Browse entries in the PDBbind-CN Database
HEADER 5X4N_COMPLEX COMPND 5X4N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 LEU TYR PHE GLN GLY ALA ASP SER CYS ILE GLN PHE THR SEQRES 2 A 130 ARG HIS ALA SER ASP VAL LEU LEU ASN LEU ASN ARG LEU SEQRES 3 A 130 ARG SER ARG ASP ILE LEU THR ASP VAL VAL ILE VAL VAL SEQRES 4 A 130 SER ARG GLU GLN PHE ARG ALA HIS LYS THR VAL LEU MET SEQRES 5 A 130 ALA CYS SER GLY LEU PHE TYR SER ILE PHE THR ASP GLN SEQRES 6 A 130 LEU LYS CYS ASN LEU SER VAL ILE ASN LEU ASP PRO GLU SEQRES 7 A 130 ILE ASN PRO GLU GLY PHE CYS ILE LEU LEU ASP PHE MET SEQRES 8 A 130 TYR THR SER ARG LEU ASN LEU ARG GLU GLY ASN ILE MET SEQRES 9 A 130 ALA VAL MET ALA THR ALA MET TYR LEU GLN MET GLU HIS SEQRES 10 A 130 VAL VAL ASP THR CYS ARG LYS PHE ILE LYS ALA SER GLU HET UNN A 171 24 ATOM 1 N LEU A 0 51.661 -18.148 -17.426 1.00 73.13 N ATOM 2 CA LEU A 0 52.278 -18.788 -18.627 1.00 71.91 C ATOM 3 C LEU A 0 51.241 -19.650 -19.377 1.00 66.94 C ATOM 4 O LEU A 0 50.056 -19.714 -19.008 1.00 59.30 O ATOM 5 CB LEU A 0 53.561 -19.577 -18.253 1.00 76.91 C ATOM 6 CG LEU A 0 54.902 -18.938 -18.680 1.00 81.43 C ATOM 7 CD1 LEU A 0 56.076 -19.458 -17.852 1.00 85.02 C ATOM 8 CD2 LEU A 0 55.195 -19.133 -20.165 1.00 81.72 C ATOM 9 HN3 LEU A 0 51.308 -18.886 -16.784 1.00 0.00 H ATOM 10 HN2 LEU A 0 50.871 -17.541 -17.725 1.00 0.00 H ATOM 11 HN1 LEU A 0 52.375 -17.573 -16.936 1.00 0.00 H ATOM 12 N TYR A 1 51.697 -20.264 -20.461 1.00 62.67 N ATOM 13 CA TYR A 1 50.847 -21.026 -21.348 1.00 60.90 C ATOM 14 C TYR A 1 51.621 -22.222 -21.888 1.00 56.47 C ATOM 15 O TYR A 1 52.828 -22.308 -21.722 1.00 57.47 O ATOM 16 CB TYR A 1 50.318 -20.134 -22.484 1.00 64.21 C ATOM 17 CG TYR A 1 51.404 -19.340 -23.165 1.00 71.82 C ATOM 18 CD1 TYR A 1 51.798 -18.092 -22.668 1.00 74.11 C ATOM 19 CD2 TYR A 1 52.074 -19.848 -24.281 1.00 77.00 C ATOM 20 CE1 TYR A 1 52.812 -17.364 -23.275 1.00 78.70 C ATOM 21 CE2 TYR A 1 53.092 -19.128 -24.898 1.00 80.63 C ATOM 22 CZ TYR A 1 53.459 -17.887 -24.393 1.00 81.81 C ATOM 23 OH TYR A 1 54.467 -17.167 -24.999 1.00 86.32 O ATOM 24 HH TYR A 1 54.598 -16.314 -24.515 1.00 0.00 H ATOM 25 H TYR A 1 52.711 -20.194 -20.682 1.00 0.00 H ATOM 26 N PHE A 2 50.908 -23.158 -22.498 1.00 52.25 N ATOM 27 CA PHE A 2 51.531 -24.329 -23.079 1.00 53.25 C ATOM 28 C PHE A 2 50.697 -24.859 -24.221 1.00 52.58 C ATOM 29 O PHE A 2 49.539 -24.465 -24.376 1.00 47.04 O ATOM 30 CB PHE A 2 51.742 -25.411 -22.005 1.00 52.82 C ATOM 31 CG PHE A 2 50.483 -25.923 -21.376 1.00 49.57 C ATOM 32 CD1 PHE A 2 49.816 -27.024 -21.898 1.00 49.21 C ATOM 33 CD2 PHE A 2 49.976 -25.321 -20.221 1.00 48.99 C ATOM 34 CE1 PHE A 2 48.651 -27.508 -21.284 1.00 48.10 C ATOM 35 CE2 PHE A 2 48.806 -25.784 -19.613 1.00 48.04 C ATOM 36 CZ PHE A 2 48.148 -26.891 -20.135 1.00 47.81 C ATOM 37 H PHE A 2 49.876 -23.049 -22.561 1.00 0.00 H ATOM 38 N GLN A 3 51.283 -25.752 -25.014 1.00 54.77 N ATOM 39 CA GLN A 3 50.533 -26.405 -26.097 1.00 58.78 C ATOM 40 C GLN A 3 49.814 -27.584 -25.508 1.00 60.05 C ATOM 41 O GLN A 3 50.442 -28.493 -25.007 1.00 59.18 O ATOM 42 CB GLN A 3 51.421 -26.867 -27.262 1.00 63.04 C ATOM 43 CG GLN A 3 51.363 -25.944 -28.473 1.00 64.76 C ATOM 44 CD GLN A 3 52.246 -24.734 -28.325 1.00 67.02 C ATOM 45 OE1 GLN A 3 53.323 -24.808 -27.717 1.00 69.54 O ATOM 46 NE2 GLN A 3 51.809 -23.611 -28.888 1.00 64.89 N ATOM 47 HE22 GLN A 3 50.897 -23.601 -29.388 1.00 0.00 H ATOM 48 HE21 GLN A 3 52.379 -22.743 -28.828 1.00 0.00 H ATOM 49 H GLN A 3 52.284 -25.991 -24.866 1.00 0.00 H ATOM 50 N GLY A 4 48.490 -27.557 -25.567 1.00 63.95 N ATOM 51 CA GLY A 4 47.662 -28.577 -24.920 1.00 66.28 C ATOM 52 C GLY A 4 47.575 -29.780 -25.823 1.00 70.77 C ATOM 53 O GLY A 4 47.949 -29.709 -26.983 1.00 69.48 O ATOM 54 H GLY A 4 48.025 -26.787 -26.089 1.00 0.00 H ATOM 55 N ALA A 5 47.035 -30.871 -25.291 1.00 76.34 N ATOM 56 CA ALA A 5 46.838 -32.120 -26.055 1.00 82.04 C ATOM 57 C ALA A 5 46.118 -31.935 -27.412 1.00 82.76 C ATOM 58 O ALA A 5 46.366 -32.686 -28.350 1.00 86.11 O ATOM 59 CB ALA A 5 46.086 -33.134 -25.192 1.00 81.74 C ATOM 60 H ALA A 5 46.738 -30.845 -24.295 1.00 0.00 H ATOM 61 N ASP A 6 45.236 -30.936 -27.499 1.00 85.73 N ATOM 62 CA ASP A 6 44.493 -30.623 -28.730 1.00 88.82 C ATOM 63 C ASP A 6 45.209 -29.637 -29.675 1.00 87.66 C ATOM 64 O ASP A 6 44.564 -29.071 -30.562 1.00 88.01 O ATOM 65 CB ASP A 6 43.074 -30.110 -28.379 1.00 89.65 C ATOM 66 CG ASP A 6 43.072 -28.719 -27.733 1.00 90.55 C ATOM 67 OD1 ASP A 6 43.901 -28.451 -26.837 1.00 93.34 O ATOM 68 OD2 ASP A 6 42.220 -27.892 -28.115 1.00 94.82 O ATOM 69 H ASP A 6 45.066 -30.351 -26.656 1.00 0.00 H ATOM 70 N SER A 7 46.519 -29.428 -29.475 1.00 85.85 N ATOM 71 CA SER A 7 47.345 -28.450 -30.227 1.00 83.36 C ATOM 72 C SER A 7 47.008 -26.944 -30.009 1.00 77.90 C ATOM 73 O SER A 7 47.684 -26.074 -30.559 1.00 75.76 O ATOM 74 CB SER A 7 47.395 -28.805 -31.722 1.00 85.92 C ATOM 75 OG SER A 7 46.264 -28.310 -32.419 1.00 86.28 O ATOM 76 HG SER A 7 45.442 -28.703 -32.033 1.00 0.00 H ATOM 77 H SER A 7 46.990 -29.992 -28.739 1.00 0.00 H ATOM 78 N CYS A 8 46.004 -26.641 -29.183 1.00 72.90 N ATOM 79 CA CYS A 8 45.689 -25.263 -28.809 1.00 69.17 C ATOM 80 C CYS A 8 46.677 -24.723 -27.789 1.00 62.53 C ATOM 81 O CYS A 8 47.336 -25.480 -27.065 1.00 59.03 O ATOM 82 CB CYS A 8 44.294 -25.156 -28.191 1.00 72.10 C ATOM 83 SG CYS A 8 43.008 -24.747 -29.369 1.00 83.29 S ATOM 84 H CYS A 8 45.426 -27.412 -28.792 1.00 0.00 H ATOM 85 N ILE A 9 46.734 -23.401 -27.719 1.00 54.63 N ATOM 86 CA ILE A 9 47.426 -22.719 -26.653 1.00 52.45 C ATOM 87 C ILE A 9 46.488 -22.803 -25.430 1.00 51.20 C ATOM 88 O ILE A 9 45.278 -22.516 -25.537 1.00 46.40 O ATOM 89 CB ILE A 9 47.748 -21.260 -27.034 1.00 53.34 C ATOM 90 CG1 ILE A 9 48.721 -21.228 -28.221 1.00 57.38 C ATOM 91 CG2 ILE A 9 48.397 -20.503 -25.875 1.00 53.94 C ATOM 92 CD1 ILE A 9 48.588 -19.961 -29.034 1.00 58.18 C ATOM 93 H ILE A 9 46.265 -22.837 -28.456 1.00 0.00 H ATOM 94 N GLN A 10 47.048 -23.223 -24.296 1.00 48.19 N ATOM 95 CA GLN A 10 46.297 -23.348 -23.065 1.00 48.24 C ATOM 96 C GLN A 10 46.972 -22.509 -21.997 1.00 45.45 C ATOM 97 O GLN A 10 48.198 -22.518 -21.862 1.00 43.17 O ATOM 98 CB GLN A 10 46.238 -24.809 -22.664 1.00 53.60 C ATOM 99 CG GLN A 10 45.226 -25.101 -21.597 1.00 57.32 C ATOM 100 CD GLN A 10 44.781 -26.545 -21.615 1.00 60.99 C ATOM 101 OE1 GLN A 10 44.922 -27.243 -22.622 1.00 66.09 O ATOM 102 NE2 GLN A 10 44.234 -26.998 -20.496 1.00 62.65 N ATOM 103 HE22 GLN A 10 44.137 -26.370 -19.673 1.00 0.00 H ATOM 104 HE21 GLN A 10 43.902 -27.982 -20.441 1.00 0.00 H ATOM 105 H GLN A 10 48.058 -23.469 -24.296 1.00 0.00 H ATOM 106 N PHE A 11 46.161 -21.751 -21.263 1.00 43.78 N ATOM 107 CA PHE A 11 46.664 -20.855 -20.254 1.00 44.15 C ATOM 108 C PHE A 11 46.513 -21.543 -18.918 1.00 44.01 C ATOM 109 O PHE A 11 45.389 -21.829 -18.482 1.00 43.05 O ATOM 110 CB PHE A 11 45.924 -19.526 -20.294 1.00 44.27 C ATOM 111 CG PHE A 11 46.353 -18.644 -21.419 1.00 45.93 C ATOM 112 CD1 PHE A 11 46.216 -19.059 -22.740 1.00 47.15 C ATOM 113 CD2 PHE A 11 46.922 -17.399 -21.168 1.00 48.73 C ATOM 114 CE1 PHE A 11 46.604 -18.234 -23.789 1.00 47.57 C ATOM 115 CE2 PHE A 11 47.321 -16.574 -22.220 1.00 50.63 C ATOM 116 CZ PHE A 11 47.159 -16.993 -23.530 1.00 49.22 C ATOM 117 H PHE A 11 45.135 -21.807 -21.423 1.00 0.00 H ATOM 118 N THR A 12 47.662 -21.811 -18.308 1.00 45.13 N ATOM 119 CA THR A 12 47.790 -22.579 -17.082 1.00 47.13 C ATOM 120 C THR A 12 46.964 -22.029 -15.924 1.00 46.28 C ATOM 121 O THR A 12 46.332 -22.797 -15.207 1.00 45.85 O ATOM 122 CB THR A 12 49.263 -22.612 -16.643 1.00 49.79 C ATOM 123 OG1 THR A 12 50.059 -23.049 -17.738 1.00 53.15 O ATOM 124 CG2 THR A 12 49.488 -23.574 -15.485 1.00 51.88 C ATOM 125 HG1 THR A 12 51.010 -23.073 -17.464 1.00 0.00 H ATOM 126 H THR A 12 48.534 -21.444 -18.740 1.00 0.00 H ATOM 127 N ARG A 13 47.002 -20.708 -15.737 1.00 45.87 N ATOM 128 CA ARG A 13 46.369 -20.071 -14.581 1.00 46.71 C ATOM 129 C ARG A 13 44.991 -19.509 -14.867 1.00 42.64 C ATOM 130 O ARG A 13 44.414 -18.893 -13.989 1.00 42.18 O ATOM 131 CB ARG A 13 47.249 -18.916 -14.064 1.00 51.04 C ATOM 132 CG ARG A 13 48.651 -19.298 -13.653 1.00 56.69 C ATOM 133 CD ARG A 13 48.653 -20.300 -12.522 1.00 59.36 C ATOM 134 NE ARG A 13 50.007 -20.800 -12.290 1.00 66.10 N ATOM 135 CZ ARG A 13 50.325 -22.053 -11.948 1.00 67.19 C ATOM 136 NH1 ARG A 13 51.604 -22.363 -11.782 1.00 70.69 N ATOM 137 NH2 ARG A 13 49.392 -23.001 -11.789 1.00 64.94 N ATOM 138 HE ARG A 13 50.789 -20.124 -12.400 1.00 0.00 H ATOM 139 HH12 ARG A 13 51.874 -23.331 -11.516 1.00 0.00 H ATOM 140 HH11 ARG A 13 52.337 -21.638 -11.918 1.00 0.00 H ATOM 141 HH22 ARG A 13 49.672 -23.967 -11.523 1.00 0.00 H ATOM 142 HH21 ARG A 13 48.388 -22.771 -11.932 1.00 0.00 H ATOM 143 H ARG A 13 47.496 -20.114 -16.433 1.00 0.00 H ATOM 144 N HIS A 14 44.469 -19.692 -16.077 1.00 39.20 N ATOM 145 CA HIS A 14 43.231 -19.044 -16.444 1.00 36.88 C ATOM 146 C HIS A 14 42.054 -19.481 -15.555 1.00 36.22 C ATOM 147 O HIS A 14 41.352 -18.623 -15.002 1.00 33.98 O ATOM 148 CB HIS A 14 42.904 -19.282 -17.909 1.00 36.45 C ATOM 149 CG HIS A 14 41.603 -18.681 -18.321 1.00 35.66 C ATOM 150 ND1 HIS A 14 41.422 -17.316 -18.416 1.00 35.17 N ATOM 151 CD2 HIS A 14 40.397 -19.244 -18.578 1.00 34.51 C ATOM 152 CE1 HIS A 14 40.166 -17.070 -18.755 1.00 35.85 C ATOM 153 NE2 HIS A 14 39.516 -18.220 -18.839 1.00 33.83 N ATOM 154 H HIS A 14 44.955 -20.305 -16.762 1.00 0.00 H ATOM 155 N ALA A 15 41.842 -20.787 -15.406 1.00 34.57 N ATOM 156 CA ALA A 15 40.669 -21.254 -14.649 1.00 35.97 C ATOM 157 C ALA A 15 40.741 -20.759 -13.199 1.00 35.72 C ATOM 158 O ALA A 15 39.773 -20.218 -12.683 1.00 33.46 O ATOM 159 CB ALA A 15 40.537 -22.773 -14.713 1.00 36.98 C ATOM 160 H ALA A 15 42.502 -21.474 -15.823 1.00 0.00 H ATOM 161 N SER A 16 41.898 -20.912 -12.558 1.00 37.16 N ATOM 162 CA SER A 16 42.048 -20.458 -11.157 1.00 39.83 C ATOM 163 C SER A 16 41.955 -18.928 -11.040 1.00 38.52 C ATOM 164 O SER A 16 41.413 -18.428 -10.060 1.00 36.88 O ATOM 165 CB SER A 16 43.332 -20.993 -10.490 1.00 41.75 C ATOM 166 OG SER A 16 44.461 -20.574 -11.216 1.00 46.11 O ATOM 167 HG SER A 16 44.491 -19.585 -11.235 1.00 0.00 H ATOM 168 H SER A 16 42.703 -21.354 -13.046 1.00 0.00 H ATOM 169 N ASP A 17 42.443 -18.199 -12.040 1.00 37.54 N ATOM 170 CA ASP A 17 42.279 -16.726 -12.076 1.00 38.56 C ATOM 171 C ASP A 17 40.826 -16.270 -12.213 1.00 36.32 C ATOM 172 O ASP A 17 40.411 -15.291 -11.576 1.00 35.60 O ATOM 173 CB ASP A 17 43.129 -16.072 -13.171 1.00 40.15 C ATOM 174 CG ASP A 17 44.628 -16.015 -12.826 1.00 45.09 C ATOM 175 OD1 ASP A 17 45.052 -16.268 -11.669 1.00 46.85 O ATOM 176 OD2 ASP A 17 45.391 -15.702 -13.747 1.00 46.85 O ATOM 177 H ASP A 17 42.951 -18.673 -12.814 1.00 0.00 H ATOM 178 N VAL A 18 40.043 -16.981 -13.021 1.00 34.40 N ATOM 179 CA VAL A 18 38.626 -16.691 -13.141 1.00 32.97 C ATOM 180 C VAL A 18 37.972 -16.889 -11.777 1.00 33.78 C ATOM 181 O VAL A 18 37.233 -16.020 -11.297 1.00 31.15 O ATOM 182 CB VAL A 18 37.963 -17.581 -14.215 1.00 33.31 C ATOM 183 CG1 VAL A 18 36.451 -17.548 -14.119 1.00 33.74 C ATOM 184 CG2 VAL A 18 38.438 -17.182 -15.622 1.00 34.53 C ATOM 185 H VAL A 18 40.454 -17.758 -13.576 1.00 0.00 H ATOM 186 N LEU A 19 38.273 -18.017 -11.140 1.00 32.90 N ATOM 187 CA LEU A 19 37.672 -18.320 -9.848 1.00 35.24 C ATOM 188 C LEU A 19 38.072 -17.273 -8.800 1.00 35.57 C ATOM 189 O LEU A 19 37.221 -16.797 -8.039 1.00 35.30 O ATOM 190 CB LEU A 19 38.056 -19.746 -9.439 1.00 36.58 C ATOM 191 CG LEU A 19 37.143 -20.501 -8.511 1.00 39.96 C ATOM 192 CD1 LEU A 19 35.742 -20.606 -9.103 1.00 41.30 C ATOM 193 CD2 LEU A 19 37.705 -21.880 -8.196 1.00 40.77 C ATOM 194 H LEU A 19 38.943 -18.688 -11.568 1.00 0.00 H ATOM 195 N LEU A 20 39.342 -16.869 -8.807 1.00 35.68 N ATOM 196 CA LEU A 20 39.842 -15.810 -7.923 1.00 37.19 C ATOM 197 C LEU A 20 39.058 -14.512 -8.128 1.00 36.33 C ATOM 198 O LEU A 20 38.625 -13.872 -7.160 1.00 36.00 O ATOM 199 CB LEU A 20 41.340 -15.564 -8.181 1.00 42.25 C ATOM 200 CG LEU A 20 42.041 -14.468 -7.388 1.00 45.40 C ATOM 201 CD1 LEU A 20 41.864 -14.748 -5.895 1.00 48.71 C ATOM 202 CD2 LEU A 20 43.531 -14.398 -7.749 1.00 48.48 C ATOM 203 H LEU A 20 40.006 -17.323 -9.466 1.00 0.00 H ATOM 204 N ASN A 21 38.841 -14.145 -9.391 1.00 34.97 N ATOM 205 CA ASN A 21 38.070 -12.931 -9.708 1.00 34.96 C ATOM 206 C ASN A 21 36.606 -13.045 -9.309 1.00 34.66 C ATOM 207 O ASN A 21 36.027 -12.060 -8.799 1.00 35.48 O ATOM 208 CB ASN A 21 38.249 -12.508 -11.181 1.00 34.53 C ATOM 209 CG ASN A 21 39.595 -11.810 -11.447 1.00 36.94 C ATOM 210 OD1 ASN A 21 40.255 -11.365 -10.513 1.00 36.97 O ATOM 211 ND2 ASN A 21 40.003 -11.715 -12.741 1.00 35.47 N ATOM 212 HD22 ASN A 21 39.412 -12.106 -13.502 1.00 0.00 H ATOM 213 HD21 ASN A 21 40.906 -11.251 -12.969 1.00 0.00 H ATOM 214 H ASN A 21 39.222 -14.725 -10.165 1.00 0.00 H ATOM 215 N LEU A 22 36.003 -14.222 -9.487 1.00 33.04 N ATOM 216 CA LEU A 22 34.631 -14.441 -9.005 1.00 32.52 C ATOM 217 C LEU A 22 34.549 -14.311 -7.479 1.00 33.16 C ATOM 218 O LEU A 22 33.583 -13.741 -6.961 1.00 33.79 O ATOM 219 CB LEU A 22 34.089 -15.805 -9.456 1.00 32.90 C ATOM 220 CG LEU A 22 33.898 -16.028 -10.979 1.00 34.01 C ATOM 221 CD1 LEU A 22 33.486 -17.454 -11.311 1.00 34.50 C ATOM 222 CD2 LEU A 22 32.938 -15.016 -11.556 1.00 35.02 C ATOM 223 H LEU A 22 36.508 -14.992 -9.971 1.00 0.00 H ATOM 224 N ASN A 23 35.546 -14.836 -6.761 1.00 32.59 N ATOM 225 CA ASN A 23 35.575 -14.698 -5.298 1.00 35.36 C ATOM 226 C ASN A 23 35.745 -13.232 -4.817 1.00 38.07 C ATOM 227 O ASN A 23 35.159 -12.799 -3.797 1.00 39.06 O ATOM 228 CB ASN A 23 36.666 -15.573 -4.693 1.00 35.73 C ATOM 229 CG ASN A 23 36.418 -15.881 -3.211 1.00 36.89 C ATOM 230 OD1 ASN A 23 35.277 -16.042 -2.782 1.00 36.50 O ATOM 231 ND2 ASN A 23 37.468 -16.077 -2.481 1.00 37.71 N ATOM 232 HD22 ASN A 23 38.416 -15.929 -2.883 1.00 0.00 H ATOM 233 HD21 ASN A 23 37.364 -16.382 -1.492 1.00 0.00 H ATOM 234 H ASN A 23 36.311 -15.349 -7.244 1.00 0.00 H ATOM 235 N ARG A 24 36.540 -12.476 -5.559 1.00 38.05 N ATOM 236 CA ARG A 24 36.657 -11.023 -5.336 1.00 41.29 C ATOM 237 C ARG A 24 35.322 -10.321 -5.522 1.00 40.31 C ATOM 238 O ARG A 24 34.957 -9.479 -4.706 1.00 41.51 O ATOM 239 CB ARG A 24 37.713 -10.404 -6.246 1.00 41.86 C ATOM 240 CG ARG A 24 39.127 -10.773 -5.839 1.00 43.53 C ATOM 241 CD ARG A 24 40.110 -10.524 -6.968 1.00 45.00 C ATOM 242 NE ARG A 24 41.510 -10.613 -6.536 1.00 45.95 N ATOM 243 CZ ARG A 24 42.556 -10.561 -7.361 1.00 49.62 C ATOM 244 NH1 ARG A 24 42.376 -10.443 -8.677 1.00 48.94 N ATOM 245 NH2 ARG A 24 43.792 -10.613 -6.879 1.00 50.02 N ATOM 246 HE ARG A 24 41.698 -10.724 -5.519 1.00 0.00 H ATOM 247 HH12 ARG A 24 43.198 -10.403 -9.313 1.00 0.00 H ATOM 248 HH11 ARG A 24 41.414 -10.391 -9.068 1.00 0.00 H ATOM 249 HH22 ARG A 24 44.605 -10.572 -7.527 1.00 0.00 H ATOM 250 HH21 ARG A 24 43.947 -10.695 -5.854 1.00 0.00 H ATOM 251 H ARG A 24 37.096 -12.918 -6.318 1.00 0.00 H ATOM 252 N LEU A 25 34.590 -10.684 -6.578 1.00 37.94 N ATOM 253 CA LEU A 25 33.230 -10.150 -6.789 1.00 38.28 C ATOM 254 C LEU A 25 32.305 -10.505 -5.629 1.00 38.74 C ATOM 255 O LEU A 25 31.527 -9.647 -5.155 1.00 41.14 O ATOM 256 CB LEU A 25 32.621 -10.620 -8.118 1.00 36.28 C ATOM 257 CG LEU A 25 33.304 -10.199 -9.431 1.00 37.00 C ATOM 258 CD1 LEU A 25 32.441 -10.651 -10.601 1.00 36.77 C ATOM 259 CD2 LEU A 25 33.570 -8.704 -9.481 1.00 39.89 C ATOM 260 H LEU A 25 34.986 -11.356 -7.266 1.00 0.00 H ATOM 261 N ARG A 26 32.378 -11.746 -5.169 1.00 38.16 N ATOM 262 CA ARG A 26 31.561 -12.180 -4.046 1.00 40.36 C ATOM 263 C ARG A 26 31.875 -11.376 -2.791 1.00 42.64 C ATOM 264 O ARG A 26 30.977 -10.924 -2.078 1.00 42.69 O ATOM 265 CB ARG A 26 31.767 -13.666 -3.732 1.00 40.48 C ATOM 266 CG ARG A 26 30.955 -14.126 -2.515 1.00 41.10 C ATOM 267 CD ARG A 26 30.999 -15.628 -2.356 1.00 41.19 C ATOM 268 NE ARG A 26 32.331 -16.136 -1.981 1.00 42.10 N ATOM 269 CZ ARG A 26 32.645 -16.713 -0.813 1.00 42.88 C ATOM 270 NH1 ARG A 26 31.756 -16.804 0.172 1.00 42.82 N ATOM 271 NH2 ARG A 26 33.881 -17.164 -0.604 1.00 42.95 N ATOM 272 HE ARG A 26 33.092 -16.038 -2.683 1.00 0.00 H ATOM 273 HH12 ARG A 26 32.020 -17.256 1.071 1.00 0.00 H ATOM 274 HH11 ARG A 26 30.797 -16.423 0.043 1.00 0.00 H ATOM 275 HH22 ARG A 26 34.125 -17.612 0.302 1.00 0.00 H ATOM 276 HH21 ARG A 26 34.602 -17.068 -1.347 1.00 0.00 H ATOM 277 H ARG A 26 33.030 -12.420 -5.618 1.00 0.00 H ATOM 278 N SER A 27 33.151 -11.245 -2.499 1.00 44.39 N ATOM 279 CA SER A 27 33.594 -10.478 -1.346 1.00 47.72 C ATOM 280 C SER A 27 33.127 -9.000 -1.395 1.00 50.53 C ATOM 281 O SER A 27 32.805 -8.427 -0.356 1.00 51.85 O ATOM 282 CB SER A 27 35.109 -10.589 -1.196 1.00 48.61 C ATOM 283 OG SER A 27 35.623 -9.444 -0.546 1.00 59.69 O ATOM 284 HG SER A 27 36.605 -9.530 -0.456 1.00 0.00 H ATOM 285 H SER A 27 33.860 -11.701 -3.108 1.00 0.00 H ATOM 286 N ARG A 28 33.041 -8.412 -2.588 1.00 48.71 N ATOM 287 CA ARG A 28 32.553 -7.035 -2.746 1.00 50.77 C ATOM 288 C ARG A 28 31.054 -6.945 -3.049 1.00 50.43 C ATOM 289 O ARG A 28 30.534 -5.854 -3.272 1.00 51.03 O ATOM 290 CB ARG A 28 33.349 -6.331 -3.838 1.00 51.77 C ATOM 291 CG ARG A 28 34.833 -6.234 -3.528 1.00 53.77 C ATOM 292 CD ARG A 28 35.627 -5.892 -4.770 1.00 55.93 C ATOM 293 NE ARG A 28 35.236 -4.593 -5.325 1.00 59.69 N ATOM 294 CZ ARG A 28 35.567 -4.131 -6.536 1.00 61.56 C ATOM 295 NH1 ARG A 28 36.300 -4.860 -7.380 1.00 59.58 N ATOM 296 NH2 ARG A 28 35.160 -2.912 -6.903 1.00 64.08 N ATOM 297 HE ARG A 28 34.651 -3.977 -4.725 1.00 0.00 H ATOM 298 HH12 ARG A 28 36.546 -4.481 -8.317 1.00 0.00 H ATOM 299 HH11 ARG A 28 36.626 -5.807 -7.101 1.00 0.00 H ATOM 300 HH22 ARG A 28 35.410 -2.541 -7.842 1.00 0.00 H ATOM 301 HH21 ARG A 28 34.593 -2.335 -6.250 1.00 0.00 H ATOM 302 H ARG A 28 33.328 -8.945 -3.434 1.00 0.00 H ATOM 303 N ASP A 29 30.371 -8.092 -3.050 1.00 47.61 N ATOM 304 CA ASP A 29 28.953 -8.179 -3.315 1.00 48.25 C ATOM 305 C ASP A 29 28.541 -7.609 -4.684 1.00 47.21 C ATOM 306 O ASP A 29 27.533 -6.899 -4.813 1.00 47.84 O ATOM 307 CB ASP A 29 28.146 -7.522 -2.181 1.00 51.34 C ATOM 308 CG ASP A 29 26.747 -8.081 -2.083 1.00 52.01 C ATOM 309 OD1 ASP A 29 26.576 -9.301 -2.273 1.00 51.75 O ATOM 310 OD2 ASP A 29 25.811 -7.315 -1.824 1.00 55.85 O ATOM 311 H ASP A 29 30.888 -8.972 -2.849 1.00 0.00 H ATOM 312 N ILE A 30 29.324 -7.948 -5.699 1.00 45.34 N ATOM 313 CA ILE A 30 29.097 -7.463 -7.055 1.00 45.06 C ATOM 314 C ILE A 30 28.472 -8.566 -7.879 1.00 42.03 C ATOM 315 O ILE A 30 29.026 -9.675 -7.995 1.00 40.52 O ATOM 316 CB ILE A 30 30.407 -6.957 -7.700 1.00 46.71 C ATOM 317 CG1 ILE A 30 30.861 -5.676 -6.973 1.00 50.31 C ATOM 318 CG2 ILE A 30 30.201 -6.671 -9.184 1.00 45.93 C ATOM 319 CD1 ILE A 30 32.240 -5.200 -7.363 1.00 52.22 C ATOM 320 H ILE A 30 30.129 -8.582 -5.521 1.00 0.00 H ATOM 321 N LEU A 31 27.313 -8.253 -8.450 1.00 43.42 N ATOM 322 CA LEU A 31 26.533 -9.169 -9.275 1.00 44.15 C ATOM 323 C LEU A 31 26.102 -10.473 -8.569 1.00 42.61 C ATOM 324 O LEU A 31 25.700 -11.427 -9.234 1.00 40.92 O ATOM 325 CB LEU A 31 27.232 -9.450 -10.612 1.00 44.94 C ATOM 326 CG LEU A 31 26.712 -8.578 -11.780 1.00 49.64 C ATOM 327 CD1 LEU A 31 26.719 -7.088 -11.474 1.00 52.49 C ATOM 328 CD2 LEU A 31 27.500 -8.836 -13.029 1.00 50.19 C ATOM 329 H LEU A 31 26.939 -7.295 -8.299 1.00 0.00 H ATOM 330 N THR A 32 26.146 -10.496 -7.238 1.00 41.86 N ATOM 331 CA THR A 32 25.583 -11.617 -6.493 1.00 41.70 C ATOM 332 C THR A 32 24.076 -11.580 -6.757 1.00 43.79 C ATOM 333 O THR A 32 23.485 -10.504 -6.895 1.00 42.62 O ATOM 334 CB THR A 32 25.903 -11.514 -5.003 1.00 42.45 C ATOM 335 OG1 THR A 32 25.597 -10.200 -4.532 1.00 43.50 O ATOM 336 CG2 THR A 32 27.377 -11.783 -4.774 1.00 43.17 C ATOM 337 HG1 THR A 32 25.806 -10.140 -3.566 1.00 0.00 H ATOM 338 H THR A 32 26.586 -9.706 -6.724 1.00 0.00 H ATOM 339 N ASP A 33 23.480 -12.754 -6.940 1.00 42.57 N ATOM 340 CA ASP A 33 22.077 -12.822 -7.326 1.00 43.81 C ATOM 341 C ASP A 33 21.249 -13.762 -6.454 1.00 42.36 C ATOM 342 O ASP A 33 20.099 -14.034 -6.780 1.00 42.36 O ATOM 343 CB ASP A 33 21.961 -13.190 -8.813 1.00 44.01 C ATOM 344 CG ASP A 33 22.758 -14.440 -9.173 1.00 46.07 C ATOM 345 OD1 ASP A 33 23.292 -15.138 -8.262 1.00 41.59 O ATOM 346 OD2 ASP A 33 22.899 -14.701 -10.392 1.00 47.55 O ATOM 347 H ASP A 33 24.021 -13.632 -6.806 1.00 0.00 H ATOM 348 N VAL A 34 21.830 -14.243 -5.355 1.00 40.25 N ATOM 349 CA VAL A 34 21.107 -15.095 -4.428 1.00 41.31 C ATOM 350 C VAL A 34 21.686 -14.945 -3.035 1.00 41.66 C ATOM 351 O VAL A 34 22.887 -14.697 -2.892 1.00 40.14 O ATOM 352 CB VAL A 34 21.093 -16.564 -4.917 1.00 40.10 C ATOM 353 CG1 VAL A 34 22.451 -17.248 -4.719 1.00 39.98 C ATOM 354 CG2 VAL A 34 19.989 -17.359 -4.235 1.00 42.34 C ATOM 355 H VAL A 34 22.822 -14.003 -5.157 1.00 0.00 H ATOM 356 N VAL A 35 20.802 -15.026 -2.028 1.00 43.32 N ATOM 357 CA VAL A 35 21.158 -15.214 -0.625 1.00 45.20 C ATOM 358 C VAL A 35 20.777 -16.644 -0.170 1.00 44.74 C ATOM 359 O VAL A 35 19.614 -17.072 -0.325 1.00 43.51 O ATOM 360 CB VAL A 35 20.412 -14.232 0.320 1.00 49.90 C ATOM 361 CG1 VAL A 35 20.961 -14.336 1.741 1.00 51.95 C ATOM 362 CG2 VAL A 35 20.536 -12.805 -0.164 1.00 53.86 C ATOM 363 H VAL A 35 19.792 -14.949 -2.264 1.00 0.00 H ATOM 364 N ILE A 36 21.744 -17.343 0.424 1.00 41.31 N ATOM 365 CA ILE A 36 21.539 -18.660 0.995 1.00 42.29 C ATOM 366 C ILE A 36 21.452 -18.458 2.499 1.00 43.96 C ATOM 367 O ILE A 36 22.373 -17.882 3.091 1.00 44.96 O ATOM 368 CB ILE A 36 22.685 -19.634 0.662 1.00 40.04 C ATOM 369 CG1 ILE A 36 22.948 -19.671 -0.857 1.00 39.38 C ATOM 370 CG2 ILE A 36 22.358 -21.045 1.137 1.00 40.86 C ATOM 371 CD1 ILE A 36 21.741 -19.981 -1.713 1.00 39.27 C ATOM 372 H ILE A 36 22.694 -16.923 0.481 1.00 0.00 H ATOM 373 N VAL A 37 20.338 -18.904 3.091 1.00 44.40 N ATOM 374 CA VAL A 37 20.068 -18.754 4.530 1.00 47.96 C ATOM 375 C VAL A 37 20.236 -20.099 5.223 1.00 47.97 C ATOM 376 O VAL A 37 19.631 -21.086 4.806 1.00 47.20 O ATOM 377 CB VAL A 37 18.646 -18.220 4.790 1.00 50.42 C ATOM 378 CG1 VAL A 37 18.369 -18.076 6.282 1.00 52.91 C ATOM 379 CG2 VAL A 37 18.444 -16.887 4.077 1.00 50.81 C ATOM 380 H VAL A 37 19.625 -19.382 2.503 1.00 0.00 H ATOM 381 N VAL A 38 21.084 -20.114 6.250 1.00 48.91 N ATOM 382 CA VAL A 38 21.447 -21.317 6.989 1.00 52.03 C ATOM 383 C VAL A 38 21.419 -20.952 8.484 1.00 53.69 C ATOM 384 O VAL A 38 22.238 -20.150 8.935 1.00 54.07 O ATOM 385 CB VAL A 38 22.877 -21.792 6.618 1.00 53.55 C ATOM 386 CG1 VAL A 38 23.106 -23.217 7.090 1.00 55.56 C ATOM 387 CG2 VAL A 38 23.111 -21.702 5.113 1.00 54.07 C ATOM 388 H VAL A 38 21.513 -19.213 6.542 1.00 0.00 H ATOM 389 N SER A 39 20.469 -21.498 9.231 1.00 54.82 N ATOM 390 CA SER A 39 20.431 -21.334 10.708 1.00 57.25 C ATOM 391 C SER A 39 20.434 -19.846 11.114 1.00 57.44 C ATOM 392 O SER A 39 21.127 -19.435 12.078 1.00 55.50 O ATOM 393 CB SER A 39 21.629 -22.061 11.331 1.00 59.67 C ATOM 394 OG SER A 39 21.440 -22.346 12.710 1.00 61.26 O ATOM 395 HG SER A 39 21.307 -21.499 13.206 1.00 0.00 H ATOM 396 H SER A 39 19.726 -22.060 8.768 1.00 0.00 H ATOM 397 N ARG A 40 19.656 -19.068 10.354 1.00 55.69 N ATOM 398 CA ARG A 40 19.565 -17.603 10.447 1.00 58.63 C ATOM 399 C ARG A 40 20.839 -16.827 10.069 1.00 57.73 C ATOM 400 O ARG A 40 20.938 -15.652 10.410 1.00 60.55 O ATOM 401 CB ARG A 40 19.107 -17.145 11.840 1.00 61.60 C ATOM 402 CG ARG A 40 17.907 -17.868 12.426 1.00 63.96 C ATOM 403 CD ARG A 40 17.740 -17.414 13.869 1.00 68.25 C ATOM 404 NE ARG A 40 16.596 -18.035 14.536 1.00 71.16 N ATOM 405 CZ ARG A 40 15.345 -17.570 14.513 1.00 74.64 C ATOM 406 NH1 ARG A 40 15.021 -16.455 13.843 1.00 76.56 N ATOM 407 NH2 ARG A 40 14.397 -18.235 15.167 1.00 76.21 N ATOM 408 HE ARG A 40 16.771 -18.909 15.071 1.00 0.00 H ATOM 409 HH12 ARG A 40 14.038 -16.116 13.842 1.00 0.00 H ATOM 410 HH11 ARG A 40 15.753 -15.929 13.324 1.00 0.00 H ATOM 411 HH22 ARG A 40 13.417 -17.886 15.159 1.00 0.00 H ATOM 412 HH21 ARG A 40 14.635 -19.104 15.686 1.00 0.00 H ATOM 413 H ARG A 40 19.066 -19.538 9.638 1.00 0.00 H ATOM 414 N GLU A 41 21.800 -17.460 9.400 1.00 54.20 N ATOM 415 CA GLU A 41 22.962 -16.751 8.853 1.00 55.92 C ATOM 416 C GLU A 41 22.774 -16.636 7.345 1.00 53.51 C ATOM 417 O GLU A 41 22.301 -17.577 6.717 1.00 51.59 O ATOM 418 CB GLU A 41 24.265 -17.486 9.149 1.00 57.60 C ATOM 419 CG GLU A 41 24.746 -17.337 10.582 1.00 63.76 C ATOM 420 CD GLU A 41 26.161 -17.885 10.804 1.00 67.20 C ATOM 421 OE1 GLU A 41 27.021 -17.791 9.869 1.00 68.36 O ATOM 422 OE2 GLU A 41 26.394 -18.416 11.916 1.00 66.20 O ATOM 423 H GLU A 41 21.725 -18.488 9.261 1.00 0.00 H ATOM 424 N GLN A 42 23.151 -15.497 6.782 1.00 51.47 N ATOM 425 CA GLN A 42 22.969 -15.228 5.353 1.00 51.96 C ATOM 426 C GLN A 42 24.310 -15.246 4.617 1.00 49.03 C ATOM 427 O GLN A 42 25.306 -14.759 5.138 1.00 51.14 O ATOM 428 CB GLN A 42 22.286 -13.884 5.162 1.00 52.92 C ATOM 429 CG GLN A 42 20.885 -13.847 5.760 1.00 55.67 C ATOM 430 CD GLN A 42 20.183 -12.528 5.539 1.00 57.63 C ATOM 431 OE1 GLN A 42 20.499 -11.798 4.620 1.00 62.49 O ATOM 432 NE2 GLN A 42 19.238 -12.217 6.387 1.00 62.24 N ATOM 433 HE22 GLN A 42 18.998 -12.870 7.160 1.00 0.00 H ATOM 434 HE21 GLN A 42 18.726 -11.317 6.288 1.00 0.00 H ATOM 435 H GLN A 42 23.593 -14.767 7.377 1.00 0.00 H ATOM 436 N PHE A 43 24.315 -15.829 3.424 1.00 46.72 N ATOM 437 CA PHE A 43 25.517 -15.961 2.585 1.00 45.38 C ATOM 438 C PHE A 43 25.153 -15.532 1.158 1.00 43.98 C ATOM 439 O PHE A 43 24.310 -16.149 0.531 1.00 42.86 O ATOM 440 CB PHE A 43 25.968 -17.412 2.559 1.00 44.49 C ATOM 441 CG PHE A 43 26.426 -17.945 3.885 1.00 46.24 C ATOM 442 CD1 PHE A 43 27.747 -17.820 4.273 1.00 47.43 C ATOM 443 CD2 PHE A 43 25.544 -18.641 4.723 1.00 47.89 C ATOM 444 CE1 PHE A 43 28.187 -18.333 5.494 1.00 49.62 C ATOM 445 CE2 PHE A 43 25.970 -19.145 5.948 1.00 49.29 C ATOM 446 CZ PHE A 43 27.300 -18.994 6.332 1.00 49.29 C ATOM 447 H PHE A 43 23.419 -16.214 3.062 1.00 0.00 H ATOM 448 N ARG A 44 25.764 -14.460 0.662 1.00 44.46 N ATOM 449 CA ARG A 44 25.482 -13.979 -0.686 1.00 43.72 C ATOM 450 C ARG A 44 26.373 -14.728 -1.672 1.00 39.59 C ATOM 451 O ARG A 44 27.523 -15.037 -1.364 1.00 38.80 O ATOM 452 CB ARG A 44 25.660 -12.463 -0.766 1.00 46.80 C ATOM 453 CG ARG A 44 24.608 -11.713 0.084 1.00 53.80 C ATOM 454 CD ARG A 44 24.252 -10.313 -0.402 1.00 58.89 C ATOM 455 NE ARG A 44 23.891 -10.282 -1.835 1.00 62.54 N ATOM 456 CZ ARG A 44 22.655 -10.278 -2.363 1.00 64.44 C ATOM 457 NH1 ARG A 44 21.571 -10.279 -1.608 1.00 67.42 N ATOM 458 NH2 ARG A 44 22.502 -10.250 -3.687 1.00 63.82 N ATOM 459 HE ARG A 44 24.682 -10.261 -2.510 1.00 0.00 H ATOM 460 HH12 ARG A 44 20.630 -10.276 -2.050 1.00 0.00 H ATOM 461 HH11 ARG A 44 21.659 -10.283 -0.572 1.00 0.00 H ATOM 462 HH22 ARG A 44 21.548 -10.247 -4.100 1.00 0.00 H ATOM 463 HH21 ARG A 44 23.337 -10.231 -4.307 1.00 0.00 H ATOM 464 H ARG A 44 26.458 -13.953 1.248 1.00 0.00 H ATOM 465 N ALA A 45 25.852 -15.021 -2.858 1.00 37.85 N ATOM 466 CA ALA A 45 26.622 -15.799 -3.836 1.00 36.76 C ATOM 467 C ALA A 45 26.110 -15.582 -5.246 1.00 34.82 C ATOM 468 O ALA A 45 25.128 -14.846 -5.456 1.00 35.83 O ATOM 469 CB ALA A 45 26.583 -17.274 -3.461 1.00 36.52 C ATOM 470 H ALA A 45 24.893 -14.697 -3.095 1.00 0.00 H ATOM 471 N HIS A 46 26.794 -16.204 -6.191 1.00 33.73 N ATOM 472 CA HIS A 46 26.401 -16.239 -7.593 1.00 33.48 C ATOM 473 C HIS A 46 25.807 -17.609 -7.885 1.00 35.02 C ATOM 474 O HIS A 46 26.470 -18.646 -7.675 1.00 34.17 O ATOM 475 CB HIS A 46 27.622 -16.018 -8.486 1.00 34.03 C ATOM 476 CG HIS A 46 28.326 -14.725 -8.214 1.00 34.51 C ATOM 477 ND1 HIS A 46 29.420 -14.633 -7.383 1.00 35.00 N ATOM 478 CD2 HIS A 46 28.059 -13.461 -8.628 1.00 35.63 C ATOM 479 CE1 HIS A 46 29.806 -13.367 -7.303 1.00 36.47 C ATOM 480 NE2 HIS A 46 28.997 -12.634 -8.056 1.00 36.10 N ATOM 481 H HIS A 46 27.667 -16.699 -5.916 1.00 0.00 H ATOM 482 N LYS A 47 24.583 -17.615 -8.413 1.00 36.04 N ATOM 483 CA LYS A 47 23.874 -18.857 -8.730 1.00 37.41 C ATOM 484 C LYS A 47 24.688 -19.765 -9.637 1.00 36.54 C ATOM 485 O LYS A 47 24.735 -20.971 -9.414 1.00 34.34 O ATOM 486 CB LYS A 47 22.530 -18.562 -9.391 1.00 39.80 C ATOM 487 CG LYS A 47 21.483 -17.954 -8.476 1.00 41.62 C ATOM 488 CD LYS A 47 20.226 -17.633 -9.278 1.00 43.43 C ATOM 489 CE LYS A 47 19.231 -16.873 -8.424 1.00 45.18 C ATOM 490 NZ LYS A 47 17.949 -16.751 -9.152 1.00 47.54 N ATOM 491 HZ1 LYS A 47 18.105 -16.238 -10.043 1.00 0.00 H ATOM 492 HZ2 LYS A 47 17.577 -17.700 -9.358 1.00 0.00 H ATOM 493 HZ3 LYS A 47 17.267 -16.229 -8.565 1.00 0.00 H ATOM 494 H LYS A 47 24.115 -16.706 -8.607 1.00 0.00 H ATOM 495 N THR A 48 25.356 -19.190 -10.649 1.00 36.18 N ATOM 496 CA THR A 48 26.122 -20.010 -11.614 1.00 35.62 C ATOM 497 C THR A 48 27.269 -20.758 -10.950 1.00 32.84 C ATOM 498 O THR A 48 27.502 -21.918 -11.243 1.00 33.88 O ATOM 499 CB THR A 48 26.683 -19.163 -12.772 1.00 36.47 C ATOM 500 OG1 THR A 48 27.369 -18.028 -12.226 1.00 36.48 O ATOM 501 CG2 THR A 48 25.560 -18.726 -13.665 1.00 40.69 C ATOM 502 HG1 THR A 48 27.733 -17.478 -12.964 1.00 0.00 H ATOM 503 H THR A 48 25.335 -18.156 -10.756 1.00 0.00 H ATOM 504 N VAL A 49 27.970 -20.108 -10.027 1.00 32.42 N ATOM 505 CA VAL A 49 29.025 -20.794 -9.279 1.00 32.23 C ATOM 506 C VAL A 49 28.421 -21.940 -8.404 1.00 33.17 C ATOM 507 O VAL A 49 28.918 -23.082 -8.372 1.00 33.41 O ATOM 508 CB VAL A 49 29.845 -19.803 -8.428 1.00 31.52 C ATOM 509 CG1 VAL A 49 30.870 -20.537 -7.572 1.00 33.24 C ATOM 510 CG2 VAL A 49 30.538 -18.774 -9.307 1.00 33.56 C ATOM 511 H VAL A 49 27.768 -19.106 -9.835 1.00 0.00 H ATOM 512 N LEU A 50 27.336 -21.636 -7.707 1.00 34.06 N ATOM 513 CA LEU A 50 26.660 -22.668 -6.888 1.00 35.06 C ATOM 514 C LEU A 50 26.304 -23.890 -7.712 1.00 34.05 C ATOM 515 O LEU A 50 26.649 -25.001 -7.330 1.00 36.49 O ATOM 516 CB LEU A 50 25.429 -22.109 -6.182 1.00 34.83 C ATOM 517 CG LEU A 50 25.663 -20.992 -5.164 1.00 35.62 C ATOM 518 CD1 LEU A 50 24.352 -20.627 -4.486 1.00 36.79 C ATOM 519 CD2 LEU A 50 26.714 -21.313 -4.122 1.00 37.35 C ATOM 520 H LEU A 50 26.957 -20.668 -7.735 1.00 0.00 H ATOM 521 N MET A 51 25.670 -23.669 -8.854 1.00 34.72 N ATOM 522 CA MET A 51 25.254 -24.745 -9.775 1.00 37.49 C ATOM 523 C MET A 51 26.411 -25.542 -10.313 1.00 36.66 C ATOM 524 O MET A 51 26.296 -26.736 -10.530 1.00 37.93 O ATOM 525 CB MET A 51 24.558 -24.167 -11.016 1.00 40.25 C ATOM 526 CG MET A 51 23.272 -23.450 -10.747 1.00 42.62 C ATOM 527 SD MET A 51 22.686 -22.612 -12.244 1.00 43.25 S ATOM 528 CE MET A 51 22.025 -24.023 -13.092 1.00 41.15 C ATOM 529 H MET A 51 25.454 -22.686 -9.115 1.00 0.00 H ATOM 530 N ALA A 52 27.500 -24.850 -10.615 1.00 35.12 N ATOM 531 CA ALA A 52 28.706 -25.496 -11.139 1.00 36.50 C ATOM 532 C ALA A 52 29.316 -26.475 -10.141 1.00 35.16 C ATOM 533 O ALA A 52 30.004 -27.417 -10.541 1.00 37.49 O ATOM 534 CB ALA A 52 29.740 -24.438 -11.550 1.00 35.68 C ATOM 535 H ALA A 52 27.499 -23.819 -10.476 1.00 0.00 H ATOM 536 N CYS A 53 29.079 -26.268 -8.848 1.00 35.39 N ATOM 537 CA CYS A 53 29.741 -27.065 -7.792 1.00 36.47 C ATOM 538 C CYS A 53 28.858 -28.059 -7.040 1.00 36.67 C ATOM 539 O CYS A 53 29.380 -28.891 -6.350 1.00 36.80 O ATOM 540 CB CYS A 53 30.347 -26.128 -6.754 1.00 36.79 C ATOM 541 SG CYS A 53 31.591 -24.993 -7.453 1.00 37.32 S ATOM 542 H CYS A 53 28.408 -25.523 -8.571 1.00 0.00 H ATOM 543 N SER A 54 27.537 -27.921 -7.125 1.00 37.43 N ATOM 544 CA SER A 54 26.597 -28.624 -6.229 1.00 38.02 C ATOM 545 C SER A 54 25.421 -29.157 -6.997 1.00 38.17 C ATOM 546 O SER A 54 24.736 -28.391 -7.671 1.00 37.27 O ATOM 547 CB SER A 54 26.098 -27.653 -5.164 1.00 38.58 C ATOM 548 OG SER A 54 24.861 -28.026 -4.606 1.00 38.78 O ATOM 549 HG SER A 54 24.947 -28.916 -4.182 1.00 0.00 H ATOM 550 H SER A 54 27.149 -27.290 -7.855 1.00 0.00 H ATOM 551 N GLY A 55 25.175 -30.467 -6.872 1.00 39.98 N ATOM 552 CA GLY A 55 23.990 -31.125 -7.460 1.00 41.17 C ATOM 553 C GLY A 55 22.682 -30.561 -6.954 1.00 40.97 C ATOM 554 O GLY A 55 21.751 -30.377 -7.714 1.00 41.05 O ATOM 555 H GLY A 55 25.850 -31.049 -6.336 1.00 0.00 H ATOM 556 N LEU A 56 22.619 -30.216 -5.667 1.00 43.17 N ATOM 557 CA LEU A 56 21.405 -29.596 -5.123 1.00 41.71 C ATOM 558 C LEU A 56 21.124 -28.239 -5.771 1.00 40.45 C ATOM 559 O LEU A 56 20.006 -27.976 -6.200 1.00 40.58 O ATOM 560 CB LEU A 56 21.478 -29.442 -3.609 1.00 41.78 C ATOM 561 CG LEU A 56 20.231 -28.782 -2.982 1.00 44.14 C ATOM 562 CD1 LEU A 56 19.019 -29.677 -3.118 1.00 47.66 C ATOM 563 CD2 LEU A 56 20.474 -28.433 -1.533 1.00 45.23 C ATOM 564 H LEU A 56 23.435 -30.387 -5.045 1.00 0.00 H ATOM 565 N PHE A 57 22.137 -27.378 -5.848 1.00 38.42 N ATOM 566 CA PHE A 57 21.958 -26.087 -6.500 1.00 36.75 C ATOM 567 C PHE A 57 21.720 -26.191 -7.995 1.00 36.19 C ATOM 568 O PHE A 57 20.898 -25.443 -8.541 1.00 37.42 O ATOM 569 CB PHE A 57 23.087 -25.132 -6.149 1.00 36.37 C ATOM 570 CG PHE A 57 23.072 -24.701 -4.700 1.00 37.00 C ATOM 571 CD1 PHE A 57 21.953 -24.075 -4.171 1.00 37.87 C ATOM 572 CD2 PHE A 57 24.191 -24.841 -3.899 1.00 37.21 C ATOM 573 CE1 PHE A 57 21.942 -23.634 -2.864 1.00 39.55 C ATOM 574 CE2 PHE A 57 24.175 -24.410 -2.574 1.00 38.50 C ATOM 575 CZ PHE A 57 23.052 -23.815 -2.063 1.00 38.83 C ATOM 576 H PHE A 57 23.061 -27.628 -5.441 1.00 0.00 H ATOM 577 N TYR A 58 22.372 -27.134 -8.647 1.00 37.06 N ATOM 578 CA TYR A 58 22.073 -27.412 -10.051 1.00 39.32 C ATOM 579 C TYR A 58 20.591 -27.714 -10.279 1.00 41.94 C ATOM 580 O TYR A 58 19.991 -27.171 -11.208 1.00 40.52 O ATOM 581 CB TYR A 58 22.937 -28.545 -10.580 1.00 40.69 C ATOM 582 CG TYR A 58 22.638 -28.903 -12.010 1.00 42.04 C ATOM 583 CD1 TYR A 58 23.127 -28.126 -13.064 1.00 43.03 C ATOM 584 CD2 TYR A 58 21.849 -30.022 -12.315 1.00 45.23 C ATOM 585 CE1 TYR A 58 22.845 -28.454 -14.390 1.00 44.88 C ATOM 586 CE2 TYR A 58 21.542 -30.348 -13.639 1.00 47.57 C ATOM 587 CZ TYR A 58 22.051 -29.575 -14.662 1.00 48.48 C ATOM 588 OH TYR A 58 21.773 -29.907 -15.962 1.00 51.41 O ATOM 589 HH TYR A 58 22.210 -29.257 -16.568 1.00 0.00 H ATOM 590 H TYR A 58 23.106 -27.685 -8.158 1.00 0.00 H ATOM 591 N SER A 59 20.006 -28.554 -9.427 1.00 44.57 N ATOM 592 CA SER A 59 18.580 -28.931 -9.566 1.00 47.87 C ATOM 593 C SER A 59 17.641 -27.776 -9.310 1.00 46.72 C ATOM 594 O SER A 59 16.683 -27.591 -10.036 1.00 48.18 O ATOM 595 CB SER A 59 18.205 -30.061 -8.601 1.00 51.59 C ATOM 596 OG SER A 59 18.945 -31.199 -8.950 1.00 57.32 O ATOM 597 HG SER A 59 19.912 -30.997 -8.879 1.00 0.00 H ATOM 598 H SER A 59 20.563 -28.955 -8.646 1.00 0.00 H ATOM 599 N ILE A 60 17.927 -26.999 -8.277 1.00 44.17 N ATOM 600 CA ILE A 60 17.105 -25.845 -7.933 1.00 44.39 C ATOM 601 C ILE A 60 17.118 -24.848 -9.081 1.00 45.52 C ATOM 602 O ILE A 60 16.064 -24.487 -9.597 1.00 46.59 O ATOM 603 CB ILE A 60 17.607 -25.167 -6.631 1.00 43.25 C ATOM 604 CG1 ILE A 60 17.391 -26.101 -5.454 1.00 44.95 C ATOM 605 CG2 ILE A 60 16.907 -23.843 -6.383 1.00 44.47 C ATOM 606 CD1 ILE A 60 18.192 -25.701 -4.230 1.00 44.39 C ATOM 607 H ILE A 60 18.761 -27.218 -7.695 1.00 0.00 H ATOM 608 N PHE A 61 18.304 -24.442 -9.527 1.00 44.09 N ATOM 609 CA PHE A 61 18.384 -23.342 -10.484 1.00 44.02 C ATOM 610 C PHE A 61 18.117 -23.737 -11.939 1.00 45.87 C ATOM 611 O PHE A 61 18.000 -22.867 -12.773 1.00 47.58 O ATOM 612 CB PHE A 61 19.687 -22.554 -10.311 1.00 43.12 C ATOM 613 CG PHE A 61 19.841 -21.953 -8.935 1.00 43.79 C ATOM 614 CD1 PHE A 61 18.874 -21.109 -8.421 1.00 44.57 C ATOM 615 CD2 PHE A 61 20.943 -22.256 -8.146 1.00 43.26 C ATOM 616 CE1 PHE A 61 18.998 -20.586 -7.143 1.00 44.77 C ATOM 617 CE2 PHE A 61 21.079 -21.719 -6.874 1.00 44.71 C ATOM 618 CZ PHE A 61 20.097 -20.892 -6.367 1.00 43.67 C ATOM 619 H PHE A 61 19.173 -24.907 -9.195 1.00 0.00 H ATOM 620 N THR A 62 17.973 -25.024 -12.246 1.00 46.48 N ATOM 621 CA THR A 62 17.466 -25.421 -13.557 1.00 48.24 C ATOM 622 C THR A 62 15.961 -25.669 -13.531 1.00 51.55 C ATOM 623 O THR A 62 15.359 -25.947 -14.554 1.00 51.81 O ATOM 624 CB THR A 62 18.193 -26.660 -14.117 1.00 48.12 C ATOM 625 OG1 THR A 62 18.205 -27.680 -13.133 1.00 46.29 O ATOM 626 CG2 THR A 62 19.614 -26.308 -14.491 1.00 46.97 C ATOM 627 HG1 THR A 62 18.678 -27.354 -12.327 1.00 0.00 H ATOM 628 H THR A 62 18.223 -25.752 -11.547 1.00 0.00 H ATOM 629 N ASP A 63 15.345 -25.560 -12.362 1.00 53.44 N ATOM 630 CA ASP A 63 13.909 -25.701 -12.266 1.00 56.42 C ATOM 631 C ASP A 63 13.248 -24.394 -12.686 1.00 58.26 C ATOM 632 O ASP A 63 13.524 -23.340 -12.111 1.00 56.52 O ATOM 633 CB ASP A 63 13.499 -26.045 -10.847 1.00 57.64 C ATOM 634 CG ASP A 63 12.018 -26.244 -10.735 1.00 62.90 C ATOM 635 OD1 ASP A 63 11.307 -25.270 -10.408 1.00 62.90 O ATOM 636 OD2 ASP A 63 11.573 -27.348 -11.080 1.00 66.71 O ATOM 637 H ASP A 63 15.901 -25.371 -11.504 1.00 0.00 H ATOM 638 N GLN A 64 12.339 -24.482 -13.656 1.00 62.85 N ATOM 639 CA GLN A 64 11.646 -23.308 -14.207 1.00 66.23 C ATOM 640 C GLN A 64 10.959 -22.442 -13.139 1.00 64.42 C ATOM 641 O GLN A 64 10.921 -21.219 -13.247 1.00 63.73 O ATOM 642 CB GLN A 64 10.627 -23.750 -15.263 1.00 71.60 C ATOM 643 CG GLN A 64 11.249 -24.334 -16.542 1.00 75.22 C ATOM 644 CD GLN A 64 10.226 -25.020 -17.456 1.00 81.88 C ATOM 645 OE1 GLN A 64 10.230 -24.816 -18.677 1.00 87.34 O ATOM 646 NE2 GLN A 64 9.338 -25.830 -16.868 1.00 84.36 N ATOM 647 HE22 GLN A 64 9.368 -25.975 -15.839 1.00 0.00 H ATOM 648 HE21 GLN A 64 8.618 -26.315 -17.440 1.00 0.00 H ATOM 649 H GLN A 64 12.110 -25.421 -14.040 1.00 0.00 H ATOM 650 N LEU A 65 10.453 -23.076 -12.089 1.00 63.23 N ATOM 651 CA LEU A 65 9.839 -22.351 -10.983 1.00 63.12 C ATOM 652 C LEU A 65 10.886 -21.730 -10.055 1.00 60.71 C ATOM 653 O LEU A 65 10.811 -20.560 -9.721 1.00 60.56 O ATOM 654 CB LEU A 65 8.923 -23.302 -10.215 1.00 64.83 C ATOM 655 CG LEU A 65 7.850 -22.776 -9.274 1.00 67.98 C ATOM 656 CD1 LEU A 65 6.879 -21.836 -9.966 1.00 69.45 C ATOM 657 CD2 LEU A 65 7.104 -23.970 -8.674 1.00 69.72 C ATOM 658 H LEU A 65 10.495 -24.115 -12.054 1.00 0.00 H ATOM 659 N LYS A 66 11.859 -22.518 -9.621 1.00 60.18 N ATOM 660 CA LYS A 66 12.770 -22.078 -8.551 1.00 60.60 C ATOM 661 C LYS A 66 13.925 -21.197 -9.016 1.00 60.43 C ATOM 662 O LYS A 66 14.506 -20.470 -8.197 1.00 59.42 O ATOM 663 CB LYS A 66 13.338 -23.279 -7.808 1.00 59.82 C ATOM 664 CG LYS A 66 12.301 -24.185 -7.163 1.00 63.39 C ATOM 665 CD LYS A 66 12.953 -25.485 -6.722 1.00 64.28 C ATOM 666 CE LYS A 66 11.960 -26.445 -6.103 1.00 69.50 C ATOM 667 NZ LYS A 66 12.116 -27.808 -6.692 1.00 72.45 N ATOM 668 HZ1 LYS A 66 11.949 -27.762 -7.718 1.00 0.00 H ATOM 669 HZ2 LYS A 66 13.080 -28.154 -6.511 1.00 0.00 H ATOM 670 HZ3 LYS A 66 11.427 -28.454 -6.256 1.00 0.00 H ATOM 671 H LYS A 66 11.981 -23.461 -10.042 1.00 0.00 H ATOM 672 N CYS A 67 14.245 -21.236 -10.313 1.00 60.25 N ATOM 673 CA CYS A 67 15.387 -20.485 -10.862 1.00 61.13 C ATOM 674 C CYS A 67 15.349 -18.962 -10.653 1.00 62.69 C ATOM 675 O CYS A 67 16.394 -18.309 -10.741 1.00 61.21 O ATOM 676 CB CYS A 67 15.581 -20.789 -12.351 1.00 60.41 C ATOM 677 SG CYS A 67 14.339 -20.082 -13.440 1.00 65.26 S ATOM 678 H CYS A 67 13.669 -21.816 -10.956 1.00 0.00 H ATOM 679 N ASN A 68 14.163 -18.423 -10.380 1.00 64.78 N ATOM 680 CA ASN A 68 13.954 -16.999 -10.129 1.00 67.88 C ATOM 681 C ASN A 68 13.989 -16.593 -8.656 1.00 66.96 C ATOM 682 O ASN A 68 13.893 -15.404 -8.350 1.00 69.19 O ATOM 683 CB ASN A 68 12.597 -16.571 -10.710 1.00 71.75 C ATOM 684 CG ASN A 68 12.592 -16.549 -12.227 1.00 72.12 C ATOM 685 OD1 ASN A 68 13.580 -16.181 -12.859 1.00 74.40 O ATOM 686 ND2 ASN A 68 11.475 -16.934 -12.815 1.00 75.76 N ATOM 687 HD22 ASN A 68 10.663 -17.238 -12.241 1.00 0.00 H ATOM 688 HD21 ASN A 68 11.407 -16.934 -13.853 1.00 0.00 H ATOM 689 H ASN A 68 13.336 -19.053 -10.343 1.00 0.00 H ATOM 690 N LEU A 69 14.091 -17.554 -7.742 1.00 64.12 N ATOM 691 CA LEU A 69 14.139 -17.219 -6.334 1.00 61.45 C ATOM 692 C LEU A 69 15.459 -16.508 -6.083 1.00 57.35 C ATOM 693 O LEU A 69 16.506 -16.933 -6.595 1.00 57.41 O ATOM 694 CB LEU A 69 14.011 -18.470 -5.457 1.00 63.10 C ATOM 695 CG LEU A 69 12.665 -19.216 -5.450 1.00 66.00 C ATOM 696 CD1 LEU A 69 12.788 -20.455 -4.584 1.00 66.81 C ATOM 697 CD2 LEU A 69 11.507 -18.362 -4.950 1.00 68.61 C ATOM 698 H LEU A 69 14.136 -18.549 -8.040 1.00 0.00 H ATOM 699 N SER A 70 15.409 -15.419 -5.324 1.00 55.35 N ATOM 700 CA SER A 70 16.626 -14.730 -4.900 1.00 55.00 C ATOM 701 C SER A 70 17.017 -15.061 -3.443 1.00 52.68 C ATOM 702 O SER A 70 18.056 -14.596 -2.968 1.00 49.63 O ATOM 703 CB SER A 70 16.487 -13.225 -5.131 1.00 56.99 C ATOM 704 OG SER A 70 15.547 -12.671 -4.240 1.00 61.50 O ATOM 705 HG SER A 70 15.471 -11.698 -4.405 1.00 0.00 H ATOM 706 H SER A 70 14.484 -15.049 -5.025 1.00 0.00 H ATOM 707 N VAL A 71 16.192 -15.850 -2.741 1.00 52.48 N ATOM 708 CA VAL A 71 16.509 -16.318 -1.374 1.00 52.69 C ATOM 709 C VAL A 71 16.278 -17.831 -1.344 1.00 53.14 C ATOM 710 O VAL A 71 15.235 -18.286 -1.775 1.00 53.57 O ATOM 711 CB VAL A 71 15.629 -15.653 -0.291 1.00 54.61 C ATOM 712 CG1 VAL A 71 16.065 -16.102 1.106 1.00 54.62 C ATOM 713 CG2 VAL A 71 15.663 -14.130 -0.389 1.00 55.46 C ATOM 714 H VAL A 71 15.294 -16.145 -3.174 1.00 0.00 H ATOM 715 N ILE A 72 17.253 -18.602 -0.862 1.00 50.84 N ATOM 716 CA ILE A 72 17.108 -20.050 -0.737 1.00 49.11 C ATOM 717 C ILE A 72 17.417 -20.427 0.702 1.00 49.07 C ATOM 718 O ILE A 72 18.514 -20.157 1.206 1.00 47.66 O ATOM 719 CB ILE A 72 18.041 -20.806 -1.699 1.00 48.12 C ATOM 720 CG1 ILE A 72 17.753 -20.419 -3.163 1.00 48.72 C ATOM 721 CG2 ILE A 72 17.965 -22.318 -1.501 1.00 48.36 C ATOM 722 CD1 ILE A 72 16.408 -20.842 -3.734 1.00 49.64 C ATOM 723 H ILE A 72 18.146 -18.158 -0.565 1.00 0.00 H ATOM 724 N ASN A 73 16.447 -21.049 1.364 1.00 47.82 N ATOM 725 CA ASN A 73 16.653 -21.576 2.715 1.00 49.28 C ATOM 726 C ASN A 73 17.138 -23.021 2.646 1.00 45.97 C ATOM 727 O ASN A 73 16.624 -23.814 1.857 1.00 46.95 O ATOM 728 CB ASN A 73 15.365 -21.479 3.520 1.00 52.89 C ATOM 729 CG ASN A 73 14.870 -20.057 3.613 1.00 57.25 C ATOM 730 OD1 ASN A 73 15.319 -19.296 4.465 1.00 60.20 O ATOM 731 ND2 ASN A 73 13.984 -19.674 2.695 1.00 58.87 N ATOM 732 HD22 ASN A 73 13.633 -20.357 1.994 1.00 0.00 H ATOM 733 HD21 ASN A 73 13.643 -18.692 2.680 1.00 0.00 H ATOM 734 H ASN A 73 15.518 -21.165 0.911 1.00 0.00 H ATOM 735 N LEU A 74 18.165 -23.334 3.429 1.00 44.33 N ATOM 736 CA LEU A 74 18.614 -24.710 3.587 1.00 44.68 C ATOM 737 C LEU A 74 18.001 -25.308 4.860 1.00 44.27 C ATOM 738 O LEU A 74 17.465 -24.599 5.715 1.00 44.14 O ATOM 739 CB LEU A 74 20.136 -24.790 3.636 1.00 45.43 C ATOM 740 CG LEU A 74 20.872 -24.154 2.452 1.00 45.58 C ATOM 741 CD1 LEU A 74 22.344 -24.518 2.554 1.00 46.67 C ATOM 742 CD2 LEU A 74 20.269 -24.617 1.144 1.00 45.91 C ATOM 743 H LEU A 74 18.661 -22.577 3.942 1.00 0.00 H ATOM 744 N ASP A 75 18.064 -26.627 4.947 1.00 44.31 N ATOM 745 CA ASP A 75 17.648 -27.363 6.152 1.00 45.19 C ATOM 746 C ASP A 75 18.217 -26.660 7.397 1.00 45.76 C ATOM 747 O ASP A 75 19.443 -26.504 7.494 1.00 43.95 O ATOM 748 CB ASP A 75 18.200 -28.773 6.027 1.00 46.13 C ATOM 749 CG ASP A 75 17.787 -29.683 7.141 1.00 50.19 C ATOM 750 OD1 ASP A 75 17.454 -29.230 8.252 1.00 52.55 O ATOM 751 OD2 ASP A 75 17.782 -30.891 6.874 1.00 53.67 O ATOM 752 H ASP A 75 18.422 -27.165 4.132 1.00 0.00 H ATOM 753 N PRO A 76 17.348 -26.245 8.355 1.00 47.41 N ATOM 754 CA PRO A 76 17.861 -25.538 9.536 1.00 48.59 C ATOM 755 C PRO A 76 18.770 -26.352 10.454 1.00 49.06 C ATOM 756 O PRO A 76 19.322 -25.780 11.379 1.00 50.81 O ATOM 757 CB PRO A 76 16.579 -25.144 10.288 1.00 51.87 C ATOM 758 CG PRO A 76 15.613 -26.221 9.937 1.00 52.08 C ATOM 759 CD PRO A 76 15.886 -26.432 8.459 1.00 49.64 C ATOM 760 N GLU A 77 18.889 -27.665 10.246 1.00 48.48 N ATOM 761 CA GLU A 77 19.880 -28.456 10.960 1.00 50.42 C ATOM 762 C GLU A 77 21.263 -28.413 10.338 1.00 49.79 C ATOM 763 O GLU A 77 22.201 -28.909 10.933 1.00 50.97 O ATOM 764 CB GLU A 77 19.442 -29.913 11.076 1.00 53.67 C ATOM 765 CG GLU A 77 18.127 -30.088 11.789 1.00 56.16 C ATOM 766 CD GLU A 77 17.756 -31.543 11.970 1.00 60.97 C ATOM 767 OE1 GLU A 77 18.621 -32.434 11.777 1.00 65.40 O ATOM 768 OE2 GLU A 77 16.597 -31.788 12.327 1.00 60.79 O ATOM 769 H GLU A 77 18.261 -28.132 9.560 1.00 0.00 H ATOM 770 N ILE A 78 21.406 -27.840 9.144 1.00 48.03 N ATOM 771 CA ILE A 78 22.738 -27.675 8.545 1.00 48.40 C ATOM 772 C ILE A 78 23.567 -26.718 9.386 1.00 48.70 C ATOM 773 O ILE A 78 23.095 -25.642 9.753 1.00 48.11 O ATOM 774 CB ILE A 78 22.655 -27.148 7.099 1.00 46.65 C ATOM 775 CG1 ILE A 78 22.050 -28.226 6.189 1.00 48.52 C ATOM 776 CG2 ILE A 78 24.019 -26.700 6.554 1.00 45.64 C ATOM 777 CD1 ILE A 78 22.788 -29.551 6.202 1.00 50.44 C ATOM 778 H ILE A 78 20.566 -27.506 8.630 1.00 0.00 H ATOM 779 N ASN A 79 24.799 -27.135 9.657 1.00 49.89 N ATOM 780 CA ASN A 79 25.785 -26.319 10.343 1.00 51.16 C ATOM 781 C ASN A 79 26.265 -25.192 9.407 1.00 50.92 C ATOM 782 O ASN A 79 26.833 -25.473 8.364 1.00 47.90 O ATOM 783 CB ASN A 79 26.954 -27.216 10.786 1.00 51.59 C ATOM 784 CG ASN A 79 27.977 -26.478 11.626 1.00 54.57 C ATOM 785 OD1 ASN A 79 28.302 -25.322 11.361 1.00 54.89 O ATOM 786 ND2 ASN A 79 28.515 -27.155 12.631 1.00 54.96 N ATOM 787 HD22 ASN A 79 28.212 -28.131 12.821 1.00 0.00 H ATOM 788 HD21 ASN A 79 29.240 -26.710 13.229 1.00 0.00 H ATOM 789 H ASN A 79 25.071 -28.095 9.363 1.00 0.00 H ATOM 790 N PRO A 80 26.066 -23.917 9.794 1.00 52.46 N ATOM 791 CA PRO A 80 26.520 -22.801 8.972 1.00 50.86 C ATOM 792 C PRO A 80 28.018 -22.736 8.704 1.00 50.59 C ATOM 793 O PRO A 80 28.399 -22.280 7.621 1.00 46.38 O ATOM 794 CB PRO A 80 26.106 -21.561 9.774 1.00 53.82 C ATOM 795 CG PRO A 80 25.030 -22.023 10.654 1.00 54.48 C ATOM 796 CD PRO A 80 25.347 -23.443 10.990 1.00 54.52 C ATOM 797 N GLU A 81 28.850 -23.169 9.656 1.00 49.18 N ATOM 798 CA GLU A 81 30.302 -23.245 9.423 1.00 51.35 C ATOM 799 C GLU A 81 30.606 -24.280 8.341 1.00 47.24 C ATOM 800 O GLU A 81 31.488 -24.063 7.504 1.00 43.38 O ATOM 801 CB GLU A 81 31.117 -23.568 10.696 1.00 56.32 C ATOM 802 CG GLU A 81 32.595 -23.139 10.562 1.00 61.91 C ATOM 803 CD GLU A 81 33.543 -23.849 11.528 1.00 69.15 C ATOM 804 OE1 GLU A 81 33.103 -24.276 12.613 1.00 75.81 O ATOM 805 OE2 GLU A 81 34.750 -23.973 11.214 1.00 78.33 O ATOM 806 H GLU A 81 28.465 -23.457 10.578 1.00 0.00 H ATOM 807 N GLY A 82 29.889 -25.403 8.383 1.00 44.82 N ATOM 808 CA GLY A 82 29.976 -26.430 7.336 1.00 44.51 C ATOM 809 C GLY A 82 29.665 -25.827 5.981 1.00 42.81 C ATOM 810 O GLY A 82 30.420 -26.033 5.016 1.00 42.51 O ATOM 811 H GLY A 82 29.245 -25.558 9.185 1.00 0.00 H ATOM 812 N PHE A 83 28.577 -25.045 5.911 1.00 42.61 N ATOM 813 CA PHE A 83 28.214 -24.375 4.673 1.00 41.35 C ATOM 814 C PHE A 83 29.290 -23.374 4.225 1.00 41.69 C ATOM 815 O PHE A 83 29.678 -23.341 3.039 1.00 38.44 O ATOM 816 CB PHE A 83 26.850 -23.681 4.740 1.00 41.58 C ATOM 817 CG PHE A 83 26.433 -23.107 3.410 1.00 40.49 C ATOM 818 CD1 PHE A 83 26.015 -23.948 2.396 1.00 40.10 C ATOM 819 CD2 PHE A 83 26.564 -21.760 3.145 1.00 40.15 C ATOM 820 CE1 PHE A 83 25.707 -23.447 1.130 1.00 40.82 C ATOM 821 CE2 PHE A 83 26.254 -21.245 1.886 1.00 41.22 C ATOM 822 CZ PHE A 83 25.817 -22.093 0.886 1.00 40.04 C ATOM 823 H PHE A 83 27.984 -24.916 6.756 1.00 0.00 H ATOM 824 N CYS A 84 29.738 -22.547 5.159 1.00 42.53 N ATOM 825 CA CYS A 84 30.747 -21.513 4.880 1.00 44.96 C ATOM 826 C CYS A 84 32.029 -22.123 4.299 1.00 43.12 C ATOM 827 O CYS A 84 32.554 -21.636 3.303 1.00 40.01 O ATOM 828 CB CYS A 84 31.057 -20.710 6.141 1.00 48.39 C ATOM 829 SG CYS A 84 32.170 -19.334 5.877 1.00 53.94 S ATOM 830 H CYS A 84 29.362 -22.632 6.125 1.00 0.00 H ATOM 831 N ILE A 85 32.479 -23.223 4.892 1.00 42.42 N ATOM 832 CA ILE A 85 33.658 -23.955 4.406 1.00 42.87 C ATOM 833 C ILE A 85 33.489 -24.461 2.958 1.00 41.32 C ATOM 834 O ILE A 85 34.419 -24.338 2.136 1.00 38.22 O ATOM 835 CB ILE A 85 33.994 -25.118 5.364 1.00 44.25 C ATOM 836 CG1 ILE A 85 34.563 -24.537 6.671 1.00 46.11 C ATOM 837 CG2 ILE A 85 34.964 -26.135 4.750 1.00 44.42 C ATOM 838 CD1 ILE A 85 34.487 -25.497 7.818 1.00 48.34 C ATOM 839 H ILE A 85 31.979 -23.580 5.731 1.00 0.00 H ATOM 840 N LEU A 86 32.327 -25.045 2.672 1.00 37.90 N ATOM 841 CA LEU A 86 32.027 -25.528 1.323 1.00 38.21 C ATOM 842 C LEU A 86 31.852 -24.405 0.292 1.00 37.41 C ATOM 843 O LEU A 86 32.281 -24.549 -0.857 1.00 36.47 O ATOM 844 CB LEU A 86 30.815 -26.457 1.325 1.00 39.37 C ATOM 845 CG LEU A 86 31.148 -27.781 2.047 1.00 41.54 C ATOM 846 CD1 LEU A 86 29.859 -28.542 2.307 1.00 41.78 C ATOM 847 CD2 LEU A 86 32.091 -28.597 1.176 1.00 42.57 C ATOM 848 H LEU A 86 31.617 -25.160 3.423 1.00 0.00 H ATOM 849 N LEU A 87 31.260 -23.296 0.708 1.00 37.14 N ATOM 850 CA LEU A 87 31.124 -22.139 -0.156 1.00 37.21 C ATOM 851 C LEU A 87 32.501 -21.532 -0.500 1.00 37.98 C ATOM 852 O LEU A 87 32.770 -21.208 -1.662 1.00 35.10 O ATOM 853 CB LEU A 87 30.223 -21.099 0.488 1.00 37.82 C ATOM 854 CG LEU A 87 29.902 -19.883 -0.368 1.00 38.60 C ATOM 855 CD1 LEU A 87 29.140 -20.281 -1.638 1.00 38.44 C ATOM 856 CD2 LEU A 87 29.083 -18.922 0.486 1.00 40.78 C ATOM 857 H LEU A 87 30.884 -23.254 1.677 1.00 0.00 H ATOM 858 N ASP A 88 33.368 -21.412 0.497 1.00 37.93 N ATOM 859 CA ASP A 88 34.749 -21.002 0.265 1.00 41.44 C ATOM 860 C ASP A 88 35.464 -21.956 -0.671 1.00 39.31 C ATOM 861 O ASP A 88 36.189 -21.493 -1.579 1.00 40.74 O ATOM 862 CB ASP A 88 35.552 -20.890 1.574 1.00 45.86 C ATOM 863 CG ASP A 88 35.229 -19.628 2.360 1.00 53.20 C ATOM 864 OD1 ASP A 88 34.676 -18.659 1.776 1.00 56.84 O ATOM 865 OD2 ASP A 88 35.547 -19.587 3.583 1.00 58.58 O ATOM 866 H ASP A 88 33.056 -21.615 1.468 1.00 0.00 H ATOM 867 N PHE A 89 35.266 -23.262 -0.459 1.00 36.27 N ATOM 868 CA PHE A 89 35.792 -24.273 -1.378 1.00 36.45 C ATOM 869 C PHE A 89 35.333 -24.034 -2.822 1.00 35.58 C ATOM 870 O PHE A 89 36.153 -24.082 -3.754 1.00 34.75 O ATOM 871 CB PHE A 89 35.427 -25.691 -0.949 1.00 36.85 C ATOM 872 CG PHE A 89 35.634 -26.702 -2.024 1.00 37.11 C ATOM 873 CD1 PHE A 89 36.920 -27.073 -2.389 1.00 38.48 C ATOM 874 CD2 PHE A 89 34.562 -27.199 -2.747 1.00 36.76 C ATOM 875 CE1 PHE A 89 37.128 -27.966 -3.426 1.00 39.18 C ATOM 876 CE2 PHE A 89 34.754 -28.093 -3.790 1.00 38.30 C ATOM 877 CZ PHE A 89 36.036 -28.488 -4.120 1.00 39.35 C ATOM 878 H PHE A 89 34.727 -23.566 0.377 1.00 0.00 H ATOM 879 N MET A 90 34.032 -23.793 -3.006 1.00 34.35 N ATOM 880 CA MET A 90 33.481 -23.552 -4.336 1.00 33.42 C ATOM 881 C MET A 90 34.230 -22.437 -5.075 1.00 33.67 C ATOM 882 O MET A 90 34.490 -22.536 -6.289 1.00 32.84 O ATOM 883 CB MET A 90 32.014 -23.166 -4.266 1.00 34.37 C ATOM 884 CG MET A 90 31.090 -24.268 -3.809 1.00 35.71 C ATOM 885 SD MET A 90 29.378 -23.732 -3.858 1.00 37.06 S ATOM 886 CE MET A 90 28.626 -25.049 -2.903 1.00 40.08 C ATOM 887 H MET A 90 33.397 -23.777 -2.183 1.00 0.00 H ATOM 888 N TYR A 91 34.548 -21.381 -4.327 1.00 33.27 N ATOM 889 CA TYR A 91 35.160 -20.183 -4.871 1.00 33.98 C ATOM 890 C TYR A 91 36.701 -20.162 -4.845 1.00 34.40 C ATOM 891 O TYR A 91 37.311 -19.181 -5.310 1.00 36.27 O ATOM 892 CB TYR A 91 34.613 -18.975 -4.134 1.00 34.04 C ATOM 893 CG TYR A 91 33.276 -18.455 -4.623 1.00 33.97 C ATOM 894 CD1 TYR A 91 33.209 -17.473 -5.610 1.00 33.52 C ATOM 895 CD2 TYR A 91 32.081 -18.916 -4.082 1.00 33.68 C ATOM 896 CE1 TYR A 91 31.996 -16.980 -6.049 1.00 33.08 C ATOM 897 CE2 TYR A 91 30.866 -18.426 -4.517 1.00 33.64 C ATOM 898 CZ TYR A 91 30.833 -17.426 -5.473 1.00 34.06 C ATOM 899 OH TYR A 91 29.627 -16.929 -5.877 1.00 34.75 O ATOM 900 HH TYR A 91 29.773 -16.226 -6.559 1.00 0.00 H ATOM 901 H TYR A 91 34.348 -21.417 -3.307 1.00 0.00 H ATOM 902 N THR A 92 37.331 -21.206 -4.322 1.00 34.80 N ATOM 903 CA THR A 92 38.808 -21.229 -4.168 1.00 36.91 C ATOM 904 C THR A 92 39.523 -22.537 -4.533 1.00 37.06 C ATOM 905 O THR A 92 40.737 -22.506 -4.702 1.00 39.22 O ATOM 906 CB THR A 92 39.266 -20.887 -2.720 1.00 37.96 C ATOM 907 OG1 THR A 92 38.829 -21.907 -1.818 1.00 37.49 O ATOM 908 CG2 THR A 92 38.746 -19.539 -2.235 1.00 39.15 C ATOM 909 HG1 THR A 92 37.841 -21.967 -1.843 1.00 0.00 H ATOM 910 H THR A 92 36.776 -22.029 -4.012 1.00 0.00 H ATOM 911 N SER A 93 38.808 -23.668 -4.585 1.00 35.83 N ATOM 912 CA SER A 93 39.396 -24.999 -4.696 1.00 37.68 C ATOM 913 C SER A 93 40.034 -25.516 -3.392 1.00 39.20 C ATOM 914 O SER A 93 40.546 -26.610 -3.387 1.00 39.67 O ATOM 915 CB SER A 93 40.447 -25.084 -5.842 1.00 40.67 C ATOM 916 OG SER A 93 39.958 -24.514 -7.059 1.00 39.86 O ATOM 917 HG SER A 93 40.654 -24.588 -7.760 1.00 0.00 H ATOM 918 H SER A 93 37.771 -23.593 -4.544 1.00 0.00 H ATOM 919 N ARG A 94 39.994 -24.744 -2.306 1.00 40.65 N ATOM 920 CA ARG A 94 40.654 -25.119 -1.058 1.00 44.13 C ATOM 921 C ARG A 94 39.600 -25.526 -0.034 1.00 43.49 C ATOM 922 O ARG A 94 38.630 -24.794 0.189 1.00 40.77 O ATOM 923 CB ARG A 94 41.505 -23.957 -0.544 1.00 50.35 C ATOM 924 CG ARG A 94 42.792 -23.806 -1.343 1.00 57.42 C ATOM 925 CD ARG A 94 43.195 -22.370 -1.665 1.00 63.67 C ATOM 926 NE ARG A 94 43.694 -22.364 -3.046 1.00 71.84 N ATOM 927 CZ ARG A 94 43.510 -21.414 -3.968 1.00 71.73 C ATOM 928 NH1 ARG A 94 44.010 -21.611 -5.185 1.00 75.79 N ATOM 929 NH2 ARG A 94 42.857 -20.277 -3.707 1.00 74.55 N ATOM 930 HE ARG A 94 44.253 -23.191 -3.339 1.00 0.00 H ATOM 931 HH12 ARG A 94 43.882 -20.889 -5.923 1.00 0.00 H ATOM 932 HH11 ARG A 94 44.528 -22.487 -5.399 1.00 0.00 H ATOM 933 HH22 ARG A 94 42.736 -19.564 -4.454 1.00 0.00 H ATOM 934 HH21 ARG A 94 42.470 -20.106 -2.757 1.00 0.00 H ATOM 935 H ARG A 94 39.475 -23.844 -2.349 1.00 0.00 H ATOM 936 N LEU A 95 39.773 -26.713 0.544 1.00 42.93 N ATOM 937 CA LEU A 95 38.815 -27.291 1.492 1.00 43.42 C ATOM 938 C LEU A 95 39.502 -27.355 2.853 1.00 47.17 C ATOM 939 O LEU A 95 40.476 -28.092 3.018 1.00 47.83 O ATOM 940 CB LEU A 95 38.393 -28.688 1.048 1.00 43.65 C ATOM 941 CG LEU A 95 37.317 -29.369 1.922 1.00 44.07 C ATOM 942 CD1 LEU A 95 35.956 -28.709 1.748 1.00 43.42 C ATOM 943 CD2 LEU A 95 37.224 -30.832 1.567 1.00 44.33 C ATOM 944 H LEU A 95 40.629 -27.256 0.312 1.00 0.00 H ATOM 945 N ASN A 96 39.016 -26.558 3.795 1.00 49.02 N ATOM 946 CA ASN A 96 39.628 -26.449 5.087 1.00 52.98 C ATOM 947 C ASN A 96 39.027 -27.509 6.030 1.00 53.76 C ATOM 948 O ASN A 96 38.131 -27.219 6.823 1.00 54.55 O ATOM 949 CB ASN A 96 39.462 -25.022 5.642 1.00 55.15 C ATOM 950 CG ASN A 96 40.171 -24.844 6.985 1.00 60.83 C ATOM 951 OD1 ASN A 96 41.162 -25.520 7.260 1.00 62.67 O ATOM 952 ND2 ASN A 96 39.639 -23.976 7.838 1.00 62.66 N ATOM 953 HD22 ASN A 96 38.801 -23.425 7.564 1.00 0.00 H ATOM 954 HD21 ASN A 96 40.061 -23.847 8.780 1.00 0.00 H ATOM 955 H ASN A 96 38.166 -25.995 3.590 1.00 0.00 H ATOM 956 N LEU A 97 39.498 -28.746 5.906 1.00 54.59 N ATOM 957 CA LEU A 97 39.031 -29.830 6.773 1.00 57.86 C ATOM 958 C LEU A 97 39.843 -29.829 8.057 1.00 59.41 C ATOM 959 O LEU A 97 41.061 -29.690 7.995 1.00 58.73 O ATOM 960 CB LEU A 97 39.201 -31.203 6.111 1.00 60.52 C ATOM 961 CG LEU A 97 38.218 -31.714 5.067 1.00 61.47 C ATOM 962 CD1 LEU A 97 38.498 -33.191 4.817 1.00 62.52 C ATOM 963 CD2 LEU A 97 36.771 -31.510 5.501 1.00 61.80 C ATOM 964 H LEU A 97 40.213 -28.948 5.178 1.00 0.00 H ATOM 965 N ARG A 98 39.162 -30.019 9.191 1.00 60.77 N ATOM 966 CA ARG A 98 39.783 -30.174 10.527 1.00 64.37 C ATOM 967 C ARG A 98 39.079 -31.310 11.263 1.00 62.35 C ATOM 968 O ARG A 98 37.898 -31.585 11.007 1.00 56.61 O ATOM 969 CB ARG A 98 39.558 -28.943 11.403 1.00 69.88 C ATOM 970 CG ARG A 98 40.137 -27.624 10.933 1.00 75.38 C ATOM 971 CD ARG A 98 39.957 -26.586 12.045 1.00 82.00 C ATOM 972 NE ARG A 98 39.948 -25.215 11.523 1.00 87.86 N ATOM 973 CZ ARG A 98 38.865 -24.508 11.170 1.00 89.72 C ATOM 974 NH1 ARG A 98 39.032 -23.267 10.711 1.00 89.69 N ATOM 975 NH2 ARG A 98 37.620 -25.007 11.268 1.00 91.75 N ATOM 976 HE ARG A 98 40.870 -24.747 11.417 1.00 0.00 H ATOM 977 HH12 ARG A 98 38.206 -22.700 10.431 1.00 0.00 H ATOM 978 HH11 ARG A 98 39.988 -22.866 10.633 1.00 0.00 H ATOM 979 HH22 ARG A 98 36.804 -24.428 10.984 1.00 0.00 H ATOM 980 HH21 ARG A 98 37.473 -25.972 11.628 1.00 0.00 H ATOM 981 H ARG A 98 38.125 -30.061 9.132 1.00 0.00 H ATOM 982 N GLU A 99 39.762 -31.906 12.236 1.00 61.70 N ATOM 983 CA GLU A 99 39.127 -32.881 13.102 1.00 63.46 C ATOM 984 C GLU A 99 37.787 -32.357 13.658 1.00 60.85 C ATOM 985 O GLU A 99 36.789 -33.079 13.650 1.00 58.72 O ATOM 986 CB GLU A 99 40.046 -33.288 14.266 1.00 67.74 C ATOM 987 CG GLU A 99 39.623 -34.603 14.895 1.00 71.20 C ATOM 988 CD GLU A 99 40.484 -35.019 16.061 1.00 77.94 C ATOM 989 OE1 GLU A 99 41.144 -34.145 16.681 1.00 81.20 O ATOM 990 OE2 GLU A 99 40.487 -36.233 16.383 1.00 84.41 O ATOM 991 H GLU A 99 40.765 -31.670 12.378 1.00 0.00 H ATOM 992 N GLY A 100 37.774 -31.099 14.102 1.00 60.50 N ATOM 993 CA GLY A 100 36.598 -30.504 14.745 1.00 61.35 C ATOM 994 C GLY A 100 35.434 -30.111 13.845 1.00 59.22 C ATOM 995 O GLY A 100 34.353 -29.833 14.360 1.00 59.55 O ATOM 996 H GLY A 100 38.630 -30.519 13.988 1.00 0.00 H ATOM 997 N ASN A 101 35.654 -30.043 12.527 1.00 58.66 N ATOM 998 CA ASN A 101 34.600 -29.698 11.557 1.00 56.26 C ATOM 999 C ASN A 101 34.253 -30.789 10.522 1.00 54.94 C ATOM 1000 O ASN A 101 33.241 -30.663 9.827 1.00 54.42 O ATOM 1001 CB ASN A 101 34.940 -28.364 10.859 1.00 54.99 C ATOM 1002 CG ASN A 101 36.034 -28.482 9.800 1.00 55.04 C ATOM 1003 OD1 ASN A 101 36.296 -29.550 9.238 1.00 54.72 O ATOM 1004 ND2 ASN A 101 36.673 -27.356 9.506 1.00 56.78 N ATOM 1005 HD22 ASN A 101 36.427 -26.474 9.999 1.00 0.00 H ATOM 1006 HD21 ASN A 101 37.420 -27.356 8.782 1.00 0.00 H ATOM 1007 H ASN A 101 36.611 -30.242 12.172 1.00 0.00 H ATOM 1008 N ILE A 102 35.064 -31.840 10.404 1.00 54.15 N ATOM 1009 CA ILE A 102 34.907 -32.792 9.285 1.00 53.13 C ATOM 1010 C ILE A 102 33.523 -33.448 9.173 1.00 52.52 C ATOM 1011 O ILE A 102 33.017 -33.640 8.060 1.00 50.63 O ATOM 1012 CB ILE A 102 36.030 -33.864 9.226 1.00 54.72 C ATOM 1013 CG1 ILE A 102 35.889 -34.706 7.952 1.00 53.82 C ATOM 1014 CG2 ILE A 102 36.072 -34.749 10.473 1.00 57.80 C ATOM 1015 CD1 ILE A 102 37.113 -35.495 7.582 1.00 56.73 C ATOM 1016 H ILE A 102 35.815 -31.992 11.107 1.00 0.00 H ATOM 1017 N MET A 103 32.910 -33.793 10.301 1.00 53.35 N ATOM 1018 CA MET A 103 31.585 -34.434 10.267 1.00 54.62 C ATOM 1019 C MET A 103 30.490 -33.475 9.766 1.00 51.66 C ATOM 1020 O MET A 103 29.630 -33.867 8.981 1.00 49.10 O ATOM 1021 CB MET A 103 31.226 -35.021 11.642 1.00 58.35 C ATOM 1022 CG MET A 103 32.174 -36.113 12.130 1.00 64.10 C ATOM 1023 SD MET A 103 32.343 -37.562 11.059 1.00 69.57 S ATOM 1024 CE MET A 103 30.693 -38.254 11.153 1.00 71.01 C ATOM 1025 H MET A 103 33.370 -33.609 11.215 1.00 0.00 H ATOM 1026 N ALA A 104 30.528 -32.222 10.216 1.00 51.67 N ATOM 1027 CA ALA A 104 29.586 -31.198 9.738 1.00 50.64 C ATOM 1028 C ALA A 104 29.804 -30.891 8.257 1.00 50.28 C ATOM 1029 O ALA A 104 28.840 -30.716 7.522 1.00 50.27 O ATOM 1030 CB ALA A 104 29.725 -29.922 10.547 1.00 50.99 C ATOM 1031 H ALA A 104 31.243 -31.960 10.924 1.00 0.00 H ATOM 1032 N VAL A 105 31.069 -30.816 7.837 1.00 48.60 N ATOM 1033 CA VAL A 105 31.393 -30.607 6.429 1.00 47.64 C ATOM 1034 C VAL A 105 30.917 -31.770 5.572 1.00 46.87 C ATOM 1035 O VAL A 105 30.323 -31.557 4.504 1.00 45.61 O ATOM 1036 CB VAL A 105 32.895 -30.369 6.184 1.00 47.60 C ATOM 1037 CG1 VAL A 105 33.198 -30.365 4.687 1.00 45.85 C ATOM 1038 CG2 VAL A 105 33.346 -29.052 6.828 1.00 48.11 C ATOM 1039 H VAL A 105 31.841 -30.909 8.528 1.00 0.00 H ATOM 1040 N MET A 106 31.197 -32.992 6.004 1.00 48.17 N ATOM 1041 CA MET A 106 30.722 -34.158 5.258 1.00 50.43 C ATOM 1042 C MET A 106 29.187 -34.189 5.155 1.00 48.86 C ATOM 1043 O MET A 106 28.646 -34.459 4.092 1.00 47.39 O ATOM 1044 CB MET A 106 31.219 -35.462 5.878 1.00 55.18 C ATOM 1045 CG MET A 106 30.972 -36.675 4.988 1.00 58.31 C ATOM 1046 SD MET A 106 31.570 -38.208 5.712 1.00 66.07 S ATOM 1047 CE MET A 106 31.116 -39.342 4.404 1.00 67.76 C ATOM 1048 H MET A 106 31.754 -33.122 6.873 1.00 0.00 H ATOM 1049 N ALA A 107 28.492 -33.914 6.250 1.00 49.71 N ATOM 1050 CA ALA A 107 27.006 -33.934 6.226 1.00 49.04 C ATOM 1051 C ALA A 107 26.469 -32.856 5.288 1.00 46.65 C ATOM 1052 O ALA A 107 25.568 -33.112 4.496 1.00 43.40 O ATOM 1053 CB ALA A 107 26.433 -33.781 7.625 1.00 50.56 C ATOM 1054 H ALA A 107 28.991 -33.682 7.133 1.00 0.00 H ATOM 1055 N THR A 108 27.075 -31.668 5.345 1.00 45.65 N ATOM 1056 CA THR A 108 26.689 -30.580 4.482 1.00 43.92 C ATOM 1057 C THR A 108 26.963 -30.908 3.006 1.00 43.51 C ATOM 1058 O THR A 108 26.112 -30.636 2.162 1.00 44.48 O ATOM 1059 CB THR A 108 27.414 -29.291 4.877 1.00 45.20 C ATOM 1060 OG1 THR A 108 27.319 -29.123 6.296 1.00 44.98 O ATOM 1061 CG2 THR A 108 26.806 -28.095 4.190 1.00 44.20 C ATOM 1062 HG1 THR A 108 27.740 -29.897 6.748 1.00 0.00 H ATOM 1063 H THR A 108 27.845 -31.524 6.029 1.00 0.00 H ATOM 1064 N ALA A 109 28.116 -31.513 2.702 1.00 42.20 N ATOM 1065 CA ALA A 109 28.452 -31.909 1.319 1.00 41.96 C ATOM 1066 C ALA A 109 27.504 -32.947 0.744 1.00 43.37 C ATOM 1067 O ALA A 109 27.161 -32.881 -0.445 1.00 40.73 O ATOM 1068 CB ALA A 109 29.878 -32.423 1.230 1.00 43.40 C ATOM 1069 H ALA A 109 28.797 -31.711 3.463 1.00 0.00 H ATOM 1070 N MET A 110 27.094 -33.913 1.576 1.00 44.67 N ATOM 1071 CA MET A 110 26.085 -34.898 1.179 1.00 46.51 C ATOM 1072 C MET A 110 24.766 -34.219 0.863 1.00 44.20 C ATOM 1073 O MET A 110 24.171 -34.492 -0.165 1.00 43.26 O ATOM 1074 CB MET A 110 25.862 -35.971 2.275 1.00 50.59 C ATOM 1075 CG MET A 110 27.008 -36.955 2.410 1.00 54.57 C ATOM 1076 SD MET A 110 26.748 -38.249 3.658 1.00 62.62 S ATOM 1077 CE MET A 110 26.848 -37.272 5.124 1.00 61.53 C ATOM 1078 H MET A 110 27.503 -33.965 2.531 1.00 0.00 H ATOM 1079 N TYR A 111 24.321 -33.325 1.741 1.00 43.99 N ATOM 1080 CA TYR A 111 23.103 -32.527 1.492 1.00 44.15 C ATOM 1081 C TYR A 111 23.176 -31.678 0.187 1.00 43.55 C ATOM 1082 O TYR A 111 22.211 -31.634 -0.632 1.00 43.43 O ATOM 1083 CB TYR A 111 22.818 -31.657 2.722 1.00 44.45 C ATOM 1084 CG TYR A 111 21.687 -30.676 2.567 1.00 46.36 C ATOM 1085 CD1 TYR A 111 20.340 -31.072 2.679 1.00 49.21 C ATOM 1086 CD2 TYR A 111 21.958 -29.324 2.346 1.00 48.14 C ATOM 1087 CE1 TYR A 111 19.298 -30.138 2.524 1.00 48.68 C ATOM 1088 CE2 TYR A 111 20.942 -28.403 2.181 1.00 48.52 C ATOM 1089 CZ TYR A 111 19.624 -28.807 2.262 1.00 49.40 C ATOM 1090 OH TYR A 111 18.698 -27.812 2.113 1.00 50.75 O ATOM 1091 HH TYR A 111 17.788 -28.196 2.186 1.00 0.00 H ATOM 1092 H TYR A 111 24.845 -33.184 2.628 1.00 0.00 H ATOM 1093 N LEU A 112 24.314 -31.017 -0.023 1.00 40.58 N ATOM 1094 CA LEU A 112 24.528 -30.232 -1.244 1.00 39.87 C ATOM 1095 C LEU A 112 24.868 -31.046 -2.498 1.00 40.49 C ATOM 1096 O LEU A 112 25.028 -30.459 -3.590 1.00 39.38 O ATOM 1097 CB LEU A 112 25.644 -29.185 -0.996 1.00 38.47 C ATOM 1098 CG LEU A 112 25.365 -28.110 0.066 1.00 38.30 C ATOM 1099 CD1 LEU A 112 26.562 -27.165 0.170 1.00 39.05 C ATOM 1100 CD2 LEU A 112 24.092 -27.340 -0.226 1.00 39.64 C ATOM 1101 H LEU A 112 25.066 -31.058 0.694 1.00 0.00 H ATOM 1102 N GLN A 113 25.014 -32.364 -2.360 1.00 43.26 N ATOM 1103 CA GLN A 113 25.366 -33.279 -3.470 1.00 46.67 C ATOM 1104 C GLN A 113 26.711 -32.908 -4.115 1.00 46.78 C ATOM 1105 O GLN A 113 26.813 -32.619 -5.329 1.00 45.58 O ATOM 1106 CB GLN A 113 24.253 -33.361 -4.502 1.00 49.21 C ATOM 1107 CG GLN A 113 22.939 -33.919 -3.968 1.00 52.61 C ATOM 1108 CD GLN A 113 21.782 -33.641 -4.921 1.00 56.43 C ATOM 1109 OE1 GLN A 113 21.924 -33.746 -6.138 1.00 58.17 O ATOM 1110 NE2 GLN A 113 20.648 -33.248 -4.371 1.00 58.69 N ATOM 1111 HE22 GLN A 113 20.570 -33.173 -3.337 1.00 0.00 H ATOM 1112 HE21 GLN A 113 19.832 -33.014 -4.972 1.00 0.00 H ATOM 1113 H GLN A 113 24.872 -32.775 -1.415 1.00 0.00 H ATOM 1114 N MET A 114 27.732 -32.868 -3.263 1.00 45.16 N ATOM 1115 CA MET A 114 29.094 -32.528 -3.693 1.00 45.71 C ATOM 1116 C MET A 114 29.921 -33.781 -3.480 1.00 47.52 C ATOM 1117 O MET A 114 30.633 -33.916 -2.476 1.00 46.87 O ATOM 1118 CB MET A 114 29.638 -31.341 -2.892 1.00 42.10 C ATOM 1119 CG MET A 114 28.834 -30.064 -3.120 1.00 41.00 C ATOM 1120 SD MET A 114 29.296 -28.676 -2.073 1.00 41.06 S ATOM 1121 CE MET A 114 30.932 -28.334 -2.760 1.00 41.37 C ATOM 1122 H MET A 114 27.560 -33.084 -2.260 1.00 0.00 H ATOM 1123 N GLU A 115 29.816 -34.699 -4.431 1.00 50.07 N ATOM 1124 CA GLU A 115 30.254 -36.079 -4.199 1.00 54.97 C ATOM 1125 C GLU A 115 31.768 -36.249 -4.059 1.00 53.73 C ATOM 1126 O GLU A 115 32.194 -37.125 -3.328 1.00 54.10 O ATOM 1127 CB GLU A 115 29.700 -37.039 -5.260 1.00 59.47 C ATOM 1128 CG GLU A 115 30.420 -36.984 -6.597 1.00 64.91 C ATOM 1129 CD GLU A 115 29.718 -37.792 -7.682 1.00 70.57 C ATOM 1130 OE1 GLU A 115 29.626 -37.281 -8.825 1.00 73.89 O ATOM 1131 OE2 GLU A 115 29.260 -38.919 -7.387 1.00 70.93 O ATOM 1132 H GLU A 115 29.417 -34.436 -5.355 1.00 0.00 H ATOM 1133 N HIS A 116 32.566 -35.446 -4.763 1.00 53.41 N ATOM 1134 CA HIS A 116 34.022 -35.510 -4.601 1.00 55.05 C ATOM 1135 C HIS A 116 34.438 -35.074 -3.199 1.00 53.92 C ATOM 1136 O HIS A 116 35.318 -35.697 -2.576 1.00 55.64 O ATOM 1137 CB HIS A 116 34.753 -34.694 -5.665 1.00 59.45 C ATOM 1138 CG HIS A 116 34.723 -35.318 -7.027 1.00 64.91 C ATOM 1139 ND1 HIS A 116 34.946 -34.594 -8.181 1.00 67.82 N ATOM 1140 CD2 HIS A 116 34.481 -36.592 -7.423 1.00 68.92 C ATOM 1141 CE1 HIS A 116 34.857 -35.399 -9.226 1.00 69.79 C ATOM 1142 NE2 HIS A 116 34.572 -36.615 -8.793 1.00 71.06 N ATOM 1143 H HIS A 116 32.152 -34.768 -5.434 1.00 0.00 H ATOM 1144 N VAL A 117 33.807 -34.023 -2.685 1.00 48.57 N ATOM 1145 CA VAL A 117 34.024 -33.645 -1.288 1.00 47.93 C ATOM 1146 C VAL A 117 33.571 -34.739 -0.308 1.00 48.53 C ATOM 1147 O VAL A 117 34.280 -35.011 0.674 1.00 47.33 O ATOM 1148 CB VAL A 117 33.372 -32.293 -0.950 1.00 45.77 C ATOM 1149 CG1 VAL A 117 33.407 -32.016 0.546 1.00 46.31 C ATOM 1150 CG2 VAL A 117 34.093 -31.176 -1.706 1.00 45.57 C ATOM 1151 H VAL A 117 33.157 -33.468 -3.277 1.00 0.00 H ATOM 1152 N VAL A 118 32.413 -35.356 -0.557 1.00 48.06 N ATOM 1153 CA VAL A 118 31.936 -36.442 0.330 1.00 50.63 C ATOM 1154 C VAL A 118 32.973 -37.573 0.383 1.00 52.90 C ATOM 1155 O VAL A 118 33.385 -37.964 1.462 1.00 53.41 O ATOM 1156 CB VAL A 118 30.538 -36.970 -0.067 1.00 50.53 C ATOM 1157 CG1 VAL A 118 30.135 -38.169 0.786 1.00 51.98 C ATOM 1158 CG2 VAL A 118 29.491 -35.865 0.078 1.00 49.99 C ATOM 1159 H VAL A 118 31.843 -35.072 -1.379 1.00 0.00 H ATOM 1160 N ASP A 119 33.397 -38.065 -0.779 1.00 56.68 N ATOM 1161 CA ASP A 119 34.438 -39.114 -0.878 1.00 60.43 C ATOM 1162 C ASP A 119 35.717 -38.758 -0.137 1.00 60.20 C ATOM 1163 O ASP A 119 36.322 -39.605 0.531 1.00 59.07 O ATOM 1164 CB ASP A 119 34.815 -39.395 -2.336 1.00 63.66 C ATOM 1165 CG ASP A 119 33.679 -40.020 -3.140 1.00 68.64 C ATOM 1166 OD1 ASP A 119 32.854 -40.770 -2.569 1.00 73.75 O ATOM 1167 OD2 ASP A 119 33.616 -39.757 -4.366 1.00 73.78 O ATOM 1168 H ASP A 119 32.979 -37.696 -1.657 1.00 0.00 H ATOM 1169 N THR A 120 36.145 -37.508 -0.284 1.00 57.44 N ATOM 1170 CA THR A 120 37.357 -37.043 0.369 1.00 57.02 C ATOM 1171 C THR A 120 37.217 -37.056 1.891 1.00 57.01 C ATOM 1172 O THR A 120 38.136 -37.500 2.584 1.00 58.93 O ATOM 1173 CB THR A 120 37.753 -35.641 -0.126 1.00 55.43 C ATOM 1174 OG1 THR A 120 38.044 -35.713 -1.527 1.00 54.16 O ATOM 1175 CG2 THR A 120 38.982 -35.117 0.628 1.00 55.85 C ATOM 1176 HG1 THR A 120 37.241 -36.028 -2.014 1.00 0.00 H ATOM 1177 H THR A 120 35.602 -36.850 -0.878 1.00 0.00 H ATOM 1178 N CYS A 121 36.090 -36.570 2.413 1.00 54.97 N ATOM 1179 CA CYS A 121 35.824 -36.634 3.863 1.00 58.09 C ATOM 1180 C CYS A 121 35.836 -38.091 4.381 1.00 61.61 C ATOM 1181 O CYS A 121 36.349 -38.364 5.483 1.00 63.17 O ATOM 1182 CB CYS A 121 34.485 -35.961 4.209 1.00 56.76 C ATOM 1183 SG CYS A 121 34.443 -34.169 3.959 1.00 54.88 S ATOM 1184 H CYS A 121 35.384 -36.137 1.785 1.00 0.00 H ATOM 1185 N ARG A 122 35.278 -39.007 3.583 1.00 63.99 N ATOM 1186 CA ARG A 122 35.303 -40.461 3.885 1.00 68.76 C ATOM 1187 C ARG A 122 36.704 -41.016 4.104 1.00 69.95 C ATOM 1188 O ARG A 122 36.935 -41.758 5.057 1.00 69.86 O ATOM 1189 CB ARG A 122 34.676 -41.274 2.750 1.00 72.06 C ATOM 1190 CG ARG A 122 33.316 -41.872 3.061 1.00 76.08 C ATOM 1191 CD ARG A 122 32.494 -42.009 1.791 1.00 77.77 C ATOM 1192 NE ARG A 122 31.058 -41.979 2.052 1.00 79.76 N ATOM 1193 CZ ARG A 122 30.120 -41.830 1.117 1.00 80.05 C ATOM 1194 NH1 ARG A 122 28.836 -41.817 1.475 1.00 81.81 N ATOM 1195 NH2 ARG A 122 30.447 -41.690 -0.173 1.00 79.77 N ATOM 1196 HE ARG A 122 30.744 -42.081 3.038 1.00 0.00 H ATOM 1197 HH12 ARG A 122 28.096 -41.701 0.753 1.00 0.00 H ATOM 1198 HH11 ARG A 122 28.574 -41.923 2.476 1.00 0.00 H ATOM 1199 HH22 ARG A 122 29.701 -41.575 -0.889 1.00 0.00 H ATOM 1200 HH21 ARG A 122 31.447 -41.696 -0.460 1.00 0.00 H ATOM 1201 H ARG A 122 34.806 -38.688 2.713 1.00 0.00 H ATOM 1202 N LYS A 123 37.617 -40.687 3.192 1.00 69.17 N ATOM 1203 CA LYS A 123 38.991 -41.185 3.271 1.00 72.04 C ATOM 1204 C LYS A 123 39.717 -40.647 4.494 1.00 70.93 C ATOM 1205 O LYS A 123 40.392 -41.409 5.182 1.00 72.85 O ATOM 1206 CB LYS A 123 39.776 -40.869 2.007 1.00 74.02 C ATOM 1207 CG LYS A 123 39.256 -41.583 0.767 1.00 77.19 C ATOM 1208 CD LYS A 123 40.250 -41.478 -0.390 1.00 80.54 C ATOM 1209 CE LYS A 123 39.564 -41.342 -1.744 1.00 81.64 C ATOM 1210 NZ LYS A 123 38.715 -42.524 -2.077 1.00 84.53 N ATOM 1211 HZ1 LYS A 123 39.307 -43.379 -2.102 1.00 0.00 H ATOM 1212 HZ2 LYS A 123 37.976 -42.634 -1.353 1.00 0.00 H ATOM 1213 HZ3 LYS A 123 38.272 -42.380 -3.007 1.00 0.00 H ATOM 1214 H LYS A 123 37.348 -40.062 2.406 1.00 0.00 H ATOM 1215 N PHE A 124 39.553 -39.356 4.782 1.00 67.49 N ATOM 1216 CA PHE A 124 40.149 -38.757 5.984 1.00 69.26 C ATOM 1217 C PHE A 124 39.565 -39.319 7.289 1.00 70.96 C ATOM 1218 O PHE A 124 40.306 -39.533 8.248 1.00 71.85 O ATOM 1219 CB PHE A 124 40.054 -37.233 5.976 1.00 67.78 C ATOM 1220 CG PHE A 124 41.052 -36.568 5.060 1.00 69.55 C ATOM 1221 CD1 PHE A 124 40.894 -36.611 3.682 1.00 68.96 C ATOM 1222 CD2 PHE A 124 42.163 -35.903 5.579 1.00 71.87 C ATOM 1223 CE1 PHE A 124 41.818 -36.010 2.832 1.00 71.35 C ATOM 1224 CE2 PHE A 124 43.075 -35.283 4.738 1.00 71.82 C ATOM 1225 CZ PHE A 124 42.911 -35.342 3.364 1.00 71.15 C ATOM 1226 H PHE A 124 38.991 -38.760 4.142 1.00 0.00 H ATOM 1227 N ILE A 125 38.256 -39.566 7.323 1.00 70.31 N ATOM 1228 CA ILE A 125 37.615 -40.215 8.489 1.00 73.27 C ATOM 1229 C ILE A 125 38.127 -41.651 8.648 1.00 76.97 C ATOM 1230 O ILE A 125 38.487 -42.060 9.746 1.00 80.94 O ATOM 1231 CB ILE A 125 36.062 -40.183 8.397 1.00 70.98 C ATOM 1232 CG1 ILE A 125 35.559 -38.761 8.669 1.00 68.77 C ATOM 1233 CG2 ILE A 125 35.415 -41.149 9.395 1.00 72.50 C ATOM 1234 CD1 ILE A 125 34.177 -38.472 8.128 1.00 67.72 C ATOM 1235 H ILE A 125 37.669 -39.296 6.508 1.00 0.00 H ATOM 1236 N LYS A 126 38.166 -42.391 7.541 1.00 78.76 N ATOM 1237 CA LYS A 126 38.592 -43.787 7.533 1.00 82.94 C ATOM 1238 C LYS A 126 40.064 -43.977 7.912 1.00 85.47 C ATOM 1239 O LYS A 126 40.431 -45.039 8.413 1.00 86.96 O ATOM 1240 CB LYS A 126 38.318 -44.403 6.159 1.00 84.75 C ATOM 1241 CG LYS A 126 38.538 -45.903 6.084 1.00 91.68 C ATOM 1242 CD LYS A 126 37.896 -46.506 4.844 1.00 93.69 C ATOM 1243 CE LYS A 126 38.504 -45.979 3.552 1.00 93.54 C ATOM 1244 NZ LYS A 126 38.742 -47.101 2.597 1.00 97.79 N ATOM 1245 HZ1 LYS A 126 39.396 -47.787 3.026 1.00 0.00 H ATOM 1246 HZ2 LYS A 126 37.839 -47.569 2.382 1.00 0.00 H ATOM 1247 HZ3 LYS A 126 39.157 -46.726 1.720 1.00 0.00 H ATOM 1248 H LYS A 126 37.880 -41.954 6.642 1.00 0.00 H ATOM 1249 N ALA A 127 40.900 -42.967 7.657 1.00 85.00 N ATOM 1250 CA ALA A 127 42.312 -42.987 8.076 1.00 87.16 C ATOM 1251 C ALA A 127 42.511 -42.693 9.568 1.00 89.88 C ATOM 1252 O ALA A 127 43.544 -43.045 10.114 1.00 91.49 O ATOM 1253 CB ALA A 127 43.128 -42.016 7.247 1.00 84.19 C ATOM 1254 H ALA A 127 40.541 -42.137 7.144 1.00 0.00 H ATOM 1255 N SER A 128 41.553 -42.023 10.210 1.00 91.98 N ATOM 1256 CA SER A 128 41.581 -41.814 11.667 1.00 97.29 C ATOM 1257 C SER A 128 41.383 -43.134 12.413 1.00103.02 C ATOM 1258 O SER A 128 42.003 -43.364 13.453 1.00108.98 O ATOM 1259 CB SER A 128 40.506 -40.813 12.097 1.00 95.83 C ATOM 1260 OG SER A 128 40.556 -39.639 11.303 1.00 93.27 O ATOM 1261 HG SER A 128 40.406 -39.877 10.354 1.00 0.00 H ATOM 1262 H SER A 128 40.759 -41.635 9.662 1.00 0.00 H ATOM 1263 N GLU A 129 40.510 -43.989 11.881 1.00105.55 N ATOM 1264 CA GLU A 129 40.377 -45.378 12.343 1.00109.56 C ATOM 1265 C GLU A 129 41.596 -46.181 11.889 1.00113.08 C ATOM 1266 O GLU A 129 42.084 -46.020 10.767 1.00113.42 O ATOM 1267 CB GLU A 129 39.108 -46.018 11.770 1.00109.35 C ATOM 1268 CG GLU A 129 37.802 -45.347 12.200 1.00107.61 C ATOM 1269 CD GLU A 129 36.726 -45.317 11.115 1.00106.61 C ATOM 1270 OE1 GLU A 129 36.839 -46.056 10.109 1.00108.20 O ATOM 1271 OE2 GLU A 129 35.752 -44.544 11.269 1.00103.47 O ATOM 1272 OXT GLU A 129 42.134 -47.009 12.618 1.00116.97 O ATOM 1273 H GLU A 129 39.898 -43.660 11.107 1.00 0.00 H TER 1274 GLU A 129 HETATM 1275 O HOH 1 15.196 -30.525 13.481 1.00 33.97 O HETATM 1276 O HOH 2 29.284 -15.052 0.454 1.00 48.72 O HETATM 1277 O HOH 3 18.192 -12.965 -8.109 1.00 64.02 O HETATM 1278 O HOH 4 24.733 -16.301 -11.244 1.00 46.05 O HETATM 1279 O HOH 5 20.237 -10.244 -4.944 1.00 66.82 O HETATM 1280 O HOH 6 45.305 -18.305 -10.086 1.00 49.57 O HETATM 1281 O HOH 7 25.053 -12.779 -11.380 1.00 49.60 O HETATM 1282 O HOH 8 28.420 -33.978 -6.953 1.00 54.76 O HETATM 1283 O HOH 9 38.026 -6.864 -6.994 1.00 51.58 O HETATM 1284 O HOH 10 15.581 -29.293 -11.779 1.00 60.03 O HETATM 1285 O HOH 11 29.877 -17.256 -12.882 1.00 40.42 O HETATM 1286 O HOH 12 39.829 -18.254 -5.705 1.00 36.32 O HETATM 1287 O HOH 13 34.180 -33.645 13.099 1.00 53.25 O HETATM 1288 O HOH 14 33.772 -29.839 17.031 1.00 58.89 O HETATM 1289 O HOH 15 41.924 -8.354 -12.599 1.00 59.81 O HETATM 1290 O HOH 16 48.149 -18.672 -17.309 1.00 47.92 O HETATM 1291 O HOH 17 41.435 -19.501 -7.516 1.00 39.04 O HETATM 1292 O HOH 18 37.135 -24.455 2.623 1.00 41.37 O HETATM 1293 O HOH 19 17.212 -19.342 9.078 1.00 52.26 O HETATM 1294 O HOH 20 41.391 -26.053 -8.886 1.00 37.32 O HETATM 1295 O HOH 21 17.185 -21.996 -15.313 1.00 66.89 O HETATM 1296 O HOH 22 44.009 -22.667 -13.596 1.00 40.89 O HETATM 1297 O HOH 23 17.692 -22.341 7.433 1.00 63.30 O HETATM 1298 O HOH 24 22.066 -25.241 12.381 1.00 49.98 O HETATM 1299 O HOH 25 22.552 -9.252 -9.310 1.00 63.70 O HETATM 1300 O HOH 26 41.470 -22.155 -7.722 1.00 42.30 O HETATM 1301 O HOH 27 41.951 -11.430 -3.808 1.00 60.42 O HETATM 1302 O HOH 28 26.264 -5.555 -8.457 1.00 54.00 O HETATM 1303 O HOH 29 9.625 -28.808 -5.591 1.00 63.58 O HETATM 1304 O HOH 30 46.424 -22.685 -11.595 1.00 57.86 O HETATM 1305 O HOH 31 37.319 -16.946 0.339 1.00 52.65 O HETATM 1306 O HOH 32 40.264 -16.472 -3.391 1.00 53.49 O HETATM 1307 O HOH 33 27.799 -13.214 2.483 1.00 60.46 O HETATM 1308 O HOH 34 21.934 -14.215 12.882 1.00 57.57 O HETATM 1309 O HOH 35 54.527 -22.694 -25.679 1.00 44.40 O HETATM 1310 O HOH 36 28.121 -22.405 12.843 1.00 58.63 O HETATM 1311 O HOH 37 32.440 -32.118 -5.003 1.00 53.34 O HETATM 1312 O HOH 38 29.969 -19.308 9.806 1.00 79.23 O HETATM 1313 O HOH 39 38.403 -12.248 -2.185 1.00 63.81 O HETATM 1314 O HOH 40 40.837 -3.756 -10.775 1.00 75.20 O HETATM 1315 C4 UNN A 41 39.776 -6.779 -14.244 1.00 -0.04 C HETATM 1316 C7 UNN A 41 39.259 -8.064 -14.384 1.00 0.06 C HETATM 1317 C5 UNN A 41 39.718 -8.850 -15.408 1.00 -0.04 C HETATM 1318 C3 UNN A 41 40.667 -8.361 -16.283 1.00 -0.07 C HETATM 1319 C1 UNN A 41 41.182 -7.085 -16.157 1.00 -0.07 C HETATM 1320 C2 UNN A 41 40.728 -6.301 -15.121 1.00 -0.07 C HETATM 1321 H5 UNN A 41 41.122 -5.299 -14.993 1.00 0.06 H HETATM 1322 H4 UNN A 41 41.923 -6.712 -16.855 1.00 0.05 H HETATM 1323 H6 UNN A 41 41.017 -8.994 -17.090 1.00 0.06 H HETATM 1324 H2 UNN A 41 39.336 -9.857 -15.531 1.00 0.05 H HETATM 1325 N14 UNN A 41 38.288 -8.557 -13.491 1.00 -0.26 N HETATM 1326 C9 UNN A 41 38.347 -8.496 -12.095 1.00 0.15 C HETATM 1327 C8 UNN A 41 37.308 -8.978 -11.325 1.00 0.10 C HETATM 1328 C6 UNN A 41 37.407 -8.873 -9.959 1.00 0.01 C HETATM 1329 N11 UNN A 41 38.470 -8.336 -9.353 1.00 -0.27 N HETATM 1330 C10 UNN A 41 39.438 -7.912 -10.178 1.00 0.17 C HETATM 1331 N12 UNN A 41 39.431 -7.962 -11.516 1.00 -0.24 N HETATM 1332 N13 UNN A 41 40.562 -7.362 -9.600 1.00 -0.31 N HETATM 1333 H7 UNN A 41 41.332 -7.022 -10.193 1.00 0.18 H HETATM 1334 H8 UNN A 41 40.632 -7.291 -8.575 1.00 0.18 H HETATM 1335 H3 UNN A 41 36.590 -9.240 -9.348 1.00 0.09 H HETATM 1336 CL1 UNN A 41 35.894 -9.694 -11.984 1.00 -0.08 CL HETATM 1337 H9 UNN A 41 37.457 -9.004 -13.904 1.00 0.22 H HETATM 1338 H1 UNN A 41 39.426 -6.146 -13.436 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1315 1316 1320 1338 CONECT 1316 1315 1317 1325 CONECT 1317 1316 1318 1324 CONECT 1318 1317 1319 1323 CONECT 1319 1318 1320 1322 CONECT 1320 1315 1319 1321 CONECT 1321 1320 CONECT 1322 1319 CONECT 1323 1318 CONECT 1324 1317 CONECT 1325 1316 1326 1337 CONECT 1326 1325 1327 1331 CONECT 1327 1326 1328 1336 CONECT 1328 1327 1329 1335 CONECT 1329 1328 1330 CONECT 1330 1329 1331 1332 CONECT 1331 1326 1330 CONECT 1332 1330 1333 1334 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1328 CONECT 1336 1327 CONECT 1337 1325 CONECT 1338 1315 MASTER 0 0 0 0 0 0 0 0 1337 1 28 10 END
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Pocket-Ligand
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
127aa, >3LBZ_1|Chains... at 96%
5h7h
RCSB PDB
PDBbind
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5mw2
RCSB PDB
PDBbind
126aa, >5MW2_1|Chain... at 96%
5mw6
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PDBbind
126aa, >5MW6_1|Chains... at 96%
5mwd
RCSB PDB
PDBbind
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5n1x
RCSB PDB
PDBbind
118aa, >5N1X_3|Chain... at 96%
5n1z
RCSB PDB
PDBbind
123aa, >5N1Z_1|Chain... at 97%
5n20
RCSB PDB
PDBbind
123aa, >5N20_1|Chain... at 97%
5n21
RCSB PDB
PDBbind
122aa, >5N21_1|Chains... at 97%
5x4m
RCSB PDB
PDBbind
141aa, >5X4M_1|Chain... at 100%
5x4o
RCSB PDB
PDBbind
141aa, >5X4O_1|Chain... at 100%
5x4p
RCSB PDB
PDBbind
141aa, >5X4P_1|Chain... at 100%
5x4q
RCSB PDB
PDBbind
141aa, >5X4Q_1|Chain... at 100%
5x9o
RCSB PDB
PDBbind
141aa, >5X9O_1|Chain... at 100%
5x9p
RCSB PDB
PDBbind
141aa, >5X9P_1|Chain... at 100%
6ew6
RCSB PDB
PDBbind
123aa, >6EW6_1|Chain... at 96%
6ew7
RCSB PDB
PDBbind
122aa, >6EW7_1|Chains... at 97%
6cq1
RCSB PDB
PDBbind
131aa, >6CQ1_1|Chains... at 92%
6c3n
RCSB PDB
PDBbind
131aa, >6C3N_1|Chains... at 92%
6c3l
RCSB PDB
PDBbind
131aa, >6C3L_1|Chains... at 92%
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
5x4n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6
Ligand Name
7ZL
EC.Number
E.C.-.-.-.-
Resolution
1.94(Å)
Affinity (Kd/Ki/IC50)
Kd=68uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4358-4368
Ligand Properties
Formula
C
1
0
H
9
ClN
4
Molecular Weight
220.658
Exact Mass
220.052
No. of atoms
24
No. of bonds
25
Polar Surface Area
63.83
LOGP Value
2.36 (
Computed with XLOGP3
)
3.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
Nc1ncc(c(n1)Nc1ccccc1)Cl
InChI String
InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
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):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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