Browse entries in the PDBbind-CN Database
HEADER 4O9S_COMPLEX COMPND 4O9S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 175 GLU ARG ASP CYS ARG VAL SER SER PHE ARG VAL LYS GLU SEQRES 2 A 175 ASN PHE ASP LYS ALA ARG PHE SER GLY THR TRP TYR ALA SEQRES 3 A 175 MET ALA LYS LYS ASP PRO GLU GLY LEU PHE LEU GLN ASP SEQRES 4 A 175 ASN ILE VAL ALA GLU PHE SER VAL ASP GLU THR GLY GLN SEQRES 5 A 175 MET SER ALA THR ALA LYS GLY ARG VAL ARG LEU LEU ASN SEQRES 6 A 175 ASN TRP ASP VAL CYS ALA ASP MET VAL GLY THR PHE THR SEQRES 7 A 175 ASP THR GLU ASP PRO ALA LYS PHE LYS MET LYS TYR TRP SEQRES 8 A 175 GLY VAL ALA SER PHE LEU GLN LYS GLY ASN ASP ASP HIS SEQRES 9 A 175 TRP ILE VAL ASP THR ASP TYR ASP THR TYR ALA VAL GLN SEQRES 10 A 175 TYR SER CYS ARG LEU LEU ASN LEU ASP GLY THR CYS ALA SEQRES 11 A 175 ASP SER TYR SER PHE VAL PHE SER ARG ASP PRO ASN GLY SEQRES 12 A 175 LEU PRO PRO GLU ALA GLN LYS ILE VAL ARG GLN ARG GLN SEQRES 13 A 175 GLU GLU LEU CYS LEU ALA ARG GLN TYR ARG LEU ILE VAL SEQRES 14 A 175 HIS ASN GLY TYR CYS ASP HET UNN A 285 52 SSBOND 1 CYS A 120 CYS A 129 SSBOND 2 CYS A 4 CYS A 160 SSBOND 3 CYS A 70 CYS A 174 ATOM 1 N GLU A 1 -64.700 -22.879 -21.427 1.00 42.40 N ATOM 2 CA GLU A 1 -64.320 -23.459 -20.101 1.00 42.22 C ATOM 3 C GLU A 1 -63.065 -22.794 -19.532 1.00 41.41 C ATOM 4 O GLU A 1 -62.027 -23.439 -19.363 1.00 41.48 O ATOM 5 CB GLU A 1 -64.110 -24.976 -20.210 1.00 42.83 C ATOM 6 CG GLU A 1 -65.379 -25.769 -20.481 1.00 43.30 C ATOM 7 CD GLU A 1 -65.136 -27.267 -20.507 1.00 43.77 C ATOM 8 OE1 GLU A 1 -64.140 -27.702 -21.126 1.00 44.14 O ATOM 9 OE2 GLU A 1 -65.943 -28.013 -19.914 1.00 44.02 O ATOM 10 HN3 GLU A 1 -63.920 -23.018 -22.101 1.00 0.00 H ATOM 11 HN2 GLU A 1 -64.888 -21.862 -21.318 1.00 0.00 H ATOM 12 HN1 GLU A 1 -65.555 -23.355 -21.780 1.00 0.00 H ATOM 13 N ARG A 2 -63.168 -21.498 -19.245 1.00 40.36 N ATOM 14 CA ARG A 2 -62.074 -20.755 -18.622 1.00 39.43 C ATOM 15 C ARG A 2 -62.083 -20.988 -17.114 1.00 38.44 C ATOM 16 O ARG A 2 -63.144 -20.997 -16.487 1.00 38.41 O ATOM 17 CB ARG A 2 -62.188 -19.257 -18.928 1.00 39.60 C ATOM 18 CG ARG A 2 -61.146 -18.397 -18.224 1.00 39.72 C ATOM 19 CD ARG A 2 -61.080 -16.993 -18.804 1.00 39.86 C ATOM 20 NE ARG A 2 -60.390 -16.953 -20.094 1.00 39.96 N ATOM 21 CZ ARG A 2 -59.069 -17.035 -20.259 1.00 40.02 C ATOM 22 NH1 ARG A 2 -58.556 -16.984 -21.484 1.00 40.23 N ATOM 23 NH2 ARG A 2 -58.252 -17.176 -19.217 1.00 39.96 N ATOM 24 HE ARG A 2 -60.975 -16.853 -20.948 1.00 0.00 H ATOM 25 HH12 ARG A 2 -57.527 -17.047 -21.620 1.00 0.00 H ATOM 26 HH11 ARG A 2 -59.184 -16.881 -22.307 1.00 0.00 H ATOM 27 HH22 ARG A 2 -57.225 -17.238 -19.366 1.00 0.00 H ATOM 28 HH21 ARG A 2 -58.641 -17.224 -18.254 1.00 0.00 H ATOM 29 H ARG A 2 -64.053 -21.000 -19.471 1.00 0.00 H ATOM 30 N ASP A 3 -60.897 -21.174 -16.540 1.00 37.27 N ATOM 31 CA ASP A 3 -60.751 -21.356 -15.099 1.00 36.33 C ATOM 32 C ASP A 3 -60.890 -20.000 -14.402 1.00 35.50 C ATOM 33 O ASP A 3 -59.980 -19.169 -14.455 1.00 35.34 O ATOM 34 CB ASP A 3 -59.393 -21.997 -14.781 1.00 36.30 C ATOM 35 CG ASP A 3 -59.277 -22.460 -13.334 1.00 36.31 C ATOM 36 OD1 ASP A 3 -60.225 -22.258 -12.544 1.00 36.16 O ATOM 37 OD2 ASP A 3 -58.226 -23.036 -12.984 1.00 36.33 O ATOM 38 H ASP A 3 -60.046 -21.190 -17.138 1.00 0.00 H ATOM 39 N CYS A 4 -62.035 -19.787 -13.754 1.00 34.55 N ATOM 40 CA CYS A 4 -62.332 -18.519 -13.083 1.00 33.81 C ATOM 41 C CYS A 4 -62.146 -18.576 -11.562 1.00 33.50 C ATOM 42 O CYS A 4 -62.574 -17.665 -10.852 1.00 33.37 O ATOM 43 CB CYS A 4 -63.759 -18.067 -13.420 1.00 33.47 C ATOM 44 SG CYS A 4 -64.002 -17.581 -15.145 1.00 33.24 S ATOM 45 H CYS A 4 -62.743 -20.548 -13.724 1.00 0.00 H ATOM 46 N ARG A 5 -61.506 -19.631 -11.062 1.00 33.24 N ATOM 47 CA ARG A 5 -61.201 -19.730 -9.635 1.00 33.00 C ATOM 48 C ARG A 5 -60.187 -18.657 -9.246 1.00 32.77 C ATOM 49 O ARG A 5 -59.262 -18.364 -10.007 1.00 32.65 O ATOM 50 CB ARG A 5 -60.661 -21.119 -9.285 1.00 33.13 C ATOM 51 CG ARG A 5 -61.685 -22.234 -9.431 1.00 33.27 C ATOM 52 CD ARG A 5 -61.091 -23.592 -9.090 1.00 33.35 C ATOM 53 NE ARG A 5 -60.063 -24.000 -10.045 1.00 33.52 N ATOM 54 CZ ARG A 5 -59.379 -25.142 -9.984 1.00 33.69 C ATOM 55 NH1 ARG A 5 -59.600 -26.018 -9.008 1.00 33.82 N ATOM 56 NH2 ARG A 5 -58.464 -25.412 -10.910 1.00 33.73 N ATOM 57 HE ARG A 5 -59.850 -23.352 -10.830 1.00 0.00 H ATOM 58 HH12 ARG A 5 -59.059 -26.905 -8.973 1.00 0.00 H ATOM 59 HH11 ARG A 5 -60.314 -25.816 -8.280 1.00 0.00 H ATOM 60 HH22 ARG A 5 -57.927 -26.302 -10.867 1.00 0.00 H ATOM 61 HH21 ARG A 5 -58.285 -24.733 -11.677 1.00 0.00 H ATOM 62 H ARG A 5 -61.217 -20.400 -11.699 1.00 0.00 H ATOM 63 N VAL A 6 -60.364 -18.078 -8.060 1.00 32.44 N ATOM 64 CA VAL A 6 -59.517 -16.975 -7.601 1.00 32.19 C ATOM 65 C VAL A 6 -58.083 -17.445 -7.348 1.00 32.19 C ATOM 66 O VAL A 6 -57.129 -16.719 -7.634 1.00 31.98 O ATOM 67 CB VAL A 6 -60.093 -16.307 -6.331 1.00 32.05 C ATOM 68 CG1 VAL A 6 -59.149 -15.234 -5.799 1.00 32.02 C ATOM 69 CG2 VAL A 6 -61.463 -15.712 -6.628 1.00 32.01 C ATOM 70 H VAL A 6 -61.127 -18.419 -7.441 1.00 0.00 H ATOM 71 N SER A 7 -57.943 -18.660 -6.824 1.00 32.20 N ATOM 72 CA SER A 7 -56.631 -19.256 -6.564 1.00 32.32 C ATOM 73 C SER A 7 -55.817 -19.553 -7.834 1.00 32.33 C ATOM 74 O SER A 7 -54.585 -19.564 -7.789 1.00 32.49 O ATOM 75 CB SER A 7 -56.793 -20.542 -5.747 1.00 32.31 C ATOM 76 OG SER A 7 -57.661 -21.454 -6.397 1.00 32.29 O ATOM 77 HG SER A 7 -57.289 -21.687 -7.284 1.00 0.00 H ATOM 78 H SER A 7 -58.797 -19.206 -6.591 1.00 0.00 H ATOM 79 N SER A 8 -56.505 -19.793 -8.949 1.00 32.36 N ATOM 80 CA SER A 8 -55.847 -20.106 -10.218 1.00 32.40 C ATOM 81 C SER A 8 -55.311 -18.872 -10.953 1.00 32.36 C ATOM 82 O SER A 8 -54.509 -19.009 -11.878 1.00 32.40 O ATOM 83 CB SER A 8 -56.808 -20.864 -11.136 1.00 32.44 C ATOM 84 OG SER A 8 -57.867 -20.028 -11.569 1.00 32.53 O ATOM 85 HG SER A 8 -58.371 -19.702 -10.782 1.00 0.00 H ATOM 86 H SER A 8 -57.544 -19.757 -8.917 1.00 0.00 H ATOM 87 N PHE A 9 -55.752 -17.679 -10.554 1.00 32.30 N ATOM 88 CA PHE A 9 -55.305 -16.436 -11.202 1.00 32.26 C ATOM 89 C PHE A 9 -53.826 -16.150 -10.946 1.00 32.34 C ATOM 90 O PHE A 9 -53.306 -16.427 -9.866 1.00 32.25 O ATOM 91 CB PHE A 9 -56.135 -15.226 -10.744 1.00 32.08 C ATOM 92 CG PHE A 9 -57.583 -15.264 -11.170 1.00 31.99 C ATOM 93 CD1 PHE A 9 -57.961 -15.743 -12.423 1.00 31.95 C ATOM 94 CD2 PHE A 9 -58.570 -14.776 -10.324 1.00 31.91 C ATOM 95 CE1 PHE A 9 -59.293 -15.760 -12.803 1.00 31.92 C ATOM 96 CE2 PHE A 9 -59.903 -14.790 -10.701 1.00 31.86 C ATOM 97 CZ PHE A 9 -60.265 -15.282 -11.942 1.00 31.89 C ATOM 98 H PHE A 9 -56.428 -17.626 -9.766 1.00 0.00 H ATOM 99 N ARG A 10 -53.163 -15.592 -11.957 1.00 32.57 N ATOM 100 CA ARG A 10 -51.741 -15.263 -11.885 1.00 32.78 C ATOM 101 C ARG A 10 -51.544 -13.774 -11.608 1.00 32.48 C ATOM 102 O ARG A 10 -52.355 -12.943 -12.024 1.00 32.44 O ATOM 103 CB ARG A 10 -51.040 -15.674 -13.185 1.00 33.16 C ATOM 104 CG ARG A 10 -50.750 -17.167 -13.264 1.00 33.53 C ATOM 105 CD ARG A 10 -50.802 -17.714 -14.684 1.00 33.87 C ATOM 106 NE ARG A 10 -49.955 -16.963 -15.616 1.00 34.18 N ATOM 107 CZ ARG A 10 -50.381 -16.294 -16.691 1.00 34.51 C ATOM 108 NH1 ARG A 10 -51.671 -16.257 -17.024 1.00 34.71 N ATOM 109 NH2 ARG A 10 -49.499 -15.654 -17.452 1.00 34.61 N ATOM 110 HE ARG A 10 -48.933 -16.950 -15.423 1.00 0.00 H ATOM 111 HH12 ARG A 10 -51.976 -15.729 -17.866 1.00 0.00 H ATOM 112 HH11 ARG A 10 -52.373 -16.757 -16.442 1.00 0.00 H ATOM 113 HH22 ARG A 10 -49.820 -15.130 -18.291 1.00 0.00 H ATOM 114 HH21 ARG A 10 -48.488 -15.677 -17.208 1.00 0.00 H ATOM 115 H ARG A 10 -53.679 -15.381 -12.835 1.00 0.00 H ATOM 116 N VAL A 11 -50.459 -13.452 -10.905 1.00 32.19 N ATOM 117 CA VAL A 11 -50.158 -12.077 -10.496 1.00 32.09 C ATOM 118 C VAL A 11 -48.749 -11.675 -10.935 1.00 32.08 C ATOM 119 O VAL A 11 -47.994 -12.501 -11.451 1.00 32.01 O ATOM 120 CB VAL A 11 -50.316 -11.890 -8.967 1.00 32.01 C ATOM 121 CG1 VAL A 11 -51.783 -11.977 -8.575 1.00 32.02 C ATOM 122 CG2 VAL A 11 -49.494 -12.913 -8.192 1.00 31.94 C ATOM 123 H VAL A 11 -49.798 -14.208 -10.635 1.00 0.00 H ATOM 124 N LYS A 12 -48.408 -10.403 -10.734 1.00 32.09 N ATOM 125 CA LYS A 12 -47.112 -9.865 -11.150 1.00 32.24 C ATOM 126 C LYS A 12 -45.952 -10.583 -10.460 1.00 32.38 C ATOM 127 O LYS A 12 -45.792 -10.491 -9.245 1.00 32.26 O ATOM 128 CB LYS A 12 -47.045 -8.359 -10.859 1.00 32.11 C ATOM 129 CG LYS A 12 -45.737 -7.678 -11.245 1.00 32.03 C ATOM 130 CD LYS A 12 -45.404 -7.864 -12.718 1.00 31.96 C ATOM 131 CE LYS A 12 -44.194 -7.039 -13.122 1.00 31.93 C ATOM 132 NZ LYS A 12 -43.887 -7.178 -14.572 1.00 31.96 N ATOM 133 HZ1 LYS A 12 -43.689 -8.176 -14.789 1.00 0.00 H ATOM 134 HZ2 LYS A 12 -44.703 -6.856 -15.130 1.00 0.00 H ATOM 135 HZ3 LYS A 12 -43.055 -6.599 -14.806 1.00 0.00 H ATOM 136 H LYS A 12 -49.087 -9.770 -10.265 1.00 0.00 H ATOM 137 N GLU A 13 -45.146 -11.290 -11.247 1.00 32.73 N ATOM 138 CA GLU A 13 -44.004 -12.030 -10.716 1.00 33.10 C ATOM 139 C GLU A 13 -42.886 -11.063 -10.325 1.00 32.85 C ATOM 140 O GLU A 13 -42.580 -10.130 -11.070 1.00 32.70 O ATOM 141 CB GLU A 13 -43.499 -13.044 -11.747 1.00 33.59 C ATOM 142 CG GLU A 13 -42.596 -14.122 -11.165 1.00 34.06 C ATOM 143 CD GLU A 13 -42.237 -15.202 -12.171 1.00 34.49 C ATOM 144 OE1 GLU A 13 -43.100 -15.571 -12.997 1.00 34.86 O ATOM 145 OE2 GLU A 13 -41.088 -15.692 -12.130 1.00 34.78 O ATOM 146 H GLU A 13 -45.334 -11.317 -12.269 1.00 0.00 H ATOM 147 N ASN A 14 -42.294 -11.292 -9.154 1.00 32.75 N ATOM 148 CA ASN A 14 -41.236 -10.433 -8.612 1.00 32.58 C ATOM 149 C ASN A 14 -41.679 -8.972 -8.506 1.00 32.34 C ATOM 150 O ASN A 14 -40.992 -8.068 -8.984 1.00 32.46 O ATOM 151 CB ASN A 14 -39.959 -10.543 -9.457 1.00 32.64 C ATOM 152 CG ASN A 14 -39.488 -11.975 -9.623 1.00 32.73 C ATOM 153 OD1 ASN A 14 -39.354 -12.714 -8.648 1.00 32.81 O ATOM 154 ND2 ASN A 14 -39.227 -12.371 -10.863 1.00 32.80 N ATOM 155 HD22 ASN A 14 -39.355 -11.712 -11.657 1.00 0.00 H ATOM 156 HD21 ASN A 14 -38.895 -13.340 -11.040 1.00 0.00 H ATOM 157 H ASN A 14 -42.596 -12.118 -8.599 1.00 0.00 H ATOM 158 N PHE A 15 -42.832 -8.753 -7.876 1.00 31.99 N ATOM 159 CA PHE A 15 -43.401 -7.410 -7.759 1.00 31.70 C ATOM 160 C PHE A 15 -42.492 -6.485 -6.951 1.00 31.49 C ATOM 161 O PHE A 15 -42.081 -6.820 -5.839 1.00 31.52 O ATOM 162 CB PHE A 15 -44.794 -7.458 -7.124 1.00 31.58 C ATOM 163 CG PHE A 15 -45.400 -6.100 -6.894 1.00 31.46 C ATOM 164 CD1 PHE A 15 -45.876 -5.349 -7.961 1.00 31.41 C ATOM 165 CD2 PHE A 15 -45.484 -5.568 -5.614 1.00 31.39 C ATOM 166 CE1 PHE A 15 -46.428 -4.095 -7.754 1.00 31.40 C ATOM 167 CE2 PHE A 15 -46.036 -4.315 -5.402 1.00 31.42 C ATOM 168 CZ PHE A 15 -46.509 -3.578 -6.473 1.00 31.38 C ATOM 169 H PHE A 15 -43.341 -9.557 -7.457 1.00 0.00 H ATOM 170 N ASP A 16 -42.194 -5.322 -7.524 1.00 31.30 N ATOM 171 CA ASP A 16 -41.299 -4.345 -6.914 1.00 31.21 C ATOM 172 C ASP A 16 -42.114 -3.187 -6.341 1.00 31.10 C ATOM 173 O ASP A 16 -42.727 -2.420 -7.087 1.00 30.93 O ATOM 174 CB ASP A 16 -40.300 -3.837 -7.959 1.00 31.17 C ATOM 175 CG ASP A 16 -39.068 -3.206 -7.337 1.00 31.20 C ATOM 176 OD1 ASP A 16 -39.209 -2.388 -6.403 1.00 31.16 O ATOM 177 OD2 ASP A 16 -37.953 -3.529 -7.795 1.00 31.29 O ATOM 178 H ASP A 16 -42.618 -5.100 -8.447 1.00 0.00 H ATOM 179 N LYS A 17 -42.116 -3.070 -5.016 1.00 31.08 N ATOM 180 CA LYS A 17 -42.887 -2.034 -4.326 1.00 31.12 C ATOM 181 C LYS A 17 -42.337 -0.631 -4.585 1.00 30.93 C ATOM 182 O LYS A 17 -43.105 0.315 -4.771 1.00 30.91 O ATOM 183 CB LYS A 17 -42.924 -2.310 -2.819 1.00 31.36 C ATOM 184 CG LYS A 17 -43.720 -3.551 -2.443 1.00 31.54 C ATOM 185 CD LYS A 17 -43.653 -3.847 -0.951 1.00 31.72 C ATOM 186 CE LYS A 17 -42.335 -4.493 -0.555 1.00 31.83 C ATOM 187 NZ LYS A 17 -42.335 -4.918 0.872 1.00 31.97 N ATOM 188 HZ1 LYS A 17 -42.488 -4.088 1.480 1.00 0.00 H ATOM 189 HZ2 LYS A 17 -43.097 -5.608 1.027 1.00 0.00 H ATOM 190 HZ3 LYS A 17 -41.419 -5.354 1.103 1.00 0.00 H ATOM 191 H LYS A 17 -41.551 -3.736 -4.452 1.00 0.00 H ATOM 192 N ALA A 18 -41.011 -0.505 -4.604 1.00 30.72 N ATOM 193 CA ALA A 18 -40.353 0.789 -4.796 1.00 30.51 C ATOM 194 C ALA A 18 -40.593 1.371 -6.191 1.00 30.31 C ATOM 195 O ALA A 18 -40.804 2.576 -6.333 1.00 30.59 O ATOM 196 CB ALA A 18 -38.861 0.667 -4.525 1.00 30.56 C ATOM 197 H ALA A 18 -40.424 -1.354 -4.478 1.00 0.00 H ATOM 198 N ARG A 19 -40.558 0.516 -7.211 1.00 29.89 N ATOM 199 CA ARG A 19 -40.813 0.944 -8.590 1.00 29.63 C ATOM 200 C ARG A 19 -42.289 1.259 -8.847 1.00 29.40 C ATOM 201 O ARG A 19 -42.611 2.038 -9.745 1.00 29.46 O ATOM 202 CB ARG A 19 -40.336 -0.119 -9.583 1.00 29.64 C ATOM 203 CG ARG A 19 -38.825 -0.264 -9.645 1.00 29.64 C ATOM 204 CD ARG A 19 -38.414 -1.386 -10.584 1.00 29.62 C ATOM 205 NE ARG A 19 -38.803 -1.120 -11.968 1.00 29.64 N ATOM 206 CZ ARG A 19 -38.692 -1.993 -12.968 1.00 29.67 C ATOM 207 NH1 ARG A 19 -38.199 -3.211 -12.755 1.00 29.72 N ATOM 208 NH2 ARG A 19 -39.078 -1.648 -14.191 1.00 29.64 N ATOM 209 HE ARG A 19 -39.194 -0.182 -12.188 1.00 0.00 H ATOM 210 HH12 ARG A 19 -38.117 -3.884 -13.544 1.00 0.00 H ATOM 211 HH11 ARG A 19 -37.896 -3.490 -11.800 1.00 0.00 H ATOM 212 HH22 ARG A 19 -38.993 -2.327 -14.974 1.00 0.00 H ATOM 213 HH21 ARG A 19 -39.465 -0.699 -14.366 1.00 0.00 H ATOM 214 H ARG A 19 -40.344 -0.484 -7.024 1.00 0.00 H ATOM 215 N PHE A 20 -43.177 0.650 -8.064 1.00 29.14 N ATOM 216 CA PHE A 20 -44.615 0.894 -8.181 1.00 28.95 C ATOM 217 C PHE A 20 -45.036 2.225 -7.545 1.00 28.84 C ATOM 218 O PHE A 20 -46.145 2.703 -7.786 1.00 28.80 O ATOM 219 CB PHE A 20 -45.399 -0.263 -7.549 1.00 28.86 C ATOM 220 CG PHE A 20 -46.844 -0.317 -7.963 1.00 28.76 C ATOM 221 CD1 PHE A 20 -47.202 -0.801 -9.214 1.00 28.67 C ATOM 222 CD2 PHE A 20 -47.847 0.109 -7.101 1.00 28.74 C ATOM 223 CE1 PHE A 20 -48.530 -0.855 -9.600 1.00 28.64 C ATOM 224 CE2 PHE A 20 -49.178 0.057 -7.482 1.00 28.71 C ATOM 225 CZ PHE A 20 -49.520 -0.426 -8.733 1.00 28.68 C ATOM 226 H PHE A 20 -42.837 -0.021 -7.346 1.00 0.00 H ATOM 227 N SER A 21 -44.154 2.817 -6.739 1.00 28.70 N ATOM 228 CA SER A 21 -44.433 4.093 -6.073 1.00 28.61 C ATOM 229 C SER A 21 -44.668 5.235 -7.058 1.00 28.42 C ATOM 230 O SER A 21 -44.294 5.150 -8.230 1.00 28.30 O ATOM 231 CB SER A 21 -43.285 4.465 -5.133 1.00 28.66 C ATOM 232 OG SER A 21 -43.080 3.458 -4.159 1.00 28.87 O ATOM 233 HG SER A 21 -42.858 2.605 -4.610 1.00 0.00 H ATOM 234 H SER A 21 -43.235 2.357 -6.577 1.00 0.00 H ATOM 235 N GLY A 22 -45.286 6.304 -6.562 1.00 28.26 N ATOM 236 CA GLY A 22 -45.628 7.466 -7.379 1.00 28.17 C ATOM 237 C GLY A 22 -47.115 7.531 -7.671 1.00 28.04 C ATOM 238 O GLY A 22 -47.907 6.801 -7.073 1.00 27.98 O ATOM 239 H GLY A 22 -45.536 6.313 -5.552 1.00 0.00 H ATOM 240 N THR A 23 -47.489 8.402 -8.605 1.00 27.83 N ATOM 241 CA THR A 23 -48.894 8.639 -8.928 1.00 27.65 C ATOM 242 C THR A 23 -49.424 7.605 -9.922 1.00 27.41 C ATOM 243 O THR A 23 -48.730 7.226 -10.868 1.00 27.35 O ATOM 244 CB THR A 23 -49.101 10.050 -9.517 1.00 27.72 C ATOM 245 OG1 THR A 23 -48.373 11.010 -8.741 1.00 27.78 O ATOM 246 CG2 THR A 23 -50.581 10.424 -9.526 1.00 27.77 C ATOM 247 HG1 THR A 23 -48.699 10.993 -7.807 1.00 0.00 H ATOM 248 H THR A 23 -46.758 8.931 -9.122 1.00 0.00 H ATOM 249 N TRP A 24 -50.656 7.156 -9.690 1.00 27.09 N ATOM 250 CA TRP A 24 -51.358 6.250 -10.596 1.00 26.86 C ATOM 251 C TRP A 24 -52.776 6.766 -10.831 1.00 26.92 C ATOM 252 O TRP A 24 -53.537 6.957 -9.880 1.00 26.81 O ATOM 253 CB TRP A 24 -51.425 4.838 -10.008 1.00 26.72 C ATOM 254 CG TRP A 24 -50.146 4.054 -10.099 1.00 26.55 C ATOM 255 CD1 TRP A 24 -49.289 3.764 -9.077 1.00 26.50 C ATOM 256 CD2 TRP A 24 -49.591 3.441 -11.272 1.00 26.38 C ATOM 257 NE1 TRP A 24 -48.233 3.015 -9.540 1.00 26.45 N ATOM 258 CE2 TRP A 24 -48.394 2.803 -10.884 1.00 26.37 C ATOM 259 CE3 TRP A 24 -49.988 3.373 -12.614 1.00 26.37 C ATOM 260 CZ2 TRP A 24 -47.588 2.107 -11.789 1.00 26.32 C ATOM 261 CZ3 TRP A 24 -49.186 2.679 -13.513 1.00 26.33 C ATOM 262 CH2 TRP A 24 -48.000 2.056 -13.095 1.00 26.32 C ATOM 263 HE1 TRP A 24 -47.441 2.666 -8.964 1.00 0.00 H ATOM 264 H TRP A 24 -51.141 7.465 -8.823 1.00 0.00 H ATOM 265 N TYR A 25 -53.123 6.993 -12.096 1.00 26.95 N ATOM 266 CA TYR A 25 -54.451 7.468 -12.475 1.00 27.07 C ATOM 267 C TYR A 25 -55.315 6.307 -12.956 1.00 27.21 C ATOM 268 O TYR A 25 -54.985 5.654 -13.948 1.00 27.17 O ATOM 269 CB TYR A 25 -54.343 8.515 -13.585 1.00 27.10 C ATOM 270 CG TYR A 25 -53.548 9.743 -13.200 1.00 27.14 C ATOM 271 CD1 TYR A 25 -52.170 9.792 -13.391 1.00 27.19 C ATOM 272 CD2 TYR A 25 -54.175 10.857 -12.650 1.00 27.20 C ATOM 273 CE1 TYR A 25 -51.438 10.915 -13.041 1.00 27.30 C ATOM 274 CE2 TYR A 25 -53.451 11.985 -12.297 1.00 27.30 C ATOM 275 CZ TYR A 25 -52.083 12.009 -12.495 1.00 27.34 C ATOM 276 OH TYR A 25 -51.360 13.126 -12.146 1.00 27.58 O ATOM 277 HH TYR A 25 -50.403 12.976 -12.353 1.00 0.00 H ATOM 278 H TYR A 25 -52.420 6.825 -12.844 1.00 0.00 H ATOM 279 N ALA A 26 -56.418 6.052 -12.254 1.00 27.30 N ATOM 280 CA ALA A 26 -57.360 5.007 -12.648 1.00 27.43 C ATOM 281 C ALA A 26 -58.209 5.487 -13.823 1.00 27.58 C ATOM 282 O ALA A 26 -58.980 6.439 -13.689 1.00 27.54 O ATOM 283 CB ALA A 26 -58.247 4.623 -11.475 1.00 27.46 C ATOM 284 H ALA A 26 -56.614 6.613 -11.401 1.00 0.00 H ATOM 285 N MET A 27 -58.055 4.830 -14.971 1.00 27.71 N ATOM 286 CA MET A 27 -58.780 5.200 -16.190 1.00 27.82 C ATOM 287 C MET A 27 -60.032 4.348 -16.411 1.00 27.81 C ATOM 288 O MET A 27 -61.013 4.824 -16.984 1.00 27.85 O ATOM 289 CB MET A 27 -57.852 5.101 -17.403 1.00 27.93 C ATOM 290 CG MET A 27 -56.654 6.035 -17.324 1.00 28.06 C ATOM 291 SD MET A 27 -55.828 6.290 -18.908 1.00 28.34 S ATOM 292 CE MET A 27 -57.048 7.275 -19.774 1.00 28.30 C ATOM 293 H MET A 27 -57.397 4.026 -15.004 1.00 0.00 H ATOM 294 N ALA A 28 -59.993 3.092 -15.966 1.00 27.74 N ATOM 295 CA ALA A 28 -61.154 2.203 -16.028 1.00 27.75 C ATOM 296 C ALA A 28 -61.305 1.441 -14.716 1.00 27.86 C ATOM 297 O ALA A 28 -60.344 1.299 -13.957 1.00 27.72 O ATOM 298 CB ALA A 28 -61.020 1.235 -17.191 1.00 27.75 C ATOM 299 H ALA A 28 -59.106 2.731 -15.560 1.00 0.00 H ATOM 300 N LYS A 29 -62.515 0.954 -14.456 1.00 28.00 N ATOM 301 CA LYS A 29 -62.808 0.243 -13.214 1.00 28.32 C ATOM 302 C LYS A 29 -63.910 -0.799 -13.382 1.00 28.41 C ATOM 303 O LYS A 29 -64.759 -0.683 -14.267 1.00 28.30 O ATOM 304 CB LYS A 29 -63.219 1.237 -12.122 1.00 28.45 C ATOM 305 CG LYS A 29 -64.445 2.068 -12.472 1.00 28.61 C ATOM 306 CD LYS A 29 -65.054 2.743 -11.253 1.00 28.75 C ATOM 307 CE LYS A 29 -66.484 3.185 -11.528 1.00 28.85 C ATOM 308 NZ LYS A 29 -67.178 3.654 -10.299 1.00 28.95 N ATOM 309 HZ1 LYS A 29 -67.208 2.882 -9.603 1.00 0.00 H ATOM 310 HZ2 LYS A 29 -66.662 4.463 -9.899 1.00 0.00 H ATOM 311 HZ3 LYS A 29 -68.148 3.944 -10.539 1.00 0.00 H ATOM 312 H LYS A 29 -63.273 1.083 -15.156 1.00 0.00 H ATOM 313 N LYS A 30 -63.879 -1.811 -12.520 1.00 28.52 N ATOM 314 CA LYS A 30 -64.969 -2.771 -12.385 1.00 28.69 C ATOM 315 C LYS A 30 -65.476 -2.674 -10.950 1.00 28.90 C ATOM 316 O LYS A 30 -64.693 -2.776 -10.007 1.00 28.70 O ATOM 317 CB LYS A 30 -64.481 -4.187 -12.702 1.00 28.70 C ATOM 318 CG LYS A 30 -65.587 -5.231 -12.789 1.00 28.77 C ATOM 319 CD LYS A 30 -65.796 -5.962 -11.471 1.00 28.87 C ATOM 320 CE LYS A 30 -67.081 -6.771 -11.479 1.00 28.94 C ATOM 321 NZ LYS A 30 -67.270 -7.511 -10.203 1.00 28.99 N ATOM 322 HZ1 LYS A 30 -66.472 -8.163 -10.060 1.00 0.00 H ATOM 323 HZ2 LYS A 30 -67.312 -6.834 -9.414 1.00 0.00 H ATOM 324 HZ3 LYS A 30 -68.157 -8.052 -10.245 1.00 0.00 H ATOM 325 H LYS A 30 -63.040 -1.923 -11.915 1.00 0.00 H ATOM 326 N ASP A 31 -66.782 -2.475 -10.789 1.00 29.27 N ATOM 327 CA ASP A 31 -67.367 -2.193 -9.476 1.00 29.58 C ATOM 328 C ASP A 31 -67.758 -3.464 -8.724 1.00 29.65 C ATOM 329 O ASP A 31 -68.097 -4.474 -9.344 1.00 29.60 O ATOM 330 CB ASP A 31 -68.609 -1.301 -9.614 1.00 29.77 C ATOM 331 CG ASP A 31 -68.268 0.148 -9.921 1.00 29.97 C ATOM 332 OD1 ASP A 31 -67.070 0.482 -10.037 1.00 30.26 O ATOM 333 OD2 ASP A 31 -69.208 0.960 -10.043 1.00 30.04 O ATOM 334 H ASP A 31 -67.406 -2.521 -11.620 1.00 0.00 H ATOM 335 N PRO A 32 -67.717 -3.410 -7.379 1.00 29.79 N ATOM 336 CA PRO A 32 -68.319 -4.438 -6.548 1.00 29.97 C ATOM 337 C PRO A 32 -69.763 -4.057 -6.229 1.00 30.18 C ATOM 338 O PRO A 32 -70.245 -3.027 -6.706 1.00 30.16 O ATOM 339 CB PRO A 32 -67.457 -4.395 -5.288 1.00 29.87 C ATOM 340 CG PRO A 32 -67.047 -2.962 -5.172 1.00 29.81 C ATOM 341 CD PRO A 32 -67.100 -2.355 -6.552 1.00 29.79 C ATOM 342 N GLU A 33 -70.446 -4.877 -5.436 1.00 30.40 N ATOM 343 CA GLU A 33 -71.805 -4.557 -4.997 1.00 30.63 C ATOM 344 C GLU A 33 -71.768 -3.513 -3.882 1.00 30.35 C ATOM 345 O GLU A 33 -70.862 -3.518 -3.049 1.00 30.23 O ATOM 346 CB GLU A 33 -72.544 -5.818 -4.535 1.00 31.15 C ATOM 347 CG GLU A 33 -73.060 -6.669 -5.687 1.00 31.63 C ATOM 348 CD GLU A 33 -73.574 -8.029 -5.250 1.00 32.14 C ATOM 349 OE1 GLU A 33 -73.862 -8.212 -4.047 1.00 32.70 O ATOM 350 OE2 GLU A 33 -73.693 -8.919 -6.118 1.00 32.46 O ATOM 351 H GLU A 33 -70.005 -5.765 -5.121 1.00 0.00 H ATOM 352 N GLY A 34 -72.751 -2.615 -3.883 1.00 30.09 N ATOM 353 CA GLY A 34 -72.844 -1.558 -2.878 1.00 29.91 C ATOM 354 C GLY A 34 -72.129 -0.282 -3.284 1.00 29.75 C ATOM 355 O GLY A 34 -71.800 -0.084 -4.455 1.00 29.73 O ATOM 356 H GLY A 34 -73.478 -2.668 -4.625 1.00 0.00 H ATOM 357 N LEU A 35 -71.887 0.583 -2.301 1.00 29.53 N ATOM 358 CA LEU A 35 -71.277 1.891 -2.537 1.00 29.44 C ATOM 359 C LEU A 35 -69.797 1.757 -2.893 1.00 29.34 C ATOM 360 O LEU A 35 -69.081 0.950 -2.300 1.00 29.36 O ATOM 361 CB LEU A 35 -71.435 2.770 -1.294 1.00 29.44 C ATOM 362 CG LEU A 35 -71.011 4.237 -1.411 1.00 29.46 C ATOM 363 CD1 LEU A 35 -71.920 4.990 -2.372 1.00 29.44 C ATOM 364 CD2 LEU A 35 -71.004 4.905 -0.043 1.00 29.54 C ATOM 365 H LEU A 35 -72.142 0.318 -1.328 1.00 0.00 H ATOM 366 N PHE A 36 -69.346 2.557 -3.858 1.00 29.29 N ATOM 367 CA PHE A 36 -67.963 2.503 -4.335 1.00 29.24 C ATOM 368 C PHE A 36 -67.538 3.840 -4.945 1.00 29.35 C ATOM 369 O PHE A 36 -68.383 4.676 -5.269 1.00 29.34 O ATOM 370 CB PHE A 36 -67.811 1.376 -5.363 1.00 29.12 C ATOM 371 CG PHE A 36 -66.388 0.951 -5.598 1.00 29.00 C ATOM 372 CD1 PHE A 36 -65.672 0.296 -4.604 1.00 28.92 C ATOM 373 CD2 PHE A 36 -65.764 1.198 -6.815 1.00 28.93 C ATOM 374 CE1 PHE A 36 -64.362 -0.099 -4.815 1.00 28.84 C ATOM 375 CE2 PHE A 36 -64.454 0.804 -7.032 1.00 28.86 C ATOM 376 CZ PHE A 36 -63.752 0.155 -6.031 1.00 28.84 C ATOM 377 H PHE A 36 -69.999 3.243 -4.287 1.00 0.00 H ATOM 378 N LEU A 37 -66.228 4.040 -5.083 1.00 29.57 N ATOM 379 CA LEU A 37 -65.678 5.242 -5.719 1.00 29.79 C ATOM 380 C LEU A 37 -66.212 5.382 -7.143 1.00 30.05 C ATOM 381 O LEU A 37 -66.294 4.396 -7.877 1.00 29.96 O ATOM 382 CB LEU A 37 -64.147 5.185 -5.753 1.00 29.86 C ATOM 383 CG LEU A 37 -63.399 5.170 -4.416 1.00 29.88 C ATOM 384 CD1 LEU A 37 -61.909 4.969 -4.652 1.00 29.93 C ATOM 385 CD2 LEU A 37 -63.654 6.446 -3.627 1.00 29.89 C ATOM 386 H LEU A 37 -65.571 3.317 -4.727 1.00 0.00 H ATOM 387 N GLN A 38 -66.566 6.608 -7.527 1.00 30.39 N ATOM 388 CA GLN A 38 -67.221 6.860 -8.811 1.00 30.67 C ATOM 389 C GLN A 38 -66.213 7.218 -9.907 1.00 30.64 C ATOM 390 O GLN A 38 -66.102 6.507 -10.907 1.00 30.81 O ATOM 391 CB GLN A 38 -68.278 7.963 -8.660 1.00 30.98 C ATOM 392 CG GLN A 38 -69.476 7.813 -9.588 1.00 31.29 C ATOM 393 CD GLN A 38 -70.333 6.596 -9.271 1.00 31.53 C ATOM 394 OE1 GLN A 38 -70.212 5.991 -8.204 1.00 31.68 O ATOM 395 NE2 GLN A 38 -71.206 6.231 -10.204 1.00 31.75 N ATOM 396 HE22 GLN A 38 -71.275 6.770 -11.091 1.00 0.00 H ATOM 397 HE21 GLN A 38 -71.820 5.406 -10.048 1.00 0.00 H ATOM 398 H GLN A 38 -66.371 7.410 -6.895 1.00 0.00 H ATOM 399 N ASP A 39 -65.482 8.315 -9.715 1.00 30.56 N ATOM 400 CA ASP A 39 -64.488 8.770 -10.695 1.00 30.55 C ATOM 401 C ASP A 39 -63.465 9.719 -10.057 1.00 30.37 C ATOM 402 O ASP A 39 -63.508 9.952 -8.847 1.00 30.34 O ATOM 403 CB ASP A 39 -65.182 9.414 -11.906 1.00 30.62 C ATOM 404 CG ASP A 39 -66.129 10.538 -11.519 1.00 30.66 C ATOM 405 OD1 ASP A 39 -65.806 11.323 -10.603 1.00 30.65 O ATOM 406 OD2 ASP A 39 -67.204 10.642 -12.147 1.00 30.72 O ATOM 407 H ASP A 39 -65.620 8.866 -8.844 1.00 0.00 H ATOM 408 N ASN A 40 -62.546 10.247 -10.870 1.00 30.26 N ATOM 409 CA ASN A 40 -61.433 11.080 -10.391 1.00 30.20 C ATOM 410 C ASN A 40 -60.569 10.329 -9.373 1.00 30.07 C ATOM 411 O ASN A 40 -60.085 10.910 -8.399 1.00 30.03 O ATOM 412 CB ASN A 40 -61.941 12.408 -9.808 1.00 30.25 C ATOM 413 CG ASN A 40 -62.581 13.300 -10.856 1.00 30.42 C ATOM 414 OD1 ASN A 40 -61.886 13.977 -11.614 1.00 30.54 O ATOM 415 ND2 ASN A 40 -63.909 13.319 -10.894 1.00 30.38 N ATOM 416 HD22 ASN A 40 -64.457 12.730 -10.234 1.00 0.00 H ATOM 417 HD21 ASN A 40 -64.401 13.923 -11.584 1.00 0.00 H ATOM 418 H ASN A 40 -62.621 10.060 -11.890 1.00 0.00 H ATOM 419 N ILE A 41 -60.370 9.037 -9.625 1.00 29.99 N ATOM 420 CA ILE A 41 -59.687 8.150 -8.687 1.00 30.03 C ATOM 421 C ILE A 41 -58.182 8.137 -8.953 1.00 30.22 C ATOM 422 O ILE A 41 -57.714 7.487 -9.890 1.00 30.34 O ATOM 423 CB ILE A 41 -60.251 6.713 -8.766 1.00 29.88 C ATOM 424 CG1 ILE A 41 -61.746 6.711 -8.420 1.00 29.80 C ATOM 425 CG2 ILE A 41 -59.489 5.781 -7.829 1.00 29.83 C ATOM 426 CD1 ILE A 41 -62.481 5.461 -8.855 1.00 29.77 C ATOM 427 H ILE A 41 -60.714 8.644 -10.524 1.00 0.00 H ATOM 428 N VAL A 42 -57.435 8.865 -8.124 1.00 30.34 N ATOM 429 CA VAL A 42 -55.977 8.923 -8.216 1.00 30.48 C ATOM 430 C VAL A 42 -55.363 8.271 -6.982 1.00 30.56 C ATOM 431 O VAL A 42 -55.780 8.549 -5.857 1.00 30.49 O ATOM 432 CB VAL A 42 -55.474 10.378 -8.318 1.00 30.59 C ATOM 433 CG1 VAL A 42 -53.955 10.418 -8.445 1.00 30.67 C ATOM 434 CG2 VAL A 42 -56.131 11.087 -9.494 1.00 30.72 C ATOM 435 H VAL A 42 -57.909 9.415 -7.380 1.00 0.00 H ATOM 436 N ALA A 43 -54.372 7.409 -7.201 1.00 30.68 N ATOM 437 CA ALA A 43 -53.661 6.736 -6.117 1.00 30.80 C ATOM 438 C ALA A 43 -52.204 7.188 -6.083 1.00 30.99 C ATOM 439 O ALA A 43 -51.590 7.396 -7.130 1.00 30.86 O ATOM 440 CB ALA A 43 -53.742 5.229 -6.292 1.00 30.82 C ATOM 441 H ALA A 43 -54.093 7.207 -8.182 1.00 0.00 H ATOM 442 N GLU A 44 -51.663 7.337 -4.876 1.00 31.24 N ATOM 443 CA GLU A 44 -50.270 7.731 -4.678 1.00 31.59 C ATOM 444 C GLU A 44 -49.595 6.719 -3.756 1.00 31.85 C ATOM 445 O GLU A 44 -49.854 6.708 -2.555 1.00 32.02 O ATOM 446 CB GLU A 44 -50.200 9.137 -4.072 1.00 31.63 C ATOM 447 CG GLU A 44 -48.793 9.710 -3.927 1.00 31.66 C ATOM 448 CD GLU A 44 -48.129 10.015 -5.257 1.00 31.70 C ATOM 449 OE1 GLU A 44 -48.841 10.374 -6.218 1.00 31.69 O ATOM 450 OE2 GLU A 44 -46.888 9.904 -5.340 1.00 31.70 O ATOM 451 H GLU A 44 -52.256 7.166 -4.039 1.00 0.00 H ATOM 452 N PHE A 45 -48.736 5.873 -4.323 1.00 32.14 N ATOM 453 CA PHE A 45 -48.062 4.816 -3.561 1.00 32.44 C ATOM 454 C PHE A 45 -46.691 5.263 -3.056 1.00 33.04 C ATOM 455 O PHE A 45 -46.018 6.071 -3.696 1.00 33.04 O ATOM 456 CB PHE A 45 -47.918 3.551 -4.413 1.00 32.16 C ATOM 457 CG PHE A 45 -49.194 2.769 -4.558 1.00 31.98 C ATOM 458 CD1 PHE A 45 -50.190 3.195 -5.427 1.00 31.92 C ATOM 459 CD2 PHE A 45 -49.399 1.605 -3.828 1.00 31.86 C ATOM 460 CE1 PHE A 45 -51.368 2.477 -5.563 1.00 31.86 C ATOM 461 CE2 PHE A 45 -50.574 0.883 -3.960 1.00 31.86 C ATOM 462 CZ PHE A 45 -51.560 1.319 -4.828 1.00 31.85 C ATOM 463 H PHE A 45 -48.537 5.965 -5.340 1.00 0.00 H ATOM 464 N SER A 46 -46.290 4.725 -1.905 1.00 33.91 N ATOM 465 CA SER A 46 -45.002 5.048 -1.287 1.00 34.64 C ATOM 466 C SER A 46 -44.455 3.858 -0.502 1.00 35.42 C ATOM 467 O SER A 46 -45.206 2.961 -0.117 1.00 35.36 O ATOM 468 CB SER A 46 -45.146 6.251 -0.351 1.00 34.62 C ATOM 469 OG SER A 46 -45.492 7.424 -1.065 1.00 34.68 O ATOM 470 HG SER A 46 -44.786 7.625 -1.729 1.00 0.00 H ATOM 471 H SER A 46 -46.917 4.048 -1.426 1.00 0.00 H ATOM 472 N VAL A 47 -43.143 3.863 -0.275 1.00 36.49 N ATOM 473 CA VAL A 47 -42.471 2.840 0.532 1.00 37.29 C ATOM 474 C VAL A 47 -41.508 3.518 1.508 1.00 38.13 C ATOM 475 O VAL A 47 -40.847 4.497 1.155 1.00 38.29 O ATOM 476 CB VAL A 47 -41.693 1.837 -0.349 1.00 37.33 C ATOM 477 CG1 VAL A 47 -41.059 0.745 0.506 1.00 37.38 C ATOM 478 CG2 VAL A 47 -42.609 1.223 -1.400 1.00 37.34 C ATOM 479 H VAL A 47 -42.570 4.626 -0.688 1.00 0.00 H ATOM 480 N ASP A 48 -41.430 2.986 2.727 1.00 39.14 N ATOM 481 CA ASP A 48 -40.596 3.565 3.789 1.00 40.02 C ATOM 482 C ASP A 48 -39.281 2.791 3.964 1.00 40.58 C ATOM 483 O ASP A 48 -39.004 1.852 3.214 1.00 40.74 O ATOM 484 CB ASP A 48 -41.385 3.633 5.109 1.00 40.25 C ATOM 485 CG ASP A 48 -41.696 2.260 5.693 1.00 40.56 C ATOM 486 OD1 ASP A 48 -41.655 1.256 4.949 1.00 41.01 O ATOM 487 OD2 ASP A 48 -41.995 2.190 6.903 1.00 40.72 O ATOM 488 H ASP A 48 -41.980 2.128 2.935 1.00 0.00 H ATOM 489 N GLU A 49 -38.479 3.199 4.948 1.00 41.30 N ATOM 490 CA GLU A 49 -37.185 2.565 5.241 1.00 41.65 C ATOM 491 C GLU A 49 -37.272 1.045 5.397 1.00 41.53 C ATOM 492 O GLU A 49 -36.459 0.312 4.833 1.00 41.84 O ATOM 493 CB GLU A 49 -36.576 3.163 6.516 1.00 42.07 C ATOM 494 CG GLU A 49 -36.012 4.568 6.353 1.00 42.40 C ATOM 495 CD GLU A 49 -34.580 4.575 5.847 1.00 42.72 C ATOM 496 OE1 GLU A 49 -33.740 5.277 6.451 1.00 43.03 O ATOM 497 OE2 GLU A 49 -34.288 3.877 4.853 1.00 42.93 O ATOM 498 H GLU A 49 -38.782 4.002 5.535 1.00 0.00 H ATOM 499 N THR A 50 -38.259 0.584 6.163 1.00 41.18 N ATOM 500 CA THR A 50 -38.428 -0.845 6.441 1.00 40.93 C ATOM 501 C THR A 50 -38.829 -1.656 5.205 1.00 40.56 C ATOM 502 O THR A 50 -38.590 -2.863 5.152 1.00 40.82 O ATOM 503 CB THR A 50 -39.479 -1.084 7.544 1.00 41.08 C ATOM 504 OG1 THR A 50 -40.711 -0.445 7.185 1.00 41.16 O ATOM 505 CG2 THR A 50 -38.993 -0.537 8.879 1.00 41.13 C ATOM 506 HG1 THR A 50 -40.559 0.528 7.081 1.00 0.00 H ATOM 507 H THR A 50 -38.932 1.260 6.577 1.00 0.00 H ATOM 508 N GLY A 51 -39.440 -0.993 4.225 1.00 39.99 N ATOM 509 CA GLY A 51 -39.867 -1.643 2.986 1.00 39.42 C ATOM 510 C GLY A 51 -41.365 -1.885 2.908 1.00 38.79 C ATOM 511 O GLY A 51 -41.846 -2.474 1.939 1.00 38.81 O ATOM 512 H GLY A 51 -39.620 0.024 4.345 1.00 0.00 H ATOM 513 N GLN A 52 -42.104 -1.434 3.921 1.00 38.04 N ATOM 514 CA GLN A 52 -43.557 -1.579 3.939 1.00 37.55 C ATOM 515 C GLN A 52 -44.192 -0.559 3.000 1.00 36.49 C ATOM 516 O GLN A 52 -43.892 0.634 3.073 1.00 36.31 O ATOM 517 CB GLN A 52 -44.102 -1.383 5.356 1.00 37.97 C ATOM 518 CG GLN A 52 -45.536 -1.865 5.539 1.00 38.34 C ATOM 519 CD GLN A 52 -46.256 -1.154 6.671 1.00 38.68 C ATOM 520 OE1 GLN A 52 -46.419 0.066 6.644 1.00 39.07 O ATOM 521 NE2 GLN A 52 -46.701 -1.914 7.668 1.00 38.81 N ATOM 522 HE22 GLN A 52 -46.541 -2.941 7.650 1.00 0.00 H ATOM 523 HE21 GLN A 52 -47.209 -1.481 8.465 1.00 0.00 H ATOM 524 H GLN A 52 -41.633 -0.966 4.721 1.00 0.00 H ATOM 525 N MET A 53 -45.072 -1.034 2.123 1.00 35.36 N ATOM 526 CA MET A 53 -45.754 -0.169 1.169 1.00 34.53 C ATOM 527 C MET A 53 -46.968 0.493 1.814 1.00 34.04 C ATOM 528 O MET A 53 -47.635 -0.101 2.663 1.00 33.87 O ATOM 529 CB MET A 53 -46.191 -0.970 -0.060 1.00 34.26 C ATOM 530 CG MET A 53 -46.695 -0.118 -1.214 1.00 34.04 C ATOM 531 SD MET A 53 -46.875 -1.054 -2.744 1.00 33.76 S ATOM 532 CE MET A 53 -48.162 -2.214 -2.287 1.00 33.76 C ATOM 533 H MET A 53 -45.280 -2.053 2.118 1.00 0.00 H ATOM 534 N SER A 54 -47.236 1.730 1.405 1.00 33.58 N ATOM 535 CA SER A 54 -48.431 2.461 1.820 1.00 33.30 C ATOM 536 C SER A 54 -48.916 3.317 0.657 1.00 33.15 C ATOM 537 O SER A 54 -48.195 3.499 -0.327 1.00 32.99 O ATOM 538 CB SER A 54 -48.133 3.342 3.034 1.00 33.22 C ATOM 539 OG SER A 54 -47.177 4.341 2.720 1.00 33.20 O ATOM 540 HG SER A 54 -46.335 3.910 2.427 1.00 0.00 H ATOM 541 H SER A 54 -46.566 2.197 0.762 1.00 0.00 H ATOM 542 N ALA A 55 -50.136 3.837 0.766 1.00 33.03 N ATOM 543 CA ALA A 55 -50.692 4.687 -0.283 1.00 32.90 C ATOM 544 C ALA A 55 -51.848 5.552 0.202 1.00 32.85 C ATOM 545 O ALA A 55 -52.535 5.212 1.167 1.00 32.76 O ATOM 546 CB ALA A 55 -51.144 3.840 -1.465 1.00 32.90 C ATOM 547 H ALA A 55 -50.704 3.634 1.614 1.00 0.00 H ATOM 548 N THR A 56 -52.042 6.678 -0.481 1.00 32.86 N ATOM 549 CA THR A 56 -53.219 7.518 -0.301 1.00 32.95 C ATOM 550 C THR A 56 -54.063 7.430 -1.568 1.00 33.05 C ATOM 551 O THR A 56 -53.532 7.179 -2.652 1.00 32.93 O ATOM 552 CB THR A 56 -52.840 8.987 -0.037 1.00 32.92 C ATOM 553 OG1 THR A 56 -52.148 9.523 -1.171 1.00 32.95 O ATOM 554 CG2 THR A 56 -51.954 9.102 1.196 1.00 32.91 C ATOM 555 HG1 THR A 56 -52.734 9.474 -1.967 1.00 0.00 H ATOM 556 H THR A 56 -51.323 6.971 -1.173 1.00 0.00 H ATOM 557 N ALA A 57 -55.370 7.631 -1.430 1.00 33.22 N ATOM 558 CA ALA A 57 -56.287 7.531 -2.563 1.00 33.46 C ATOM 559 C ALA A 57 -57.417 8.550 -2.464 1.00 33.73 C ATOM 560 O ALA A 57 -58.152 8.576 -1.476 1.00 33.61 O ATOM 561 CB ALA A 57 -56.856 6.123 -2.652 1.00 33.53 C ATOM 562 H ALA A 57 -55.750 7.866 -0.491 1.00 0.00 H ATOM 563 N LYS A 58 -57.542 9.386 -3.494 1.00 34.04 N ATOM 564 CA LYS A 58 -58.644 10.339 -3.606 1.00 34.33 C ATOM 565 C LYS A 58 -59.654 9.845 -4.635 1.00 34.32 C ATOM 566 O LYS A 58 -59.336 8.993 -5.463 1.00 34.28 O ATOM 567 CB LYS A 58 -58.124 11.720 -4.008 1.00 34.66 C ATOM 568 CG LYS A 58 -57.200 12.354 -2.981 1.00 34.92 C ATOM 569 CD LYS A 58 -56.960 13.831 -3.261 1.00 35.14 C ATOM 570 CE LYS A 58 -58.140 14.688 -2.825 1.00 35.32 C ATOM 571 NZ LYS A 58 -57.865 16.143 -2.979 1.00 35.48 N ATOM 572 HZ1 LYS A 58 -57.043 16.403 -2.397 1.00 0.00 H ATOM 573 HZ2 LYS A 58 -57.664 16.353 -3.978 1.00 0.00 H ATOM 574 HZ3 LYS A 58 -58.696 16.686 -2.670 1.00 0.00 H ATOM 575 H LYS A 58 -56.827 9.359 -4.248 1.00 0.00 H ATOM 576 N GLY A 59 -60.870 10.382 -4.579 1.00 34.30 N ATOM 577 CA GLY A 59 -61.919 10.002 -5.525 1.00 34.34 C ATOM 578 C GLY A 59 -63.286 10.557 -5.171 1.00 34.36 C ATOM 579 O GLY A 59 -63.586 10.788 -3.999 1.00 34.34 O ATOM 580 H GLY A 59 -61.080 11.089 -3.845 1.00 0.00 H ATOM 581 N ARG A 60 -64.114 10.767 -6.193 1.00 34.46 N ATOM 582 CA ARG A 60 -65.479 11.254 -6.002 1.00 34.61 C ATOM 583 C ARG A 60 -66.407 10.095 -5.647 1.00 34.75 C ATOM 584 O ARG A 60 -66.296 9.007 -6.216 1.00 34.45 O ATOM 585 CB ARG A 60 -65.983 11.955 -7.267 1.00 34.62 C ATOM 586 CG ARG A 60 -67.325 12.652 -7.095 1.00 34.68 C ATOM 587 CD ARG A 60 -67.738 13.416 -8.344 1.00 34.73 C ATOM 588 NE ARG A 60 -68.087 12.536 -9.461 1.00 34.78 N ATOM 589 CZ ARG A 60 -69.222 11.843 -9.563 1.00 34.87 C ATOM 590 NH1 ARG A 60 -70.150 11.900 -8.612 1.00 34.89 N ATOM 591 NH2 ARG A 60 -69.433 11.077 -10.628 1.00 34.86 N ATOM 592 HE ARG A 60 -67.397 12.444 -10.234 1.00 0.00 H ATOM 593 HH12 ARG A 60 -71.029 11.352 -8.709 1.00 0.00 H ATOM 594 HH11 ARG A 60 -69.997 12.492 -7.771 1.00 0.00 H ATOM 595 HH22 ARG A 60 -70.317 10.535 -10.712 1.00 0.00 H ATOM 596 HH21 ARG A 60 -68.715 11.020 -11.378 1.00 0.00 H ATOM 597 H ARG A 60 -63.778 10.578 -7.159 1.00 0.00 H ATOM 598 N VAL A 61 -67.320 10.339 -4.708 1.00 35.08 N ATOM 599 CA VAL A 61 -68.290 9.333 -4.276 1.00 35.45 C ATOM 600 C VAL A 61 -69.702 9.916 -4.318 1.00 35.91 C ATOM 601 O VAL A 61 -69.957 10.981 -3.754 1.00 35.76 O ATOM 602 CB VAL A 61 -67.994 8.837 -2.844 1.00 35.39 C ATOM 603 CG1 VAL A 61 -68.926 7.689 -2.467 1.00 35.38 C ATOM 604 CG2 VAL A 61 -66.538 8.410 -2.717 1.00 35.39 C ATOM 605 H VAL A 61 -67.344 11.280 -4.266 1.00 0.00 H ATOM 606 N ARG A 62 -70.606 9.209 -4.993 1.00 36.70 N ATOM 607 CA ARG A 62 -72.018 9.579 -5.047 1.00 37.51 C ATOM 608 C ARG A 62 -72.753 8.877 -3.905 1.00 37.93 C ATOM 609 O ARG A 62 -73.114 7.703 -4.018 1.00 37.93 O ATOM 610 CB ARG A 62 -72.616 9.173 -6.399 1.00 37.83 C ATOM 611 CG ARG A 62 -73.918 9.876 -6.760 1.00 38.13 C ATOM 612 CD ARG A 62 -73.670 11.290 -7.263 1.00 38.44 C ATOM 613 NE ARG A 62 -74.719 11.744 -8.175 1.00 38.69 N ATOM 614 CZ ARG A 62 -74.616 12.791 -8.996 1.00 38.81 C ATOM 615 NH1 ARG A 62 -73.504 13.521 -9.042 1.00 38.88 N ATOM 616 NH2 ARG A 62 -75.637 13.110 -9.784 1.00 38.97 N ATOM 617 HE ARG A 62 -75.612 11.211 -8.185 1.00 0.00 H ATOM 618 HH12 ARG A 62 -73.442 14.334 -9.688 1.00 0.00 H ATOM 619 HH11 ARG A 62 -72.697 13.279 -8.432 1.00 0.00 H ATOM 620 HH22 ARG A 62 -75.563 13.925 -10.426 1.00 0.00 H ATOM 621 HH21 ARG A 62 -76.510 12.545 -9.759 1.00 0.00 H ATOM 622 H ARG A 62 -70.294 8.358 -5.503 1.00 0.00 H ATOM 623 N LEU A 63 -72.964 9.593 -2.804 1.00 38.61 N ATOM 624 CA LEU A 63 -73.575 9.002 -1.609 1.00 39.14 C ATOM 625 C LEU A 63 -75.085 8.854 -1.768 1.00 39.63 C ATOM 626 O LEU A 63 -75.601 7.735 -1.803 1.00 40.28 O ATOM 627 CB LEU A 63 -73.226 9.822 -0.363 1.00 39.10 C ATOM 628 CG LEU A 63 -71.756 9.694 0.049 1.00 39.11 C ATOM 629 CD1 LEU A 63 -71.378 10.735 1.088 1.00 39.08 C ATOM 630 CD2 LEU A 63 -71.467 8.293 0.563 1.00 39.20 C ATOM 631 H LEU A 63 -72.689 10.596 -2.790 1.00 0.00 H ATOM 632 N LEU A 64 -75.786 9.979 -1.855 1.00 39.86 N ATOM 633 CA LEU A 64 -77.194 9.987 -2.229 1.00 40.18 C ATOM 634 C LEU A 64 -77.278 10.632 -3.607 1.00 40.43 C ATOM 635 O LEU A 64 -76.251 10.992 -4.186 1.00 40.74 O ATOM 636 CB LEU A 64 -78.026 10.751 -1.195 1.00 40.17 C ATOM 637 CG LEU A 64 -77.985 10.192 0.233 1.00 40.20 C ATOM 638 CD1 LEU A 64 -78.682 11.135 1.201 1.00 40.26 C ATOM 639 CD2 LEU A 64 -78.605 8.804 0.299 1.00 40.18 C ATOM 640 H LEU A 64 -75.315 10.883 -1.650 1.00 0.00 H ATOM 641 N ASN A 65 -78.489 10.775 -4.137 1.00 40.51 N ATOM 642 CA ASN A 65 -78.672 11.340 -5.476 1.00 40.53 C ATOM 643 C ASN A 65 -78.196 12.791 -5.606 1.00 40.32 C ATOM 644 O ASN A 65 -77.878 13.238 -6.709 1.00 40.38 O ATOM 645 CB ASN A 65 -80.143 11.246 -5.905 1.00 40.75 C ATOM 646 CG ASN A 65 -80.647 9.813 -5.986 1.00 40.97 C ATOM 647 OD1 ASN A 65 -81.773 9.520 -5.583 1.00 41.25 O ATOM 648 ND2 ASN A 65 -79.817 8.915 -6.508 1.00 40.97 N ATOM 649 HD22 ASN A 65 -78.874 9.207 -6.836 1.00 0.00 H ATOM 650 HD21 ASN A 65 -80.110 7.921 -6.588 1.00 0.00 H ATOM 651 H ASN A 65 -79.323 10.480 -3.590 1.00 0.00 H ATOM 652 N ASN A 66 -78.143 13.517 -4.487 1.00 40.06 N ATOM 653 CA ASN A 66 -77.842 14.950 -4.498 1.00 39.85 C ATOM 654 C ASN A 66 -76.641 15.357 -3.633 1.00 39.25 C ATOM 655 O ASN A 66 -76.572 16.498 -3.169 1.00 39.06 O ATOM 656 CB ASN A 66 -79.083 15.726 -4.044 1.00 40.11 C ATOM 657 CG ASN A 66 -80.350 15.260 -4.738 1.00 40.38 C ATOM 658 OD1 ASN A 66 -80.360 15.028 -5.947 1.00 40.66 O ATOM 659 ND2 ASN A 66 -81.426 15.118 -3.975 1.00 40.52 N ATOM 660 HD22 ASN A 66 -81.373 15.325 -2.957 1.00 0.00 H ATOM 661 HD21 ASN A 66 -82.323 14.799 -4.395 1.00 0.00 H ATOM 662 H ASN A 66 -78.322 13.049 -3.576 1.00 0.00 H ATOM 663 N TRP A 67 -75.695 14.440 -3.426 1.00 38.84 N ATOM 664 CA TRP A 67 -74.510 14.721 -2.607 1.00 38.50 C ATOM 665 C TRP A 67 -73.243 14.096 -3.195 1.00 38.63 C ATOM 666 O TRP A 67 -73.109 12.871 -3.231 1.00 38.55 O ATOM 667 CB TRP A 67 -74.711 14.211 -1.176 1.00 38.26 C ATOM 668 CG TRP A 67 -75.775 14.939 -0.403 1.00 37.96 C ATOM 669 CD1 TRP A 67 -77.100 14.622 -0.337 1.00 37.86 C ATOM 670 CD2 TRP A 67 -75.599 16.099 0.421 1.00 37.78 C ATOM 671 NE1 TRP A 67 -77.762 15.514 0.471 1.00 37.80 N ATOM 672 CE2 TRP A 67 -76.864 16.430 0.952 1.00 37.75 C ATOM 673 CE3 TRP A 67 -74.497 16.891 0.762 1.00 37.62 C ATOM 674 CZ2 TRP A 67 -77.058 17.521 1.803 1.00 37.66 C ATOM 675 CZ3 TRP A 67 -74.690 17.976 1.611 1.00 37.59 C ATOM 676 CH2 TRP A 67 -75.962 18.280 2.120 1.00 37.58 C ATOM 677 HE1 TRP A 67 -78.780 15.497 0.683 1.00 0.00 H ATOM 678 H TRP A 67 -75.800 13.499 -3.857 1.00 0.00 H ATOM 679 N ASP A 68 -72.321 14.945 -3.651 1.00 38.91 N ATOM 680 CA ASP A 68 -70.997 14.508 -4.098 1.00 39.11 C ATOM 681 C ASP A 68 -69.990 14.718 -2.975 1.00 39.10 C ATOM 682 O ASP A 68 -70.038 15.728 -2.272 1.00 39.33 O ATOM 683 CB ASP A 68 -70.541 15.289 -5.339 1.00 39.27 C ATOM 684 CG ASP A 68 -71.115 14.735 -6.635 1.00 39.48 C ATOM 685 OD1 ASP A 68 -71.556 13.566 -6.659 1.00 39.67 O ATOM 686 OD2 ASP A 68 -71.108 15.470 -7.645 1.00 39.65 O ATOM 687 H ASP A 68 -72.552 15.958 -3.691 1.00 0.00 H ATOM 688 N VAL A 69 -69.079 13.763 -2.819 1.00 38.97 N ATOM 689 CA VAL A 69 -68.057 13.822 -1.779 1.00 38.98 C ATOM 690 C VAL A 69 -66.712 13.386 -2.346 1.00 38.95 C ATOM 691 O VAL A 69 -66.596 12.300 -2.915 1.00 38.97 O ATOM 692 CB VAL A 69 -68.437 12.924 -0.580 1.00 39.01 C ATOM 693 CG1 VAL A 69 -67.241 12.672 0.330 1.00 38.99 C ATOM 694 CG2 VAL A 69 -69.583 13.550 0.202 1.00 39.04 C ATOM 695 H VAL A 69 -69.095 12.945 -3.461 1.00 0.00 H ATOM 696 N CYS A 70 -65.703 14.239 -2.189 1.00 39.09 N ATOM 697 CA CYS A 70 -64.334 13.889 -2.553 1.00 39.27 C ATOM 698 C CYS A 70 -63.685 13.139 -1.397 1.00 38.48 C ATOM 699 O CYS A 70 -63.143 13.750 -0.474 1.00 38.50 O ATOM 700 CB CYS A 70 -63.521 15.137 -2.908 1.00 40.05 C ATOM 701 SG CYS A 70 -63.896 15.812 -4.542 1.00 41.22 S ATOM 702 H CYS A 70 -65.896 15.182 -1.796 1.00 0.00 H ATOM 703 N ALA A 71 -63.763 11.812 -1.449 1.00 37.67 N ATOM 704 CA ALA A 71 -63.163 10.960 -0.427 1.00 37.04 C ATOM 705 C ALA A 71 -61.644 11.073 -0.477 1.00 36.52 C ATOM 706 O ALA A 71 -61.057 11.106 -1.557 1.00 36.30 O ATOM 707 CB ALA A 71 -63.590 9.514 -0.624 1.00 37.01 C ATOM 708 H ALA A 71 -64.267 11.368 -2.243 1.00 0.00 H ATOM 709 N ASP A 72 -61.023 11.146 0.697 1.00 35.98 N ATOM 710 CA ASP A 72 -59.571 11.232 0.817 1.00 35.61 C ATOM 711 C ASP A 72 -59.123 10.203 1.849 1.00 35.18 C ATOM 712 O ASP A 72 -59.349 10.379 3.048 1.00 35.24 O ATOM 713 CB ASP A 72 -59.159 12.649 1.236 1.00 35.76 C ATOM 714 CG ASP A 72 -57.656 12.877 1.165 1.00 35.89 C ATOM 715 OD1 ASP A 72 -56.964 12.158 0.413 1.00 36.16 O ATOM 716 OD2 ASP A 72 -57.166 13.791 1.859 1.00 36.01 O ATOM 717 H ASP A 72 -61.596 11.142 1.565 1.00 0.00 H ATOM 718 N MET A 73 -58.500 9.124 1.378 1.00 34.56 N ATOM 719 CA MET A 73 -58.197 7.972 2.226 1.00 34.20 C ATOM 720 C MET A 73 -56.713 7.627 2.247 1.00 33.68 C ATOM 721 O MET A 73 -55.982 7.920 1.302 1.00 33.46 O ATOM 722 CB MET A 73 -58.997 6.758 1.753 1.00 34.36 C ATOM 723 CG MET A 73 -60.502 6.947 1.839 1.00 34.57 C ATOM 724 SD MET A 73 -61.418 5.488 1.313 1.00 34.79 S ATOM 725 CE MET A 73 -63.102 6.028 1.590 1.00 34.76 C ATOM 726 H MET A 73 -58.221 9.100 0.377 1.00 0.00 H ATOM 727 N VAL A 74 -56.290 7.001 3.343 1.00 33.26 N ATOM 728 CA VAL A 74 -54.915 6.539 3.527 1.00 32.87 C ATOM 729 C VAL A 74 -54.954 5.042 3.815 1.00 32.49 C ATOM 730 O VAL A 74 -55.903 4.553 4.430 1.00 32.31 O ATOM 731 CB VAL A 74 -54.229 7.268 4.703 1.00 32.87 C ATOM 732 CG1 VAL A 74 -52.779 6.818 4.852 1.00 32.86 C ATOM 733 CG2 VAL A 74 -54.302 8.777 4.516 1.00 32.93 C ATOM 734 H VAL A 74 -56.973 6.832 4.108 1.00 0.00 H ATOM 735 N GLY A 75 -53.928 4.318 3.373 1.00 32.14 N ATOM 736 CA GLY A 75 -53.872 2.872 3.572 1.00 31.96 C ATOM 737 C GLY A 75 -52.472 2.310 3.727 1.00 31.82 C ATOM 738 O GLY A 75 -51.505 2.866 3.203 1.00 31.73 O ATOM 739 H GLY A 75 -53.148 4.793 2.875 1.00 0.00 H ATOM 740 N THR A 76 -52.380 1.201 4.457 1.00 31.62 N ATOM 741 CA THR A 76 -51.134 0.459 4.630 1.00 31.55 C ATOM 742 C THR A 76 -51.309 -0.943 4.057 1.00 31.49 C ATOM 743 O THR A 76 -52.413 -1.489 4.073 1.00 31.38 O ATOM 744 CB THR A 76 -50.748 0.346 6.117 1.00 31.52 C ATOM 745 OG1 THR A 76 -51.796 -0.312 6.840 1.00 31.49 O ATOM 746 CG2 THR A 76 -50.510 1.724 6.717 1.00 31.53 C ATOM 747 HG1 THR A 76 -51.934 -1.218 6.467 1.00 0.00 H ATOM 748 H THR A 76 -53.237 0.846 4.927 1.00 0.00 H ATOM 749 N PHE A 77 -50.218 -1.518 3.556 1.00 31.46 N ATOM 750 CA PHE A 77 -50.249 -2.840 2.931 1.00 31.48 C ATOM 751 C PHE A 77 -49.353 -3.822 3.680 1.00 31.67 C ATOM 752 O PHE A 77 -48.157 -3.578 3.842 1.00 31.64 O ATOM 753 CB PHE A 77 -49.804 -2.743 1.471 1.00 31.38 C ATOM 754 CG PHE A 77 -50.670 -1.844 0.635 1.00 31.25 C ATOM 755 CD1 PHE A 77 -51.800 -2.338 0.001 1.00 31.17 C ATOM 756 CD2 PHE A 77 -50.357 -0.500 0.485 1.00 31.21 C ATOM 757 CE1 PHE A 77 -52.600 -1.510 -0.768 1.00 31.15 C ATOM 758 CE2 PHE A 77 -51.152 0.334 -0.282 1.00 31.19 C ATOM 759 CZ PHE A 77 -52.276 -0.171 -0.910 1.00 31.15 C ATOM 760 H PHE A 77 -49.312 -1.010 3.611 1.00 0.00 H ATOM 761 N THR A 78 -49.941 -4.925 4.138 1.00 31.97 N ATOM 762 CA THR A 78 -49.196 -5.985 4.814 1.00 32.20 C ATOM 763 C THR A 78 -48.729 -7.016 3.789 1.00 32.49 C ATOM 764 O THR A 78 -49.489 -7.400 2.898 1.00 32.34 O ATOM 765 CB THR A 78 -50.061 -6.691 5.878 1.00 32.17 C ATOM 766 OG1 THR A 78 -50.640 -5.716 6.753 1.00 32.14 O ATOM 767 CG2 THR A 78 -49.228 -7.674 6.696 1.00 32.16 C ATOM 768 HG1 THR A 78 -51.206 -5.097 6.227 1.00 0.00 H ATOM 769 H THR A 78 -50.967 -5.036 4.010 1.00 0.00 H ATOM 770 N ASP A 79 -47.483 -7.462 3.925 1.00 32.90 N ATOM 771 CA ASP A 79 -46.901 -8.434 2.998 1.00 33.17 C ATOM 772 C ASP A 79 -47.469 -9.832 3.225 1.00 33.26 C ATOM 773 O ASP A 79 -47.915 -10.161 4.326 1.00 33.34 O ATOM 774 CB ASP A 79 -45.375 -8.481 3.147 1.00 33.30 C ATOM 775 CG ASP A 79 -44.704 -7.167 2.780 1.00 33.47 C ATOM 776 OD1 ASP A 79 -45.363 -6.297 2.174 1.00 33.57 O ATOM 777 OD2 ASP A 79 -43.507 -7.005 3.099 1.00 33.75 O ATOM 778 H ASP A 79 -46.905 -7.109 4.714 1.00 0.00 H ATOM 779 N THR A 80 -47.450 -10.642 2.169 1.00 33.46 N ATOM 780 CA THR A 80 -47.845 -12.048 2.240 1.00 33.59 C ATOM 781 C THR A 80 -46.748 -12.902 1.607 1.00 33.89 C ATOM 782 O THR A 80 -45.737 -12.372 1.140 1.00 34.04 O ATOM 783 CB THR A 80 -49.183 -12.296 1.514 1.00 33.52 C ATOM 784 OG1 THR A 80 -49.027 -12.054 0.110 1.00 33.41 O ATOM 785 CG2 THR A 80 -50.273 -11.387 2.067 1.00 33.48 C ATOM 786 HG1 THR A 80 -48.746 -11.116 -0.033 1.00 0.00 H ATOM 787 H THR A 80 -47.141 -10.258 1.253 1.00 0.00 H ATOM 788 N GLU A 81 -46.942 -14.220 1.600 1.00 34.24 N ATOM 789 CA GLU A 81 -45.994 -15.143 0.963 1.00 34.49 C ATOM 790 C GLU A 81 -45.783 -14.829 -0.525 1.00 34.20 C ATOM 791 O GLU A 81 -44.689 -15.030 -1.054 1.00 34.31 O ATOM 792 CB GLU A 81 -46.443 -16.600 1.144 1.00 34.97 C ATOM 793 CG GLU A 81 -47.745 -16.967 0.443 1.00 35.39 C ATOM 794 CD GLU A 81 -48.232 -18.361 0.799 1.00 35.81 C ATOM 795 OE1 GLU A 81 -49.463 -18.553 0.892 1.00 36.25 O ATOM 796 OE2 GLU A 81 -47.389 -19.264 0.987 1.00 36.10 O ATOM 797 H GLU A 81 -47.791 -14.607 2.060 1.00 0.00 H ATOM 798 N ASP A 82 -46.833 -14.345 -1.186 1.00 33.79 N ATOM 799 CA ASP A 82 -46.744 -13.879 -2.569 1.00 33.38 C ATOM 800 C ASP A 82 -46.383 -12.389 -2.569 1.00 33.13 C ATOM 801 O ASP A 82 -47.019 -11.603 -1.865 1.00 33.15 O ATOM 802 CB ASP A 82 -48.078 -14.105 -3.288 1.00 33.30 C ATOM 803 CG ASP A 82 -47.976 -13.915 -4.793 1.00 33.31 C ATOM 804 OD1 ASP A 82 -47.666 -12.792 -5.241 1.00 33.15 O ATOM 805 OD2 ASP A 82 -48.225 -14.891 -5.531 1.00 33.36 O ATOM 806 H ASP A 82 -47.751 -14.297 -0.700 1.00 0.00 H ATOM 807 N PRO A 83 -45.366 -11.993 -3.361 1.00 32.70 N ATOM 808 CA PRO A 83 -44.919 -10.595 -3.363 1.00 32.44 C ATOM 809 C PRO A 83 -45.888 -9.602 -4.020 1.00 32.12 C ATOM 810 O PRO A 83 -45.777 -8.401 -3.776 1.00 32.00 O ATOM 811 CB PRO A 83 -43.602 -10.649 -4.145 1.00 32.47 C ATOM 812 CG PRO A 83 -43.744 -11.828 -5.039 1.00 32.56 C ATOM 813 CD PRO A 83 -44.557 -12.828 -4.270 1.00 32.62 C ATOM 814 N ALA A 84 -46.815 -10.093 -4.842 1.00 31.77 N ATOM 815 CA ALA A 84 -47.787 -9.232 -5.524 1.00 31.54 C ATOM 816 C ALA A 84 -49.132 -9.138 -4.797 1.00 31.23 C ATOM 817 O ALA A 84 -49.975 -8.320 -5.166 1.00 31.23 O ATOM 818 CB ALA A 84 -48.000 -9.714 -6.951 1.00 31.54 C ATOM 819 H ALA A 84 -46.850 -11.120 -5.005 1.00 0.00 H ATOM 820 N LYS A 85 -49.330 -9.971 -3.775 1.00 30.95 N ATOM 821 CA LYS A 85 -50.577 -9.988 -3.011 1.00 30.72 C ATOM 822 C LYS A 85 -50.377 -9.335 -1.646 1.00 30.56 C ATOM 823 O LYS A 85 -49.417 -9.648 -0.939 1.00 30.60 O ATOM 824 CB LYS A 85 -51.069 -11.426 -2.840 1.00 30.66 C ATOM 825 CG LYS A 85 -51.311 -12.149 -4.155 1.00 30.63 C ATOM 826 CD LYS A 85 -51.854 -13.552 -3.939 1.00 30.57 C ATOM 827 CE LYS A 85 -52.127 -14.244 -5.265 1.00 30.54 C ATOM 828 NZ LYS A 85 -52.685 -15.613 -5.082 1.00 30.54 N ATOM 829 HZ1 LYS A 85 -52.007 -16.194 -4.548 1.00 0.00 H ATOM 830 HZ2 LYS A 85 -53.581 -15.554 -4.558 1.00 0.00 H ATOM 831 HZ3 LYS A 85 -52.854 -16.044 -6.013 1.00 0.00 H ATOM 832 H LYS A 85 -48.571 -10.632 -3.512 1.00 0.00 H ATOM 833 N PHE A 86 -51.284 -8.428 -1.284 1.00 30.35 N ATOM 834 CA PHE A 86 -51.201 -7.690 -0.022 1.00 30.14 C ATOM 835 C PHE A 86 -52.548 -7.650 0.692 1.00 30.08 C ATOM 836 O PHE A 86 -53.595 -7.859 0.076 1.00 30.01 O ATOM 837 CB PHE A 86 -50.736 -6.253 -0.274 1.00 29.99 C ATOM 838 CG PHE A 86 -49.389 -6.152 -0.931 1.00 29.94 C ATOM 839 CD1 PHE A 86 -49.278 -6.132 -2.315 1.00 29.89 C ATOM 840 CD2 PHE A 86 -48.233 -6.067 -0.167 1.00 29.95 C ATOM 841 CE1 PHE A 86 -48.038 -6.035 -2.925 1.00 29.86 C ATOM 842 CE2 PHE A 86 -46.990 -5.970 -0.772 1.00 29.93 C ATOM 843 CZ PHE A 86 -46.893 -5.953 -2.152 1.00 29.93 C ATOM 844 H PHE A 86 -52.082 -8.237 -1.923 1.00 0.00 H ATOM 845 N LYS A 87 -52.505 -7.379 1.994 1.00 30.11 N ATOM 846 CA LYS A 87 -53.705 -7.114 2.786 1.00 30.22 C ATOM 847 C LYS A 87 -53.775 -5.619 3.083 1.00 29.94 C ATOM 848 O LYS A 87 -53.031 -5.112 3.924 1.00 29.98 O ATOM 849 CB LYS A 87 -53.681 -7.904 4.095 1.00 30.58 C ATOM 850 CG LYS A 87 -53.825 -9.407 3.925 1.00 31.00 C ATOM 851 CD LYS A 87 -53.854 -10.105 5.275 1.00 31.39 C ATOM 852 CE LYS A 87 -54.088 -11.600 5.134 1.00 31.66 C ATOM 853 NZ LYS A 87 -54.137 -12.283 6.458 1.00 31.83 N ATOM 854 HZ1 LYS A 87 -53.234 -12.140 6.954 1.00 0.00 H ATOM 855 HZ2 LYS A 87 -54.913 -11.884 7.024 1.00 0.00 H ATOM 856 HZ3 LYS A 87 -54.298 -13.301 6.316 1.00 0.00 H ATOM 857 H LYS A 87 -51.580 -7.355 2.468 1.00 0.00 H ATOM 858 N MET A 88 -54.667 -4.920 2.385 1.00 29.68 N ATOM 859 CA MET A 88 -54.791 -3.470 2.517 1.00 29.55 C ATOM 860 C MET A 88 -55.714 -3.099 3.673 1.00 29.60 C ATOM 861 O MET A 88 -56.884 -3.473 3.675 1.00 29.55 O ATOM 862 CB MET A 88 -55.334 -2.868 1.217 1.00 29.36 C ATOM 863 CG MET A 88 -55.453 -1.350 1.227 1.00 29.22 C ATOM 864 SD MET A 88 -55.996 -0.667 -0.351 1.00 29.04 S ATOM 865 CE MET A 88 -57.660 -1.323 -0.467 1.00 29.02 C ATOM 866 H MET A 88 -55.295 -5.421 1.725 1.00 0.00 H ATOM 867 N LYS A 89 -55.176 -2.370 4.649 1.00 29.67 N ATOM 868 CA LYS A 89 -55.978 -1.747 5.701 1.00 29.81 C ATOM 869 C LYS A 89 -56.077 -0.258 5.396 1.00 29.70 C ATOM 870 O LYS A 89 -55.051 0.410 5.265 1.00 29.66 O ATOM 871 CB LYS A 89 -55.325 -1.938 7.069 1.00 30.05 C ATOM 872 CG LYS A 89 -55.169 -3.385 7.505 1.00 30.34 C ATOM 873 CD LYS A 89 -54.603 -3.462 8.914 1.00 30.58 C ATOM 874 CE LYS A 89 -54.230 -4.883 9.300 1.00 30.81 C ATOM 875 NZ LYS A 89 -53.628 -4.942 10.661 1.00 30.95 N ATOM 876 HZ1 LYS A 89 -52.767 -4.359 10.684 1.00 0.00 H ATOM 877 HZ2 LYS A 89 -54.311 -4.581 11.357 1.00 0.00 H ATOM 878 HZ3 LYS A 89 -53.386 -5.927 10.889 1.00 0.00 H ATOM 879 H LYS A 89 -54.144 -2.239 4.664 1.00 0.00 H ATOM 880 N TYR A 90 -57.300 0.261 5.288 1.00 29.61 N ATOM 881 CA TYR A 90 -57.511 1.656 4.890 1.00 29.59 C ATOM 882 C TYR A 90 -58.471 2.410 5.812 1.00 29.81 C ATOM 883 O TYR A 90 -59.234 1.808 6.568 1.00 29.70 O ATOM 884 CB TYR A 90 -58.012 1.727 3.442 1.00 29.40 C ATOM 885 CG TYR A 90 -59.369 1.096 3.215 1.00 29.21 C ATOM 886 CD1 TYR A 90 -59.488 -0.259 2.915 1.00 29.17 C ATOM 887 CD2 TYR A 90 -60.534 1.855 3.291 1.00 29.15 C ATOM 888 CE1 TYR A 90 -60.728 -0.840 2.704 1.00 29.14 C ATOM 889 CE2 TYR A 90 -61.779 1.283 3.083 1.00 29.12 C ATOM 890 CZ TYR A 90 -61.871 -0.063 2.789 1.00 29.13 C ATOM 891 OH TYR A 90 -63.105 -0.633 2.580 1.00 29.14 O ATOM 892 HH TYR A 90 -62.993 -1.597 2.382 1.00 0.00 H ATOM 893 H TYR A 90 -58.125 -0.339 5.491 1.00 0.00 H ATOM 894 N TRP A 91 -58.412 3.737 5.730 1.00 30.15 N ATOM 895 CA TRP A 91 -59.286 4.620 6.502 1.00 30.42 C ATOM 896 C TRP A 91 -59.389 5.987 5.826 1.00 30.59 C ATOM 897 O TRP A 91 -58.557 6.332 4.985 1.00 30.54 O ATOM 898 CB TRP A 91 -58.761 4.779 7.932 1.00 30.54 C ATOM 899 CG TRP A 91 -57.390 5.392 8.012 1.00 30.64 C ATOM 900 CD1 TRP A 91 -57.091 6.719 8.125 1.00 30.73 C ATOM 901 CD2 TRP A 91 -56.136 4.699 7.988 1.00 30.77 C ATOM 902 NE1 TRP A 91 -55.729 6.897 8.170 1.00 30.83 N ATOM 903 CE2 TRP A 91 -55.119 5.673 8.088 1.00 30.84 C ATOM 904 CE3 TRP A 91 -55.773 3.350 7.892 1.00 30.81 C ATOM 905 CZ2 TRP A 91 -53.762 5.341 8.096 1.00 30.88 C ATOM 906 CZ3 TRP A 91 -54.422 3.020 7.898 1.00 30.83 C ATOM 907 CH2 TRP A 91 -53.434 4.014 8.000 1.00 30.87 C ATOM 908 HE1 TRP A 91 -55.241 7.812 8.253 1.00 0.00 H ATOM 909 H TRP A 91 -57.714 4.165 5.089 1.00 0.00 H ATOM 910 N GLY A 92 -60.406 6.758 6.205 1.00 30.78 N ATOM 911 CA GLY A 92 -60.637 8.087 5.634 1.00 31.00 C ATOM 912 C GLY A 92 -60.186 9.209 6.551 1.00 31.20 C ATOM 913 O GLY A 92 -60.256 9.082 7.774 1.00 31.21 O ATOM 914 H GLY A 92 -61.060 6.404 6.932 1.00 0.00 H ATOM 915 N VAL A 93 -59.723 10.307 5.954 1.00 31.56 N ATOM 916 CA VAL A 93 -59.305 11.496 6.709 1.00 31.89 C ATOM 917 C VAL A 93 -60.139 12.747 6.399 1.00 32.15 C ATOM 918 O VAL A 93 -59.930 13.793 7.016 1.00 32.26 O ATOM 919 CB VAL A 93 -57.805 11.814 6.485 1.00 31.92 C ATOM 920 CG1 VAL A 93 -56.939 10.685 7.025 1.00 31.90 C ATOM 921 CG2 VAL A 93 -57.499 12.068 5.012 1.00 31.93 C ATOM 922 H VAL A 93 -59.655 10.323 4.916 1.00 0.00 H ATOM 923 N ALA A 94 -61.081 12.639 5.461 1.00 32.34 N ATOM 924 CA ALA A 94 -61.891 13.780 5.032 1.00 32.54 C ATOM 925 C ALA A 94 -63.371 13.576 5.346 1.00 32.67 C ATOM 926 O ALA A 94 -63.965 14.356 6.092 1.00 32.87 O ATOM 927 CB ALA A 94 -61.700 14.026 3.542 1.00 32.60 C ATOM 928 H ALA A 94 -61.246 11.712 5.019 1.00 0.00 H ATOM 929 N SER A 95 -63.957 12.527 4.770 1.00 32.65 N ATOM 930 CA SER A 95 -65.391 12.264 4.897 1.00 32.68 C ATOM 931 C SER A 95 -65.707 10.902 5.522 1.00 32.62 C ATOM 932 O SER A 95 -66.526 10.815 6.439 1.00 32.71 O ATOM 933 CB SER A 95 -66.059 12.367 3.525 1.00 32.77 C ATOM 934 OG SER A 95 -67.468 12.396 3.648 1.00 32.96 O ATOM 935 HG SER A 95 -67.875 12.463 2.748 1.00 0.00 H ATOM 936 H SER A 95 -63.375 11.872 4.210 1.00 0.00 H ATOM 937 N PHE A 96 -65.070 9.846 5.017 1.00 32.43 N ATOM 938 CA PHE A 96 -65.310 8.484 5.499 1.00 32.34 C ATOM 939 C PHE A 96 -64.836 8.323 6.944 1.00 32.44 C ATOM 940 O PHE A 96 -63.678 8.599 7.262 1.00 32.44 O ATOM 941 CB PHE A 96 -64.612 7.470 4.584 1.00 32.28 C ATOM 942 CG PHE A 96 -64.957 6.033 4.879 1.00 32.13 C ATOM 943 CD1 PHE A 96 -66.275 5.600 4.846 1.00 32.02 C ATOM 944 CD2 PHE A 96 -63.959 5.107 5.162 1.00 32.08 C ATOM 945 CE1 PHE A 96 -66.596 4.278 5.108 1.00 32.03 C ATOM 946 CE2 PHE A 96 -64.274 3.783 5.422 1.00 32.05 C ATOM 947 CZ PHE A 96 -65.594 3.367 5.396 1.00 32.00 C ATOM 948 H PHE A 96 -64.379 9.994 4.254 1.00 0.00 H ATOM 949 N LEU A 97 -65.743 7.874 7.809 1.00 32.58 N ATOM 950 CA LEU A 97 -65.495 7.811 9.251 1.00 32.74 C ATOM 951 C LEU A 97 -64.910 6.476 9.709 1.00 32.75 C ATOM 952 O LEU A 97 -64.068 6.441 10.606 1.00 32.80 O ATOM 953 CB LEU A 97 -66.796 8.074 10.014 1.00 32.75 C ATOM 954 CG LEU A 97 -67.478 9.416 9.736 1.00 32.85 C ATOM 955 CD1 LEU A 97 -68.849 9.471 10.396 1.00 32.93 C ATOM 956 CD2 LEU A 97 -66.601 10.568 10.205 1.00 32.84 C ATOM 957 H LEU A 97 -66.664 7.555 7.446 1.00 0.00 H ATOM 958 N GLN A 98 -65.360 5.385 9.094 1.00 32.99 N ATOM 959 CA GLN A 98 -64.987 4.039 9.531 1.00 33.29 C ATOM 960 C GLN A 98 -63.672 3.597 8.882 1.00 33.24 C ATOM 961 O GLN A 98 -63.045 4.362 8.146 1.00 33.14 O ATOM 962 CB GLN A 98 -66.116 3.050 9.199 1.00 33.59 C ATOM 963 CG GLN A 98 -66.415 2.043 10.300 1.00 33.94 C ATOM 964 CD GLN A 98 -67.694 1.264 10.058 1.00 34.19 C ATOM 965 OE1 GLN A 98 -68.591 1.247 10.901 1.00 34.37 O ATOM 966 NE2 GLN A 98 -67.784 0.614 8.901 1.00 34.29 N ATOM 967 HE22 GLN A 98 -67.001 0.657 8.218 1.00 0.00 H ATOM 968 HE21 GLN A 98 -68.638 0.063 8.679 1.00 0.00 H ATOM 969 H GLN A 98 -65.996 5.492 8.278 1.00 0.00 H ATOM 970 N LYS A 99 -63.250 2.371 9.184 1.00 33.20 N ATOM 971 CA LYS A 99 -62.105 1.744 8.524 1.00 33.11 C ATOM 972 C LYS A 99 -62.513 0.382 7.969 1.00 32.78 C ATOM 973 O LYS A 99 -63.519 -0.192 8.388 1.00 32.80 O ATOM 974 CB LYS A 99 -60.924 1.599 9.492 1.00 33.29 C ATOM 975 CG LYS A 99 -61.209 0.777 10.742 1.00 33.52 C ATOM 976 CD LYS A 99 -59.976 0.669 11.625 1.00 33.71 C ATOM 977 CE LYS A 99 -60.270 -0.109 12.898 1.00 33.96 C ATOM 978 NZ LYS A 99 -59.060 -0.275 13.750 1.00 34.16 N ATOM 979 HZ1 LYS A 99 -58.331 -0.791 13.217 1.00 0.00 H ATOM 980 HZ2 LYS A 99 -58.697 0.661 14.020 1.00 0.00 H ATOM 981 HZ3 LYS A 99 -59.311 -0.811 14.605 1.00 0.00 H ATOM 982 H LYS A 99 -63.755 1.837 9.920 1.00 0.00 H ATOM 983 N GLY A 100 -61.730 -0.122 7.020 1.00 32.43 N ATOM 984 CA GLY A 100 -62.003 -1.416 6.394 1.00 32.09 C ATOM 985 C GLY A 100 -60.738 -2.091 5.903 1.00 31.81 C ATOM 986 O GLY A 100 -59.638 -1.559 6.065 1.00 31.77 O ATOM 987 H GLY A 100 -60.897 0.420 6.713 1.00 0.00 H ATOM 988 N ASN A 101 -60.897 -3.268 5.303 1.00 31.42 N ATOM 989 CA ASN A 101 -59.762 -4.011 4.764 1.00 31.27 C ATOM 990 C ASN A 101 -60.135 -4.906 3.582 1.00 30.93 C ATOM 991 O ASN A 101 -61.174 -5.568 3.595 1.00 30.94 O ATOM 992 CB ASN A 101 -59.083 -4.834 5.867 1.00 31.40 C ATOM 993 CG ASN A 101 -60.059 -5.698 6.643 1.00 31.56 C ATOM 994 OD1 ASN A 101 -60.398 -5.396 7.787 1.00 31.83 O ATOM 995 ND2 ASN A 101 -60.520 -6.778 6.023 1.00 31.68 N ATOM 996 HD22 ASN A 101 -60.207 -6.996 5.055 1.00 0.00 H ATOM 997 HD21 ASN A 101 -61.194 -7.406 6.505 1.00 0.00 H ATOM 998 H ASN A 101 -61.853 -3.668 5.216 1.00 0.00 H ATOM 999 N ASP A 102 -59.272 -4.908 2.567 1.00 30.40 N ATOM 1000 CA ASP A 102 -59.445 -5.732 1.372 1.00 30.03 C ATOM 1001 C ASP A 102 -58.113 -6.335 0.954 1.00 29.70 C ATOM 1002 O ASP A 102 -57.050 -5.858 1.357 1.00 29.63 O ATOM 1003 CB ASP A 102 -59.970 -4.886 0.208 1.00 30.03 C ATOM 1004 CG ASP A 102 -61.370 -4.366 0.441 1.00 29.97 C ATOM 1005 OD1 ASP A 102 -62.247 -5.159 0.842 1.00 30.03 O ATOM 1006 OD2 ASP A 102 -61.602 -3.163 0.198 1.00 29.92 O ATOM 1007 H ASP A 102 -58.435 -4.294 2.628 1.00 0.00 H ATOM 1008 N ASP A 103 -58.179 -7.384 0.140 1.00 29.30 N ATOM 1009 CA ASP A 103 -56.998 -7.892 -0.548 1.00 29.13 C ATOM 1010 C ASP A 103 -56.621 -6.908 -1.646 1.00 28.73 C ATOM 1011 O ASP A 103 -57.497 -6.304 -2.266 1.00 28.60 O ATOM 1012 CB ASP A 103 -57.267 -9.268 -1.165 1.00 29.26 C ATOM 1013 CG ASP A 103 -57.450 -10.357 -0.124 1.00 29.46 C ATOM 1014 OD1 ASP A 103 -57.025 -10.175 1.037 1.00 29.52 O ATOM 1015 OD2 ASP A 103 -58.018 -11.410 -0.478 1.00 29.70 O ATOM 1016 H ASP A 103 -59.095 -7.854 -0.010 1.00 0.00 H ATOM 1017 N HIS A 104 -55.322 -6.745 -1.877 1.00 28.36 N ATOM 1018 CA HIS A 104 -54.824 -5.854 -2.921 1.00 28.08 C ATOM 1019 C HIS A 104 -53.811 -6.595 -3.788 1.00 27.84 C ATOM 1020 O HIS A 104 -52.643 -6.730 -3.420 1.00 27.88 O ATOM 1021 CB HIS A 104 -54.198 -4.602 -2.304 1.00 28.04 C ATOM 1022 CG HIS A 104 -53.867 -3.538 -3.303 1.00 27.98 C ATOM 1023 ND1 HIS A 104 -54.743 -2.524 -3.627 1.00 27.98 N ATOM 1024 CD2 HIS A 104 -52.757 -3.328 -4.048 1.00 27.93 C ATOM 1025 CE1 HIS A 104 -54.186 -1.735 -4.528 1.00 27.92 C ATOM 1026 NE2 HIS A 104 -52.981 -2.202 -4.802 1.00 27.93 N ATOM 1027 H HIS A 104 -54.638 -7.269 -1.295 1.00 0.00 H ATOM 1028 N TRP A 105 -54.280 -7.085 -4.933 1.00 27.53 N ATOM 1029 CA TRP A 105 -53.459 -7.868 -5.852 1.00 27.35 C ATOM 1030 C TRP A 105 -53.045 -7.015 -7.046 1.00 27.32 C ATOM 1031 O TRP A 105 -53.900 -6.456 -7.735 1.00 27.09 O ATOM 1032 CB TRP A 105 -54.244 -9.082 -6.359 1.00 27.20 C ATOM 1033 CG TRP A 105 -54.514 -10.152 -5.331 1.00 27.10 C ATOM 1034 CD1 TRP A 105 -54.389 -10.052 -3.972 1.00 27.05 C ATOM 1035 CD2 TRP A 105 -54.989 -11.479 -5.590 1.00 27.02 C ATOM 1036 NE1 TRP A 105 -54.739 -11.238 -3.375 1.00 27.00 N ATOM 1037 CE2 TRP A 105 -55.114 -12.130 -4.344 1.00 26.99 C ATOM 1038 CE3 TRP A 105 -55.315 -12.183 -6.757 1.00 26.99 C ATOM 1039 CZ2 TRP A 105 -55.551 -13.453 -4.231 1.00 26.97 C ATOM 1040 CZ3 TRP A 105 -55.749 -13.498 -6.643 1.00 27.01 C ATOM 1041 CH2 TRP A 105 -55.863 -14.118 -5.388 1.00 27.00 C ATOM 1042 HE1 TRP A 105 -54.722 -11.428 -2.353 1.00 0.00 H ATOM 1043 H TRP A 105 -55.273 -6.903 -5.184 1.00 0.00 H ATOM 1044 N ILE A 106 -51.739 -6.911 -7.284 1.00 27.40 N ATOM 1045 CA ILE A 106 -51.230 -6.310 -8.513 1.00 27.48 C ATOM 1046 C ILE A 106 -51.100 -7.433 -9.538 1.00 27.51 C ATOM 1047 O ILE A 106 -50.155 -8.222 -9.490 1.00 27.45 O ATOM 1048 CB ILE A 106 -49.869 -5.605 -8.311 1.00 27.56 C ATOM 1049 CG1 ILE A 106 -50.012 -4.421 -7.343 1.00 27.65 C ATOM 1050 CG2 ILE A 106 -49.312 -5.128 -9.649 1.00 27.58 C ATOM 1051 CD1 ILE A 106 -49.895 -4.791 -5.880 1.00 27.77 C ATOM 1052 H ILE A 106 -51.065 -7.267 -6.577 1.00 0.00 H ATOM 1053 N VAL A 107 -52.062 -7.500 -10.455 1.00 27.58 N ATOM 1054 CA VAL A 107 -52.142 -8.595 -11.420 1.00 27.67 C ATOM 1055 C VAL A 107 -51.003 -8.512 -12.435 1.00 27.69 C ATOM 1056 O VAL A 107 -50.336 -9.509 -12.705 1.00 27.87 O ATOM 1057 CB VAL A 107 -53.505 -8.610 -12.149 1.00 27.75 C ATOM 1058 CG1 VAL A 107 -53.533 -9.680 -13.234 1.00 27.80 C ATOM 1059 CG2 VAL A 107 -54.636 -8.834 -11.152 1.00 27.75 C ATOM 1060 H VAL A 107 -52.780 -6.749 -10.486 1.00 0.00 H ATOM 1061 N ASP A 108 -50.787 -7.324 -12.993 1.00 27.67 N ATOM 1062 CA ASP A 108 -49.683 -7.101 -13.924 1.00 27.68 C ATOM 1063 C ASP A 108 -49.373 -5.612 -14.055 1.00 27.72 C ATOM 1064 O ASP A 108 -50.258 -4.768 -13.892 1.00 27.76 O ATOM 1065 CB ASP A 108 -50.016 -7.692 -15.302 1.00 27.68 C ATOM 1066 CG ASP A 108 -48.775 -8.024 -16.123 1.00 27.64 C ATOM 1067 OD1 ASP A 108 -47.646 -7.700 -15.695 1.00 27.42 O ATOM 1068 OD2 ASP A 108 -48.936 -8.620 -17.208 1.00 27.71 O ATOM 1069 H ASP A 108 -51.421 -6.533 -12.760 1.00 0.00 H ATOM 1070 N THR A 109 -48.114 -5.301 -14.350 1.00 27.68 N ATOM 1071 CA THR A 109 -47.668 -3.917 -14.507 1.00 27.71 C ATOM 1072 C THR A 109 -46.273 -3.850 -15.123 1.00 27.84 C ATOM 1073 O THR A 109 -45.484 -4.788 -14.996 1.00 27.80 O ATOM 1074 CB THR A 109 -47.650 -3.166 -13.155 1.00 27.65 C ATOM 1075 OG1 THR A 109 -47.233 -1.810 -13.359 1.00 27.54 O ATOM 1076 CG2 THR A 109 -46.706 -3.840 -12.158 1.00 27.63 C ATOM 1077 HG1 THR A 109 -47.864 -1.361 -13.975 1.00 0.00 H ATOM 1078 H THR A 109 -47.423 -6.068 -14.473 1.00 0.00 H ATOM 1079 N ASP A 110 -45.985 -2.737 -15.795 1.00 28.05 N ATOM 1080 CA ASP A 110 -44.635 -2.440 -16.278 1.00 28.29 C ATOM 1081 C ASP A 110 -44.008 -1.268 -15.509 1.00 28.33 C ATOM 1082 O ASP A 110 -42.934 -0.788 -15.873 1.00 28.37 O ATOM 1083 CB ASP A 110 -44.647 -2.157 -17.788 1.00 28.43 C ATOM 1084 CG ASP A 110 -45.429 -0.903 -18.155 1.00 28.59 C ATOM 1085 OD1 ASP A 110 -46.193 -0.390 -17.308 1.00 28.64 O ATOM 1086 OD2 ASP A 110 -45.283 -0.433 -19.303 1.00 28.74 O ATOM 1087 H ASP A 110 -46.746 -2.054 -15.984 1.00 0.00 H ATOM 1088 N TYR A 111 -44.702 -0.805 -14.466 1.00 28.36 N ATOM 1089 CA TYR A 111 -44.213 0.228 -13.535 1.00 28.35 C ATOM 1090 C TYR A 111 -44.198 1.670 -14.056 1.00 28.37 C ATOM 1091 O TYR A 111 -44.253 2.600 -13.249 1.00 28.34 O ATOM 1092 CB TYR A 111 -42.830 -0.134 -12.972 1.00 28.41 C ATOM 1093 CG TYR A 111 -42.782 -1.488 -12.300 1.00 28.45 C ATOM 1094 CD1 TYR A 111 -43.322 -1.674 -11.029 1.00 28.45 C ATOM 1095 CD2 TYR A 111 -42.197 -2.582 -12.931 1.00 28.43 C ATOM 1096 CE1 TYR A 111 -43.282 -2.911 -10.408 1.00 28.43 C ATOM 1097 CE2 TYR A 111 -42.152 -3.823 -12.317 1.00 28.46 C ATOM 1098 CZ TYR A 111 -42.696 -3.982 -11.057 1.00 28.45 C ATOM 1099 OH TYR A 111 -42.654 -5.212 -10.443 1.00 28.50 O ATOM 1100 HH TYR A 111 -41.711 -5.494 -10.336 1.00 0.00 H ATOM 1101 H TYR A 111 -45.650 -1.199 -14.300 1.00 0.00 H ATOM 1102 N ASP A 112 -44.132 1.871 -15.373 1.00 28.42 N ATOM 1103 CA ASP A 112 -43.993 3.226 -15.933 1.00 28.49 C ATOM 1104 C ASP A 112 -45.065 3.652 -16.952 1.00 28.22 C ATOM 1105 O ASP A 112 -45.012 4.776 -17.455 1.00 28.38 O ATOM 1106 CB ASP A 112 -42.584 3.419 -16.524 1.00 28.79 C ATOM 1107 CG ASP A 112 -42.221 2.366 -17.561 1.00 29.07 C ATOM 1108 OD1 ASP A 112 -43.073 1.517 -17.896 1.00 29.49 O ATOM 1109 OD2 ASP A 112 -41.067 2.389 -18.041 1.00 29.42 O ATOM 1110 H ASP A 112 -44.180 1.055 -16.017 1.00 0.00 H ATOM 1111 N THR A 113 -46.032 2.781 -17.248 1.00 27.81 N ATOM 1112 CA THR A 113 -47.152 3.149 -18.131 1.00 27.51 C ATOM 1113 C THR A 113 -48.512 2.679 -17.606 1.00 27.23 C ATOM 1114 O THR A 113 -49.440 3.481 -17.497 1.00 27.13 O ATOM 1115 CB THR A 113 -46.970 2.618 -19.572 1.00 27.56 C ATOM 1116 OG1 THR A 113 -47.241 1.213 -19.617 1.00 27.62 O ATOM 1117 CG2 THR A 113 -45.562 2.888 -20.090 1.00 27.64 C ATOM 1118 HG1 THR A 113 -46.616 0.738 -19.014 1.00 0.00 H ATOM 1119 H THR A 113 -45.994 1.822 -16.847 1.00 0.00 H ATOM 1120 N TYR A 114 -48.632 1.386 -17.299 1.00 26.84 N ATOM 1121 CA TYR A 114 -49.909 0.800 -16.882 1.00 26.59 C ATOM 1122 C TYR A 114 -49.783 -0.045 -15.616 1.00 26.34 C ATOM 1123 O TYR A 114 -48.680 -0.353 -15.160 1.00 26.29 O ATOM 1124 CB TYR A 114 -50.480 -0.071 -18.008 1.00 26.62 C ATOM 1125 CG TYR A 114 -49.951 -1.492 -18.015 1.00 26.67 C ATOM 1126 CD1 TYR A 114 -48.728 -1.799 -18.604 1.00 26.71 C ATOM 1127 CD2 TYR A 114 -50.673 -2.528 -17.425 1.00 26.70 C ATOM 1128 CE1 TYR A 114 -48.239 -3.095 -18.606 1.00 26.76 C ATOM 1129 CE2 TYR A 114 -50.191 -3.827 -17.420 1.00 26.74 C ATOM 1130 CZ TYR A 114 -48.975 -4.105 -18.012 1.00 26.78 C ATOM 1131 OH TYR A 114 -48.495 -5.394 -18.011 1.00 26.89 O ATOM 1132 HH TYR A 114 -47.619 -5.419 -18.472 1.00 0.00 H ATOM 1133 H TYR A 114 -47.793 0.775 -17.357 1.00 0.00 H ATOM 1134 N ALA A 115 -50.936 -0.421 -15.070 1.00 26.05 N ATOM 1135 CA ALA A 115 -51.014 -1.366 -13.960 1.00 25.79 C ATOM 1136 C ALA A 115 -52.445 -1.884 -13.820 1.00 25.59 C ATOM 1137 O ALA A 115 -53.400 -1.109 -13.900 1.00 25.58 O ATOM 1138 CB ALA A 115 -50.553 -0.710 -12.667 1.00 25.80 C ATOM 1139 H ALA A 115 -51.819 -0.025 -15.450 1.00 0.00 H ATOM 1140 N VAL A 116 -52.586 -3.194 -13.625 1.00 25.31 N ATOM 1141 CA VAL A 116 -53.894 -3.819 -13.429 1.00 25.10 C ATOM 1142 C VAL A 116 -54.017 -4.309 -11.988 1.00 24.89 C ATOM 1143 O VAL A 116 -53.262 -5.182 -11.555 1.00 24.75 O ATOM 1144 CB VAL A 116 -54.113 -5.004 -14.394 1.00 25.13 C ATOM 1145 CG1 VAL A 116 -55.500 -5.608 -14.198 1.00 25.12 C ATOM 1146 CG2 VAL A 116 -53.922 -4.557 -15.838 1.00 25.14 C ATOM 1147 H VAL A 116 -51.736 -3.794 -13.612 1.00 0.00 H ATOM 1148 N GLN A 117 -54.972 -3.738 -11.256 1.00 24.70 N ATOM 1149 CA GLN A 117 -55.226 -4.101 -9.863 1.00 24.50 C ATOM 1150 C GLN A 117 -56.457 -5.004 -9.777 1.00 24.48 C ATOM 1151 O GLN A 117 -57.372 -4.890 -10.592 1.00 24.36 O ATOM 1152 CB GLN A 117 -55.418 -2.832 -9.024 1.00 24.44 C ATOM 1153 CG GLN A 117 -55.697 -3.062 -7.541 1.00 24.38 C ATOM 1154 CD GLN A 117 -57.176 -3.206 -7.207 1.00 24.32 C ATOM 1155 OE1 GLN A 117 -58.047 -2.943 -8.037 1.00 24.25 O ATOM 1156 NE2 GLN A 117 -57.463 -3.622 -5.979 1.00 24.32 N ATOM 1157 HE22 GLN A 117 -56.696 -3.833 -5.309 1.00 0.00 H ATOM 1158 HE21 GLN A 117 -58.455 -3.737 -5.687 1.00 0.00 H ATOM 1159 H GLN A 117 -55.562 -3.002 -11.694 1.00 0.00 H ATOM 1160 N TYR A 118 -56.470 -5.897 -8.790 1.00 24.51 N ATOM 1161 CA TYR A 118 -57.603 -6.797 -8.565 1.00 24.61 C ATOM 1162 C TYR A 118 -57.832 -7.019 -7.070 1.00 24.74 C ATOM 1163 O TYR A 118 -56.894 -6.968 -6.273 1.00 24.77 O ATOM 1164 CB TYR A 118 -57.366 -8.134 -9.275 1.00 24.58 C ATOM 1165 CG TYR A 118 -58.480 -9.144 -9.092 1.00 24.54 C ATOM 1166 CD1 TYR A 118 -59.641 -9.078 -9.857 1.00 24.53 C ATOM 1167 CD2 TYR A 118 -58.371 -10.168 -8.153 1.00 24.55 C ATOM 1168 CE1 TYR A 118 -60.662 -10.000 -9.691 1.00 24.54 C ATOM 1169 CE2 TYR A 118 -59.386 -11.095 -7.980 1.00 24.48 C ATOM 1170 CZ TYR A 118 -60.529 -11.008 -8.751 1.00 24.50 C ATOM 1171 OH TYR A 118 -61.537 -11.928 -8.581 1.00 24.49 O ATOM 1172 HH TYR A 118 -62.277 -11.724 -9.206 1.00 0.00 H ATOM 1173 H TYR A 118 -55.647 -5.958 -8.157 1.00 0.00 H ATOM 1174 N SER A 119 -59.087 -7.262 -6.700 1.00 24.87 N ATOM 1175 CA SER A 119 -59.456 -7.504 -5.308 1.00 24.99 C ATOM 1176 C SER A 119 -60.770 -8.274 -5.217 1.00 25.05 C ATOM 1177 O SER A 119 -61.820 -7.759 -5.602 1.00 25.07 O ATOM 1178 CB SER A 119 -59.588 -6.177 -4.562 1.00 25.11 C ATOM 1179 OG SER A 119 -59.983 -6.381 -3.215 1.00 25.16 O ATOM 1180 HG SER A 119 -59.305 -6.936 -2.754 1.00 0.00 H ATOM 1181 H SER A 119 -59.830 -7.280 -7.427 1.00 0.00 H ATOM 1182 N CYS A 120 -60.705 -9.503 -4.711 1.00 25.20 N ATOM 1183 CA CYS A 120 -61.902 -10.305 -4.471 1.00 25.31 C ATOM 1184 C CYS A 120 -62.328 -10.166 -3.013 1.00 25.26 C ATOM 1185 O CYS A 120 -61.563 -10.497 -2.105 1.00 25.35 O ATOM 1186 CB CYS A 120 -61.644 -11.775 -4.804 1.00 25.43 C ATOM 1187 SG CYS A 120 -63.099 -12.837 -4.642 1.00 25.47 S ATOM 1188 H CYS A 120 -59.774 -9.905 -4.479 1.00 0.00 H ATOM 1189 N ARG A 121 -63.547 -9.676 -2.798 1.00 25.26 N ATOM 1190 CA ARG A 121 -64.083 -9.471 -1.450 1.00 25.24 C ATOM 1191 C ARG A 121 -64.810 -10.702 -0.910 1.00 25.43 C ATOM 1192 O ARG A 121 -64.760 -10.973 0.290 1.00 25.46 O ATOM 1193 CB ARG A 121 -65.025 -8.262 -1.425 1.00 25.12 C ATOM 1194 CG ARG A 121 -64.300 -6.927 -1.430 1.00 25.02 C ATOM 1195 CD ARG A 121 -65.267 -5.752 -1.475 1.00 24.89 C ATOM 1196 NE ARG A 121 -64.606 -4.499 -1.115 1.00 24.76 N ATOM 1197 CZ ARG A 121 -65.163 -3.290 -1.180 1.00 24.66 C ATOM 1198 NH1 ARG A 121 -66.414 -3.135 -1.602 1.00 24.64 N ATOM 1199 NH2 ARG A 121 -64.457 -2.223 -0.821 1.00 24.59 N ATOM 1200 HE ARG A 121 -63.623 -4.555 -0.782 1.00 0.00 H ATOM 1201 HH12 ARG A 121 -66.834 -2.185 -1.647 1.00 0.00 H ATOM 1202 HH11 ARG A 121 -66.973 -3.964 -1.887 1.00 0.00 H ATOM 1203 HH22 ARG A 121 -64.885 -1.276 -0.869 1.00 0.00 H ATOM 1204 HH21 ARG A 121 -63.477 -2.335 -0.492 1.00 0.00 H ATOM 1205 H ARG A 121 -64.140 -9.430 -3.616 1.00 0.00 H ATOM 1206 N LEU A 122 -65.481 -11.439 -1.794 1.00 25.58 N ATOM 1207 CA LEU A 122 -66.293 -12.589 -1.394 1.00 25.69 C ATOM 1208 C LEU A 122 -66.107 -13.750 -2.368 1.00 25.88 C ATOM 1209 O LEU A 122 -66.093 -13.551 -3.583 1.00 25.91 O ATOM 1210 CB LEU A 122 -67.767 -12.181 -1.340 1.00 25.66 C ATOM 1211 CG LEU A 122 -68.763 -13.164 -0.722 1.00 25.65 C ATOM 1212 CD1 LEU A 122 -68.441 -13.420 0.742 1.00 25.64 C ATOM 1213 CD2 LEU A 122 -70.176 -12.619 -0.877 1.00 25.64 C ATOM 1214 H LEU A 122 -65.426 -11.189 -2.802 1.00 0.00 H ATOM 1215 N LEU A 123 -65.983 -14.959 -1.826 1.00 26.08 N ATOM 1216 CA LEU A 123 -65.694 -16.152 -2.620 1.00 26.24 C ATOM 1217 C LEU A 123 -66.918 -17.064 -2.710 1.00 26.27 C ATOM 1218 O LEU A 123 -67.608 -17.280 -1.714 1.00 26.26 O ATOM 1219 CB LEU A 123 -64.528 -16.917 -1.986 1.00 26.39 C ATOM 1220 CG LEU A 123 -63.622 -17.722 -2.919 1.00 26.48 C ATOM 1221 CD1 LEU A 123 -62.758 -16.796 -3.761 1.00 26.55 C ATOM 1222 CD2 LEU A 123 -62.748 -18.672 -2.115 1.00 26.54 C ATOM 1223 H LEU A 123 -66.096 -15.059 -0.797 1.00 0.00 H ATOM 1224 N ASN A 124 -67.186 -17.591 -3.904 1.00 26.28 N ATOM 1225 CA ASN A 124 -68.229 -18.604 -4.087 1.00 26.27 C ATOM 1226 C ASN A 124 -67.752 -19.960 -3.574 1.00 26.32 C ATOM 1227 O ASN A 124 -66.562 -20.149 -3.311 1.00 26.36 O ATOM 1228 CB ASN A 124 -68.624 -18.729 -5.564 1.00 26.27 C ATOM 1229 CG ASN A 124 -69.456 -17.557 -6.053 1.00 26.34 C ATOM 1230 OD1 ASN A 124 -70.418 -17.148 -5.402 1.00 26.37 O ATOM 1231 ND2 ASN A 124 -69.103 -17.023 -7.219 1.00 26.36 N ATOM 1232 HD22 ASN A 124 -68.283 -17.399 -7.736 1.00 0.00 H ATOM 1233 HD21 ASN A 124 -69.647 -16.229 -7.613 1.00 0.00 H ATOM 1234 H ASN A 124 -66.639 -17.274 -4.730 1.00 0.00 H ATOM 1235 N LEU A 125 -68.683 -20.901 -3.440 1.00 26.36 N ATOM 1236 CA LEU A 125 -68.355 -22.256 -2.992 1.00 26.43 C ATOM 1237 C LEU A 125 -67.482 -23.000 -4.004 1.00 26.53 C ATOM 1238 O LEU A 125 -66.615 -23.786 -3.617 1.00 26.54 O ATOM 1239 CB LEU A 125 -69.632 -23.060 -2.722 1.00 26.47 C ATOM 1240 CG LEU A 125 -70.515 -22.578 -1.568 1.00 26.46 C ATOM 1241 CD1 LEU A 125 -71.811 -23.374 -1.528 1.00 26.44 C ATOM 1242 CD2 LEU A 125 -69.781 -22.679 -0.237 1.00 26.51 C ATOM 1243 H LEU A 125 -69.672 -20.667 -3.660 1.00 0.00 H ATOM 1244 N ASP A 126 -67.708 -22.745 -5.293 1.00 26.62 N ATOM 1245 CA ASP A 126 -66.947 -23.403 -6.361 1.00 26.75 C ATOM 1246 C ASP A 126 -65.519 -22.866 -6.536 1.00 26.72 C ATOM 1247 O ASP A 126 -64.702 -23.495 -7.209 1.00 26.90 O ATOM 1248 CB ASP A 126 -67.709 -23.338 -7.697 1.00 26.80 C ATOM 1249 CG ASP A 126 -67.821 -21.925 -8.259 1.00 26.92 C ATOM 1250 OD1 ASP A 126 -67.413 -20.959 -7.580 1.00 26.90 O ATOM 1251 OD2 ASP A 126 -68.329 -21.784 -9.392 1.00 27.08 O ATOM 1252 H ASP A 126 -68.446 -22.059 -5.549 1.00 0.00 H ATOM 1253 N GLY A 127 -65.229 -21.707 -5.944 1.00 26.69 N ATOM 1254 CA GLY A 127 -63.892 -21.112 -5.999 1.00 26.57 C ATOM 1255 C GLY A 127 -63.836 -19.779 -6.725 1.00 26.44 C ATOM 1256 O GLY A 127 -62.880 -19.021 -6.559 1.00 26.50 O ATOM 1257 H GLY A 127 -65.979 -21.208 -5.425 1.00 0.00 H ATOM 1258 N THR A 128 -64.857 -19.491 -7.530 1.00 26.31 N ATOM 1259 CA THR A 128 -64.936 -18.224 -8.258 1.00 26.24 C ATOM 1260 C THR A 128 -65.262 -17.079 -7.302 1.00 26.09 C ATOM 1261 O THR A 128 -65.694 -17.309 -6.171 1.00 26.06 O ATOM 1262 CB THR A 128 -66.007 -18.273 -9.366 1.00 26.27 C ATOM 1263 OG1 THR A 128 -67.289 -18.552 -8.791 1.00 26.27 O ATOM 1264 CG2 THR A 128 -65.670 -19.345 -10.395 1.00 26.29 C ATOM 1265 HG1 THR A 128 -67.258 -19.426 -8.327 1.00 0.00 H ATOM 1266 H THR A 128 -65.621 -20.187 -7.645 1.00 0.00 H ATOM 1267 N CYS A 129 -65.050 -15.848 -7.759 1.00 25.95 N ATOM 1268 CA CYS A 129 -65.310 -14.673 -6.931 1.00 25.87 C ATOM 1269 C CYS A 129 -66.768 -14.235 -7.056 1.00 25.81 C ATOM 1270 O CYS A 129 -67.286 -14.080 -8.163 1.00 25.80 O ATOM 1271 CB CYS A 129 -64.379 -13.523 -7.315 1.00 25.78 C ATOM 1272 SG CYS A 129 -64.354 -12.180 -6.104 1.00 25.82 S ATOM 1273 H CYS A 129 -64.691 -15.719 -8.727 1.00 0.00 H ATOM 1274 N ALA A 130 -67.420 -14.044 -5.911 1.00 25.72 N ATOM 1275 CA ALA A 130 -68.811 -13.596 -5.861 1.00 25.68 C ATOM 1276 C ALA A 130 -68.914 -12.074 -5.927 1.00 25.64 C ATOM 1277 O ALA A 130 -69.867 -11.538 -6.493 1.00 25.74 O ATOM 1278 CB ALA A 130 -69.483 -14.113 -4.597 1.00 25.64 C ATOM 1279 H ALA A 130 -66.920 -14.221 -5.016 1.00 0.00 H ATOM 1280 N ASP A 131 -67.935 -11.388 -5.339 1.00 25.54 N ATOM 1281 CA ASP A 131 -67.922 -9.928 -5.289 1.00 25.45 C ATOM 1282 C ASP A 131 -66.495 -9.407 -5.443 1.00 25.31 C ATOM 1283 O ASP A 131 -65.655 -9.619 -4.566 1.00 25.25 O ATOM 1284 CB ASP A 131 -68.522 -9.450 -3.964 1.00 25.52 C ATOM 1285 CG ASP A 131 -68.591 -7.937 -3.857 1.00 25.58 C ATOM 1286 OD1 ASP A 131 -68.789 -7.262 -4.890 1.00 25.70 O ATOM 1287 OD2 ASP A 131 -68.455 -7.421 -2.730 1.00 25.73 O ATOM 1288 H ASP A 131 -67.151 -11.911 -4.899 1.00 0.00 H ATOM 1289 N SER A 132 -66.230 -8.723 -6.556 1.00 25.14 N ATOM 1290 CA SER A 132 -64.889 -8.229 -6.868 1.00 25.00 C ATOM 1291 C SER A 132 -64.896 -6.785 -7.350 1.00 24.85 C ATOM 1292 O SER A 132 -65.923 -6.266 -7.790 1.00 24.75 O ATOM 1293 CB SER A 132 -64.249 -9.098 -7.952 1.00 25.02 C ATOM 1294 OG SER A 132 -65.017 -9.075 -9.144 1.00 25.04 O ATOM 1295 HG SER A 132 -64.581 -9.644 -9.827 1.00 0.00 H ATOM 1296 H SER A 132 -67.003 -8.534 -7.225 1.00 0.00 H ATOM 1297 N TYR A 133 -63.732 -6.146 -7.256 1.00 24.77 N ATOM 1298 CA TYR A 133 -63.489 -4.870 -7.921 1.00 24.74 C ATOM 1299 C TYR A 133 -62.066 -4.831 -8.474 1.00 24.76 C ATOM 1300 O TYR A 133 -61.166 -5.487 -7.946 1.00 24.84 O ATOM 1301 CB TYR A 133 -63.760 -3.686 -6.983 1.00 24.68 C ATOM 1302 CG TYR A 133 -62.803 -3.537 -5.819 1.00 24.59 C ATOM 1303 CD1 TYR A 133 -61.660 -2.748 -5.926 1.00 24.54 C ATOM 1304 CD2 TYR A 133 -63.057 -4.161 -4.600 1.00 24.53 C ATOM 1305 CE1 TYR A 133 -60.788 -2.600 -4.859 1.00 24.51 C ATOM 1306 CE2 TYR A 133 -62.192 -4.018 -3.528 1.00 24.50 C ATOM 1307 CZ TYR A 133 -61.060 -3.237 -3.661 1.00 24.50 C ATOM 1308 OH TYR A 133 -60.200 -3.097 -2.597 1.00 24.43 O ATOM 1309 HH TYR A 133 -59.447 -2.510 -2.858 1.00 0.00 H ATOM 1310 H TYR A 133 -62.970 -6.570 -6.690 1.00 0.00 H ATOM 1311 N SER A 134 -61.881 -4.068 -9.547 1.00 24.72 N ATOM 1312 CA SER A 134 -60.599 -3.992 -10.242 1.00 24.76 C ATOM 1313 C SER A 134 -60.391 -2.602 -10.835 1.00 24.80 C ATOM 1314 O SER A 134 -61.354 -1.936 -11.217 1.00 24.81 O ATOM 1315 CB SER A 134 -60.546 -5.048 -11.349 1.00 24.74 C ATOM 1316 OG SER A 134 -59.372 -4.923 -12.132 1.00 24.71 O ATOM 1317 HG SER A 134 -58.577 -5.036 -11.553 1.00 0.00 H ATOM 1318 H SER A 134 -62.679 -3.505 -9.904 1.00 0.00 H ATOM 1319 N PHE A 135 -59.132 -2.176 -10.905 1.00 24.90 N ATOM 1320 CA PHE A 135 -58.772 -0.873 -11.465 1.00 25.06 C ATOM 1321 C PHE A 135 -57.716 -1.014 -12.557 1.00 25.20 C ATOM 1322 O PHE A 135 -56.774 -1.798 -12.423 1.00 25.07 O ATOM 1323 CB PHE A 135 -58.234 0.052 -10.370 1.00 25.08 C ATOM 1324 CG PHE A 135 -59.298 0.635 -9.484 1.00 25.10 C ATOM 1325 CD1 PHE A 135 -60.167 1.604 -9.969 1.00 25.14 C ATOM 1326 CD2 PHE A 135 -59.421 0.232 -8.161 1.00 25.10 C ATOM 1327 CE1 PHE A 135 -61.146 2.149 -9.156 1.00 25.18 C ATOM 1328 CE2 PHE A 135 -60.398 0.775 -7.343 1.00 25.15 C ATOM 1329 CZ PHE A 135 -61.262 1.734 -7.841 1.00 25.13 C ATOM 1330 H PHE A 135 -58.375 -2.793 -10.548 1.00 0.00 H ATOM 1331 N VAL A 136 -57.887 -0.251 -13.634 1.00 25.38 N ATOM 1332 CA VAL A 136 -56.867 -0.108 -14.666 1.00 25.49 C ATOM 1333 C VAL A 136 -56.139 1.212 -14.423 1.00 25.68 C ATOM 1334 O VAL A 136 -56.629 2.279 -14.799 1.00 25.80 O ATOM 1335 CB VAL A 136 -57.481 -0.122 -16.081 1.00 25.47 C ATOM 1336 CG1 VAL A 136 -56.409 0.117 -17.139 1.00 25.48 C ATOM 1337 CG2 VAL A 136 -58.200 -1.439 -16.332 1.00 25.47 C ATOM 1338 H VAL A 136 -58.784 0.264 -13.744 1.00 0.00 H ATOM 1339 N PHE A 137 -54.978 1.131 -13.779 1.00 25.93 N ATOM 1340 CA PHE A 137 -54.186 2.317 -13.458 1.00 26.12 C ATOM 1341 C PHE A 137 -53.285 2.720 -14.622 1.00 26.48 C ATOM 1342 O PHE A 137 -52.959 1.903 -15.486 1.00 26.49 O ATOM 1343 CB PHE A 137 -53.338 2.078 -12.206 1.00 26.09 C ATOM 1344 CG PHE A 137 -54.134 2.023 -10.933 1.00 25.98 C ATOM 1345 CD1 PHE A 137 -54.720 3.171 -10.417 1.00 25.95 C ATOM 1346 CD2 PHE A 137 -54.286 0.828 -10.240 1.00 25.95 C ATOM 1347 CE1 PHE A 137 -55.450 3.128 -9.241 1.00 25.93 C ATOM 1348 CE2 PHE A 137 -55.014 0.779 -9.063 1.00 25.90 C ATOM 1349 CZ PHE A 137 -55.598 1.930 -8.563 1.00 25.91 C ATOM 1350 H PHE A 137 -54.623 0.196 -13.495 1.00 0.00 H ATOM 1351 N SER A 138 -52.886 3.990 -14.627 1.00 26.82 N ATOM 1352 CA SER A 138 -52.026 4.543 -15.670 1.00 26.99 C ATOM 1353 C SER A 138 -51.200 5.703 -15.120 1.00 27.15 C ATOM 1354 O SER A 138 -51.694 6.489 -14.312 1.00 27.12 O ATOM 1355 CB SER A 138 -52.873 5.032 -16.847 1.00 27.08 C ATOM 1356 OG SER A 138 -52.064 5.608 -17.860 1.00 27.00 O ATOM 1357 HG SER A 138 -51.568 6.379 -17.486 1.00 0.00 H ATOM 1358 H SER A 138 -53.200 4.614 -13.856 1.00 0.00 H ATOM 1359 N ARG A 139 -49.947 5.803 -15.557 1.00 27.36 N ATOM 1360 CA ARG A 139 -49.084 6.923 -15.174 1.00 27.58 C ATOM 1361 C ARG A 139 -49.516 8.204 -15.882 1.00 27.91 C ATOM 1362 O ARG A 139 -49.509 9.282 -15.287 1.00 28.12 O ATOM 1363 CB ARG A 139 -47.620 6.624 -15.506 1.00 27.46 C ATOM 1364 CG ARG A 139 -47.013 5.465 -14.731 1.00 27.35 C ATOM 1365 CD ARG A 139 -46.919 5.751 -13.240 1.00 27.20 C ATOM 1366 NE ARG A 139 -45.995 4.836 -12.571 1.00 27.03 N ATOM 1367 CZ ARG A 139 -45.708 4.860 -11.271 1.00 26.92 C ATOM 1368 NH1 ARG A 139 -46.275 5.752 -10.464 1.00 26.93 N ATOM 1369 NH2 ARG A 139 -44.849 3.979 -10.770 1.00 26.92 N ATOM 1370 HE ARG A 139 -45.527 4.113 -13.154 1.00 0.00 H ATOM 1371 HH12 ARG A 139 -46.041 5.759 -9.451 1.00 0.00 H ATOM 1372 HH11 ARG A 139 -46.952 6.443 -10.846 1.00 0.00 H ATOM 1373 HH22 ARG A 139 -44.622 3.994 -9.755 1.00 0.00 H ATOM 1374 HH21 ARG A 139 -44.404 3.275 -11.393 1.00 0.00 H ATOM 1375 H ARG A 139 -49.570 5.066 -16.187 1.00 0.00 H ATOM 1376 N ASP A 140 -49.883 8.074 -17.156 1.00 28.31 N ATOM 1377 CA ASP A 140 -50.351 9.196 -17.962 1.00 28.67 C ATOM 1378 C ASP A 140 -51.880 9.161 -18.027 1.00 28.85 C ATOM 1379 O ASP A 140 -52.451 8.186 -18.518 1.00 28.82 O ATOM 1380 CB ASP A 140 -49.757 9.103 -19.374 1.00 28.84 C ATOM 1381 CG ASP A 140 -49.955 10.374 -20.192 1.00 28.99 C ATOM 1382 OD1 ASP A 140 -50.728 11.264 -19.778 1.00 29.11 O ATOM 1383 OD2 ASP A 140 -49.329 10.480 -21.268 1.00 29.16 O ATOM 1384 H ASP A 140 -49.834 7.132 -17.595 1.00 0.00 H ATOM 1385 N PRO A 141 -52.550 10.220 -17.531 1.00 29.10 N ATOM 1386 CA PRO A 141 -54.014 10.252 -17.615 1.00 29.25 C ATOM 1387 C PRO A 141 -54.555 10.450 -19.038 1.00 29.39 C ATOM 1388 O PRO A 141 -55.728 10.171 -19.286 1.00 29.39 O ATOM 1389 CB PRO A 141 -54.395 11.437 -16.718 1.00 29.26 C ATOM 1390 CG PRO A 141 -53.192 12.311 -16.703 1.00 29.18 C ATOM 1391 CD PRO A 141 -52.012 11.392 -16.814 1.00 29.16 C ATOM 1392 N ASN A 142 -53.713 10.921 -19.957 1.00 29.64 N ATOM 1393 CA ASN A 142 -54.112 11.092 -21.358 1.00 29.87 C ATOM 1394 C ASN A 142 -54.343 9.775 -22.104 1.00 30.00 C ATOM 1395 O ASN A 142 -55.052 9.756 -23.109 1.00 30.08 O ATOM 1396 CB ASN A 142 -53.080 11.937 -22.116 1.00 29.95 C ATOM 1397 CG ASN A 142 -53.041 13.379 -21.644 1.00 30.07 C ATOM 1398 OD1 ASN A 142 -51.981 13.902 -21.305 1.00 30.41 O ATOM 1399 ND2 ASN A 142 -54.200 14.029 -21.622 1.00 30.07 N ATOM 1400 HD22 ASN A 142 -55.073 13.546 -21.918 1.00 0.00 H ATOM 1401 HD21 ASN A 142 -54.234 15.020 -21.309 1.00 0.00 H ATOM 1402 H ASN A 142 -52.745 11.175 -19.673 1.00 0.00 H ATOM 1403 N GLY A 143 -53.742 8.685 -21.626 1.00 30.12 N ATOM 1404 CA GLY A 143 -53.968 7.363 -22.216 1.00 30.16 C ATOM 1405 C GLY A 143 -52.832 6.380 -22.005 1.00 30.18 C ATOM 1406 O GLY A 143 -51.819 6.705 -21.382 1.00 30.14 O ATOM 1407 H GLY A 143 -53.097 8.775 -20.815 1.00 0.00 H ATOM 1408 N LEU A 144 -53.016 5.172 -22.536 1.00 30.31 N ATOM 1409 CA LEU A 144 -52.017 4.107 -22.464 1.00 30.33 C ATOM 1410 C LEU A 144 -51.405 3.862 -23.844 1.00 30.55 C ATOM 1411 O LEU A 144 -52.068 4.089 -24.858 1.00 30.65 O ATOM 1412 CB LEU A 144 -52.665 2.813 -21.966 1.00 30.26 C ATOM 1413 CG LEU A 144 -53.208 2.813 -20.536 1.00 30.18 C ATOM 1414 CD1 LEU A 144 -54.097 1.602 -20.303 1.00 30.16 C ATOM 1415 CD2 LEU A 144 -52.069 2.845 -19.529 1.00 30.16 C ATOM 1416 H LEU A 144 -53.913 4.977 -23.025 1.00 0.00 H ATOM 1417 N PRO A 145 -50.140 3.395 -23.894 1.00 30.83 N ATOM 1418 CA PRO A 145 -49.560 2.994 -25.182 1.00 31.04 C ATOM 1419 C PRO A 145 -50.226 1.738 -25.763 1.00 31.32 C ATOM 1420 O PRO A 145 -50.885 1.004 -25.026 1.00 31.30 O ATOM 1421 CB PRO A 145 -48.091 2.706 -24.841 1.00 31.02 C ATOM 1422 CG PRO A 145 -47.838 3.403 -23.550 1.00 30.94 C ATOM 1423 CD PRO A 145 -49.140 3.369 -22.812 1.00 30.89 C ATOM 1424 N PRO A 146 -50.051 1.489 -27.077 1.00 31.70 N ATOM 1425 CA PRO A 146 -50.644 0.322 -27.747 1.00 31.92 C ATOM 1426 C PRO A 146 -50.363 -1.022 -27.065 1.00 32.19 C ATOM 1427 O PRO A 146 -51.264 -1.856 -26.963 1.00 32.11 O ATOM 1428 CB PRO A 146 -49.997 0.350 -29.135 1.00 31.85 C ATOM 1429 CG PRO A 146 -49.675 1.781 -29.370 1.00 31.80 C ATOM 1430 CD PRO A 146 -49.330 2.357 -28.028 1.00 31.76 C ATOM 1431 N GLU A 147 -49.128 -1.225 -26.613 1.00 32.67 N ATOM 1432 CA GLU A 147 -48.738 -2.480 -25.966 1.00 33.06 C ATOM 1433 C GLU A 147 -49.412 -2.648 -24.602 1.00 33.02 C ATOM 1434 O GLU A 147 -49.798 -3.757 -24.230 1.00 33.06 O ATOM 1435 CB GLU A 147 -47.213 -2.554 -25.815 1.00 33.42 C ATOM 1436 CG GLU A 147 -46.683 -3.891 -25.309 1.00 33.79 C ATOM 1437 CD GLU A 147 -47.087 -5.067 -26.182 1.00 34.10 C ATOM 1438 OE1 GLU A 147 -47.137 -4.911 -27.421 1.00 34.38 O ATOM 1439 OE2 GLU A 147 -47.351 -6.154 -25.626 1.00 34.51 O ATOM 1440 H GLU A 147 -48.420 -0.471 -26.722 1.00 0.00 H ATOM 1441 N ALA A 148 -49.544 -1.548 -23.864 1.00 32.93 N ATOM 1442 CA ALA A 148 -50.228 -1.558 -22.569 1.00 32.87 C ATOM 1443 C ALA A 148 -51.717 -1.876 -22.714 1.00 32.90 C ATOM 1444 O ALA A 148 -52.295 -2.548 -21.860 1.00 32.91 O ATOM 1445 CB ALA A 148 -50.041 -0.225 -21.862 1.00 32.89 C ATOM 1446 H ALA A 148 -49.149 -0.653 -24.218 1.00 0.00 H ATOM 1447 N GLN A 149 -52.328 -1.391 -23.793 1.00 32.90 N ATOM 1448 CA GLN A 149 -53.739 -1.668 -24.082 1.00 32.98 C ATOM 1449 C GLN A 149 -53.982 -3.157 -24.314 1.00 32.96 C ATOM 1450 O GLN A 149 -54.979 -3.710 -23.846 1.00 32.91 O ATOM 1451 CB GLN A 149 -54.202 -0.891 -25.318 1.00 32.98 C ATOM 1452 CG GLN A 149 -54.224 0.621 -25.155 1.00 33.03 C ATOM 1453 CD GLN A 149 -54.264 1.343 -26.490 1.00 33.14 C ATOM 1454 OE1 GLN A 149 -55.034 0.981 -27.380 1.00 33.26 O ATOM 1455 NE2 GLN A 149 -53.428 2.365 -26.639 1.00 33.21 N ATOM 1456 HE22 GLN A 149 -52.795 2.636 -25.860 1.00 0.00 H ATOM 1457 HE21 GLN A 149 -53.407 2.893 -27.534 1.00 0.00 H ATOM 1458 H GLN A 149 -51.787 -0.796 -24.453 1.00 0.00 H ATOM 1459 N LYS A 150 -53.068 -3.794 -25.044 1.00 33.01 N ATOM 1460 CA LYS A 150 -53.189 -5.212 -25.384 1.00 33.13 C ATOM 1461 C LYS A 150 -53.077 -6.111 -24.153 1.00 32.85 C ATOM 1462 O LYS A 150 -53.825 -7.080 -24.022 1.00 32.77 O ATOM 1463 CB LYS A 150 -52.126 -5.602 -26.418 1.00 33.43 C ATOM 1464 CG LYS A 150 -52.268 -7.017 -26.958 1.00 33.87 C ATOM 1465 CD LYS A 150 -51.371 -7.247 -28.164 1.00 34.22 C ATOM 1466 CE LYS A 150 -51.478 -8.677 -28.669 1.00 34.45 C ATOM 1467 NZ LYS A 150 -50.682 -8.894 -29.909 1.00 34.61 N ATOM 1468 HZ1 LYS A 150 -51.027 -8.259 -30.657 1.00 0.00 H ATOM 1469 HZ2 LYS A 150 -49.680 -8.692 -29.716 1.00 0.00 H ATOM 1470 HZ3 LYS A 150 -50.785 -9.882 -30.217 1.00 0.00 H ATOM 1471 H LYS A 150 -52.240 -3.265 -25.384 1.00 0.00 H ATOM 1472 N ILE A 151 -52.147 -5.786 -23.258 1.00 32.71 N ATOM 1473 CA ILE A 151 -51.939 -6.573 -22.040 1.00 32.66 C ATOM 1474 C ILE A 151 -53.123 -6.413 -21.084 1.00 32.61 C ATOM 1475 O ILE A 151 -53.603 -7.397 -20.523 1.00 32.54 O ATOM 1476 CB ILE A 151 -50.629 -6.187 -21.316 1.00 32.64 C ATOM 1477 CG1 ILE A 151 -49.416 -6.479 -22.209 1.00 32.65 C ATOM 1478 CG2 ILE A 151 -50.496 -6.950 -20.001 1.00 32.66 C ATOM 1479 CD1 ILE A 151 -48.144 -5.785 -21.767 1.00 32.63 C ATOM 1480 H ILE A 151 -51.552 -4.950 -23.428 1.00 0.00 H ATOM 1481 N VAL A 152 -53.587 -5.177 -20.908 1.00 32.59 N ATOM 1482 CA VAL A 152 -54.731 -4.892 -20.037 1.00 32.66 C ATOM 1483 C VAL A 152 -55.966 -5.676 -20.486 1.00 32.97 C ATOM 1484 O VAL A 152 -56.602 -6.349 -19.676 1.00 32.85 O ATOM 1485 CB VAL A 152 -55.051 -3.377 -19.991 1.00 32.49 C ATOM 1486 CG1 VAL A 152 -56.415 -3.118 -19.358 1.00 32.42 C ATOM 1487 CG2 VAL A 152 -53.965 -2.626 -19.231 1.00 32.42 C ATOM 1488 H VAL A 152 -53.123 -4.389 -21.404 1.00 0.00 H ATOM 1489 N ARG A 153 -56.290 -5.591 -21.774 1.00 33.39 N ATOM 1490 CA ARG A 153 -57.437 -6.309 -22.337 1.00 33.87 C ATOM 1491 C ARG A 153 -57.316 -7.823 -22.146 1.00 33.78 C ATOM 1492 O ARG A 153 -58.314 -8.501 -21.895 1.00 33.60 O ATOM 1493 CB ARG A 153 -57.602 -5.973 -23.824 1.00 34.46 C ATOM 1494 CG ARG A 153 -58.818 -6.613 -24.480 1.00 34.94 C ATOM 1495 CD ARG A 153 -59.183 -5.947 -25.800 1.00 35.39 C ATOM 1496 NE ARG A 153 -58.062 -5.907 -26.744 1.00 35.86 N ATOM 1497 CZ ARG A 153 -57.277 -4.852 -26.979 1.00 36.21 C ATOM 1498 NH1 ARG A 153 -57.459 -3.695 -26.344 1.00 36.34 N ATOM 1499 NH2 ARG A 153 -56.292 -4.954 -27.866 1.00 36.42 N ATOM 1500 HE ARG A 153 -57.860 -6.777 -27.278 1.00 0.00 H ATOM 1501 HH12 ARG A 153 -56.834 -2.888 -26.544 1.00 0.00 H ATOM 1502 HH11 ARG A 153 -58.226 -3.599 -25.648 1.00 0.00 H ATOM 1503 HH22 ARG A 153 -55.676 -4.138 -28.055 1.00 0.00 H ATOM 1504 HH21 ARG A 153 -56.137 -5.850 -28.371 1.00 0.00 H ATOM 1505 H ARG A 153 -55.711 -4.996 -22.401 1.00 0.00 H ATOM 1506 N GLN A 154 -56.096 -8.342 -22.264 1.00 33.80 N ATOM 1507 CA GLN A 154 -55.832 -9.767 -22.065 1.00 33.93 C ATOM 1508 C GLN A 154 -56.012 -10.173 -20.600 1.00 33.82 C ATOM 1509 O GLN A 154 -56.633 -11.196 -20.310 1.00 33.70 O ATOM 1510 CB GLN A 154 -54.417 -10.118 -22.538 1.00 34.13 C ATOM 1511 CG GLN A 154 -54.130 -11.612 -22.607 1.00 34.46 C ATOM 1512 CD GLN A 154 -52.736 -11.928 -23.122 1.00 34.76 C ATOM 1513 OE1 GLN A 154 -52.121 -11.126 -23.827 1.00 34.90 O ATOM 1514 NE2 GLN A 154 -52.232 -13.107 -22.774 1.00 34.92 N ATOM 1515 HE22 GLN A 154 -52.786 -13.754 -22.177 1.00 0.00 H ATOM 1516 HE21 GLN A 154 -51.283 -13.383 -23.099 1.00 0.00 H ATOM 1517 H GLN A 154 -55.304 -7.713 -22.506 1.00 0.00 H ATOM 1518 N ARG A 155 -55.472 -9.368 -19.687 1.00 33.58 N ATOM 1519 CA ARG A 155 -55.557 -9.653 -18.252 1.00 33.52 C ATOM 1520 C ARG A 155 -56.986 -9.522 -17.721 1.00 33.31 C ATOM 1521 O ARG A 155 -57.404 -10.304 -16.867 1.00 33.10 O ATOM 1522 CB ARG A 155 -54.618 -8.737 -17.458 1.00 33.60 C ATOM 1523 CG ARG A 155 -53.139 -8.950 -17.749 1.00 33.71 C ATOM 1524 CD ARG A 155 -52.611 -10.239 -17.139 1.00 33.84 C ATOM 1525 NE ARG A 155 -51.244 -10.521 -17.573 1.00 34.01 N ATOM 1526 CZ ARG A 155 -50.906 -11.043 -18.752 1.00 34.19 C ATOM 1527 NH1 ARG A 155 -49.625 -11.254 -19.032 1.00 34.20 N ATOM 1528 NH2 ARG A 155 -51.831 -11.352 -19.659 1.00 34.33 N ATOM 1529 HE ARG A 155 -50.475 -10.297 -16.910 1.00 0.00 H ATOM 1530 HH12 ARG A 155 -49.354 -11.661 -19.950 1.00 0.00 H ATOM 1531 HH11 ARG A 155 -48.893 -11.012 -18.333 1.00 0.00 H ATOM 1532 HH22 ARG A 155 -51.547 -11.758 -20.573 1.00 0.00 H ATOM 1533 HH21 ARG A 155 -52.837 -11.187 -19.453 1.00 0.00 H ATOM 1534 H ARG A 155 -54.975 -8.511 -20.002 1.00 0.00 H ATOM 1535 N GLN A 156 -57.725 -8.535 -18.224 1.00 33.21 N ATOM 1536 CA GLN A 156 -59.136 -8.361 -17.866 1.00 33.11 C ATOM 1537 C GLN A 156 -59.966 -9.589 -18.239 1.00 33.17 C ATOM 1538 O GLN A 156 -60.840 -10.010 -17.480 1.00 33.17 O ATOM 1539 CB GLN A 156 -59.717 -7.123 -18.552 1.00 33.00 C ATOM 1540 CG GLN A 156 -59.222 -5.804 -17.981 1.00 32.97 C ATOM 1541 CD GLN A 156 -59.667 -4.607 -18.802 1.00 32.89 C ATOM 1542 OE1 GLN A 156 -59.603 -4.626 -20.030 1.00 32.93 O ATOM 1543 NE2 GLN A 156 -60.114 -3.554 -18.125 1.00 32.88 N ATOM 1544 HE22 GLN A 156 -60.151 -3.581 -17.086 1.00 0.00 H ATOM 1545 HE21 GLN A 156 -60.427 -2.703 -18.634 1.00 0.00 H ATOM 1546 H GLN A 156 -57.288 -7.867 -18.891 1.00 0.00 H ATOM 1547 N GLU A 157 -59.682 -10.155 -19.409 1.00 33.29 N ATOM 1548 CA GLU A 157 -60.380 -11.344 -19.893 1.00 33.41 C ATOM 1549 C GLU A 157 -59.966 -12.596 -19.115 1.00 33.09 C ATOM 1550 O GLU A 157 -60.791 -13.477 -18.867 1.00 33.15 O ATOM 1551 CB GLU A 157 -60.117 -11.534 -21.390 1.00 33.84 C ATOM 1552 CG GLU A 157 -61.092 -12.475 -22.082 1.00 34.23 C ATOM 1553 CD GLU A 157 -61.050 -12.360 -23.596 1.00 34.58 C ATOM 1554 OE1 GLU A 157 -60.990 -11.224 -24.114 1.00 34.79 O ATOM 1555 OE2 GLU A 157 -61.089 -13.410 -24.273 1.00 34.97 O ATOM 1556 H GLU A 157 -58.936 -9.736 -20.001 1.00 0.00 H ATOM 1557 N GLU A 158 -58.693 -12.666 -18.729 1.00 32.72 N ATOM 1558 CA GLU A 158 -58.176 -13.786 -17.935 1.00 32.45 C ATOM 1559 C GLU A 158 -58.681 -13.778 -16.485 1.00 32.21 C ATOM 1560 O GLU A 158 -58.679 -14.816 -15.822 1.00 32.08 O ATOM 1561 CB GLU A 158 -56.643 -13.800 -17.965 1.00 32.46 C ATOM 1562 CG GLU A 158 -56.070 -14.234 -19.309 1.00 32.50 C ATOM 1563 CD GLU A 158 -54.575 -13.997 -19.442 1.00 32.50 C ATOM 1564 OE1 GLU A 158 -53.984 -13.299 -18.591 1.00 32.48 O ATOM 1565 OE2 GLU A 158 -53.984 -14.513 -20.414 1.00 32.70 O ATOM 1566 H GLU A 158 -58.043 -11.900 -19.000 1.00 0.00 H ATOM 1567 N LEU A 159 -59.113 -12.611 -16.004 1.00 31.89 N ATOM 1568 CA LEU A 159 -59.739 -12.488 -14.681 1.00 31.75 C ATOM 1569 C LEU A 159 -61.249 -12.768 -14.708 1.00 31.81 C ATOM 1570 O LEU A 159 -61.916 -12.653 -13.678 1.00 31.69 O ATOM 1571 CB LEU A 159 -59.490 -11.088 -14.106 1.00 31.57 C ATOM 1572 CG LEU A 159 -58.046 -10.758 -13.717 1.00 31.46 C ATOM 1573 CD1 LEU A 159 -57.846 -9.253 -13.606 1.00 31.39 C ATOM 1574 CD2 LEU A 159 -57.660 -11.449 -12.418 1.00 31.40 C ATOM 1575 H LEU A 159 -59.002 -11.757 -16.587 1.00 0.00 H ATOM 1576 N CYS A 160 -61.776 -13.135 -15.879 1.00 31.93 N ATOM 1577 CA CYS A 160 -63.208 -13.385 -16.079 1.00 32.10 C ATOM 1578 C CYS A 160 -64.053 -12.134 -15.823 1.00 32.02 C ATOM 1579 O CYS A 160 -65.136 -12.211 -15.239 1.00 32.04 O ATOM 1580 CB CYS A 160 -63.689 -14.565 -15.222 1.00 32.30 C ATOM 1581 SG CYS A 160 -62.684 -16.055 -15.410 1.00 32.67 S ATOM 1582 H CYS A 160 -61.138 -13.250 -16.692 1.00 0.00 H ATOM 1583 N LEU A 161 -63.547 -10.988 -16.278 1.00 32.03 N ATOM 1584 CA LEU A 161 -64.245 -9.709 -16.155 1.00 32.04 C ATOM 1585 C LEU A 161 -64.283 -8.984 -17.503 1.00 32.13 C ATOM 1586 O LEU A 161 -64.134 -7.762 -17.566 1.00 32.26 O ATOM 1587 CB LEU A 161 -63.557 -8.831 -15.104 1.00 31.94 C ATOM 1588 CG LEU A 161 -63.499 -9.373 -13.674 1.00 31.90 C ATOM 1589 CD1 LEU A 161 -62.625 -8.477 -12.810 1.00 31.88 C ATOM 1590 CD2 LEU A 161 -64.894 -9.496 -13.082 1.00 31.85 C ATOM 1591 H LEU A 161 -62.616 -11.004 -16.740 1.00 0.00 H ATOM 1592 N ALA A 162 -64.492 -9.741 -18.578 1.00 32.25 N ATOM 1593 CA ALA A 162 -64.542 -9.172 -19.925 1.00 32.27 C ATOM 1594 C ALA A 162 -65.842 -8.401 -20.133 1.00 32.28 C ATOM 1595 O ALA A 162 -66.921 -8.891 -19.795 1.00 32.17 O ATOM 1596 CB ALA A 162 -64.403 -10.266 -20.973 1.00 32.32 C ATOM 1597 H ALA A 162 -64.623 -10.766 -18.457 1.00 0.00 H ATOM 1598 N ARG A 163 -65.719 -7.192 -20.680 1.00 32.40 N ATOM 1599 CA ARG A 163 -66.856 -6.300 -20.948 1.00 32.52 C ATOM 1600 C ARG A 163 -67.612 -5.842 -19.690 1.00 32.34 C ATOM 1601 O ARG A 163 -68.752 -5.384 -19.787 1.00 32.40 O ATOM 1602 CB ARG A 163 -67.833 -6.949 -21.944 1.00 32.77 C ATOM 1603 CG ARG A 163 -67.183 -7.453 -23.225 1.00 33.04 C ATOM 1604 CD ARG A 163 -68.177 -8.208 -24.094 1.00 33.30 C ATOM 1605 NE ARG A 163 -68.587 -9.476 -23.488 1.00 33.54 N ATOM 1606 CZ ARG A 163 -67.861 -10.595 -23.481 1.00 33.76 C ATOM 1607 NH1 ARG A 163 -68.343 -11.686 -22.895 1.00 33.83 N ATOM 1608 NH2 ARG A 163 -66.657 -10.638 -24.049 1.00 33.85 N ATOM 1609 HE ARG A 163 -69.518 -9.507 -23.026 1.00 0.00 H ATOM 1610 HH12 ARG A 163 -67.783 -12.562 -22.886 1.00 0.00 H ATOM 1611 HH11 ARG A 163 -69.281 -11.664 -22.446 1.00 0.00 H ATOM 1612 HH22 ARG A 163 -66.106 -11.520 -24.033 1.00 0.00 H ATOM 1613 HH21 ARG A 163 -66.268 -9.790 -24.508 1.00 0.00 H ATOM 1614 H ARG A 163 -64.766 -6.861 -20.931 1.00 0.00 H ATOM 1615 N GLN A 164 -66.977 -5.949 -18.522 1.00 32.19 N ATOM 1616 CA GLN A 164 -67.589 -5.525 -17.257 1.00 32.09 C ATOM 1617 C GLN A 164 -67.000 -4.217 -16.723 1.00 31.96 C ATOM 1618 O GLN A 164 -67.504 -3.668 -15.742 1.00 31.97 O ATOM 1619 CB GLN A 164 -67.442 -6.623 -16.200 1.00 32.12 C ATOM 1620 CG GLN A 164 -68.198 -7.902 -16.530 1.00 32.13 C ATOM 1621 CD GLN A 164 -68.290 -8.856 -15.352 1.00 32.22 C ATOM 1622 OE1 GLN A 164 -68.539 -8.444 -14.219 1.00 32.32 O ATOM 1623 NE2 GLN A 164 -68.099 -10.144 -15.618 1.00 32.28 N ATOM 1624 HE22 GLN A 164 -67.891 -10.449 -16.590 1.00 0.00 H ATOM 1625 HE21 GLN A 164 -68.158 -10.847 -14.854 1.00 0.00 H ATOM 1626 H GLN A 164 -66.016 -6.346 -18.507 1.00 0.00 H ATOM 1627 N TYR A 165 -65.944 -3.721 -17.365 1.00 31.91 N ATOM 1628 CA TYR A 165 -65.294 -2.482 -16.944 1.00 31.94 C ATOM 1629 C TYR A 165 -65.978 -1.269 -17.562 1.00 32.32 C ATOM 1630 O TYR A 165 -66.468 -1.330 -18.691 1.00 32.37 O ATOM 1631 CB TYR A 165 -63.815 -2.480 -17.342 1.00 31.68 C ATOM 1632 CG TYR A 165 -62.947 -3.415 -16.531 1.00 31.41 C ATOM 1633 CD1 TYR A 165 -62.944 -4.784 -16.777 1.00 31.27 C ATOM 1634 CD2 TYR A 165 -62.115 -2.927 -15.525 1.00 31.23 C ATOM 1635 CE1 TYR A 165 -62.147 -5.643 -16.041 1.00 31.10 C ATOM 1636 CE2 TYR A 165 -61.312 -3.779 -14.784 1.00 31.12 C ATOM 1637 CZ TYR A 165 -61.332 -5.136 -15.045 1.00 31.03 C ATOM 1638 OH TYR A 165 -60.537 -5.989 -14.316 1.00 30.78 O ATOM 1639 HH TYR A 165 -60.779 -5.926 -13.358 1.00 0.00 H ATOM 1640 H TYR A 165 -65.571 -4.231 -18.191 1.00 0.00 H ATOM 1641 N ARG A 166 -66.005 -0.171 -16.811 1.00 32.86 N ATOM 1642 CA ARG A 166 -66.476 1.115 -17.314 1.00 33.34 C ATOM 1643 C ARG A 166 -65.365 2.149 -17.163 1.00 33.26 C ATOM 1644 O ARG A 166 -64.621 2.131 -16.180 1.00 33.18 O ATOM 1645 CB ARG A 166 -67.717 1.581 -16.546 1.00 33.80 C ATOM 1646 CG ARG A 166 -68.971 0.744 -16.765 1.00 34.31 C ATOM 1647 CD ARG A 166 -69.431 0.737 -18.216 1.00 34.66 C ATOM 1648 NE ARG A 166 -69.039 -0.488 -18.915 1.00 35.10 N ATOM 1649 CZ ARG A 166 -69.678 -1.656 -18.831 1.00 35.45 C ATOM 1650 NH1 ARG A 166 -70.761 -1.796 -18.069 1.00 35.64 N ATOM 1651 NH2 ARG A 166 -69.226 -2.702 -19.516 1.00 35.69 N ATOM 1652 HE ARG A 166 -68.197 -0.444 -19.524 1.00 0.00 H ATOM 1653 HH12 ARG A 166 -71.245 -2.715 -18.017 1.00 0.00 H ATOM 1654 HH11 ARG A 166 -71.123 -0.986 -17.526 1.00 0.00 H ATOM 1655 HH22 ARG A 166 -69.719 -3.616 -19.455 1.00 0.00 H ATOM 1656 HH21 ARG A 166 -68.379 -2.607 -20.112 1.00 0.00 H ATOM 1657 H ARG A 166 -65.677 -0.232 -15.826 1.00 0.00 H ATOM 1658 N LEU A 167 -65.258 3.047 -18.139 1.00 33.28 N ATOM 1659 CA LEU A 167 -64.260 4.115 -18.105 1.00 33.37 C ATOM 1660 C LEU A 167 -64.654 5.165 -17.068 1.00 33.64 C ATOM 1661 O LEU A 167 -65.834 5.307 -16.741 1.00 33.64 O ATOM 1662 CB LEU A 167 -64.121 4.764 -19.485 1.00 33.22 C ATOM 1663 CG LEU A 167 -63.661 3.843 -20.621 1.00 33.08 C ATOM 1664 CD1 LEU A 167 -63.991 4.450 -21.977 1.00 33.02 C ATOM 1665 CD2 LEU A 167 -62.173 3.543 -20.510 1.00 33.01 C ATOM 1666 H LEU A 167 -65.904 2.987 -18.951 1.00 0.00 H ATOM 1667 N ILE A 168 -63.666 5.896 -16.558 1.00 34.13 N ATOM 1668 CA ILE A 168 -63.900 6.903 -15.517 1.00 34.62 C ATOM 1669 C ILE A 168 -63.120 8.189 -15.781 1.00 35.14 C ATOM 1670 O ILE A 168 -61.994 8.158 -16.277 1.00 35.34 O ATOM 1671 CB ILE A 168 -63.575 6.360 -14.106 1.00 34.61 C ATOM 1672 CG1 ILE A 168 -62.262 5.568 -14.109 1.00 34.59 C ATOM 1673 CG2 ILE A 168 -64.715 5.480 -13.615 1.00 34.55 C ATOM 1674 CD1 ILE A 168 -61.819 5.102 -12.737 1.00 34.66 C ATOM 1675 H ILE A 168 -62.698 5.749 -16.908 1.00 0.00 H ATOM 1676 N VAL A 169 -63.734 9.314 -15.420 1.00 35.84 N ATOM 1677 CA VAL A 169 -63.259 10.638 -15.820 1.00 36.38 C ATOM 1678 C VAL A 169 -62.253 11.217 -14.827 1.00 36.95 C ATOM 1679 O VAL A 169 -62.299 10.918 -13.632 1.00 36.93 O ATOM 1680 CB VAL A 169 -64.440 11.630 -15.957 1.00 36.53 C ATOM 1681 CG1 VAL A 169 -63.966 12.973 -16.506 1.00 36.60 C ATOM 1682 CG2 VAL A 169 -65.531 11.048 -16.848 1.00 36.62 C ATOM 1683 H VAL A 169 -64.587 9.248 -14.829 1.00 0.00 H ATOM 1684 N HIS A 170 -61.341 12.038 -15.346 1.00 37.52 N ATOM 1685 CA HIS A 170 -60.450 12.858 -14.531 1.00 38.06 C ATOM 1686 C HIS A 170 -60.576 14.313 -14.976 1.00 38.74 C ATOM 1687 O HIS A 170 -59.839 14.768 -15.853 1.00 38.81 O ATOM 1688 CB HIS A 170 -59.003 12.384 -14.665 1.00 37.95 C ATOM 1689 CG HIS A 170 -58.699 11.147 -13.881 1.00 37.85 C ATOM 1690 ND1 HIS A 170 -58.452 11.170 -12.526 1.00 37.85 N ATOM 1691 CD2 HIS A 170 -58.600 9.851 -14.261 1.00 37.80 C ATOM 1692 CE1 HIS A 170 -58.215 9.941 -12.104 1.00 37.77 C ATOM 1693 NE2 HIS A 170 -58.299 9.122 -13.136 1.00 37.73 N ATOM 1694 H HIS A 170 -61.260 12.097 -16.381 1.00 0.00 H ATOM 1695 N ASN A 171 -61.517 15.030 -14.366 1.00 39.56 N ATOM 1696 CA ASN A 171 -61.830 16.410 -14.756 1.00 40.18 C ATOM 1697 C ASN A 171 -61.522 17.442 -13.664 1.00 40.84 C ATOM 1698 O ASN A 171 -62.033 18.563 -13.697 1.00 40.98 O ATOM 1699 CB ASN A 171 -63.297 16.516 -15.209 1.00 40.11 C ATOM 1700 CG ASN A 171 -64.281 16.002 -14.169 1.00 40.11 C ATOM 1701 OD1 ASN A 171 -63.919 15.734 -13.022 1.00 39.88 O ATOM 1702 ND2 ASN A 171 -65.538 15.857 -14.572 1.00 40.05 N ATOM 1703 HD22 ASN A 171 -65.801 16.095 -15.550 1.00 0.00 H ATOM 1704 HD21 ASN A 171 -66.259 15.505 -13.910 1.00 0.00 H ATOM 1705 H ASN A 171 -62.050 14.597 -13.585 1.00 0.00 H ATOM 1706 N GLY A 172 -60.677 17.062 -12.707 1.00 41.61 N ATOM 1707 CA GLY A 172 -60.262 17.962 -11.633 1.00 42.25 C ATOM 1708 C GLY A 172 -61.376 18.371 -10.685 1.00 42.83 C ATOM 1709 O GLY A 172 -61.357 19.479 -10.146 1.00 43.08 O ATOM 1710 H GLY A 172 -60.300 16.093 -12.725 1.00 0.00 H ATOM 1711 N TYR A 173 -62.346 17.481 -10.479 1.00 43.43 N ATOM 1712 CA TYR A 173 -63.450 17.743 -9.556 1.00 43.89 C ATOM 1713 C TYR A 173 -62.932 17.820 -8.122 1.00 44.04 C ATOM 1714 O TYR A 173 -63.365 18.673 -7.345 1.00 44.34 O ATOM 1715 CB TYR A 173 -64.523 16.657 -9.670 1.00 44.21 C ATOM 1716 CG TYR A 173 -65.797 16.972 -8.917 1.00 44.52 C ATOM 1717 CD1 TYR A 173 -66.760 17.815 -9.464 1.00 44.65 C ATOM 1718 CD2 TYR A 173 -66.039 16.428 -7.658 1.00 44.67 C ATOM 1719 CE1 TYR A 173 -67.928 18.108 -8.780 1.00 44.76 C ATOM 1720 CE2 TYR A 173 -67.206 16.714 -6.966 1.00 44.82 C ATOM 1721 CZ TYR A 173 -68.146 17.555 -7.531 1.00 44.86 C ATOM 1722 OH TYR A 173 -69.306 17.843 -6.848 1.00 44.97 O ATOM 1723 HH TYR A 173 -69.804 17.005 -6.677 1.00 0.00 H ATOM 1724 H TYR A 173 -62.317 16.575 -10.989 1.00 0.00 H ATOM 1725 N CYS A 174 -62.005 16.925 -7.788 1.00 44.10 N ATOM 1726 CA CYS A 174 -61.317 16.946 -6.500 1.00 44.24 C ATOM 1727 C CYS A 174 -59.926 17.561 -6.675 1.00 45.06 C ATOM 1728 O CYS A 174 -58.914 16.941 -6.341 1.00 45.16 O ATOM 1729 CB CYS A 174 -61.215 15.527 -5.932 1.00 43.63 C ATOM 1730 SG CYS A 174 -62.797 14.658 -5.806 1.00 42.95 S ATOM 1731 H CYS A 174 -61.761 16.181 -8.472 1.00 0.00 H ATOM 1732 N ASP A 175 -59.899 18.788 -7.198 1.00 45.85 N ATOM 1733 CA ASP A 175 -58.659 19.509 -7.515 1.00 46.34 C ATOM 1734 C ASP A 175 -57.783 18.746 -8.512 1.00 46.54 C ATOM 1735 O ASP A 175 -56.863 18.023 -8.130 1.00 46.98 O ATOM 1736 CB ASP A 175 -57.869 19.842 -6.240 1.00 46.55 C ATOM 1737 CG ASP A 175 -58.647 20.730 -5.282 1.00 46.77 C ATOM 1738 OD1 ASP A 175 -59.860 20.939 -5.498 1.00 47.02 O ATOM 1739 OD2 ASP A 175 -58.041 21.221 -4.306 1.00 46.98 O ATOM 1740 H ASP A 175 -60.805 19.260 -7.392 1.00 0.00 H TER 1741 ASP A 175 HETATM 1742 O HOH 1 -63.662 -12.981 -19.538 1.00 41.68 O HETATM 1743 O HOH 2 -67.211 3.015 -20.131 1.00 21.77 O HETATM 1744 O HOH 3 -66.833 -0.446 -0.963 1.00 25.99 O HETATM 1745 O HOH 4 -63.612 -4.175 5.444 1.00 24.60 O HETATM 1746 O HOH 5 -68.503 -4.709 -1.893 1.00 27.15 O HETATM 1747 O HOH 6 -64.144 -21.972 -12.836 1.00 31.50 O HETATM 1748 O HOH 7 -63.989 -15.188 -10.393 1.00 30.60 O HETATM 1749 O HOH 8 -62.930 -12.455 -10.835 1.00 28.47 O HETATM 1750 O HOH 9 -65.749 -11.461 -10.320 1.00 30.15 O HETATM 1751 O HOH 10 -60.407 -19.857 -5.170 1.00 32.47 O HETATM 1752 O HOH 11 -60.153 -22.802 -5.659 1.00 34.69 O HETATM 1753 O HOH 12 -56.351 -23.001 -8.168 1.00 32.93 O HETATM 1754 O HOH 13 -45.553 -11.157 -14.130 1.00 33.10 O HETATM 1755 O HOH 14 -42.856 -13.510 -7.632 1.00 37.86 O HETATM 1756 O HOH 15 -45.843 -12.984 -7.602 1.00 33.97 O HETATM 1757 O HOH 16 -61.447 -1.118 -20.079 1.00 28.28 O HETATM 1758 O HOH 17 -72.290 -1.004 -7.277 1.00 34.60 O HETATM 1759 O HOH 18 -72.895 -0.392 0.156 1.00 36.22 O HETATM 1760 O HOH 19 -71.219 3.518 -5.657 1.00 24.39 O HETATM 1761 O HOH 20 -48.107 7.697 -0.413 1.00 31.97 O HETATM 1762 O HOH 21 -44.679 3.553 3.242 1.00 35.04 O HETATM 1763 O HOH 22 -46.004 -3.498 1.883 1.00 34.54 O HETATM 1764 O HOH 23 -55.122 10.665 2.062 1.00 34.45 O HETATM 1765 O HOH 24 -75.965 4.946 -0.800 1.00 54.11 O HETATM 1766 O HOH 25 -54.194 -10.892 -0.630 1.00 30.01 O HETATM 1767 O HOH 26 -50.925 -14.209 -0.382 1.00 39.04 O HETATM 1768 O HOH 27 -46.499 -9.120 -0.351 1.00 31.92 O HETATM 1769 O HOH 28 -50.255 -16.826 -4.682 1.00 30.85 O HETATM 1770 O HOH 29 -48.694 -15.688 -10.758 1.00 31.54 O HETATM 1771 O HOH 30 -58.283 -10.952 -4.127 1.00 36.62 O HETATM 1772 O HOH 31 -60.772 -8.067 -0.528 1.00 28.85 O HETATM 1773 O HOH 32 -57.524 -3.404 -2.921 1.00 23.00 O HETATM 1774 O HOH 33 -65.841 16.876 -0.595 1.00 22.31 O HETATM 1775 O HOH 34 -64.933 -18.480 2.270 1.00 36.54 O HETATM 1776 O HOH 35 -68.970 -8.864 -0.157 1.00 34.18 O HETATM 1777 O HOH 36 -68.486 -5.163 1.053 1.00 37.51 O HETATM 1778 O HOH 37 -70.555 -21.669 -6.501 1.00 25.82 O HETATM 1779 O HOH 38 -71.583 -20.051 -4.196 1.00 24.52 O HETATM 1780 O HOH 39 -72.736 -15.263 -5.617 1.00 29.27 O HETATM 1781 O HOH 40 -49.601 5.624 -19.610 1.00 28.29 O HETATM 1782 O HOH 41 -47.803 9.285 -12.830 1.00 31.09 O HETATM 1783 O HOH 42 -45.202 9.703 -9.722 1.00 29.15 O HETATM 1784 O HOH 43 -46.705 0.304 -27.176 1.00 38.57 O HETATM 1785 O HOH 44 -57.255 -1.798 -23.351 1.00 40.19 O HETATM 1786 O HOH 45 -55.472 -8.392 -26.116 1.00 38.55 O HETATM 1787 O HOH 46 -67.235 -11.246 -18.001 1.00 32.76 O HETATM 1788 O HOH 47 -70.675 6.514 -5.314 1.00 34.84 O HETATM 1789 O HOH 48 -61.080 8.307 -12.567 1.00 35.29 O HETATM 1790 O HOH 49 -44.958 8.826 -3.312 1.00 34.27 O HETATM 1791 O HOH 50 -43.279 -7.255 -2.563 1.00 37.12 O HETATM 1792 O HOH 51 -53.459 3.154 -29.495 1.00 27.82 O HETATM 1793 O HOH 52 -45.881 -5.565 -18.674 1.00 28.32 O HETATM 1794 O HOH 53 -54.227 -16.622 -7.120 1.00 27.71 O HETATM 1795 O HOH 54 -62.049 -18.694 2.196 1.00 39.19 O HETATM 1796 O HOH 55 -68.533 5.358 -18.081 1.00 41.72 O HETATM 1797 O HOH 56 -58.810 -7.995 3.782 1.00 30.78 O HETATM 1798 O HOH 57 -56.643 13.935 -22.848 1.00 32.07 O HETATM 1799 O HOH 58 -60.769 -2.884 9.408 1.00 43.38 O HETATM 1800 O HOH 59 -51.966 -3.454 6.226 1.00 33.83 O HETATM 1801 O HOH 60 -53.852 -15.955 -2.484 1.00 24.59 O HETATM 1802 O HOH 61 -48.792 6.515 2.233 1.00 38.85 O HETATM 1803 O HOH 62 -45.588 11.824 -7.585 1.00 41.79 O HETATM 1804 O HOH 63 -40.861 -5.114 -3.446 1.00 38.03 O HETATM 1805 O HOH 64 -41.293 -6.239 -14.758 1.00 38.13 O HETATM 1806 O HOH 65 -67.281 -18.555 0.725 1.00 28.71 O HETATM 1807 O HOH 66 -71.341 -4.463 -9.238 1.00 48.39 O HETATM 1808 O HOH 67 -38.973 4.915 -5.711 1.00 35.65 O HETATM 1809 O HOH 68 -59.962 -2.780 -22.390 1.00 32.75 O HETATM 1810 O HOH 69 -72.345 -10.787 -3.064 1.00 41.25 O HETATM 1811 O HOH 70 -37.631 -4.745 -10.536 1.00 32.51 O HETATM 1812 O HOH 71 -42.566 -0.111 -20.460 1.00 38.22 O HETATM 1813 O HOH 72 -38.594 -7.178 -7.448 1.00 36.09 O HETATM 1814 O HOH 73 -46.518 -8.489 -18.941 1.00 34.89 O HETATM 1815 O HOH 74 -63.616 -3.219 2.608 1.00 29.13 O HETATM 1816 O HOH 75 -64.095 -0.659 -21.425 1.00 41.23 O HETATM 1817 O HOH 76 -66.043 -15.601 -12.484 1.00 34.28 O HETATM 1818 O HOH 77 -67.512 -13.701 -14.194 1.00 40.00 O HETATM 1819 O HOH 78 -68.457 -15.536 -10.713 1.00 30.28 O HETATM 1820 O HOH 79 -52.829 -19.239 -5.355 1.00 43.84 O HETATM 1821 O HOH 80 -56.364 -17.258 -3.691 1.00 36.91 O HETATM 1822 O HOH 81 -51.289 -16.245 -7.661 1.00 34.99 O HETATM 1823 O HOH 82 -45.810 -6.055 5.789 1.00 36.98 O HETATM 1824 O HOH 83 -39.183 1.469 -12.788 1.00 35.76 O HETATM 1825 O HOH 84 -43.318 6.573 -13.574 1.00 51.85 O HETATM 1826 O HOH 85 -43.807 7.363 -16.434 1.00 41.21 O HETATM 1827 O HOH 86 -42.953 8.475 -5.540 1.00 39.39 O HETATM 1828 O HOH 87 -69.721 4.281 -11.463 1.00 38.17 O HETATM 1829 O HOH 88 -66.972 8.537 -14.708 1.00 40.44 O HETATM 1830 O HOH 89 -68.196 6.214 -13.204 1.00 38.24 O HETATM 1831 O HOH 90 -58.849 16.100 2.892 1.00 43.60 O HETATM 1832 O HOH 91 -70.477 -6.207 -13.582 1.00 39.93 O HETATM 1833 O HOH 92 -69.176 -11.609 -12.827 1.00 36.22 O HETATM 1834 O HOH 93 -40.948 -6.925 -11.730 1.00 33.66 O HETATM 1835 O HOH 94 -46.989 13.565 -9.639 1.00 43.15 O HETATM 1836 O HOH 95 -47.155 12.176 -12.258 1.00 36.10 O HETATM 1837 O HOH 96 -69.577 -1.701 -1.120 1.00 30.42 O HETATM 1838 O HOH 97 -53.193 12.233 3.654 1.00 40.33 O HETATM 1839 O HOH 98 -63.658 -7.248 2.316 1.00 32.28 O HETATM 1840 O HOH 99 -65.743 -15.870 0.769 1.00 29.62 O HETATM 1841 O HOH 100 -63.059 -15.965 1.850 1.00 32.41 O HETATM 1842 O HOH 101 -57.493 0.001 -25.896 1.00 33.50 O HETATM 1843 O HOH 102 -50.301 -8.863 -24.557 1.00 44.09 O HETATM 1844 O HOH 103 -47.172 -15.615 -8.212 1.00 39.29 O HETATM 1845 O HOH 104 -50.022 -16.723 -1.737 1.00 39.08 O HETATM 1846 O HOH 105 -48.649 -15.233 3.510 1.00 43.86 O HETATM 1847 O HOH 106 -47.238 6.895 -20.939 1.00 40.70 O HETATM 1848 O HOH 107 -72.009 -19.850 -8.415 1.00 35.35 O HETATM 1849 O HOH 108 -53.372 -22.618 -8.188 1.00 37.32 O HETATM 1850 O HOH 109 -41.062 -3.582 -16.138 1.00 41.72 O HETATM 1851 F1 UNN A 110 -65.435 3.300 -2.254 1.00 -0.23 F HETATM 1852 C22 UNN A 110 -66.105 4.022 -1.374 1.00 0.37 C HETATM 1853 F2 UNN A 110 -67.244 4.405 -1.921 1.00 -0.23 F HETATM 1854 F3 UNN A 110 -65.408 5.101 -1.068 1.00 -0.23 F HETATM 1855 C21 UNN A 110 -66.352 3.206 -0.128 1.00 0.05 C HETATM 1856 C20 UNN A 110 -67.666 3.040 0.326 1.00 -0.04 C HETATM 1857 C19 UNN A 110 -67.936 2.297 1.471 1.00 -0.04 C HETATM 1858 C18 UNN A 110 -66.895 1.710 2.178 1.00 -0.04 C HETATM 1859 C17 UNN A 110 -65.586 1.870 1.735 1.00 -0.03 C HETATM 1860 C16 UNN A 110 -65.304 2.612 0.587 1.00 0.01 C HETATM 1861 C9 UNN A 110 -63.843 2.727 0.184 1.00 0.09 C HETATM 1862 C8 UNN A 110 -63.346 1.438 -0.447 1.00 0.20 C HETATM 1863 O1 UNN A 110 -64.120 0.501 -0.563 1.00 -0.39 O HETATM 1864 N4 UNN A 110 -62.070 1.359 -0.865 1.00 -0.27 N HETATM 1865 C15 UNN A 110 -61.578 0.100 -1.454 1.00 0.05 C HETATM 1866 C7 UNN A 110 -60.570 0.343 -2.576 1.00 0.05 C HETATM 1867 N3 UNN A 110 -59.552 1.299 -2.115 1.00 -0.28 N HETATM 1868 C5 UNN A 110 -60.254 2.581 -1.966 1.00 0.05 C HETATM 1869 C6 UNN A 110 -61.120 2.474 -0.717 1.00 0.05 C HETATM 1870 H UNN A 110 -60.478 2.294 0.158 1.00 0.05 H HETATM 1871 H UNN A 110 -61.677 3.412 -0.577 1.00 0.05 H HETATM 1872 H UNN A 110 -59.527 3.398 -1.852 1.00 0.05 H HETATM 1873 H UNN A 110 -60.884 2.771 -2.847 1.00 0.05 H HETATM 1874 C1 UNN A 110 -58.441 1.387 -2.986 1.00 0.12 C HETATM 1875 C3 UNN A 110 -57.260 1.985 -2.548 1.00 0.04 C HETATM 1876 C4 UNN A 110 -56.167 2.051 -3.429 1.00 0.10 C HETATM 1877 N2 UNN A 110 -56.279 1.531 -4.677 1.00 -0.28 N HETATM 1878 C2 UNN A 110 -57.426 0.955 -5.070 1.00 0.05 C HETATM 1879 N1 UNN A 110 -58.485 0.881 -4.246 1.00 -0.27 N HETATM 1880 H UNN A 110 -57.499 0.542 -6.070 1.00 0.10 H HETATM 1881 S1 UNN A 110 -54.721 2.783 -2.914 1.00 -0.02 S HETATM 1882 C11 UNN A 110 -55.515 3.069 -1.404 1.00 0.02 C HETATM 1883 C10 UNN A 110 -56.874 2.591 -1.348 1.00 -0.04 C HETATM 1884 C14 UNN A 110 -57.444 2.897 0.007 1.00 -0.03 C HETATM 1885 C13 UNN A 110 -56.264 3.615 0.721 1.00 -0.04 C HETATM 1886 C12 UNN A 110 -55.000 3.732 -0.172 1.00 -0.01 C HETATM 1887 H UNN A 110 -54.721 4.780 -0.355 1.00 0.04 H HETATM 1888 H UNN A 110 -54.142 3.194 0.257 1.00 0.04 H HETATM 1889 H UNN A 110 -56.589 4.627 1.004 1.00 0.03 H HETATM 1890 H UNN A 110 -56.003 3.047 1.626 1.00 0.03 H HETATM 1891 H UNN A 110 -57.725 1.975 0.536 1.00 0.04 H HETATM 1892 H UNN A 110 -58.321 3.557 -0.071 1.00 0.04 H HETATM 1893 H UNN A 110 -61.089 0.754 -3.454 1.00 0.05 H HETATM 1894 H UNN A 110 -60.086 -0.607 -2.848 1.00 0.05 H HETATM 1895 H UNN A 110 -62.434 -0.459 -1.861 1.00 0.05 H HETATM 1896 H UNN A 110 -61.094 -0.495 -0.665 1.00 0.05 H HETATM 1897 H UNN A 110 -63.240 2.945 1.078 1.00 0.07 H HETATM 1898 H UNN A 110 -63.734 3.547 -0.541 1.00 0.07 H HETATM 1899 H UNN A 110 -64.774 1.412 2.289 1.00 0.06 H HETATM 1900 H UNN A 110 -67.101 1.130 3.070 1.00 0.08 H HETATM 1901 H UNN A 110 -68.958 2.176 1.811 1.00 0.07 H HETATM 1902 H UNN A 110 -68.483 3.496 -0.221 1.00 0.08 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 44 43 1581 CONECT 701 700 1730 CONECT 1187 1186 1272 CONECT 1272 1187 1271 CONECT 1581 44 1580 CONECT 1730 701 1729 CONECT 1851 1852 CONECT 1852 1851 1853 1854 1855 CONECT 1853 1852 CONECT 1854 1852 CONECT 1855 1852 1856 1860 CONECT 1856 1855 1857 1902 CONECT 1857 1856 1858 1901 CONECT 1858 1857 1859 1900 CONECT 1859 1858 1860 1899 CONECT 1860 1855 1859 1861 CONECT 1861 1860 1862 1897 1898 CONECT 1862 1861 1863 1864 CONECT 1863 1862 CONECT 1864 1862 1865 1869 CONECT 1865 1864 1866 1895 1896 CONECT 1866 1865 1867 1893 1894 CONECT 1867 1866 1868 1874 CONECT 1868 1867 1869 1872 1873 CONECT 1869 1864 1868 1870 1871 CONECT 1870 1869 CONECT 1871 1869 CONECT 1872 1868 CONECT 1873 1868 CONECT 1874 1867 1875 1879 CONECT 1875 1874 1876 1883 CONECT 1876 1875 1877 1881 CONECT 1877 1876 1878 CONECT 1878 1877 1879 1880 CONECT 1879 1874 1878 CONECT 1880 1878 CONECT 1881 1876 1882 CONECT 1882 1881 1883 1886 CONECT 1883 1875 1882 1884 CONECT 1884 1883 1885 1891 1892 CONECT 1885 1884 1886 1889 1890 CONECT 1886 1882 1885 1887 1888 CONECT 1887 1886 CONECT 1888 1886 CONECT 1889 1885 CONECT 1890 1885 CONECT 1891 1884 CONECT 1892 1884 CONECT 1893 1866 CONECT 1894 1866 CONECT 1895 1865 CONECT 1896 1865 CONECT 1897 1861 CONECT 1898 1861 CONECT 1899 1859 CONECT 1900 1858 CONECT 1901 1857 CONECT 1902 1856 MASTER 0 0 0 0 0 0 0 0 1901 1 62 14 END
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Structure:
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Protein
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Related entries of code: 4o9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1erb
RCSB PDB
PDBbind
183aa, >1ERB_1|Chain... at 92%
1rbp
RCSB PDB
PDBbind
182aa, >1RBP_1|Chain... at 100%
3fmz
RCSB PDB
PDBbind
212aa, >3FMZ_1|Chains... at 100%
4psq
RCSB PDB
PDBbind
212aa, >4PSQ_1|Chains... 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
4o9s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinol-binding protein 4 RBP4
Ligand Name
2RY
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.28uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2885-2891
Ligand Properties
Formula
C
2
2
H
2
1
F
3
N
4
OS
Molecular Weight
446.489
Exact Mass
446.139
No. of atoms
52
No. of bonds
56
Polar Surface Area
77.57
LOGP Value
4.45 (
Computed with XLOGP3
)
4.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
O=C(N1CCN(CC1)c1ncnc2c1c1CCCc1s2)Cc1ccccc1C(F)(F)F
InChI String
InChI=1S/C22H21F3N4OS/c23-22(24,25)16-6-2-1-4-14(16)12-18(30)28-8-10-29(11-9-28)20-19-15-5-3-7-17(15)31-21(19)27-13-26-20/h1-2,4,6,13H,3,5,7-12H2
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):
P02753
Entrez Gene ID
NCBI Entrez Gene ID:
5950
ASD
Information of known allosteric effects of PDB entries
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