Browse entries in the PDBbind-CN Database
HEADER 6T1O_COMPLEX COMPND 6T1O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 GLN CYS THR VAL GLN VAL ARG LEU GLU LEU GLY HIS ARG SEQRES 2 A 141 ALA GLN LEU ARG LYS LYS PRO THR THR GLU GLY PHE THR SEQRES 3 A 141 HIS ASP TRP MET VAL PHE VAL ARG GLY PRO GLU GLN CYS SEQRES 4 A 141 ASP ILE GLN HIS PHE VAL GLU LYS VAL VAL PHE TRP LEU SEQRES 5 A 141 HIS ASP SER PHE PRO LYS PRO ARG ARG VAL CYS LYS GLU SEQRES 6 A 141 PRO PRO TYR LYS VAL GLU GLU SER GLY TYR ALA GLY PHE SEQRES 7 A 141 ILE MET PRO ILE GLU VAL HIS PHE LYS ASN LYS GLU GLU SEQRES 8 A 141 PRO ARG LYS VAL CYS PHE THR TYR ASP LEU PHE LEU ASN SEQRES 9 A 141 LEU GLU GLY ASN PRO PRO VAL ASN HIS LEU ARG CYS GLU SEQRES 10 A 141 LYS LEU THR PHE ASN ASN PRO THR THR GLU PHE ARG TYR SEQRES 11 A 141 LYS LEU LEU ARG ALA GLY GLY VAL MET VAL MET HET M A 82 48 ATOM 1 N GLN A 4 11.560 -30.858 12.289 1.00 65.09 N ATOM 2 CA GLN A 4 11.781 -30.046 11.062 1.00 63.17 C ATOM 3 C GLN A 4 10.423 -29.654 10.452 1.00 58.82 C ATOM 4 O GLN A 4 9.765 -30.522 9.881 1.00 56.38 O ATOM 5 CB GLN A 4 12.602 -30.844 10.045 1.00 69.09 C ATOM 6 CG GLN A 4 14.056 -31.048 10.449 1.00 72.96 C ATOM 7 CD GLN A 4 14.852 -29.769 10.329 1.00 72.82 C ATOM 8 OE1 GLN A 4 14.667 -28.985 9.402 1.00 70.49 O ATOM 9 NE2 GLN A 4 15.730 -29.539 11.288 1.00 70.78 N ATOM 10 HE22 GLN A 4 15.855 -30.230 12.055 1.00 0.00 H ATOM 11 HE21 GLN A 4 16.296 -28.667 11.276 1.00 0.00 H ATOM 12 HN3 GLN A 4 11.029 -31.718 12.043 1.00 0.00 H ATOM 13 HN2 GLN A 4 11.018 -30.300 12.979 1.00 0.00 H ATOM 14 HN1 GLN A 4 12.479 -31.121 12.699 1.00 0.00 H ATOM 15 N CYS A 5 10.039 -28.387 10.532 1.00 54.09 N ATOM 16 CA CYS A 5 9.019 -27.797 9.629 1.00 52.96 C ATOM 17 C CYS A 5 9.038 -26.272 9.684 1.00 50.58 C ATOM 18 O CYS A 5 9.513 -25.691 10.681 1.00 50.52 O ATOM 19 CB CYS A 5 7.619 -28.290 9.955 1.00 53.64 C ATOM 20 SG CYS A 5 6.899 -27.483 11.405 1.00 56.49 S ATOM 21 H CYS A 5 10.471 -27.781 11.258 1.00 0.00 H ATOM 22 N THR A 6 8.434 -25.667 8.683 1.00 44.38 N ATOM 23 CA THR A 6 8.253 -24.226 8.564 1.00 44.87 C ATOM 24 C THR A 6 6.748 -23.983 8.549 1.00 41.55 C ATOM 25 O THR A 6 6.045 -24.748 7.899 1.00 39.51 O ATOM 26 CB THR A 6 9.045 -23.736 7.345 1.00 47.86 C ATOM 27 OG1 THR A 6 10.433 -23.821 7.689 1.00 49.34 O ATOM 28 CG2 THR A 6 8.710 -22.335 6.922 1.00 47.79 C ATOM 29 HG1 THR A 6 10.612 -23.249 8.477 1.00 0.00 H ATOM 30 H THR A 6 8.057 -26.263 7.919 1.00 0.00 H ATOM 31 N VAL A 7 6.278 -23.006 9.297 1.00 37.88 N ATOM 32 CA VAL A 7 4.868 -22.542 9.229 1.00 38.21 C ATOM 33 C VAL A 7 4.858 -21.097 8.746 1.00 39.02 C ATOM 34 O VAL A 7 5.633 -20.259 9.305 1.00 36.18 O ATOM 35 CB VAL A 7 4.132 -22.700 10.557 1.00 37.15 C ATOM 36 CG1 VAL A 7 2.716 -22.144 10.460 1.00 39.57 C ATOM 37 CG2 VAL A 7 4.098 -24.148 11.012 1.00 37.87 C ATOM 38 H VAL A 7 6.923 -22.538 9.965 1.00 0.00 H ATOM 39 N GLN A 8 4.056 -20.831 7.713 1.00 38.55 N ATOM 40 CA GLN A 8 3.873 -19.484 7.134 1.00 39.40 C ATOM 41 C GLN A 8 2.506 -18.962 7.528 1.00 34.38 C ATOM 42 O GLN A 8 1.525 -19.704 7.374 1.00 31.71 O ATOM 43 CB GLN A 8 3.991 -19.523 5.614 1.00 43.49 C ATOM 44 CG GLN A 8 5.429 -19.468 5.131 1.00 49.44 C ATOM 45 CD GLN A 8 5.496 -19.170 3.656 1.00 53.79 C ATOM 46 OE1 GLN A 8 5.714 -18.036 3.246 1.00 63.15 O ATOM 47 NE2 GLN A 8 5.187 -20.163 2.855 1.00 51.60 N ATOM 48 HE22 GLN A 8 5.010 -21.110 3.246 1.00 0.00 H ATOM 49 HE21 GLN A 8 5.119 -20.002 1.830 1.00 0.00 H ATOM 50 H GLN A 8 3.527 -21.620 7.290 1.00 0.00 H ATOM 51 N VAL A 9 2.460 -17.727 8.008 1.00 33.60 N ATOM 52 CA VAL A 9 1.206 -16.990 8.293 1.00 30.09 C ATOM 53 C VAL A 9 1.296 -15.649 7.629 1.00 28.92 C ATOM 54 O VAL A 9 2.413 -15.192 7.380 1.00 29.50 O ATOM 55 CB VAL A 9 0.948 -16.844 9.803 1.00 30.18 C ATOM 56 CG1 VAL A 9 0.672 -18.172 10.416 1.00 32.40 C ATOM 57 CG2 VAL A 9 2.106 -16.130 10.527 1.00 30.71 C ATOM 58 H VAL A 9 3.362 -17.244 8.197 1.00 0.00 H ATOM 59 N ARG A 10 0.151 -15.024 7.408 1.00 30.89 N ATOM 60 CA ARG A 10 0.055 -13.739 6.697 1.00 32.54 C ATOM 61 C ARG A 10 -0.554 -12.677 7.612 1.00 30.75 C ATOM 62 O ARG A 10 -1.497 -12.966 8.302 1.00 29.57 O ATOM 63 CB ARG A 10 -0.722 -13.971 5.419 1.00 35.79 C ATOM 64 CG ARG A 10 0.050 -14.823 4.419 1.00 38.79 C ATOM 65 CD ARG A 10 -0.855 -15.682 3.570 1.00 45.26 C ATOM 66 NE ARG A 10 -1.834 -14.889 2.864 1.00 51.58 N ATOM 67 CZ ARG A 10 -3.151 -15.156 2.793 1.00 55.42 C ATOM 68 NH1 ARG A 10 -3.951 -14.355 2.097 1.00 53.89 N ATOM 69 NH2 ARG A 10 -3.658 -16.205 3.419 1.00 57.15 N ATOM 70 HE ARG A 10 -1.493 -14.040 2.369 1.00 0.00 H ATOM 71 HH12 ARG A 10 -4.969 -14.559 2.040 1.00 0.00 H ATOM 72 HH11 ARG A 10 -3.559 -13.524 1.609 1.00 0.00 H ATOM 73 HH22 ARG A 10 -4.677 -16.404 3.359 1.00 0.00 H ATOM 74 HH21 ARG A 10 -3.038 -16.831 3.971 1.00 0.00 H ATOM 75 H ARG A 10 -0.726 -15.463 7.754 1.00 0.00 H ATOM 76 N LEU A 11 0.023 -11.493 7.601 1.00 29.56 N ATOM 77 CA LEU A 11 -0.533 -10.299 8.225 1.00 30.67 C ATOM 78 C LEU A 11 -0.813 -9.291 7.123 1.00 30.02 C ATOM 79 O LEU A 11 -0.072 -9.257 6.160 1.00 30.63 O ATOM 80 CB LEU A 11 0.480 -9.743 9.218 1.00 30.86 C ATOM 81 CG LEU A 11 0.708 -10.548 10.479 1.00 30.08 C ATOM 82 CD1 LEU A 11 1.773 -9.886 11.312 1.00 31.42 C ATOM 83 CD2 LEU A 11 -0.559 -10.715 11.269 1.00 32.39 C ATOM 84 H LEU A 11 0.938 -11.404 7.114 1.00 0.00 H ATOM 85 N GLU A 12 -1.777 -8.435 7.356 1.00 28.66 N ATOM 86 CA GLU A 12 -2.068 -7.242 6.547 1.00 28.56 C ATOM 87 C GLU A 12 -1.988 -6.044 7.469 1.00 27.97 C ATOM 88 O GLU A 12 -2.778 -5.988 8.427 1.00 28.04 O ATOM 89 CB GLU A 12 -3.439 -7.390 5.893 1.00 29.44 C ATOM 90 CG GLU A 12 -3.450 -8.463 4.804 1.00 31.98 C ATOM 91 CD GLU A 12 -4.784 -8.806 4.210 1.00 33.92 C ATOM 92 OE1 GLU A 12 -5.731 -8.127 4.495 1.00 37.90 O ATOM 93 OE2 GLU A 12 -4.851 -9.793 3.493 1.00 39.08 O ATOM 94 H GLU A 12 -2.386 -8.614 8.180 1.00 0.00 H ATOM 95 N LEU A 13 -1.048 -5.156 7.216 1.00 26.84 N ATOM 96 CA LEU A 13 -1.024 -3.797 7.794 1.00 25.53 C ATOM 97 C LEU A 13 -1.681 -2.855 6.802 1.00 27.60 C ATOM 98 O LEU A 13 -1.456 -3.027 5.573 1.00 27.76 O ATOM 99 CB LEU A 13 0.416 -3.393 8.000 1.00 27.36 C ATOM 100 CG LEU A 13 1.107 -4.006 9.196 1.00 31.41 C ATOM 101 CD1 LEU A 13 1.205 -5.509 9.027 1.00 31.63 C ATOM 102 CD2 LEU A 13 2.477 -3.371 9.357 1.00 33.07 C ATOM 103 H LEU A 13 -0.278 -5.428 6.572 1.00 0.00 H ATOM 104 N GLY A 14 -2.364 -1.837 7.277 1.00 27.98 N ATOM 105 CA GLY A 14 -2.977 -0.851 6.371 1.00 26.94 C ATOM 106 C GLY A 14 -3.335 0.403 7.065 1.00 26.01 C ATOM 107 O GLY A 14 -3.314 0.453 8.318 1.00 24.98 O ATOM 108 H GLY A 14 -2.473 -1.727 8.305 1.00 0.00 H ATOM 109 N HIS A 15 -3.704 1.400 6.305 1.00 25.58 N ATOM 110 CA HIS A 15 -4.209 2.641 6.853 1.00 25.39 C ATOM 111 C HIS A 15 -5.181 3.243 5.888 1.00 27.66 C ATOM 112 O HIS A 15 -5.017 3.005 4.641 1.00 25.19 O ATOM 113 CB HIS A 15 -3.030 3.568 7.234 1.00 26.50 C ATOM 114 CG HIS A 15 -2.460 4.379 6.125 1.00 28.44 C ATOM 115 ND1 HIS A 15 -1.612 3.845 5.190 1.00 27.19 N ATOM 116 CD2 HIS A 15 -2.548 5.725 5.862 1.00 29.79 C ATOM 117 CE1 HIS A 15 -1.245 4.806 4.347 1.00 28.93 C ATOM 118 NE2 HIS A 15 -1.762 5.986 4.784 1.00 29.82 N ATOM 119 H HIS A 15 -3.632 1.298 5.272 1.00 0.00 H ATOM 120 N ARG A 16 -6.058 4.064 6.432 1.00 28.91 N ATOM 121 CA ARG A 16 -6.968 4.961 5.709 1.00 31.16 C ATOM 122 C ARG A 16 -6.731 6.387 6.190 1.00 30.20 C ATOM 123 O ARG A 16 -6.418 6.589 7.418 1.00 29.73 O ATOM 124 CB ARG A 16 -8.407 4.489 5.939 1.00 35.73 C ATOM 125 CG ARG A 16 -8.596 3.023 5.590 1.00 39.43 C ATOM 126 CD ARG A 16 -9.967 2.655 5.088 1.00 48.24 C ATOM 127 NE ARG A 16 -10.655 1.707 5.947 1.00 54.55 N ATOM 128 CZ ARG A 16 -10.520 0.383 5.898 1.00 58.66 C ATOM 129 NH1 ARG A 16 -11.205 -0.370 6.736 1.00 59.81 N ATOM 130 NH2 ARG A 16 -9.691 -0.185 5.041 1.00 61.61 N ATOM 131 HE ARG A 16 -11.307 2.094 6.659 1.00 0.00 H ATOM 132 HH12 ARG A 16 -11.106 -1.405 6.705 1.00 0.00 H ATOM 133 HH11 ARG A 16 -11.844 0.071 7.428 1.00 0.00 H ATOM 134 HH22 ARG A 16 -9.598 -1.221 5.016 1.00 0.00 H ATOM 135 HH21 ARG A 16 -9.131 0.403 4.391 1.00 0.00 H ATOM 136 H ARG A 16 -6.110 4.077 7.471 1.00 0.00 H ATOM 137 N ALA A 17 -6.808 7.338 5.291 1.00 29.87 N ATOM 138 CA ALA A 17 -6.744 8.775 5.620 1.00 30.18 C ATOM 139 C ALA A 17 -7.690 9.566 4.718 1.00 32.29 C ATOM 140 O ALA A 17 -7.797 9.235 3.508 1.00 31.51 O ATOM 141 CB ALA A 17 -5.327 9.267 5.487 1.00 29.79 C ATOM 142 H ALA A 17 -6.920 7.065 4.294 1.00 0.00 H ATOM 143 N GLN A 18 -8.294 10.598 5.269 1.00 33.15 N ATOM 144 CA GLN A 18 -9.173 11.532 4.517 1.00 37.25 C ATOM 145 C GLN A 18 -9.225 12.870 5.259 1.00 36.75 C ATOM 146 O GLN A 18 -8.924 12.906 6.485 1.00 36.87 O ATOM 147 CB GLN A 18 -10.571 10.944 4.353 1.00 39.75 C ATOM 148 CG GLN A 18 -11.244 10.678 5.682 1.00 43.86 C ATOM 149 CD GLN A 18 -12.629 10.106 5.538 1.00 47.35 C ATOM 150 OE1 GLN A 18 -12.950 9.446 4.555 1.00 50.04 O ATOM 151 NE2 GLN A 18 -13.460 10.355 6.536 1.00 45.71 N ATOM 152 HE22 GLN A 18 -13.142 10.920 7.349 1.00 0.00 H ATOM 153 HE21 GLN A 18 -14.432 9.986 6.508 1.00 0.00 H ATOM 154 H GLN A 18 -8.148 10.769 6.284 1.00 0.00 H ATOM 155 N LEU A 19 -9.634 13.916 4.565 1.00 39.24 N ATOM 156 CA LEU A 19 -9.805 15.286 5.134 1.00 41.72 C ATOM 157 C LEU A 19 -10.813 15.242 6.266 1.00 43.20 C ATOM 158 O LEU A 19 -11.830 14.547 6.150 1.00 46.00 O ATOM 159 CB LEU A 19 -10.244 16.256 4.033 1.00 44.37 C ATOM 160 CG LEU A 19 -9.118 16.784 3.135 1.00 46.34 C ATOM 161 CD1 LEU A 19 -9.624 17.911 2.232 1.00 49.55 C ATOM 162 CD2 LEU A 19 -7.932 17.283 3.954 1.00 46.24 C ATOM 163 H LEU A 19 -9.851 13.777 3.557 1.00 0.00 H ATOM 164 N ARG A 20 -10.502 15.922 7.353 1.00 45.97 N ATOM 165 CA ARG A 20 -11.430 16.152 8.480 1.00 45.49 C ATOM 166 C ARG A 20 -12.342 17.300 8.078 1.00 48.21 C ATOM 167 O ARG A 20 -11.820 18.256 7.511 1.00 48.69 O ATOM 168 CB ARG A 20 -10.605 16.475 9.722 1.00 44.71 C ATOM 169 CG ARG A 20 -11.363 16.365 11.020 1.00 48.42 C ATOM 170 CD ARG A 20 -10.391 16.231 12.173 1.00 49.01 C ATOM 171 NE ARG A 20 -11.023 16.666 13.390 1.00 48.73 N ATOM 172 CZ ARG A 20 -11.742 15.891 14.195 1.00 51.10 C ATOM 173 NH1 ARG A 20 -11.886 14.595 13.946 1.00 47.79 N ATOM 174 NH2 ARG A 20 -12.314 16.423 15.260 1.00 52.97 N ATOM 175 HE ARG A 20 -10.908 17.664 13.660 1.00 0.00 H ATOM 176 HH12 ARG A 20 -12.452 14.002 14.586 1.00 0.00 H ATOM 177 HH11 ARG A 20 -11.433 14.172 13.111 1.00 0.00 H ATOM 178 HH22 ARG A 20 -12.879 15.828 15.898 1.00 0.00 H ATOM 179 HH21 ARG A 20 -12.199 17.437 15.460 1.00 0.00 H ATOM 180 H ARG A 20 -9.544 16.321 7.421 1.00 0.00 H ATOM 181 N LYS A 21 -13.659 17.155 8.263 1.00 51.95 N ATOM 182 CA LYS A 21 -14.637 18.257 8.109 1.00 54.59 C ATOM 183 C LYS A 21 -14.956 18.815 9.494 1.00 56.38 C ATOM 184 O LYS A 21 -15.841 18.262 10.168 1.00 59.96 O ATOM 185 CB LYS A 21 -15.881 17.785 7.356 1.00 59.94 C ATOM 186 CG LYS A 21 -15.793 17.968 5.847 1.00 69.06 C ATOM 187 CD LYS A 21 -16.961 17.413 5.068 1.00 70.70 C ATOM 188 CE LYS A 21 -16.687 17.397 3.578 1.00 78.52 C ATOM 189 NZ LYS A 21 -17.644 16.528 2.850 1.00 83.94 N ATOM 190 HZ1 LYS A 21 -17.567 15.554 3.207 1.00 0.00 H ATOM 191 HZ2 LYS A 21 -18.612 16.878 3.000 1.00 0.00 H ATOM 192 HZ3 LYS A 21 -17.422 16.545 1.834 1.00 0.00 H ATOM 193 H LYS A 21 -14.016 16.216 8.530 1.00 0.00 H ATOM 194 N LYS A 22 -14.234 19.864 9.901 1.00 56.12 N ATOM 195 CA LYS A 22 -14.389 20.522 11.224 1.00 54.86 C ATOM 196 C LYS A 22 -14.111 22.013 11.066 1.00 50.42 C ATOM 197 O LYS A 22 -13.757 22.470 9.975 1.00 50.82 O ATOM 198 CB LYS A 22 -13.470 19.848 12.248 1.00 58.43 C ATOM 199 CG LYS A 22 -13.865 18.425 12.619 1.00 63.55 C ATOM 200 CD LYS A 22 -15.288 18.286 13.188 1.00 64.20 C ATOM 201 CE LYS A 22 -15.364 18.533 14.680 1.00 68.34 C ATOM 202 NZ LYS A 22 -16.269 17.559 15.346 1.00 71.45 N ATOM 203 HZ1 LYS A 22 -17.225 17.648 14.947 1.00 0.00 H ATOM 204 HZ2 LYS A 22 -15.914 16.594 15.188 1.00 0.00 H ATOM 205 HZ3 LYS A 22 -16.298 17.757 16.367 1.00 0.00 H ATOM 206 H LYS A 22 -13.518 20.244 9.250 1.00 0.00 H ATOM 207 N PRO A 23 -14.253 22.822 12.144 1.00 44.32 N ATOM 208 CA PRO A 23 -14.005 24.268 12.060 1.00 44.31 C ATOM 209 C PRO A 23 -12.608 24.621 11.531 1.00 44.60 C ATOM 210 O PRO A 23 -11.671 23.872 11.774 1.00 43.55 O ATOM 211 CB PRO A 23 -14.166 24.750 13.534 1.00 43.68 C ATOM 212 CG PRO A 23 -15.074 23.703 14.161 1.00 40.83 C ATOM 213 CD PRO A 23 -14.665 22.399 13.496 1.00 42.26 C ATOM 214 N THR A 24 -12.492 25.753 10.836 1.00 47.05 N ATOM 215 CA THR A 24 -11.204 26.269 10.288 1.00 49.92 C ATOM 216 C THR A 24 -10.157 26.316 11.415 1.00 54.29 C ATOM 217 O THR A 24 -8.952 26.101 11.100 1.00 55.27 O ATOM 218 CB THR A 24 -11.405 27.625 9.592 1.00 51.81 C ATOM 219 OG1 THR A 24 -12.061 28.551 10.479 1.00 49.03 O ATOM 220 CG2 THR A 24 -12.201 27.480 8.305 1.00 52.75 C ATOM 221 HG1 THR A 24 -11.505 28.682 11.288 1.00 0.00 H ATOM 222 H THR A 24 -13.353 26.311 10.665 1.00 0.00 H ATOM 223 N THR A 25 -10.611 26.533 12.678 1.00 53.65 N ATOM 224 CA THR A 25 -9.771 26.869 13.870 1.00 54.81 C ATOM 225 C THR A 25 -9.400 25.596 14.643 1.00 56.56 C ATOM 226 O THR A 25 -8.814 25.725 15.736 1.00 53.23 O ATOM 227 CB THR A 25 -10.478 27.859 14.811 1.00 55.05 C ATOM 228 OG1 THR A 25 -11.779 27.349 15.142 1.00 53.14 O ATOM 229 CG2 THR A 25 -10.587 29.254 14.224 1.00 54.73 C ATOM 230 HG1 THR A 25 -12.237 27.984 15.748 1.00 0.00 H ATOM 231 H THR A 25 -11.637 26.459 12.830 1.00 0.00 H ATOM 232 N GLU A 26 -9.779 24.421 14.134 1.00 54.40 N ATOM 233 CA GLU A 26 -9.193 23.131 14.553 1.00 55.02 C ATOM 234 C GLU A 26 -8.034 22.787 13.612 1.00 52.34 C ATOM 235 O GLU A 26 -8.280 22.724 12.382 1.00 55.73 O ATOM 236 CB GLU A 26 -10.265 22.056 14.539 1.00 55.66 C ATOM 237 CG GLU A 26 -9.839 20.803 15.236 1.00 56.05 C ATOM 238 CD GLU A 26 -10.330 19.567 14.543 1.00 54.98 C ATOM 239 OE1 GLU A 26 -10.348 19.569 13.287 1.00 58.34 O ATOM 240 OE2 GLU A 26 -10.721 18.625 15.245 1.00 51.22 O ATOM 241 H GLU A 26 -10.523 24.414 13.407 1.00 0.00 H ATOM 242 N GLY A 27 -6.848 22.585 14.167 1.00 51.94 N ATOM 243 CA GLY A 27 -5.585 22.424 13.428 1.00 47.77 C ATOM 244 C GLY A 27 -5.527 21.107 12.668 1.00 44.12 C ATOM 245 O GLY A 27 -4.920 21.073 11.598 1.00 41.47 O ATOM 246 H GLY A 27 -6.806 22.536 15.205 1.00 0.00 H ATOM 247 N PHE A 28 -6.179 20.067 13.163 1.00 41.35 N ATOM 248 CA PHE A 28 -6.135 18.714 12.540 1.00 38.48 C ATOM 249 C PHE A 28 -6.886 18.736 11.202 1.00 39.13 C ATOM 250 O PHE A 28 -8.116 18.938 11.171 1.00 42.47 O ATOM 251 CB PHE A 28 -6.668 17.646 13.501 1.00 38.06 C ATOM 252 CG PHE A 28 -6.035 17.702 14.873 1.00 38.37 C ATOM 253 CD1 PHE A 28 -4.666 17.552 15.022 1.00 39.21 C ATOM 254 CD2 PHE A 28 -6.809 17.907 16.009 1.00 40.27 C ATOM 255 CE1 PHE A 28 -4.075 17.639 16.270 1.00 41.39 C ATOM 256 CE2 PHE A 28 -6.222 17.963 17.267 1.00 41.04 C ATOM 257 CZ PHE A 28 -4.860 17.835 17.397 1.00 41.52 C ATOM 258 H PHE A 28 -6.747 20.200 14.024 1.00 0.00 H ATOM 259 N THR A 29 -6.176 18.412 10.126 1.00 34.95 N ATOM 260 CA THR A 29 -6.697 18.449 8.748 1.00 34.90 C ATOM 261 C THR A 29 -7.268 17.086 8.365 1.00 34.44 C ATOM 262 O THR A 29 -8.061 17.036 7.415 1.00 34.63 O ATOM 263 CB THR A 29 -5.609 18.903 7.788 1.00 35.57 C ATOM 264 OG1 THR A 29 -4.488 18.033 7.951 1.00 36.17 O ATOM 265 CG2 THR A 29 -5.193 20.332 8.037 1.00 35.77 C ATOM 266 HG1 THR A 29 -4.760 17.104 7.746 1.00 0.00 H ATOM 267 H THR A 29 -5.190 18.113 10.266 1.00 0.00 H ATOM 268 N HIS A 30 -6.817 16.013 9.007 1.00 33.68 N ATOM 269 CA HIS A 30 -7.059 14.619 8.534 1.00 33.90 C ATOM 270 C HIS A 30 -7.564 13.754 9.674 1.00 31.65 C ATOM 271 O HIS A 30 -7.132 13.962 10.838 1.00 30.22 O ATOM 272 CB HIS A 30 -5.798 14.039 7.894 1.00 34.20 C ATOM 273 CG HIS A 30 -5.495 14.574 6.528 1.00 35.64 C ATOM 274 ND1 HIS A 30 -4.794 15.761 6.321 1.00 37.13 N ATOM 275 CD2 HIS A 30 -5.738 14.070 5.302 1.00 36.79 C ATOM 276 CE1 HIS A 30 -4.690 15.978 5.015 1.00 36.85 C ATOM 277 NE2 HIS A 30 -5.220 14.941 4.378 1.00 35.03 N ATOM 278 H HIS A 30 -6.270 16.152 9.880 1.00 0.00 H ATOM 279 N ASP A 31 -8.454 12.828 9.337 1.00 34.65 N ATOM 280 CA ASP A 31 -8.737 11.592 10.110 1.00 33.67 C ATOM 281 C ASP A 31 -7.954 10.440 9.498 1.00 31.09 C ATOM 282 O ASP A 31 -7.915 10.304 8.230 1.00 28.23 O ATOM 283 CB ASP A 31 -10.221 11.249 10.139 1.00 36.48 C ATOM 284 CG ASP A 31 -11.067 12.314 10.817 1.00 39.65 C ATOM 285 OD1 ASP A 31 -10.686 12.774 11.943 1.00 35.63 O ATOM 286 OD2 ASP A 31 -12.041 12.723 10.194 1.00 45.18 O ATOM 287 H ASP A 31 -8.996 12.980 8.462 1.00 0.00 H ATOM 288 N TRP A 32 -7.344 9.639 10.332 1.00 28.28 N ATOM 289 CA TRP A 32 -6.698 8.409 9.827 1.00 30.37 C ATOM 290 C TRP A 32 -6.936 7.249 10.763 1.00 29.27 C ATOM 291 O TRP A 32 -7.337 7.452 11.972 1.00 29.82 O ATOM 292 CB TRP A 32 -5.206 8.621 9.543 1.00 29.08 C ATOM 293 CG TRP A 32 -4.389 9.111 10.697 1.00 28.11 C ATOM 294 CD1 TRP A 32 -3.816 10.351 10.828 1.00 28.12 C ATOM 295 CD2 TRP A 32 -3.867 8.318 11.774 1.00 28.19 C ATOM 296 NE1 TRP A 32 -3.063 10.398 11.963 1.00 28.66 N ATOM 297 CE2 TRP A 32 -3.026 9.155 12.526 1.00 28.40 C ATOM 298 CE3 TRP A 32 -4.000 6.971 12.152 1.00 28.69 C ATOM 299 CZ2 TRP A 32 -2.396 8.717 13.686 1.00 29.96 C ATOM 300 CZ3 TRP A 32 -3.415 6.555 13.320 1.00 29.30 C ATOM 301 CH2 TRP A 32 -2.576 7.400 14.043 1.00 30.08 C ATOM 302 HE1 TRP A 32 -2.592 11.245 12.340 1.00 0.00 H ATOM 303 H TRP A 32 -7.313 9.866 11.346 1.00 0.00 H ATOM 304 N MET A 33 -6.717 6.090 10.228 1.00 29.17 N ATOM 305 CA MET A 33 -6.922 4.800 10.909 1.00 30.46 C ATOM 306 C MET A 33 -5.829 3.881 10.413 1.00 28.70 C ATOM 307 O MET A 33 -5.643 3.792 9.159 1.00 24.56 O ATOM 308 CB MET A 33 -8.316 4.247 10.571 1.00 33.30 C ATOM 309 CG MET A 33 -8.743 3.090 11.432 1.00 38.53 C ATOM 310 SD MET A 33 -8.304 1.502 10.703 1.00 41.28 S ATOM 311 CE MET A 33 -9.414 1.464 9.296 1.00 41.10 C ATOM 312 H MET A 33 -6.372 6.069 9.247 1.00 0.00 H ATOM 313 N VAL A 34 -5.058 3.309 11.324 1.00 26.50 N ATOM 314 CA VAL A 34 -4.035 2.303 10.975 1.00 27.23 C ATOM 315 C VAL A 34 -4.469 0.970 11.578 1.00 27.87 C ATOM 316 O VAL A 34 -5.126 0.985 12.649 1.00 27.14 O ATOM 317 CB VAL A 34 -2.638 2.723 11.433 1.00 25.84 C ATOM 318 CG1 VAL A 34 -2.543 2.746 12.954 1.00 27.32 C ATOM 319 CG2 VAL A 34 -1.557 1.851 10.819 1.00 25.66 C ATOM 320 H VAL A 34 -5.177 3.578 12.322 1.00 0.00 H ATOM 321 N PHE A 35 -4.124 -0.151 10.947 1.00 24.94 N ATOM 322 CA PHE A 35 -4.526 -1.466 11.494 1.00 26.08 C ATOM 323 C PHE A 35 -3.502 -2.551 11.172 1.00 25.92 C ATOM 324 O PHE A 35 -2.701 -2.415 10.220 1.00 24.78 O ATOM 325 CB PHE A 35 -5.928 -1.815 11.001 1.00 25.47 C ATOM 326 CG PHE A 35 -6.023 -1.894 9.501 1.00 25.25 C ATOM 327 CD1 PHE A 35 -5.670 -3.048 8.852 1.00 25.34 C ATOM 328 CD2 PHE A 35 -6.400 -0.803 8.753 1.00 26.97 C ATOM 329 CE1 PHE A 35 -5.692 -3.119 7.472 1.00 26.05 C ATOM 330 CE2 PHE A 35 -6.468 -0.888 7.365 1.00 26.30 C ATOM 331 CZ PHE A 35 -6.092 -2.028 6.739 1.00 26.28 C ATOM 332 H PHE A 35 -3.571 -0.102 10.068 1.00 0.00 H ATOM 333 N VAL A 36 -3.657 -3.659 11.887 1.00 25.16 N ATOM 334 CA VAL A 36 -3.099 -4.993 11.584 1.00 25.15 C ATOM 335 C VAL A 36 -4.252 -6.016 11.640 1.00 24.93 C ATOM 336 O VAL A 36 -4.983 -6.009 12.606 1.00 24.91 O ATOM 337 CB VAL A 36 -1.978 -5.366 12.579 1.00 23.98 C ATOM 338 CG1 VAL A 36 -1.448 -6.748 12.301 1.00 23.99 C ATOM 339 CG2 VAL A 36 -0.855 -4.339 12.591 1.00 23.60 C ATOM 340 H VAL A 36 -4.231 -3.580 12.750 1.00 0.00 H ATOM 341 N ARG A 37 -4.431 -6.810 10.598 1.00 22.86 N ATOM 342 CA ARG A 37 -5.472 -7.852 10.523 1.00 24.78 C ATOM 343 C ARG A 37 -4.874 -9.087 9.845 1.00 26.02 C ATOM 344 O ARG A 37 -3.727 -9.008 9.340 1.00 27.19 O ATOM 345 CB ARG A 37 -6.718 -7.312 9.824 1.00 25.39 C ATOM 346 CG ARG A 37 -6.507 -7.050 8.339 1.00 26.16 C ATOM 347 CD ARG A 37 -7.677 -6.357 7.673 1.00 27.78 C ATOM 348 NE ARG A 37 -7.415 -6.422 6.248 1.00 30.72 N ATOM 349 CZ ARG A 37 -8.021 -5.716 5.329 1.00 33.56 C ATOM 350 NH1 ARG A 37 -8.950 -4.837 5.668 1.00 32.93 N ATOM 351 NH2 ARG A 37 -7.699 -5.901 4.052 1.00 35.74 N ATOM 352 HE ARG A 37 -6.682 -7.087 5.930 1.00 0.00 H ATOM 353 HH12 ARG A 37 -9.429 -4.278 4.934 1.00 0.00 H ATOM 354 HH11 ARG A 37 -9.201 -4.705 6.669 1.00 0.00 H ATOM 355 HH22 ARG A 37 -8.173 -5.347 3.311 1.00 0.00 H ATOM 356 HH21 ARG A 37 -6.973 -6.600 3.795 1.00 0.00 H ATOM 357 H ARG A 37 -3.799 -6.692 9.781 1.00 0.00 H ATOM 358 N GLY A 38 -5.606 -10.181 9.881 1.00 28.98 N ATOM 359 CA GLY A 38 -5.371 -11.367 9.065 1.00 28.53 C ATOM 360 C GLY A 38 -6.120 -11.268 7.754 1.00 30.84 C ATOM 361 O GLY A 38 -7.029 -10.431 7.597 1.00 28.38 O ATOM 362 H GLY A 38 -6.411 -10.201 10.540 1.00 0.00 H ATOM 363 N PRO A 39 -5.786 -12.134 6.788 1.00 33.26 N ATOM 364 CA PRO A 39 -6.664 -12.395 5.645 1.00 36.12 C ATOM 365 C PRO A 39 -8.037 -12.916 6.101 1.00 38.73 C ATOM 366 O PRO A 39 -8.190 -13.287 7.288 1.00 37.48 O ATOM 367 CB PRO A 39 -5.925 -13.478 4.842 1.00 38.60 C ATOM 368 CG PRO A 39 -4.505 -13.463 5.360 1.00 36.46 C ATOM 369 CD PRO A 39 -4.607 -12.996 6.801 1.00 34.75 C ATOM 370 N GLU A 40 -9.040 -12.839 5.220 1.00 43.00 N ATOM 371 CA GLU A 40 -10.426 -13.309 5.510 1.00 47.48 C ATOM 372 C GLU A 40 -10.368 -14.762 5.989 1.00 44.74 C ATOM 373 O GLU A 40 -9.507 -15.518 5.499 1.00 48.39 O ATOM 374 CB GLU A 40 -11.316 -13.226 4.273 1.00 54.53 C ATOM 375 CG GLU A 40 -11.614 -11.817 3.829 1.00 61.16 C ATOM 376 CD GLU A 40 -12.634 -11.099 4.689 1.00 67.53 C ATOM 377 OE1 GLU A 40 -13.508 -11.793 5.281 1.00 74.67 O ATOM 378 OE2 GLU A 40 -12.560 -9.852 4.770 1.00 68.83 O ATOM 379 H GLU A 40 -8.844 -12.430 4.284 1.00 0.00 H ATOM 380 N GLN A 41 -11.202 -15.126 6.948 1.00 46.26 N ATOM 381 CA GLN A 41 -11.357 -16.530 7.380 1.00 50.85 C ATOM 382 C GLN A 41 -10.073 -16.995 8.094 1.00 48.02 C ATOM 383 O GLN A 41 -9.916 -18.207 8.258 1.00 47.76 O ATOM 384 CB GLN A 41 -11.592 -17.436 6.162 1.00 57.45 C ATOM 385 CG GLN A 41 -12.729 -16.992 5.247 1.00 61.68 C ATOM 386 CD GLN A 41 -13.958 -17.839 5.464 1.00 67.81 C ATOM 387 OE1 GLN A 41 -14.218 -18.302 6.574 1.00 75.37 O ATOM 388 NE2 GLN A 41 -14.708 -18.082 4.394 1.00 68.78 N ATOM 389 HE22 GLN A 41 -14.451 -17.670 3.474 1.00 0.00 H ATOM 390 HE21 GLN A 41 -15.552 -18.684 4.476 1.00 0.00 H ATOM 391 H GLN A 41 -11.772 -14.394 7.417 1.00 0.00 H ATOM 392 N CYS A 42 -9.147 -16.080 8.410 1.00 43.66 N ATOM 393 CA CYS A 42 -7.994 -16.347 9.326 1.00 41.26 C ATOM 394 C CYS A 42 -8.186 -15.556 10.609 1.00 39.48 C ATOM 395 O CYS A 42 -8.750 -14.457 10.549 1.00 44.90 O ATOM 396 CB CYS A 42 -6.669 -15.963 8.710 1.00 39.44 C ATOM 397 SG CYS A 42 -6.296 -16.874 7.201 1.00 42.38 S ATOM 398 H CYS A 42 -9.234 -15.130 7.995 1.00 0.00 H ATOM 399 N ASP A 43 -7.710 -16.074 11.718 1.00 39.29 N ATOM 400 CA ASP A 43 -7.916 -15.437 13.050 1.00 35.43 C ATOM 401 C ASP A 43 -6.561 -15.299 13.751 1.00 33.02 C ATOM 402 O ASP A 43 -6.174 -16.217 14.478 1.00 32.36 O ATOM 403 CB ASP A 43 -8.900 -16.230 13.867 1.00 37.29 C ATOM 404 CG ASP A 43 -9.090 -15.693 15.272 1.00 38.43 C ATOM 405 OD1 ASP A 43 -8.491 -14.622 15.597 1.00 40.67 O ATOM 406 OD2 ASP A 43 -9.824 -16.322 16.011 1.00 36.57 O ATOM 407 H ASP A 43 -7.170 -16.961 11.665 1.00 0.00 H ATOM 408 N ILE A 44 -5.857 -14.196 13.495 1.00 30.55 N ATOM 409 CA ILE A 44 -4.439 -14.011 13.923 1.00 29.29 C ATOM 410 C ILE A 44 -4.395 -13.897 15.454 1.00 29.67 C ATOM 411 O ILE A 44 -3.319 -13.955 15.983 1.00 29.27 O ATOM 412 CB ILE A 44 -3.808 -12.797 13.232 1.00 28.49 C ATOM 413 CG1 ILE A 44 -4.494 -11.479 13.650 1.00 27.46 C ATOM 414 CG2 ILE A 44 -3.838 -12.996 11.711 1.00 29.05 C ATOM 415 CD1 ILE A 44 -3.745 -10.257 13.281 1.00 26.49 C ATOM 416 H ILE A 44 -6.319 -13.426 12.971 1.00 0.00 H ATOM 417 N GLN A 45 -5.536 -13.707 16.114 1.00 28.58 N ATOM 418 CA GLN A 45 -5.575 -13.618 17.591 1.00 29.90 C ATOM 419 C GLN A 45 -5.030 -14.898 18.195 1.00 31.11 C ATOM 420 O GLN A 45 -4.523 -14.822 19.296 1.00 32.43 O ATOM 421 CB GLN A 45 -6.972 -13.317 18.116 1.00 31.15 C ATOM 422 CG GLN A 45 -7.042 -13.323 19.636 1.00 33.82 C ATOM 423 CD GLN A 45 -8.351 -12.798 20.148 1.00 37.02 C ATOM 424 OE1 GLN A 45 -9.386 -12.927 19.493 1.00 40.11 O ATOM 425 NE2 GLN A 45 -8.316 -12.200 21.334 1.00 37.62 N ATOM 426 HE22 GLN A 45 -7.416 -12.116 21.848 1.00 0.00 H ATOM 427 HE21 GLN A 45 -9.189 -11.816 21.749 1.00 0.00 H ATOM 428 H GLN A 45 -6.423 -13.619 15.578 1.00 0.00 H ATOM 429 N HIS A 46 -5.111 -16.041 17.486 1.00 32.23 N ATOM 430 CA HIS A 46 -4.548 -17.323 17.981 1.00 33.72 C ATOM 431 C HIS A 46 -3.034 -17.236 18.194 1.00 32.83 C ATOM 432 O HIS A 46 -2.577 -17.947 19.068 1.00 33.75 O ATOM 433 CB HIS A 46 -4.950 -18.492 17.114 1.00 37.49 C ATOM 434 CG HIS A 46 -6.314 -18.958 17.443 1.00 39.94 C ATOM 435 ND1 HIS A 46 -7.369 -18.753 16.598 1.00 39.31 N ATOM 436 CD2 HIS A 46 -6.811 -19.507 18.574 1.00 40.89 C ATOM 437 CE1 HIS A 46 -8.466 -19.204 17.163 1.00 43.23 C ATOM 438 NE2 HIS A 46 -8.144 -19.676 18.377 1.00 45.73 N ATOM 439 H HIS A 46 -5.584 -16.025 16.560 1.00 0.00 H ATOM 440 N PHE A 47 -2.285 -16.392 17.465 1.00 29.83 N ATOM 441 CA PHE A 47 -0.799 -16.358 17.607 1.00 28.86 C ATOM 442 C PHE A 47 -0.307 -14.959 17.979 1.00 28.40 C ATOM 443 O PHE A 47 0.861 -14.844 18.347 1.00 30.81 O ATOM 444 CB PHE A 47 -0.111 -16.908 16.357 1.00 29.57 C ATOM 445 CG PHE A 47 -0.012 -15.954 15.203 1.00 29.71 C ATOM 446 CD1 PHE A 47 1.090 -15.114 15.063 1.00 31.63 C ATOM 447 CD2 PHE A 47 -0.975 -15.937 14.213 1.00 30.50 C ATOM 448 CE1 PHE A 47 1.194 -14.264 13.970 1.00 30.69 C ATOM 449 CE2 PHE A 47 -0.871 -15.077 13.134 1.00 30.49 C ATOM 450 CZ PHE A 47 0.195 -14.225 13.034 1.00 30.86 C ATOM 451 H PHE A 47 -2.748 -15.751 16.790 1.00 0.00 H ATOM 452 N VAL A 48 -1.163 -13.946 17.888 1.00 26.83 N ATOM 453 CA VAL A 48 -0.836 -12.543 18.256 1.00 26.53 C ATOM 454 C VAL A 48 -1.263 -12.274 19.723 1.00 25.35 C ATOM 455 O VAL A 48 -2.448 -12.316 20.036 1.00 26.44 O ATOM 456 CB VAL A 48 -1.431 -11.558 17.251 1.00 26.20 C ATOM 457 CG1 VAL A 48 -1.203 -10.102 17.649 1.00 27.68 C ATOM 458 CG2 VAL A 48 -0.878 -11.808 15.844 1.00 26.00 C ATOM 459 H VAL A 48 -2.121 -14.147 17.538 1.00 0.00 H ATOM 460 N GLU A 49 -0.293 -12.013 20.571 1.00 28.75 N ATOM 461 CA GLU A 49 -0.496 -11.577 21.987 1.00 30.58 C ATOM 462 C GLU A 49 -1.051 -10.145 21.980 1.00 29.13 C ATOM 463 O GLU A 49 -2.063 -9.905 22.625 1.00 27.53 O ATOM 464 CB GLU A 49 0.823 -11.710 22.744 1.00 34.34 C ATOM 465 CG GLU A 49 0.789 -11.236 24.188 1.00 41.54 C ATOM 466 CD GLU A 49 2.175 -11.284 24.815 1.00 46.00 C ATOM 467 OE1 GLU A 49 2.579 -12.376 25.251 1.00 54.46 O ATOM 468 OE2 GLU A 49 2.914 -10.285 24.683 1.00 53.81 O ATOM 469 H GLU A 49 0.685 -12.117 20.233 1.00 0.00 H ATOM 470 N LYS A 50 -0.460 -9.251 21.195 1.00 27.24 N ATOM 471 CA LYS A 50 -0.853 -7.820 21.182 1.00 28.17 C ATOM 472 C LYS A 50 -0.193 -7.126 20.027 1.00 26.41 C ATOM 473 O LYS A 50 0.861 -7.587 19.598 1.00 29.47 O ATOM 474 CB LYS A 50 -0.482 -7.094 22.488 1.00 28.98 C ATOM 475 CG LYS A 50 1.017 -7.007 22.775 1.00 32.76 C ATOM 476 CD LYS A 50 1.337 -6.470 24.155 1.00 35.33 C ATOM 477 CE LYS A 50 2.817 -6.477 24.474 1.00 36.97 C ATOM 478 NZ LYS A 50 3.037 -6.174 25.916 1.00 39.48 N ATOM 479 HZ1 LYS A 50 2.646 -5.235 26.135 1.00 0.00 H ATOM 480 HZ2 LYS A 50 2.561 -6.893 26.497 1.00 0.00 H ATOM 481 HZ3 LYS A 50 4.057 -6.182 26.119 1.00 0.00 H ATOM 482 H LYS A 50 0.306 -9.566 20.566 1.00 0.00 H ATOM 483 N VAL A 51 -0.720 -5.965 19.668 1.00 27.11 N ATOM 484 CA VAL A 51 -0.084 -5.048 18.688 1.00 27.54 C ATOM 485 C VAL A 51 0.087 -3.693 19.341 1.00 26.95 C ATOM 486 O VAL A 51 -0.852 -3.232 19.966 1.00 30.35 O ATOM 487 CB VAL A 51 -0.906 -4.930 17.412 1.00 25.36 C ATOM 488 CG1 VAL A 51 -0.300 -3.898 16.477 1.00 25.41 C ATOM 489 CG2 VAL A 51 -1.039 -6.271 16.752 1.00 25.20 C ATOM 490 H VAL A 51 -1.625 -5.681 20.094 1.00 0.00 H ATOM 491 N VAL A 52 1.287 -3.154 19.245 1.00 26.94 N ATOM 492 CA VAL A 52 1.668 -1.829 19.755 1.00 29.12 C ATOM 493 C VAL A 52 1.944 -0.928 18.589 1.00 27.15 C ATOM 494 O VAL A 52 2.805 -1.256 17.783 1.00 27.95 O ATOM 495 CB VAL A 52 2.866 -1.910 20.718 1.00 31.37 C ATOM 496 CG1 VAL A 52 3.213 -0.538 21.256 1.00 33.01 C ATOM 497 CG2 VAL A 52 2.591 -2.899 21.863 1.00 32.05 C ATOM 498 H VAL A 52 2.024 -3.712 18.769 1.00 0.00 H ATOM 499 N PHE A 53 1.173 0.151 18.482 1.00 26.63 N ATOM 500 CA PHE A 53 1.391 1.230 17.512 1.00 26.13 C ATOM 501 C PHE A 53 2.087 2.378 18.224 1.00 28.60 C ATOM 502 O PHE A 53 1.533 2.887 19.247 1.00 29.33 O ATOM 503 CB PHE A 53 0.053 1.671 16.916 1.00 27.77 C ATOM 504 CG PHE A 53 -0.814 0.562 16.370 1.00 25.57 C ATOM 505 CD1 PHE A 53 -1.618 -0.201 17.211 1.00 23.97 C ATOM 506 CD2 PHE A 53 -0.829 0.283 15.005 1.00 24.09 C ATOM 507 CE1 PHE A 53 -2.469 -1.164 16.707 1.00 24.43 C ATOM 508 CE2 PHE A 53 -1.655 -0.718 14.503 1.00 24.39 C ATOM 509 CZ PHE A 53 -2.475 -1.438 15.343 1.00 23.51 C ATOM 510 H PHE A 53 0.363 0.235 19.128 1.00 0.00 H ATOM 511 N TRP A 54 3.252 2.790 17.719 1.00 29.32 N ATOM 512 CA TRP A 54 4.063 3.894 18.284 1.00 30.37 C ATOM 513 C TRP A 54 3.807 5.143 17.469 1.00 31.81 C ATOM 514 O TRP A 54 4.427 5.282 16.411 1.00 31.58 O ATOM 515 CB TRP A 54 5.526 3.529 18.282 1.00 31.82 C ATOM 516 CG TRP A 54 5.846 2.358 19.154 1.00 33.10 C ATOM 517 CD1 TRP A 54 5.755 1.040 18.832 1.00 33.50 C ATOM 518 CD2 TRP A 54 6.246 2.407 20.532 1.00 33.52 C ATOM 519 NE1 TRP A 54 6.154 0.265 19.888 1.00 35.28 N ATOM 520 CE2 TRP A 54 6.496 1.080 20.936 1.00 33.71 C ATOM 521 CE3 TRP A 54 6.509 3.446 21.427 1.00 34.75 C ATOM 522 CZ2 TRP A 54 6.882 0.755 22.238 1.00 34.93 C ATOM 523 CZ3 TRP A 54 6.923 3.126 22.710 1.00 36.57 C ATOM 524 CH2 TRP A 54 7.096 1.804 23.106 1.00 35.84 C ATOM 525 HE1 TRP A 54 6.192 -0.774 19.894 1.00 0.00 H ATOM 526 H TRP A 54 3.614 2.304 16.874 1.00 0.00 H ATOM 527 N LEU A 55 2.866 5.969 17.920 1.00 30.79 N ATOM 528 CA LEU A 55 2.470 7.215 17.245 1.00 30.52 C ATOM 529 C LEU A 55 3.603 8.238 17.399 1.00 31.62 C ATOM 530 O LEU A 55 4.403 8.126 18.391 1.00 32.00 O ATOM 531 CB LEU A 55 1.174 7.724 17.865 1.00 31.73 C ATOM 532 CG LEU A 55 -0.106 7.108 17.314 1.00 33.87 C ATOM 533 CD1 LEU A 55 -0.035 5.610 17.273 1.00 32.24 C ATOM 534 CD2 LEU A 55 -1.305 7.553 18.118 1.00 34.63 C ATOM 535 H LEU A 55 2.380 5.718 18.805 1.00 0.00 H ATOM 536 N HIS A 56 3.569 9.279 16.585 1.00 31.25 N ATOM 537 CA HIS A 56 4.403 10.490 16.737 1.00 33.42 C ATOM 538 C HIS A 56 4.346 10.976 18.199 1.00 36.42 C ATOM 539 O HIS A 56 3.263 10.872 18.822 1.00 33.88 O ATOM 540 CB HIS A 56 3.973 11.542 15.741 1.00 34.15 C ATOM 541 CG HIS A 56 4.946 12.656 15.653 1.00 36.75 C ATOM 542 ND1 HIS A 56 5.003 13.660 16.618 1.00 39.09 N ATOM 543 CD2 HIS A 56 5.984 12.866 14.814 1.00 37.31 C ATOM 544 CE1 HIS A 56 6.001 14.459 16.330 1.00 38.15 C ATOM 545 NE2 HIS A 56 6.578 14.022 15.193 1.00 37.95 N ATOM 546 H HIS A 56 2.910 9.244 15.782 1.00 0.00 H ATOM 547 N ASP A 57 5.491 11.408 18.738 1.00 39.20 N ATOM 548 CA ASP A 57 5.684 11.799 20.168 1.00 43.27 C ATOM 549 C ASP A 57 4.716 12.950 20.534 1.00 40.01 C ATOM 550 O ASP A 57 4.438 13.115 21.720 1.00 39.99 O ATOM 551 CB ASP A 57 7.148 12.201 20.448 1.00 50.49 C ATOM 552 CG ASP A 57 8.191 11.234 19.887 1.00 56.82 C ATOM 553 OD1 ASP A 57 8.045 10.813 18.712 1.00 69.09 O ATOM 554 OD2 ASP A 57 9.165 10.952 20.595 1.00 66.35 O ATOM 555 H ASP A 57 6.317 11.478 18.110 1.00 0.00 H ATOM 556 N SER A 58 4.192 13.674 19.551 1.00 37.46 N ATOM 557 CA SER A 58 3.263 14.823 19.753 1.00 39.32 C ATOM 558 C SER A 58 1.869 14.350 20.184 1.00 39.30 C ATOM 559 O SER A 58 1.135 15.139 20.785 1.00 41.91 O ATOM 560 CB SER A 58 3.180 15.676 18.515 1.00 39.65 C ATOM 561 OG SER A 58 2.554 14.965 17.441 1.00 39.62 O ATOM 562 HG SER A 58 3.081 14.153 17.233 1.00 0.00 H ATOM 563 H SER A 58 4.447 13.422 18.575 1.00 0.00 H ATOM 564 N PHE A 59 1.483 13.121 19.877 1.00 36.41 N ATOM 565 CA PHE A 59 0.162 12.577 20.282 1.00 35.33 C ATOM 566 C PHE A 59 0.123 12.323 21.794 1.00 38.05 C ATOM 567 O PHE A 59 1.113 11.915 22.382 1.00 38.57 O ATOM 568 CB PHE A 59 -0.117 11.273 19.576 1.00 34.30 C ATOM 569 CG PHE A 59 -0.514 11.432 18.145 1.00 30.61 C ATOM 570 CD1 PHE A 59 0.448 11.540 17.161 1.00 30.51 C ATOM 571 CD2 PHE A 59 -1.841 11.562 17.805 1.00 29.83 C ATOM 572 CE1 PHE A 59 0.072 11.685 15.840 1.00 31.99 C ATOM 573 CE2 PHE A 59 -2.216 11.702 16.476 1.00 30.99 C ATOM 574 CZ PHE A 59 -1.266 11.752 15.506 1.00 30.86 C ATOM 575 H PHE A 59 2.129 12.515 19.332 1.00 0.00 H ATOM 576 N PRO A 60 -1.045 12.453 22.443 1.00 41.33 N ATOM 577 CA PRO A 60 -1.189 11.993 23.829 1.00 43.57 C ATOM 578 C PRO A 60 -1.123 10.459 23.884 1.00 43.50 C ATOM 579 O PRO A 60 -1.653 9.794 22.957 1.00 39.56 O ATOM 580 CB PRO A 60 -2.555 12.562 24.260 1.00 43.90 C ATOM 581 CG PRO A 60 -3.329 12.728 22.938 1.00 44.44 C ATOM 582 CD PRO A 60 -2.273 13.058 21.900 1.00 41.88 C ATOM 583 N LYS A 61 -0.449 9.926 24.913 1.00 43.89 N ATOM 584 CA LYS A 61 -0.181 8.476 25.112 1.00 45.92 C ATOM 585 C LYS A 61 0.204 7.841 23.779 1.00 42.86 C ATOM 586 O LYS A 61 -0.586 7.119 23.192 1.00 42.97 O ATOM 587 CB LYS A 61 -1.413 7.796 25.709 1.00 51.72 C ATOM 588 CG LYS A 61 -1.858 8.359 27.058 1.00 59.50 C ATOM 589 CD LYS A 61 -2.035 7.310 28.118 1.00 65.40 C ATOM 590 CE LYS A 61 -1.861 7.851 29.520 1.00 70.35 C ATOM 591 NZ LYS A 61 -3.030 8.658 29.937 1.00 76.20 N ATOM 592 HZ1 LYS A 61 -3.146 9.460 29.285 1.00 0.00 H ATOM 593 HZ2 LYS A 61 -3.884 8.065 29.915 1.00 0.00 H ATOM 594 HZ3 LYS A 61 -2.878 9.013 30.902 1.00 0.00 H ATOM 595 H LYS A 61 -0.083 10.581 25.633 1.00 0.00 H ATOM 596 N PRO A 62 1.410 8.128 23.233 1.00 40.26 N ATOM 597 CA PRO A 62 1.739 7.727 21.865 1.00 39.43 C ATOM 598 C PRO A 62 1.950 6.217 21.684 1.00 35.87 C ATOM 599 O PRO A 62 1.985 5.758 20.562 1.00 32.80 O ATOM 600 CB PRO A 62 3.047 8.485 21.566 1.00 40.05 C ATOM 601 CG PRO A 62 3.647 8.761 22.928 1.00 41.09 C ATOM 602 CD PRO A 62 2.465 8.940 23.849 1.00 40.81 C ATOM 603 N ARG A 63 2.216 5.512 22.759 1.00 33.22 N ATOM 604 CA ARG A 63 2.345 4.036 22.720 1.00 33.37 C ATOM 605 C ARG A 63 0.947 3.420 22.866 1.00 33.72 C ATOM 606 O ARG A 63 0.479 3.296 24.007 1.00 33.54 O ATOM 607 CB ARG A 63 3.287 3.568 23.821 1.00 33.70 C ATOM 608 CG ARG A 63 3.569 2.069 23.802 1.00 35.69 C ATOM 609 CD ARG A 63 4.236 1.626 25.063 1.00 37.92 C ATOM 610 NE ARG A 63 4.616 0.233 25.037 1.00 39.65 N ATOM 611 CZ ARG A 63 3.920 -0.748 25.556 1.00 40.42 C ATOM 612 NH1 ARG A 63 2.759 -0.517 26.159 1.00 42.71 N ATOM 613 NH2 ARG A 63 4.379 -1.973 25.462 1.00 44.01 N ATOM 614 HE ARG A 63 5.513 -0.010 24.570 1.00 0.00 H ATOM 615 HH12 ARG A 63 2.218 -1.307 26.566 1.00 0.00 H ATOM 616 HH11 ARG A 63 2.391 0.453 26.224 1.00 0.00 H ATOM 617 HH22 ARG A 63 3.839 -2.763 25.869 1.00 0.00 H ATOM 618 HH21 ARG A 63 5.283 -2.154 24.981 1.00 0.00 H ATOM 619 H ARG A 63 2.340 6.005 23.666 1.00 0.00 H ATOM 620 N ARG A 64 0.305 3.063 21.752 1.00 30.08 N ATOM 621 CA ARG A 64 -1.096 2.550 21.726 1.00 29.46 C ATOM 622 C ARG A 64 -1.079 1.023 21.609 1.00 30.34 C ATOM 623 O ARG A 64 -0.503 0.513 20.647 1.00 30.01 O ATOM 624 CB ARG A 64 -1.870 3.198 20.588 1.00 29.84 C ATOM 625 CG ARG A 64 -1.867 4.732 20.589 1.00 29.45 C ATOM 626 CD ARG A 64 -2.702 5.343 21.730 1.00 32.76 C ATOM 627 NE ARG A 64 -2.670 6.796 21.645 1.00 33.27 N ATOM 628 CZ ARG A 64 -3.455 7.546 20.858 1.00 32.29 C ATOM 629 NH1 ARG A 64 -3.323 8.856 20.860 1.00 35.56 N ATOM 630 NH2 ARG A 64 -4.435 7.014 20.175 1.00 32.07 N ATOM 631 HE ARG A 64 -1.981 7.294 22.244 1.00 0.00 H ATOM 632 HH12 ARG A 64 -3.930 9.441 20.251 1.00 0.00 H ATOM 633 HH11 ARG A 64 -2.612 9.306 21.471 1.00 0.00 H ATOM 634 HH22 ARG A 64 -5.033 7.613 19.570 1.00 0.00 H ATOM 635 HH21 ARG A 64 -4.617 5.992 20.237 1.00 0.00 H ATOM 636 H ARG A 64 0.811 3.147 20.848 1.00 0.00 H ATOM 637 N VAL A 65 -1.706 0.324 22.563 1.00 30.24 N ATOM 638 CA VAL A 65 -1.721 -1.155 22.662 1.00 31.87 C ATOM 639 C VAL A 65 -3.132 -1.648 22.346 1.00 31.26 C ATOM 640 O VAL A 65 -4.091 -1.148 22.963 1.00 32.99 O ATOM 641 CB VAL A 65 -1.276 -1.647 24.053 1.00 34.99 C ATOM 642 CG1 VAL A 65 -0.997 -3.139 24.037 1.00 36.05 C ATOM 643 CG2 VAL A 65 -0.067 -0.884 24.566 1.00 37.45 C ATOM 644 H VAL A 65 -2.222 0.859 23.290 1.00 0.00 H ATOM 645 N CYS A 66 -3.231 -2.633 21.480 1.00 29.29 N ATOM 646 CA CYS A 66 -4.434 -3.471 21.261 1.00 29.05 C ATOM 647 C CYS A 66 -4.096 -4.897 21.626 1.00 29.03 C ATOM 648 O CYS A 66 -3.264 -5.476 20.963 1.00 28.96 O ATOM 649 CB CYS A 66 -4.882 -3.385 19.810 1.00 29.36 C ATOM 650 SG CYS A 66 -5.360 -1.717 19.354 1.00 31.00 S ATOM 651 H CYS A 66 -2.394 -2.842 20.899 1.00 0.00 H ATOM 652 N LYS A 67 -4.665 -5.405 22.706 1.00 28.57 N ATOM 653 CA LYS A 67 -4.394 -6.760 23.215 1.00 31.61 C ATOM 654 C LYS A 67 -5.331 -7.755 22.543 1.00 30.80 C ATOM 655 O LYS A 67 -5.169 -8.950 22.770 1.00 30.36 O ATOM 656 CB LYS A 67 -4.571 -6.751 24.742 1.00 36.50 C ATOM 657 CG LYS A 67 -3.718 -5.686 25.424 1.00 40.91 C ATOM 658 CD LYS A 67 -3.558 -5.841 26.910 1.00 45.88 C ATOM 659 CE LYS A 67 -2.234 -5.304 27.417 1.00 50.77 C ATOM 660 NZ LYS A 67 -2.039 -5.618 28.858 1.00 57.19 N ATOM 661 HZ1 LYS A 67 -2.806 -5.186 29.412 1.00 0.00 H ATOM 662 HZ2 LYS A 67 -2.051 -6.649 28.992 1.00 0.00 H ATOM 663 HZ3 LYS A 67 -1.124 -5.237 29.174 1.00 0.00 H ATOM 664 H LYS A 67 -5.344 -4.813 23.226 1.00 0.00 H ATOM 665 N GLU A 68 -6.339 -7.270 21.812 1.00 30.65 N ATOM 666 CA GLU A 68 -7.260 -8.146 21.057 1.00 32.44 C ATOM 667 C GLU A 68 -7.774 -7.377 19.862 1.00 30.49 C ATOM 668 O GLU A 68 -7.622 -6.154 19.797 1.00 30.96 O ATOM 669 CB GLU A 68 -8.392 -8.669 21.956 1.00 37.22 C ATOM 670 CG GLU A 68 -9.373 -7.601 22.366 1.00 41.33 C ATOM 671 CD GLU A 68 -8.794 -6.583 23.319 1.00 44.93 C ATOM 672 OE1 GLU A 68 -8.425 -6.986 24.435 1.00 50.01 O ATOM 673 OE2 GLU A 68 -8.674 -5.375 22.915 1.00 50.26 O ATOM 674 H GLU A 68 -6.481 -6.240 21.773 1.00 0.00 H ATOM 675 N PRO A 69 -8.376 -8.068 18.880 1.00 30.37 N ATOM 676 CA PRO A 69 -8.909 -7.405 17.702 1.00 29.55 C ATOM 677 C PRO A 69 -10.090 -6.541 18.075 1.00 28.84 C ATOM 678 O PRO A 69 -10.860 -6.894 18.964 1.00 29.36 O ATOM 679 CB PRO A 69 -9.373 -8.520 16.756 1.00 31.47 C ATOM 680 CG PRO A 69 -8.914 -9.832 17.396 1.00 32.42 C ATOM 681 CD PRO A 69 -8.563 -9.524 18.842 1.00 32.35 C ATOM 682 N PRO A 70 -10.318 -5.418 17.375 1.00 28.43 N ATOM 683 CA PRO A 70 -9.496 -5.013 16.241 1.00 28.40 C ATOM 684 C PRO A 70 -8.159 -4.413 16.695 1.00 28.70 C ATOM 685 O PRO A 70 -8.130 -3.699 17.680 1.00 27.92 O ATOM 686 CB PRO A 70 -10.391 -3.968 15.550 1.00 28.05 C ATOM 687 CG PRO A 70 -11.072 -3.313 16.704 1.00 28.70 C ATOM 688 CD PRO A 70 -11.407 -4.470 17.632 1.00 28.66 C ATOM 689 N TYR A 71 -7.079 -4.762 16.003 1.00 27.65 N ATOM 690 CA TYR A 71 -5.759 -4.138 16.170 1.00 26.46 C ATOM 691 C TYR A 71 -5.722 -2.891 15.308 1.00 27.92 C ATOM 692 O TYR A 71 -5.376 -2.962 14.103 1.00 25.50 O ATOM 693 CB TYR A 71 -4.654 -5.112 15.838 1.00 27.30 C ATOM 694 CG TYR A 71 -4.784 -6.449 16.492 1.00 27.51 C ATOM 695 CD1 TYR A 71 -4.478 -6.629 17.841 1.00 25.59 C ATOM 696 CD2 TYR A 71 -5.188 -7.553 15.761 1.00 28.52 C ATOM 697 CE1 TYR A 71 -4.550 -7.880 18.420 1.00 25.93 C ATOM 698 CE2 TYR A 71 -5.318 -8.796 16.347 1.00 26.75 C ATOM 699 CZ TYR A 71 -5.009 -8.961 17.687 1.00 26.31 C ATOM 700 OH TYR A 71 -5.103 -10.213 18.238 1.00 25.34 O ATOM 701 HH TYR A 71 -4.852 -10.171 19.195 1.00 0.00 H ATOM 702 H TYR A 71 -7.174 -5.523 15.301 1.00 0.00 H ATOM 703 N LYS A 72 -6.115 -1.766 15.892 1.00 29.08 N ATOM 704 CA LYS A 72 -6.274 -0.528 15.120 1.00 30.58 C ATOM 705 C LYS A 72 -6.139 0.684 16.025 1.00 31.66 C ATOM 706 O LYS A 72 -6.486 0.621 17.222 1.00 30.28 O ATOM 707 CB LYS A 72 -7.595 -0.533 14.373 1.00 32.87 C ATOM 708 CG LYS A 72 -8.791 -0.145 15.200 1.00 35.38 C ATOM 709 CD LYS A 72 -10.078 -0.074 14.399 1.00 36.12 C ATOM 710 CE LYS A 72 -11.268 0.198 15.286 1.00 35.08 C ATOM 711 NZ LYS A 72 -12.527 0.222 14.513 1.00 34.69 N ATOM 712 HZ1 LYS A 72 -12.476 0.970 13.792 1.00 0.00 H ATOM 713 HZ2 LYS A 72 -12.665 -0.699 14.050 1.00 0.00 H ATOM 714 HZ3 LYS A 72 -13.323 0.411 15.155 1.00 0.00 H ATOM 715 H LYS A 72 -6.313 -1.762 16.913 1.00 0.00 H ATOM 716 N VAL A 73 -5.731 1.774 15.432 1.00 30.07 N ATOM 717 CA VAL A 73 -5.746 3.111 16.068 1.00 30.75 C ATOM 718 C VAL A 73 -6.477 4.018 15.120 1.00 30.74 C ATOM 719 O VAL A 73 -6.166 3.953 13.900 1.00 28.37 O ATOM 720 CB VAL A 73 -4.319 3.609 16.320 1.00 31.40 C ATOM 721 CG1 VAL A 73 -4.303 5.003 16.923 1.00 33.95 C ATOM 722 CG2 VAL A 73 -3.544 2.630 17.160 1.00 32.68 C ATOM 723 H VAL A 73 -5.375 1.698 14.458 1.00 0.00 H ATOM 724 N GLU A 74 -7.419 4.795 15.638 1.00 31.77 N ATOM 725 CA GLU A 74 -8.136 5.857 14.891 1.00 33.00 C ATOM 726 C GLU A 74 -7.753 7.208 15.496 1.00 34.25 C ATOM 727 O GLU A 74 -7.781 7.359 16.750 1.00 32.54 O ATOM 728 CB GLU A 74 -9.653 5.631 14.933 1.00 36.05 C ATOM 729 CG GLU A 74 -10.083 4.286 14.350 1.00 39.97 C ATOM 730 CD GLU A 74 -11.542 3.957 14.593 1.00 45.21 C ATOM 731 OE1 GLU A 74 -11.925 3.757 15.790 1.00 47.14 O ATOM 732 OE2 GLU A 74 -12.310 3.968 13.615 1.00 49.72 O ATOM 733 H GLU A 74 -7.672 4.650 16.636 1.00 0.00 H ATOM 734 N GLU A 75 -7.371 8.146 14.670 1.00 32.10 N ATOM 735 CA GLU A 75 -6.841 9.445 15.158 1.00 35.48 C ATOM 736 C GLU A 75 -7.179 10.561 14.170 1.00 34.85 C ATOM 737 O GLU A 75 -7.556 10.280 13.036 1.00 33.51 O ATOM 738 CB GLU A 75 -5.322 9.374 15.381 1.00 34.98 C ATOM 739 CG GLU A 75 -4.922 9.130 16.805 1.00 33.50 C ATOM 740 CD GLU A 75 -5.307 10.199 17.809 1.00 36.74 C ATOM 741 OE1 GLU A 75 -5.753 11.312 17.394 1.00 37.68 O ATOM 742 OE2 GLU A 75 -5.124 9.940 19.018 1.00 38.80 O ATOM 743 H GLU A 75 -7.440 7.979 13.646 1.00 0.00 H ATOM 744 N SER A 76 -6.985 11.786 14.612 1.00 37.18 N ATOM 745 CA SER A 76 -6.925 12.994 13.763 1.00 34.94 C ATOM 746 C SER A 76 -5.480 13.503 13.777 1.00 33.38 C ATOM 747 O SER A 76 -4.720 13.130 14.719 1.00 32.42 O ATOM 748 CB SER A 76 -7.906 14.002 14.265 1.00 35.20 C ATOM 749 OG SER A 76 -7.549 14.400 15.569 1.00 36.14 O ATOM 750 HG SER A 76 -8.201 15.068 15.899 1.00 0.00 H ATOM 751 H SER A 76 -6.865 11.913 15.637 1.00 0.00 H ATOM 752 N GLY A 77 -5.040 14.185 12.724 1.00 33.18 N ATOM 753 CA GLY A 77 -3.641 14.656 12.629 1.00 31.38 C ATOM 754 C GLY A 77 -3.458 15.698 11.570 1.00 31.08 C ATOM 755 O GLY A 77 -4.411 15.958 10.817 1.00 30.80 O ATOM 756 H GLY A 77 -5.698 14.393 11.946 1.00 0.00 H ATOM 757 N TYR A 78 -2.282 16.301 11.498 1.00 32.65 N ATOM 758 CA TYR A 78 -2.005 17.357 10.497 1.00 35.41 C ATOM 759 C TYR A 78 -0.826 16.964 9.591 1.00 36.21 C ATOM 760 O TYR A 78 -0.462 17.802 8.751 1.00 36.64 O ATOM 761 CB TYR A 78 -1.812 18.715 11.188 1.00 39.24 C ATOM 762 CG TYR A 78 -0.938 18.712 12.410 1.00 38.73 C ATOM 763 CD1 TYR A 78 0.432 18.623 12.289 1.00 40.54 C ATOM 764 CD2 TYR A 78 -1.471 18.888 13.683 1.00 41.92 C ATOM 765 CE1 TYR A 78 1.257 18.640 13.389 1.00 41.95 C ATOM 766 CE2 TYR A 78 -0.659 18.921 14.808 1.00 42.07 C ATOM 767 CZ TYR A 78 0.713 18.773 14.657 1.00 44.08 C ATOM 768 OH TYR A 78 1.551 18.811 15.725 1.00 44.11 O ATOM 769 HH TYR A 78 2.483 18.688 15.416 1.00 0.00 H ATOM 770 H TYR A 78 -1.531 16.026 12.163 1.00 0.00 H ATOM 771 N ALA A 79 -0.225 15.776 9.768 1.00 33.06 N ATOM 772 CA ALA A 79 0.949 15.322 8.976 1.00 33.11 C ATOM 773 C ALA A 79 1.110 13.807 9.065 1.00 33.01 C ATOM 774 O ALA A 79 0.785 13.216 10.123 1.00 29.95 O ATOM 775 CB ALA A 79 2.208 16.021 9.434 1.00 34.38 C ATOM 776 H ALA A 79 -0.601 15.139 10.499 1.00 0.00 H ATOM 777 N GLY A 80 1.678 13.212 8.019 1.00 30.69 N ATOM 778 CA GLY A 80 2.087 11.813 8.033 1.00 31.17 C ATOM 779 C GLY A 80 3.326 11.641 8.863 1.00 30.87 C ATOM 780 O GLY A 80 3.923 12.651 9.245 1.00 33.78 O ATOM 781 H GLY A 80 1.837 13.769 7.155 1.00 0.00 H ATOM 782 N PHE A 81 3.712 10.409 9.121 1.00 30.17 N ATOM 783 CA PHE A 81 4.943 10.068 9.852 1.00 29.74 C ATOM 784 C PHE A 81 5.208 8.587 9.656 1.00 29.78 C ATOM 785 O PHE A 81 4.304 7.877 9.223 1.00 29.66 O ATOM 786 CB PHE A 81 4.804 10.432 11.348 1.00 28.73 C ATOM 787 CG PHE A 81 3.616 9.812 12.048 1.00 28.60 C ATOM 788 CD1 PHE A 81 2.382 10.439 12.059 1.00 28.32 C ATOM 789 CD2 PHE A 81 3.740 8.619 12.735 1.00 28.87 C ATOM 790 CE1 PHE A 81 1.297 9.872 12.708 1.00 27.18 C ATOM 791 CE2 PHE A 81 2.649 8.045 13.367 1.00 28.61 C ATOM 792 CZ PHE A 81 1.432 8.696 13.375 1.00 28.83 C ATOM 793 H PHE A 81 3.110 9.629 8.788 1.00 0.00 H ATOM 794 N ILE A 82 6.375 8.144 10.108 1.00 30.12 N ATOM 795 CA ILE A 82 6.803 6.727 10.155 1.00 31.43 C ATOM 796 C ILE A 82 6.393 6.157 11.504 1.00 31.37 C ATOM 797 O ILE A 82 6.785 6.756 12.563 1.00 30.10 O ATOM 798 CB ILE A 82 8.301 6.614 9.905 1.00 33.97 C ATOM 799 CG1 ILE A 82 8.673 7.242 8.563 1.00 37.69 C ATOM 800 CG2 ILE A 82 8.751 5.167 9.990 1.00 35.55 C ATOM 801 CD1 ILE A 82 7.835 6.719 7.401 1.00 38.02 C ATOM 802 H ILE A 82 7.048 8.855 10.460 1.00 0.00 H ATOM 803 N MET A 83 5.593 5.088 11.471 1.00 27.55 N ATOM 804 CA MET A 83 4.994 4.489 12.654 1.00 27.98 C ATOM 805 C MET A 83 5.620 3.119 12.865 1.00 29.33 C ATOM 806 O MET A 83 5.367 2.195 12.093 1.00 31.25 O ATOM 807 CB MET A 83 3.477 4.365 12.496 1.00 26.08 C ATOM 808 CG MET A 83 2.794 3.916 13.760 1.00 25.75 C ATOM 809 SD MET A 83 1.064 3.542 13.568 1.00 30.31 S ATOM 810 CE MET A 83 0.420 5.196 13.352 1.00 28.36 C ATOM 811 H MET A 83 5.386 4.659 10.546 1.00 0.00 H ATOM 812 N PRO A 84 6.438 2.929 13.933 1.00 30.24 N ATOM 813 CA PRO A 84 6.779 1.590 14.380 1.00 29.79 C ATOM 814 C PRO A 84 5.490 0.859 14.788 1.00 28.57 C ATOM 815 O PRO A 84 4.692 1.407 15.524 1.00 28.50 O ATOM 816 CB PRO A 84 7.759 1.799 15.540 1.00 30.02 C ATOM 817 CG PRO A 84 8.314 3.205 15.284 1.00 33.15 C ATOM 818 CD PRO A 84 7.154 3.970 14.676 1.00 31.23 C ATOM 819 N ILE A 85 5.315 -0.360 14.297 1.00 27.33 N ATOM 820 CA ILE A 85 4.197 -1.277 14.693 1.00 28.39 C ATOM 821 C ILE A 85 4.828 -2.587 15.155 1.00 29.66 C ATOM 822 O ILE A 85 5.532 -3.197 14.354 1.00 30.82 O ATOM 823 CB ILE A 85 3.186 -1.481 13.541 1.00 29.45 C ATOM 824 CG1 ILE A 85 2.509 -0.161 13.130 1.00 28.93 C ATOM 825 CG2 ILE A 85 2.152 -2.529 13.927 1.00 29.38 C ATOM 826 CD1 ILE A 85 1.771 -0.216 11.812 1.00 28.85 C ATOM 827 H ILE A 85 5.998 -0.702 13.591 1.00 0.00 H ATOM 828 N GLU A 86 4.689 -2.937 16.438 1.00 26.70 N ATOM 829 CA GLU A 86 5.213 -4.209 16.961 1.00 27.84 C ATOM 830 C GLU A 86 4.058 -5.184 17.076 1.00 28.45 C ATOM 831 O GLU A 86 2.971 -4.816 17.696 1.00 28.74 O ATOM 832 CB GLU A 86 5.900 -4.007 18.315 1.00 30.47 C ATOM 833 CG GLU A 86 7.168 -3.185 18.238 1.00 33.44 C ATOM 834 CD GLU A 86 7.821 -2.989 19.604 1.00 38.65 C ATOM 835 OE1 GLU A 86 7.221 -2.337 20.425 1.00 41.35 O ATOM 836 OE2 GLU A 86 8.890 -3.565 19.847 1.00 44.83 O ATOM 837 H GLU A 86 4.195 -2.291 17.086 1.00 0.00 H ATOM 838 N VAL A 87 4.231 -6.362 16.515 1.00 26.99 N ATOM 839 CA VAL A 87 3.256 -7.468 16.624 1.00 26.12 C ATOM 840 C VAL A 87 3.901 -8.496 17.523 1.00 26.52 C ATOM 841 O VAL A 87 4.950 -9.027 17.137 1.00 28.26 O ATOM 842 CB VAL A 87 2.894 -8.026 15.235 1.00 25.50 C ATOM 843 CG1 VAL A 87 1.906 -9.189 15.351 1.00 28.52 C ATOM 844 CG2 VAL A 87 2.343 -6.931 14.312 1.00 26.20 C ATOM 845 H VAL A 87 5.099 -6.523 15.966 1.00 0.00 H ATOM 846 N HIS A 88 3.405 -8.635 18.737 1.00 27.24 N ATOM 847 CA HIS A 88 3.948 -9.585 19.735 1.00 28.90 C ATOM 848 C HIS A 88 3.263 -10.943 19.555 1.00 28.55 C ATOM 849 O HIS A 88 2.016 -10.966 19.383 1.00 30.22 O ATOM 850 CB HIS A 88 3.747 -9.046 21.149 1.00 28.30 C ATOM 851 CG HIS A 88 4.474 -7.786 21.403 1.00 29.75 C ATOM 852 ND1 HIS A 88 5.615 -7.740 22.193 1.00 31.11 N ATOM 853 CD2 HIS A 88 4.272 -6.524 20.956 1.00 29.65 C ATOM 854 CE1 HIS A 88 6.059 -6.496 22.230 1.00 30.57 C ATOM 855 NE2 HIS A 88 5.275 -5.749 21.475 1.00 29.88 N ATOM 856 H HIS A 88 2.591 -8.047 19.007 1.00 0.00 H ATOM 857 N PHE A 89 4.021 -12.025 19.688 1.00 29.71 N ATOM 858 CA PHE A 89 3.535 -13.413 19.484 1.00 28.98 C ATOM 859 C PHE A 89 3.258 -14.074 20.834 1.00 30.23 C ATOM 860 O PHE A 89 3.970 -13.810 21.790 1.00 30.91 O ATOM 861 CB PHE A 89 4.541 -14.228 18.679 1.00 29.50 C ATOM 862 CG PHE A 89 4.945 -13.555 17.395 1.00 29.30 C ATOM 863 CD1 PHE A 89 3.987 -12.934 16.589 1.00 28.74 C ATOM 864 CD2 PHE A 89 6.273 -13.517 16.996 1.00 27.94 C ATOM 865 CE1 PHE A 89 4.363 -12.296 15.402 1.00 27.73 C ATOM 866 CE2 PHE A 89 6.638 -12.873 15.811 1.00 29.45 C ATOM 867 CZ PHE A 89 5.682 -12.270 15.020 1.00 26.83 C ATOM 868 H PHE A 89 5.018 -11.892 19.952 1.00 0.00 H ATOM 869 N LYS A 90 2.258 -14.942 20.864 1.00 29.25 N ATOM 870 CA LYS A 90 2.043 -15.938 21.945 1.00 31.69 C ATOM 871 C LYS A 90 3.060 -17.090 21.825 1.00 32.38 C ATOM 872 O LYS A 90 2.656 -18.254 21.866 1.00 34.63 O ATOM 873 CB LYS A 90 0.604 -16.423 21.881 1.00 32.13 C ATOM 874 CG LYS A 90 -0.429 -15.339 22.172 1.00 31.57 C ATOM 875 CD LYS A 90 -1.846 -15.838 22.033 1.00 30.92 C ATOM 876 CE LYS A 90 -2.880 -14.778 22.347 1.00 30.71 C ATOM 877 NZ LYS A 90 -4.240 -15.217 21.984 1.00 30.41 N ATOM 878 HZ1 LYS A 90 -4.277 -15.419 20.964 1.00 0.00 H ATOM 879 HZ2 LYS A 90 -4.480 -16.077 22.518 1.00 0.00 H ATOM 880 HZ3 LYS A 90 -4.919 -14.464 22.214 1.00 0.00 H ATOM 881 H LYS A 90 1.577 -14.925 20.078 1.00 0.00 H ATOM 882 N ASN A 91 4.342 -16.757 21.729 1.00 33.56 N ATOM 883 CA ASN A 91 5.456 -17.720 21.518 1.00 34.97 C ATOM 884 C ASN A 91 6.244 -17.756 22.827 1.00 35.20 C ATOM 885 O ASN A 91 6.462 -16.710 23.374 1.00 39.67 O ATOM 886 CB ASN A 91 6.288 -17.290 20.299 1.00 33.92 C ATOM 887 CG ASN A 91 7.250 -18.332 19.768 1.00 37.68 C ATOM 888 OD1 ASN A 91 7.313 -19.467 20.264 1.00 39.60 O ATOM 889 ND2 ASN A 91 8.068 -17.930 18.786 1.00 37.52 N ATOM 890 HD22 ASN A 91 7.981 -16.969 18.398 1.00 0.00 H ATOM 891 HD21 ASN A 91 8.789 -18.579 18.412 1.00 0.00 H ATOM 892 H ASN A 91 4.585 -15.749 21.807 1.00 0.00 H ATOM 893 N LYS A 92 6.706 -18.898 23.278 1.00 38.34 N ATOM 894 CA LYS A 92 7.545 -18.953 24.521 1.00 44.04 C ATOM 895 C LYS A 92 9.033 -18.797 24.146 1.00 42.08 C ATOM 896 O LYS A 92 9.818 -18.459 25.025 1.00 40.11 O ATOM 897 CB LYS A 92 7.235 -20.229 25.306 1.00 49.98 C ATOM 898 CG LYS A 92 5.774 -20.356 25.703 1.00 57.59 C ATOM 899 CD LYS A 92 5.444 -21.626 26.449 1.00 66.56 C ATOM 900 CE LYS A 92 4.116 -21.548 27.189 1.00 71.89 C ATOM 901 NZ LYS A 92 3.605 -22.893 27.567 1.00 76.12 N ATOM 902 HZ1 LYS A 92 3.465 -23.463 26.709 1.00 0.00 H ATOM 903 HZ2 LYS A 92 4.295 -23.363 28.188 1.00 0.00 H ATOM 904 HZ3 LYS A 92 2.700 -22.790 28.068 1.00 0.00 H ATOM 905 H LYS A 92 6.488 -19.777 22.767 1.00 0.00 H ATOM 906 N GLU A 93 9.395 -18.958 22.858 1.00 39.02 N ATOM 907 CA GLU A 93 10.807 -18.858 22.421 1.00 41.01 C ATOM 908 C GLU A 93 10.925 -17.794 21.312 1.00 37.38 C ATOM 909 O GLU A 93 9.939 -17.116 21.015 1.00 38.66 O ATOM 910 CB GLU A 93 11.342 -20.249 22.033 1.00 43.93 C ATOM 911 CG GLU A 93 10.826 -20.765 20.700 1.00 44.56 C ATOM 912 CD GLU A 93 11.475 -22.048 20.165 1.00 44.12 C ATOM 913 OE1 GLU A 93 12.044 -22.824 20.966 1.00 44.34 O ATOM 914 OE2 GLU A 93 11.346 -22.295 18.950 1.00 45.07 O ATOM 915 H GLU A 93 8.661 -19.159 22.149 1.00 0.00 H ATOM 916 N GLU A 94 12.107 -17.615 20.789 1.00 34.87 N ATOM 917 CA GLU A 94 12.398 -16.603 19.746 1.00 34.31 C ATOM 918 C GLU A 94 11.826 -17.101 18.428 1.00 32.37 C ATOM 919 O GLU A 94 11.752 -18.301 18.192 1.00 36.55 O ATOM 920 CB GLU A 94 13.890 -16.349 19.654 1.00 33.81 C ATOM 921 CG GLU A 94 14.436 -15.632 20.873 1.00 36.36 C ATOM 922 CD GLU A 94 15.858 -15.131 20.742 1.00 35.92 C ATOM 923 OE1 GLU A 94 16.570 -15.563 19.774 1.00 34.14 O ATOM 924 OE2 GLU A 94 16.274 -14.319 21.613 1.00 36.57 O ATOM 925 H GLU A 94 12.888 -18.216 21.122 1.00 0.00 H ATOM 926 N PRO A 95 11.246 -16.215 17.619 1.00 32.56 N ATOM 927 CA PRO A 95 11.150 -14.787 17.961 1.00 31.53 C ATOM 928 C PRO A 95 9.853 -14.444 18.713 1.00 30.81 C ATOM 929 O PRO A 95 8.854 -15.102 18.518 1.00 30.41 O ATOM 930 CB PRO A 95 11.207 -14.123 16.589 1.00 31.80 C ATOM 931 CG PRO A 95 10.577 -15.145 15.648 1.00 30.95 C ATOM 932 CD PRO A 95 10.731 -16.516 16.286 1.00 31.10 C ATOM 933 N ARG A 96 9.916 -13.458 19.595 1.00 32.24 N ATOM 934 CA ARG A 96 8.799 -13.098 20.497 1.00 34.15 C ATOM 935 C ARG A 96 7.915 -12.042 19.832 1.00 31.30 C ATOM 936 O ARG A 96 6.754 -11.915 20.228 1.00 30.95 O ATOM 937 CB ARG A 96 9.360 -12.634 21.835 1.00 38.42 C ATOM 938 CG ARG A 96 10.244 -13.672 22.516 1.00 44.40 C ATOM 939 CD ARG A 96 9.413 -14.797 23.114 1.00 48.53 C ATOM 940 NE ARG A 96 8.276 -14.245 23.813 1.00 54.41 N ATOM 941 CZ ARG A 96 8.342 -13.682 25.015 1.00 64.95 C ATOM 942 NH1 ARG A 96 7.261 -13.135 25.552 1.00 66.90 N ATOM 943 NH2 ARG A 96 9.481 -13.699 25.696 1.00 69.17 N ATOM 944 HE ARG A 96 7.348 -14.291 23.347 1.00 0.00 H ATOM 945 HH12 ARG A 96 7.314 -12.695 26.493 1.00 0.00 H ATOM 946 HH11 ARG A 96 6.360 -13.146 25.033 1.00 0.00 H ATOM 947 HH22 ARG A 96 9.531 -13.258 26.637 1.00 0.00 H ATOM 948 HH21 ARG A 96 10.323 -14.153 25.289 1.00 0.00 H ATOM 949 H ARG A 96 10.796 -12.908 19.657 1.00 0.00 H ATOM 950 N LYS A 97 8.454 -11.286 18.876 1.00 30.27 N ATOM 951 CA LYS A 97 7.702 -10.209 18.203 1.00 30.44 C ATOM 952 C LYS A 97 8.360 -9.897 16.859 1.00 32.10 C ATOM 953 O LYS A 97 9.470 -10.404 16.606 1.00 30.54 O ATOM 954 CB LYS A 97 7.673 -8.957 19.080 1.00 30.65 C ATOM 955 CG LYS A 97 9.041 -8.305 19.256 1.00 32.86 C ATOM 956 CD LYS A 97 9.058 -7.068 20.097 1.00 35.04 C ATOM 957 CE LYS A 97 10.465 -6.550 20.293 1.00 40.64 C ATOM 958 NZ LYS A 97 10.494 -5.426 21.265 1.00 47.12 N ATOM 959 HZ1 LYS A 97 9.900 -4.649 20.912 1.00 0.00 H ATOM 960 HZ2 LYS A 97 10.130 -5.753 22.182 1.00 0.00 H ATOM 961 HZ3 LYS A 97 11.472 -5.092 21.378 1.00 0.00 H ATOM 962 H LYS A 97 9.440 -11.461 18.594 1.00 0.00 H ATOM 963 N VAL A 98 7.723 -9.043 16.078 1.00 29.91 N ATOM 964 CA VAL A 98 8.302 -8.451 14.839 1.00 33.27 C ATOM 965 C VAL A 98 7.910 -6.988 14.809 1.00 32.65 C ATOM 966 O VAL A 98 6.778 -6.672 15.222 1.00 31.65 O ATOM 967 CB VAL A 98 7.858 -9.201 13.569 1.00 34.16 C ATOM 968 CG1 VAL A 98 6.328 -9.246 13.392 1.00 35.55 C ATOM 969 CG2 VAL A 98 8.517 -8.626 12.320 1.00 34.90 C ATOM 970 H VAL A 98 6.757 -8.766 16.345 1.00 0.00 H ATOM 971 N CYS A 99 8.826 -6.122 14.405 1.00 31.69 N ATOM 972 CA CYS A 99 8.603 -4.667 14.309 1.00 34.35 C ATOM 973 C CYS A 99 8.588 -4.273 12.835 1.00 33.36 C ATOM 974 O CYS A 99 9.419 -4.769 12.097 1.00 39.07 O ATOM 975 CB CYS A 99 9.645 -3.865 15.095 1.00 39.17 C ATOM 976 SG CYS A 99 9.240 -2.082 15.209 1.00 45.42 S ATOM 977 H CYS A 99 9.761 -6.490 14.139 1.00 0.00 H ATOM 978 N PHE A 100 7.510 -3.655 12.417 1.00 30.39 N ATOM 979 CA PHE A 100 7.315 -3.053 11.084 1.00 31.01 C ATOM 980 C PHE A 100 7.527 -1.549 11.213 1.00 32.50 C ATOM 981 O PHE A 100 7.308 -1.015 12.282 1.00 34.93 O ATOM 982 CB PHE A 100 5.937 -3.420 10.558 1.00 30.04 C ATOM 983 CG PHE A 100 5.737 -4.913 10.380 1.00 30.76 C ATOM 984 CD1 PHE A 100 6.502 -5.620 9.471 1.00 30.34 C ATOM 985 CD2 PHE A 100 4.865 -5.614 11.177 1.00 30.35 C ATOM 986 CE1 PHE A 100 6.301 -6.980 9.279 1.00 32.26 C ATOM 987 CE2 PHE A 100 4.672 -6.978 10.991 1.00 30.98 C ATOM 988 CZ PHE A 100 5.437 -7.664 10.089 1.00 29.51 C ATOM 989 H PHE A 100 6.718 -3.582 13.088 1.00 0.00 H ATOM 990 N THR A 101 8.068 -0.934 10.188 1.00 30.67 N ATOM 991 CA THR A 101 8.174 0.525 10.042 1.00 32.09 C ATOM 992 C THR A 101 7.128 0.960 9.014 1.00 28.96 C ATOM 993 O THR A 101 7.320 0.693 7.816 1.00 29.79 O ATOM 994 CB THR A 101 9.632 0.910 9.706 1.00 34.31 C ATOM 995 OG1 THR A 101 10.417 0.464 10.812 1.00 42.52 O ATOM 996 CG2 THR A 101 9.833 2.387 9.543 1.00 36.75 C ATOM 997 HG1 THR A 101 10.318 -0.516 10.912 1.00 0.00 H ATOM 998 H THR A 101 8.451 -1.523 9.421 1.00 0.00 H ATOM 999 N TYR A 102 6.015 1.499 9.485 1.00 27.61 N ATOM 1000 CA TYR A 102 4.840 1.743 8.662 1.00 28.21 C ATOM 1001 C TYR A 102 4.819 3.203 8.218 1.00 29.94 C ATOM 1002 O TYR A 102 4.913 4.082 9.059 1.00 27.46 O ATOM 1003 CB TYR A 102 3.562 1.345 9.366 1.00 27.99 C ATOM 1004 CG TYR A 102 2.410 1.349 8.409 1.00 27.92 C ATOM 1005 CD1 TYR A 102 2.178 0.260 7.588 1.00 29.67 C ATOM 1006 CD2 TYR A 102 1.652 2.481 8.208 1.00 26.93 C ATOM 1007 CE1 TYR A 102 1.176 0.265 6.645 1.00 27.92 C ATOM 1008 CE2 TYR A 102 0.659 2.518 7.241 1.00 27.91 C ATOM 1009 CZ TYR A 102 0.405 1.400 6.467 1.00 27.74 C ATOM 1010 OH TYR A 102 -0.585 1.399 5.504 1.00 29.29 O ATOM 1011 HH TYR A 102 -0.391 2.100 4.832 1.00 0.00 H ATOM 1012 H TYR A 102 5.978 1.761 10.491 1.00 0.00 H ATOM 1013 N ASP A 103 4.729 3.403 6.900 1.00 28.16 N ATOM 1014 CA ASP A 103 4.630 4.719 6.266 1.00 31.84 C ATOM 1015 C ASP A 103 3.173 5.189 6.371 1.00 30.28 C ATOM 1016 O ASP A 103 2.400 4.850 5.511 1.00 28.82 O ATOM 1017 CB ASP A 103 5.147 4.656 4.815 1.00 35.59 C ATOM 1018 CG ASP A 103 5.161 6.013 4.119 1.00 39.86 C ATOM 1019 OD1 ASP A 103 4.771 6.999 4.763 1.00 41.44 O ATOM 1020 OD2 ASP A 103 5.522 6.062 2.895 1.00 49.31 O ATOM 1021 H ASP A 103 4.729 2.566 6.282 1.00 0.00 H ATOM 1022 N LEU A 104 2.825 5.937 7.417 1.00 29.07 N ATOM 1023 CA LEU A 104 1.474 6.573 7.533 1.00 29.88 C ATOM 1024 C LEU A 104 1.466 7.907 6.789 1.00 29.71 C ATOM 1025 O LEU A 104 1.688 8.927 7.426 1.00 31.05 O ATOM 1026 CB LEU A 104 1.083 6.782 8.999 1.00 30.01 C ATOM 1027 CG LEU A 104 -0.410 7.061 9.181 1.00 34.11 C ATOM 1028 CD1 LEU A 104 -1.158 5.777 9.499 1.00 35.55 C ATOM 1029 CD2 LEU A 104 -0.646 8.082 10.228 1.00 39.32 C ATOM 1030 H LEU A 104 3.516 6.085 8.180 1.00 0.00 H ATOM 1031 N PHE A 105 1.135 7.897 5.510 1.00 29.78 N ATOM 1032 CA PHE A 105 1.024 9.118 4.686 1.00 31.93 C ATOM 1033 C PHE A 105 -0.458 9.538 4.564 1.00 32.18 C ATOM 1034 O PHE A 105 -1.370 8.673 4.505 1.00 33.72 O ATOM 1035 CB PHE A 105 1.721 8.909 3.347 1.00 32.82 C ATOM 1036 CG PHE A 105 1.074 7.889 2.477 1.00 34.75 C ATOM 1037 CD1 PHE A 105 1.429 6.567 2.557 1.00 37.20 C ATOM 1038 CD2 PHE A 105 0.079 8.253 1.581 1.00 39.24 C ATOM 1039 CE1 PHE A 105 0.826 5.618 1.749 1.00 37.49 C ATOM 1040 CE2 PHE A 105 -0.536 7.298 0.788 1.00 39.45 C ATOM 1041 CZ PHE A 105 -0.154 5.988 0.873 1.00 39.00 C ATOM 1042 H PHE A 105 0.942 6.980 5.059 1.00 0.00 H ATOM 1043 N LEU A 106 -0.685 10.848 4.492 1.00 32.50 N ATOM 1044 CA LEU A 106 -2.022 11.472 4.312 1.00 33.31 C ATOM 1045 C LEU A 106 -2.232 11.833 2.834 1.00 36.04 C ATOM 1046 O LEU A 106 -1.244 11.910 2.103 1.00 36.03 O ATOM 1047 CB LEU A 106 -2.092 12.711 5.192 1.00 34.77 C ATOM 1048 CG LEU A 106 -1.739 12.472 6.668 1.00 36.08 C ATOM 1049 CD1 LEU A 106 -1.981 13.731 7.478 1.00 35.04 C ATOM 1050 CD2 LEU A 106 -2.542 11.311 7.238 1.00 35.96 C ATOM 1051 H LEU A 106 0.135 11.483 4.567 1.00 0.00 H ATOM 1052 N ASN A 107 -3.481 12.019 2.433 1.00 37.18 N ATOM 1053 CA ASN A 107 -3.846 12.549 1.095 1.00 39.99 C ATOM 1054 C ASN A 107 -3.734 14.074 1.163 1.00 40.76 C ATOM 1055 O ASN A 107 -4.518 14.710 1.901 1.00 39.17 O ATOM 1056 CB ASN A 107 -5.240 12.080 0.642 1.00 40.50 C ATOM 1057 CG ASN A 107 -6.350 12.402 1.626 1.00 40.28 C ATOM 1058 OD1 ASN A 107 -6.186 12.219 2.844 1.00 37.95 O ATOM 1059 ND2 ASN A 107 -7.492 12.866 1.110 1.00 37.94 N ATOM 1060 HD22 ASN A 107 -7.581 13.003 0.083 1.00 0.00 H ATOM 1061 HD21 ASN A 107 -8.292 13.091 1.736 1.00 0.00 H ATOM 1062 H ASN A 107 -4.249 11.780 3.093 1.00 0.00 H ATOM 1063 N LEU A 108 -2.740 14.621 0.514 1.00 45.61 N ATOM 1064 CA LEU A 108 -2.506 16.081 0.446 1.00 49.75 C ATOM 1065 C LEU A 108 -3.109 16.591 -0.852 1.00 51.98 C ATOM 1066 O LEU A 108 -3.393 15.768 -1.693 1.00 50.76 O ATOM 1067 CB LEU A 108 -0.991 16.320 0.543 1.00 52.43 C ATOM 1068 CG LEU A 108 -0.344 15.661 1.770 1.00 52.68 C ATOM 1069 CD1 LEU A 108 1.102 16.083 1.931 1.00 55.83 C ATOM 1070 CD2 LEU A 108 -1.140 15.985 3.031 1.00 51.86 C ATOM 1071 H LEU A 108 -2.075 13.994 0.017 1.00 0.00 H ATOM 1072 N GLU A 109 -3.400 17.896 -0.925 1.00 59.88 N ATOM 1073 CA GLU A 109 -3.622 18.644 -2.195 1.00 63.55 C ATOM 1074 C GLU A 109 -4.973 18.236 -2.801 1.00 59.71 C ATOM 1075 O GLU A 109 -5.051 18.092 -4.025 1.00 60.11 O ATOM 1076 CB GLU A 109 -2.451 18.373 -3.154 1.00 65.95 C ATOM 1077 CG GLU A 109 -2.075 19.559 -4.028 1.00 73.46 C ATOM 1078 CD GLU A 109 -2.113 20.928 -3.353 1.00 77.93 C ATOM 1079 OE1 GLU A 109 -1.805 21.015 -2.133 1.00 79.81 O ATOM 1080 OE2 GLU A 109 -2.451 21.911 -4.048 1.00 83.62 O ATOM 1081 H GLU A 109 -3.476 18.425 -0.033 1.00 0.00 H ATOM 1082 N GLY A 110 -5.996 18.080 -1.964 1.00 57.30 N ATOM 1083 CA GLY A 110 -7.332 17.596 -2.374 1.00 59.61 C ATOM 1084 C GLY A 110 -7.288 16.302 -3.196 1.00 57.07 C ATOM 1085 O GLY A 110 -8.162 16.124 -4.031 1.00 62.96 O ATOM 1086 H GLY A 110 -5.847 18.312 -0.961 1.00 0.00 H ATOM 1087 N ASN A 111 -6.369 15.390 -2.906 1.00 54.64 N ATOM 1088 CA ASN A 111 -6.353 14.017 -3.505 1.00 51.37 C ATOM 1089 C ASN A 111 -7.402 13.139 -2.820 1.00 46.32 C ATOM 1090 O ASN A 111 -7.803 13.413 -1.696 1.00 45.50 O ATOM 1091 CB ASN A 111 -4.955 13.407 -3.452 1.00 50.44 C ATOM 1092 CG ASN A 111 -4.048 14.028 -4.490 1.00 53.22 C ATOM 1093 OD1 ASN A 111 -4.511 14.414 -5.564 1.00 58.25 O ATOM 1094 ND2 ASN A 111 -2.785 14.195 -4.163 1.00 49.21 N ATOM 1095 HD22 ASN A 111 -2.436 13.853 -3.245 1.00 0.00 H ATOM 1096 HD21 ASN A 111 -2.135 14.669 -4.823 1.00 0.00 H ATOM 1097 H ASN A 111 -5.621 15.641 -2.228 1.00 0.00 H ATOM 1098 N PRO A 112 -7.943 12.105 -3.499 1.00 42.33 N ATOM 1099 CA PRO A 112 -8.914 11.227 -2.869 1.00 43.56 C ATOM 1100 C PRO A 112 -8.365 10.600 -1.595 1.00 39.89 C ATOM 1101 O PRO A 112 -7.173 10.620 -1.365 1.00 37.34 O ATOM 1102 CB PRO A 112 -9.231 10.134 -3.883 1.00 43.81 C ATOM 1103 CG PRO A 112 -8.366 10.444 -5.111 1.00 46.31 C ATOM 1104 CD PRO A 112 -7.786 11.836 -4.928 1.00 45.12 C ATOM 1105 N PRO A 113 -9.236 10.047 -0.740 1.00 39.98 N ATOM 1106 CA PRO A 113 -8.808 9.369 0.482 1.00 39.84 C ATOM 1107 C PRO A 113 -7.755 8.280 0.219 1.00 39.36 C ATOM 1108 O PRO A 113 -7.688 7.770 -0.886 1.00 35.64 O ATOM 1109 CB PRO A 113 -10.122 8.771 1.016 1.00 39.64 C ATOM 1110 CG PRO A 113 -11.168 9.750 0.544 1.00 42.75 C ATOM 1111 CD PRO A 113 -10.694 10.124 -0.853 1.00 43.53 C ATOM 1112 N VAL A 114 -6.865 8.076 1.196 1.00 38.55 N ATOM 1113 CA VAL A 114 -5.856 6.982 1.205 1.00 37.81 C ATOM 1114 C VAL A 114 -6.565 5.743 1.677 1.00 35.51 C ATOM 1115 O VAL A 114 -7.246 5.828 2.740 1.00 36.23 O ATOM 1116 CB VAL A 114 -4.667 7.293 2.147 1.00 39.97 C ATOM 1117 CG1 VAL A 114 -3.772 6.062 2.339 1.00 38.96 C ATOM 1118 CG2 VAL A 114 -3.865 8.482 1.665 1.00 41.08 C ATOM 1119 H VAL A 114 -6.879 8.728 2.006 1.00 0.00 H ATOM 1120 N ASN A 115 -6.340 4.628 1.010 1.00 34.59 N ATOM 1121 CA ASN A 115 -6.761 3.279 1.483 1.00 33.40 C ATOM 1122 C ASN A 115 -5.680 2.277 1.027 1.00 32.11 C ATOM 1123 O ASN A 115 -5.717 1.848 -0.164 1.00 30.90 O ATOM 1124 CB ASN A 115 -8.198 2.978 1.014 1.00 35.10 C ATOM 1125 CG ASN A 115 -8.854 1.775 1.674 1.00 35.87 C ATOM 1126 OD1 ASN A 115 -8.285 1.136 2.554 1.00 35.76 O ATOM 1127 ND2 ASN A 115 -10.026 1.399 1.188 1.00 38.06 N ATOM 1128 HD22 ASN A 115 -10.484 1.961 0.442 1.00 0.00 H ATOM 1129 HD21 ASN A 115 -10.489 0.542 1.552 1.00 0.00 H ATOM 1130 H ASN A 115 -5.840 4.694 0.101 1.00 0.00 H ATOM 1131 N HIS A 116 -4.662 2.029 1.870 1.00 29.21 N ATOM 1132 CA HIS A 116 -3.473 1.207 1.518 1.00 30.03 C ATOM 1133 C HIS A 116 -3.441 -0.050 2.357 1.00 28.48 C ATOM 1134 O HIS A 116 -3.825 -0.018 3.563 1.00 27.56 O ATOM 1135 CB HIS A 116 -2.119 1.960 1.644 1.00 32.43 C ATOM 1136 CG HIS A 116 -1.785 2.767 0.442 1.00 38.04 C ATOM 1137 ND1 HIS A 116 -0.665 2.525 -0.325 1.00 38.93 N ATOM 1138 CD2 HIS A 116 -2.484 3.767 -0.181 1.00 40.01 C ATOM 1139 CE1 HIS A 116 -0.642 3.393 -1.338 1.00 43.60 C ATOM 1140 NE2 HIS A 116 -1.757 4.189 -1.246 1.00 41.62 N ATOM 1141 H HIS A 116 -4.709 2.436 2.826 1.00 0.00 H ATOM 1142 N LEU A 117 -2.879 -1.074 1.779 1.00 26.43 N ATOM 1143 CA LEU A 117 -2.673 -2.367 2.423 1.00 28.75 C ATOM 1144 C LEU A 117 -1.266 -2.811 2.118 1.00 28.93 C ATOM 1145 O LEU A 117 -0.817 -2.721 0.943 1.00 27.19 O ATOM 1146 CB LEU A 117 -3.696 -3.362 1.903 1.00 30.17 C ATOM 1147 CG LEU A 117 -3.907 -4.594 2.768 1.00 31.44 C ATOM 1148 CD1 LEU A 117 -4.569 -4.222 4.099 1.00 31.24 C ATOM 1149 CD2 LEU A 117 -4.728 -5.600 2.036 1.00 32.23 C ATOM 1150 H LEU A 117 -2.557 -0.962 0.796 1.00 0.00 H ATOM 1151 N ARG A 118 -0.590 -3.260 3.132 1.00 27.50 N ATOM 1152 CA ARG A 118 0.744 -3.848 3.020 1.00 28.57 C ATOM 1153 C ARG A 118 0.662 -5.280 3.558 1.00 29.41 C ATOM 1154 O ARG A 118 0.279 -5.478 4.773 1.00 28.32 O ATOM 1155 CB ARG A 118 1.706 -2.917 3.748 1.00 29.95 C ATOM 1156 CG ARG A 118 2.992 -3.571 4.207 1.00 31.60 C ATOM 1157 CD ARG A 118 3.809 -2.557 4.990 1.00 31.18 C ATOM 1158 NE ARG A 118 4.997 -3.171 5.484 1.00 30.72 N ATOM 1159 CZ ARG A 118 5.926 -2.539 6.143 1.00 31.68 C ATOM 1160 NH1 ARG A 118 5.820 -1.238 6.346 1.00 31.11 N ATOM 1161 NH2 ARG A 118 6.974 -3.201 6.579 1.00 32.71 N ATOM 1162 HE ARG A 118 5.130 -4.187 5.307 1.00 0.00 H ATOM 1163 HH12 ARG A 118 6.561 -0.732 6.872 1.00 0.00 H ATOM 1164 HH11 ARG A 118 4.996 -0.720 5.980 1.00 0.00 H ATOM 1165 HH22 ARG A 118 7.720 -2.704 7.106 1.00 0.00 H ATOM 1166 HH21 ARG A 118 7.057 -4.222 6.397 1.00 0.00 H ATOM 1167 H ARG A 118 -1.022 -3.198 4.076 1.00 0.00 H ATOM 1168 N CYS A 119 0.925 -6.241 2.712 1.00 30.50 N ATOM 1169 CA CYS A 119 0.781 -7.682 3.032 1.00 32.00 C ATOM 1170 C CYS A 119 2.142 -8.233 3.436 1.00 34.34 C ATOM 1171 O CYS A 119 3.037 -8.188 2.631 1.00 35.14 O ATOM 1172 CB CYS A 119 0.196 -8.437 1.864 1.00 32.89 C ATOM 1173 SG CYS A 119 -1.490 -7.919 1.449 1.00 37.62 S ATOM 1174 H CYS A 119 1.254 -5.980 1.760 1.00 0.00 H ATOM 1175 N GLU A 120 2.242 -8.784 4.632 1.00 33.19 N ATOM 1176 CA GLU A 120 3.497 -9.353 5.173 1.00 33.77 C ATOM 1177 C GLU A 120 3.324 -10.855 5.383 1.00 36.47 C ATOM 1178 O GLU A 120 2.362 -11.249 6.093 1.00 34.05 O ATOM 1179 CB GLU A 120 3.836 -8.676 6.490 1.00 32.42 C ATOM 1180 CG GLU A 120 4.103 -7.201 6.337 1.00 33.20 C ATOM 1181 CD GLU A 120 5.374 -6.870 5.596 1.00 34.54 C ATOM 1182 OE1 GLU A 120 6.227 -7.733 5.499 1.00 32.01 O ATOM 1183 OE2 GLU A 120 5.537 -5.710 5.225 1.00 36.09 O ATOM 1184 H GLU A 120 1.390 -8.820 5.228 1.00 0.00 H ATOM 1185 N LYS A 121 4.289 -11.637 4.900 1.00 32.91 N ATOM 1186 CA LYS A 121 4.402 -13.079 5.160 1.00 36.20 C ATOM 1187 C LYS A 121 5.371 -13.289 6.294 1.00 33.42 C ATOM 1188 O LYS A 121 6.505 -12.836 6.193 1.00 35.30 O ATOM 1189 CB LYS A 121 4.952 -13.835 3.948 1.00 41.88 C ATOM 1190 CG LYS A 121 3.920 -14.333 2.970 1.00 48.64 C ATOM 1191 CD LYS A 121 4.449 -15.427 2.049 1.00 52.90 C ATOM 1192 CE LYS A 121 4.127 -15.159 0.593 1.00 55.72 C ATOM 1193 NZ LYS A 121 4.529 -16.289 -0.279 1.00 59.07 N ATOM 1194 HZ1 LYS A 121 5.554 -16.443 -0.194 1.00 0.00 H ATOM 1195 HZ2 LYS A 121 4.023 -17.149 0.014 1.00 0.00 H ATOM 1196 HZ3 LYS A 121 4.291 -16.065 -1.266 1.00 0.00 H ATOM 1197 H LYS A 121 5.013 -11.196 4.297 1.00 0.00 H ATOM 1198 N LEU A 122 4.959 -13.976 7.316 1.00 31.03 N ATOM 1199 CA LEU A 122 5.887 -14.398 8.360 1.00 31.70 C ATOM 1200 C LEU A 122 6.174 -15.878 8.164 1.00 32.93 C ATOM 1201 O LEU A 122 5.211 -16.653 7.971 1.00 33.57 O ATOM 1202 CB LEU A 122 5.277 -14.112 9.714 1.00 32.20 C ATOM 1203 CG LEU A 122 4.876 -12.675 9.979 1.00 33.10 C ATOM 1204 CD1 LEU A 122 4.363 -12.558 11.419 1.00 35.36 C ATOM 1205 CD2 LEU A 122 6.040 -11.732 9.743 1.00 35.05 C ATOM 1206 H LEU A 122 3.953 -14.229 7.392 1.00 0.00 H ATOM 1207 N THR A 123 7.442 -16.257 8.256 1.00 32.38 N ATOM 1208 CA THR A 123 7.907 -17.651 8.183 1.00 32.91 C ATOM 1209 C THR A 123 8.491 -18.042 9.536 1.00 31.66 C ATOM 1210 O THR A 123 9.545 -17.563 9.877 1.00 34.03 O ATOM 1211 CB THR A 123 8.912 -17.839 7.043 1.00 34.11 C ATOM 1212 OG1 THR A 123 8.221 -17.574 5.830 1.00 36.17 O ATOM 1213 CG2 THR A 123 9.483 -19.237 6.973 1.00 36.89 C ATOM 1214 HG1 THR A 123 7.877 -16.646 5.844 1.00 0.00 H ATOM 1215 H THR A 123 8.159 -15.515 8.389 1.00 0.00 H ATOM 1216 N PHE A 124 7.846 -18.945 10.229 1.00 31.36 N ATOM 1217 CA PHE A 124 8.348 -19.525 11.494 1.00 31.38 C ATOM 1218 C PHE A 124 9.057 -20.853 11.188 1.00 31.77 C ATOM 1219 O PHE A 124 8.424 -21.804 10.760 1.00 31.75 O ATOM 1220 CB PHE A 124 7.208 -19.654 12.498 1.00 29.79 C ATOM 1221 CG PHE A 124 6.711 -18.327 12.994 1.00 30.21 C ATOM 1222 CD1 PHE A 124 7.338 -17.679 14.046 1.00 30.10 C ATOM 1223 CD2 PHE A 124 5.607 -17.714 12.408 1.00 30.51 C ATOM 1224 CE1 PHE A 124 6.922 -16.418 14.445 1.00 29.09 C ATOM 1225 CE2 PHE A 124 5.191 -16.460 12.820 1.00 28.54 C ATOM 1226 CZ PHE A 124 5.803 -15.850 13.880 1.00 29.93 C ATOM 1227 H PHE A 124 6.927 -19.274 9.870 1.00 0.00 H ATOM 1228 N ASN A 125 10.349 -20.887 11.399 1.00 33.07 N ATOM 1229 CA ASN A 125 11.182 -22.113 11.274 1.00 37.25 C ATOM 1230 C ASN A 125 11.118 -22.897 12.596 1.00 36.78 C ATOM 1231 O ASN A 125 11.355 -22.295 13.658 1.00 36.49 O ATOM 1232 CB ASN A 125 12.612 -21.766 10.893 1.00 38.32 C ATOM 1233 CG ASN A 125 12.712 -21.196 9.498 1.00 42.62 C ATOM 1234 OD1 ASN A 125 12.324 -21.840 8.521 1.00 47.93 O ATOM 1235 ND2 ASN A 125 13.203 -19.983 9.391 1.00 46.72 N ATOM 1236 HD22 ASN A 125 13.519 -19.473 10.241 1.00 0.00 H ATOM 1237 HD21 ASN A 125 13.275 -19.532 8.457 1.00 0.00 H ATOM 1238 H ASN A 125 10.822 -20.002 11.671 1.00 0.00 H ATOM 1239 N ASN A 126 10.743 -24.164 12.529 1.00 34.39 N ATOM 1240 CA ASN A 126 10.842 -25.116 13.655 1.00 36.39 C ATOM 1241 C ASN A 126 10.222 -24.495 14.903 1.00 34.66 C ATOM 1242 O ASN A 126 10.823 -24.555 15.964 1.00 32.86 O ATOM 1243 CB ASN A 126 12.305 -25.540 13.929 1.00 39.45 C ATOM 1244 CG ASN A 126 12.959 -26.223 12.736 1.00 43.50 C ATOM 1245 OD1 ASN A 126 12.307 -26.942 11.978 1.00 43.55 O ATOM 1246 ND2 ASN A 126 14.239 -25.978 12.544 1.00 43.53 N ATOM 1247 HD22 ASN A 126 14.756 -25.365 13.206 1.00 0.00 H ATOM 1248 HD21 ASN A 126 14.732 -26.397 11.730 1.00 0.00 H ATOM 1249 H ASN A 126 10.355 -24.511 11.629 1.00 0.00 H ATOM 1250 N PRO A 127 8.967 -23.988 14.846 1.00 32.97 N ATOM 1251 CA PRO A 127 8.274 -23.536 16.045 1.00 33.78 C ATOM 1252 C PRO A 127 8.080 -24.698 17.029 1.00 34.70 C ATOM 1253 O PRO A 127 7.983 -25.856 16.594 1.00 32.49 O ATOM 1254 CB PRO A 127 6.913 -23.015 15.507 1.00 34.07 C ATOM 1255 CG PRO A 127 6.720 -23.762 14.230 1.00 33.11 C ATOM 1256 CD PRO A 127 8.116 -23.917 13.656 1.00 33.64 C ATOM 1257 N THR A 128 7.997 -24.400 18.315 1.00 34.34 N ATOM 1258 CA THR A 128 7.578 -25.400 19.345 1.00 35.16 C ATOM 1259 C THR A 128 6.232 -26.022 18.943 1.00 35.74 C ATOM 1260 O THR A 128 5.433 -25.377 18.189 1.00 33.68 O ATOM 1261 CB THR A 128 7.440 -24.782 20.742 1.00 34.96 C ATOM 1262 OG1 THR A 128 6.280 -23.938 20.696 1.00 34.96 O ATOM 1263 CG2 THR A 128 8.670 -24.003 21.156 1.00 35.27 C ATOM 1264 HG1 THR A 128 6.147 -23.513 21.580 1.00 0.00 H ATOM 1265 H THR A 128 8.232 -23.434 18.621 1.00 0.00 H ATOM 1266 N THR A 129 5.962 -27.214 19.448 1.00 35.92 N ATOM 1267 CA THR A 129 4.663 -27.905 19.324 1.00 39.18 C ATOM 1268 C THR A 129 3.539 -26.901 19.575 1.00 39.43 C ATOM 1269 O THR A 129 2.636 -26.791 18.736 1.00 38.06 O ATOM 1270 CB THR A 129 4.607 -29.058 20.325 1.00 40.80 C ATOM 1271 OG1 THR A 129 5.846 -29.741 20.134 1.00 44.82 O ATOM 1272 CG2 THR A 129 3.412 -29.962 20.138 1.00 40.90 C ATOM 1273 HG1 THR A 129 6.595 -29.121 20.320 1.00 0.00 H ATOM 1274 H THR A 129 6.719 -27.700 19.970 1.00 0.00 H ATOM 1275 N GLU A 130 3.576 -26.267 20.737 1.00 38.10 N ATOM 1276 CA GLU A 130 2.527 -25.362 21.243 1.00 40.94 C ATOM 1277 C GLU A 130 2.303 -24.249 20.223 1.00 36.84 C ATOM 1278 O GLU A 130 1.149 -24.024 19.838 1.00 35.88 O ATOM 1279 CB GLU A 130 2.959 -24.791 22.600 1.00 46.41 C ATOM 1280 CG GLU A 130 1.938 -23.862 23.228 1.00 55.76 C ATOM 1281 CD GLU A 130 2.389 -23.187 24.530 1.00 61.42 C ATOM 1282 OE1 GLU A 130 3.219 -23.790 25.255 1.00 62.41 O ATOM 1283 OE2 GLU A 130 1.924 -22.040 24.805 1.00 61.05 O ATOM 1284 H GLU A 130 4.410 -26.419 21.340 1.00 0.00 H ATOM 1285 N PHE A 131 3.356 -23.522 19.863 1.00 33.20 N ATOM 1286 CA PHE A 131 3.236 -22.304 19.029 1.00 33.23 C ATOM 1287 C PHE A 131 2.829 -22.733 17.615 1.00 32.39 C ATOM 1288 O PHE A 131 2.088 -22.007 16.944 1.00 34.66 O ATOM 1289 CB PHE A 131 4.522 -21.475 19.021 1.00 32.02 C ATOM 1290 CG PHE A 131 4.363 -20.123 18.369 1.00 32.03 C ATOM 1291 CD1 PHE A 131 3.373 -19.251 18.790 1.00 32.41 C ATOM 1292 CD2 PHE A 131 5.175 -19.737 17.326 1.00 31.90 C ATOM 1293 CE1 PHE A 131 3.199 -18.023 18.181 1.00 32.42 C ATOM 1294 CE2 PHE A 131 5.023 -18.495 16.737 1.00 33.13 C ATOM 1295 CZ PHE A 131 4.011 -17.654 17.147 1.00 32.14 C ATOM 1296 H PHE A 131 4.301 -23.820 20.179 1.00 0.00 H ATOM 1297 N ARG A 132 3.331 -23.853 17.151 1.00 31.43 N ATOM 1298 CA ARG A 132 2.957 -24.372 15.822 1.00 35.15 C ATOM 1299 C ARG A 132 1.432 -24.517 15.768 1.00 34.68 C ATOM 1300 O ARG A 132 0.837 -24.185 14.723 1.00 33.46 O ATOM 1301 CB ARG A 132 3.636 -25.701 15.552 1.00 38.43 C ATOM 1302 CG ARG A 132 3.306 -26.274 14.190 1.00 42.25 C ATOM 1303 CD ARG A 132 4.214 -27.439 13.892 1.00 47.30 C ATOM 1304 NE ARG A 132 3.920 -28.545 14.779 1.00 51.28 N ATOM 1305 CZ ARG A 132 4.821 -29.251 15.433 1.00 54.56 C ATOM 1306 NH1 ARG A 132 4.433 -30.271 16.188 1.00 53.48 N ATOM 1307 NH2 ARG A 132 6.103 -28.953 15.320 1.00 55.99 N ATOM 1308 HE ARG A 132 2.921 -28.802 14.910 1.00 0.00 H ATOM 1309 HH12 ARG A 132 5.139 -30.832 16.707 1.00 0.00 H ATOM 1310 HH11 ARG A 132 3.423 -30.509 16.261 1.00 0.00 H ATOM 1311 HH22 ARG A 132 6.814 -29.510 15.836 1.00 0.00 H ATOM 1312 HH21 ARG A 132 6.402 -28.161 14.715 1.00 0.00 H ATOM 1313 H ARG A 132 4.008 -24.387 17.733 1.00 0.00 H ATOM 1314 N TYR A 133 0.811 -24.969 16.853 1.00 36.69 N ATOM 1315 CA TYR A 133 -0.650 -25.238 16.864 1.00 38.65 C ATOM 1316 C TYR A 133 -1.373 -23.890 16.796 1.00 36.17 C ATOM 1317 O TYR A 133 -2.396 -23.796 16.068 1.00 38.38 O ATOM 1318 CB TYR A 133 -1.098 -26.080 18.070 1.00 41.41 C ATOM 1319 CG TYR A 133 -2.557 -26.483 18.007 1.00 48.07 C ATOM 1320 CD1 TYR A 133 -3.064 -27.179 16.906 1.00 51.36 C ATOM 1321 CD2 TYR A 133 -3.460 -26.117 18.996 1.00 53.18 C ATOM 1322 CE1 TYR A 133 -4.402 -27.546 16.825 1.00 52.15 C ATOM 1323 CE2 TYR A 133 -4.802 -26.495 18.934 1.00 55.45 C ATOM 1324 CZ TYR A 133 -5.274 -27.213 17.845 1.00 54.29 C ATOM 1325 OH TYR A 133 -6.601 -27.553 17.754 1.00 55.56 O ATOM 1326 HH TYR A 133 -6.754 -28.059 16.917 1.00 0.00 H ATOM 1327 H TYR A 133 1.363 -25.139 17.718 1.00 0.00 H ATOM 1328 N LYS A 134 -0.878 -22.887 17.532 1.00 34.62 N ATOM 1329 CA LYS A 134 -1.445 -21.502 17.509 1.00 33.81 C ATOM 1330 C LYS A 134 -1.406 -20.970 16.057 1.00 34.29 C ATOM 1331 O LYS A 134 -2.440 -20.462 15.559 1.00 33.37 O ATOM 1332 CB LYS A 134 -0.680 -20.621 18.479 1.00 33.38 C ATOM 1333 CG LYS A 134 -1.005 -20.879 19.950 1.00 35.57 C ATOM 1334 CD LYS A 134 -0.124 -20.124 20.908 1.00 35.52 C ATOM 1335 CE LYS A 134 -0.360 -20.540 22.351 1.00 37.35 C ATOM 1336 NZ LYS A 134 -1.796 -20.489 22.667 1.00 38.22 N ATOM 1337 HZ1 LYS A 134 -2.146 -19.519 22.531 1.00 0.00 H ATOM 1338 HZ2 LYS A 134 -2.312 -21.136 22.037 1.00 0.00 H ATOM 1339 HZ3 LYS A 134 -1.942 -20.776 23.656 1.00 0.00 H ATOM 1340 H LYS A 134 -0.062 -23.079 18.148 1.00 0.00 H ATOM 1341 N LEU A 135 -0.272 -21.105 15.399 1.00 31.95 N ATOM 1342 CA LEU A 135 -0.093 -20.650 13.999 1.00 32.78 C ATOM 1343 C LEU A 135 -1.087 -21.378 13.099 1.00 32.73 C ATOM 1344 O LEU A 135 -1.689 -20.719 12.212 1.00 29.44 O ATOM 1345 CB LEU A 135 1.346 -20.899 13.555 1.00 31.19 C ATOM 1346 CG LEU A 135 2.413 -20.077 14.289 1.00 31.12 C ATOM 1347 CD1 LEU A 135 3.791 -20.607 13.987 1.00 32.97 C ATOM 1348 CD2 LEU A 135 2.328 -18.601 13.923 1.00 30.69 C ATOM 1349 H LEU A 135 0.533 -21.551 15.883 1.00 0.00 H ATOM 1350 N LEU A 136 -1.277 -22.684 13.308 1.00 33.56 N ATOM 1351 CA LEU A 136 -2.157 -23.465 12.419 1.00 34.85 C ATOM 1352 C LEU A 136 -3.606 -23.100 12.744 1.00 35.41 C ATOM 1353 O LEU A 136 -4.342 -22.870 11.836 1.00 35.56 O ATOM 1354 CB LEU A 136 -1.873 -24.966 12.563 1.00 36.66 C ATOM 1355 CG LEU A 136 -0.545 -25.446 12.010 1.00 35.23 C ATOM 1356 CD1 LEU A 136 -0.344 -26.907 12.316 1.00 39.19 C ATOM 1357 CD2 LEU A 136 -0.441 -25.201 10.519 1.00 38.26 C ATOM 1358 H LEU A 136 -0.800 -23.154 14.104 1.00 0.00 H ATOM 1359 N ARG A 137 -3.947 -22.931 14.016 1.00 35.89 N ATOM 1360 CA ARG A 137 -5.302 -22.471 14.428 1.00 38.11 C ATOM 1361 C ARG A 137 -5.627 -21.143 13.731 1.00 35.94 C ATOM 1362 O ARG A 137 -6.791 -20.939 13.410 1.00 36.14 O ATOM 1363 CB ARG A 137 -5.397 -22.297 15.948 1.00 40.89 C ATOM 1364 CG ARG A 137 -5.927 -23.516 16.683 1.00 48.38 C ATOM 1365 CD ARG A 137 -6.070 -23.307 18.191 1.00 50.56 C ATOM 1366 NE ARG A 137 -7.329 -22.678 18.594 1.00 54.62 N ATOM 1367 CZ ARG A 137 -8.513 -23.288 18.658 1.00 59.44 C ATOM 1368 NH1 ARG A 137 -8.636 -24.565 18.319 1.00 66.45 N ATOM 1369 NH2 ARG A 137 -9.576 -22.616 19.054 1.00 60.98 N ATOM 1370 HE ARG A 137 -7.297 -21.671 18.852 1.00 0.00 H ATOM 1371 HH12 ARG A 137 -9.565 -25.030 18.373 1.00 0.00 H ATOM 1372 HH11 ARG A 137 -7.804 -25.101 17.999 1.00 0.00 H ATOM 1373 HH22 ARG A 137 -10.501 -23.089 19.105 1.00 0.00 H ATOM 1374 HH21 ARG A 137 -9.490 -21.613 19.315 1.00 0.00 H ATOM 1375 H ARG A 137 -3.240 -23.128 14.753 1.00 0.00 H ATOM 1376 N ALA A 138 -4.632 -20.260 13.540 1.00 32.69 N ATOM 1377 CA ALA A 138 -4.809 -18.905 12.952 1.00 32.46 C ATOM 1378 C ALA A 138 -4.958 -18.985 11.428 1.00 35.47 C ATOM 1379 O ALA A 138 -5.140 -17.908 10.813 1.00 38.62 O ATOM 1380 CB ALA A 138 -3.638 -18.011 13.323 1.00 30.58 C ATOM 1381 H ALA A 138 -3.672 -20.543 13.823 1.00 0.00 H ATOM 1382 N GLY A 139 -4.765 -20.170 10.834 1.00 34.22 N ATOM 1383 CA GLY A 139 -4.775 -20.357 9.373 1.00 34.62 C ATOM 1384 C GLY A 139 -3.390 -20.397 8.762 1.00 34.28 C ATOM 1385 O GLY A 139 -3.314 -20.348 7.537 1.00 35.42 O ATOM 1386 H GLY A 139 -4.599 -21.002 11.436 1.00 0.00 H ATOM 1387 N GLY A 140 -2.337 -20.532 9.571 1.00 32.37 N ATOM 1388 CA GLY A 140 -0.972 -20.831 9.114 1.00 34.10 C ATOM 1389 C GLY A 140 -0.895 -22.069 8.213 1.00 37.34 C ATOM 1390 O GLY A 140 -1.786 -22.901 8.272 1.00 37.88 O ATOM 1391 H GLY A 140 -2.493 -20.418 10.593 1.00 0.00 H ATOM 1392 N VAL A 141 0.091 -22.115 7.338 1.00 37.93 N ATOM 1393 CA VAL A 141 0.329 -23.236 6.394 1.00 43.84 C ATOM 1394 C VAL A 141 1.702 -23.837 6.664 1.00 43.34 C ATOM 1395 O VAL A 141 2.684 -23.094 6.693 1.00 43.66 O ATOM 1396 CB VAL A 141 0.186 -22.768 4.936 1.00 46.29 C ATOM 1397 CG1 VAL A 141 0.871 -23.714 3.963 1.00 48.52 C ATOM 1398 CG2 VAL A 141 -1.281 -22.587 4.583 1.00 50.09 C ATOM 1399 H VAL A 141 0.748 -21.309 7.307 1.00 0.00 H ATOM 1400 N MET A 142 1.766 -25.156 6.760 1.00 49.84 N ATOM 1401 CA MET A 142 3.021 -25.901 6.987 1.00 53.41 C ATOM 1402 C MET A 142 3.761 -26.079 5.669 1.00 57.62 C ATOM 1403 O MET A 142 3.148 -25.881 4.625 1.00 61.86 O ATOM 1404 CB MET A 142 2.749 -27.259 7.624 1.00 56.73 C ATOM 1405 CG MET A 142 3.052 -27.257 9.092 1.00 59.80 C ATOM 1406 SD MET A 142 2.705 -28.819 9.887 1.00 65.65 S ATOM 1407 CE MET A 142 4.350 -29.388 10.306 1.00 64.82 C ATOM 1408 H MET A 142 0.883 -25.698 6.671 1.00 0.00 H ATOM 1409 N VAL A 143 5.076 -26.261 5.761 1.00 63.98 N ATOM 1410 CA VAL A 143 5.983 -26.725 4.670 1.00 69.63 C ATOM 1411 C VAL A 143 7.022 -27.683 5.288 1.00 75.03 C ATOM 1412 O VAL A 143 7.217 -27.634 6.542 1.00 64.85 O ATOM 1413 CB VAL A 143 6.654 -25.533 3.967 1.00 69.13 C ATOM 1414 CG1 VAL A 143 7.483 -25.978 2.769 1.00 68.69 C ATOM 1415 CG2 VAL A 143 5.634 -24.473 3.567 1.00 68.82 C ATOM 1416 H VAL A 143 5.514 -26.060 6.683 1.00 0.00 H ATOM 1417 N MET A 144 7.647 -28.528 4.454 1.00 84.30 N ATOM 1418 CA MET A 144 8.621 -29.578 4.872 1.00 88.45 C ATOM 1419 C MET A 144 9.932 -29.399 4.096 1.00 90.33 C ATOM 1420 O MET A 144 10.606 -30.377 3.744 1.00 95.10 O ATOM 1421 CB MET A 144 8.056 -30.977 4.606 1.00 92.53 C ATOM 1422 CG MET A 144 6.736 -31.240 5.310 1.00 94.37 C ATOM 1423 SD MET A 144 6.918 -31.498 7.109 1.00 98.05 S ATOM 1424 CE MET A 144 5.255 -31.110 7.652 1.00 85.07 C ATOM 1425 H MET A 144 7.436 -28.445 3.439 1.00 0.00 H TER 1426 MET A 144 HETATM 1427 O HOH 1 -13.855 21.085 7.189 1.00 61.40 O HETATM 1428 O HOH 2 -5.124 9.880 -2.514 1.00 50.41 O HETATM 1429 O HOH 3 10.213 -20.069 17.395 1.00 34.86 O HETATM 1430 O HOH 4 -9.968 8.482 12.377 1.00 42.12 O HETATM 1431 O HOH 5 4.755 9.103 6.096 1.00 45.10 O HETATM 1432 O HOH 6 12.602 -26.293 9.570 1.00 57.88 O HETATM 1433 O HOH 7 10.696 -11.460 14.204 1.00 34.54 O HETATM 1434 O HOH 8 5.086 -11.926 23.032 1.00 43.92 O HETATM 1435 O HOH 9 -7.033 -3.629 23.699 1.00 41.34 O HETATM 1436 O HOH 10 -6.206 19.052 0.366 1.00 68.04 O HETATM 1437 O HOH 11 17.041 -12.057 20.767 1.00 42.10 O HETATM 1438 O HOH 12 0.908 2.245 26.276 1.00 38.78 O HETATM 1439 O HOH 13 9.872 -20.500 14.676 1.00 34.90 O HETATM 1440 O HOH 14 2.006 -8.240 27.025 1.00 50.78 O HETATM 1441 O HOH 15 -13.253 -6.244 19.665 1.00 40.81 O HETATM 1442 O HOH 16 -6.526 -0.147 3.961 1.00 39.48 O HETATM 1443 O HOH 17 -4.538 -10.714 20.733 1.00 26.54 O HETATM 1444 O HOH 18 -10.611 30.534 11.475 1.00 42.50 O HETATM 1445 O HOH 19 -9.839 -15.883 18.632 1.00 54.76 O HETATM 1446 O HOH 20 -14.427 3.202 15.028 1.00 59.43 O HETATM 1447 O HOH 21 12.592 -21.187 5.957 1.00 54.47 O HETATM 1448 O HOH 22 7.841 -27.183 14.290 1.00 47.60 O HETATM 1449 O HOH 23 -9.989 13.357 1.903 1.00 40.15 O HETATM 1450 O HOH 24 -2.703 -11.220 2.795 1.00 43.09 O HETATM 1451 O HOH 25 -8.353 -12.086 2.734 1.00 44.74 O HETATM 1452 O HOH 26 8.181 -28.376 20.479 1.00 47.38 O HETATM 1453 O HOH 27 -8.207 -9.221 4.625 1.00 51.59 O HETATM 1454 O HOH 28 14.996 -12.889 23.534 1.00 47.24 O HETATM 1455 O HOH 29 -6.115 0.505 22.204 1.00 48.66 O HETATM 1456 O HOH 30 -11.722 -11.662 18.869 1.00 42.56 O HETATM 1457 O HOH 31 7.029 -5.253 2.980 1.00 40.14 O HETATM 1458 O HOH 32 12.051 -33.531 11.926 1.00 54.95 O HETATM 1459 O HOH 33 12.756 -15.300 12.712 1.00 35.34 O HETATM 1460 O HOH 34 -3.490 -11.299 24.522 1.00 47.47 O HETATM 1461 O HOH 35 16.928 -18.246 19.275 1.00 25.93 O HETATM 1462 O HOH 36 6.925 -9.963 23.194 1.00 35.41 O HETATM 1463 O HOH 37 6.521 -10.328 3.916 1.00 52.95 O HETATM 1464 O HOH 38 -1.137 12.677 12.073 1.00 29.92 O HETATM 1465 O HOH 39 -8.102 -19.169 11.692 1.00 37.80 O HETATM 1466 O HOH 40 8.496 -14.679 5.525 1.00 48.67 O HETATM 1467 O HOH 41 -5.622 4.621 -1.716 1.00 33.45 O HETATM 1468 O HOH 42 8.214 -21.609 18.660 1.00 39.52 O HETATM 1469 O HOH 43 -10.074 5.818 3.025 1.00 42.54 O HETATM 1470 O HOH 44 -8.031 4.383 18.383 1.00 40.28 O HETATM 1471 O HOH 45 -8.956 -3.765 20.584 1.00 44.75 O HETATM 1472 O HOH 46 -3.560 -18.477 21.694 1.00 52.31 O HETATM 1473 O HOH 47 9.350 -2.442 7.965 1.00 35.82 O HETATM 1474 O HOH 48 2.230 2.614 3.736 1.00 41.36 O HETATM 1475 O HOH 49 -6.682 -15.054 1.580 1.00 54.40 O HETATM 1476 O HOH 50 3.140 -21.056 22.228 1.00 44.20 O HETATM 1477 O HOH 51 -18.195 17.293 17.455 1.00 44.84 O HETATM 1478 O HOH 52 4.494 1.006 5.147 1.00 31.30 O HETATM 1479 O HOH 53 9.475 -2.508 22.459 1.00 44.60 O HETATM 1480 O HOH 54 -8.089 -20.163 9.344 1.00 50.31 O HETATM 1481 O HOH 55 1.736 12.427 4.425 1.00 35.16 O HETATM 1482 O HOH 56 1.996 14.867 5.660 1.00 47.66 O HETATM 1483 O HOH 57 9.449 -14.145 8.463 1.00 41.45 O HETATM 1484 O HOH 58 11.822 -10.885 18.300 1.00 44.30 O HETATM 1485 O HOH 59 12.640 -12.621 20.371 1.00 41.25 O HETATM 1486 O HOH 60 -9.268 19.611 6.595 1.00 43.36 O HETATM 1487 O HOH 61 -5.806 4.391 20.340 1.00 39.64 O HETATM 1488 O HOH 62 5.803 -21.648 22.632 1.00 36.37 O HETATM 1489 O HOH 63 1.667 12.432 1.735 1.00 52.43 O HETATM 1490 O HOH 64 -2.761 1.909 24.856 1.00 39.99 O HETATM 1491 O HOH 65 -11.074 -11.399 22.144 1.00 58.77 O HETATM 1492 O HOH 66 5.368 -26.680 23.105 1.00 38.88 O HETATM 1493 O HOH 67 14.141 -18.146 22.947 1.00 45.14 O HETATM 1494 O HOH 68 11.130 -2.482 10.907 1.00 44.96 O HETATM 1495 O HOH 69 -1.950 4.392 25.465 1.00 49.38 O HETATM 1496 O HOH 70 2.330 6.247 25.724 1.00 33.50 O HETATM 1497 O HOH 71 -1.589 -23.489 21.984 1.00 64.67 O HETATM 1498 O HOH 72 -10.590 10.646 14.181 1.00 62.96 O HETATM 1499 O HOH 73 -0.182 -11.101 3.680 1.00 38.40 O HETATM 1500 O HOH 74 8.374 10.240 11.220 1.00 43.08 O HETATM 1501 O HOH 75 -5.468 1.777 19.918 1.00 54.83 O HETATM 1502 O HOH 76 8.802 -5.725 6.188 1.00 46.84 O HETATM 1503 O HOH 77 -8.608 -4.528 1.366 1.00 44.05 O HETATM 1504 O HOH 78 9.053 -0.422 5.367 1.00 50.41 O HETATM 1505 O HOH 79 6.185 -24.124 23.955 1.00 46.46 O HETATM 1506 O HOH 80 7.674 -1.769 25.019 1.00 54.71 O HETATM 1507 O HOH 81 7.264 9.529 14.679 1.00 55.15 O HETATM 1508 O HOH 82 -4.289 -22.732 20.560 1.00 60.12 O HETATM 1509 O HOH 83 -7.763 -1.803 21.961 1.00 52.87 O HETATM 1510 O HOH 84 -12.215 1.436 -2.097 1.00 50.11 O HETATM 1511 O HOH 85 4.246 11.415 5.186 1.00 54.60 O HETATM 1512 O HOH 86 8.600 -0.786 3.212 1.00 50.76 O HETATM 1513 O HOH 87 -15.247 -15.082 9.147 1.00 57.11 O HETATM 1514 N1 M A 82 -4.542 14.335 17.105 1.00 -0.25 N HETATM 1515 C11 M A 82 -3.203 14.733 17.234 1.00 0.06 C HETATM 1516 C12 M A 82 -2.167 14.791 16.295 1.00 -0.02 C HETATM 1517 C7 M A 82 -0.892 15.193 16.715 1.00 0.05 C HETATM 1518 N M A 82 0.251 15.238 15.857 1.00 -0.24 N HETATM 1519 C6 M A 82 0.322 15.002 14.515 1.00 0.23 C HETATM 1520 O M A 82 -0.664 14.868 13.794 1.00 -0.37 O HETATM 1521 C3 M A 82 1.702 14.979 13.934 1.00 0.06 C HETATM 1522 C2 M A 82 2.661 15.901 14.352 1.00 -0.04 C HETATM 1523 C1 M A 82 3.916 15.933 13.770 1.00 -0.05 C HETATM 1524 C M A 82 4.220 15.044 12.754 1.00 0.01 C HETATM 1525 C5 M A 82 3.291 14.106 12.335 1.00 -0.05 C HETATM 1526 C4 M A 82 2.039 14.074 12.927 1.00 -0.04 C HETATM 1527 H4 M A 82 1.312 13.337 12.604 1.00 0.07 H HETATM 1528 H5 M A 82 3.542 13.402 11.550 1.00 0.07 H HETATM 1529 I M A 82 6.097 15.147 11.814 1.00 -0.05 I HETATM 1530 H6 M A 82 4.656 16.650 14.108 1.00 0.07 H HETATM 1531 H2 M A 82 2.420 16.602 15.143 1.00 0.07 H HETATM 1532 H7 M A 82 1.115 15.475 16.301 1.00 0.22 H HETATM 1533 C8 M A 82 -0.676 15.566 18.052 1.00 -0.05 C HETATM 1534 C9 M A 82 -1.710 15.519 18.977 1.00 -0.07 C HETATM 1535 C10 M A 82 -2.959 15.102 18.554 1.00 0.01 C HETATM 1536 N2 M A 82 -4.166 14.941 19.219 1.00 -0.32 N HETATM 1537 C13 M A 82 -5.061 14.482 18.313 1.00 0.16 C HETATM 1538 C14 M A 82 -6.490 14.223 18.666 1.00 0.05 C HETATM 1539 N3 M A 82 -6.666 12.926 19.324 1.00 0.25 N HETATM 1540 C19 M A 82 -6.309 13.007 20.751 1.00 -0.03 C HETATM 1541 C18 M A 82 -6.446 11.659 21.448 1.00 -0.01 C HETATM 1542 C17 M A 82 -7.841 11.101 21.287 1.00 -0.04 C HETATM 1543 C16 M A 82 -8.256 11.104 19.826 1.00 -0.01 C HETATM 1544 C15 M A 82 -8.060 12.473 19.208 1.00 -0.03 C HETATM 1545 H21 M A 82 -8.332 12.426 18.143 1.00 0.08 H HETATM 1546 H22 M A 82 -8.713 13.193 19.722 1.00 0.08 H HETATM 1547 H19 M A 82 -9.318 10.825 19.753 1.00 0.03 H HETATM 1548 H20 M A 82 -7.646 10.371 19.277 1.00 0.03 H HETATM 1549 H17 M A 82 -8.546 11.718 21.863 1.00 0.03 H HETATM 1550 H18 M A 82 -7.863 10.069 21.666 1.00 0.03 H HETATM 1551 H15 M A 82 -6.231 11.785 22.519 1.00 0.03 H HETATM 1552 H16 M A 82 -5.724 10.954 21.010 1.00 0.03 H HETATM 1553 H13 M A 82 -6.974 13.731 21.244 1.00 0.08 H HETATM 1554 H14 M A 82 -5.267 13.348 20.838 1.00 0.08 H HETATM 1555 H3 M A 82 -6.064 12.254 18.874 1.00 0.21 H HETATM 1556 H11 M A 82 -6.837 15.016 19.345 1.00 0.11 H HETATM 1557 H12 M A 82 -7.092 14.239 17.745 1.00 0.11 H HETATM 1558 H9 M A 82 -1.542 15.803 20.009 1.00 0.05 H HETATM 1559 H10 M A 82 0.309 15.894 18.365 1.00 0.04 H HETATM 1560 H8 M A 82 -2.348 14.529 15.259 1.00 0.04 H HETATM 1561 H1 M A 82 -5.018 14.001 16.255 1.00 0.23 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1514 1515 1537 1561 CONECT 1515 1514 1516 1535 CONECT 1516 1515 1517 1560 CONECT 1517 1516 1518 1533 CONECT 1518 1517 1519 1532 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1526 CONECT 1522 1521 1523 1531 CONECT 1523 1522 1524 1530 CONECT 1524 1523 1525 1529 CONECT 1525 1524 1526 1528 CONECT 1526 1521 1525 1527 CONECT 1527 1526 CONECT 1528 1525 CONECT 1529 1524 CONECT 1530 1523 CONECT 1531 1522 CONECT 1532 1518 CONECT 1533 1517 1534 1559 CONECT 1534 1533 1535 1558 CONECT 1535 1515 1534 1536 CONECT 1536 1535 1537 CONECT 1537 1514 1536 1538 CONECT 1538 1537 1539 1556 1557 CONECT 1539 1538 1540 1544 1555 CONECT 1540 1539 1541 1553 1554 CONECT 1541 1540 1542 1551 1552 CONECT 1542 1541 1543 1549 1550 CONECT 1543 1542 1544 1547 1548 CONECT 1544 1539 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1543 CONECT 1548 1543 CONECT 1549 1542 CONECT 1550 1542 CONECT 1551 1541 CONECT 1552 1541 CONECT 1553 1540 CONECT 1554 1540 CONECT 1555 1539 CONECT 1556 1538 CONECT 1557 1538 CONECT 1558 1534 CONECT 1559 1533 CONECT 1560 1516 CONECT 1561 1514 MASTER 0 0 0 0 0 0 0 0 1560 1 52 11 END
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Structure:
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Related entries of code: 6t1o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6hpw
RCSB PDB
PDBbind
155aa, >6HPW_1|Chain... *
6ht1
RCSB PDB
PDBbind
155aa, >6HT1_1|Chain... at 100%
6t1i
RCSB PDB
PDBbind
154aa, >6T1I_1|Chain... at 100%
6t1j
RCSB PDB
PDBbind
154aa, >6T1J_1|Chain... at 100%
6t1l
RCSB PDB
PDBbind
154aa, >6T1L_1|Chain... at 100%
6t1m
RCSB PDB
PDBbind
154aa, >6T1M_1|Chain... at 100%
6t1n
RCSB PDB
PDBbind
154aa, >6T1N_1|Chain... at 100%
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
6t1o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MLLT1 (ENL) YEATS domain
Ligand Name
M82
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=2.6uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Med.Chem.Lett. Vol. 10: pp. 1661-1666
Ligand Properties
Formula
C
2
0
H
2
2
IN
4
O
Molecular Weight
461.319
Exact Mass
461.084
No. of atoms
48
No. of bonds
51
Polar Surface Area
62.22
LOGP Value
3.69 (
Computed with XLOGP3
)
4.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Ic1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]c(n2)C[NH+]1CCCCC1
InChI String
InChI=1S/C20H21IN4O/c21-15-6-4-14(5-7-15)20(26)22-16-8-9-17-18(12-16)24-19(23-17)13-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,22,26)(H,23,24)/p+1
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):
Q03111
Entrez Gene ID
NCBI Entrez Gene ID:
4298
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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