.87 C ATOM 143 CD LYS A 513 13.517 22.596 3.410 1.00 42.81 C ATOM 144 CE LYS A 513 13.346 22.095 1.985 1.00 46.93 C ATOM 145 NZ LYS A 513 13.276 23.239 1.041 1.00 52.39 N ATOM 146 HZ1 LYS A 513 12.466 23.842 1.289 1.00 0.00 H ATOM 147 HZ2 LYS A 513 14.154 23.793 1.104 1.00 0.00 H ATOM 148 HZ3 LYS A 513 13.159 22.880 0.072 1.00 0.00 H ATOM 149 H LYS A 513 10.728 23.696 6.420 1.00 0.00 H ATOM 150 N TRP A 514 8.384 22.490 5.400 1.00 34.42 N ATOM 151 CA TRP A 514 7.061 21.834 5.511 1.00 37.00 C ATOM 152 C TRP A 514 7.043 20.935 6.737 1.00 36.87 C ATOM 153 O TRP A 514 8.098 20.496 7.202 1.00 38.20 O ATOM 154 CB TRP A 514 6.724 21.021 4.237 1.00 38.11 C ATOM 155 CG TRP A 514 7.808 20.110 3.724 1.00 41.06 C ATOM 156 CD1 TRP A 514 8.189 18.911 4.250 1.00 40.40 C ATOM 157 CD2 TRP A 514 8.707 20.359 2.626 1.00 42.73 C ATOM 158 NE1 TRP A 514 9.217 18.376 3.518 1.00 39.60 N ATOM 159 CE2 TRP A 514 9.585 19.249 2.546 1.00 40.38 C ATOM 160 CE3 TRP A 514 8.820 21.383 1.661 1.00 46.56 C ATOM 161 CZ2 TRP A 514 10.543 19.120 1.532 1.00 40.85 C ATOM 162 CZ3 TRP A 514 9.783 21.274 0.672 1.00 47.98 C ATOM 163 CH2 TRP A 514 10.613 20.138 0.596 1.00 45.26 C ATOM 164 HE1 TRP A 514 9.649 17.444 3.682 1.00 0.00 H ATOM 165 H TRP A 514 9.146 22.225 6.056 1.00 0.00 H ATOM 166 N GLU A 515 5.847 20.566 7.125 1.00 39.88 N ATOM 167 CA GLU A 515 5.560 19.666 8.244 1.00 44.49 C ATOM 168 C GLU A 515 5.998 18.235 7.883 1.00 42.81 C ATOM 169 O GLU A 515 5.916 17.878 6.720 1.00 43.35 O ATOM 170 CB GLU A 515 4.078 19.830 8.544 1.00 47.47 C ATOM 171 CG GLU A 515 3.662 19.216 9.860 1.00 55.48 C ATOM 172 CD GLU A 515 2.194 19.401 10.210 1.00 56.06 C ATOM 173 OE1 GLU A 515 1.829 19.034 11.312 1.00 64.72 O ATOM 174 OE2 GLU A 515 1.420 19.856 9.352 1.00 66.63 O ATOM 175 H GLU A 515 5.035 20.943 6.595 1.00 0.00 H ATOM 176 N LEU A 516 6.486 17.503 8.888 1.00 44.02 N ATOM 177 CA LEU A 516 6.794 16.050 8.899 1.00 46.78 C ATOM 178 C LEU A 516 5.779 15.333 9.787 1.00 49.02 C ATOM 179 O LEU A 516 5.419 14.218 9.427 1.00 57.93 O ATOM 180 CB LEU A 516 8.229 15.808 9.396 1.00 43.76 C ATOM 181 CG LEU A 516 9.344 16.343 8.492 1.00 44.84 C ATOM 182 CD1 LEU A 516 10.724 16.111 9.076 1.00 44.68 C ATOM 183 CD2 LEU A 516 9.269 15.782 7.085 1.00 46.96 C ATOM 184 H LEU A 516 6.674 18.014 9.774 1.00 0.00 H ATOM 185 N GLY A 517 5.283 15.962 10.857 1.00 53.00 N ATOM 186 CA GLY A 517 4.529 15.253 11.909 1.00 54.17 C ATOM 187 C GLY A 517 3.976 16.213 12.938 1.00 58.31 C ATOM 188 O GLY A 517 4.511 17.328 13.026 1.00 47.85 O ATOM 189 H GLY A 517 5.434 16.987 10.951 1.00 0.00 H ATOM 190 N GLU A 518 3.001 15.740 13.724 1.00 62.03 N ATOM 191 CA GLU A 518 2.036 16.534 14.531 1.00 65.02 C ATOM 192 C GLU A 518 1.666 15.694 15.760 1.00 68.76 C ATOM 193 O GLU A 518 1.463 14.455 15.603 1.00 57.96 O ATOM 194 CB GLU A 518 0.806 16.861 13.674 1.00 70.08 C ATOM 195 CG GLU A 518 0.029 18.080 14.128 1.00 82.05 C ATOM 196 CD GLU A 518 -0.649 18.888 13.025 1.00 96.47 C ATOM 197 OE1 GLU A 518 -1.279 18.269 12.126 1.00 99.34 O ATOM 198 OE2 GLU A 518 -0.533 20.148 13.046 1.00105.64 O ATOM 199 H GLU A 518 2.908 14.705 13.776 1.00 0.00 H ATOM 200 N GLY A 519 1.657 16.338 16.932 1.00 70.27 N ATOM 201 CA GLY A 519 1.250 15.788 18.235 1.00 71.82 C ATOM 202 C GLY A 519 0.457 16.801 19.055 1.00 76.17 C ATOM 203 O GLY A 519 0.270 17.948 18.565 1.00 76.09 O ATOM 204 H GLY A 519 1.970 17.330 16.922 1.00 0.00 H ATOM 205 N ALA A 520 -0.015 16.378 20.236 1.00 77.09 N ATOM 206 CA ALA A 520 -0.613 17.216 21.311 1.00 82.81 C ATOM 207 C ALA A 520 0.342 18.350 21.732 1.00 81.30 C ATOM 208 O ALA A 520 -0.118 19.454 21.871 1.00 78.58 O ATOM 209 CB ALA A 520 -0.980 16.349 22.504 1.00 83.89 C ATOM 210 H ALA A 520 0.043 15.356 20.421 1.00 0.00 H ATOM 211 N PHE A 521 1.644 18.116 21.896 1.00 82.92 N ATOM 212 CA PHE A 521 2.562 19.133 22.480 1.00 85.97 C ATOM 213 C PHE A 521 3.355 19.916 21.416 1.00 79.45 C ATOM 214 O PHE A 521 4.127 20.817 21.839 1.00 65.28 O ATOM 215 CB PHE A 521 3.466 18.454 23.510 1.00 91.58 C ATOM 216 CG PHE A 521 2.666 17.778 24.589 1.00100.39 C ATOM 217 CD1 PHE A 521 1.917 18.537 25.481 1.00103.54 C ATOM 218 CD2 PHE A 521 2.597 16.390 24.665 1.00102.56 C ATOM 219 CE1 PHE A 521 1.155 17.919 26.462 1.00109.82 C ATOM 220 CE2 PHE A 521 1.830 15.773 25.644 1.00102.75 C ATOM 221 CZ PHE A 521 1.118 16.539 26.546 1.00108.82 C ATOM 222 H PHE A 521 2.031 17.195 21.607 1.00 0.00 H ATOM 223 N GLY A 522 3.196 19.618 20.114 1.00 71.11 N ATOM 224 CA GLY A 522 4.003 20.284 19.078 1.00 63.41 C ATOM 225 C GLY A 522 3.856 19.712 17.680 1.00 58.16 C ATOM 226 O GLY A 522 3.174 18.718 17.492 1.00 60.40 O ATOM 227 H GLY A 522 2.492 18.906 19.835 1.00 0.00 H ATOM 228 N LYS A 523 4.496 20.383 16.732 1.00 51.82 N ATOM 229 CA LYS A 523 4.684 19.972 15.330 1.00 49.04 C ATOM 230 C LYS A 523 6.171 19.836 15.049 1.00 42.01 C ATOM 231 O LYS A 523 6.916 20.507 15.691 1.00 40.14 O ATOM 232 CB LYS A 523 4.173 21.069 14.411 1.00 51.53 C ATOM 233 CG LYS A 523 2.673 21.129 14.317 1.00 56.13 C ATOM 234 CD LYS A 523 2.224 22.383 13.684 1.00 59.30 C ATOM 235 CE LYS A 523 0.740 22.610 13.836 1.00 64.07 C ATOM 236 NZ LYS A 523 0.509 23.871 14.563 1.00 66.60 N ATOM 237 HZ1 LYS A 523 0.950 23.814 15.503 1.00 0.00 H ATOM 238 HZ2 LYS A 523 0.928 24.659 14.030 1.00 0.00 H ATOM 239 HZ3 LYS A 523 -0.514 24.027 14.668 1.00 0.00 H ATOM 240 H LYS A 523 4.909 21.297 17.008 1.00 0.00 H ATOM 241 N VAL A 524 6.529 19.046 14.044 1.00 42.13 N ATOM 242 CA VAL A 524 7.906 18.807 13.542 1.00 39.85 C ATOM 243 C VAL A 524 7.879 19.279 12.124 1.00 37.20 C ATOM 244 O VAL A 524 6.993 18.866 11.398 1.00 40.81 O ATOM 245 CB VAL A 524 8.347 17.333 13.622 1.00 43.79 C ATOM 246 CG1 VAL A 524 9.784 17.105 13.204 1.00 42.94 C ATOM 247 CG2 VAL A 524 8.149 16.795 15.012 1.00 43.31 C ATOM 248 H VAL A 524 5.763 18.540 13.556 1.00 0.00 H ATOM 249 N PHE A 525 8.817 20.143 11.782 1.00 33.66 N ATOM 250 CA PHE A 525 9.012 20.626 10.418 1.00 32.06 C ATOM 251 C PHE A 525 10.371 20.153 9.901 1.00 32.17 C ATOM 252 O PHE A 525 11.346 20.042 10.633 1.00 30.77 O ATOM 253 CB PHE A 525 8.966 22.156 10.387 1.00 33.35 C ATOM 254 CG PHE A 525 7.606 22.728 10.721 1.00 35.73 C ATOM 255 CD1 PHE A 525 7.222 22.947 12.041 1.00 35.04 C ATOM 256 CD2 PHE A 525 6.703 23.006 9.714 1.00 36.72 C ATOM 257 CE1 PHE A 525 5.986 23.497 12.337 1.00 39.19 C ATOM 258 CE2 PHE A 525 5.440 23.508 10.019 1.00 41.49 C ATOM 259 CZ PHE A 525 5.096 23.790 11.323 1.00 41.02 C ATOM 260 H PHE A 525 9.452 20.499 12.525 1.00 0.00 H ATOM 261 N LEU A 526 10.440 19.982 8.601 1.00 30.63 N ATOM 262 CA LEU A 526 11.732 20.037 7.940 1.00 35.21 C ATOM 263 C LEU A 526 12.108 21.487 7.664 1.00 33.70 C ATOM 264 O LEU A 526 11.255 22.193 7.204 1.00 32.04 O ATOM 265 CB LEU A 526 11.613 19.272 6.632 1.00 37.01 C ATOM 266 CG LEU A 526 12.894 19.264 5.849 1.00 41.18 C ATOM 267 CD1 LEU A 526 13.843 18.292 6.510 1.00 43.71 C ATOM 268 CD2 LEU A 526 12.607 18.886 4.416 1.00 44.75 C ATOM 269 H LEU A 526 9.576 19.808 8.049 1.00 0.00 H ATOM 270 N ALA A 527 13.366 21.849 7.921 1.00 33.46 N ATOM 271 CA ALA A 527 13.902 23.199 7.746 1.00 35.48 C ATOM 272 C ALA A 527 15.318 23.164 7.152 1.00 34.76 C ATOM 273 O ALA A 527 16.025 22.142 7.221 1.00 34.16 O ATOM 274 CB ALA A 527 13.842 23.942 9.063 1.00 33.71 C ATOM 275 H ALA A 527 14.015 21.116 8.272 1.00 0.00 H ATOM 276 N GLU A 528 15.689 24.263 6.548 1.00 38.70 N ATOM 277 CA GLU A 528 17.093 24.609 6.218 1.00 47.10 C ATOM 278 C GLU A 528 17.625 25.386 7.423 1.00 46.14 C ATOM 279 O GLU A 528 16.874 26.270 7.952 1.00 50.97 O ATOM 280 CB GLU A 528 17.162 25.432 4.924 1.00 52.85 C ATOM 281 CG GLU A 528 17.056 24.625 3.634 1.00 63.85 C ATOM 282 CD GLU A 528 16.527 25.371 2.400 1.00 75.67 C ATOM 283 OE1 GLU A 528 16.359 26.632 2.471 1.00 84.90 O ATOM 284 OE2 GLU A 528 16.267 24.697 1.364 1.00 74.09 O ATOM 285 H GLU A 528 14.948 24.942 6.280 1.00 0.00 H ATOM 286 N CYS A 529 18.819 25.029 7.886 1.00 46.34 N ATOM 287 CA CYS A 529 19.577 25.774 8.915 1.00 49.79 C ATOM 288 C CYS A 529 20.910 26.283 8.367 1.00 50.65 C ATOM 289 O CYS A 529 21.674 25.478 7.864 1.00 52.58 O ATOM 290 CB CYS A 529 19.862 24.907 10.114 1.00 51.29 C ATOM 291 SG CYS A 529 19.840 25.933 11.587 1.00 60.66 S ATOM 292 H CYS A 529 19.250 24.166 7.498 1.00 0.00 H ATOM 293 N HIS A 530 21.153 27.580 8.466 1.00 55.97 N ATOM 294 CA HIS A 530 22.323 28.285 7.883 1.00 57.99 C ATOM 295 C HIS A 530 23.396 28.432 8.960 1.00 59.98 C ATOM 296 O HIS A 530 23.068 28.644 10.114 1.00 57.45 O ATOM 297 CB HIS A 530 21.879 29.611 7.254 1.00 61.48 C ATOM 298 CG HIS A 530 21.051 29.422 6.022 1.00 69.79 C ATOM 299 ND1 HIS A 530 19.688 29.685 5.989 1.00 75.69 N ATOM 300 CD2 HIS A 530 21.371 28.956 4.791 1.00 74.75 C ATOM 301 CE1 HIS A 530 19.207 29.419 4.791 1.00 76.45 C ATOM 302 NE2 HIS A 530 20.229 28.981 4.033 1.00 78.26 N ATOM 303 H HIS A 530 20.467 28.154 8.997 1.00 0.00 H ATOM 304 N ASN A 531 24.658 28.248 8.602 1.00 65.65 N ATOM 305 CA ASN A 531 25.760 28.591 9.527 1.00 68.84 C ATOM 306 C ASN A 531 25.635 27.731 10.776 1.00 68.07 C ATOM 307 O ASN A 531 26.017 28.189 11.871 1.00 64.48 O ATOM 308 CB ASN A 531 25.734 30.082 9.872 1.00 74.08 C ATOM 309 CG ASN A 531 25.831 30.947 8.631 1.00 78.73 C ATOM 310 OD1 ASN A 531 26.653 30.670 7.743 1.00 74.47 O ATOM 311 ND2 ASN A 531 24.981 31.963 8.555 1.00 71.27 N ATOM 312 HD22 ASN A 531 24.315 32.144 9.334 1.00 0.00 H ATOM 313 HD21 ASN A 531 24.980 32.579 7.717 1.00 0.00 H ATOM 314 H ASN A 531 24.876 27.859 7.662 1.00 0.00 H ATOM 315 N LEU A 532 25.172 26.500 10.617 1.00 69.32 N ATOM 316 CA LEU A 532 25.120 25.568 11.760 1.00 66.03 C ATOM 317 C LEU A 532 26.427 24.763 11.806 1.00 71.90 C ATOM 318 O LEU A 532 26.958 24.572 12.915 1.00 65.94 O ATOM 319 CB LEU A 532 23.884 24.683 11.620 1.00 61.84 C ATOM 320 CG LEU A 532 23.483 23.917 12.871 1.00 58.14 C ATOM 321 CD1 LEU A 532 23.148 24.862 14.014 1.00 57.94 C ATOM 322 CD2 LEU A 532 22.309 23.010 12.571 1.00 59.18 C ATOM 323 H LEU A 532 24.843 26.188 9.681 1.00 0.00 H ATOM 324 N LEU A 533 26.950 24.306 10.666 1.00 76.13 N ATOM 325 CA LEU A 533 28.215 23.523 10.674 1.00 83.46 C ATOM 326 C LEU A 533 29.249 24.144 9.727 1.00 92.25 C ATOM 327 O LEU A 533 28.898 24.836 8.772 1.00 90.68 O ATOM 328 CB LEU A 533 27.896 22.059 10.348 1.00 78.54 C ATOM 329 CG LEU A 533 27.043 21.315 11.378 1.00 76.89 C ATOM 330 CD1 LEU A 533 26.585 19.976 10.851 1.00 76.74 C ATOM 331 CD2 LEU A 533 27.787 21.099 12.684 1.00 78.46 C ATOM 332 H LEU A 533 26.469 24.499 9.764 1.00 0.00 H ATOM 333 N PRO A 534 30.564 23.952 10.004 1.00104.33 N ATOM 334 CA PRO A 534 31.629 24.438 9.121 1.00107.32 C ATOM 335 C PRO A 534 31.554 23.912 7.674 1.00109.79 C ATOM 336 O PRO A 534 31.549 24.732 6.781 1.00112.84 O ATOM 337 CB PRO A 534 32.923 23.936 9.794 1.00113.15 C ATOM 338 CG PRO A 534 32.550 23.694 11.249 1.00111.68 C ATOM 339 CD PRO A 534 31.094 23.282 11.208 1.00107.04 C ATOM 340 N GLU A 535 31.499 22.586 7.467 1.00111.27 N ATOM 341 CA GLU A 535 31.570 21.943 6.118 1.00112.83 C ATOM 342 C GLU A 535 30.338 22.365 5.310 1.00104.55 C ATOM 343 O GLU A 535 30.393 22.266 4.069 1.00 96.14 O ATOM 344 CB GLU A 535 31.659 20.407 6.194 1.00115.88 C ATOM 345 CG GLU A 535 33.023 19.861 6.632 1.00119.54 C ATOM 346 CD GLU A 535 33.079 18.379 7.021 1.00119.60 C ATOM 347 OE1 GLU A 535 32.756 17.523 6.170 1.00115.87 O ATOM 348 OE2 GLU A 535 33.461 18.068 8.176 1.00109.17 O ATOM 349 H GLU A 535 31.401 21.967 8.297 1.00 0.00 H ATOM 350 N GLN A 536 29.278 22.814 6.000 1.00102.89 N ATOM 351 CA GLN A 536 27.923 23.097 5.438 1.00 98.61 C ATOM 352 C GLN A 536 27.400 24.443 5.950 1.00 93.75 C ATOM 353 O GLN A 536 27.053 24.528 7.154 1.00 94.72 O ATOM 354 CB GLN A 536 26.932 22.013 5.862 1.00 93.29 C ATOM 355 CG GLN A 536 27.319 20.611 5.423 1.00 91.60 C ATOM 356 CD GLN A 536 27.176 19.601 6.537 1.00 90.32 C ATOM 357 OE1 GLN A 536 26.167 18.897 6.630 1.00 79.96 O ATOM 358 NE2 GLN A 536 28.191 19.531 7.390 1.00 85.14 N ATOM 359 HE22 GLN A 536 29.019 20.148 7.265 1.00 0.00 H ATOM 360 HE21 GLN A 536 28.158 18.859 8.183 1.00 0.00 H ATOM 361 H GLN A 536 29.412 22.980 7.018 1.00 0.00 H ATOM 362 N ASP A 537 27.339 25.439 5.064 1.00 89.83 N ATOM 363 CA ASP A 537 26.705 26.763 5.309 1.00 94.89 C ATOM 364 C ASP A 537 25.180 26.610 5.192 1.00 93.42 C ATOM 365 O ASP A 537 24.475 27.525 5.666 1.00 92.17 O ATOM 366 CB ASP A 537 27.198 27.835 4.329 1.00 97.20 C ATOM 367 CG ASP A 537 26.707 27.629 2.901 1.00100.78 C ATOM 368 OD1 ASP A 537 27.255 26.740 2.228 1.00105.35 O ATOM 369 OD2 ASP A 537 25.760 28.337 2.478 1.00100.94 O ATOM 370 H ASP A 537 27.768 25.278 4.130 1.00 0.00 H ATOM 371 N LYS A 538 24.702 25.527 4.557 1.00 84.57 N ATOM 372 CA LYS A 538 23.259 25.202 4.466 1.00 78.29 C ATOM 373 C LYS A 538 23.038 23.689 4.549 1.00 78.34 C ATOM 374 O LYS A 538 23.601 22.963 3.714 1.00 88.59 O ATOM 375 CB LYS A 538 22.648 25.707 3.163 1.00 79.56 C ATOM 376 CG LYS A 538 21.328 25.031 2.820 1.00 87.78 C ATOM 377 CD LYS A 538 20.366 25.901 2.041 1.00 94.95 C ATOM 378 CE LYS A 538 20.645 25.926 0.552 1.00 96.21 C ATOM 379 NZ LYS A 538 19.860 26.986 -0.123 1.00 96.50 N ATOM 380 HZ1 LYS A 538 18.845 26.810 0.022 1.00 0.00 H ATOM 381 HZ2 LYS A 538 20.113 27.912 0.278 1.00 0.00 H ATOM 382 HZ3 LYS A 538 20.073 26.978 -1.141 1.00 0.00 H ATOM 383 H LYS A 538 25.381 24.882 4.105 1.00 0.00 H ATOM 384 N MET A 539 22.153 23.258 5.455 1.00 64.89 N ATOM 385 CA MET A 539 21.854 21.842 5.741 1.00 55.01 C ATOM 386 C MET A 539 20.400 21.633 6.192 1.00 49.10 C ATOM 387 O MET A 539 19.777 22.551 6.762 1.00 42.65 O ATOM 388 CB MET A 539 22.808 21.315 6.812 1.00 59.43 C ATOM 389 CG MET A 539 22.722 21.982 8.161 1.00 60.72 C ATOM 390 SD MET A 539 23.690 21.070 9.421 1.00 65.97 S ATOM 391 CE MET A 539 23.026 19.415 9.241 1.00 62.84 C ATOM 392 H MET A 539 21.636 23.977 6.000 1.00 0.00 H ATOM 393 N LEU A 540 19.844 20.447 5.964 1.00 44.59 N ATOM 394 CA LEU A 540 18.492 20.135 6.469 1.00 44.75 C ATOM 395 C LEU A 540 18.541 19.727 7.939 1.00 42.93 C ATOM 396 O LEU A 540 19.510 19.165 8.352 1.00 44.81 O ATOM 397 CB LEU A 540 17.867 19.045 5.628 1.00 48.14 C ATOM 398 CG LEU A 540 17.730 19.369 4.152 1.00 50.30 C ATOM 399 CD1 LEU A 540 17.176 18.140 3.477 1.00 55.62 C ATOM 400 CD2 LEU A 540 16.868 20.589 3.897 1.00 48.84 C ATOM 401 H LEU A 540 20.368 19.730 5.423 1.00 0.00 H ATOM 402 N VAL A 541 17.492 20.089 8.681 1.00 41.30 N ATOM 403 CA VAL A 541 17.224 19.705 10.095 1.00 37.19 C ATOM 404 C VAL A 541 15.729 19.435 10.248 1.00 33.63 C ATOM 405 O VAL A 541 14.957 19.889 9.436 1.00 35.05 O ATOM 406 CB VAL A 541 17.686 20.838 11.041 1.00 35.75 C ATOM 407 CG1 VAL A 541 19.197 21.006 11.001 1.00 35.72 C ATOM 408 CG2 VAL A 541 17.030 22.148 10.686 1.00 35.15 C ATOM 409 H VAL A 541 16.788 20.703 8.224 1.00 0.00 H ATOM 410 N ALA A 542 15.356 18.773 11.319 1.00 31.67 N ATOM 411 CA ALA A 542 13.983 18.669 11.811 1.00 33.18 C ATOM 412 C ALA A 542 13.868 19.619 12.989 1.00 36.12 C ATOM 413 O ALA A 542 14.775 19.656 13.859 1.00 34.45 O ATOM 414 CB ALA A 542 13.720 17.231 12.201 1.00 36.39 C ATOM 415 H ALA A 542 16.097 18.283 11.861 1.00 0.00 H ATOM 416 N VAL A 543 12.812 20.410 12.975 1.00 36.81 N ATOM 417 CA VAL A 543 12.518 21.457 13.971 1.00 36.02 C ATOM 418 C VAL A 543 11.236 21.066 14.679 1.00 35.64 C ATOM 419 O VAL A 543 10.215 21.022 13.998 1.00 34.85 O ATOM 420 CB VAL A 543 12.373 22.820 13.266 1.00 39.37 C ATOM 421 CG1 VAL A 543 11.915 23.919 14.222 1.00 44.96 C ATOM 422 CG2 VAL A 543 13.673 23.233 12.651 1.00 37.25 C ATOM 423 H VAL A 543 12.132 20.285 12.198 1.00 0.00 H ATOM 424 N LYS A 544 11.269 20.884 16.006 1.00 39.88 N ATOM 425 CA LYS A 544 10.070 20.708 16.877 1.00 41.19 C ATOM 426 C LYS A 544 9.676 22.088 17.404 1.00 40.40 C ATOM 427 O LYS A 544 10.475 22.707 18.074 1.00 40.94 O ATOM 428 CB LYS A 544 10.337 19.762 18.045 1.00 47.16 C ATOM 429 CG LYS A 544 9.125 19.397 18.907 1.00 51.43 C ATOM 430 CD LYS A 544 9.526 18.633 20.181 1.00 59.08 C ATOM 431 CE LYS A 544 8.410 18.344 21.187 1.00 67.42 C ATOM 432 NZ LYS A 544 7.195 17.740 20.561 1.00 70.11 N ATOM 433 HZ1 LYS A 544 6.814 18.393 19.847 1.00 0.00 H ATOM 434 HZ2 LYS A 544 7.451 16.840 20.108 1.00 0.00 H ATOM 435 HZ3 LYS A 544 6.478 17.569 21.294 1.00 0.00 H ATOM 436 H LYS A 544 12.202 20.864 16.464 1.00 0.00 H ATOM 437 N ALA A 545 8.477 22.530 17.064 1.00 40.38 N ATOM 438 CA ALA A 545 7.850 23.770 17.520 1.00 45.53 C ATOM 439 C ALA A 545 6.914 23.427 18.670 1.00 48.83 C ATOM 440 O ALA A 545 6.121 22.475 18.580 1.00 48.95 O ATOM 441 CB ALA A 545 7.124 24.420 16.366 1.00 47.17 C ATOM 442 H ALA A 545 7.927 21.939 16.409 1.00 0.00 H ATOM 443 N LEU A 546 7.030 24.156 19.761 1.00 58.57 N ATOM 444 CA LEU A 546 6.195 23.892 20.941 1.00 61.82 C ATOM 445 C LEU A 546 4.809 24.493 20.672 1.00 64.68 C ATOM 446 O LEU A 546 4.736 25.638 20.162 1.00 69.66 O ATOM 447 CB LEU A 546 6.922 24.493 22.139 1.00 65.79 C ATOM 448 CG LEU A 546 6.487 23.920 23.487 1.00 71.84 C ATOM 449 CD1 LEU A 546 7.064 22.514 23.690 1.00 74.40 C ATOM 450 CD2 LEU A 546 6.890 24.876 24.608 1.00 71.28 C ATOM 451 H LEU A 546 7.723 24.931 19.788 1.00 0.00 H ATOM 452 N LYS A 547 3.752 23.726 20.912 1.00 72.25 N ATOM 453 CA LYS A 547 2.365 24.152 20.587 1.00 87.89 C ATOM 454 C LYS A 547 2.001 25.309 21.528 1.00 97.07 C ATOM 455 O LYS A 547 1.970 26.479 21.049 1.00 99.86 O ATOM 456 CB LYS A 547 1.394 22.969 20.681 1.00 94.27 C ATOM 457 CG LYS A 547 0.241 22.998 19.683 1.00103.24 C ATOM 458 CD LYS A 547 -0.428 21.641 19.440 1.00106.00 C ATOM 459 CE LYS A 547 -1.564 21.691 18.434 1.00107.91 C ATOM 460 NZ LYS A 547 -2.186 20.360 18.238 1.00106.45 N ATOM 461 HZ1 LYS A 547 -1.470 19.692 17.889 1.00 0.00 H ATOM 462 HZ2 LYS A 547 -2.567 20.020 19.144 1.00 0.00 H ATOM 463 HZ3 LYS A 547 -2.957 20.438 17.544 1.00 0.00 H ATOM 464 H LYS A 547 3.900 22.792 21.344 1.00 0.00 H ATOM 465 N GLU A 548 1.790 24.997 22.812 1.00 96.98 N ATOM 466 CA GLU A 548 1.565 25.984 23.899 1.00103.73 C ATOM 467 C GLU A 548 2.851 26.797 24.044 1.00103.32 C ATOM 468 O GLU A 548 3.729 26.645 23.193 1.00106.92 O ATOM 469 CB GLU A 548 1.220 25.243 25.191 1.00106.02 C ATOM 470 CG GLU A 548 0.351 26.030 26.143 1.00108.39 C ATOM 471 CD GLU A 548 -0.318 25.143 27.181 1.00112.16 C ATOM 472 OE1 GLU A 548 0.358 24.235 27.730 1.00111.30 O ATOM 473 OE2 GLU A 548 -1.517 25.342 27.420 1.00 99.05 O ATOM 474 H GLU A 548 1.783 23.989 23.068 1.00 0.00 H ATOM 475 N ALA A 549 2.956 27.643 25.061 1.00107.62 N ATOM 476 CA ALA A 549 4.244 28.226 25.518 1.00117.86 C ATOM 477 C ALA A 549 4.102 28.723 26.969 1.00125.96 C ATOM 478 O ALA A 549 4.810 29.691 27.331 1.00121.19 O ATOM 479 CB ALA A 549 4.697 29.320 24.572 1.00111.60 C ATOM 480 H ALA A 549 2.088 27.913 25.566 1.00 0.00 H ATOM 481 N SER A 550 3.263 28.040 27.770 1.00128.22 N ATOM 482 CA SER A 550 2.804 28.436 29.130 1.00121.23 C ATOM 483 C SER A 550 3.937 28.214 30.143 1.00127.33 C ATOM 484 O SER A 550 5.054 27.877 29.705 1.00124.63 O ATOM 485 CB SER A 550 1.531 27.693 29.501 1.00115.96 C ATOM 486 OG SER A 550 1.780 26.318 29.773 1.00110.31 O ATOM 487 HG SER A 550 0.929 25.870 30.010 1.00 0.00 H ATOM 488 H SER A 550 2.896 27.140 27.400 1.00 0.00 H ATOM 489 N GLU A 551 3.660 28.419 31.439 1.00138.87 N ATOM 490 CA GLU A 551 4.616 28.251 32.575 1.00139.30 C ATOM 491 C GLU A 551 5.162 26.817 32.577 1.00133.55 C ATOM 492 O GLU A 551 6.386 26.645 32.770 1.00126.22 O ATOM 493 CB GLU A 551 3.926 28.596 33.904 1.00149.40 C ATOM 494 CG GLU A 551 3.191 27.439 34.589 1.00159.08 C ATOM 495 CD GLU A 551 1.940 26.872 33.918 1.00163.95 C ATOM 496 OE1 GLU A 551 0.986 26.533 34.652 1.00162.50 O ATOM 497 OE2 GLU A 551 1.924 26.731 32.670 1.00165.70 O ATOM 498 H GLU A 551 2.693 28.722 31.674 1.00 0.00 H ATOM 499 N SER A 552 4.269 25.849 32.333 1.00127.00 N ATOM 500 CA SER A 552 4.494 24.382 32.391 1.00121.15 C ATOM 501 C SER A 552 5.325 23.962 31.172 1.00112.67 C ATOM 502 O SER A 552 6.312 23.224 31.340 1.00107.36 O ATOM 503 CB SER A 552 3.161 23.657 32.439 1.00122.96 C ATOM 504 OG SER A 552 3.251 22.462 33.192 1.00118.89 O ATOM 505 HG SER A 552 2.368 22.014 33.204 1.00 0.00 H ATOM 506 H SER A 552 3.311 26.159 32.074 1.00 0.00 H ATOM 507 N ALA A 553 4.935 24.447 29.991 1.00105.59 N ATOM 508 CA ALA A 553 5.513 24.079 28.681 1.00 99.27 C ATOM 509 C ALA A 553 6.983 24.509 28.605 1.00 94.63 C ATOM 510 O ALA A 553 7.783 23.691 28.083 1.00 92.43 O ATOM 511 CB ALA A 553 4.694 24.693 27.580 1.00 95.91 C ATOM 512 H ALA A 553 4.161 25.141 29.993 1.00 0.00 H ATOM 513 N ARG A 554 7.308 25.702 29.133 1.00 90.29 N ATOM 514 CA ARG A 554 8.583 26.446 28.905 1.00 93.35 C ATOM 515 C ARG A 554 9.633 26.112 29.974 1.00 93.91 C ATOM 516 O ARG A 554 10.839 26.222 29.665 1.00 92.79 O ATOM 517 CB ARG A 554 8.342 27.959 28.906 1.00101.19 C ATOM 518 CG ARG A 554 9.351 28.758 28.085 1.00111.11 C ATOM 519 CD ARG A 554 9.525 30.204 28.531 1.00115.00 C ATOM 520 NE ARG A 554 10.445 30.277 29.667 1.00125.73 N ATOM 521 CZ ARG A 554 10.273 30.989 30.790 1.00125.77 C ATOM 522 NH1 ARG A 554 9.192 31.732 30.986 1.00124.23 N ATOM 523 NH2 ARG A 554 11.201 30.945 31.732 1.00122.83 N ATOM 524 HE ARG A 554 11.321 29.720 29.596 1.00 0.00 H ATOM 525 HH12 ARG A 554 9.086 32.274 31.867 1.00 0.00 H ATOM 526 HH11 ARG A 554 8.450 31.773 30.258 1.00 0.00 H ATOM 527 HH22 ARG A 554 11.079 31.493 32.608 1.00 0.00 H ATOM 528 HH21 ARG A 554 12.052 30.363 31.597 1.00 0.00 H ATOM 529 H ARG A 554 6.607 26.148 29.758 1.00 0.00 H ATOM 530 N GLN A 555 9.222 25.762 31.196 1.00 91.38 N ATOM 531 CA GLN A 555 10.156 25.171 32.188 1.00 91.42 C ATOM 532 C GLN A 555 10.407 23.714 31.777 1.00 84.43 C ATOM 533 O GLN A 555 11.520 23.221 32.031 1.00 87.63 O ATOM 534 CB GLN A 555 9.651 25.335 33.629 1.00100.32 C ATOM 535 CG GLN A 555 9.816 26.765 34.169 1.00109.03 C ATOM 536 CD GLN A 555 10.064 26.918 35.662 1.00110.65 C ATOM 537 OE1 GLN A 555 10.014 25.968 36.445 1.00108.84 O ATOM 538 NE2 GLN A 555 10.336 28.147 36.082 1.00104.14 N ATOM 539 HE22 GLN A 555 10.373 28.933 35.402 1.00 0.00 H ATOM 540 HE21 GLN A 555 10.513 28.324 37.091 1.00 0.00 H ATOM 541 H GLN A 555 8.226 25.907 31.458 1.00 0.00 H ATOM 542 N ASP A 556 9.429 23.049 31.155 1.00 74.50 N ATOM 543 CA ASP A 556 9.602 21.684 30.586 1.00 77.23 C ATOM 544 C ASP A 556 10.705 21.752 29.531 1.00 75.79 C ATOM 545 O ASP A 556 11.704 20.968 29.608 1.00 69.17 O ATOM 546 CB ASP A 556 8.380 21.182 29.805 1.00 81.78 C ATOM 547 CG ASP A 556 7.343 20.392 30.572 1.00 83.71 C ATOM 548 OD1 ASP A 556 7.712 19.723 31.561 1.00 87.31 O ATOM 549 OD2 ASP A 556 6.168 20.447 30.150 1.00 87.81 O ATOM 550 H ASP A 556 8.500 23.508 31.064 1.00 0.00 H ATOM 551 N PHE A 557 10.446 22.627 28.553 1.00 65.87 N ATOM 552 CA PHE A 557 11.237 22.860 27.327 1.00 64.02 C ATOM 553 C PHE A 557 12.689 23.103 27.720 1.00 62.03 C ATOM 554 O PHE A 557 13.591 22.504 27.070 1.00 55.39 O ATOM 555 CB PHE A 557 10.690 24.090 26.601 1.00 64.49 C ATOM 556 CG PHE A 557 11.494 24.514 25.403 1.00 59.98 C ATOM 557 CD1 PHE A 557 12.633 25.289 25.553 1.00 58.31 C ATOM 558 CD2 PHE A 557 11.091 24.162 24.125 1.00 59.45 C ATOM 559 CE1 PHE A 557 13.355 25.712 24.445 1.00 60.28 C ATOM 560 CE2 PHE A 557 11.826 24.573 23.022 1.00 59.84 C ATOM 561 CZ PHE A 557 12.967 25.332 23.184 1.00 58.76 C ATOM 562 H PHE A 557 9.592 23.209 28.669 1.00 0.00 H ATOM 563 N GLN A 558 12.884 23.971 28.719 1.00 58.08 N ATOM 564 CA GLN A 558 14.221 24.375 29.207 1.00 63.83 C ATOM 565 C GLN A 558 14.944 23.161 29.804 1.00 62.76 C ATOM 566 O GLN A 558 16.176 23.064 29.627 1.00 65.79 O ATOM 567 CB GLN A 558 14.102 25.536 30.193 1.00 71.36 C ATOM 568 CG GLN A 558 15.431 26.219 30.484 1.00 77.08 C ATOM 569 CD GLN A 558 16.118 26.765 29.247 1.00 84.99 C ATOM 570 OE1 GLN A 558 15.496 27.379 28.366 1.00 81.73 O ATOM 571 NE2 GLN A 558 17.433 26.561 29.182 1.00 86.74 N ATOM 572 HE22 GLN A 558 17.917 26.041 29.942 1.00 0.00 H ATOM 573 HE21 GLN A 558 17.976 26.922 28.371 1.00 0.00 H ATOM 574 H GLN A 558 12.048 24.385 29.179 1.00 0.00 H ATOM 575 N ARG A 559 14.189 22.280 30.472 1.00 61.73 N ATOM 576 CA ARG A 559 14.746 21.033 31.062 1.00 64.01 C ATOM 577 C ARG A 559 15.088 20.086 29.908 1.00 57.27 C ATOM 578 O ARG A 559 16.098 19.367 30.043 1.00 60.55 O ATOM 579 CB ARG A 559 13.735 20.396 32.020 1.00 67.76 C ATOM 580 CG ARG A 559 13.679 21.052 33.392 1.00 38.10 C ATOM 581 CD ARG A 559 12.519 20.542 34.228 1.00 38.25 C ATOM 582 NE ARG A 559 12.320 21.327 35.438 1.00 38.00 N ATOM 583 CZ ARG A 559 11.501 20.989 36.427 1.00 37.89 C ATOM 584 NH1 ARG A 559 10.798 19.872 36.352 1.00 37.83 N ATOM 585 NH2 ARG A 559 11.387 21.768 37.487 1.00 37.79 N ATOM 586 HE ARG A 559 12.856 22.213 35.534 1.00 0.00 H ATOM 587 HH12 ARG A 559 10.157 19.608 37.127 1.00 0.00 H ATOM 588 HH11 ARG A 559 10.886 19.257 35.518 1.00 0.00 H ATOM 589 HH22 ARG A 559 10.745 21.502 38.261 1.00 0.00 H ATOM 590 HH21 ARG A 559 11.939 22.647 37.548 1.00 0.00 H ATOM 591 H ARG A 559 13.173 22.475 30.583 1.00 0.00 H ATOM 592 N GLU A 560 14.097 19.789 29.061 1.00 52.13 N ATOM 593 CA GLU A 560 14.320 18.854 27.934 1.00 52.36 C ATOM 594 C GLU A 560 15.546 19.342 27.152 1.00 51.35 C ATOM 595 O GLU A 560 16.359 18.468 26.810 1.00 54.14 O ATOM 596 CB GLU A 560 13.056 18.645 27.085 1.00 50.69 C ATOM 597 CG GLU A 560 13.170 17.507 26.072 1.00 50.10 C ATOM 598 CD GLU A 560 13.310 16.077 26.590 1.00 50.63 C ATOM 599 OE1 GLU A 560 14.090 15.322 26.001 1.00 54.18 O ATOM 600 OE2 GLU A 560 12.642 15.703 27.563 1.00 50.02 O ATOM 601 H GLU A 560 13.160 20.219 29.195 1.00 0.00 H ATOM 602 N ALA A 561 15.700 20.658 26.924 1.00 51.63 N ATOM 603 CA ALA A 561 16.866 21.252 26.212 1.00 50.91 C ATOM 604 C ALA A 561 18.166 20.921 26.933 1.00 51.22 C ATOM 605 O ALA A 561 19.086 20.528 26.244 1.00 48.92 O ATOM 606 CB ALA A 561 16.746 22.743 26.078 1.00 53.86 C ATOM 607 H ALA A 561 14.958 21.302 27.266 1.00 0.00 H ATOM 608 N GLU A 562 18.180 21.015 28.267 1.00 54.04 N ATOM 609 CA GLU A 562 19.387 20.686 29.071 1.00 56.09 C ATOM 610 C GLU A 562 19.710 19.196 28.903 1.00 53.79 C ATOM 611 O GLU A 562 20.851 18.882 28.509 1.00 53.09 O ATOM 612 CB GLU A 562 19.159 21.038 30.543 1.00 60.59 C ATOM 613 CG GLU A 562 19.426 22.497 30.864 1.00 62.56 C ATOM 614 CD GLU A 562 18.791 22.988 32.154 1.00 37.39 C ATOM 615 OE1 GLU A 562 18.370 24.161 32.194 1.00 36.95 O ATOM 616 OE2 GLU A 562 18.719 22.196 33.114 1.00 37.07 O ATOM 617 H GLU A 562 17.319 21.328 28.758 1.00 0.00 H ATOM 618 N LEU A 563 18.740 18.320 29.191 1.00 52.51 N ATOM 619 CA LEU A 563 18.942 16.860 29.058 1.00 51.42 C ATOM 620 C LEU A 563 19.512 16.553 27.665 1.00 52.40 C ATOM 621 O LEU A 563 20.544 15.894 27.613 1.00 50.89 O ATOM 622 CB LEU A 563 17.622 16.123 29.313 1.00 55.12 C ATOM 623 CG LEU A 563 17.946 14.926 30.139 1.00 29.70 C ATOM 624 CD1 LEU A 563 16.735 14.695 31.030 1.00 29.82 C ATOM 625 CD2 LEU A 563 18.190 13.719 29.247 1.00 29.57 C ATOM 626 H LEU A 563 17.819 18.675 29.517 1.00 0.00 H ATOM 627 N LEU A 564 18.910 17.052 26.577 1.00 50.90 N ATOM 628 CA LEU A 564 19.327 16.698 25.190 1.00 51.25 C ATOM 629 C LEU A 564 20.705 17.279 24.879 1.00 49.71 C ATOM 630 O LEU A 564 21.445 16.714 24.057 1.00 46.06 O ATOM 631 CB LEU A 564 18.292 17.214 24.188 1.00 53.72 C ATOM 632 CG LEU A 564 16.910 16.555 24.266 1.00 56.09 C ATOM 633 CD1 LEU A 564 15.904 17.347 23.451 1.00 57.49 C ATOM 634 CD2 LEU A 564 16.943 15.115 23.794 1.00 52.81 C ATOM 635 H LEU A 564 18.118 17.714 26.705 1.00 0.00 H ATOM 636 N THR A 565 21.034 18.417 25.457 1.00 53.65 N ATOM 637 CA THR A 565 22.382 19.017 25.284 1.00 57.20 C ATOM 638 C THR A 565 23.416 18.062 25.918 1.00 57.78 C ATOM 639 O THR A 565 24.528 17.968 25.392 1.00 56.14 O ATOM 640 CB THR A 565 22.424 20.443 25.852 1.00 58.23 C ATOM 641 OG1 THR A 565 21.495 21.258 25.134 1.00 52.23 O ATOM 642 CG2 THR A 565 23.809 21.041 25.752 1.00 58.07 C ATOM 643 HG1 THR A 565 21.743 21.273 24.176 1.00 0.00 H ATOM 644 H THR A 565 20.333 18.907 26.049 1.00 0.00 H ATOM 645 N MET A 566 23.041 17.354 26.987 1.00 61.84 N ATOM 646 CA MET A 566 23.927 16.456 27.785 1.00 64.34 C ATOM 647 C MET A 566 24.094 15.125 27.036 1.00 64.24 C ATOM 648 O MET A 566 25.201 14.559 27.094 1.00 62.08 O ATOM 649 CB MET A 566 23.342 16.223 29.183 1.00 67.98 C ATOM 650 CG MET A 566 24.331 15.654 30.219 1.00 83.46 C ATOM 651 SD MET A 566 23.618 14.490 31.504 1.00 94.29 S ATOM 652 CE MET A 566 24.859 14.503 32.807 1.00 89.79 C ATOM 653 H MET A 566 22.049 17.435 27.288 1.00 0.00 H ATOM 654 N LEU A 567 23.067 14.662 26.309 1.00 61.00 N ATOM 655 CA LEU A 567 23.116 13.372 25.585 1.00 62.03 C ATOM 656 C LEU A 567 23.655 13.627 24.185 1.00 65.53 C ATOM 657 O LEU A 567 22.910 14.107 23.328 1.00 73.00 O ATOM 658 CB LEU A 567 21.722 12.754 25.503 1.00 63.08 C ATOM 659 CG LEU A 567 20.964 12.619 26.816 1.00 62.06 C ATOM 660 CD1 LEU A 567 19.634 11.951 26.569 1.00 65.01 C ATOM 661 CD2 LEU A 567 21.764 11.839 27.827 1.00 58.05 C ATOM 662 H LEU A 567 22.200 15.233 26.251 1.00 0.00 H ATOM 663 N GLN A 568 24.921 13.320 23.985 1.00 67.36 N ATOM 664 CA GLN A 568 25.601 13.454 22.686 1.00 66.57 C ATOM 665 C GLN A 568 26.359 12.138 22.475 1.00 57.64 C ATOM 666 O GLN A 568 27.148 11.761 23.306 1.00 56.49 O ATOM 667 CB GLN A 568 26.435 14.742 22.706 1.00 79.86 C ATOM 668 CG GLN A 568 25.649 16.012 23.085 1.00 84.01 C ATOM 669 CD GLN A 568 24.881 16.693 21.965 1.00 90.58 C ATOM 670 OE1 GLN A 568 25.353 16.801 20.831 1.00101.56 O ATOM 671 NE2 GLN A 568 23.696 17.207 22.277 1.00 81.29 N ATOM 672 HE22 GLN A 568 23.321 17.102 23.241 1.00 0.00 H ATOM 673 HE21 GLN A 568 23.144 17.715 21.557 1.00 0.00 H ATOM 674 H GLN A 568 25.472 12.962 24.792 1.00 0.00 H ATOM 675 N HIS A 569 25.993 11.389 21.451 1.00 52.60 N ATOM 676 CA HIS A 569 26.637 10.108 21.097 1.00 49.16 C ATOM 677 C HIS A 569 26.268 9.734 19.648 1.00 47.39 C ATOM 678 O HIS A 569 25.170 10.109 19.157 1.00 47.78 O ATOM 679 CB HIS A 569 26.196 9.099 22.155 1.00 50.48 C ATOM 680 CG HIS A 569 26.756 7.743 21.988 1.00 49.34 C ATOM 681 ND1 HIS A 569 26.119 6.793 21.200 1.00 48.85 N ATOM 682 CD2 HIS A 569 27.849 7.159 22.545 1.00 49.59 C ATOM 683 CE1 HIS A 569 26.809 5.660 21.252 1.00 48.48 C ATOM 684 NE2 HIS A 569 27.898 5.874 22.061 1.00 50.08 N ATOM 685 H HIS A 569 25.205 11.721 20.859 1.00 0.00 H ATOM 686 N GLN A 570 27.070 8.866 19.027 1.00 45.92 N ATOM 687 CA GLN A 570 26.836 8.431 17.620 1.00 46.26 C ATOM 688 C GLN A 570 25.462 7.764 17.423 1.00 44.89 C ATOM 689 O GLN A 570 24.966 7.806 16.280 1.00 48.06 O ATOM 690 CB GLN A 570 27.958 7.495 17.163 1.00 49.45 C ATOM 691 CG GLN A 570 27.646 6.758 15.869 1.00 54.81 C ATOM 692 CD GLN A 570 28.754 5.815 15.468 1.00 37.83 C ATOM 693 OE1 GLN A 570 29.649 5.509 16.251 1.00 37.46 O ATOM 694 NE2 GLN A 570 28.700 5.345 14.232 1.00 38.38 N ATOM 695 HE22 GLN A 570 27.924 5.630 13.601 1.00 0.00 H ATOM 696 HE21 GLN A 570 29.433 4.691 13.892 1.00 0.00 H ATOM 697 H GLN A 570 27.886 8.480 19.543 1.00 0.00 H ATOM 698 N HIS A 571 24.865 7.174 18.468 1.00 41.76 N ATOM 699 CA HIS A 571 23.561 6.465 18.319 1.00 41.74 C ATOM 700 C HIS A 571 22.448 7.122 19.153 1.00 39.47 C ATOM 701 O HIS A 571 21.488 6.425 19.525 1.00 36.00 O ATOM 702 CB HIS A 571 23.797 4.978 18.573 1.00 40.93 C ATOM 703 CG HIS A 571 24.735 4.436 17.556 1.00 44.47 C ATOM 704 ND1 HIS A 571 24.396 4.339 16.223 1.00 46.04 N ATOM 705 CD2 HIS A 571 26.037 4.084 17.646 1.00 45.75 C ATOM 706 CE1 HIS A 571 25.443 3.899 15.548 1.00 46.62 C ATOM 707 NE2 HIS A 571 26.455 3.742 16.396 1.00 44.70 N ATOM 708 H HIS A 571 25.320 7.211 19.402 1.00 0.00 H ATOM 709 N ILE A 572 22.605 8.417 19.462 1.00 40.95 N ATOM 710 CA ILE A 572 21.535 9.304 19.999 1.00 38.62 C ATOM 711 C ILE A 572 21.275 10.372 18.928 1.00 38.13 C ATOM 712 O ILE A 572 22.258 10.918 18.429 1.00 36.05 O ATOM 713 CB ILE A 572 21.972 9.926 21.343 1.00 40.62 C ATOM 714 CG1 ILE A 572 22.343 8.846 22.364 1.00 44.00 C ATOM 715 CG2 ILE A 572 20.912 10.877 21.886 1.00 37.53 C ATOM 716 CD1 ILE A 572 21.199 7.909 22.723 1.00 44.85 C ATOM 717 H ILE A 572 23.546 8.835 19.316 1.00 0.00 H ATOM 718 N VAL A 573 20.012 10.591 18.536 1.00 38.30 N ATOM 719 CA VAL A 573 19.625 11.724 17.654 1.00 41.53 C ATOM 720 C VAL A 573 20.362 12.983 18.126 1.00 40.26 C ATOM 721 O VAL A 573 20.277 13.363 19.328 1.00 35.94 O ATOM 722 CB VAL A 573 18.124 12.017 17.570 1.00 42.84 C ATOM 723 CG1 VAL A 573 17.895 13.095 16.536 1.00 45.15 C ATOM 724 CG2 VAL A 573 17.334 10.789 17.187 1.00 47.26 C ATOM 725 H VAL A 573 19.270 9.940 18.863 1.00 0.00 H ATOM 726 N ARG A 574 21.023 13.604 17.171 1.00 37.78 N ATOM 727 CA ARG A 574 21.846 14.785 17.401 1.00 42.75 C ATOM 728 C ARG A 574 20.893 15.957 17.620 1.00 42.87 C ATOM 729 O ARG A 574 20.004 16.183 16.763 1.00 41.09 O ATOM 730 CB ARG A 574 22.822 14.939 16.245 1.00 50.03 C ATOM 731 CG ARG A 574 24.065 15.648 16.713 1.00 57.15 C ATOM 732 CD ARG A 574 24.894 16.157 15.574 1.00 63.15 C ATOM 733 NE ARG A 574 25.694 17.186 16.207 1.00 69.78 N ATOM 734 CZ ARG A 574 26.767 17.747 15.687 1.00 71.98 C ATOM 735 NH1 ARG A 574 27.185 17.381 14.489 1.00 77.17 N ATOM 736 NH2 ARG A 574 27.392 18.697 16.361 1.00 73.40 N ATOM 737 HE ARG A 574 25.397 17.509 17.150 1.00 0.00 H ATOM 738 HH12 ARG A 574 28.032 17.822 14.076 1.00 0.00 H ATOM 739 HH11 ARG A 574 26.668 16.652 13.958 1.00 0.00 H ATOM 740 HH22 ARG A 574 28.240 19.147 15.961 1.00 0.00 H ATOM 741 HH21 ARG A 574 27.036 18.995 17.292 1.00 0.00 H ATOM 742 H ARG A 574 20.954 13.232 16.202 1.00 0.00 H ATOM 743 N PHE A 575 21.019 16.577 18.790 1.00 39.51 N ATOM 744 CA PHE A 575 20.359 17.836 19.190 1.00 40.78 C ATOM 745 C PHE A 575 21.348 18.986 18.950 1.00 41.63 C ATOM 746 O PHE A 575 22.423 18.923 19.468 1.00 43.90 O ATOM 747 CB PHE A 575 19.932 17.806 20.657 1.00 38.69 C ATOM 748 CG PHE A 575 19.271 19.082 21.140 1.00 40.36 C ATOM 749 CD1 PHE A 575 18.034 19.472 20.646 1.00 37.32 C ATOM 750 CD2 PHE A 575 19.830 19.837 22.154 1.00 36.93 C ATOM 751 CE1 PHE A 575 17.367 20.561 21.177 1.00 37.85 C ATOM 752 CE2 PHE A 575 19.186 20.958 22.630 1.00 37.34 C ATOM 753 CZ PHE A 575 17.956 21.318 22.156 1.00 37.88 C ATOM 754 H PHE A 575 21.644 16.131 19.492 1.00 0.00 H ATOM 755 N PHE A 576 20.965 19.982 18.156 1.00 44.15 N ATOM 756 CA PHE A 576 21.796 21.142 17.760 1.00 44.74 C ATOM 757 C PHE A 576 21.541 22.324 18.690 1.00 43.90 C ATOM 758 O PHE A 576 22.499 23.092 18.944 1.00 50.43 O ATOM 759 CB PHE A 576 21.494 21.527 16.310 1.00 48.16 C ATOM 760 CG PHE A 576 22.089 20.556 15.320 1.00 45.92 C ATOM 761 CD1 PHE A 576 23.464 20.381 15.246 1.00 47.26 C ATOM 762 CD2 PHE A 576 21.286 19.835 14.474 1.00 41.80 C ATOM 763 CE1 PHE A 576 24.009 19.480 14.339 1.00 48.21 C ATOM 764 CE2 PHE A 576 21.834 18.962 13.553 1.00 45.37 C ATOM 765 CZ PHE A 576 23.194 18.772 13.493 1.00 45.26 C ATOM 766 H PHE A 576 19.996 19.943 17.780 1.00 0.00 H ATOM 767 N GLY A 577 20.316 22.500 19.167 1.00 40.45 N ATOM 768 CA GLY A 577 19.992 23.589 20.107 1.00 42.78 C ATOM 769 C GLY A 577 18.582 24.121 19.937 1.00 42.49 C ATOM 770 O GLY A 577 17.725 23.410 19.378 1.00 40.90 O ATOM 771 H GLY A 577 19.561 21.850 18.869 1.00 0.00 H ATOM 772 N VAL A 578 18.345 25.309 20.481 1.00 41.85 N ATOM 773 CA VAL A 578 17.004 25.921 20.652 1.00 41.48 C ATOM 774 C VAL A 578 16.987 27.241 19.913 1.00 43.86 C ATOM 775 O VAL A 578 18.036 27.925 19.813 1.00 45.20 O ATOM 776 CB VAL A 578 16.639 26.143 22.130 1.00 44.55 C ATOM 777 CG1 VAL A 578 16.625 24.827 22.873 1.00 46.40 C ATOM 778 CG2 VAL A 578 17.552 27.147 22.827 1.00 45.80 C ATOM 779 H VAL A 578 19.165 25.855 20.814 1.00 0.00 H ATOM 780 N CYS A 579 15.805 27.620 19.484 1.00 46.42 N ATOM 781 CA CYS A 579 15.522 29.005 19.083 1.00 47.25 C ATOM 782 C CYS A 579 14.436 29.581 19.985 1.00 49.46 C ATOM 783 O CYS A 579 13.233 29.372 19.647 1.00 50.62 O ATOM 784 CB CYS A 579 15.069 29.113 17.643 1.00 48.73 C ATOM 785 SG CYS A 579 14.911 30.864 17.217 1.00 55.26 S ATOM 786 H CYS A 579 15.043 26.915 19.426 1.00 0.00 H ATOM 787 N THR A 580 14.857 30.382 20.973 1.00 50.52 N ATOM 788 CA THR A 580 14.018 31.066 21.999 1.00 56.77 C ATOM 789 C THR A 580 13.848 32.562 21.703 1.00 63.22 C ATOM 790 O THR A 580 13.373 33.275 22.609 1.00 66.07 O ATOM 791 CB THR A 580 14.686 30.950 23.370 1.00 57.91 C ATOM 792 OG1 THR A 580 16.070 31.277 23.205 1.00 58.17 O ATOM 793 CG2 THR A 580 14.570 29.554 23.928 1.00 61.95 C ATOM 794 HG1 THR A 580 16.530 31.210 24.079 1.00 0.00 H ATOM 795 H THR A 580 15.883 30.545 21.031 1.00 0.00 H ATOM 796 N GLU A 581 14.218 33.043 20.512 1.00 69.27 N ATOM 797 CA GLU A 581 13.957 34.465 20.144 1.00 75.71 C ATOM 798 C GLU A 581 12.564 34.534 19.483 1.00 73.32 C ATOM 799 O GLU A 581 12.418 34.295 18.281 1.00 64.80 O ATOM 800 CB GLU A 581 15.163 35.081 19.418 1.00 72.94 C ATOM 801 CG GLU A 581 15.288 34.811 17.933 1.00 73.77 C ATOM 802 CD GLU A 581 16.235 35.762 17.215 1.00 74.34 C ATOM 803 OE1 GLU A 581 16.615 35.460 16.080 1.00 73.51 O ATOM 804 OE2 GLU A 581 16.587 36.818 17.797 1.00 84.75 O ATOM 805 H GLU A 581 14.695 32.417 19.832 1.00 0.00 H ATOM 806 N GLY A 582 11.540 34.792 20.292 1.00 76.11 N ATOM 807 CA GLY A 582 10.160 34.945 19.799 1.00 80.58 C ATOM 808 C GLY A 582 9.557 33.608 19.411 1.00 81.27 C ATOM 809 O GLY A 582 10.162 32.885 18.573 1.00 89.47 O ATOM 810 H GLY A 582 11.720 34.889 21.312 1.00 0.00 H ATOM 811 N ARG A 583 8.413 33.304 20.021 1.00 73.48 N ATOM 812 CA ARG A 583 7.568 32.115 19.775 1.00 72.29 C ATOM 813 C ARG A 583 7.281 31.912 18.293 1.00 68.47 C ATOM 814 O ARG A 583 7.259 32.868 17.522 1.00 69.41 O ATOM 815 CB ARG A 583 6.231 32.284 20.488 1.00 73.01 C ATOM 816 CG ARG A 583 6.358 32.293 21.998 1.00 76.62 C ATOM 817 CD ARG A 583 4.989 32.451 22.625 1.00 79.38 C ATOM 818 NE ARG A 583 5.023 33.532 23.602 1.00 81.61 N ATOM 819 CZ ARG A 583 4.266 33.607 24.689 1.00 84.10 C ATOM 820 NH1 ARG A 583 3.385 32.656 24.963 1.00 86.70 N ATOM 821 NH2 ARG A 583 4.399 34.645 25.498 1.00 86.58 N ATOM 822 HE ARG A 583 5.695 34.307 23.433 1.00 0.00 H ATOM 823 HH12 ARG A 583 2.796 32.723 25.817 1.00 0.00 H ATOM 824 HH11 ARG A 583 3.283 31.842 24.324 1.00 0.00 H ATOM 825 HH22 ARG A 583 3.812 34.716 26.353 1.00 0.00 H ATOM 826 HH21 ARG A 583 5.091 35.390 25.279 1.00 0.00 H ATOM 827 H ARG A 583 8.079 33.972 20.745 1.00 0.00 H ATOM 828 N PRO A 584 7.076 30.649 17.859 1.00 65.34 N ATOM 829 CA PRO A 584 7.078 29.502 18.772 1.00 62.00 C ATOM 830 C PRO A 584 8.523 29.134 19.153 1.00 57.66 C ATOM 831 O PRO A 584 9.450 29.427 18.397 1.00 55.30 O ATOM 832 CB PRO A 584 6.401 28.403 17.947 1.00 65.73 C ATOM 833 CG PRO A 584 6.799 28.740 16.508 1.00 67.60 C ATOM 834 CD PRO A 584 6.987 30.250 16.448 1.00 68.17 C ATOM 835 N LEU A 585 8.711 28.581 20.347 1.00 53.91 N ATOM 836 CA LEU A 585 10.036 28.075 20.776 1.00 48.58 C ATOM 837 C LEU A 585 10.318 26.835 19.909 1.00 49.13 C ATOM 838 O LEU A 585 9.349 26.101 19.625 1.00 50.64 O ATOM 839 CB LEU A 585 9.999 27.763 22.266 1.00 49.03 C ATOM 840 CG LEU A 585 9.722 28.937 23.216 1.00 55.50 C ATOM 841 CD1 LEU A 585 9.655 28.456 24.680 1.00 55.80 C ATOM 842 CD2 LEU A 585 10.768 30.056 23.079 1.00 53.27 C ATOM 843 H LEU A 585 7.905 28.501 20.999 1.00 0.00 H ATOM 844 N LEU A 586 11.556 26.679 19.433 1.00 42.15 N ATOM 845 CA LEU A 586 12.010 25.642 18.476 1.00 41.65 C ATOM 846 C LEU A 586 13.146 24.850 19.105 1.00 40.55 C ATOM 847 O LEU A 586 13.971 25.451 19.839 1.00 37.34 O ATOM 848 CB LEU A 586 12.520 26.252 17.168 1.00 42.74 C ATOM 849 CG LEU A 586 11.595 27.288 16.536 1.00 43.30 C ATOM 850 CD1 LEU A 586 12.216 27.895 15.289 1.00 45.39 C ATOM 851 CD2 LEU A 586 10.266 26.660 16.219 1.00 45.25 C ATOM 852 H LEU A 586 12.274 27.353 19.767 1.00 0.00 H ATOM 853 N MET A 587 13.137 23.545 18.839 1.00 37.46 N ATOM 854 CA MET A 587 14.260 22.632 19.122 1.00 39.97 C ATOM 855 C MET A 587 14.738 22.061 17.797 1.00 37.42 C ATOM 856 O MET A 587 13.915 21.679 16.954 1.00 38.98 O ATOM 857 CB MET A 587 13.784 21.500 20.025 1.00 45.01 C ATOM 858 CG MET A 587 13.652 21.987 21.443 1.00 47.21 C ATOM 859 SD MET A 587 12.935 20.777 22.528 1.00 53.86 S ATOM 860 CE MET A 587 13.730 21.289 24.047 1.00 60.03 C ATOM 861 H MET A 587 12.282 23.144 18.403 1.00 0.00 H ATOM 862 N VAL A 588 16.029 22.097 17.575 1.00 34.85 N ATOM 863 CA VAL A 588 16.597 21.713 16.279 1.00 34.83 C ATOM 864 C VAL A 588 17.371 20.433 16.428 1.00 35.10 C ATOM 865 O VAL A 588 18.332 20.385 17.247 1.00 37.17 O ATOM 866 CB VAL A 588 17.539 22.763 15.726 1.00 37.43 C ATOM 867 CG1 VAL A 588 18.034 22.324 14.347 1.00 37.31 C ATOM 868 CG2 VAL A 588 16.843 24.099 15.763 1.00 39.48 C ATOM 869 H VAL A 588 16.666 22.406 18.337 1.00 0.00 H ATOM 870 N PHE A 589 17.101 19.569 15.480 1.00 33.66 N ATOM 871 CA PHE A 589 17.611 18.200 15.409 1.00 34.73 C ATOM 872 C PHE A 589 18.068 17.898 14.006 1.00 34.22 C ATOM 873 O PHE A 589 17.608 18.510 12.976 1.00 35.64 O ATOM 874 CB PHE A 589 16.516 17.212 15.791 1.00 34.87 C ATOM 875 CG PHE A 589 16.055 17.325 17.222 1.00 36.28 C ATOM 876 CD1 PHE A 589 16.658 16.571 18.213 1.00 39.46 C ATOM 877 CD2 PHE A 589 14.958 18.089 17.572 1.00 37.84 C ATOM 878 CE1 PHE A 589 16.211 16.619 19.521 1.00 36.42 C ATOM 879 CE2 PHE A 589 14.488 18.098 18.883 1.00 36.26 C ATOM 880 CZ PHE A 589 15.118 17.377 19.842 1.00 37.68 C ATOM 881 H PHE A 589 16.471 19.883 14.714 1.00 0.00 H ATOM 882 N GLU A 590 19.008 16.975 13.987 1.00 35.10 N ATOM 883 CA GLU A 590 19.475 16.251 12.773 1.00 37.41 C ATOM 884 C GLU A 590 18.230 15.666 12.104 1.00 34.49 C ATOM 885 O GLU A 590 17.335 15.202 12.808 1.00 37.42 O ATOM 886 CB GLU A 590 20.520 15.267 13.302 1.00 40.86 C ATOM 887 CG GLU A 590 20.976 14.238 12.344 1.00 46.71 C ATOM 888 CD GLU A 590 21.710 13.072 12.982 1.00 45.69 C ATOM 889 OE1 GLU A 590 22.486 12.467 12.263 1.00 55.37 O ATOM 890 OE2 GLU A 590 21.468 12.731 14.132 1.00 45.02 O ATOM 891 H GLU A 590 19.460 16.733 14.892 1.00 0.00 H ATOM 892 N TYR A 591 18.138 15.770 10.800 1.00 36.36 N ATOM 893 CA TYR A 591 17.098 15.129 9.964 1.00 35.01 C ATOM 894 C TYR A 591 17.575 13.714 9.645 1.00 35.77 C ATOM 895 O TYR A 591 18.607 13.549 9.069 1.00 38.65 O ATOM 896 CB TYR A 591 16.814 15.943 8.705 1.00 36.19 C ATOM 897 CG TYR A 591 15.788 15.311 7.807 1.00 36.70 C ATOM 898 CD1 TYR A 591 14.500 15.130 8.257 1.00 36.64 C ATOM 899 CD2 TYR A 591 16.125 14.813 6.555 1.00 38.95 C ATOM 900 CE1 TYR A 591 13.538 14.536 7.479 1.00 38.43 C ATOM 901 CE2 TYR A 591 15.181 14.132 5.789 1.00 39.89 C ATOM 902 CZ TYR A 591 13.887 14.011 6.249 1.00 39.39 C ATOM 903 OH TYR A 591 12.937 13.356 5.548 1.00 44.11 O ATOM 904 HH TYR A 591 12.083 13.383 6.047 1.00 0.00 H ATOM 905 H TYR A 591 18.853 16.349 10.314 1.00 0.00 H ATOM 906 N MET A 592 16.732 12.739 9.942 1.00 35.75 N ATOM 907 CA MET A 592 16.919 11.316 9.714 1.00 35.51 C ATOM 908 C MET A 592 15.912 10.890 8.627 1.00 36.63 C ATOM 909 O MET A 592 14.725 10.791 8.895 1.00 39.55 O ATOM 910 CB MET A 592 16.688 10.604 11.040 1.00 36.16 C ATOM 911 CG MET A 592 17.566 11.113 12.193 1.00 37.90 C ATOM 912 SD MET A 592 19.283 10.631 11.953 1.00 41.16 S ATOM 913 CE MET A 592 19.207 8.989 12.657 1.00 39.60 C ATOM 914 H MET A 592 15.836 13.022 10.388 1.00 0.00 H ATOM 915 N ARG A 593 16.392 10.554 7.438 1.00 40.30 N ATOM 916 CA ARG A 593 15.544 10.607 6.231 1.00 42.05 C ATOM 917 C ARG A 593 14.653 9.386 6.117 1.00 37.86 C ATOM 918 O ARG A 593 13.728 9.447 5.369 1.00 38.46 O ATOM 919 CB ARG A 593 16.389 10.824 4.982 1.00 45.40 C ATOM 920 CG ARG A 593 17.017 9.592 4.383 1.00 52.94 C ATOM 921 CD ARG A 593 17.645 9.973 3.051 1.00 58.91 C ATOM 922 NE ARG A 593 17.616 8.807 2.187 1.00 72.03 N ATOM 923 CZ ARG A 593 18.262 8.691 1.052 1.00 82.52 C ATOM 924 NH1 ARG A 593 18.995 9.700 0.598 1.00 88.93 N ATOM 925 NH2 ARG A 593 18.160 7.561 0.372 1.00 87.89 N ATOM 926 HE ARG A 593 17.037 7.999 2.493 1.00 0.00 H ATOM 927 HH12 ARG A 593 19.507 9.607 -0.302 1.00 0.00 H ATOM 928 HH11 ARG A 593 19.057 10.584 1.143 1.00 0.00 H ATOM 929 HH22 ARG A 593 18.665 7.450 -0.530 1.00 0.00 H ATOM 930 HH21 ARG A 593 17.575 6.784 0.740 1.00 0.00 H ATOM 931 H ARG A 593 17.382 10.248 7.354 1.00 0.00 H ATOM 932 N HIS A 594 14.910 8.297 6.819 1.00 38.91 N ATOM 933 CA HIS A 594 14.042 7.113 6.720 1.00 36.14 C ATOM 934 C HIS A 594 12.988 7.128 7.825 1.00 36.26 C ATOM 935 O HIS A 594 12.227 6.165 7.915 1.00 38.97 O ATOM 936 CB HIS A 594 14.890 5.861 6.773 1.00 40.22 C ATOM 937 CG HIS A 594 15.771 5.731 5.604 1.00 42.37 C ATOM 938 ND1 HIS A 594 15.258 5.427 4.366 1.00 48.46 N ATOM 939 CD2 HIS A 594 17.111 5.817 5.478 1.00 44.66 C ATOM 940 CE1 HIS A 594 16.247 5.392 3.486 1.00 44.69 C ATOM 941 NE2 HIS A 594 17.392 5.619 4.142 1.00 45.56 N ATOM 942 H HIS A 594 15.737 8.276 7.450 1.00 0.00 H ATOM 943 N GLY A 595 12.930 8.168 8.655 1.00 35.41 N ATOM 944 CA GLY A 595 11.929 8.227 9.729 1.00 33.96 C ATOM 945 C GLY A 595 12.176 7.207 10.828 1.00 33.32 C ATOM 946 O GLY A 595 13.315 6.884 11.182 1.00 34.16 O ATOM 947 H GLY A 595 13.604 8.951 8.541 1.00 0.00 H ATOM 948 N ASP A 596 11.117 6.763 11.458 1.00 33.79 N ATOM 949 CA ASP A 596 11.285 5.939 12.659 1.00 33.46 C ATOM 950 C ASP A 596 11.528 4.519 12.168 1.00 30.99 C ATOM 951 O ASP A 596 11.042 4.114 11.080 1.00 31.92 O ATOM 952 CB ASP A 596 10.167 6.209 13.658 1.00 34.48 C ATOM 953 CG ASP A 596 8.875 5.519 13.270 1.00 39.24 C ATOM 954 OD1 ASP A 596 8.850 4.264 13.316 1.00 40.60 O ATOM 955 OD2 ASP A 596 7.872 6.237 13.040 1.00 44.04 O ATOM 956 H ASP A 596 10.165 6.993 11.109 1.00 0.00 H ATOM 957 N LEU A 597 12.283 3.816 12.985 1.00 31.16 N ATOM 958 CA LEU A 597 12.706 2.432 12.744 1.00 30.83 C ATOM 959 C LEU A 597 11.503 1.516 12.590 1.00 30.72 C ATOM 960 O LEU A 597 11.630 0.537 11.900 1.00 30.34 O ATOM 961 CB LEU A 597 13.555 2.016 13.923 1.00 28.40 C ATOM 962 CG LEU A 597 14.173 0.642 13.806 1.00 29.47 C ATOM 963 CD1 LEU A 597 14.951 0.506 12.513 1.00 29.24 C ATOM 964 CD2 LEU A 597 15.070 0.397 15.023 1.00 30.39 C ATOM 965 H LEU A 597 12.602 4.273 13.863 1.00 0.00 H ATOM 966 N ASN A 598 10.365 1.816 13.199 1.00 31.58 N ATOM 967 CA ASN A 598 9.221 0.867 13.072 1.00 33.18 C ATOM 968 C ASN A 598 8.744 0.892 11.621 1.00 34.85 C ATOM 969 O ASN A 598 8.445 -0.162 11.079 1.00 33.93 O ATOM 970 CB ASN A 598 8.019 1.190 13.948 1.00 31.73 C ATOM 971 CG ASN A 598 7.034 0.058 13.959 1.00 31.50 C ATOM 972 OD1 ASN A 598 6.004 0.166 13.313 1.00 34.37 O ATOM 973 ND2 ASN A 598 7.364 -1.029 14.636 1.00 29.10 N ATOM 974 HD22 ASN A 598 8.257 -1.059 15.168 1.00 0.00 H ATOM 975 HD21 ASN A 598 6.730 -1.854 14.637 1.00 0.00 H ATOM 976 H ASN A 598 10.272 2.692 13.752 1.00 0.00 H ATOM 977 N ARG A 599 8.616 2.087 11.070 1.00 37.81 N ATOM 978 CA ARG A 599 8.167 2.337 9.684 1.00 42.96 C ATOM 979 C ARG A 599 9.205 1.775 8.697 1.00 39.95 C ATOM 980 O ARG A 599 8.838 1.160 7.733 1.00 41.21 O ATOM 981 CB ARG A 599 7.981 3.834 9.447 1.00 47.54 C ATOM 982 CG ARG A 599 6.859 4.081 8.452 1.00 63.09 C ATOM 983 CD ARG A 599 6.246 5.484 8.481 1.00 77.03 C ATOM 984 NE ARG A 599 6.718 6.252 7.321 1.00 89.90 N ATOM 985 CZ ARG A 599 7.871 6.926 7.245 1.00 94.90 C ATOM 986 NH1 ARG A 599 8.695 6.982 8.281 1.00 98.77 N ATOM 987 NH2 ARG A 599 8.184 7.567 6.130 1.00 93.98 N ATOM 988 HE ARG A 599 6.101 6.274 6.484 1.00 0.00 H ATOM 989 HH12 ARG A 599 9.588 7.510 8.207 1.00 0.00 H ATOM 990 HH11 ARG A 599 8.449 6.498 9.168 1.00 0.00 H ATOM 991 HH22 ARG A 599 9.079 8.092 6.066 1.00 0.00 H ATOM 992 HH21 ARG A 599 7.535 7.545 5.318 1.00 0.00 H ATOM 993 H ARG A 599 8.849 2.914 11.656 1.00 0.00 H ATOM 994 N PHE A 600 10.464 2.025 8.958 1.00 33.66 N ATOM 995 CA PHE A 600 11.547 1.471 8.169 1.00 36.87 C ATOM 996 C PHE A 600 11.462 -0.050 8.170 1.00 35.10 C ATOM 997 O PHE A 600 11.520 -0.622 7.078 1.00 36.75 O ATOM 998 CB PHE A 600 12.871 1.967 8.710 1.00 37.07 C ATOM 999 CG PHE A 600 13.980 1.475 7.848 1.00 37.61 C ATOM 1000 CD1 PHE A 600 14.165 2.004 6.591 1.00 39.47 C ATOM 1001 CD2 PHE A 600 14.819 0.481 8.287 1.00 40.38 C ATOM 1002 CE1 PHE A 600 15.218 1.569 5.821 1.00 39.68 C ATOM 1003 CE2 PHE A 600 15.857 0.026 7.502 1.00 41.43 C ATOM 1004 CZ PHE A 600 16.030 0.560 6.264 1.00 42.38 C ATOM 1005 H PHE A 600 10.695 2.644 9.761 1.00 0.00 H ATOM 1006 N LEU A 601 11.317 -0.670 9.335 1.00 34.65 N ATOM 1007 CA LEU A 601 11.217 -2.131 9.397 1.00 35.06 C ATOM 1008 C LEU A 601 10.008 -2.603 8.595 1.00 35.90 C ATOM 1009 O LEU A 601 10.174 -3.581 7.772 1.00 36.97 O ATOM 1010 CB LEU A 601 11.155 -2.626 10.823 1.00 34.59 C ATOM 1011 CG LEU A 601 12.407 -2.402 11.638 1.00 34.36 C ATOM 1012 CD1 LEU A 601 12.080 -2.463 13.105 1.00 34.55 C ATOM 1013 CD2 LEU A 601 13.497 -3.393 11.287 1.00 33.91 C ATOM 1014 H LEU A 601 11.274 -0.113 10.212 1.00 0.00 H ATOM 1015 N ARG A 602 8.880 -1.936 8.715 1.00 34.98 N ATOM 1016 CA ARG A 602 7.636 -2.433 8.045 1.00 37.15 C ATOM 1017 C ARG A 602 7.779 -2.328 6.537 1.00 40.23 C ATOM 1018 O ARG A 602 7.252 -3.180 5.835 1.00 44.65 O ATOM 1019 CB ARG A 602 6.398 -1.683 8.517 1.00 37.46 C ATOM 1020 CG ARG A 602 5.936 -2.195 9.874 1.00 40.24 C ATOM 1021 CD ARG A 602 4.897 -1.258 10.458 1.00 41.04 C ATOM 1022 NE ARG A 602 4.481 -1.642 11.794 1.00 43.27 N ATOM 1023 CZ ARG A 602 3.623 -2.632 12.067 1.00 46.32 C ATOM 1024 NH1 ARG A 602 3.110 -3.354 11.086 1.00 44.61 N ATOM 1025 NH2 ARG A 602 3.266 -2.897 13.321 1.00 47.56 N ATOM 1026 HE ARG A 602 4.877 -1.111 12.595 1.00 0.00 H ATOM 1027 HH12 ARG A 602 2.443 -4.123 11.300 1.00 0.00 H ATOM 1028 HH11 ARG A 602 3.373 -3.153 10.100 1.00 0.00 H ATOM 1029 HH22 ARG A 602 2.598 -3.669 13.519 1.00 0.00 H ATOM 1030 HH21 ARG A 602 3.655 -2.332 14.103 1.00 0.00 H ATOM 1031 H ARG A 602 8.852 -1.061 9.277 1.00 0.00 H ATOM 1032 N SER A 603 8.504 -1.336 6.044 1.00 41.18 N ATOM 1033 CA SER A 603 8.511 -1.066 4.601 1.00 43.18 C ATOM 1034 C SER A 603 9.703 -1.819 3.980 1.00 44.68 C ATOM 1035 O SER A 603 9.909 -1.639 2.781 1.00 46.64 O ATOM 1036 CB SER A 603 8.461 0.424 4.371 1.00 39.69 C ATOM 1037 OG SER A 603 9.648 0.932 4.880 1.00 45.28 O ATOM 1038 HG SER A 603 9.709 0.721 5.845 1.00 0.00 H ATOM 1039 H SER A 603 9.072 -0.744 6.683 1.00 0.00 H ATOM 1040 N HIS A 604 10.412 -2.658 4.753 1.00 43.03 N ATOM 1041 CA HIS A 604 11.485 -3.577 4.288 1.00 46.23 C ATOM 1042 C HIS A 604 11.258 -4.995 4.835 1.00 46.01 C ATOM 1043 O HIS A 604 12.243 -5.663 5.089 1.00 44.27 O ATOM 1044 CB HIS A 604 12.875 -3.048 4.628 1.00 46.56 C ATOM 1045 CG HIS A 604 13.113 -1.747 3.939 1.00 55.11 C ATOM 1046 ND1 HIS A 604 12.796 -0.518 4.530 1.00 59.46 N ATOM 1047 CD2 HIS A 604 13.478 -1.460 2.673 1.00 58.97 C ATOM 1048 CE1 HIS A 604 13.019 0.465 3.669 1.00 61.29 C ATOM 1049 NE2 HIS A 604 13.443 -0.079 2.542 1.00 59.20 N ATOM 1050 H HIS A 604 10.191 -2.666 5.769 1.00 0.00 H ATOM 1051 N GLY A 605 9.997 -5.392 4.983 1.00 48.28 N ATOM 1052 CA GLY A 605 9.556 -6.628 5.643 1.00 58.61 C ATOM 1053 C GLY A 605 9.662 -7.863 4.747 1.00 67.90 C ATOM 1054 O GLY A 605 10.264 -7.829 3.667 1.00 75.35 O ATOM 1055 H GLY A 605 9.257 -4.772 4.597 1.00 0.00 H ATOM 1056 N PRO A 606 9.121 -9.019 5.188 1.00 69.93 N ATOM 1057 CA PRO A 606 9.212 -10.242 4.401 1.00 75.37 C ATOM 1058 C PRO A 606 8.284 -10.152 3.175 1.00 80.48 C ATOM 1059 O PRO A 606 8.615 -10.768 2.148 1.00 76.11 O ATOM 1060 CB PRO A 606 8.843 -11.357 5.378 1.00 75.20 C ATOM 1061 CG PRO A 606 8.046 -10.675 6.475 1.00 77.73 C ATOM 1062 CD PRO A 606 8.345 -9.187 6.419 1.00 73.90 C ATOM 1063 N ASP A 607 7.198 -9.367 3.270 1.00 83.88 N ATOM 1064 CA ASP A 607 6.284 -9.078 2.123 1.00 90.35 C ATOM 1065 C ASP A 607 7.050 -8.317 1.000 1.00 96.19 C ATOM 1066 O ASP A 607 6.694 -8.530 -0.165 1.00102.48 O ATOM 1067 CB ASP A 607 4.956 -8.437 2.584 1.00 89.73 C ATOM 1068 CG ASP A 607 5.002 -7.434 3.745 1.00 91.65 C ATOM 1069 OD1 ASP A 607 5.808 -7.646 4.684 1.00 85.13 O ATOM 1070 OD2 ASP A 607 4.214 -6.442 3.709 1.00 77.75 O ATOM 1071 H ASP A 607 6.981 -8.937 4.192 1.00 0.00 H ATOM 1072 N ALA A 608 8.094 -7.509 1.293 1.00 95.51 N ATOM 1073 CA ALA A 608 8.935 -6.767 0.306 1.00 81.86 C ATOM 1074 C ALA A 608 9.691 -7.754 -0.597 1.00 88.82 C ATOM 1075 O ALA A 608 10.559 -7.276 -1.366 1.00 82.73 O ATOM 1076 CB ALA A 608 9.916 -5.840 0.992 1.00 74.04 C ATOM 1077 H ALA A 608 8.334 -7.393 2.298 1.00 0.00 H TER 1078 ALA A 608 ATOM 1079 N ALA A 612 10.702 -2.764 -2.979 1.00 89.36 N ATOM 1080 CA ALA A 612 11.372 -1.452 -3.158 1.00 88.71 C ATOM 1081 C ALA A 612 12.675 -1.394 -2.326 1.00 85.54 C ATOM 1082 O ALA A 612 12.600 -1.072 -1.106 1.00 74.79 O ATOM 1083 CB ALA A 612 10.411 -0.329 -2.811 1.00 90.01 C ATOM 1084 HN3 ALA A 612 10.469 -2.899 -1.974 1.00 0.00 H ATOM 1085 HN2 ALA A 612 11.339 -3.523 -3.293 1.00 0.00 H ATOM 1086 HN1 ALA A 612 9.829 -2.786 -3.544 1.00 0.00 H ATOM 1087 N GLY A 613 13.814 -1.733 -2.973 1.00 80.04 N ATOM 1088 CA GLY A 613 15.201 -1.338 -2.623 1.00 73.68 C ATOM 1089 C GLY A 613 15.620 0.040 -3.193 1.00 71.97 C ATOM 1090 O GLY A 613 14.948 0.564 -4.127 1.00 75.32 O ATOM 1091 H GLY A 613 13.705 -2.339 -3.811 1.00 0.00 H ATOM 1092 N GLY A 614 16.704 0.639 -2.677 1.00 58.98 N ATOM 1093 CA GLY A 614 17.056 2.034 -2.998 1.00 56.44 C ATOM 1094 C GLY A 614 18.506 2.333 -2.734 1.00 49.81 C ATOM 1095 O GLY A 614 19.339 1.461 -2.917 1.00 49.61 O ATOM 1096 H GLY A 614 17.316 0.102 -2.030 1.00 0.00 H ATOM 1097 N GLU A 615 18.761 3.532 -2.273 1.00 47.30 N ATOM 1098 CA GLU A 615 20.103 4.127 -2.120 1.00 53.86 C ATOM 1099 C GLU A 615 20.867 3.485 -0.945 1.00 53.16 C ATOM 1100 O GLU A 615 22.110 3.382 -1.025 1.00 56.97 O ATOM 1101 CB GLU A 615 19.891 5.624 -1.950 1.00 53.03 C ATOM 1102 CG GLU A 615 21.152 6.452 -1.842 1.00 56.41 C ATOM 1103 CD GLU A 615 20.880 7.954 -1.871 1.00 62.02 C ATOM 1104 OE1 GLU A 615 19.750 8.350 -2.259 1.00 63.18 O ATOM 1105 OE2 GLU A 615 21.793 8.735 -1.510 1.00 66.60 O ATOM 1106 H GLU A 615 17.948 4.115 -1.990 1.00 0.00 H ATOM 1107 N ASP A 616 20.162 3.067 0.099 1.00 53.84 N ATOM 1108 CA ASP A 616 20.711 2.690 1.430 1.00 52.86 C ATOM 1109 C ASP A 616 20.461 1.216 1.725 1.00 51.11 C ATOM 1110 O ASP A 616 21.075 0.710 2.632 1.00 55.38 O ATOM 1111 CB ASP A 616 19.990 3.491 2.519 1.00 55.22 C ATOM 1112 CG ASP A 616 20.485 4.921 2.606 1.00 56.35 C ATOM 1113 OD1 ASP A 616 21.535 5.207 2.011 1.00 61.84 O ATOM 1114 OD2 ASP A 616 19.816 5.725 3.209 1.00 56.37 O ATOM 1115 H ASP A 616 19.132 2.996 -0.024 1.00 0.00 H ATOM 1116 N VAL A 617 19.532 0.581 1.015 1.00 51.80 N ATOM 1117 CA VAL A 617 18.997 -0.757 1.374 1.00 54.55 C ATOM 1118 C VAL A 617 18.852 -1.562 0.091 1.00 49.15 C ATOM 1119 O VAL A 617 18.260 -1.052 -0.823 1.00 49.80 O ATOM 1120 CB VAL A 617 17.603 -0.681 2.030 1.00 59.08 C ATOM 1121 CG1 VAL A 617 17.481 -1.628 3.199 1.00 55.15 C ATOM 1122 CG2 VAL A 617 17.213 0.741 2.420 1.00 66.02 C ATOM 1123 H VAL A 617 19.160 1.047 0.163 1.00 0.00 H ATOM 1124 N ALA A 618 19.227 -2.821 0.102 1.00 50.11 N ATOM 1125 CA ALA A 618 18.876 -3.770 -0.967 1.00 51.22 C ATOM 1126 C ALA A 618 17.359 -3.804 -1.164 1.00 53.26 C ATOM 1127 O ALA A 618 16.576 -3.380 -0.312 1.00 46.99 O ATOM 1128 CB ALA A 618 19.426 -5.118 -0.599 1.00 51.87 C ATOM 1129 H ALA A 618 19.797 -3.162 0.902 1.00 0.00 H ATOM 1130 N PRO A 619 16.896 -4.360 -2.302 1.00 59.78 N ATOM 1131 CA PRO A 619 15.496 -4.740 -2.455 1.00 63.13 C ATOM 1132 C PRO A 619 15.283 -5.932 -1.515 1.00 65.03 C ATOM 1133 O PRO A 619 16.272 -6.463 -0.977 1.00 61.41 O ATOM 1134 CB PRO A 619 15.402 -5.183 -3.928 1.00 64.18 C ATOM 1135 CG PRO A 619 16.791 -5.753 -4.220 1.00 62.43 C ATOM 1136 CD PRO A 619 17.697 -4.801 -3.464 1.00 62.46 C ATOM 1137 N GLY A 620 14.033 -6.344 -1.339 1.00 63.04 N ATOM 1138 CA GLY A 620 13.722 -7.508 -0.489 1.00 62.86 C ATOM 1139 C GLY A 620 13.780 -7.216 1.008 1.00 57.36 C ATOM 1140 O GLY A 620 14.076 -6.127 1.489 1.00 52.60 O ATOM 1141 H GLY A 620 13.258 -5.835 -1.810 1.00 0.00 H ATOM 1142 N PRO A 621 13.449 -8.242 1.792 1.00 56.63 N ATOM 1143 CA PRO A 621 13.510 -8.122 3.234 1.00 55.32 C ATOM 1144 C PRO A 621 14.949 -7.810 3.658 1.00 52.01 C ATOM 1145 O PRO A 621 15.878 -8.337 3.146 1.00 54.45 O ATOM 1146 CB PRO A 621 13.024 -9.508 3.725 1.00 55.53 C ATOM 1147 CG PRO A 621 13.231 -10.439 2.539 1.00 58.20 C ATOM 1148 CD PRO A 621 12.991 -9.564 1.329 1.00 58.27 C ATOM 1149 N LEU A 622 15.102 -7.017 4.688 1.00 47.76 N ATOM 1150 CA LEU A 622 16.446 -6.805 5.257 1.00 48.96 C ATOM 1151 C LEU A 622 17.019 -8.160 5.640 1.00 54.22 C ATOM 1152 O LEU A 622 16.266 -9.027 6.210 1.00 49.31 O ATOM 1153 CB LEU A 622 16.367 -5.905 6.480 1.00 49.51 C ATOM 1154 CG LEU A 622 15.574 -4.603 6.341 1.00 50.57 C ATOM 1155 CD1 LEU A 622 15.461 -3.930 7.713 1.00 49.38 C ATOM 1156 CD2 LEU A 622 16.228 -3.667 5.325 1.00 49.01 C ATOM 1157 H LEU A 622 14.278 -6.538 5.104 1.00 0.00 H ATOM 1158 N GLY A 623 18.312 -8.314 5.381 1.00 57.25 N ATOM 1159 CA GLY A 623 19.023 -9.561 5.690 1.00 54.51 C ATOM 1160 C GLY A 623 19.462 -9.608 7.141 1.00 54.03 C ATOM 1161 O GLY A 623 19.392 -8.582 7.862 1.00 48.49 O ATOM 1162 H GLY A 623 18.837 -7.528 4.946 1.00 0.00 H ATOM 1163 N LEU A 624 19.918 -10.785 7.537 1.00 51.14 N ATOM 1164 CA LEU A 624 20.409 -11.075 8.892 1.00 51.61 C ATOM 1165 C LEU A 624 21.410 -9.987 9.258 1.00 49.57 C ATOM 1166 O LEU A 624 21.292 -9.443 10.370 1.00 48.87 O ATOM 1167 CB LEU A 624 21.069 -12.451 8.855 1.00 51.03 C ATOM 1168 CG LEU A 624 21.529 -13.013 10.186 1.00 53.36 C ATOM 1169 CD1 LEU A 624 20.664 -12.520 11.331 1.00 54.15 C ATOM 1170 CD2 LEU A 624 21.503 -14.537 10.108 1.00 55.55 C ATOM 1171 H LEU A 624 19.930 -11.558 6.842 1.00 0.00 H ATOM 1172 N GLY A 625 22.359 -9.744 8.356 1.00 46.65 N ATOM 1173 CA GLY A 625 23.472 -8.802 8.536 1.00 48.48 C ATOM 1174 C GLY A 625 22.935 -7.433 8.917 1.00 46.93 C ATOM 1175 O GLY A 625 23.459 -6.825 9.870 1.00 48.46 O ATOM 1176 H GLY A 625 22.308 -10.261 7.455 1.00 0.00 H ATOM 1177 N GLN A 626 21.894 -7.021 8.223 1.00 44.98 N ATOM 1178 CA GLN A 626 21.297 -5.670 8.317 1.00 49.29 C ATOM 1179 C GLN A 626 20.540 -5.585 9.648 1.00 44.06 C ATOM 1180 O GLN A 626 20.768 -4.634 10.375 1.00 40.78 O ATOM 1181 CB GLN A 626 20.408 -5.363 7.099 1.00 51.23 C ATOM 1182 CG GLN A 626 21.197 -4.978 5.843 1.00 57.44 C ATOM 1183 CD GLN A 626 21.727 -6.186 5.092 1.00 68.88 C ATOM 1184 OE1 GLN A 626 21.093 -7.257 5.015 1.00 73.45 O ATOM 1185 NE2 GLN A 626 22.930 -6.039 4.547 1.00 66.43 N ATOM 1186 HE22 GLN A 626 23.431 -5.132 4.630 1.00 0.00 H ATOM 1187 HE21 GLN A 626 23.370 -6.831 4.037 1.00 0.00 H ATOM 1188 H GLN A 626 21.460 -7.695 7.560 1.00 0.00 H ATOM 1189 N LEU A 627 19.734 -6.604 9.948 1.00 41.94 N ATOM 1190 CA LEU A 627 18.922 -6.682 11.177 1.00 39.27 C ATOM 1191 C LEU A 627 19.837 -6.659 12.374 1.00 40.69 C ATOM 1192 O LEU A 627 19.559 -5.881 13.275 1.00 45.55 O ATOM 1193 CB LEU A 627 18.021 -7.901 11.179 1.00 38.41 C ATOM 1194 CG LEU A 627 16.976 -7.920 10.080 1.00 40.19 C ATOM 1195 CD1 LEU A 627 16.351 -9.294 10.009 1.00 42.94 C ATOM 1196 CD2 LEU A 627 15.917 -6.842 10.261 1.00 40.47 C ATOM 1197 H LEU A 627 19.674 -7.393 9.273 1.00 0.00 H ATOM 1198 N LEU A 628 20.953 -7.360 12.330 1.00 43.03 N ATOM 1199 CA LEU A 628 21.926 -7.348 13.441 1.00 42.67 C ATOM 1200 C LEU A 628 22.606 -5.982 13.594 1.00 41.36 C ATOM 1201 O LEU A 628 22.980 -5.662 14.710 1.00 39.16 O ATOM 1202 CB LEU A 628 22.939 -8.469 13.183 1.00 49.91 C ATOM 1203 CG LEU A 628 22.426 -9.888 13.463 1.00 51.19 C ATOM 1204 CD1 LEU A 628 23.266 -10.949 12.742 1.00 52.26 C ATOM 1205 CD2 LEU A 628 22.415 -10.153 14.962 1.00 50.15 C ATOM 1206 H LEU A 628 21.154 -7.938 11.489 1.00 0.00 H ATOM 1207 N ALA A 629 22.867 -5.243 12.504 1.00 44.92 N ATOM 1208 CA ALA A 629 23.615 -3.961 12.500 1.00 40.70 C ATOM 1209 C ALA A 629 22.690 -2.881 13.087 1.00 41.91 C ATOM 1210 O ALA A 629 23.104 -2.053 13.904 1.00 41.55 O ATOM 1211 CB ALA A 629 23.991 -3.631 11.067 1.00 41.32 C ATOM 1212 H ALA A 629 22.518 -5.597 11.591 1.00 0.00 H ATOM 1213 N VAL A 630 21.421 -2.947 12.711 1.00 39.19 N ATOM 1214 CA VAL A 630 20.335 -2.167 13.369 1.00 39.82 C ATOM 1215 C VAL A 630 20.268 -2.410 14.903 1.00 37.17 C ATOM 1216 O VAL A 630 20.367 -1.435 15.676 1.00 37.20 O ATOM 1217 CB VAL A 630 19.015 -2.537 12.691 1.00 39.52 C ATOM 1218 CG1 VAL A 630 17.842 -2.116 13.575 1.00 40.17 C ATOM 1219 CG2 VAL A 630 18.983 -1.925 11.304 1.00 36.74 C ATOM 1220 H VAL A 630 21.171 -3.573 11.919 1.00 0.00 H ATOM 1221 N ALA A 631 20.111 -3.646 15.349 1.00 35.60 N ATOM 1222 CA ALA A 631 19.997 -3.995 16.778 1.00 36.93 C ATOM 1223 C ALA A 631 21.241 -3.507 17.525 1.00 37.33 C ATOM 1224 O ALA A 631 21.162 -2.932 18.647 1.00 38.18 O ATOM 1225 CB ALA A 631 19.877 -5.480 16.917 1.00 35.11 C ATOM 1226 H ALA A 631 20.065 -4.416 14.652 1.00 0.00 H ATOM 1227 N SER A 632 22.370 -3.783 16.931 1.00 35.01 N ATOM 1228 CA SER A 632 23.666 -3.394 17.503 1.00 39.78 C ATOM 1229 C SER A 632 23.720 -1.882 17.728 1.00 38.81 C ATOM 1230 O SER A 632 24.198 -1.475 18.777 1.00 39.37 O ATOM 1231 CB SER A 632 24.794 -3.846 16.608 1.00 41.20 C ATOM 1232 OG SER A 632 26.009 -3.496 17.258 1.00 46.13 O ATOM 1233 HG SER A 632 26.040 -2.516 17.391 1.00 0.00 H ATOM 1234 H SER A 632 22.352 -4.294 16.025 1.00 0.00 H ATOM 1235 N GLN A 633 23.282 -1.076 16.758 1.00 37.72 N ATOM 1236 CA GLN A 633 23.304 0.401 16.897 1.00 41.75 C ATOM 1237 C GLN A 633 22.380 0.833 18.051 1.00 37.41 C ATOM 1238 O GLN A 633 22.730 1.730 18.827 1.00 37.00 O ATOM 1239 CB GLN A 633 22.940 1.063 15.563 1.00 40.52 C ATOM 1240 CG GLN A 633 24.027 0.874 14.515 1.00 41.34 C ATOM 1241 CD GLN A 633 23.637 1.545 13.212 1.00 41.50 C ATOM 1242 OE1 GLN A 633 23.741 2.752 13.053 1.00 43.50 O ATOM 1243 NE2 GLN A 633 23.139 0.774 12.287 1.00 37.30 N ATOM 1244 HE22 GLN A 633 23.062 -0.250 12.450 1.00 0.00 H ATOM 1245 HE21 GLN A 633 22.818 1.183 11.386 1.00 0.00 H ATOM 1246 H GLN A 633 22.915 -1.495 15.880 1.00 0.00 H ATOM 1247 N VAL A 634 21.231 0.214 18.168 1.00 37.33 N ATOM 1248 CA VAL A 634 20.246 0.627 19.192 1.00 37.76 C ATOM 1249 C VAL A 634 20.923 0.288 20.517 1.00 41.33 C ATOM 1250 O VAL A 634 20.900 1.125 21.424 1.00 40.53 O ATOM 1251 CB VAL A 634 18.900 -0.094 19.023 1.00 37.36 C ATOM 1252 CG1 VAL A 634 17.979 0.160 20.214 1.00 40.90 C ATOM 1253 CG2 VAL A 634 18.201 0.325 17.757 1.00 37.05 C ATOM 1254 H VAL A 634 21.008 -0.578 17.532 1.00 0.00 H ATOM 1255 N ALA A 635 21.534 -0.891 20.604 1.00 41.32 N ATOM 1256 CA ALA A 635 22.187 -1.342 21.854 1.00 42.89 C ATOM 1257 C ALA A 635 23.324 -0.374 22.206 1.00 43.51 C ATOM 1258 O ALA A 635 23.541 -0.117 23.395 1.00 42.20 O ATOM 1259 CB ALA A 635 22.647 -2.763 21.688 1.00 41.83 C ATOM 1260 H ALA A 635 21.553 -1.513 19.771 1.00 0.00 H ATOM 1261 N ALA A 636 24.038 0.146 21.203 1.00 44.03 N ATOM 1262 CA ALA A 636 25.162 1.090 21.439 1.00 43.94 C ATOM 1263 C ALA A 636 24.603 2.330 22.119 1.00 41.79 C ATOM 1264 O ALA A 636 25.214 2.809 23.051 1.00 42.49 O ATOM 1265 CB ALA A 636 25.878 1.448 20.165 1.00 43.05 C ATOM 1266 H ALA A 636 23.800 -0.118 20.226 1.00 0.00 H ATOM 1267 N GLY A 637 23.466 2.834 21.658 1.00 39.27 N ATOM 1268 CA GLY A 637 22.860 3.992 22.326 1.00 39.44 C ATOM 1269 C GLY A 637 22.401 3.653 23.739 1.00 41.02 C ATOM 1270 O GLY A 637 22.526 4.536 24.631 1.00 42.90 O ATOM 1271 H GLY A 637 23.006 2.411 20.827 1.00 0.00 H ATOM 1272 N MET A 638 21.861 2.447 23.964 1.00 40.59 N ATOM 1273 CA MET A 638 21.431 2.013 25.314 1.00 41.97 C ATOM 1274 C MET A 638 22.690 1.883 26.213 1.00 44.65 C ATOM 1275 O MET A 638 22.684 2.382 27.352 1.00 43.50 O ATOM 1276 CB MET A 638 20.589 0.734 25.235 1.00 44.90 C ATOM 1277 CG MET A 638 19.190 0.972 24.613 1.00 47.69 C ATOM 1278 SD MET A 638 18.317 2.482 25.330 1.00 57.37 S ATOM 1279 CE MET A 638 17.996 1.779 26.960 1.00 57.54 C ATOM 1280 H MET A 638 21.740 1.794 23.164 1.00 0.00 H ATOM 1281 N VAL A 639 23.814 1.426 25.695 1.00 44.33 N ATOM 1282 CA VAL A 639 25.068 1.389 26.515 1.00 46.05 C ATOM 1283 C VAL A 639 25.362 2.815 27.009 1.00 48.89 C ATOM 1284 O VAL A 639 25.607 3.022 28.242 1.00 51.54 O ATOM 1285 CB VAL A 639 26.227 0.756 25.729 1.00 44.19 C ATOM 1286 CG1 VAL A 639 27.576 0.977 26.381 1.00 46.26 C ATOM 1287 CG2 VAL A 639 25.978 -0.729 25.497 1.00 44.16 C ATOM 1288 H VAL A 639 23.830 1.089 24.711 1.00 0.00 H ATOM 1289 N TYR A 640 25.255 3.801 26.133 1.00 48.03 N ATOM 1290 CA TYR A 640 25.704 5.157 26.495 1.00 47.61 C ATOM 1291 C TYR A 640 24.741 5.688 27.542 1.00 48.15 C ATOM 1292 O TYR A 640 25.218 6.186 28.526 1.00 51.03 O ATOM 1293 CB TYR A 640 25.903 6.005 25.245 1.00 48.65 C ATOM 1294 CG TYR A 640 25.945 7.474 25.528 1.00 50.51 C ATOM 1295 CD1 TYR A 640 27.097 8.104 25.957 1.00 50.40 C ATOM 1296 CD2 TYR A 640 24.802 8.220 25.362 1.00 49.62 C ATOM 1297 CE1 TYR A 640 27.115 9.468 26.204 1.00 51.94 C ATOM 1298 CE2 TYR A 640 24.790 9.572 25.622 1.00 50.90 C ATOM 1299 CZ TYR A 640 25.949 10.198 26.037 1.00 51.89 C ATOM 1300 OH TYR A 640 25.858 11.529 26.254 1.00 51.63 O ATOM 1301 HH TYR A 640 26.738 11.876 26.546 1.00 0.00 H ATOM 1302 H TYR A 640 24.855 3.619 25.191 1.00 0.00 H ATOM 1303 N LEU A 641 23.434 5.502 27.374 1.00 49.78 N ATOM 1304 CA LEU A 641 22.443 5.989 28.374 1.00 51.14 C ATOM 1305 C LEU A 641 22.679 5.321 29.739 1.00 53.02 C ATOM 1306 O LEU A 641 22.656 6.045 30.756 1.00 52.09 O ATOM 1307 CB LEU A 641 20.999 5.781 27.899 1.00 48.63 C ATOM 1308 CG LEU A 641 20.604 6.606 26.668 1.00 49.10 C ATOM 1309 CD1 LEU A 641 19.132 6.421 26.297 1.00 47.71 C ATOM 1310 CD2 LEU A 641 20.913 8.069 26.875 1.00 48.35 C ATOM 1311 H LEU A 641 23.097 5.005 26.525 1.00 0.00 H ATOM 1312 N ALA A 642 22.809 3.998 29.792 1.00 53.55 N ATOM 1313 CA ALA A 642 23.066 3.261 31.056 1.00 57.07 C ATOM 1314 C ALA A 642 24.375 3.746 31.695 1.00 57.89 C ATOM 1315 O ALA A 642 24.397 3.861 32.908 1.00 62.10 O ATOM 1316 CB ALA A 642 23.100 1.776 30.807 1.00 57.60 C ATOM 1317 H ALA A 642 22.727 3.455 28.909 1.00 0.00 H ATOM 1318 N GLY A 643 25.420 3.981 30.899 1.00 57.04 N ATOM 1319 CA GLY A 643 26.679 4.620 31.336 1.00 59.39 C ATOM 1320 C GLY A 643 26.432 5.859 32.194 1.00 63.27 C ATOM 1321 O GLY A 643 27.061 5.948 33.261 1.00 66.60 O ATOM 1322 H GLY A 643 25.343 3.695 29.902 1.00 0.00 H ATOM 1323 N LEU A 644 25.531 6.757 31.756 1.00 63.82 N ATOM 1324 CA LEU A 644 25.054 7.969 32.477 1.00 60.99 C ATOM 1325 C LEU A 644 23.932 7.642 33.469 1.00 61.40 C ATOM 1326 O LEU A 644 23.306 8.594 33.964 1.00 62.57 O ATOM 1327 CB LEU A 644 24.508 8.968 31.463 1.00 62.58 C ATOM 1328 CG LEU A 644 25.418 9.358 30.298 1.00 70.34 C ATOM 1329 CD1 LEU A 644 24.939 10.681 29.713 1.00 68.76 C ATOM 1330 CD2 LEU A 644 26.889 9.467 30.700 1.00 71.70 C ATOM 1331 H LEU A 644 25.125 6.586 30.814 1.00 0.00 H ATOM 1332 N HIS A 645 23.608 6.370 33.706 1.00 62.32 N ATOM 1333 CA HIS A 645 22.501 5.956 34.625 1.00 65.46 C ATOM 1334 C HIS A 645 21.170 6.659 34.232 1.00 62.86 C ATOM 1335 O HIS A 645 20.275 6.895 35.109 1.00 57.27 O ATOM 1336 CB HIS A 645 22.974 6.179 36.087 1.00 67.85 C ATOM 1337 CG HIS A 645 24.440 5.917 36.295 1.00 67.57 C ATOM 1338 ND1 HIS A 645 24.964 4.621 36.371 1.00 66.96 N ATOM 1339 CD2 HIS A 645 25.498 6.773 36.392 1.00 65.21 C ATOM 1340 CE1 HIS A 645 26.288 4.701 36.493 1.00 69.12 C ATOM 1341 NE2 HIS A 645 26.643 6.025 36.533 1.00 62.71 N ATOM 1342 H HIS A 645 24.154 5.626 33.227 1.00 0.00 H ATOM 1343 N PHE A 646 21.000 7.004 32.954 1.00 60.92 N ATOM 1344 CA PHE A 646 19.729 7.586 32.445 1.00 59.89 C ATOM 1345 C PHE A 646 18.805 6.411 32.089 1.00 56.10 C ATOM 1346 O PHE A 646 19.276 5.396 31.544 1.00 63.17 O ATOM 1347 CB PHE A 646 19.982 8.539 31.284 1.00 63.02 C ATOM 1348 CG PHE A 646 18.724 9.174 30.762 1.00 70.33 C ATOM 1349 CD1 PHE A 646 18.191 10.302 31.380 1.00 78.31 C ATOM 1350 CD2 PHE A 646 18.052 8.634 29.674 1.00 74.04 C ATOM 1351 CE1 PHE A 646 17.014 10.883 30.923 1.00 77.78 C ATOM 1352 CE2 PHE A 646 16.884 9.225 29.204 1.00 77.14 C ATOM 1353 CZ PHE A 646 16.371 10.353 29.826 1.00 78.58 C ATOM 1354 H PHE A 646 21.786 6.860 32.288 1.00 0.00 H ATOM 1355 N VAL A 647 17.542 6.508 32.454 1.00 49.88 N ATOM 1356 CA VAL A 647 16.522 5.454 32.224 1.00 49.18 C ATOM 1357 C VAL A 647 15.597 5.979 31.132 1.00 47.36 C ATOM 1358 O VAL A 647 15.107 7.106 31.292 1.00 49.18 O ATOM 1359 CB VAL A 647 15.734 5.143 33.519 1.00 50.68 C ATOM 1360 CG1 VAL A 647 14.612 4.153 33.256 1.00 51.38 C ATOM 1361 CG2 VAL A 647 16.635 4.584 34.614 1.00 52.68 C ATOM 1362 H VAL A 647 17.240 7.380 32.934 1.00 0.00 H ATOM 1363 N HIS A 648 15.314 5.200 30.092 1.00 44.67 N ATOM 1364 CA HIS A 648 14.484 5.671 28.955 1.00 42.95 C ATOM 1365 C HIS A 648 13.000 5.593 29.294 1.00 42.74 C ATOM 1366 O HIS A 648 12.331 6.644 29.238 1.00 43.12 O ATOM 1367 CB HIS A 648 14.879 4.981 27.645 1.00 42.63 C ATOM 1368 CG HIS A 648 14.318 5.667 26.443 1.00 42.25 C ATOM 1369 ND1 HIS A 648 12.967 5.619 26.134 1.00 40.94 N ATOM 1370 CD2 HIS A 648 14.903 6.415 25.482 1.00 41.68 C ATOM 1371 CE1 HIS A 648 12.761 6.306 25.021 1.00 44.07 C ATOM 1372 NE2 HIS A 648 13.925 6.807 24.604 1.00 41.55 N ATOM 1373 H HIS A 648 15.686 4.229 30.075 1.00 0.00 H ATOM 1374 N ARG A 649 12.505 4.393 29.581 1.00 45.87 N ATOM 1375 CA ARG A 649 11.103 4.094 29.966 1.00 44.23 C ATOM 1376 C ARG A 649 10.235 3.927 28.731 1.00 42.40 C ATOM 1377 O ARG A 649 9.149 3.404 28.927 1.00 43.06 O ATOM 1378 CB ARG A 649 10.481 5.142 30.901 1.00 50.99 C ATOM 1379 CG ARG A 649 11.180 5.238 32.259 1.00 58.25 C ATOM 1380 CD ARG A 649 10.967 6.527 33.035 1.00 65.48 C ATOM 1381 NE ARG A 649 9.599 6.571 33.508 1.00 73.55 N ATOM 1382 CZ ARG A 649 9.201 6.446 34.774 1.00 79.06 C ATOM 1383 NH1 ARG A 649 10.078 6.302 35.757 1.00 82.66 N ATOM 1384 NH2 ARG A 649 7.907 6.470 35.050 1.00 76.85 N ATOM 1385 HE ARG A 649 8.857 6.713 32.793 1.00 0.00 H ATOM 1386 HH12 ARG A 649 9.748 6.206 36.739 1.00 0.00 H ATOM 1387 HH11 ARG A 649 11.096 6.285 35.547 1.00 0.00 H ATOM 1388 HH22 ARG A 649 7.583 6.374 36.034 1.00 0.00 H ATOM 1389 HH21 ARG A 649 7.214 6.585 34.283 1.00 0.00 H ATOM 1390 H ARG A 649 13.162 3.588 29.531 1.00 0.00 H ATOM 1391 N ASP A 650 10.626 4.372 27.521 1.00 41.19 N ATOM 1392 CA ASP A 650 9.771 4.137 26.325 1.00 38.10 C ATOM 1393 C ASP A 650 10.612 3.646 25.160 1.00 35.15 C ATOM 1394 O ASP A 650 10.346 4.037 24.004 1.00 33.92 O ATOM 1395 CB ASP A 650 8.911 5.338 25.919 1.00 36.95 C ATOM 1396 CG ASP A 650 7.714 4.929 25.044 1.00 39.03 C ATOM 1397 OD1 ASP A 650 7.478 3.684 24.864 1.00 41.23 O ATOM 1398 OD2 ASP A 650 6.990 5.834 24.545 1.00 43.26 O ATOM 1399 H ASP A 650 11.527 4.881 27.422 1.00 0.00 H ATOM 1400 N LEU A 651 11.599 2.823 25.442 1.00 37.01 N ATOM 1401 CA LEU A 651 12.428 2.214 24.372 1.00 34.83 C ATOM 1402 C LEU A 651 11.538 1.282 23.513 1.00 32.42 C ATOM 1403 O LEU A 651 10.938 0.332 24.061 1.00 32.11 O ATOM 1404 CB LEU A 651 13.615 1.507 25.000 1.00 35.93 C ATOM 1405 CG LEU A 651 14.443 0.767 23.944 1.00 40.79 C ATOM 1406 CD1 LEU A 651 14.966 1.727 22.901 1.00 41.46 C ATOM 1407 CD2 LEU A 651 15.606 0.007 24.553 1.00 43.77 C ATOM 1408 H LEU A 651 11.803 2.594 26.436 1.00 0.00 H ATOM 1409 N ALA A 652 11.447 1.565 22.218 1.00 29.10 N ATOM 1410 CA ALA A 652 10.650 0.868 21.166 1.00 29.84 C ATOM 1411 C ALA A 652 11.170 1.306 19.796 1.00 29.91 C ATOM 1412 O ALA A 652 11.816 2.381 19.697 1.00 31.89 O ATOM 1413 CB ALA A 652 9.189 1.230 21.304 1.00 29.76 C ATOM 1414 H ALA A 652 12.005 2.381 21.894 1.00 0.00 H ATOM 1415 N THR A 653 10.878 0.569 18.730 1.00 33.34 N ATOM 1416 CA THR A 653 11.456 0.888 17.407 1.00 32.31 C ATOM 1417 C THR A 653 10.885 2.246 17.020 1.00 31.42 C ATOM 1418 O THR A 653 11.575 3.020 16.371 1.00 33.06 O ATOM 1419 CB THR A 653 11.257 -0.199 16.353 1.00 32.40 C ATOM 1420 OG1 THR A 653 9.878 -0.569 16.258 1.00 30.36 O ATOM 1421 CG2 THR A 653 12.127 -1.408 16.652 1.00 36.29 C ATOM 1422 HG1 THR A 653 9.569 -0.912 17.133 1.00 0.00 H ATOM 1423 H THR A 653 10.235 -0.242 18.827 1.00 0.00 H ATOM 1424 N ARG A 654 9.660 2.532 17.438 1.00 32.20 N ATOM 1425 CA ARG A 654 8.980 3.814 17.072 1.00 32.19 C ATOM 1426 C ARG A 654 9.768 5.033 17.544 1.00 29.28 C ATOM 1427 O ARG A 654 9.571 6.059 17.023 1.00 27.84 O ATOM 1428 CB ARG A 654 7.558 3.866 17.631 1.00 32.33 C ATOM 1429 CG ARG A 654 7.395 3.576 19.105 1.00 31.14 C ATOM 1430 CD ARG A 654 5.945 3.803 19.539 1.00 32.37 C ATOM 1431 NE ARG A 654 5.875 3.563 20.978 1.00 33.74 N ATOM 1432 CZ ARG A 654 5.892 2.371 21.565 1.00 34.74 C ATOM 1433 NH1 ARG A 654 5.988 1.249 20.864 1.00 34.45 N ATOM 1434 NH2 ARG A 654 5.908 2.322 22.875 1.00 35.72 N ATOM 1435 HE ARG A 654 5.806 4.396 21.596 1.00 0.00 H ATOM 1436 HH12 ARG A 654 5.999 0.330 21.352 1.00 0.00 H ATOM 1437 HH11 ARG A 654 6.052 1.288 19.827 1.00 0.00 H ATOM 1438 HH22 ARG A 654 5.922 1.403 23.361 1.00 0.00 H ATOM 1439 HH21 ARG A 654 5.907 3.203 23.428 1.00 0.00 H ATOM 1440 H ARG A 654 9.157 1.846 18.037 1.00 0.00 H ATOM 1441 N ASN A 655 10.549 4.873 18.591 1.00 32.47 N ATOM 1442 CA ASN A 655 11.298 5.923 19.309 1.00 31.67 C ATOM 1443 C ASN A 655 12.751 5.769 18.930 1.00 32.24 C ATOM 1444 O ASN A 655 13.604 6.235 19.700 1.00 32.76 O ATOM 1445 CB ASN A 655 11.085 5.757 20.816 1.00 33.86 C ATOM 1446 CG ASN A 655 9.713 6.239 21.183 1.00 33.54 C ATOM 1447 OD1 ASN A 655 9.170 7.071 20.446 1.00 33.11 O ATOM 1448 ND2 ASN A 655 9.178 5.714 22.271 1.00 32.59 N ATOM 1449 HD22 ASN A 655 9.713 5.019 22.830 1.00 0.00 H ATOM 1450 HD21 ASN A 655 8.222 5.996 22.569 1.00 0.00 H ATOM 1451 H ASN A 655 10.649 3.903 18.951 1.00 0.00 H ATOM 1452 N CYS A 656 13.024 5.147 17.788 1.00 32.08 N ATOM 1453 CA CYS A 656 14.373 5.240 17.176 1.00 33.36 C ATOM 1454 C CYS A 656 14.219 5.902 15.816 1.00 31.85 C ATOM 1455 O CYS A 656 13.183 5.622 15.167 1.00 30.48 O ATOM 1456 CB CYS A 656 14.989 3.855 17.031 1.00 35.31 C ATOM 1457 SG CYS A 656 15.316 3.041 18.617 1.00 37.65 S ATOM 1458 H CYS A 656 12.284 4.588 17.317 1.00 0.00 H ATOM 1459 N LEU A 657 15.260 6.555 15.310 1.00 31.53 N ATOM 1460 CA LEU A 657 15.241 7.037 13.896 1.00 33.69 C ATOM 1461 C LEU A 657 16.330 6.374 13.045 1.00 32.09 C ATOM 1462 O LEU A 657 17.296 5.844 13.576 1.00 32.21 O ATOM 1463 CB LEU A 657 15.376 8.559 13.905 1.00 33.73 C ATOM 1464 CG LEU A 657 14.195 9.226 14.592 1.00 35.39 C ATOM 1465 CD1 LEU A 657 14.518 10.663 14.904 1.00 41.62 C ATOM 1466 CD2 LEU A 657 12.950 9.177 13.710 1.00 35.26 C ATOM 1467 H LEU A 657 16.095 6.732 15.904 1.00 0.00 H ATOM 1468 N VAL A 658 16.145 6.452 11.749 1.00 31.99 N ATOM 1469 CA VAL A 658 17.076 5.924 10.737 1.00 32.83 C ATOM 1470 C VAL A 658 17.427 7.018 9.743 1.00 34.11 C ATOM 1471 O VAL A 658 16.528 7.513 9.059 1.00 37.19 O ATOM 1472 CB VAL A 658 16.454 4.741 9.996 1.00 32.22 C ATOM 1473 CG1 VAL A 658 17.512 4.084 9.105 1.00 31.67 C ATOM 1474 CG2 VAL A 658 15.858 3.747 10.949 1.00 32.71 C ATOM 1475 H VAL A 658 15.280 6.920 11.412 1.00 0.00 H ATOM 1476 N GLY A 659 18.706 7.284 9.586 1.00 36.55 N ATOM 1477 CA GLY A 659 19.189 8.270 8.607 1.00 38.28 C ATOM 1478 C GLY A 659 19.883 7.599 7.440 1.00 42.24 C ATOM 1479 O GLY A 659 19.762 6.334 7.266 1.00 40.37 O ATOM 1480 H GLY A 659 19.400 6.780 10.174 1.00 0.00 H ATOM 1481 N GLN A 660 20.518 8.433 6.631 1.00 49.61 N ATOM 1482 CA GLN A 660 21.442 8.072 5.528 1.00 54.70 C ATOM 1483 C GLN A 660 22.419 6.989 5.963 1.00 53.23 C ATOM 1484 O GLN A 660 23.104 7.208 6.963 1.00 53.71 O ATOM 1485 CB GLN A 660 22.313 9.278 5.179 1.00 61.88 C ATOM 1486 CG GLN A 660 21.782 10.086 4.008 1.00 70.90 C ATOM 1487 CD GLN A 660 22.218 9.490 2.685 1.00 80.12 C ATOM 1488 OE1 GLN A 660 22.107 8.277 2.426 1.00 75.47 O ATOM 1489 NE2 GLN A 660 22.724 10.366 1.826 1.00 81.96 N ATOM 1490 HE22 GLN A 660 22.796 11.370 2.089 1.00 0.00 H ATOM 1491 HE21 GLN A 660 23.048 10.049 0.890 1.00 0.00 H ATOM 1492 H GLN A 660 20.351 9.448 6.785 1.00 0.00 H ATOM 1493 N GLY A 661 22.552 5.935 5.159 1.00 53.56 N ATOM 1494 CA GLY A 661 23.489 4.827 5.390 1.00 52.83 C ATOM 1495 C GLY A 661 22.924 3.796 6.356 1.00 55.55 C ATOM 1496 O GLY A 661 23.669 2.925 6.752 1.00 53.10 O ATOM 1497 H GLY A 661 21.952 5.894 4.311 1.00 0.00 H ATOM 1498 N LEU A 662 21.650 3.890 6.751 1.00 53.91 N ATOM 1499 CA LEU A 662 21.087 3.042 7.843 1.00 50.41 C ATOM 1500 C LEU A 662 21.846 3.262 9.154 1.00 44.57 C ATOM 1501 O LEU A 662 22.107 2.331 9.855 1.00 45.40 O ATOM 1502 CB LEU A 662 21.152 1.583 7.424 1.00 51.89 C ATOM 1503 CG LEU A 662 20.407 1.246 6.141 1.00 57.22 C ATOM 1504 CD1 LEU A 662 19.847 -0.161 6.272 1.00 58.73 C ATOM 1505 CD2 LEU A 662 19.292 2.268 5.811 1.00 55.76 C ATOM 1506 H LEU A 662 21.029 4.579 6.280 1.00 0.00 H ATOM 1507 N VAL A 663 22.186 4.496 9.441 1.00 42.61 N ATOM 1508 CA VAL A 663 22.561 4.949 10.799 1.00 41.51 C ATOM 1509 C VAL A 663 21.245 4.964 11.574 1.00 36.20 C ATOM 1510 O VAL A 663 20.249 5.584 11.116 1.00 36.12 O ATOM 1511 CB VAL A 663 23.232 6.346 10.756 1.00 48.67 C ATOM 1512 CG1 VAL A 663 23.932 6.687 12.077 1.00 49.94 C ATOM 1513 CG2 VAL A 663 24.232 6.444 9.607 1.00 50.99 C ATOM 1514 H VAL A 663 22.192 5.195 8.671 1.00 0.00 H ATOM 1515 N VAL A 664 21.224 4.248 12.681 1.00 34.77 N ATOM 1516 CA VAL A 664 20.047 4.128 13.569 1.00 33.58 C ATOM 1517 C VAL A 664 20.411 4.802 14.884 1.00 33.61 C ATOM 1518 O VAL A 664 21.490 4.471 15.434 1.00 36.24 O ATOM 1519 CB VAL A 664 19.712 2.657 13.795 1.00 32.96 C ATOM 1520 CG1 VAL A 664 18.638 2.555 14.860 1.00 33.16 C ATOM 1521 CG2 VAL A 664 19.357 1.968 12.480 1.00 32.37 C ATOM 1522 H VAL A 664 22.089 3.736 12.946 1.00 0.00 H ATOM 1523 N LYS A 665 19.553 5.698 15.348 1.00 33.64 N ATOM 1524 CA LYS A 665 19.776 6.466 16.588 1.00 34.86 C ATOM 1525 C LYS A 665 18.505 6.492 17.408 1.00 34.79 C ATOM 1526 O LYS A 665 17.408 6.615 16.822 1.00 35.90 O ATOM 1527 CB LYS A 665 20.166 7.901 16.265 1.00 36.73 C ATOM 1528 CG LYS A 665 21.305 7.992 15.297 1.00 38.75 C ATOM 1529 CD LYS A 665 22.045 9.289 15.380 1.00 41.19 C ATOM 1530 CE LYS A 665 23.028 9.370 14.230 1.00 42.58 C ATOM 1531 NZ LYS A 665 23.641 10.707 14.160 1.00 44.95 N ATOM 1532 HZ1 LYS A 665 22.898 11.421 14.018 1.00 0.00 H ATOM 1533 HZ2 LYS A 665 24.146 10.902 15.048 1.00 0.00 H ATOM 1534 HZ3 LYS A 665 24.311 10.739 13.365 1.00 0.00 H ATOM 1535 H LYS A 665 18.679 5.869 14.812 1.00 0.00 H ATOM 1536 N ILE A 666 18.697 6.418 18.717 1.00 36.70 N ATOM 1537 CA ILE A 666 17.621 6.535 19.717 1.00 36.41 C ATOM 1538 C ILE A 666 17.227 7.999 19.784 1.00 40.44 C ATOM 1539 O ILE A 666 18.128 8.867 19.761 1.00 37.32 O ATOM 1540 CB ILE A 666 18.025 5.983 21.071 1.00 36.19 C ATOM 1541 CG1 ILE A 666 18.422 4.519 20.965 1.00 36.52 C ATOM 1542 CG2 ILE A 666 16.891 6.130 22.048 1.00 37.67 C ATOM 1543 CD1 ILE A 666 19.032 3.994 22.241 1.00 37.91 C ATOM 1544 H ILE A 666 19.667 6.268 19.060 1.00 0.00 H ATOM 1545 N GLY A 667 15.912 8.222 19.801 1.00 39.80 N ATOM 1546 CA GLY A 667 15.324 9.559 19.940 1.00 42.11 C ATOM 1547 C GLY A 667 14.026 9.622 19.177 1.00 42.61 C ATOM 1548 O GLY A 667 13.811 8.775 18.264 1.00 45.64 O ATOM 1549 H GLY A 667 15.272 7.408 19.711 1.00 0.00 H ATOM 1550 N ASP A 668 13.174 10.510 19.642 1.00 39.69 N ATOM 1551 CA ASP A 668 11.809 10.790 19.135 1.00 42.93 C ATOM 1552 C ASP A 668 11.595 12.286 19.367 1.00 42.29 C ATOM 1553 O ASP A 668 12.494 12.962 19.954 1.00 43.09 O ATOM 1554 CB ASP A 668 10.723 9.952 19.856 1.00 41.96 C ATOM 1555 CG ASP A 668 10.662 10.132 21.377 1.00 44.04 C ATOM 1556 OD1 ASP A 668 10.054 11.085 21.817 1.00 42.85 O ATOM 1557 OD2 ASP A 668 11.260 9.312 22.126 1.00 48.04 O ATOM 1558 H ASP A 668 13.492 11.077 20.453 1.00 0.00 H ATOM 1559 N PHE A 669 10.414 12.744 19.019 1.00 40.61 N ATOM 1560 CA PHE A 669 9.995 14.157 19.085 1.00 46.18 C ATOM 1561 C PHE A 669 8.887 14.309 20.135 1.00 48.86 C ATOM 1562 O PHE A 669 8.226 15.343 20.107 1.00 50.37 O ATOM 1563 CB PHE A 669 9.582 14.567 17.676 1.00 45.60 C ATOM 1564 CG PHE A 669 10.728 14.615 16.704 1.00 45.11 C ATOM 1565 CD1 PHE A 669 11.707 15.584 16.814 1.00 47.40 C ATOM 1566 CD2 PHE A 669 10.822 13.699 15.665 1.00 46.92 C ATOM 1567 CE1 PHE A 669 12.766 15.614 15.913 1.00 52.59 C ATOM 1568 CE2 PHE A 669 11.877 13.743 14.756 1.00 51.07 C ATOM 1569 CZ PHE A 669 12.851 14.698 14.877 1.00 48.52 C ATOM 1570 H PHE A 669 9.718 12.055 18.669 1.00 0.00 H ATOM 1571 N GLY A 670 8.661 13.266 20.958 1.00 50.14 N ATOM 1572 CA GLY A 670 7.673 13.203 22.051 1.00 50.59 C ATOM 1573 C GLY A 670 6.221 13.216 21.578 1.00 53.21 C ATOM 1574 O GLY A 670 5.396 13.874 22.262 1.00 55.43 O ATOM 1575 H GLY A 670 9.244 12.418 20.807 1.00 0.00 H ATOM 1576 N MET A 671 5.928 12.555 20.457 1.00 49.72 N ATOM 1577 CA MET A 671 4.595 12.494 19.799 1.00 50.50 C ATOM 1578 C MET A 671 4.205 11.033 19.535 1.00 44.13 C ATOM 1579 O MET A 671 3.226 10.799 18.788 1.00 41.59 O ATOM 1580 CB MET A 671 4.659 13.206 18.442 1.00 50.48 C ATOM 1581 CG MET A 671 5.189 14.608 18.546 1.00 58.88 C ATOM 1582 SD MET A 671 5.151 15.559 16.962 1.00 61.80 S ATOM 1583 CE MET A 671 5.729 14.347 15.772 1.00 59.79 C ATOM 1584 H MET A 671 6.704 12.034 20.000 1.00 0.00 H ATOM 1585 N SER A 672 5.019 10.087 19.988 1.00 41.12 N ATOM 1586 CA SER A 672 4.756 8.634 19.807 1.00 44.63 C ATOM 1587 C SER A 672 3.405 8.256 20.421 1.00 44.38 C ATOM 1588 O SER A 672 2.688 7.506 19.787 1.00 47.29 O ATOM 1589 CB SER A 672 5.899 7.848 20.360 1.00 48.55 C ATOM 1590 OG SER A 672 7.079 8.168 19.621 1.00 51.41 O ATOM 1591 HG SER A 672 7.843 7.651 19.981 1.00 0.00 H ATOM 1592 H SER A 672 5.881 10.375 20.493 1.00 0.00 H ATOM 1593 N ARG A 673 2.972 8.899 21.510 1.00 49.26 N ATOM 1594 CA ARG A 673 1.621 8.637 22.083 1.00 52.54 C ATOM 1595 C ARG A 673 0.505 8.963 21.083 1.00 57.20 C ATOM 1596 O ARG A 673 -0.460 8.173 20.992 1.00 62.38 O ATOM 1597 CB ARG A 673 1.510 9.367 23.408 1.00 52.29 C ATOM 1598 CG ARG A 673 2.219 8.597 24.503 1.00 49.44 C ATOM 1599 CD ARG A 673 2.383 9.367 25.782 1.00 52.60 C ATOM 1600 NE ARG A 673 2.955 8.440 26.745 1.00 54.17 N ATOM 1601 CZ ARG A 673 4.234 8.063 26.775 1.00 57.43 C ATOM 1602 NH1 ARG A 673 5.108 8.544 25.899 1.00 59.77 N ATOM 1603 NH2 ARG A 673 4.630 7.180 27.675 1.00 54.87 N ATOM 1604 HE ARG A 673 2.319 8.041 27.465 1.00 0.00 H ATOM 1605 HH12 ARG A 673 6.102 8.240 25.936 1.00 0.00 H ATOM 1606 HH11 ARG A 673 4.799 9.225 25.176 1.00 0.00 H ATOM 1607 HH22 ARG A 673 5.625 6.880 27.706 1.00 0.00 H ATOM 1608 HH21 ARG A 673 3.946 6.785 28.352 1.00 0.00 H ATOM 1609 H ARG A 673 3.592 9.598 21.968 1.00 0.00 H ATOM 1610 N ASP A 674 0.657 10.043 20.322 1.00 56.88 N ATOM 1611 CA ASP A 674 -0.330 10.494 19.304 1.00 59.04 C ATOM 1612 C ASP A 674 -0.210 9.703 17.999 1.00 56.03 C ATOM 1613 O ASP A 674 -1.251 9.402 17.430 1.00 67.26 O ATOM 1614 CB ASP A 674 -0.160 11.981 18.997 1.00 66.47 C ATOM 1615 CG ASP A 674 -0.513 12.839 20.197 1.00 74.90 C ATOM 1616 OD1 ASP A 674 0.365 13.011 21.097 1.00 71.93 O ATOM 1617 OD2 ASP A 674 -1.687 13.285 20.248 1.00 81.52 O ATOM 1618 H ASP A 674 1.521 10.608 20.446 1.00 0.00 H ATOM 1619 N ILE A 675 0.991 9.402 17.512 1.00 49.56 N ATOM 1620 CA ILE A 675 1.189 8.729 16.197 1.00 50.10 C ATOM 1621 C ILE A 675 0.934 7.225 16.365 1.00 49.10 C ATOM 1622 O ILE A 675 0.526 6.542 15.396 1.00 49.06 O ATOM 1623 CB ILE A 675 2.590 9.062 15.615 1.00 55.41 C ATOM 1624 CG1 ILE A 675 2.753 10.557 15.297 1.00 60.18 C ATOM 1625 CG2 ILE A 675 2.910 8.215 14.393 1.00 56.03 C ATOM 1626 CD1 ILE A 675 4.209 10.998 15.109 1.00 59.47 C ATOM 1627 H ILE A 675 1.830 9.648 18.075 1.00 0.00 H ATOM 1628 N TYR A 676 1.206 6.693 17.543 1.00 47.63 N ATOM 1629 CA TYR A 676 1.204 5.228 17.795 1.00 50.34 C ATOM 1630 C TYR A 676 0.325 4.932 19.027 1.00 46.58 C ATOM 1631 O TYR A 676 0.796 4.218 19.890 1.00 45.16 O ATOM 1632 CB TYR A 676 2.661 4.735 17.892 1.00 49.41 C ATOM 1633 CG TYR A 676 3.469 4.710 16.611 1.00 46.50 C ATOM 1634 CD1 TYR A 676 3.319 3.694 15.672 1.00 48.08 C ATOM 1635 CD2 TYR A 676 4.464 5.653 16.361 1.00 49.03 C ATOM 1636 CE1 TYR A 676 4.099 3.632 14.516 1.00 48.91 C ATOM 1637 CE2 TYR A 676 5.224 5.630 15.189 1.00 48.05 C ATOM 1638 CZ TYR A 676 5.056 4.620 14.252 1.00 49.26 C ATOM 1639 OH TYR A 676 5.827 4.591 13.094 1.00 46.34 O ATOM 1640 HH TYR A 676 6.784 4.527 13.338 1.00 0.00 H ATOM 1641 H TYR A 676 1.433 7.330 18.333 1.00 0.00 H ATOM 1642 N SER A 677 -0.887 5.502 19.094 1.00 47.15 N ATOM 1643 CA SER A 677 -1.838 5.422 20.234 1.00 48.72 C ATOM 1644 C SER A 677 -2.045 3.933 20.594 1.00 45.68 C ATOM 1645 O SER A 677 -1.984 3.602 21.785 1.00 45.32 O ATOM 1646 CB SER A 677 -3.131 6.244 19.990 1.00 50.55 C ATOM 1647 OG SER A 677 -4.161 5.489 19.329 1.00 56.29 O ATOM 1648 HG SER A 677 -4.958 6.062 19.201 1.00 0.00 H ATOM 1649 H SER A 677 -1.192 6.054 18.267 1.00 0.00 H ATOM 1650 N THR A 678 -2.026 3.035 19.618 1.00 45.08 N ATOM 1651 CA THR A 678 -2.234 1.577 19.820 1.00 46.26 C ATOM 1652 C THR A 678 -1.062 0.947 20.611 1.00 45.10 C ATOM 1653 O THR A 678 -1.202 -0.088 21.264 1.00 42.24 O ATOM 1654 CB THR A 678 -2.460 0.899 18.466 1.00 50.49 C ATOM 1655 OG1 THR A 678 -2.781 -0.430 18.844 1.00 58.87 O ATOM 1656 CG2 THR A 678 -1.264 0.875 17.529 1.00 50.74 C ATOM 1657 HG1 THR A 678 -2.024 -0.820 19.350 1.00 0.00 H ATOM 1658 H THR A 678 -1.855 3.373 18.649 1.00 0.00 H ATOM 1659 N ASP A 679 0.121 1.525 20.597 1.00 43.40 N ATOM 1660 CA ASP A 679 1.243 0.934 21.371 1.00 38.17 C ATOM 1661 C ASP A 679 1.113 1.317 22.856 1.00 37.91 C ATOM 1662 O ASP A 679 2.060 1.013 23.632 1.00 37.20 O ATOM 1663 CB ASP A 679 2.560 1.354 20.725 1.00 38.46 C ATOM 1664 CG ASP A 679 2.814 0.762 19.345 1.00 39.33 C ATOM 1665 OD1 ASP A 679 2.212 -0.314 19.042 1.00 36.76 O ATOM 1666 OD2 ASP A 679 3.630 1.398 18.558 1.00 40.12 O ATOM 1667 H ASP A 679 0.270 2.394 20.045 1.00 0.00 H ATOM 1668 N TYR A 680 0.054 2.032 23.252 1.00 37.38 N ATOM 1669 CA TYR A 680 -0.107 2.469 24.661 1.00 40.62 C ATOM 1670 C TYR A 680 -1.409 1.979 25.274 1.00 39.90 C ATOM 1671 O TYR A 680 -2.369 1.747 24.494 1.00 40.76 O ATOM 1672 CB TYR A 680 0.037 3.972 24.747 1.00 40.94 C ATOM 1673 CG TYR A 680 1.394 4.393 24.271 1.00 39.27 C ATOM 1674 CD1 TYR A 680 1.665 4.572 22.913 1.00 41.05 C ATOM 1675 CD2 TYR A 680 2.418 4.586 25.166 1.00 36.70 C ATOM 1676 CE1 TYR A 680 2.917 4.990 22.462 1.00 36.59 C ATOM 1677 CE2 TYR A 680 3.674 4.984 24.730 1.00 38.56 C ATOM 1678 CZ TYR A 680 3.929 5.178 23.379 1.00 35.75 C ATOM 1679 OH TYR A 680 5.184 5.538 23.001 1.00 31.45 O ATOM 1680 HH TYR A 680 5.826 4.838 23.282 1.00 0.00 H ATOM 1681 H TYR A 680 -0.674 2.288 22.555 1.00 0.00 H ATOM 1682 N TYR A 681 -1.352 1.664 26.575 1.00 40.28 N ATOM 1683 CA TYR A 681 -2.550 1.430 27.413 1.00 45.51 C ATOM 1684 C TYR A 681 -2.914 2.750 28.092 1.00 45.99 C ATOM 1685 O TYR A 681 -2.090 3.216 28.881 1.00 40.57 O ATOM 1686 CB TYR A 681 -2.343 0.298 28.416 1.00 46.26 C ATOM 1687 CG TYR A 681 -3.567 -0.116 29.198 1.00 50.96 C ATOM 1688 CD1 TYR A 681 -4.820 -0.302 28.606 1.00 54.35 C ATOM 1689 CD2 TYR A 681 -3.471 -0.303 30.575 1.00 54.46 C ATOM 1690 CE1 TYR A 681 -5.919 -0.711 29.363 1.00 54.65 C ATOM 1691 CE2 TYR A 681 -4.568 -0.659 31.351 1.00 55.91 C ATOM 1692 CZ TYR A 681 -5.783 -0.882 30.738 1.00 57.38 C ATOM 1693 OH TYR A 681 -6.806 -1.218 31.568 1.00 66.49 O ATOM 1694 HH TYR A 681 -7.629 -1.356 31.036 1.00 0.00 H ATOM 1695 H TYR A 681 -0.416 1.579 27.020 1.00 0.00 H ATOM 1696 N ARG A 682 -4.078 3.328 27.758 1.00 52.31 N ATOM 1697 CA ARG A 682 -4.614 4.505 28.497 1.00 62.21 C ATOM 1698 C ARG A 682 -5.215 4.029 29.824 1.00 65.89 C ATOM 1699 O ARG A 682 -6.174 3.221 29.784 1.00 69.21 O ATOM 1700 CB ARG A 682 -5.654 5.289 27.695 1.00 67.69 C ATOM 1701 CG ARG A 682 -5.992 6.629 28.348 1.00 79.13 C ATOM 1702 CD ARG A 682 -7.090 7.392 27.625 1.00 82.71 C ATOM 1703 NE ARG A 682 -6.613 7.618 26.276 1.00 85.71 N ATOM 1704 CZ ARG A 682 -5.711 8.535 25.949 1.00 90.76 C ATOM 1705 NH1 ARG A 682 -5.202 9.340 26.874 1.00 91.90 N ATOM 1706 NH2 ARG A 682 -5.319 8.640 24.691 1.00 86.59 N ATOM 1707 HE ARG A 682 -7.002 7.024 25.516 1.00 0.00 H ATOM 1708 HH12 ARG A 682 -4.496 10.056 26.609 1.00 0.00 H ATOM 1709 HH11 ARG A 682 -5.510 9.255 27.864 1.00 0.00 H ATOM 1710 HH22 ARG A 682 -4.613 9.355 24.424 1.00 0.00 H ATOM 1711 HH21 ARG A 682 -5.717 8.007 23.968 1.00 0.00 H ATOM 1712 H ARG A 682 -4.622 2.943 26.960 1.00 0.00 H ATOM 1713 N VAL A 683 -4.646 4.498 30.940 1.00 70.41 N ATOM 1714 CA VAL A 683 -5.159 4.281 32.327 1.00 78.70 C ATOM 1715 C VAL A 683 -5.857 5.564 32.817 1.00 85.12 C ATOM 1716 O VAL A 683 -7.104 5.588 32.812 1.00 91.06 O ATOM 1717 CB VAL A 683 -4.059 3.796 33.297 1.00 75.12 C ATOM 1718 CG1 VAL A 683 -3.340 2.592 32.744 1.00 76.67 C ATOM 1719 CG2 VAL A 683 -3.039 4.850 33.698 1.00 76.52 C ATOM 1720 H VAL A 683 -3.777 5.059 30.834 1.00 0.00 H ATOM 1721 N GLY A 684 -5.107 6.602 33.197 1.00 94.69 N ATOM 1722 CA GLY A 684 -5.668 7.802 33.846 1.00103.49 C ATOM 1723 C GLY A 684 -6.601 8.518 32.887 1.00104.29 C ATOM 1724 O GLY A 684 -7.131 7.873 31.955 1.00108.30 O ATOM 1725 H GLY A 684 -4.082 6.562 33.028 1.00 0.00 H ATOM 1726 N GLY A 685 -6.798 9.815 33.078 1.00100.83 N ATOM 1727 CA GLY A 685 -7.446 10.656 32.060 1.00 99.27 C ATOM 1728 C GLY A 685 -6.468 10.918 30.932 1.00 95.38 C ATOM 1729 O GLY A 685 -6.894 10.898 29.754 1.00 93.41 O ATOM 1730 H GLY A 685 -6.486 10.249 33.970 1.00 0.00 H ATOM 1731 N ARG A 686 -5.178 11.075 31.262 1.00 90.30 N ATOM 1732 CA ARG A 686 -4.143 11.362 30.229 1.00 90.46 C ATOM 1733 C ARG A 686 -2.861 10.544 30.453 1.00 85.01 C ATOM 1734 O ARG A 686 -1.801 10.991 29.970 1.00 82.77 O ATOM 1735 CB ARG A 686 -3.829 12.862 30.198 1.00 87.30 C ATOM 1736 CG ARG A 686 -3.294 13.358 28.863 1.00 68.90 C ATOM 1737 CD ARG A 686 -4.374 13.995 28.009 1.00 68.08 C ATOM 1738 NE ARG A 686 -3.823 14.760 26.899 1.00 67.15 N ATOM 1739 CZ ARG A 686 -3.497 16.045 26.959 1.00 66.38 C ATOM 1740 NH1 ARG A 686 -3.666 16.719 28.084 1.00 65.97 N ATOM 1741 NH2 ARG A 686 -3.002 16.653 25.896 1.00 66.08 N ATOM 1742 HE ARG A 686 -3.675 14.265 25.997 1.00 0.00 H ATOM 1743 HH12 ARG A 686 -3.410 17.726 28.130 1.00 0.00 H ATOM 1744 HH11 ARG A 686 -4.055 16.242 28.923 1.00 0.00 H ATOM 1745 HH22 ARG A 686 -2.747 17.660 25.945 1.00 0.00 H ATOM 1746 HH21 ARG A 686 -2.867 16.125 25.010 1.00 0.00 H ATOM 1747 H ARG A 686 -4.894 10.995 32.259 1.00 0.00 H ATOM 1748 N THR A 687 -2.940 9.402 31.147 1.00 76.31 N ATOM 1749 CA THR A 687 -1.730 8.535 31.365 1.00 71.48 C ATOM 1750 C THR A 687 -1.697 7.336 30.380 1.00 64.05 C ATOM 1751 O THR A 687 -2.706 6.586 30.222 1.00 61.73 O ATOM 1752 CB THR A 687 -1.547 8.155 32.841 1.00 71.40 C ATOM 1753 OG1 THR A 687 -1.139 9.337 33.529 1.00 73.58 O ATOM 1754 CG2 THR A 687 -0.480 7.106 33.069 1.00 70.11 C ATOM 1755 HG1 THR A 687 -1.010 9.131 34.489 1.00 0.00 H ATOM 1756 H THR A 687 -3.856 9.108 31.543 1.00 0.00 H ATOM 1757 N MET A 688 -0.569 7.155 29.694 1.00 58.62 N ATOM 1758 CA MET A 688 -0.471 6.163 28.577 1.00 58.20 C ATOM 1759 C MET A 688 0.820 5.349 28.691 1.00 48.91 C ATOM 1760 O MET A 688 1.876 5.888 28.498 1.00 54.13 O ATOM 1761 CB MET A 688 -0.580 6.844 27.212 1.00 59.68 C ATOM 1762 CG MET A 688 -2.006 6.902 26.707 1.00 62.82 C ATOM 1763 SD MET A 688 -2.088 7.972 25.264 1.00 71.15 S ATOM 1764 CE MET A 688 -2.024 6.778 23.922 1.00 67.19 C ATOM 1765 H MET A 688 0.268 7.720 29.942 1.00 0.00 H ATOM 1766 N LEU A 689 0.687 4.067 28.983 1.00 46.97 N ATOM 1767 CA LEU A 689 1.795 3.166 29.365 1.00 47.75 C ATOM 1768 C LEU A 689 2.117 2.265 28.185 1.00 42.33 C ATOM 1769 O LEU A 689 1.220 1.639 27.654 1.00 38.21 O ATOM 1770 CB LEU A 689 1.352 2.295 30.553 1.00 51.11 C ATOM 1771 CG LEU A 689 1.043 3.003 31.887 1.00 54.39 C ATOM 1772 CD1 LEU A 689 0.470 1.996 32.890 1.00 55.84 C ATOM 1773 CD2 LEU A 689 2.266 3.698 32.491 1.00 52.48 C ATOM 1774 H LEU A 689 -0.270 3.661 28.941 1.00 0.00 H ATOM 1775 N PRO A 690 3.396 2.154 27.771 1.00 39.86 N ATOM 1776 CA PRO A 690 3.804 1.199 26.737 1.00 38.56 C ATOM 1777 C PRO A 690 3.908 -0.246 27.269 1.00 40.82 C ATOM 1778 O PRO A 690 4.989 -0.872 27.342 1.00 37.69 O ATOM 1779 CB PRO A 690 5.161 1.755 26.342 1.00 36.85 C ATOM 1780 CG PRO A 690 5.701 2.270 27.662 1.00 37.18 C ATOM 1781 CD PRO A 690 4.507 2.984 28.251 1.00 38.77 C ATOM 1782 N ILE A 691 2.768 -0.794 27.650 1.00 41.51 N ATOM 1783 CA ILE A 691 2.748 -2.057 28.423 1.00 40.66 C ATOM 1784 C ILE A 691 3.446 -3.167 27.656 1.00 38.06 C ATOM 1785 O ILE A 691 4.160 -3.919 28.299 1.00 36.57 O ATOM 1786 CB ILE A 691 1.324 -2.411 28.865 1.00 45.94 C ATOM 1787 CG1 ILE A 691 0.305 -2.273 27.743 1.00 50.40 C ATOM 1788 CG2 ILE A 691 0.939 -1.597 30.100 1.00 44.74 C ATOM 1789 CD1 ILE A 691 -0.734 -3.383 27.751 1.00 55.30 C ATOM 1790 H ILE A 691 1.870 -0.331 27.403 1.00 0.00 H ATOM 1791 N ARG A 692 3.286 -3.272 26.341 1.00 36.60 N ATOM 1792 CA ARG A 692 3.851 -4.423 25.571 1.00 35.49 C ATOM 1793 C ARG A 692 5.388 -4.471 25.665 1.00 33.57 C ATOM 1794 O ARG A 692 5.975 -5.570 25.409 1.00 35.71 O ATOM 1795 CB ARG A 692 3.337 -4.361 24.138 1.00 37.08 C ATOM 1796 CG ARG A 692 1.842 -4.583 24.038 1.00 37.84 C ATOM 1797 CD ARG A 692 1.281 -4.132 22.719 1.00 36.30 C ATOM 1798 NE ARG A 692 -0.163 -4.094 22.831 1.00 36.10 N ATOM 1799 CZ ARG A 692 -0.933 -5.158 22.767 1.00 41.69 C ATOM 1800 NH1 ARG A 692 -0.413 -6.336 22.436 1.00 46.81 N ATOM 1801 NH2 ARG A 692 -2.234 -5.047 22.924 1.00 41.45 N ATOM 1802 HE ARG A 692 -0.618 -3.169 22.970 1.00 0.00 H ATOM 1803 HH12 ARG A 692 -1.022 -7.178 22.385 1.00 0.00 H ATOM 1804 HH11 ARG A 692 0.603 -6.416 22.228 1.00 0.00 H ATOM 1805 HH22 ARG A 692 -2.838 -5.892 22.872 1.00 0.00 H ATOM 1806 HH21 ARG A 692 -2.659 -4.114 23.100 1.00 0.00 H ATOM 1807 H ARG A 692 2.755 -2.535 25.835 1.00 0.00 H ATOM 1808 N TRP A 693 6.021 -3.376 26.066 1.00 31.23 N ATOM 1809 CA TRP A 693 7.488 -3.176 26.094 1.00 32.60 C ATOM 1810 C TRP A 693 7.970 -3.224 27.527 1.00 33.94 C ATOM 1811 O TRP A 693 9.184 -3.164 27.739 1.00 36.77 O ATOM 1812 CB TRP A 693 7.967 -1.876 25.387 1.00 29.46 C ATOM 1813 CG TRP A 693 7.928 -1.998 23.908 1.00 32.46 C ATOM 1814 CD1 TRP A 693 8.956 -2.344 23.061 1.00 33.18 C ATOM 1815 CD2 TRP A 693 6.787 -1.798 23.060 1.00 33.50 C ATOM 1816 NE1 TRP A 693 8.529 -2.308 21.764 1.00 30.49 N ATOM 1817 CE2 TRP A 693 7.200 -2.055 21.742 1.00 30.25 C ATOM 1818 CE3 TRP A 693 5.451 -1.492 23.297 1.00 34.12 C ATOM 1819 CZ2 TRP A 693 6.343 -1.981 20.667 1.00 30.66 C ATOM 1820 CZ3 TRP A 693 4.603 -1.397 22.222 1.00 31.98 C ATOM 1821 CH2 TRP A 693 5.043 -1.661 20.937 1.00 31.12 C ATOM 1822 HE1 TRP A 693 9.129 -2.452 20.927 1.00 0.00 H ATOM 1823 H TRP A 693 5.431 -2.584 26.391 1.00 0.00 H ATOM 1824 N MET A 694 7.079 -3.389 28.490 1.00 39.55 N ATOM 1825 CA MET A 694 7.451 -3.217 29.924 1.00 39.54 C ATOM 1826 C MET A 694 7.636 -4.566 30.614 1.00 38.62 C ATOM 1827 O MET A 694 6.895 -5.516 30.388 1.00 42.28 O ATOM 1828 CB MET A 694 6.403 -2.373 30.657 1.00 40.31 C ATOM 1829 CG MET A 694 6.400 -0.926 30.270 1.00 39.22 C ATOM 1830 SD MET A 694 4.806 -0.095 30.764 1.00 44.46 S ATOM 1831 CE MET A 694 4.779 -0.228 32.554 1.00 45.17 C ATOM 1832 H MET A 694 6.101 -3.643 28.243 1.00 0.00 H ATOM 1833 N PRO A 695 8.606 -4.692 31.546 1.00 39.04 N ATOM 1834 CA PRO A 695 8.732 -5.901 32.360 1.00 38.59 C ATOM 1835 C PRO A 695 7.714 -5.995 33.501 1.00 41.36 C ATOM 1836 O PRO A 695 7.062 -4.996 33.887 1.00 39.61 O ATOM 1837 CB PRO A 695 10.116 -5.764 32.992 1.00 37.30 C ATOM 1838 CG PRO A 695 10.249 -4.282 33.186 1.00 39.23 C ATOM 1839 CD PRO A 695 9.583 -3.665 31.956 1.00 39.00 C ATOM 1840 N PRO A 696 7.586 -7.191 34.116 1.00 43.76 N ATOM 1841 CA PRO A 696 6.615 -7.415 35.196 1.00 45.19 C ATOM 1842 C PRO A 696 6.744 -6.438 36.360 1.00 46.42 C ATOM 1843 O PRO A 696 5.726 -5.943 36.774 1.00 53.42 O ATOM 1844 CB PRO A 696 6.962 -8.848 35.614 1.00 47.54 C ATOM 1845 CG PRO A 696 7.413 -9.481 34.332 1.00 48.09 C ATOM 1846 CD PRO A 696 8.343 -8.414 33.790 1.00 46.95 C ATOM 1847 N GLU A 697 7.968 -6.086 36.762 1.00 47.30 N ATOM 1848 CA GLU A 697 8.202 -5.119 37.874 1.00 49.27 C ATOM 1849 C GLU A 697 7.726 -3.717 37.524 1.00 48.50 C ATOM 1850 O GLU A 697 7.383 -2.974 38.464 1.00 47.86 O ATOM 1851 CB GLU A 697 9.658 -5.105 38.344 1.00 52.05 C ATOM 1852 CG GLU A 697 10.586 -4.272 37.498 1.00 54.24 C ATOM 1853 CD GLU A 697 11.308 -5.057 36.425 1.00 53.06 C ATOM 1854 OE1 GLU A 697 12.246 -4.478 35.849 1.00 57.05 O ATOM 1855 OE2 GLU A 697 10.937 -6.232 36.178 1.00 49.73 O ATOM 1856 H GLU A 697 8.791 -6.502 36.281 1.00 0.00 H ATOM 1857 N SER A 698 7.718 -3.339 36.245 1.00 48.63 N ATOM 1858 CA SER A 698 7.247 -2.002 35.806 1.00 48.13 C ATOM 1859 C SER A 698 5.717 -1.990 35.830 1.00 48.54 C ATOM 1860 O SER A 698 5.102 -1.013 36.332 1.00 52.11 O ATOM 1861 CB SER A 698 7.754 -1.666 34.445 1.00 50.08 C ATOM 1862 OG SER A 698 9.161 -1.542 34.430 1.00 50.42 O ATOM 1863 HG SER A 698 9.434 -0.822 35.052 1.00 0.00 H ATOM 1864 H SER A 698 8.056 -4.009 35.525 1.00 0.00 H ATOM 1865 N ILE A 699 5.092 -3.033 35.314 1.00 45.94 N ATOM 1866 CA ILE A 699 3.602 -3.128 35.299 1.00 49.36 C ATOM 1867 C ILE A 699 3.044 -3.353 36.721 1.00 52.00 C ATOM 1868 O ILE A 699 2.076 -2.666 37.077 1.00 49.23 O ATOM 1869 CB ILE A 699 3.124 -4.234 34.365 1.00 50.61 C ATOM 1870 CG1 ILE A 699 3.533 -3.965 32.921 1.00 48.74 C ATOM 1871 CG2 ILE A 699 1.622 -4.429 34.485 1.00 52.60 C ATOM 1872 CD1 ILE A 699 3.338 -5.153 32.030 1.00 49.25 C ATOM 1873 H ILE A 699 5.653 -3.809 34.907 1.00 0.00 H ATOM 1874 N LEU A 700 3.604 -4.293 37.492 1.00 51.51 N ATOM 1875 CA LEU A 700 3.112 -4.636 38.863 1.00 50.26 C ATOM 1876 C LEU A 700 3.419 -3.552 39.905 1.00 50.80 C ATOM 1877 O LEU A 700 2.483 -3.069 40.501 1.00 57.38 O ATOM 1878 CB LEU A 700 3.762 -5.952 39.265 1.00 48.24 C ATOM 1879 CG LEU A 700 3.185 -7.145 38.540 1.00 48.80 C ATOM 1880 CD1 LEU A 700 3.885 -8.434 38.939 1.00 51.92 C ATOM 1881 CD2 LEU A 700 1.706 -7.231 38.803 1.00 51.64 C ATOM 1882 H LEU A 700 4.424 -4.812 37.119 1.00 0.00 H ATOM 1883 N TYR A 701 4.687 -3.177 40.073 1.00 55.58 N ATOM 1884 CA TYR A 701 5.256 -2.385 41.191 1.00 55.07 C ATOM 1885 C TYR A 701 5.537 -0.963 40.739 1.00 54.27 C ATOM 1886 O TYR A 701 5.999 -0.196 41.539 1.00 60.32 O ATOM 1887 CB TYR A 701 6.564 -3.019 41.682 1.00 57.19 C ATOM 1888 CG TYR A 701 6.547 -4.524 41.844 1.00 58.42 C ATOM 1889 CD1 TYR A 701 5.412 -5.202 42.299 1.00 61.62 C ATOM 1890 CD2 TYR A 701 7.686 -5.277 41.584 1.00 58.68 C ATOM 1891 CE1 TYR A 701 5.392 -6.584 42.465 1.00 59.89 C ATOM 1892 CE2 TYR A 701 7.681 -6.658 41.741 1.00 63.32 C ATOM 1893 CZ TYR A 701 6.536 -7.313 42.185 1.00 63.95 C ATOM 1894 OH TYR A 701 6.552 -8.670 42.313 1.00 64.10 O ATOM 1895 HH TYR A 701 5.669 -8.980 42.636 1.00 0.00 H ATOM 1896 H TYR A 701 5.356 -3.474 39.334 1.00 0.00 H ATOM 1897 N ARG A 702 5.358 -0.676 39.465 1.00 57.78 N ATOM 1898 CA ARG A 702 5.661 0.632 38.811 1.00 58.68 C ATOM 1899 C ARG A 702 7.125 1.052 39.032 1.00 57.49 C ATOM 1900 O ARG A 702 7.428 2.237 38.945 1.00 58.59 O ATOM 1901 CB ARG A 702 4.577 1.625 39.230 1.00 62.50 C ATOM 1902 CG ARG A 702 3.177 1.013 39.192 1.00 63.01 C ATOM 1903 CD ARG A 702 2.038 2.010 39.365 1.00 68.66 C ATOM 1904 NE ARG A 702 0.735 1.344 39.434 1.00 72.41 N ATOM 1905 CZ ARG A 702 -0.444 1.949 39.645 1.00 68.54 C ATOM 1906 NH1 ARG A 702 -0.539 3.264 39.831 1.00 62.42 N ATOM 1907 NH2 ARG A 702 -1.536 1.199 39.669 1.00 74.67 N ATOM 1908 HE ARG A 702 0.723 0.312 39.308 1.00 0.00 H ATOM 1909 HH12 ARG A 702 -1.469 3.701 39.992 1.00 0.00 H ATOM 1910 HH11 ARG A 702 0.317 3.855 39.815 1.00 0.00 H ATOM 1911 HH22 ARG A 702 -2.465 1.638 39.830 1.00 0.00 H ATOM 1912 HH21 ARG A 702 -1.464 0.171 39.527 1.00 0.00 H ATOM 1913 H ARG A 702 4.971 -1.429 38.861 1.00 0.00 H ATOM 1914 N LYS A 703 8.044 0.090 39.073 1.00 60.21 N ATOM 1915 CA LYS A 703 9.498 0.378 39.106 1.00 63.70 C ATOM 1916 C LYS A 703 10.075 0.401 37.678 1.00 59.41 C ATOM 1917 O LYS A 703 9.815 -0.558 36.911 1.00 51.75 O ATOM 1918 CB LYS A 703 10.228 -0.664 39.957 1.00 69.15 C ATOM 1919 CG LYS A 703 9.769 -0.748 41.409 1.00 73.68 C ATOM 1920 CD LYS A 703 10.627 -1.685 42.220 1.00 76.36 C ATOM 1921 CE LYS A 703 10.174 -1.845 43.658 1.00 81.19 C ATOM 1922 NZ LYS A 703 10.526 -3.197 44.172 1.00 82.05 N ATOM 1923 HZ1 LYS A 703 10.059 -3.921 43.589 1.00 0.00 H ATOM 1924 HZ2 LYS A 703 11.557 -3.326 44.127 1.00 0.00 H ATOM 1925 HZ3 LYS A 703 10.207 -3.286 45.158 1.00 0.00 H ATOM 1926 H LYS A 703 7.730 -0.901 39.082 1.00 0.00 H ATOM 1927 N PHE A 704 10.874 1.438 37.386 1.00 52.16 N ATOM 1928 CA PHE A 704 11.631 1.640 36.136 1.00 50.71 C ATOM 1929 C PHE A 704 13.106 1.883 36.444 1.00 53.64 C ATOM 1930 O PHE A 704 13.441 2.873 37.126 1.00 57.14 O ATOM 1931 CB PHE A 704 11.095 2.839 35.359 1.00 51.31 C ATOM 1932 CG PHE A 704 9.678 2.692 34.889 1.00 49.48 C ATOM 1933 CD1 PHE A 704 8.618 3.031 35.721 1.00 53.04 C ATOM 1934 CD2 PHE A 704 9.408 2.178 33.635 1.00 47.29 C ATOM 1935 CE1 PHE A 704 7.305 2.874 35.296 1.00 55.26 C ATOM 1936 CE2 PHE A 704 8.102 2.056 33.191 1.00 49.58 C ATOM 1937 CZ PHE A 704 7.050 2.404 34.019 1.00 53.71 C ATOM 1938 H PHE A 704 10.970 2.174 38.114 1.00 0.00 H ATOM 1939 N THR A 705 13.954 1.057 35.835 1.00 53.06 N ATOM 1940 CA THR A 705 15.416 0.960 36.050 1.00 51.56 C ATOM 1941 C THR A 705 16.111 0.685 34.703 1.00 49.68 C ATOM 1942 O THR A 705 15.421 0.456 33.684 1.00 46.80 O ATOM 1943 CB THR A 705 15.694 -0.137 37.083 1.00 56.37 C ATOM 1944 OG1 THR A 705 15.320 -1.379 36.485 1.00 51.74 O ATOM 1945 CG2 THR A 705 14.929 0.056 38.384 1.00 55.43 C ATOM 1946 HG1 THR A 705 15.486 -2.115 37.125 1.00 0.00 H ATOM 1947 H THR A 705 13.545 0.409 35.132 1.00 0.00 H ATOM 1948 N THR A 706 17.438 0.774 34.700 1.00 50.42 N ATOM 1949 CA THR A 706 18.338 0.201 33.689 1.00 49.86 C ATOM 1950 C THR A 706 17.803 -1.167 33.289 1.00 46.78 C ATOM 1951 O THR A 706 17.762 -1.439 32.121 1.00 52.25 O ATOM 1952 CB THR A 706 19.758 0.180 34.243 1.00 56.39 C ATOM 1953 OG1 THR A 706 19.904 1.530 34.650 1.00 59.96 O ATOM 1954 CG2 THR A 706 20.802 -0.184 33.211 1.00 61.80 C ATOM 1955 HG1 THR A 706 20.805 1.661 35.039 1.00 0.00 H ATOM 1956 H THR A 706 17.879 1.296 35.484 1.00 0.00 H ATOM 1957 N GLU A 707 17.395 -1.983 34.232 1.00 46.11 N ATOM 1958 CA GLU A 707 16.994 -3.383 33.963 1.00 46.52 C ATOM 1959 C GLU A 707 15.603 -3.406 33.328 1.00 42.62 C ATOM 1960 O GLU A 707 15.314 -4.344 32.619 1.00 42.07 O ATOM 1961 CB GLU A 707 16.988 -4.208 35.253 1.00 52.34 C ATOM 1962 CG GLU A 707 18.355 -4.382 35.907 1.00 55.41 C ATOM 1963 CD GLU A 707 18.964 -3.089 36.454 1.00 63.69 C ATOM 1964 OE1 GLU A 707 20.186 -2.930 36.277 1.00 65.03 O ATOM 1965 OE2 GLU A 707 18.217 -2.213 37.043 1.00 66.04 O ATOM 1966 H GLU A 707 17.351 -1.632 35.210 1.00 0.00 H ATOM 1967 N SER A 708 14.721 -2.444 33.555 1.00 42.42 N ATOM 1968 CA SER A 708 13.474 -2.431 32.748 1.00 45.39 C ATOM 1969 C SER A 708 13.820 -1.940 31.326 1.00 45.13 C ATOM 1970 O SER A 708 13.145 -2.320 30.385 1.00 41.67 O ATOM 1971 CB SER A 708 12.367 -1.641 33.394 1.00 48.76 C ATOM 1972 OG SER A 708 12.783 -0.321 33.686 1.00 52.63 O ATOM 1973 HG SER A 708 13.555 -0.349 34.306 1.00 0.00 H ATOM 1974 H SER A 708 14.897 -1.718 34.278 1.00 0.00 H ATOM 1975 N ASP A 709 14.881 -1.145 31.161 1.00 45.83 N ATOM 1976 CA ASP A 709 15.340 -0.726 29.816 1.00 43.77 C ATOM 1977 C ASP A 709 15.900 -1.960 29.069 1.00 42.36 C ATOM 1978 O ASP A 709 15.620 -2.075 27.846 1.00 38.47 O ATOM 1979 CB ASP A 709 16.323 0.431 29.912 1.00 44.16 C ATOM 1980 CG ASP A 709 15.704 1.822 29.926 1.00 46.46 C ATOM 1981 OD1 ASP A 709 14.477 1.986 29.799 1.00 47.05 O ATOM 1982 OD2 ASP A 709 16.480 2.761 30.025 1.00 56.75 O ATOM 1983 H ASP A 709 15.399 -0.811 31.999 1.00 0.00 H ATOM 1984 N VAL A 710 16.621 -2.880 29.722 1.00 38.63 N ATOM 1985 CA VAL A 710 17.180 -4.001 28.943 1.00 39.09 C ATOM 1986 C VAL A 710 16.009 -4.923 28.617 1.00 37.89 C ATOM 1987 O VAL A 710 16.048 -5.549 27.572 1.00 36.10 O ATOM 1988 CB VAL A 710 18.412 -4.722 29.550 1.00 44.19 C ATOM 1989 CG1 VAL A 710 19.148 -3.861 30.540 1.00 48.14 C ATOM 1990 CG2 VAL A 710 18.096 -6.067 30.145 1.00 46.40 C ATOM 1991 H VAL A 710 16.782 -2.807 30.747 1.00 0.00 H ATOM 1992 N TRP A 711 14.961 -4.949 29.431 1.00 39.37 N ATOM 1993 CA TRP A 711 13.799 -5.820 29.128 1.00 38.56 C ATOM 1994 C TRP A 711 13.214 -5.253 27.841 1.00 35.74 C ATOM 1995 O TRP A 711 13.041 -5.989 26.881 1.00 38.66 O ATOM 1996 CB TRP A 711 12.773 -5.901 30.270 1.00 37.65 C ATOM 1997 CG TRP A 711 11.533 -6.667 29.908 1.00 36.65 C ATOM 1998 CD1 TRP A 711 10.571 -6.253 29.049 1.00 38.97 C ATOM 1999 CD2 TRP A 711 11.061 -7.918 30.437 1.00 38.47 C ATOM 2000 NE1 TRP A 711 9.567 -7.179 28.951 1.00 41.45 N ATOM 2001 CE2 TRP A 711 9.852 -8.228 29.776 1.00 40.54 C ATOM 2002 CE3 TRP A 711 11.541 -8.826 31.388 1.00 40.94 C ATOM 2003 CZ2 TRP A 711 9.100 -9.382 30.051 1.00 43.53 C ATOM 2004 CZ3 TRP A 711 10.847 -10.005 31.605 1.00 40.98 C ATOM 2005 CH2 TRP A 711 9.641 -10.284 30.946 1.00 41.80 C ATOM 2006 HE1 TRP A 711 8.725 -7.096 28.347 1.00 0.00 H ATOM 2007 H TRP A 711 14.954 -4.356 30.285 1.00 0.00 H ATOM 2008 N SER A 712 12.961 -3.963 27.842 1.00 37.00 N ATOM 2009 CA SER A 712 12.424 -3.192 26.687 1.00 35.81 C ATOM 2010 C SER A 712 13.307 -3.360 25.446 1.00 33.20 C ATOM 2011 O SER A 712 12.773 -3.609 24.398 1.00 35.96 O ATOM 2012 CB SER A 712 12.261 -1.770 27.098 1.00 38.35 C ATOM 2013 OG SER A 712 11.014 -1.627 27.765 1.00 41.41 O ATOM 2014 HG SER A 712 10.281 -1.886 27.152 1.00 0.00 H ATOM 2015 H SER A 712 13.151 -3.439 28.720 1.00 0.00 H ATOM 2016 N PHE A 713 14.629 -3.393 25.578 1.00 33.60 N ATOM 2017 CA PHE A 713 15.548 -3.667 24.445 1.00 33.14 C ATOM 2018 C PHE A 713 15.362 -5.085 23.908 1.00 34.49 C ATOM 2019 O PHE A 713 15.379 -5.340 22.711 1.00 33.69 O ATOM 2020 CB PHE A 713 17.005 -3.518 24.849 1.00 34.07 C ATOM 2021 CG PHE A 713 17.880 -3.788 23.667 1.00 36.96 C ATOM 2022 CD1 PHE A 713 18.136 -2.781 22.745 1.00 37.99 C ATOM 2023 CD2 PHE A 713 18.404 -5.049 23.444 1.00 37.50 C ATOM 2024 CE1 PHE A 713 18.884 -3.043 21.614 1.00 37.71 C ATOM 2025 CE2 PHE A 713 19.206 -5.282 22.342 1.00 38.88 C ATOM 2026 CZ PHE A 713 19.418 -4.287 21.419 1.00 38.12 C ATOM 2027 H PHE A 713 15.038 -3.219 26.518 1.00 0.00 H ATOM 2028 N GLY A 714 15.186 -6.048 24.799 1.00 35.48 N ATOM 2029 CA GLY A 714 14.898 -7.386 24.282 1.00 35.20 C ATOM 2030 C GLY A 714 13.666 -7.339 23.413 1.00 32.74 C ATOM 2031 O GLY A 714 13.655 -8.055 22.465 1.00 32.06 O ATOM 2032 H GLY A 714 15.250 -5.862 25.820 1.00 0.00 H ATOM 2033 N VAL A 715 12.635 -6.569 23.788 1.00 31.66 N ATOM 2034 CA VAL A 715 11.396 -6.492 22.982 1.00 32.18 C ATOM 2035 C VAL A 715 11.713 -5.716 21.675 1.00 32.83 C ATOM 2036 O VAL A 715 11.150 -6.073 20.632 1.00 31.60 O ATOM 2037 CB VAL A 715 10.256 -5.846 23.786 1.00 34.52 C ATOM 2038 CG1 VAL A 715 9.000 -5.793 22.920 1.00 33.04 C ATOM 2039 CG2 VAL A 715 9.991 -6.553 25.138 1.00 37.52 C ATOM 2040 H VAL A 715 12.707 -6.014 24.664 1.00 0.00 H ATOM 2041 N VAL A 716 12.588 -4.701 21.706 1.00 30.52 N ATOM 2042 CA VAL A 716 13.053 -4.020 20.463 1.00 33.75 C ATOM 2043 C VAL A 716 13.694 -5.031 19.505 1.00 35.97 C ATOM 2044 O VAL A 716 13.415 -4.971 18.268 1.00 36.38 O ATOM 2045 CB VAL A 716 14.002 -2.864 20.793 1.00 33.82 C ATOM 2046 CG1 VAL A 716 14.779 -2.399 19.595 1.00 34.85 C ATOM 2047 CG2 VAL A 716 13.187 -1.724 21.366 1.00 39.12 C ATOM 2048 H VAL A 716 12.954 -4.379 22.625 1.00 0.00 H ATOM 2049 N LEU A 717 14.490 -5.941 20.051 1.00 35.97 N ATOM 2050 CA LEU A 717 15.193 -6.983 19.271 1.00 37.91 C ATOM 2051 C LEU A 717 14.149 -7.890 18.595 1.00 38.22 C ATOM 2052 O LEU A 717 14.309 -8.203 17.410 1.00 36.89 O ATOM 2053 CB LEU A 717 16.100 -7.687 20.267 1.00 40.95 C ATOM 2054 CG LEU A 717 17.172 -8.572 19.685 1.00 49.33 C ATOM 2055 CD1 LEU A 717 18.030 -7.770 18.687 1.00 53.81 C ATOM 2056 CD2 LEU A 717 17.993 -9.171 20.836 1.00 51.05 C ATOM 2057 H LEU A 717 14.627 -5.921 21.082 1.00 0.00 H ATOM 2058 N TRP A 718 13.041 -8.182 19.279 1.00 37.43 N ATOM 2059 CA TRP A 718 11.913 -8.981 18.738 1.00 35.11 C ATOM 2060 C TRP A 718 11.242 -8.192 17.606 1.00 33.87 C ATOM 2061 O TRP A 718 10.966 -8.728 16.582 1.00 37.45 O ATOM 2062 CB TRP A 718 10.961 -9.334 19.896 1.00 32.42 C ATOM 2063 CG TRP A 718 9.825 -10.217 19.501 1.00 34.52 C ATOM 2064 CD1 TRP A 718 9.827 -11.570 19.644 1.00 36.13 C ATOM 2065 CD2 TRP A 718 8.551 -9.890 18.906 1.00 32.85 C ATOM 2066 NE1 TRP A 718 8.677 -12.099 19.135 1.00 36.30 N ATOM 2067 CE2 TRP A 718 7.872 -11.105 18.694 1.00 33.69 C ATOM 2068 CE3 TRP A 718 7.915 -8.710 18.528 1.00 32.70 C ATOM 2069 CZ2 TRP A 718 6.614 -11.196 18.128 1.00 34.34 C ATOM 2070 CZ3 TRP A 718 6.670 -8.783 17.965 1.00 32.79 C ATOM 2071 CH2 TRP A 718 6.033 -10.001 17.763 1.00 35.44 C ATOM 2072 HE1 TRP A 718 8.453 -13.114 19.092 1.00 0.00 H ATOM 2073 H TRP A 718 12.963 -7.827 20.253 1.00 0.00 H ATOM 2074 N GLU A 719 10.959 -6.931 17.821 1.00 33.08 N ATOM 2075 CA GLU A 719 10.358 -6.077 16.782 1.00 33.61 C ATOM 2076 C GLU A 719 11.251 -6.130 15.528 1.00 33.26 C ATOM 2077 O GLU A 719 10.725 -6.149 14.410 1.00 32.88 O ATOM 2078 CB GLU A 719 10.316 -4.590 17.197 1.00 31.80 C ATOM 2079 CG GLU A 719 9.398 -4.215 18.352 1.00 32.99 C ATOM 2080 CD GLU A 719 9.264 -2.681 18.497 1.00 32.53 C ATOM 2081 OE1 GLU A 719 10.024 -2.140 19.306 1.00 30.89 O ATOM 2082 OE2 GLU A 719 8.483 -2.029 17.724 1.00 29.46 O ATOM 2083 H GLU A 719 11.165 -6.520 18.754 1.00 0.00 H ATOM 2084 N ILE A 720 12.524 -5.863 15.718 1.00 30.00 N ATOM 2085 CA ILE A 720 13.506 -5.866 14.624 1.00 34.15 C ATOM 2086 C ILE A 720 13.365 -7.174 13.832 1.00 33.44 C ATOM 2087 O ILE A 720 13.201 -7.100 12.644 1.00 34.35 O ATOM 2088 CB ILE A 720 14.934 -5.638 15.155 1.00 33.11 C ATOM 2089 CG1 ILE A 720 15.046 -4.207 15.659 1.00 30.41 C ATOM 2090 CG2 ILE A 720 15.946 -5.945 14.045 1.00 33.26 C ATOM 2091 CD1 ILE A 720 16.373 -3.874 16.296 1.00 32.28 C ATOM 2092 H ILE A 720 12.849 -5.641 16.680 1.00 0.00 H ATOM 2093 N PHE A 721 13.377 -8.326 14.471 1.00 35.79 N ATOM 2094 CA PHE A 721 13.376 -9.627 13.767 1.00 34.18 C ATOM 2095 C PHE A 721 11.994 -10.102 13.333 1.00 36.05 C ATOM 2096 O PHE A 721 11.936 -11.098 12.597 1.00 41.54 O ATOM 2097 CB PHE A 721 14.049 -10.669 14.601 1.00 34.06 C ATOM 2098 CG PHE A 721 15.518 -10.554 14.457 1.00 36.20 C ATOM 2099 CD1 PHE A 721 16.220 -9.685 15.261 1.00 37.34 C ATOM 2100 CD2 PHE A 721 16.188 -11.323 13.525 1.00 36.74 C ATOM 2101 CE1 PHE A 721 17.591 -9.576 15.125 1.00 37.19 C ATOM 2102 CE2 PHE A 721 17.556 -11.185 13.376 1.00 38.46 C ATOM 2103 CZ PHE A 721 18.257 -10.324 14.191 1.00 36.24 C ATOM 2104 H PHE A 721 13.388 -8.321 15.511 1.00 0.00 H ATOM 2105 N THR A 722 10.956 -9.346 13.631 1.00 38.30 N ATOM 2106 CA THR A 722 9.599 -9.524 13.063 1.00 38.13 C ATOM 2107 C THR A 722 9.304 -8.375 12.106 1.00 38.24 C ATOM 2108 O THR A 722 8.141 -8.170 11.821 1.00 41.96 O ATOM 2109 CB THR A 722 8.574 -9.521 14.193 1.00 39.20 C ATOM 2110 OG1 THR A 722 8.677 -8.282 14.906 1.00 43.52 O ATOM 2111 CG2 THR A 722 8.776 -10.606 15.202 1.00 36.55 C ATOM 2112 HG1 THR A 722 9.589 -8.192 15.280 1.00 0.00 H ATOM 2113 H THR A 722 11.099 -8.572 14.311 1.00 0.00 H ATOM 2114 N TYR A 723 10.301 -7.544 11.773 1.00 38.09 N ATOM 2115 CA TYR A 723 10.170 -6.416 10.824 1.00 39.16 C ATOM 2116 C TYR A 723 9.044 -5.458 11.250 1.00 38.61 C ATOM 2117 O TYR A 723 8.198 -5.017 10.424 1.00 40.92 O ATOM 2118 CB TYR A 723 9.927 -6.961 9.415 1.00 40.64 C ATOM 2119 CG TYR A 723 11.007 -7.855 8.856 1.00 43.86 C ATOM 2120 CD1 TYR A 723 12.052 -7.326 8.121 1.00 45.35 C ATOM 2121 CD2 TYR A 723 10.925 -9.259 8.950 1.00 49.22 C ATOM 2122 CE1 TYR A 723 12.994 -8.140 7.511 1.00 47.99 C ATOM 2123 CE2 TYR A 723 11.885 -10.090 8.369 1.00 49.61 C ATOM 2124 CZ TYR A 723 12.913 -9.515 7.639 1.00 48.90 C ATOM 2125 OH TYR A 723 13.874 -10.279 7.074 1.00 56.61 O ATOM 2126 HH TYR A 723 14.518 -9.698 6.597 1.00 0.00 H ATOM 2127 H TYR A 723 11.231 -7.703 12.212 1.00 0.00 H ATOM 2128 N GLY A 724 9.047 -5.138 12.535 1.00 40.56 N ATOM 2129 CA GLY A 724 8.224 -4.079 13.160 1.00 41.06 C ATOM 2130 C GLY A 724 6.883 -4.574 13.661 1.00 38.99 C ATOM 2131 O GLY A 724 6.065 -3.751 13.924 1.00 38.32 O ATOM 2132 H GLY A 724 9.682 -5.677 13.158 1.00 0.00 H ATOM 2133 N LYS A 725 6.622 -5.877 13.731 1.00 44.17 N ATOM 2134 CA LYS A 725 5.326 -6.338 14.288 1.00 45.83 C ATOM 2135 C LYS A 725 5.174 -5.793 15.708 1.00 38.93 C ATOM 2136 O LYS A 725 6.170 -5.697 16.420 1.00 39.16 O ATOM 2137 CB LYS A 725 5.198 -7.853 14.248 1.00 52.61 C ATOM 2138 CG LYS A 725 4.212 -8.322 13.217 1.00 68.39 C ATOM 2139 CD LYS A 725 3.848 -9.761 13.409 1.00 81.93 C ATOM 2140 CE LYS A 725 3.404 -10.374 12.097 1.00 91.78 C ATOM 2141 NZ LYS A 725 2.150 -11.146 12.280 1.00 98.44 N ATOM 2142 HZ1 LYS A 725 2.310 -11.906 12.971 1.00 0.00 H ATOM 2143 HZ2 LYS A 725 1.402 -10.512 12.627 1.00 0.00 H ATOM 2144 HZ3 LYS A 725 1.862 -11.558 11.370 1.00 0.00 H ATOM 2145 H LYS A 725 7.323 -6.569 13.397 1.00 0.00 H ATOM 2146 N GLN A 726 3.959 -5.483 16.122 1.00 36.99 N ATOM 2147 CA GLN A 726 3.646 -5.150 17.540 1.00 38.60 C ATOM 2148 C GLN A 726 3.748 -6.411 18.410 1.00 38.44 C ATOM 2149 O GLN A 726 3.295 -7.466 17.994 1.00 38.27 O ATOM 2150 CB GLN A 726 2.272 -4.512 17.679 1.00 39.79 C ATOM 2151 CG GLN A 726 2.019 -4.038 19.102 1.00 41.76 C ATOM 2152 CD GLN A 726 0.565 -3.695 19.223 1.00 40.26 C ATOM 2153 OE1 GLN A 726 -0.257 -4.582 18.988 1.00 38.87 O ATOM 2154 NE2 GLN A 726 0.283 -2.426 19.554 1.00 35.31 N ATOM 2155 HE22 GLN A 726 1.054 -1.752 19.733 1.00 0.00 H ATOM 2156 HE21 GLN A 726 -0.707 -2.116 19.631 1.00 0.00 H ATOM 2157 H GLN A 726 3.186 -5.471 15.427 1.00 0.00 H ATOM 2158 N PRO A 727 4.467 -6.364 19.567 1.00 37.38 N ATOM 2159 CA PRO A 727 4.552 -7.489 20.471 1.00 37.45 C ATOM 2160 C PRO A 727 3.138 -7.742 20.961 1.00 37.32 C ATOM 2161 O PRO A 727 2.490 -6.780 21.322 1.00 40.51 O ATOM 2162 CB PRO A 727 5.444 -7.056 21.640 1.00 37.95 C ATOM 2163 CG PRO A 727 6.168 -5.824 21.109 1.00 37.14 C ATOM 2164 CD PRO A 727 5.294 -5.240 20.034 1.00 36.88 C ATOM 2165 N TRP A 728 2.774 -9.021 20.991 1.00 37.20 N ATOM 2166 CA TRP A 728 1.531 -9.556 21.580 1.00 37.57 C ATOM 2167 C TRP A 728 0.363 -9.051 20.747 1.00 37.53 C ATOM 2168 O TRP A 728 -0.754 -8.889 21.364 1.00 39.38 O ATOM 2169 CB TRP A 728 1.406 -9.158 23.041 1.00 37.23 C ATOM 2170 CG TRP A 728 2.500 -9.686 23.904 1.00 42.05 C ATOM 2171 CD1 TRP A 728 3.428 -8.974 24.619 1.00 42.88 C ATOM 2172 CD2 TRP A 728 2.804 -11.066 24.145 1.00 40.71 C ATOM 2173 NE1 TRP A 728 4.283 -9.824 25.285 1.00 40.52 N ATOM 2174 CE2 TRP A 728 3.902 -11.109 25.036 1.00 40.42 C ATOM 2175 CE3 TRP A 728 2.209 -12.264 23.750 1.00 45.47 C ATOM 2176 CZ2 TRP A 728 4.455 -12.305 25.495 1.00 42.18 C ATOM 2177 CZ3 TRP A 728 2.765 -13.454 24.191 1.00 45.54 C ATOM 2178 CH2 TRP A 728 3.867 -13.467 25.060 1.00 41.44 C ATOM 2179 HE1 TRP A 728 5.086 -9.534 25.879 1.00 0.00 H ATOM 2180 H TRP A 728 3.425 -9.707 20.560 1.00 0.00 H ATOM 2181 N TYR A 729 0.575 -8.794 19.441 1.00 36.72 N ATOM 2182 CA TYR A 729 -0.425 -8.060 18.606 1.00 43.21 C ATOM 2183 C TYR A 729 -1.739 -8.857 18.665 1.00 44.20 C ATOM 2184 O TYR A 729 -2.803 -8.276 18.573 1.00 42.42 O ATOM 2185 CB TYR A 729 0.020 -7.768 17.164 1.00 46.91 C ATOM 2186 CG TYR A 729 0.245 -9.043 16.445 1.00 53.73 C ATOM 2187 CD1 TYR A 729 1.387 -9.798 16.711 1.00 58.99 C ATOM 2188 CD2 TYR A 729 -0.766 -9.586 15.664 1.00 59.07 C ATOM 2189 CE1 TYR A 729 1.548 -11.076 16.181 1.00 60.30 C ATOM 2190 CE2 TYR A 729 -0.634 -10.878 15.163 1.00 65.82 C ATOM 2191 CZ TYR A 729 0.525 -11.615 15.415 1.00 62.23 C ATOM 2192 OH TYR A 729 0.670 -12.862 14.882 1.00 69.86 O ATOM 2193 HH TYR A 729 1.543 -13.239 15.159 1.00 0.00 H ATOM 2194 H TYR A 729 1.461 -9.116 19.001 1.00 0.00 H ATOM 2195 N GLN A 730 -1.653 -10.165 18.870 1.00 43.41 N ATOM 2196 CA GLN A 730 -2.844 -11.030 18.850 1.00 49.96 C ATOM 2197 C GLN A 730 -3.697 -10.752 20.091 1.00 48.32 C ATOM 2198 O GLN A 730 -4.807 -11.267 20.093 1.00 50.55 O ATOM 2199 CB GLN A 730 -2.431 -12.502 18.683 1.00 51.36 C ATOM 2200 CG GLN A 730 -1.679 -13.064 19.867 1.00 54.86 C ATOM 2201 CD GLN A 730 -0.177 -12.860 19.837 1.00 56.45 C ATOM 2202 OE1 GLN A 730 0.379 -11.992 19.165 1.00 53.52 O ATOM 2203 NE2 GLN A 730 0.496 -13.630 20.664 1.00 57.34 N ATOM 2204 HE22 GLN A 730 -0.001 -14.356 21.219 1.00 0.00 H ATOM 2205 HE21 GLN A 730 1.525 -13.513 20.762 1.00 0.00 H ATOM 2206 H GLN A 730 -0.721 -10.590 19.049 1.00 0.00 H ATOM 2207 N LEU A 731 -3.180 -9.991 21.071 1.00 46.93 N ATOM 2208 CA LEU A 731 -3.738 -9.812 22.447 1.00 44.25 C ATOM 2209 C LEU A 731 -4.182 -8.371 22.651 1.00 44.73 C ATOM 2210 O LEU A 731 -3.476 -7.439 22.220 1.00 55.68 O ATOM 2211 CB LEU A 731 -2.671 -10.118 23.511 1.00 44.47 C ATOM 2212 CG LEU A 731 -2.058 -11.530 23.552 1.00 47.08 C ATOM 2213 CD1 LEU A 731 -1.081 -11.661 24.733 1.00 45.29 C ATOM 2214 CD2 LEU A 731 -3.146 -12.607 23.627 1.00 46.48 C ATOM 2215 H LEU A 731 -2.304 -9.475 20.850 1.00 0.00 H ATOM 2216 N SER A 732 -5.221 -8.175 23.417 1.00 44.34 N ATOM 2217 CA SER A 732 -5.616 -6.853 23.970 1.00 46.25 C ATOM 2218 C SER A 732 -4.623 -6.373 25.052 1.00 43.77 C ATOM 2219 O SER A 732 -3.671 -7.100 25.464 1.00 42.50 O ATOM 2220 CB SER A 732 -7.035 -6.920 24.533 1.00 45.30 C ATOM 2221 OG SER A 732 -7.076 -7.793 25.661 1.00 49.32 O ATOM 2222 HG SER A 732 -6.793 -8.701 25.385 1.00 0.00 H ATOM 2223 H SER A 732 -5.811 -8.998 23.656 1.00 0.00 H ATOM 2224 N ASN A 733 -4.851 -5.161 25.505 1.00 40.64 N ATOM 2225 CA ASN A 733 -4.050 -4.501 26.556 1.00 43.85 C ATOM 2226 C ASN A 733 -4.118 -5.341 27.844 1.00 43.37 C ATOM 2227 O ASN A 733 -3.047 -5.741 28.345 1.00 41.26 O ATOM 2228 CB ASN A 733 -4.504 -3.035 26.655 1.00 42.37 C ATOM 2229 CG ASN A 733 -3.977 -2.218 25.483 1.00 43.80 C ATOM 2230 OD1 ASN A 733 -2.923 -2.574 24.926 1.00 40.95 O ATOM 2231 ND2 ASN A 733 -4.678 -1.146 25.108 1.00 37.95 N ATOM 2232 HD22 ASN A 733 -5.553 -0.895 25.611 1.00 0.00 H ATOM 2233 HD21 ASN A 733 -4.349 -0.561 24.313 1.00 0.00 H ATOM 2234 H ASN A 733 -5.648 -4.632 25.097 1.00 0.00 H ATOM 2235 N THR A 734 -5.324 -5.677 28.332 1.00 46.13 N ATOM 2236 CA THR A 734 -5.511 -6.486 29.579 1.00 44.34 C ATOM 2237 C THR A 734 -4.895 -7.875 29.379 1.00 42.06 C ATOM 2238 O THR A 734 -4.138 -8.321 30.281 1.00 47.67 O ATOM 2239 CB THR A 734 -6.977 -6.469 30.018 1.00 47.10 C ATOM 2240 OG1 THR A 734 -7.712 -7.011 28.923 1.00 51.18 O ATOM 2241 CG2 THR A 734 -7.473 -5.077 30.350 1.00 48.39 C ATOM 2242 HG1 THR A 734 -8.676 -7.026 29.149 1.00 0.00 H ATOM 2243 H THR A 734 -6.170 -5.359 27.818 1.00 0.00 H ATOM 2244 N GLU A 735 -5.135 -8.529 28.249 1.00 41.58 N ATOM 2245 CA GLU A 735 -4.573 -9.883 27.961 1.00 40.51 C ATOM 2246 C GLU A 735 -3.038 -9.799 27.906 1.00 37.86 C ATOM 2247 O GLU A 735 -2.348 -10.710 28.359 1.00 36.93 O ATOM 2248 CB GLU A 735 -5.116 -10.465 26.650 1.00 43.59 C ATOM 2249 CG GLU A 735 -6.549 -10.994 26.701 1.00 47.77 C ATOM 2250 CD GLU A 735 -7.228 -11.172 25.328 1.00 55.85 C ATOM 2251 OE1 GLU A 735 -6.595 -10.800 24.270 1.00 53.90 O ATOM 2252 OE2 GLU A 735 -8.417 -11.639 25.295 1.00 59.48 O ATOM 2253 H GLU A 735 -5.741 -8.079 27.533 1.00 0.00 H ATOM 2254 N ALA A 736 -2.473 -8.694 27.470 1.00 38.35 N ATOM 2255 CA ALA A 736 -1.003 -8.575 27.333 1.00 37.48 C ATOM 2256 C ALA A 736 -0.386 -8.381 28.701 1.00 38.20 C ATOM 2257 O ALA A 736 0.618 -9.019 28.966 1.00 37.63 O ATOM 2258 CB ALA A 736 -0.651 -7.455 26.387 1.00 36.95 C ATOM 2259 H ALA A 736 -3.073 -7.884 27.215 1.00 0.00 H ATOM 2260 N ILE A 737 -1.042 -7.584 29.549 1.00 40.74 N ATOM 2261 CA ILE A 737 -0.656 -7.419 30.972 1.00 43.60 C ATOM 2262 C ILE A 737 -0.732 -8.785 31.628 1.00 43.82 C ATOM 2263 O ILE A 737 0.247 -9.139 32.342 1.00 46.34 O ATOM 2264 CB ILE A 737 -1.554 -6.398 31.690 1.00 45.66 C ATOM 2265 CG1 ILE A 737 -1.135 -4.985 31.351 1.00 44.09 C ATOM 2266 CG2 ILE A 737 -1.546 -6.603 33.188 1.00 44.84 C ATOM 2267 CD1 ILE A 737 -2.236 -3.971 31.592 1.00 49.24 C ATOM 2268 H ILE A 737 -1.863 -7.053 29.194 1.00 0.00 H ATOM 2269 N ASP A 738 -1.824 -9.525 31.421 1.00 43.80 N ATOM 2270 CA ASP A 738 -1.980 -10.839 32.112 1.00 48.48 C ATOM 2271 C ASP A 738 -0.786 -11.729 31.752 1.00 50.87 C ATOM 2272 O ASP A 738 -0.155 -12.353 32.627 1.00 53.94 O ATOM 2273 CB ASP A 738 -3.226 -11.630 31.706 1.00 48.72 C ATOM 2274 CG ASP A 738 -4.560 -11.050 32.109 1.00 53.54 C ATOM 2275 OD1 ASP A 738 -4.575 -10.090 32.955 1.00 57.75 O ATOM 2276 OD2 ASP A 738 -5.586 -11.564 31.569 1.00 57.68 O ATOM 2277 H ASP A 738 -2.567 -9.185 30.777 1.00 0.00 H ATOM 2278 N CYS A 739 -0.507 -11.812 30.468 1.00 50.76 N ATOM 2279 CA CYS A 739 0.413 -12.811 29.934 1.00 51.70 C ATOM 2280 C CYS A 739 1.843 -12.376 30.265 1.00 46.96 C ATOM 2281 O CYS A 739 2.665 -13.273 30.543 1.00 45.01 O ATOM 2282 CB CYS A 739 0.049 -13.066 28.481 1.00 55.82 C ATOM 2283 SG CYS A 739 1.471 -12.849 27.420 1.00 75.21 S ATOM 2284 H CYS A 739 -0.958 -11.143 29.812 1.00 0.00 H ATOM 2285 N ILE A 740 2.097 -11.069 30.426 1.00 46.75 N ATOM 2286 CA ILE A 740 3.449 -10.555 30.799 1.00 45.81 C ATOM 2287 C ILE A 740 3.720 -10.749 32.282 1.00 49.05 C ATOM 2288 O ILE A 740 4.874 -11.079 32.646 1.00 51.78 O ATOM 2289 CB ILE A 740 3.632 -9.077 30.469 1.00 50.49 C ATOM 2290 CG1 ILE A 740 3.671 -8.822 28.966 1.00 48.29 C ATOM 2291 CG2 ILE A 740 4.896 -8.551 31.147 1.00 55.21 C ATOM 2292 CD1 ILE A 740 3.570 -7.378 28.635 1.00 48.52 C ATOM 2293 H ILE A 740 1.324 -10.388 30.286 1.00 0.00 H ATOM 2294 N THR A 741 2.750 -10.414 33.124 1.00 49.09 N ATOM 2295 CA THR A 741 2.871 -10.632 34.579 1.00 52.65 C ATOM 2296 C THR A 741 2.834 -12.134 34.872 1.00 51.49 C ATOM 2297 O THR A 741 3.502 -12.507 35.804 1.00 57.10 O ATOM 2298 CB THR A 741 1.803 -9.878 35.373 1.00 53.70 C ATOM 2299 OG1 THR A 741 0.530 -10.223 34.824 1.00 54.08 O ATOM 2300 CG2 THR A 741 2.029 -8.383 35.353 1.00 52.38 C ATOM 2301 HG1 THR A 741 0.501 -9.960 33.870 1.00 0.00 H ATOM 2302 H THR A 741 1.880 -9.986 32.748 1.00 0.00 H ATOM 2303 N GLN A 742 2.162 -12.969 34.078 1.00 51.92 N ATOM 2304 CA GLN A 742 2.119 -14.445 34.319 1.00 53.67 C ATOM 2305 C GLN A 742 3.339 -15.168 33.741 1.00 53.38 C ATOM 2306 O GLN A 742 3.420 -16.361 33.939 1.00 57.03 O ATOM 2307 CB GLN A 742 0.798 -15.042 33.823 1.00 55.90 C ATOM 2308 CG GLN A 742 -0.388 -14.613 34.701 1.00 60.27 C ATOM 2309 CD GLN A 742 -1.701 -15.063 34.109 1.00 66.74 C ATOM 2310 OE1 GLN A 742 -1.772 -16.157 33.540 1.00 75.56 O ATOM 2311 NE2 GLN A 742 -2.740 -14.241 34.229 1.00 63.28 N ATOM 2312 HE22 GLN A 742 -2.628 -13.330 34.718 1.00 0.00 H ATOM 2313 HE21 GLN A 742 -3.664 -14.510 33.834 1.00 0.00 H ATOM 2314 H GLN A 742 1.649 -12.580 33.261 1.00 0.00 H ATOM 2315 N GLY A 743 4.275 -14.477 33.090 1.00 56.99 N ATOM 2316 CA GLY A 743 5.609 -15.008 32.719 1.00 52.19 C ATOM 2317 C GLY A 743 5.679 -15.539 31.288 1.00 54.13 C ATOM 2318 O GLY A 743 6.684 -16.203 30.969 1.00 49.32 O ATOM 2319 H GLY A 743 4.054 -13.496 32.824 1.00 0.00 H ATOM 2320 N ARG A 744 4.694 -15.255 30.427 1.00 52.44 N ATOM 2321 CA ARG A 744 4.715 -15.737 29.033 1.00 55.63 C ATOM 2322 C ARG A 744 5.797 -14.936 28.283 1.00 53.79 C ATOM 2323 O ARG A 744 5.906 -13.738 28.554 1.00 54.68 O ATOM 2324 CB ARG A 744 3.310 -15.660 28.430 1.00 62.80 C ATOM 2325 CG ARG A 744 2.523 -16.961 28.498 1.00 70.80 C ATOM 2326 CD ARG A 744 1.470 -17.030 27.394 1.00 78.03 C ATOM 2327 NE ARG A 744 1.989 -17.347 26.054 1.00 77.70 N ATOM 2328 CZ ARG A 744 1.333 -17.146 24.897 1.00 79.67 C ATOM 2329 NH1 ARG A 744 0.135 -16.589 24.889 1.00 78.26 N ATOM 2330 NH2 ARG A 744 1.887 -17.478 23.737 1.00 84.43 N ATOM 2331 HE ARG A 744 2.942 -17.761 25.997 1.00 0.00 H ATOM 2332 HH12 ARG A 744 -0.363 -16.439 23.988 1.00 0.00 H ATOM 2333 HH11 ARG A 744 -0.310 -16.301 25.784 1.00 0.00 H ATOM 2334 HH22 ARG A 744 1.370 -17.318 22.849 1.00 0.00 H ATOM 2335 HH21 ARG A 744 2.838 -17.898 23.716 1.00 0.00 H ATOM 2336 H ARG A 744 3.891 -14.678 30.750 1.00 0.00 H ATOM 2337 N GLU A 745 6.603 -15.591 27.433 1.00 50.92 N ATOM 2338 CA GLU A 745 7.688 -14.981 26.613 1.00 50.18 C ATOM 2339 C GLU A 745 7.251 -14.937 25.158 1.00 46.30 C ATOM 2340 O GLU A 745 6.646 -15.925 24.690 1.00 44.41 O ATOM 2341 CB GLU A 745 9.020 -15.730 26.711 1.00 54.20 C ATOM 2342 CG GLU A 745 9.816 -15.392 27.978 1.00 61.41 C ATOM 2343 CD GLU A 745 11.253 -15.893 27.970 1.00 69.86 C ATOM 2344 OE1 GLU A 745 11.601 -16.680 27.007 1.00 77.85 O ATOM 2345 OE2 GLU A 745 12.021 -15.531 28.920 1.00 66.27 O ATOM 2346 H GLU A 745 6.457 -16.616 27.338 1.00 0.00 H ATOM 2347 N LEU A 746 7.549 -13.835 24.464 1.00 42.04 N ATOM 2348 CA LEU A 746 7.252 -13.746 23.028 1.00 40.56 C ATOM 2349 C LEU A 746 8.017 -14.916 22.363 1.00 42.62 C ATOM 2350 O LEU A 746 9.101 -15.256 22.838 1.00 37.34 O ATOM 2351 CB LEU A 746 7.698 -12.377 22.507 1.00 40.36 C ATOM 2352 CG LEU A 746 6.935 -11.151 23.015 1.00 41.69 C ATOM 2353 CD1 LEU A 746 7.714 -9.867 22.703 1.00 41.77 C ATOM 2354 CD2 LEU A 746 5.548 -11.053 22.406 1.00 41.21 C ATOM 2355 H LEU A 746 7.997 -13.030 24.946 1.00 0.00 H ATOM 2356 N GLU A 747 7.415 -15.527 21.338 1.00 44.26 N ATOM 2357 CA GLU A 747 8.022 -16.696 20.646 1.00 47.36 C ATOM 2358 C GLU A 747 9.035 -16.224 19.598 1.00 51.93 C ATOM 2359 O GLU A 747 8.830 -15.138 19.018 1.00 49.09 O ATOM 2360 CB GLU A 747 6.933 -17.555 20.000 1.00 51.40 C ATOM 2361 CG GLU A 747 5.759 -17.835 20.920 1.00 53.65 C ATOM 2362 CD GLU A 747 4.740 -18.815 20.363 1.00 39.70 C ATOM 2363 OE1 GLU A 747 4.687 -18.971 19.127 1.00 39.81 O ATOM 2364 OE2 GLU A 747 4.002 -19.419 21.167 1.00 39.75 O ATOM 2365 H GLU A 747 6.492 -15.174 21.014 1.00 0.00 H ATOM 2366 N ARG A 748 10.083 -17.023 19.375 1.00 50.20 N ATOM 2367 CA ARG A 748 11.119 -16.705 18.382 1.00 49.26 C ATOM 2368 C ARG A 748 10.487 -16.251 17.079 1.00 48.76 C ATOM 2369 O ARG A 748 9.707 -16.978 16.512 1.00 47.47 O ATOM 2370 CB ARG A 748 11.971 -17.932 18.082 1.00 51.76 C ATOM 2371 CG ARG A 748 13.315 -17.569 17.488 1.00 52.13 C ATOM 2372 CD ARG A 748 14.284 -18.720 17.617 1.00 53.82 C ATOM 2373 NE ARG A 748 13.788 -19.924 16.996 1.00 54.23 N ATOM 2374 CZ ARG A 748 13.688 -20.146 15.682 1.00 60.87 C ATOM 2375 NH1 ARG A 748 14.015 -19.221 14.791 1.00 59.47 N ATOM 2376 NH2 ARG A 748 13.280 -21.329 15.253 1.00 60.96 N ATOM 2377 HE ARG A 748 13.480 -20.689 17.629 1.00 0.00 H ATOM 2378 HH12 ARG A 748 13.926 -19.424 13.775 1.00 0.00 H ATOM 2379 HH11 ARG A 748 14.360 -18.293 15.108 1.00 0.00 H ATOM 2380 HH22 ARG A 748 13.199 -21.512 14.233 1.00 0.00 H ATOM 2381 HH21 ARG A 748 13.041 -22.076 15.936 1.00 0.00 H ATOM 2382 H ARG A 748 10.169 -17.902 19.924 1.00 0.00 H ATOM 2383 N PRO A 749 10.841 -15.058 16.546 1.00 48.27 N ATOM 2384 CA PRO A 749 10.443 -14.671 15.193 1.00 48.63 C ATOM 2385 C PRO A 749 11.085 -15.641 14.172 1.00 51.08 C ATOM 2386 O PRO A 749 12.252 -16.049 14.362 1.00 47.39 O ATOM 2387 CB PRO A 749 11.032 -13.261 15.004 1.00 46.20 C ATOM 2388 CG PRO A 749 11.426 -12.799 16.400 1.00 45.74 C ATOM 2389 CD PRO A 749 11.709 -14.065 17.183 1.00 44.56 C ATOM 2390 N ARG A 750 10.347 -15.955 13.112 1.00 50.08 N ATOM 2391 CA ARG A 750 10.841 -16.793 11.992 1.00 59.86 C ATOM 2392 C ARG A 750 12.296 -16.430 11.612 1.00 56.92 C ATOM 2393 O ARG A 750 13.146 -17.336 11.592 1.00 53.76 O ATOM 2394 CB ARG A 750 9.917 -16.639 10.780 1.00 68.44 C ATOM 2395 CG ARG A 750 9.722 -17.954 10.046 1.00 82.61 C ATOM 2396 CD ARG A 750 9.769 -17.870 8.531 1.00 93.06 C ATOM 2397 NE ARG A 750 9.945 -19.238 8.055 1.00101.89 N ATOM 2398 CZ ARG A 750 9.715 -19.659 6.821 1.00106.05 C ATOM 2399 NH1 ARG A 750 9.307 -18.807 5.894 1.00110.96 N ATOM 2400 NH2 ARG A 750 9.900 -20.935 6.522 1.00106.89 N ATOM 2401 HE ARG A 750 10.279 -19.942 8.743 1.00 0.00 H ATOM 2402 HH12 ARG A 750 9.127 -19.140 4.925 1.00 0.00 H ATOM 2403 HH11 ARG A 750 9.167 -17.805 6.134 1.00 0.00 H ATOM 2404 HH22 ARG A 750 9.722 -21.274 5.555 1.00 0.00 H ATOM 2405 HH21 ARG A 750 10.224 -21.599 7.254 1.00 0.00 H ATOM 2406 H ARG A 750 9.373 -15.594 13.065 1.00 0.00 H ATOM 2407 N ALA A 751 12.597 -15.150 11.366 1.00 52.40 N ATOM 2408 CA ALA A 751 13.881 -14.687 10.789 1.00 51.81 C ATOM 2409 C ALA A 751 14.989 -14.666 11.855 1.00 51.67 C ATOM 2410 O ALA A 751 16.129 -14.287 11.524 1.00 53.58 O ATOM 2411 CB ALA A 751 13.698 -13.344 10.125 1.00 52.81 C ATOM 2412 H ALA A 751 11.881 -14.431 11.595 1.00 0.00 H ATOM 2413 N CYS A 752 14.708 -15.059 13.100 1.00 54.71 N ATOM 2414 CA CYS A 752 15.666 -14.874 14.229 1.00 52.95 C ATOM 2415 C CYS A 752 16.441 -16.172 14.493 1.00 54.41 C ATOM 2416 O CYS A 752 15.918 -17.145 15.021 1.00 50.23 O ATOM 2417 CB CYS A 752 14.935 -14.344 15.456 1.00 47.25 C ATOM 2418 SG CYS A 752 15.923 -14.226 16.984 1.00 49.29 S ATOM 2419 H CYS A 752 13.790 -15.509 13.289 1.00 0.00 H ATOM 2420 N PRO A 753 17.753 -16.220 14.217 1.00 57.14 N ATOM 2421 CA PRO A 753 18.564 -17.364 14.648 1.00 58.51 C ATOM 2422 C PRO A 753 18.396 -17.629 16.151 1.00 55.75 C ATOM 2423 O PRO A 753 18.128 -16.691 16.908 1.00 48.26 O ATOM 2424 CB PRO A 753 20.011 -16.955 14.313 1.00 60.25 C ATOM 2425 CG PRO A 753 19.954 -15.451 14.023 1.00 62.08 C ATOM 2426 CD PRO A 753 18.533 -15.164 13.566 1.00 60.44 C ATOM 2427 N PRO A 754 18.406 -18.910 16.604 1.00 52.74 N ATOM 2428 CA PRO A 754 18.492 -19.260 18.031 1.00 54.69 C ATOM 2429 C PRO A 754 19.526 -18.470 18.852 1.00 54.38 C ATOM 2430 O PRO A 754 19.187 -18.034 19.932 1.00 52.42 O ATOM 2431 CB PRO A 754 18.866 -20.766 18.021 1.00 56.59 C ATOM 2432 CG PRO A 754 18.258 -21.300 16.714 1.00 54.27 C ATOM 2433 CD PRO A 754 18.154 -20.102 15.778 1.00 55.58 C ATOM 2434 N GLU A 755 20.750 -18.332 18.339 1.00 58.68 N ATOM 2435 CA GLU A 755 21.816 -17.427 18.848 1.00 60.71 C ATOM 2436 C GLU A 755 21.192 -16.120 19.332 1.00 57.86 C ATOM 2437 O GLU A 755 21.454 -15.725 20.492 1.00 60.70 O ATOM 2438 CB GLU A 755 22.832 -17.070 17.764 1.00 69.82 C ATOM 2439 CG GLU A 755 23.360 -18.276 16.984 1.00 83.13 C ATOM 2440 CD GLU A 755 24.334 -19.174 17.725 1.00 93.34 C ATOM 2441 OE1 GLU A 755 25.244 -18.638 18.415 1.00101.41 O ATOM 2442 OE2 GLU A 755 24.182 -20.413 17.596 1.00105.05 O ATOM 2443 H GLU A 755 20.980 -18.911 17.506 1.00 0.00 H ATOM 2444 N VAL A 756 20.351 -15.507 18.503 1.00 49.26 N ATOM 2445 CA VAL A 756 19.763 -14.171 18.784 1.00 49.55 C ATOM 2446 C VAL A 756 18.553 -14.323 19.719 1.00 47.28 C ATOM 2447 O VAL A 756 18.360 -13.477 20.612 1.00 44.81 O ATOM 2448 CB VAL A 756 19.439 -13.424 17.467 1.00 49.05 C ATOM 2449 CG1 VAL A 756 18.724 -12.112 17.715 1.00 49.17 C ATOM 2450 CG2 VAL A 756 20.695 -13.183 16.667 1.00 47.65 C ATOM 2451 H VAL A 756 20.093 -15.985 17.616 1.00 0.00 H ATOM 2452 N TYR A 757 17.761 -15.374 19.576 1.00 50.21 N ATOM 2453 CA TYR A 757 16.601 -15.576 20.479 1.00 49.05 C ATOM 2454 C TYR A 757 17.078 -15.695 21.927 1.00 49.66 C ATOM 2455 O TYR A 757 16.338 -15.282 22.871 1.00 49.02 O ATOM 2456 CB TYR A 757 15.768 -16.781 20.087 1.00 48.98 C ATOM 2457 CG TYR A 757 14.483 -16.876 20.868 1.00 51.36 C ATOM 2458 CD1 TYR A 757 13.554 -15.842 20.824 1.00 48.26 C ATOM 2459 CD2 TYR A 757 14.203 -17.976 21.661 1.00 48.04 C ATOM 2460 CE1 TYR A 757 12.334 -15.951 21.461 1.00 48.35 C ATOM 2461 CE2 TYR A 757 12.997 -18.089 22.331 1.00 49.60 C ATOM 2462 CZ TYR A 757 12.076 -17.054 22.258 1.00 48.67 C ATOM 2463 OH TYR A 757 10.893 -17.142 22.909 1.00 44.38 O ATOM 2464 HH TYR A 757 10.366 -16.320 22.746 1.00 0.00 H ATOM 2465 H TYR A 757 17.954 -16.065 18.823 1.00 0.00 H ATOM 2466 N ALA A 758 18.316 -16.137 22.107 1.00 50.66 N ATOM 2467 CA ALA A 758 18.925 -16.343 23.447 1.00 54.73 C ATOM 2468 C ALA A 758 19.264 -14.990 24.073 1.00 52.65 C ATOM 2469 O ALA A 758 19.163 -14.851 25.303 1.00 54.47 O ATOM 2470 CB ALA A 758 20.180 -17.213 23.344 1.00 56.90 C ATOM 2471 H ALA A 758 18.890 -16.350 21.267 1.00 0.00 H ATOM 2472 N ILE A 759 19.760 -14.056 23.263 1.00 51.69 N ATOM 2473 CA ILE A 759 20.048 -12.668 23.717 1.00 48.69 C ATOM 2474 C ILE A 759 18.716 -12.050 24.156 1.00 45.73 C ATOM 2475 O ILE A 759 18.627 -11.505 25.306 1.00 42.28 O ATOM 2476 CB ILE A 759 20.728 -11.882 22.586 1.00 52.51 C ATOM 2477 CG1 ILE A 759 22.001 -12.598 22.115 1.00 53.97 C ATOM 2478 CG2 ILE A 759 20.981 -10.437 23.014 1.00 50.23 C ATOM 2479 CD1 ILE A 759 22.537 -12.114 20.791 1.00 58.88 C ATOM 2480 H ILE A 759 19.954 -14.307 22.273 1.00 0.00 H ATOM 2481 N MET A 760 17.694 -12.177 23.302 1.00 45.86 N ATOM 2482 CA MET A 760 16.321 -11.752 23.677 1.00 48.00 C ATOM 2483 C MET A 760 15.989 -12.332 25.059 1.00 46.67 C ATOM 2484 O MET A 760 15.680 -11.555 25.964 1.00 48.40 O ATOM 2485 CB MET A 760 15.260 -12.196 22.669 1.00 46.93 C ATOM 2486 CG MET A 760 15.286 -11.468 21.414 1.00 46.74 C ATOM 2487 SD MET A 760 13.866 -12.002 20.477 1.00 50.18 S ATOM 2488 CE MET A 760 14.516 -11.883 18.816 1.00 44.02 C ATOM 2489 H MET A 760 17.864 -12.581 22.359 1.00 0.00 H ATOM 2490 N ARG A 761 16.156 -13.632 25.268 1.00 52.17 N ATOM 2491 CA ARG A 761 15.807 -14.282 26.576 1.00 52.91 C ATOM 2492 C ARG A 761 16.687 -13.772 27.723 1.00 49.69 C ATOM 2493 O ARG A 761 16.197 -13.695 28.821 1.00 50.88 O ATOM 2494 CB ARG A 761 15.932 -15.803 26.481 1.00 55.74 C ATOM 2495 CG ARG A 761 14.826 -16.435 25.659 1.00 62.32 C ATOM 2496 CD ARG A 761 14.967 -17.937 25.546 1.00 72.46 C ATOM 2497 NE ARG A 761 13.899 -18.628 26.262 1.00 82.66 N ATOM 2498 CZ ARG A 761 13.366 -19.813 25.919 1.00 92.25 C ATOM 2499 NH1 ARG A 761 13.764 -20.487 24.838 1.00 88.99 N ATOM 2500 NH2 ARG A 761 12.407 -20.314 26.677 1.00 91.97 N ATOM 2501 HE ARG A 761 13.518 -18.163 27.111 1.00 0.00 H ATOM 2502 HH12 ARG A 761 13.327 -21.402 24.605 1.00 0.00 H ATOM 2503 HH11 ARG A 761 14.511 -20.098 24.228 1.00 0.00 H ATOM 2504 HH22 ARG A 761 11.977 -21.229 26.434 1.00 0.00 H ATOM 2505 HH21 ARG A 761 12.082 -19.793 27.516 1.00 0.00 H ATOM 2506 H ARG A 761 16.541 -14.220 24.501 1.00 0.00 H ATOM 2507 N GLY A 762 17.947 -13.426 27.487 1.00 47.99 N ATOM 2508 CA GLY A 762 18.807 -12.864 28.543 1.00 47.36 C ATOM 2509 C GLY A 762 18.238 -11.554 29.058 1.00 51.23 C ATOM 2510 O GLY A 762 18.495 -11.222 30.213 1.00 57.73 O ATOM 2511 H GLY A 762 18.337 -13.555 26.532 1.00 0.00 H ATOM 2512 N CYS A 763 17.482 -10.817 28.240 1.00 50.78 N ATOM 2513 CA CYS A 763 16.909 -9.496 28.609 1.00 48.86 C ATOM 2514 C CYS A 763 15.613 -9.710 29.424 1.00 46.47 C ATOM 2515 O CYS A 763 15.165 -8.763 30.091 1.00 47.90 O ATOM 2516 CB CYS A 763 16.644 -8.640 27.365 1.00 48.52 C ATOM 2517 SG CYS A 763 18.089 -8.238 26.332 1.00 51.56 S ATOM 2518 H CYS A 763 17.283 -11.189 27.290 1.00 0.00 H ATOM 2519 N TRP A 764 15.016 -10.898 29.345 1.00 46.27 N ATOM 2520 CA TRP A 764 13.661 -11.226 29.869 1.00 46.89 C ATOM 2521 C TRP A 764 13.669 -12.191 31.065 1.00 46.32 C ATOM 2522 O TRP A 764 12.628 -12.800 31.314 1.00 48.38 O ATOM 2523 CB TRP A 764 12.819 -11.864 28.771 1.00 45.04 C ATOM 2524 CG TRP A 764 12.596 -10.975 27.603 1.00 44.04 C ATOM 2525 CD1 TRP A 764 12.655 -9.611 27.560 1.00 48.70 C ATOM 2526 CD2 TRP A 764 12.178 -11.400 26.311 1.00 45.99 C ATOM 2527 NE1 TRP A 764 12.367 -9.159 26.300 1.00 47.10 N ATOM 2528 CE2 TRP A 764 12.071 -10.236 25.509 1.00 47.07 C ATOM 2529 CE3 TRP A 764 11.926 -12.649 25.742 1.00 43.39 C ATOM 2530 CZ2 TRP A 764 11.732 -10.296 24.162 1.00 42.16 C ATOM 2531 CZ3 TRP A 764 11.556 -12.695 24.419 1.00 44.29 C ATOM 2532 CH2 TRP A 764 11.451 -11.536 23.648 1.00 42.19 C ATOM 2533 HE1 TRP A 764 12.372 -8.165 25.995 1.00 0.00 H ATOM 2534 H TRP A 764 15.542 -11.663 28.877 1.00 0.00 H ATOM 2535 N GLN A 765 14.785 -12.391 31.738 1.00 49.55 N ATOM 2536 CA GLN A 765 14.790 -13.042 33.063 1.00 53.53 C ATOM 2537 C GLN A 765 13.772 -12.276 33.902 1.00 53.89 C ATOM 2538 O GLN A 765 13.712 -11.078 33.753 1.00 57.25 O ATOM 2539 CB GLN A 765 16.196 -12.980 33.660 1.00 59.87 C ATOM 2540 CG GLN A 765 17.285 -13.582 32.767 1.00 63.49 C ATOM 2541 CD GLN A 765 17.196 -15.081 32.681 1.00 69.40 C ATOM 2542 OE1 GLN A 765 17.199 -15.774 33.699 1.00 78.86 O ATOM 2543 NE2 GLN A 765 17.105 -15.590 31.465 1.00 74.48 N ATOM 2544 HE22 GLN A 765 17.107 -14.961 30.637 1.00 0.00 H ATOM 2545 HE21 GLN A 765 17.032 -16.619 31.336 1.00 0.00 H ATOM 2546 H GLN A 765 15.687 -12.081 31.324 1.00 0.00 H ATOM 2547 N ARG A 766 12.935 -12.959 34.666 1.00 58.20 N ATOM 2548 CA ARG A 766 11.911 -12.352 35.563 1.00 61.86 C ATOM 2549 C ARG A 766 12.593 -11.448 36.596 1.00 61.02 C ATOM 2550 O ARG A 766 12.052 -10.363 36.921 1.00 60.06 O ATOM 2551 CB ARG A 766 11.120 -13.469 36.262 1.00 69.52 C ATOM 2552 CG ARG A 766 10.119 -13.034 37.319 1.00 72.59 C ATOM 2553 CD ARG A 766 9.083 -12.099 36.736 1.00 80.73 C ATOM 2554 NE ARG A 766 8.017 -11.862 37.694 1.00 85.33 N ATOM 2555 CZ ARG A 766 6.792 -12.364 37.612 1.00 86.24 C ATOM 2556 NH1 ARG A 766 6.438 -13.119 36.588 1.00 80.69 N ATOM 2557 NH2 ARG A 766 5.912 -12.082 38.558 1.00 93.77 N ATOM 2558 HE ARG A 766 8.231 -11.251 38.508 1.00 0.00 H ATOM 2559 HH12 ARG A 766 5.474 -13.506 36.536 1.00 0.00 H ATOM 2560 HH11 ARG A 766 7.123 -13.326 35.833 1.00 0.00 H ATOM 2561 HH22 ARG A 766 4.949 -12.470 38.504 1.00 0.00 H ATOM 2562 HH21 ARG A 766 6.183 -11.472 39.356 1.00 0.00 H ATOM 2563 H ARG A 766 12.996 -13.997 34.639 1.00 0.00 H ATOM 2564 N GLU A 767 13.716 -11.883 37.136 1.00 61.50 N ATOM 2565 CA GLU A 767 14.382 -11.116 38.209 1.00 65.72 C ATOM 2566 C GLU A 767 15.315 -10.132 37.521 1.00 60.54 C ATOM 2567 O GLU A 767 16.184 -10.539 36.737 1.00 60.66 O ATOM 2568 CB GLU A 767 15.007 -12.082 39.228 1.00 77.22 C ATOM 2569 CG GLU A 767 13.945 -12.669 40.174 1.00 89.89 C ATOM 2570 CD GLU A 767 14.259 -13.973 40.913 1.00104.40 C ATOM 2571 OE1 GLU A 767 14.796 -13.902 42.043 1.00111.41 O ATOM 2572 OE2 GLU A 767 13.945 -15.070 40.373 1.00114.74 O ATOM 2573 H GLU A 767 14.136 -12.774 36.803 1.00 0.00 H ATOM 2574 N PRO A 768 15.093 -8.816 37.737 1.00 55.68 N ATOM 2575 CA PRO A 768 15.966 -7.777 37.182 1.00 57.73 C ATOM 2576 C PRO A 768 17.486 -8.047 37.236 1.00 60.52 C ATOM 2577 O PRO A 768 18.189 -7.850 36.206 1.00 61.80 O ATOM 2578 CB PRO A 768 15.580 -6.524 38.012 1.00 56.69 C ATOM 2579 CG PRO A 768 14.118 -6.753 38.408 1.00 53.00 C ATOM 2580 CD PRO A 768 13.939 -8.253 38.476 1.00 52.06 C ATOM 2581 N GLN A 769 18.007 -8.457 38.395 1.00 62.25 N ATOM 2582 CA GLN A 769 19.484 -8.543 38.604 1.00 72.30 C ATOM 2583 C GLN A 769 20.068 -9.701 37.769 1.00 68.39 C ATOM 2584 O GLN A 769 21.295 -9.685 37.504 1.00 66.52 O ATOM 2585 CB GLN A 769 19.834 -8.635 40.101 1.00 84.14 C ATOM 2586 CG GLN A 769 19.790 -7.293 40.851 1.00 90.68 C ATOM 2587 CD GLN A 769 19.967 -6.068 39.970 1.00 95.78 C ATOM 2588 OE1 GLN A 769 21.030 -5.448 39.919 1.00 96.40 O ATOM 2589 NE2 GLN A 769 18.923 -5.703 39.236 1.00102.95 N ATOM 2590 HE22 GLN A 769 18.034 -6.240 39.293 1.00 0.00 H ATOM 2591 HE21 GLN A 769 18.994 -4.880 38.604 1.00 0.00 H ATOM 2592 H GLN A 769 17.369 -8.723 39.172 1.00 0.00 H ATOM 2593 N GLN A 770 19.213 -10.627 37.326 1.00 64.58 N ATOM 2594 CA GLN A 770 19.568 -11.780 36.467 1.00 65.19 C ATOM 2595 C GLN A 770 19.608 -11.385 34.988 1.00 59.96 C ATOM 2596 O GLN A 770 20.102 -12.212 34.178 1.00 61.82 O ATOM 2597 CB GLN A 770 18.513 -12.872 36.621 1.00 69.45 C ATOM 2598 CG GLN A 770 18.362 -13.383 38.037 1.00 75.67 C ATOM 2599 CD GLN A 770 19.488 -14.299 38.431 1.00 80.65 C ATOM 2600 OE1 GLN A 770 20.240 -14.011 39.362 1.00 91.33 O ATOM 2601 NE2 GLN A 770 19.604 -15.412 37.725 1.00 83.93 N ATOM 2602 HE22 GLN A 770 18.941 -15.606 36.948 1.00 0.00 H ATOM 2603 HE21 GLN A 770 20.358 -16.093 37.947 1.00 0.00 H ATOM 2604 H GLN A 770 18.216 -10.530 37.607 1.00 0.00 H ATOM 2605 N ARG A 771 18.983 -10.275 34.589 1.00 54.22 N ATOM 2606 CA ARG A 771 18.989 -9.929 33.146 1.00 54.79 C ATOM 2607 C ARG A 771 20.439 -9.583 32.825 1.00 52.19 C ATOM 2608 O ARG A 771 21.066 -8.980 33.675 1.00 52.66 O ATOM 2609 CB ARG A 771 18.068 -8.764 32.783 1.00 51.77 C ATOM 2610 CG ARG A 771 16.593 -9.086 32.946 1.00 50.93 C ATOM 2611 CD ARG A 771 15.764 -7.820 33.098 1.00 46.61 C ATOM 2612 NE ARG A 771 14.488 -8.271 33.594 1.00 47.57 N ATOM 2613 CZ ARG A 771 13.601 -7.512 34.200 1.00 46.21 C ATOM 2614 NH1 ARG A 771 13.813 -6.215 34.327 1.00 44.32 N ATOM 2615 NH2 ARG A 771 12.515 -8.069 34.689 1.00 44.12 N ATOM 2616 HE ARG A 771 14.250 -9.275 33.462 1.00 0.00 H ATOM 2617 HH12 ARG A 771 13.110 -5.618 34.807 1.00 0.00 H ATOM 2618 HH11 ARG A 771 14.683 -5.791 33.947 1.00 0.00 H ATOM 2619 HH22 ARG A 771 11.803 -7.484 35.171 1.00 0.00 H ATOM 2620 HH21 ARG A 771 12.368 -9.094 34.593 1.00 0.00 H ATOM 2621 H ARG A 771 18.500 -9.663 35.278 1.00 0.00 H ATOM 2622 N HIS A 772 20.954 -10.007 31.688 1.00 50.34 N ATOM 2623 CA HIS A 772 22.264 -9.534 31.173 1.00 54.29 C ATOM 2624 C HIS A 772 22.284 -7.999 31.127 1.00 54.52 C ATOM 2625 O HIS A 772 21.227 -7.359 30.915 1.00 52.80 O ATOM 2626 CB HIS A 772 22.569 -10.165 29.814 1.00 54.31 C ATOM 2627 CG HIS A 772 22.596 -11.653 29.848 1.00 60.38 C ATOM 2628 ND1 HIS A 772 22.595 -12.370 31.035 1.00 68.62 N ATOM 2629 CD2 HIS A 772 22.686 -12.559 28.855 1.00 67.78 C ATOM 2630 CE1 HIS A 772 22.638 -13.657 30.761 1.00 72.88 C ATOM 2631 NE2 HIS A 772 22.707 -13.801 29.416 1.00 68.78 N ATOM 2632 H HIS A 772 20.420 -10.702 31.128 1.00 0.00 H ATOM 2633 N SER A 773 23.471 -7.438 31.314 1.00 56.13 N ATOM 2634 CA SER A 773 23.760 -5.994 31.233 1.00 55.66 C ATOM 2635 C SER A 773 23.741 -5.585 29.762 1.00 52.24 C ATOM 2636 O SER A 773 24.129 -6.402 28.913 1.00 56.51 O ATOM 2637 CB SER A 773 25.087 -5.660 31.879 1.00 59.80 C ATOM 2638 OG SER A 773 26.131 -5.603 30.910 1.00 66.36 O ATOM 2639 HG SER A 773 26.210 -6.481 30.460 1.00 0.00 H ATOM 2640 H SER A 773 24.266 -8.070 31.537 1.00 0.00 H ATOM 2641 N ILE A 774 23.442 -4.323 29.496 1.00 49.22 N ATOM 2642 CA ILE A 774 23.359 -3.802 28.115 1.00 50.52 C ATOM 2643 C ILE A 774 24.738 -3.900 27.431 1.00 50.50 C ATOM 2644 O ILE A 774 24.789 -4.181 26.204 1.00 44.96 O ATOM 2645 CB ILE A 774 22.714 -2.393 28.135 1.00 53.03 C ATOM 2646 CG1 ILE A 774 22.149 -2.008 26.763 1.00 51.33 C ATOM 2647 CG2 ILE A 774 23.655 -1.329 28.692 1.00 52.52 C ATOM 2648 CD1 ILE A 774 21.178 -3.028 26.143 1.00 52.07 C ATOM 2649 H ILE A 774 23.259 -3.674 30.288 1.00 0.00 H ATOM 2650 N LYS A 775 25.819 -3.679 28.175 1.00 56.61 N ATOM 2651 CA LYS A 775 27.224 -3.857 27.715 1.00 57.92 C ATOM 2652 C LYS A 775 27.354 -5.253 27.081 1.00 59.32 C ATOM 2653 O LYS A 775 27.881 -5.354 25.920 1.00 54.88 O ATOM 2654 CB LYS A 775 28.173 -3.666 28.911 1.00 64.52 C ATOM 2655 CG LYS A 775 29.403 -2.788 28.687 1.00 64.14 C ATOM 2656 CD LYS A 775 30.575 -3.198 29.547 1.00 37.24 C ATOM 2657 CE LYS A 775 32.032 -3.269 29.118 1.00 37.25 C ATOM 2658 NZ LYS A 775 32.966 -2.995 30.243 1.00 37.17 N ATOM 2659 HZ1 LYS A 775 32.786 -2.041 30.617 1.00 0.00 H ATOM 2660 HZ2 LYS A 775 32.817 -3.698 30.995 1.00 0.00 H ATOM 2661 HZ3 LYS A 775 33.946 -3.055 29.901 1.00 0.00 H ATOM 2662 H LYS A 775 25.671 -3.357 29.153 1.00 0.00 H ATOM 2663 N ASP A 776 26.881 -6.293 27.787 1.00 57.98 N ATOM 2664 CA ASP A 776 26.986 -7.709 27.316 1.00 61.98 C ATOM 2665 C ASP A 776 26.146 -7.893 26.050 1.00 54.03 C ATOM 2666 O ASP A 776 26.573 -8.592 25.141 1.00 53.24 O ATOM 2667 CB ASP A 776 26.539 -8.766 28.352 1.00 69.49 C ATOM 2668 CG ASP A 776 27.582 -9.107 29.417 1.00 77.60 C ATOM 2669 OD1 ASP A 776 28.745 -8.679 29.247 1.00 79.16 O ATOM 2670 OD2 ASP A 776 27.216 -9.777 30.433 1.00 79.72 O ATOM 2671 H ASP A 776 26.422 -6.106 28.701 1.00 0.00 H ATOM 2672 N VAL A 777 24.952 -7.330 26.015 1.00 50.42 N ATOM 2673 CA VAL A 777 24.056 -7.483 24.841 1.00 48.50 C ATOM 2674 C VAL A 777 24.724 -6.777 23.649 1.00 43.32 C ATOM 2675 O VAL A 777 24.889 -7.392 22.610 1.00 41.11 O ATOM 2676 CB VAL A 777 22.639 -6.992 25.192 1.00 46.86 C ATOM 2677 CG1 VAL A 777 21.702 -6.975 23.995 1.00 46.02 C ATOM 2678 CG2 VAL A 777 22.071 -7.855 26.318 1.00 51.82 C ATOM 2679 H VAL A 777 24.632 -6.767 26.828 1.00 0.00 H ATOM 2680 N HIS A 778 25.143 -5.538 23.780 1.00 45.76 N ATOM 2681 CA HIS A 778 25.804 -4.844 22.649 1.00 50.12 C ATOM 2682 C HIS A 778 26.927 -5.739 22.102 1.00 51.19 C ATOM 2683 O HIS A 778 26.975 -5.993 20.872 1.00 50.34 O ATOM 2684 CB HIS A 778 26.337 -3.509 23.110 1.00 50.53 C ATOM 2685 CG HIS A 778 27.071 -2.805 22.047 1.00 53.22 C ATOM 2686 ND1 HIS A 778 28.397 -2.472 22.183 1.00 57.93 N ATOM 2687 CD2 HIS A 778 26.649 -2.337 20.855 1.00 54.50 C ATOM 2688 CE1 HIS A 778 28.779 -1.795 21.118 1.00 61.90 C ATOM 2689 NE2 HIS A 778 27.714 -1.705 20.273 1.00 60.72 N ATOM 2690 H HIS A 778 25.010 -5.041 24.684 1.00 0.00 H ATOM 2691 N ALA A 779 27.756 -6.269 22.998 1.00 51.81 N ATOM 2692 CA ALA A 779 28.982 -6.990 22.606 1.00 57.03 C ATOM 2693 C ALA A 779 28.563 -8.235 21.815 1.00 55.39 C ATOM 2694 O ALA A 779 29.153 -8.506 20.786 1.00 56.99 O ATOM 2695 CB ALA A 779 29.805 -7.305 23.835 1.00 59.48 C ATOM 2696 H ALA A 779 27.532 -6.172 24.009 1.00 0.00 H ATOM 2697 N ARG A 780 27.497 -8.903 22.231 1.00 54.07 N ATOM 2698 CA ARG A 780 26.985 -10.067 21.488 1.00 56.12 C ATOM 2699 C ARG A 780 26.441 -9.606 20.135 1.00 55.64 C ATOM 2700 O ARG A 780 26.702 -10.303 19.136 1.00 55.38 O ATOM 2701 CB ARG A 780 25.949 -10.835 22.307 1.00 60.58 C ATOM 2702 CG ARG A 780 26.586 -11.739 23.352 1.00 68.48 C ATOM 2703 CD ARG A 780 25.651 -12.097 24.493 1.00 72.08 C ATOM 2704 NE ARG A 780 24.970 -13.369 24.279 1.00 76.58 N ATOM 2705 CZ ARG A 780 23.810 -13.716 24.844 1.00 82.85 C ATOM 2706 NH1 ARG A 780 23.164 -12.873 25.648 1.00 88.20 N ATOM 2707 NH2 ARG A 780 23.285 -14.899 24.563 1.00 76.75 N ATOM 2708 HE ARG A 780 25.420 -14.056 23.640 1.00 0.00 H ATOM 2709 HH12 ARG A 780 22.262 -13.156 26.081 1.00 0.00 H ATOM 2710 HH11 ARG A 780 23.562 -11.932 25.842 1.00 0.00 H ATOM 2711 HH22 ARG A 780 22.383 -15.183 24.995 1.00 0.00 H ATOM 2712 HH21 ARG A 780 23.775 -15.544 23.910 1.00 0.00 H ATOM 2713 H ARG A 780 27.012 -8.599 23.100 1.00 0.00 H ATOM 2714 N LEU A 781 25.704 -8.503 20.059 1.00 49.39 N ATOM 2715 CA LEU A 781 25.052 -8.186 18.762 1.00 48.16 C ATOM 2716 C LEU A 781 26.100 -7.642 17.806 1.00 46.55 C ATOM 2717 O LEU A 781 26.043 -8.043 16.623 1.00 43.56 O ATOM 2718 CB LEU A 781 23.900 -7.207 18.968 1.00 46.08 C ATOM 2719 CG LEU A 781 22.758 -7.811 19.780 1.00 43.44 C ATOM 2720 CD1 LEU A 781 21.813 -6.707 20.260 1.00 45.76 C ATOM 2721 CD2 LEU A 781 22.036 -8.841 18.949 1.00 40.98 C ATOM 2722 H LEU A 781 25.587 -7.880 20.883 1.00 0.00 H ATOM 2723 N GLN A 782 27.031 -6.821 18.307 1.00 46.64 N ATOM 2724 CA GLN A 782 28.109 -6.237 17.470 1.00 49.83 C ATOM 2725 C GLN A 782 28.941 -7.362 16.855 1.00 50.48 C ATOM 2726 O GLN A 782 29.171 -7.364 15.652 1.00 49.07 O ATOM 2727 CB GLN A 782 29.062 -5.357 18.265 1.00 51.25 C ATOM 2728 CG GLN A 782 30.084 -4.732 17.347 1.00 56.13 C ATOM 2729 CD GLN A 782 30.681 -3.450 17.885 1.00 60.14 C ATOM 2730 OE1 GLN A 782 31.670 -3.478 18.610 1.00 58.10 O ATOM 2731 NE2 GLN A 782 30.136 -2.314 17.455 1.00 63.85 N ATOM 2732 HE22 GLN A 782 29.297 -2.340 16.841 1.00 0.00 H ATOM 2733 HE21 GLN A 782 30.549 -1.401 17.733 1.00 0.00 H ATOM 2734 H GLN A 782 26.998 -6.584 19.319 1.00 0.00 H ATOM 2735 N ALA A 783 29.378 -8.301 17.677 1.00 54.75 N ATOM 2736 CA ALA A 783 30.219 -9.431 17.224 1.00 57.10 C ATOM 2737 C ALA A 783 29.489 -10.144 16.087 1.00 57.42 C ATOM 2738 O ALA A 783 30.111 -10.317 15.022 1.00 60.30 O ATOM 2739 CB ALA A 783 30.495 -10.349 18.379 1.00 55.83 C ATOM 2740 H ALA A 783 29.120 -8.243 18.683 1.00 0.00 H ATOM 2741 N LEU A 784 28.204 -10.486 16.284 1.00 55.20 N ATOM 2742 CA LEU A 784 27.323 -11.056 15.217 1.00 54.20 C ATOM 2743 C LEU A 784 27.269 -10.119 14.001 1.00 52.64 C ATOM 2744 O LEU A 784 27.477 -10.577 12.873 1.00 52.54 O ATOM 2745 CB LEU A 784 25.927 -11.317 15.788 1.00 54.32 C ATOM 2746 CG LEU A 784 25.841 -12.517 16.737 1.00 57.39 C ATOM 2747 CD1 LEU A 784 24.467 -12.647 17.338 1.00 57.16 C ATOM 2748 CD2 LEU A 784 26.219 -13.822 16.052 1.00 61.77 C ATOM 2749 H LEU A 784 27.799 -10.347 17.232 1.00 0.00 H ATOM 2750 N ALA A 785 27.013 -8.830 14.201 1.00 50.67 N ATOM 2751 CA ALA A 785 26.819 -7.868 13.090 1.00 48.26 C ATOM 2752 C ALA A 785 28.081 -7.803 12.221 1.00 49.79 C ATOM 2753 O ALA A 785 27.923 -7.614 10.990 1.00 45.96 O ATOM 2754 CB ALA A 785 26.463 -6.506 13.627 1.00 45.83 C ATOM 2755 H ALA A 785 26.946 -8.482 15.179 1.00 0.00 H ATOM 2756 N GLN A 786 29.266 -7.891 12.852 1.00 51.67 N ATOM 2757 CA GLN A 786 30.602 -7.728 12.223 1.00 55.51 C ATOM 2758 C GLN A 786 31.142 -9.095 11.744 1.00 60.68 C ATOM 2759 O GLN A 786 32.096 -9.067 10.954 1.00 59.31 O ATOM 2760 CB GLN A 786 31.547 -7.001 13.186 1.00 59.48 C ATOM 2761 CG GLN A 786 31.344 -5.487 13.153 1.00 66.71 C ATOM 2762 CD GLN A 786 31.788 -4.705 14.374 1.00 69.37 C ATOM 2763 OE1 GLN A 786 32.631 -5.140 15.149 1.00 65.53 O ATOM 2764 NE2 GLN A 786 31.239 -3.503 14.535 1.00 74.50 N ATOM 2765 HE22 GLN A 786 30.526 -3.162 13.859 1.00 0.00 H ATOM 2766 HE21 GLN A 786 31.523 -2.905 15.337 1.00 0.00 H ATOM 2767 H GLN A 786 29.245 -8.091 13.872 1.00 0.00 H ATOM 2768 N ALA A 787 30.545 -10.233 12.157 1.00 57.29 N ATOM 2769 CA ALA A 787 30.922 -11.604 11.749 1.00 53.24 C ATOM 2770 C ALA A 787 30.981 -11.704 10.233 1.00 56.71 C ATOM 2771 O ALA A 787 30.180 -11.080 9.528 1.00 60.35 O ATOM 2772 CB ALA A 787 29.943 -12.632 12.272 1.00 53.75 C ATOM 2773 H ALA A 787 29.750 -10.137 12.821 1.00 0.00 H ATOM 2774 N PRO A 788 31.886 -12.558 9.690 1.00 56.05 N ATOM 2775 CA PRO A 788 31.995 -12.743 8.242 1.00 54.55 C ATOM 2776 C PRO A 788 30.801 -13.542 7.742 1.00 53.54 C ATOM 2777 O PRO A 788 30.307 -14.414 8.455 1.00 57.31 O ATOM 2778 CB PRO A 788 33.268 -13.580 8.049 1.00 55.48 C ATOM 2779 CG PRO A 788 33.429 -14.306 9.372 1.00 54.71 C ATOM 2780 CD PRO A 788 32.777 -13.446 10.446 1.00 53.35 C ATOM 2781 N PRO A 789 30.303 -13.250 6.526 1.00 53.23 N ATOM 2782 CA PRO A 789 29.200 -14.000 5.923 1.00 55.50 C ATOM 2783 C PRO A 789 29.215 -15.532 6.108 1.00 57.96 C ATOM 2784 O PRO A 789 28.166 -16.079 6.354 1.00 62.01 O ATOM 2785 CB PRO A 789 29.298 -13.685 4.415 1.00 56.37 C ATOM 2786 CG PRO A 789 30.218 -12.454 4.294 1.00 59.44 C ATOM 2787 CD PRO A 789 30.771 -12.147 5.677 1.00 56.15 C ATOM 2788 N VAL A 790 30.382 -16.177 5.997 1.00 53.54 N ATOM 2789 CA VAL A 790 30.550 -17.648 6.173 1.00 53.83 C ATOM 2790 C VAL A 790 29.972 -18.044 7.540 1.00 51.53 C ATOM 2791 O VAL A 790 29.197 -18.997 7.588 1.00 48.94 O ATOM 2792 CB VAL A 790 32.031 -18.035 5.972 1.00 54.74 C ATOM 2793 CG1 VAL A 790 32.336 -19.436 6.400 1.00 58.20 C ATOM 2794 CG2 VAL A 790 32.490 -17.819 4.535 1.00 55.44 C ATOM 2795 H VAL A 790 31.228 -15.615 5.773 1.00 0.00 H ATOM 2796 N TYR A 791 30.233 -17.270 8.596 1.00 50.77 N ATOM 2797 CA TYR A 791 29.703 -17.540 9.962 1.00 52.24 C ATOM 2798 C TYR A 791 28.185 -17.297 9.977 1.00 53.20 C ATOM 2799 O TYR A 791 27.386 -18.100 10.525 1.00 48.52 O ATOM 2800 CB TYR A 791 30.419 -16.687 11.026 1.00 52.84 C ATOM 2801 CG TYR A 791 30.076 -17.054 12.449 1.00 49.25 C ATOM 2802 CD1 TYR A 791 30.603 -18.180 13.010 1.00 48.99 C ATOM 2803 CD2 TYR A 791 29.295 -16.248 13.261 1.00 50.52 C ATOM 2804 CE1 TYR A 791 30.301 -18.573 14.296 1.00 50.65 C ATOM 2805 CE2 TYR A 791 29.027 -16.588 14.584 1.00 49.15 C ATOM 2806 CZ TYR A 791 29.489 -17.789 15.075 1.00 52.25 C ATOM 2807 OH TYR A 791 29.233 -18.254 16.322 1.00 56.80 O ATOM 2808 HH TYR A 791 29.671 -19.134 16.441 1.00 0.00 H ATOM 2809 H TYR A 791 30.838 -16.435 8.458 1.00 0.00 H ATOM 2810 N LEU A 792 27.777 -16.188 9.387 1.00 55.10 N ATOM 2811 CA LEU A 792 26.362 -15.768 9.480 1.00 59.38 C ATOM 2812 C LEU A 792 25.474 -16.723 8.700 1.00 57.76 C ATOM 2813 O LEU A 792 24.403 -16.970 9.212 1.00 57.28 O ATOM 2814 CB LEU A 792 26.207 -14.342 8.962 1.00 61.67 C ATOM 2815 CG LEU A 792 26.725 -13.265 9.910 1.00 61.75 C ATOM 2816 CD1 LEU A 792 26.381 -11.874 9.371 1.00 62.68 C ATOM 2817 CD2 LEU A 792 26.170 -13.487 11.309 1.00 61.21 C ATOM 2818 H LEU A 792 28.455 -15.607 8.854 1.00 0.00 H ATOM 2819 N ASP A 793 25.932 -17.247 7.553 1.00 60.53 N ATOM 2820 CA ASP A 793 25.128 -18.093 6.620 1.00 63.14 C ATOM 2821 C ASP A 793 24.662 -19.371 7.294 1.00 61.30 C ATOM 2822 O ASP A 793 23.624 -19.897 6.824 1.00 63.49 O ATOM 2823 CB ASP A 793 25.854 -18.434 5.314 1.00 67.38 C ATOM 2824 CG ASP A 793 25.911 -17.213 4.395 1.00 74.77 C ATOM 2825 OD1 ASP A 793 25.467 -16.120 4.854 1.00 76.81 O ATOM 2826 OD2 ASP A 793 26.400 -17.337 3.234 1.00 81.47 O ATOM 2827 H ASP A 793 26.920 -17.050 7.294 1.00 0.00 H ATOM 2828 N VAL A 794 25.353 -19.813 8.350 1.00 59.19 N ATOM 2829 CA VAL A 794 25.036 -21.081 9.067 1.00 59.81 C ATOM 2830 C VAL A 794 24.540 -20.775 10.465 1.00 60.32 C ATOM 2831 O VAL A 794 24.478 -21.724 11.216 1.00 66.46 O ATOM 2832 CB VAL A 794 26.250 -22.028 9.137 1.00 61.11 C ATOM 2833 CG1 VAL A 794 26.741 -22.392 7.739 1.00 58.78 C ATOM 2834 CG2 VAL A 794 27.387 -21.435 9.962 1.00 60.60 C ATOM 2835 H VAL A 794 26.154 -19.242 8.689 1.00 0.00 H ATOM 2836 N LEU A 795 24.191 -19.531 10.803 1.00 65.41 N ATOM 2837 CA LEU A 795 23.481 -19.229 12.088 1.00 70.28 C ATOM 2838 C LEU A 795 22.037 -19.747 12.013 1.00 77.27 C ATOM 2839 O LEU A 795 21.379 -19.509 11.003 1.00 81.60 O ATOM 2840 CB LEU A 795 23.464 -17.717 12.321 1.00 68.71 C ATOM 2841 CG LEU A 795 24.578 -17.105 13.173 1.00 70.45 C ATOM 2842 CD1 LEU A 795 23.990 -16.171 14.229 1.00 66.77 C ATOM 2843 CD2 LEU A 795 25.448 -18.152 13.833 1.00 72.31 C ATOM 2844 H LEU A 795 24.418 -18.749 10.156 1.00 0.00 H TER 2845 LEU A 795 HETATM 2846 O HOH 1 10.791 31.428 16.814 1.00 58.56 O HETATM 2847 O HOH 2 11.106 12.121 6.569 1.00 54.42 O HETATM 2848 O HOH 3 10.248 8.725 24.348 1.00 41.27 O HETATM 2849 O HOH 4 5.359 0.599 16.854 1.00 44.03 O HETATM 2850 O HOH 5 22.382 22.477 23.056 1.00 34.78 O HETATM 2851 O HOH 6 6.096 -5.924 9.192 1.00 43.38 O HETATM 2852 O HOH 7 6.088 -2.780 16.922 1.00 39.50 O HETATM 2853 O HOH 8 5.269 2.204 11.770 1.00 44.72 O HETATM 2854 O HOH 9 1.388 -1.206 16.645 1.00 48.12 O HETATM 2855 O HOH 10 7.611 0.478 18.169 1.00 31.34 O HETATM 2856 O HOH 11 0.361 24.304 30.880 1.00 65.41 O HETATM 2857 O HOH 12 1.616 -1.424 24.731 1.00 39.25 O HETATM 2858 O HOH 13 3.455 16.325 20.901 1.00 65.74 O HETATM 2859 O HOH 14 27.504 -0.971 17.622 1.00 57.43 O HETATM 2860 O HOH 15 7.800 8.488 24.522 1.00 49.05 O HETATM 2861 O HOH 16 13.753 7.950 22.078 1.00 32.49 O HETATM 2862 O HOH 17 8.325 1.048 25.160 1.00 34.18 O HETATM 2863 O HOH 18 6.864 -6.961 27.743 1.00 39.60 O HETATM 2864 O HOH 19 11.182 4.318 5.945 1.00 43.05 O HETATM 2865 O HOH 20 19.320 11.349 7.258 1.00 39.59 O HETATM 2866 O HOH 21 -1.177 -15.844 22.341 1.00 37.51 O HETATM 2867 O HOH 22 21.606 10.391 8.579 1.00 53.04 O HETATM 2868 O HOH 23 3.353 -11.620 19.644 1.00 45.55 O HETATM 2869 O HOH 24 -5.755 2.114 25.586 1.00 39.67 O HETATM 2870 O HOH 25 10.658 3.553 39.504 1.00 56.14 O HETATM 2871 O HOH 26 21.221 18.281 4.384 1.00 52.52 O HETATM 2872 O HOH 27 3.546 21.385 5.342 1.00 39.86 O HETATM 2873 O HOH 28 7.231 10.098 22.275 1.00 47.55 O HETATM 2874 O HOH 29 6.810 -9.235 26.843 1.00 42.57 O HETATM 2875 O HOH 30 14.867 -14.694 36.909 1.00 56.04 O HETATM 2876 O HOH 31 4.468 10.574 23.585 1.00 52.73 O HETATM 2877 O HOH 32 4.639 -14.356 20.612 1.00 42.29 O HETATM 2878 O HOH 33 -6.992 -3.866 23.552 1.00 49.22 O HETATM 2879 O HOH 34 8.718 -11.456 26.216 1.00 44.84 O HETATM 2880 O HOH 35 12.290 12.033 10.583 1.00 45.15 O HETATM 2881 O HOH 36 1.299 -5.308 14.140 1.00 37.81 O HETATM 2882 O HOH 37 21.975 -20.712 4.136 1.00 62.56 O HETATM 2883 O HOH 38 13.924 13.391 11.464 1.00 40.46 O HETATM 2884 O HOH 39 12.362 3.930 3.595 1.00 55.90 O HETATM 2885 O HOH 40 11.660 9.360 31.104 1.00 57.68 O HETATM 2886 O HOH 41 7.812 8.015 28.553 1.00 46.55 O HETATM 2887 O HOH 42 28.779 3.106 18.830 1.00 60.53 O HETATM 2888 O HOH 43 7.736 -13.733 13.070 1.00 45.99 O HETATM 2889 O HOH 44 5.088 -4.022 0.634 1.00 63.68 O HETATM 2890 O HOH 45 7.388 9.385 30.858 1.00 54.14 O HETATM 2891 O HOH 46 9.936 12.852 11.317 1.00 67.76 O HETATM 2892 C1 L A 0 6.066 14.691 26.330 1.00 -0.03 C HETATM 2893 C2 L A 0 7.051 13.562 26.181 1.00 -0.01 C HETATM 2894 C3 L A 0 6.728 12.272 26.584 1.00 -0.07 C HETATM 2895 C4 L A 0 7.622 11.198 26.424 1.00 -0.04 C HETATM 2896 C5 L A 0 8.815 11.398 25.833 1.00 0.07 C HETATM 2897 N6 L A 0 9.132 12.661 25.381 1.00 -0.18 N HETATM 2898 C7 L A 0 8.272 13.741 25.540 1.00 0.13 C HETATM 2899 N8 L A 0 8.810 14.841 25.012 1.00 -0.35 N HETATM 2900 C9 L A 0 10.022 14.473 24.497 1.00 0.04 C HETATM 2901 C16 L A 0 10.258 13.150 24.735 1.00 0.21 C HETATM 2902 N17 L A 0 11.313 12.384 24.278 1.00 -0.21 N HETATM 2903 C18 L A 0 12.473 12.081 24.831 1.00 0.23 C HETATM 2904 O19 L A 0 13.017 12.764 25.677 1.00 -0.38 O HETATM 2905 C20 L A 0 13.128 10.839 24.258 1.00 0.15 C HETATM 2906 N21 L A 0 14.577 10.982 24.333 1.00 -0.20 N HETATM 2907 C30 L A 0 15.208 10.494 25.454 1.00 0.22 C HETATM 2908 C29 L A 0 16.704 10.550 25.479 1.00 0.10 C HETATM 2909 S28 L A 0 17.322 10.038 23.886 1.00 -0.09 S HETATM 2910 C27 L A 0 16.536 11.303 22.951 1.00 0.04 C HETATM 2911 C22 L A 0 15.227 11.668 23.279 1.00 0.08 C HETATM 2912 C23 L A 0 14.556 12.616 22.511 1.00 -0.05 C HETATM 2913 C24 L A 0 15.209 13.235 21.446 1.00 -0.08 C HETATM 2914 C25 L A 0 16.523 12.910 21.140 1.00 -0.08 C HETATM 2915 C26 L A 0 17.175 11.932 21.878 1.00 -0.06 C HETATM 2916 H18 L A 0 18.190 11.653 21.620 1.00 0.05 H HETATM 2917 H17 L A 0 17.036 13.416 20.331 1.00 0.05 H HETATM 2918 H11 L A 0 14.686 13.976 20.852 1.00 0.05 H HETATM 2919 H10 L A 0 13.528 12.872 22.741 1.00 0.05 H HETATM 2920 H19 L A 0 17.087 9.875 26.259 1.00 0.06 H HETATM 2921 H20 L A 0 17.032 11.578 25.690 1.00 0.06 H HETATM 2922 O31 L A 0 14.585 10.079 26.414 1.00 -0.38 O HETATM 2923 H15 L A 0 12.825 10.714 23.208 1.00 0.08 H HETATM 2924 H16 L A 0 12.815 9.958 24.837 1.00 0.08 H HETATM 2925 H14 L A 0 11.174 11.990 23.369 1.00 0.23 H HETATM 2926 C10 L A 0 10.856 15.406 23.745 1.00 -0.04 C HETATM 2927 C11 L A 0 11.643 14.931 22.707 1.00 -0.07 C HETATM 2928 C12 L A 0 12.386 15.801 21.934 1.00 -0.07 C HETATM 2929 C13 L A 0 12.351 17.151 22.211 1.00 -0.07 C HETATM 2930 C14 L A 0 11.560 17.640 23.232 1.00 -0.07 C HETATM 2931 C15 L A 0 10.785 16.770 23.973 1.00 -0.07 C HETATM 2932 H9 L A 0 10.119 17.156 24.736 1.00 0.05 H HETATM 2933 H13 L A 0 11.548 18.702 23.451 1.00 0.06 H HETATM 2934 H12 L A 0 12.950 17.835 21.622 1.00 0.05 H HETATM 2935 H8 L A 0 12.991 15.426 21.117 1.00 0.06 H HETATM 2936 H7 L A 0 11.675 13.867 22.500 1.00 0.05 H HETATM 2937 H6 L A 0 9.518 10.575 25.714 1.00 0.11 H HETATM 2938 H5 L A 0 7.349 10.205 26.778 1.00 0.05 H HETATM 2939 H4 L A 0 5.755 12.087 27.037 1.00 0.05 H HETATM 2940 H1 L A 0 5.174 14.331 26.864 1.00 0.04 H HETATM 2941 H2 L A 0 5.774 15.057 25.334 1.00 0.04 H HETATM 2942 H3 L A 0 6.530 15.509 26.900 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1079 1080 1084 1085 1086 CONECT 1084 1079 CONECT 1085 1079 CONECT 1086 1079 CONECT 2892 2893 2940 2941 2942 CONECT 2893 2892 2894 2898 CONECT 2894 2893 2895 2939 CONECT 2895 2894 2896 2938 CONECT 2896 2895 2897 2937 CONECT 2897 2896 2898 2901 CONECT 2898 2893 2897 2899 CONECT 2899 2898 2900 CONECT 2900 2899 2901 2926 CONECT 2901 2897 2900 2902 CONECT 2902 2901 2903 2925 CONECT 2903 2902 2904 2905 CONECT 2904 2903 CONECT 2905 2903 2906 2923 2924 CONECT 2906 2905 2907 2911 CONECT 2907 2906 2908 2922 CONECT 2908 2907 2909 2920 2921 CONECT 2909 2908 2910 CONECT 2910 2909 2911 2915 CONECT 2911 2906 2910 2912 CONECT 2912 2911 2913 2919 CONECT 2913 2912 2914 2918 CONECT 2914 2913 2915 2917 CONECT 2915 2910 2914 2916 CONECT 2916 2915 CONECT 2917 2914 CONECT 2918 2913 CONECT 2919 2912 CONECT 2920 2908 CONECT 2921 2908 CONECT 2922 2907 CONECT 2923 2905 CONECT 2924 2905 CONECT 2925 2902 CONECT 2926 2900 2927 2931 CONECT 2927 2926 2928 2936 CONECT 2928 2927 2929 2935 CONECT 2929 2928 2930 2934 CONECT 2930 2929 2931 2933 CONECT 2931 2926 2930 2932 CONECT 2932 2931 CONECT 2933 2930 CONECT 2934 2929 CONECT 2935 2928 CONECT 2936 2927 CONECT 2937 2896 CONECT 2938 2895 CONECT 2939 2894 CONECT 2940 2892 CONECT 2941 2892 CONECT 2942 2892 MASTER 0 0 0 0 0 0 0 0 2940 2 59 24 END
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Related entries of code: 6nsp
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
291aa, >4PMM_1|Chain... at 98%
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291aa, >4PMP_1|Chain... at 98%
4pms
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PDBbind
291aa, >4PMS_1|Chain... at 98%
4pmt
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PDBbind
291aa, >4PMT_1|Chain... at 98%
4yne
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PDBbind
303aa, >4YNE_1|Chain... at 97%
4yps
RCSB PDB
PDBbind
303aa, >4YPS_1|Chain... at 97%
5h3q
RCSB PDB
PDBbind
324aa, >5H3Q_1|Chain... *
5wr7
RCSB PDB
PDBbind
304aa, >5WR7_1|Chain... at 100%
6dkb
RCSB PDB
PDBbind
320aa, >6DKB_1|Chain... at 99%
6dkg
RCSB PDB
PDBbind
320aa, >6DKG_1|Chain... at 99%
6dki
RCSB PDB
PDBbind
320aa, >6DKI_1|Chain... at 99%
6pl3
RCSB PDB
PDBbind
311aa, >6PL3_1|Chain... at 100%
6pl2
RCSB PDB
PDBbind
311aa, >6PL2_1|Chain... at 100%
6pl1
RCSB PDB
PDBbind
311aa, >6PL1_1|Chain... at 100%
6nss
RCSB PDB
PDBbind
311aa, >6NSS_1|Chain... at 100%
6npt
RCSB PDB
PDBbind
305aa, >6NPT_1|Chain... at 100%
6j5l
RCSB PDB
PDBbind
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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
6nsp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
hTrkA kinase domain
Ligand Name
L0P
EC.Number
E.C.2.7.10.1
Resolution
2.31(Å)
Affinity (Kd/Ki/IC50)
IC50=44.1nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem.Biol. Vol. 14: pp. 1205-1216
Ligand Properties
Formula
C
2
4
H
2
0
N
4
O
2
S
Molecular Weight
428.506
Exact Mass
428.131
No. of atoms
51
No. of bonds
55
Polar Surface Area
92.01
LOGP Value
4.70 (
Computed with XLOGP3
)
4.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
O=C(Nc1c(nc2n1cccc2C)c1ccccc1)CN1C(=O)CSc2c1cccc2
InChI String
InChI=1S/C24H20N4O2S/c1-16-8-7-13-27-23(16)26-22(17-9-3-2-4-10-17)24(27)25-20(29)14-28-18-11-5-6-12-19(18)31-15-21(28)30/h2-13H,14-15H2,1H3,(H,25,29)
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):
P04629
Entrez Gene ID
NCBI Entrez Gene ID:
4914
ASD
Information of known allosteric effects of PDB entries
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