Browse entries in the PDBbind-CN Database
HEADER 5X74_COMPLEX COMPND 5X74_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 MET SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG SEQRES 2 A 150 GLY PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU SEQRES 3 A 150 THR GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER SEQRES 4 A 150 VAL PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS SEQRES 5 A 150 ILE LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SEQRES 6 A 150 SER SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN SEQRES 7 A 150 LYS VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE SEQRES 8 A 150 PHE GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR SEQRES 9 A 150 TRP GLN SER LEU ILE SER ALA ALA PRO GLU SER GLN MET SEQRES 10 A 150 MET PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE GLU SEQRES 11 A 150 THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SER SEQRES 12 A 150 ARG VAL ARG LEU PHE TYR VAL HET JAY A 190 78 ATOM 1 N MET A 1 28.562 -46.326 6.253 1.00 61.49 N ATOM 2 CA MET A 1 29.257 -45.147 5.614 1.00 55.29 C ATOM 3 C MET A 1 29.143 -45.151 4.078 1.00 50.51 C ATOM 4 O MET A 1 29.894 -45.836 3.358 1.00 52.86 O ATOM 5 CB MET A 1 30.726 -45.084 6.071 1.00 62.80 C ATOM 6 CG MET A 1 31.403 -43.717 5.895 1.00 64.80 C ATOM 7 SD MET A 1 30.604 -42.373 6.826 1.00 73.44 S ATOM 8 CE MET A 1 31.418 -40.935 6.106 1.00 60.33 C ATOM 9 HN3 MET A 1 28.987 -47.209 5.904 1.00 0.00 H ATOM 10 HN2 MET A 1 27.552 -46.306 6.008 1.00 0.00 H ATOM 11 HN1 MET A 1 28.671 -46.273 7.286 1.00 0.00 H ATOM 12 N SER A 2 28.167 -44.392 3.581 1.00 49.22 N ATOM 13 CA SER A 2 27.915 -44.276 2.146 1.00 44.81 C ATOM 14 C SER A 2 28.692 -43.099 1.535 1.00 43.69 C ATOM 15 O SER A 2 29.193 -42.203 2.236 1.00 39.27 O ATOM 16 CB SER A 2 26.432 -44.017 1.901 1.00 46.77 C ATOM 17 OG SER A 2 26.068 -42.680 2.242 1.00 47.34 O ATOM 18 HG SER A 2 26.259 -42.521 3.200 1.00 0.00 H ATOM 19 H SER A 2 27.561 -43.862 4.240 1.00 0.00 H ATOM 20 N ALA A 3 28.721 -43.088 0.224 1.00 37.71 N ATOM 21 CA ALA A 3 29.341 -42.034 -0.533 1.00 40.24 C ATOM 22 C ALA A 3 28.740 -40.625 -0.255 1.00 47.83 C ATOM 23 O ALA A 3 29.484 -39.617 -0.174 1.00 39.82 O ATOM 24 CB ALA A 3 29.257 -42.361 -2.014 1.00 36.77 C ATOM 25 H ALA A 3 28.277 -43.875 -0.290 1.00 0.00 H ATOM 26 N LYS A 4 27.412 -40.590 -0.144 1.00 44.57 N ATOM 27 CA LYS A 4 26.672 -39.434 0.272 1.00 47.77 C ATOM 28 C LYS A 4 27.048 -38.899 1.656 1.00 42.50 C ATOM 29 O LYS A 4 27.168 -37.673 1.799 1.00 34.95 O ATOM 30 CB LYS A 4 25.160 -39.706 0.198 1.00 51.54 C ATOM 31 CG LYS A 4 24.732 -39.638 -1.249 1.00 57.10 C ATOM 32 CD LYS A 4 23.230 -39.730 -1.494 1.00 64.95 C ATOM 33 CE LYS A 4 23.003 -39.996 -2.984 1.00 73.17 C ATOM 34 NZ LYS A 4 21.676 -39.520 -3.455 1.00 81.43 N ATOM 35 HZ1 LYS A 4 20.926 -40.008 -2.925 1.00 0.00 H ATOM 36 HZ2 LYS A 4 21.601 -38.495 -3.298 1.00 0.00 H ATOM 37 HZ3 LYS A 4 21.576 -39.725 -4.470 1.00 0.00 H ATOM 38 H LYS A 4 26.880 -41.454 -0.373 1.00 0.00 H ATOM 39 N ASP A 5 27.245 -39.798 2.628 1.00 35.58 N ATOM 40 CA ASP A 5 27.752 -39.462 3.933 1.00 33.76 C ATOM 41 C ASP A 5 29.138 -38.732 3.864 1.00 37.04 C ATOM 42 O ASP A 5 29.392 -37.738 4.600 1.00 31.61 O ATOM 43 CB ASP A 5 27.912 -40.695 4.825 1.00 42.16 C ATOM 44 CG ASP A 5 26.529 -41.399 5.213 1.00 51.77 C ATOM 45 OD1 ASP A 5 25.523 -40.714 5.214 1.00 51.22 O ATOM 46 OD2 ASP A 5 26.467 -42.633 5.521 1.00 58.47 O ATOM 47 H ASP A 5 27.019 -40.794 2.430 1.00 0.00 H ATOM 48 N GLU A 6 30.023 -39.296 3.061 1.00 33.67 N ATOM 49 CA GLU A 6 31.389 -38.827 2.924 1.00 38.52 C ATOM 50 C GLU A 6 31.337 -37.423 2.296 1.00 35.63 C ATOM 51 O GLU A 6 32.028 -36.571 2.713 1.00 27.08 O ATOM 52 CB GLU A 6 32.160 -39.802 2.058 1.00 40.81 C ATOM 53 CG GLU A 6 33.543 -39.343 1.650 1.00 46.23 C ATOM 54 CD GLU A 6 34.463 -39.100 2.834 1.00 56.47 C ATOM 55 OE1 GLU A 6 34.263 -39.792 3.848 1.00 52.13 O ATOM 56 OE2 GLU A 6 35.377 -38.232 2.737 1.00 63.52 O ATOM 57 H GLU A 6 29.725 -40.118 2.498 1.00 0.00 H ATOM 58 N ARG A 7 30.452 -37.222 1.327 1.00 31.22 N ATOM 59 CA ARG A 7 30.315 -35.959 0.627 1.00 33.54 C ATOM 60 C ARG A 7 29.753 -34.888 1.591 1.00 30.89 C ATOM 61 O ARG A 7 30.299 -33.766 1.638 1.00 25.62 O ATOM 62 CB ARG A 7 29.471 -36.157 -0.660 1.00 35.67 C ATOM 63 CG ARG A 7 29.138 -34.907 -1.450 1.00 39.61 C ATOM 64 CD ARG A 7 30.414 -34.412 -2.074 1.00 42.65 C ATOM 65 NE ARG A 7 30.287 -33.102 -2.727 1.00 47.64 N ATOM 66 CZ ARG A 7 31.257 -32.164 -2.784 1.00 43.41 C ATOM 67 NH1 ARG A 7 32.471 -32.323 -2.174 1.00 31.52 N ATOM 68 NH2 ARG A 7 31.009 -31.043 -3.462 1.00 38.34 N ATOM 69 HE ARG A 7 29.378 -32.879 -3.181 1.00 0.00 H ATOM 70 HH12 ARG A 7 33.190 -31.575 -2.243 1.00 0.00 H ATOM 71 HH11 ARG A 7 32.675 -33.192 -1.641 1.00 0.00 H ATOM 72 HH22 ARG A 7 31.736 -30.302 -3.524 1.00 0.00 H ATOM 73 HH21 ARG A 7 30.089 -30.910 -3.928 1.00 0.00 H ATOM 74 H ARG A 7 29.827 -38.008 1.057 1.00 0.00 H ATOM 75 N ALA A 8 28.715 -35.236 2.368 1.00 27.71 N ATOM 76 CA ALA A 8 28.196 -34.357 3.385 1.00 28.85 C ATOM 77 C ALA A 8 29.315 -33.862 4.312 1.00 29.06 C ATOM 78 O ALA A 8 29.390 -32.683 4.650 1.00 29.64 O ATOM 79 CB ALA A 8 27.146 -35.015 4.219 1.00 30.14 C ATOM 80 H ALA A 8 28.273 -36.167 2.232 1.00 0.00 H ATOM 81 N ARG A 9 30.205 -34.752 4.674 1.00 25.74 N ATOM 82 CA ARG A 9 31.269 -34.392 5.622 1.00 27.57 C ATOM 83 C ARG A 9 32.308 -33.470 4.991 1.00 25.03 C ATOM 84 O ARG A 9 32.894 -32.628 5.674 1.00 23.96 O ATOM 85 CB ARG A 9 31.964 -35.647 6.126 1.00 30.24 C ATOM 86 CG ARG A 9 31.068 -36.404 7.103 1.00 38.51 C ATOM 87 CD ARG A 9 31.791 -37.603 7.675 1.00 40.42 C ATOM 88 NE ARG A 9 30.944 -38.332 8.587 1.00 50.85 N ATOM 89 CZ ARG A 9 31.373 -39.326 9.377 1.00 52.16 C ATOM 90 NH1 ARG A 9 32.667 -39.731 9.364 1.00 47.14 N ATOM 91 NH2 ARG A 9 30.500 -39.912 10.178 1.00 46.85 N ATOM 92 HE ARG A 9 29.939 -38.070 8.634 1.00 0.00 H ATOM 93 HH12 ARG A 9 32.976 -40.505 9.986 1.00 0.00 H ATOM 94 HH11 ARG A 9 33.351 -39.268 8.732 1.00 0.00 H ATOM 95 HH22 ARG A 9 30.805 -40.686 10.802 1.00 0.00 H ATOM 96 HH21 ARG A 9 29.508 -39.599 10.184 1.00 0.00 H ATOM 97 H ARG A 9 30.159 -35.717 4.289 1.00 0.00 H ATOM 98 N GLU A 10 32.551 -33.690 3.704 1.00 26.69 N ATOM 99 CA GLU A 10 33.485 -32.883 2.962 1.00 28.89 C ATOM 100 C GLU A 10 32.992 -31.443 2.864 1.00 27.41 C ATOM 101 O GLU A 10 33.757 -30.506 3.016 1.00 22.67 O ATOM 102 CB GLU A 10 33.695 -33.465 1.577 1.00 34.14 C ATOM 103 CG GLU A 10 34.911 -34.367 1.589 1.00 40.37 C ATOM 104 CD GLU A 10 36.130 -33.610 2.070 1.00 40.86 C ATOM 105 OE1 GLU A 10 36.768 -33.997 3.085 1.00 39.21 O ATOM 106 OE2 GLU A 10 36.402 -32.576 1.416 1.00 48.09 O ATOM 107 H GLU A 10 32.054 -34.465 3.220 1.00 0.00 H ATOM 108 N ILE A 11 31.695 -31.291 2.612 1.00 24.70 N ATOM 109 CA ILE A 11 31.072 -29.995 2.487 1.00 26.05 C ATOM 110 C ILE A 11 31.157 -29.331 3.814 1.00 22.43 C ATOM 111 O ILE A 11 31.533 -28.203 3.901 1.00 28.23 O ATOM 112 CB ILE A 11 29.581 -30.115 2.001 1.00 26.51 C ATOM 113 CG1 ILE A 11 29.552 -30.717 0.612 1.00 24.85 C ATOM 114 CG2 ILE A 11 28.864 -28.733 1.960 1.00 28.78 C ATOM 115 CD1 ILE A 11 28.178 -31.005 0.021 1.00 25.39 C ATOM 116 H ILE A 11 31.106 -32.141 2.500 1.00 0.00 H ATOM 117 N LEU A 12 30.730 -30.018 4.870 1.00 27.81 N ATOM 118 CA LEU A 12 30.781 -29.445 6.184 1.00 26.43 C ATOM 119 C LEU A 12 32.219 -28.953 6.513 1.00 25.69 C ATOM 120 O LEU A 12 32.424 -27.790 6.881 1.00 26.43 O ATOM 121 CB LEU A 12 30.308 -30.409 7.199 1.00 27.98 C ATOM 122 CG LEU A 12 30.509 -29.934 8.654 1.00 29.81 C ATOM 123 CD1 LEU A 12 29.711 -28.647 8.909 1.00 30.90 C ATOM 124 CD2 LEU A 12 30.060 -31.062 9.601 1.00 29.64 C ATOM 125 H LEU A 12 30.356 -30.980 4.742 1.00 0.00 H ATOM 126 N ARG A 13 33.189 -29.813 6.294 1.00 25.44 N ATOM 127 CA ARG A 13 34.598 -29.450 6.448 1.00 25.48 C ATOM 128 C ARG A 13 34.997 -28.149 5.740 1.00 25.66 C ATOM 129 O ARG A 13 35.773 -27.375 6.286 1.00 24.40 O ATOM 130 CB ARG A 13 35.521 -30.565 5.983 1.00 25.97 C ATOM 131 CG ARG A 13 36.993 -30.268 6.238 1.00 27.14 C ATOM 132 CD ARG A 13 37.832 -31.474 5.811 1.00 29.21 C ATOM 133 NE ARG A 13 39.203 -30.968 5.765 1.00 31.26 N ATOM 134 CZ ARG A 13 39.960 -30.800 6.842 1.00 25.61 C ATOM 135 NH1 ARG A 13 39.545 -31.184 8.032 1.00 25.45 N ATOM 136 NH2 ARG A 13 41.147 -30.326 6.725 1.00 26.91 N ATOM 137 HE ARG A 13 39.607 -30.727 4.838 1.00 0.00 H ATOM 138 HH12 ARG A 13 40.152 -31.044 8.865 1.00 0.00 H ATOM 139 HH11 ARG A 13 38.610 -31.627 8.139 1.00 0.00 H ATOM 140 HH22 ARG A 13 41.740 -30.194 7.569 1.00 0.00 H ATOM 141 HH21 ARG A 13 41.516 -30.073 5.786 1.00 0.00 H ATOM 142 H ARG A 13 32.947 -30.782 6.002 1.00 0.00 H ATOM 143 N GLY A 14 34.492 -27.910 4.545 1.00 23.89 N ATOM 144 CA GLY A 14 34.909 -26.715 3.807 1.00 25.70 C ATOM 145 C GLY A 14 34.000 -25.507 4.036 1.00 26.68 C ATOM 146 O GLY A 14 34.135 -24.492 3.373 1.00 26.88 O ATOM 147 H GLY A 14 33.801 -28.567 4.129 1.00 0.00 H ATOM 148 N PHE A 15 33.006 -25.638 4.888 1.00 27.03 N ATOM 149 CA PHE A 15 32.032 -24.577 5.013 1.00 26.79 C ATOM 150 C PHE A 15 32.325 -23.674 6.203 1.00 28.99 C ATOM 151 O PHE A 15 32.819 -24.102 7.242 1.00 26.13 O ATOM 152 CB PHE A 15 30.635 -25.167 5.107 1.00 26.97 C ATOM 153 CG PHE A 15 29.541 -24.160 5.202 1.00 24.58 C ATOM 154 CD1 PHE A 15 29.130 -23.705 6.447 1.00 27.85 C ATOM 155 CD2 PHE A 15 28.892 -23.707 4.084 1.00 27.84 C ATOM 156 CE1 PHE A 15 28.090 -22.773 6.556 1.00 30.06 C ATOM 157 CE2 PHE A 15 27.821 -22.788 4.173 1.00 29.98 C ATOM 158 CZ PHE A 15 27.448 -22.305 5.415 1.00 27.84 C ATOM 159 H PHE A 15 32.922 -26.498 5.467 1.00 0.00 H ATOM 160 N LYS A 16 32.021 -22.402 6.054 1.00 28.74 N ATOM 161 CA LYS A 16 32.224 -21.484 7.171 1.00 35.81 C ATOM 162 C LYS A 16 31.154 -20.389 7.063 1.00 30.68 C ATOM 163 O LYS A 16 30.897 -19.822 5.993 1.00 30.21 O ATOM 164 CB LYS A 16 33.647 -20.909 6.973 1.00 42.12 C ATOM 165 CG LYS A 16 34.064 -19.779 7.851 1.00 50.30 C ATOM 166 CD LYS A 16 34.640 -20.290 9.156 1.00 62.31 C ATOM 167 CE LYS A 16 35.083 -19.156 10.085 1.00 65.53 C ATOM 168 NZ LYS A 16 34.938 -19.598 11.488 1.00 62.45 N ATOM 169 HZ1 LYS A 16 33.943 -19.836 11.674 1.00 0.00 H ATOM 170 HZ2 LYS A 16 35.532 -20.436 11.649 1.00 0.00 H ATOM 171 HZ3 LYS A 16 35.237 -18.832 12.124 1.00 0.00 H ATOM 172 H LYS A 16 31.640 -22.055 5.151 1.00 0.00 H ATOM 173 N LEU A 17 30.540 -20.027 8.156 1.00 28.30 N ATOM 174 CA LEU A 17 29.702 -18.815 8.118 1.00 30.84 C ATOM 175 C LEU A 17 30.575 -17.698 8.700 1.00 33.13 C ATOM 176 O LEU A 17 30.995 -17.837 9.844 1.00 27.48 O ATOM 177 CB LEU A 17 28.488 -19.095 8.978 1.00 34.81 C ATOM 178 CG LEU A 17 27.252 -18.216 8.891 1.00 44.93 C ATOM 179 CD1 LEU A 17 26.126 -18.970 9.589 1.00 47.71 C ATOM 180 CD2 LEU A 17 27.493 -16.859 9.547 1.00 45.69 C ATOM 181 H LEU A 17 30.639 -20.579 9.032 1.00 0.00 H ATOM 182 N ASN A 18 30.845 -16.631 7.930 1.00 29.40 N ATOM 183 CA ASN A 18 31.765 -15.599 8.356 1.00 31.48 C ATOM 184 C ASN A 18 31.072 -14.448 9.102 1.00 34.23 C ATOM 185 O ASN A 18 31.606 -13.932 10.032 1.00 33.08 O ATOM 186 CB ASN A 18 32.412 -14.967 7.140 1.00 32.48 C ATOM 187 CG ASN A 18 33.099 -15.961 6.236 1.00 28.98 C ATOM 188 OD1 ASN A 18 32.812 -16.046 5.037 1.00 35.70 O ATOM 189 ND2 ASN A 18 33.987 -16.693 6.776 1.00 29.06 N ATOM 190 HD22 ASN A 18 34.200 -16.591 7.789 1.00 0.00 H ATOM 191 HD21 ASN A 18 34.501 -17.394 6.205 1.00 0.00 H ATOM 192 H ASN A 18 30.381 -16.545 7.003 1.00 0.00 H ATOM 193 N TRP A 19 29.900 -14.015 8.655 1.00 33.34 N ATOM 194 CA TRP A 19 29.152 -13.066 9.444 1.00 37.19 C ATOM 195 C TRP A 19 27.692 -13.071 9.052 1.00 34.83 C ATOM 196 O TRP A 19 27.332 -13.601 8.000 1.00 34.29 O ATOM 197 CB TRP A 19 29.734 -11.630 9.341 1.00 38.79 C ATOM 198 CG TRP A 19 29.899 -11.096 7.969 1.00 36.75 C ATOM 199 CD1 TRP A 19 31.060 -11.042 7.274 1.00 33.72 C ATOM 200 CD2 TRP A 19 28.908 -10.489 7.131 1.00 35.73 C ATOM 201 NE1 TRP A 19 30.860 -10.488 6.048 1.00 30.93 N ATOM 202 CE2 TRP A 19 29.558 -10.118 5.928 1.00 35.55 C ATOM 203 CE3 TRP A 19 27.561 -10.204 7.280 1.00 41.28 C ATOM 204 CZ2 TRP A 19 28.885 -9.521 4.842 1.00 40.31 C ATOM 205 CZ3 TRP A 19 26.875 -9.602 6.202 1.00 40.79 C ATOM 206 CH2 TRP A 19 27.537 -9.275 5.002 1.00 43.07 C ATOM 207 HE1 TRP A 19 31.589 -10.367 5.317 1.00 0.00 H ATOM 208 H TRP A 19 29.525 -14.356 7.747 1.00 0.00 H ATOM 209 N MET A 20 26.881 -12.482 9.932 1.00 34.23 N ATOM 210 CA MET A 20 25.463 -12.319 9.712 1.00 35.07 C ATOM 211 C MET A 20 24.867 -11.061 10.361 1.00 33.73 C ATOM 212 O MET A 20 25.315 -10.632 11.402 1.00 33.77 O ATOM 213 CB MET A 20 24.742 -13.536 10.264 1.00 34.10 C ATOM 214 CG MET A 20 23.237 -13.515 10.094 1.00 38.06 C ATOM 215 SD MET A 20 22.518 -15.178 10.252 1.00 45.38 S ATOM 216 CE MET A 20 23.431 -15.879 11.652 1.00 42.65 C ATOM 217 H MET A 20 27.289 -12.123 10.819 1.00 0.00 H ATOM 218 N ASN A 21 23.822 -10.515 9.746 1.00 33.23 N ATOM 219 CA ASN A 21 22.933 -9.591 10.445 1.00 39.62 C ATOM 220 C ASN A 21 21.422 -9.752 10.169 1.00 41.19 C ATOM 221 O ASN A 21 20.969 -10.403 9.216 1.00 38.62 O ATOM 222 CB ASN A 21 23.396 -8.140 10.296 1.00 40.40 C ATOM 223 CG ASN A 21 23.502 -7.722 8.878 1.00 47.31 C ATOM 224 OD1 ASN A 21 24.593 -7.385 8.392 1.00 52.88 O ATOM 225 ND2 ASN A 21 22.396 -7.777 8.177 1.00 42.92 N ATOM 226 HD22 ASN A 21 21.506 -8.066 8.631 1.00 0.00 H ATOM 227 HD21 ASN A 21 22.408 -7.532 7.166 1.00 0.00 H ATOM 228 H ASN A 21 23.635 -10.750 8.750 1.00 0.00 H ATOM 229 N LEU A 22 20.666 -9.201 11.106 1.00 39.45 N ATOM 230 CA LEU A 22 19.237 -9.229 11.078 1.00 38.03 C ATOM 231 C LEU A 22 18.819 -7.794 11.108 1.00 36.96 C ATOM 232 O LEU A 22 19.374 -7.035 11.901 1.00 34.75 O ATOM 233 CB LEU A 22 18.715 -9.911 12.345 1.00 36.35 C ATOM 234 CG LEU A 22 19.162 -11.368 12.482 1.00 38.59 C ATOM 235 CD1 LEU A 22 18.508 -11.977 13.705 1.00 40.90 C ATOM 236 CD2 LEU A 22 18.872 -12.181 11.241 1.00 38.63 C ATOM 237 H LEU A 22 21.135 -8.724 11.902 1.00 0.00 H ATOM 238 N ARG A 23 17.896 -7.428 10.229 1.00 36.60 N ATOM 239 CA ARG A 23 17.315 -6.080 10.230 1.00 41.15 C ATOM 240 C ARG A 23 15.771 -6.099 10.149 1.00 41.24 C ATOM 241 O ARG A 23 15.167 -7.038 9.623 1.00 36.34 O ATOM 242 CB ARG A 23 17.944 -5.275 9.116 1.00 49.25 C ATOM 243 CG ARG A 23 19.430 -4.993 9.392 1.00 56.00 C ATOM 244 CD ARG A 23 20.134 -4.174 8.316 1.00 59.63 C ATOM 245 NE ARG A 23 20.039 -4.809 7.007 1.00 65.82 N ATOM 246 CZ ARG A 23 19.405 -4.327 5.930 1.00 74.49 C ATOM 247 NH1 ARG A 23 18.782 -3.146 5.933 1.00 76.02 N ATOM 248 NH2 ARG A 23 19.410 -5.044 4.808 1.00 75.47 N ATOM 249 HE ARG A 23 20.511 -5.729 6.899 1.00 0.00 H ATOM 250 HH12 ARG A 23 18.302 -2.809 5.074 1.00 0.00 H ATOM 251 HH11 ARG A 23 18.777 -2.563 6.794 1.00 0.00 H ATOM 252 HH22 ARG A 23 18.924 -4.687 3.961 1.00 0.00 H ATOM 253 HH21 ARG A 23 19.900 -5.961 4.779 1.00 0.00 H ATOM 254 H ARG A 23 17.574 -8.116 9.518 1.00 0.00 H ATOM 255 N ASP A 24 15.132 -5.103 10.748 1.00 45.07 N ATOM 256 CA ASP A 24 13.696 -4.930 10.623 1.00 42.28 C ATOM 257 C ASP A 24 13.492 -4.669 9.156 1.00 42.71 C ATOM 258 O ASP A 24 14.092 -3.759 8.605 1.00 43.70 O ATOM 259 CB ASP A 24 13.234 -3.714 11.412 1.00 49.23 C ATOM 260 CG ASP A 24 11.672 -3.556 11.450 1.00 48.33 C ATOM 261 OD1 ASP A 24 10.952 -3.650 10.447 1.00 49.43 O ATOM 262 OD2 ASP A 24 11.149 -3.326 12.535 1.00 61.69 O ATOM 263 H ASP A 24 15.675 -4.427 11.323 1.00 0.00 H ATOM 264 N ALA A 25 12.670 -5.489 8.527 1.00 44.87 N ATOM 265 CA ALA A 25 12.332 -5.320 7.128 1.00 48.37 C ATOM 266 C ALA A 25 11.597 -4.023 6.790 1.00 53.86 C ATOM 267 O ALA A 25 11.556 -3.659 5.622 1.00 55.02 O ATOM 268 CB ALA A 25 11.493 -6.496 6.646 1.00 46.66 C ATOM 269 H ALA A 25 12.251 -6.282 9.053 1.00 0.00 H ATOM 270 N GLU A 26 10.976 -3.358 7.765 1.00 53.89 N ATOM 271 CA GLU A 26 10.285 -2.085 7.493 1.00 64.62 C ATOM 272 C GLU A 26 11.238 -0.898 7.533 1.00 61.28 C ATOM 273 O GLU A 26 11.251 -0.086 6.624 1.00 60.06 O ATOM 274 CB GLU A 26 9.155 -1.828 8.501 1.00 69.20 C ATOM 275 CG GLU A 26 7.965 -2.756 8.349 1.00 76.35 C ATOM 276 CD GLU A 26 7.165 -2.481 7.091 1.00 83.66 C ATOM 277 OE1 GLU A 26 7.467 -1.465 6.404 1.00 81.15 O ATOM 278 OE2 GLU A 26 6.254 -3.298 6.793 1.00 81.68 O ATOM 279 H GLU A 26 10.979 -3.743 8.731 1.00 0.00 H ATOM 280 N THR A 27 12.016 -0.821 8.609 1.00 61.72 N ATOM 281 CA THR A 27 12.894 0.312 8.871 1.00 58.42 C ATOM 282 C THR A 27 14.284 0.149 8.307 1.00 57.14 C ATOM 283 O THR A 27 15.008 1.137 8.139 1.00 52.38 O ATOM 284 CB THR A 27 13.098 0.590 10.382 1.00 65.50 C ATOM 285 OG1 THR A 27 14.460 0.955 10.600 1.00 76.82 O ATOM 286 CG2 THR A 27 12.883 -0.591 11.242 1.00 69.57 C ATOM 287 HG1 THR A 27 14.670 1.768 10.076 1.00 0.00 H ATOM 288 H THR A 27 11.997 -1.604 9.293 1.00 0.00 H ATOM 289 N GLY A 28 14.696 -1.099 8.090 1.00 55.24 N ATOM 290 CA GLY A 28 16.086 -1.403 7.782 1.00 51.90 C ATOM 291 C GLY A 28 17.042 -1.232 8.952 1.00 49.53 C ATOM 292 O GLY A 28 18.250 -1.290 8.752 1.00 59.81 O ATOM 293 H GLY A 28 14.007 -1.876 8.142 1.00 0.00 H ATOM 294 N LYS A 29 16.547 -1.036 10.170 1.00 50.25 N ATOM 295 CA LYS A 29 17.455 -0.869 11.304 1.00 54.87 C ATOM 296 C LYS A 29 18.040 -2.255 11.655 1.00 56.78 C ATOM 297 O LYS A 29 17.375 -3.270 11.472 1.00 43.15 O ATOM 298 CB LYS A 29 16.751 -0.267 12.519 1.00 59.90 C ATOM 299 CG LYS A 29 16.502 1.230 12.386 1.00 74.15 C ATOM 300 CD LYS A 29 17.652 2.112 12.876 1.00 78.45 C ATOM 301 CE LYS A 29 17.560 3.535 12.303 1.00 84.96 C ATOM 302 NZ LYS A 29 16.181 4.128 12.236 1.00 76.18 N ATOM 303 HZ1 LYS A 29 15.578 3.533 11.633 1.00 0.00 H ATOM 304 HZ2 LYS A 29 15.778 4.174 13.194 1.00 0.00 H ATOM 305 HZ3 LYS A 29 16.236 5.086 11.835 1.00 0.00 H ATOM 306 H LYS A 29 15.518 -1.002 10.316 1.00 0.00 H ATOM 307 N ILE A 30 19.280 -2.249 12.138 1.00 46.79 N ATOM 308 CA ILE A 30 20.010 -3.430 12.520 1.00 54.45 C ATOM 309 C ILE A 30 19.542 -3.841 13.901 1.00 52.62 C ATOM 310 O ILE A 30 19.581 -3.033 14.821 1.00 50.03 O ATOM 311 CB ILE A 30 21.536 -3.171 12.496 1.00 59.78 C ATOM 312 CG1 ILE A 30 21.999 -2.987 11.047 1.00 65.16 C ATOM 313 CG2 ILE A 30 22.296 -4.324 13.149 1.00 65.31 C ATOM 314 CD1 ILE A 30 23.410 -2.460 10.908 1.00 70.77 C ATOM 315 H ILE A 30 19.754 -1.330 12.247 1.00 0.00 H ATOM 316 N LEU A 31 19.092 -5.099 14.021 1.00 44.68 N ATOM 317 CA LEU A 31 18.669 -5.692 15.290 1.00 42.23 C ATOM 318 C LEU A 31 19.802 -6.552 15.897 1.00 44.60 C ATOM 319 O LEU A 31 20.023 -6.542 17.110 1.00 46.57 O ATOM 320 CB LEU A 31 17.412 -6.536 15.057 1.00 47.42 C ATOM 321 CG LEU A 31 16.252 -5.858 14.300 1.00 45.99 C ATOM 322 CD1 LEU A 31 15.187 -6.842 13.907 1.00 45.71 C ATOM 323 CD2 LEU A 31 15.636 -4.718 15.106 1.00 50.46 C ATOM 324 H LEU A 31 19.041 -5.686 13.164 1.00 0.00 H ATOM 325 N TRP A 32 20.546 -7.267 15.057 1.00 40.73 N ATOM 326 CA TRP A 32 21.616 -8.132 15.542 1.00 36.65 C ATOM 327 C TRP A 32 22.740 -8.157 14.516 1.00 31.65 C ATOM 328 O TRP A 32 22.484 -8.115 13.342 1.00 30.35 O ATOM 329 CB TRP A 32 21.052 -9.564 15.681 1.00 37.04 C ATOM 330 CG TRP A 32 21.967 -10.499 16.356 1.00 36.82 C ATOM 331 CD1 TRP A 32 22.113 -10.670 17.704 1.00 38.96 C ATOM 332 CD2 TRP A 32 22.931 -11.341 15.736 1.00 37.09 C ATOM 333 NE1 TRP A 32 23.136 -11.575 17.964 1.00 40.32 N ATOM 334 CE2 TRP A 32 23.621 -12.027 16.763 1.00 39.54 C ATOM 335 CE3 TRP A 32 23.252 -11.621 14.421 1.00 42.69 C ATOM 336 CZ2 TRP A 32 24.627 -12.953 16.499 1.00 43.36 C ATOM 337 CZ3 TRP A 32 24.280 -12.519 14.166 1.00 47.41 C ATOM 338 CH2 TRP A 32 24.956 -13.169 15.200 1.00 45.13 C ATOM 339 HE1 TRP A 32 23.475 -11.860 18.905 1.00 0.00 H ATOM 340 H TRP A 32 20.361 -7.208 14.035 1.00 0.00 H ATOM 341 N GLN A 33 23.967 -8.322 14.938 1.00 34.62 N ATOM 342 CA GLN A 33 24.999 -8.645 13.977 1.00 46.06 C ATOM 343 C GLN A 33 26.141 -9.343 14.650 1.00 43.36 C ATOM 344 O GLN A 33 26.358 -9.149 15.820 1.00 47.06 O ATOM 345 CB GLN A 33 25.495 -7.417 13.230 1.00 49.65 C ATOM 346 CG GLN A 33 26.206 -6.392 14.068 1.00 61.20 C ATOM 347 CD GLN A 33 26.719 -5.230 13.208 1.00 76.01 C ATOM 348 OE1 GLN A 33 26.611 -5.228 11.965 1.00 71.22 O ATOM 349 NE2 GLN A 33 27.304 -4.248 13.867 1.00 82.25 N ATOM 350 HE22 GLN A 33 27.374 -4.287 14.904 1.00 0.00 H ATOM 351 HE21 GLN A 33 27.695 -3.435 13.350 1.00 0.00 H ATOM 352 H GLN A 33 24.197 -8.223 15.947 1.00 0.00 H ATOM 353 N GLY A 34 26.842 -10.195 13.934 1.00 42.02 N ATOM 354 CA GLY A 34 27.816 -11.076 14.618 1.00 41.38 C ATOM 355 C GLY A 34 28.726 -11.732 13.638 1.00 37.82 C ATOM 356 O GLY A 34 28.397 -11.835 12.454 1.00 41.59 O ATOM 357 H GLY A 34 26.714 -10.249 12.903 1.00 0.00 H ATOM 358 N THR A 35 29.860 -12.176 14.145 1.00 42.40 N ATOM 359 CA THR A 35 30.814 -12.990 13.444 1.00 41.64 C ATOM 360 C THR A 35 30.978 -14.398 14.077 1.00 39.33 C ATOM 361 O THR A 35 31.927 -15.079 13.758 1.00 37.01 O ATOM 362 CB THR A 35 32.223 -12.301 13.433 1.00 45.35 C ATOM 363 OG1 THR A 35 32.576 -11.911 14.750 1.00 41.20 O ATOM 364 CG2 THR A 35 32.247 -11.063 12.532 1.00 47.31 C ATOM 365 HG1 THR A 35 33.466 -11.477 14.737 1.00 0.00 H ATOM 366 H THR A 35 30.080 -11.917 15.128 1.00 0.00 H ATOM 367 N GLU A 36 30.133 -14.812 15.016 1.00 45.08 N ATOM 368 CA GLU A 36 30.243 -16.168 15.586 1.00 44.22 C ATOM 369 C GLU A 36 29.696 -17.106 14.494 1.00 40.03 C ATOM 370 O GLU A 36 28.663 -16.843 13.896 1.00 37.04 O ATOM 371 CB GLU A 36 29.437 -16.333 16.891 1.00 49.91 C ATOM 372 CG GLU A 36 29.934 -17.457 17.849 1.00 62.30 C ATOM 373 CD GLU A 36 28.920 -17.916 18.954 1.00 71.96 C ATOM 374 OE1 GLU A 36 28.280 -17.027 19.592 1.00 71.57 O ATOM 375 OE2 GLU A 36 28.762 -19.170 19.218 1.00 58.93 O ATOM 376 H GLU A 36 29.385 -14.172 15.353 1.00 0.00 H ATOM 377 N ASP A 37 30.400 -18.172 14.190 1.00 35.01 N ATOM 378 CA ASP A 37 29.870 -19.153 13.292 1.00 33.84 C ATOM 379 C ASP A 37 28.716 -19.966 13.963 1.00 31.61 C ATOM 380 O ASP A 37 28.906 -21.030 14.572 1.00 27.62 O ATOM 381 CB ASP A 37 30.948 -20.045 12.689 1.00 34.38 C ATOM 382 CG ASP A 37 30.375 -20.932 11.587 1.00 42.73 C ATOM 383 OD1 ASP A 37 29.130 -21.145 11.631 1.00 39.58 O ATOM 384 OD2 ASP A 37 31.119 -21.405 10.697 1.00 40.52 O ATOM 385 H ASP A 37 31.345 -18.304 14.603 1.00 0.00 H ATOM 386 N LEU A 38 27.503 -19.458 13.806 1.00 31.99 N ATOM 387 CA LEU A 38 26.309 -20.102 14.390 1.00 34.16 C ATOM 388 C LEU A 38 25.902 -21.447 13.752 1.00 33.07 C ATOM 389 O LEU A 38 25.078 -22.166 14.322 1.00 36.03 O ATOM 390 CB LEU A 38 25.109 -19.120 14.398 1.00 34.97 C ATOM 391 CG LEU A 38 25.264 -17.924 15.314 1.00 32.05 C ATOM 392 CD1 LEU A 38 23.939 -17.176 15.375 1.00 38.62 C ATOM 393 CD2 LEU A 38 25.717 -18.296 16.696 1.00 35.03 C ATOM 394 H LEU A 38 27.388 -18.582 13.257 1.00 0.00 H ATOM 395 N SER A 39 26.467 -21.762 12.598 1.00 30.77 N ATOM 396 CA SER A 39 26.299 -23.048 11.907 1.00 33.86 C ATOM 397 C SER A 39 27.041 -24.260 12.462 1.00 31.10 C ATOM 398 O SER A 39 26.805 -25.382 12.035 1.00 29.69 O ATOM 399 CB SER A 39 26.763 -22.913 10.427 1.00 32.09 C ATOM 400 OG SER A 39 28.166 -22.823 10.316 1.00 37.72 O ATOM 401 HG SER A 39 28.485 -22.028 10.813 1.00 0.00 H ATOM 402 H SER A 39 27.074 -21.048 12.147 1.00 0.00 H ATOM 403 N VAL A 40 27.967 -24.046 13.376 1.00 34.77 N ATOM 404 CA VAL A 40 28.776 -25.139 13.896 1.00 29.86 C ATOM 405 C VAL A 40 27.887 -26.072 14.676 1.00 28.58 C ATOM 406 O VAL A 40 27.240 -25.641 15.616 1.00 27.68 O ATOM 407 CB VAL A 40 29.935 -24.640 14.784 1.00 30.39 C ATOM 408 CG1 VAL A 40 30.702 -25.829 15.352 1.00 31.93 C ATOM 409 CG2 VAL A 40 30.882 -23.792 13.892 1.00 34.07 C ATOM 410 H VAL A 40 28.122 -23.081 13.731 1.00 0.00 H ATOM 411 N PRO A 41 27.847 -27.342 14.281 1.00 28.09 N ATOM 412 CA PRO A 41 27.048 -28.308 14.936 1.00 29.23 C ATOM 413 C PRO A 41 27.656 -28.840 16.176 1.00 34.47 C ATOM 414 O PRO A 41 28.875 -28.732 16.367 1.00 32.57 O ATOM 415 CB PRO A 41 26.917 -29.462 13.921 1.00 31.49 C ATOM 416 CG PRO A 41 27.983 -29.257 12.958 1.00 29.87 C ATOM 417 CD PRO A 41 28.545 -27.872 13.104 1.00 30.88 C ATOM 418 N GLY A 42 26.777 -29.443 16.988 1.00 31.50 N ATOM 419 CA GLY A 42 27.155 -30.198 18.115 1.00 35.08 C ATOM 420 C GLY A 42 27.362 -29.435 19.400 1.00 39.66 C ATOM 421 O GLY A 42 27.711 -30.062 20.389 1.00 45.14 O ATOM 422 H GLY A 42 25.763 -29.349 16.775 1.00 0.00 H ATOM 423 N VAL A 43 27.198 -28.116 19.379 1.00 35.22 N ATOM 424 CA VAL A 43 27.207 -27.282 20.597 1.00 38.15 C ATOM 425 C VAL A 43 26.067 -26.299 20.539 1.00 33.55 C ATOM 426 O VAL A 43 25.684 -25.844 19.452 1.00 40.38 O ATOM 427 CB VAL A 43 28.486 -26.452 20.786 1.00 44.98 C ATOM 428 CG1 VAL A 43 29.688 -27.383 20.994 1.00 57.19 C ATOM 429 CG2 VAL A 43 28.729 -25.516 19.609 1.00 46.22 C ATOM 430 H VAL A 43 27.057 -27.649 18.460 1.00 0.00 H ATOM 431 N GLU A 44 25.476 -26.027 21.683 1.00 29.36 N ATOM 432 CA GLU A 44 24.416 -25.049 21.753 1.00 36.12 C ATOM 433 C GLU A 44 24.949 -23.625 21.750 1.00 32.42 C ATOM 434 O GLU A 44 25.528 -23.170 22.713 1.00 39.60 O ATOM 435 CB GLU A 44 23.566 -25.259 23.000 1.00 37.60 C ATOM 436 CG GLU A 44 22.303 -24.364 22.993 1.00 37.35 C ATOM 437 CD GLU A 44 21.506 -24.563 24.283 1.00 39.72 C ATOM 438 OE1 GLU A 44 20.799 -25.573 24.354 1.00 39.84 O ATOM 439 OE2 GLU A 44 21.661 -23.756 25.223 1.00 42.59 O ATOM 440 H GLU A 44 25.776 -26.522 22.547 1.00 0.00 H ATOM 441 N HIS A 45 24.753 -22.921 20.665 1.00 30.46 N ATOM 442 CA HIS A 45 25.109 -21.528 20.616 1.00 29.34 C ATOM 443 C HIS A 45 24.037 -20.693 21.350 1.00 33.27 C ATOM 444 O HIS A 45 22.965 -21.172 21.584 1.00 31.14 O ATOM 445 CB HIS A 45 25.120 -21.105 19.155 1.00 29.20 C ATOM 446 CG HIS A 45 26.127 -21.836 18.335 1.00 32.87 C ATOM 447 ND1 HIS A 45 25.797 -22.917 17.528 1.00 36.36 N ATOM 448 CD2 HIS A 45 27.465 -21.654 18.197 1.00 29.80 C ATOM 449 CE1 HIS A 45 26.878 -23.347 16.908 1.00 31.30 C ATOM 450 NE2 HIS A 45 27.906 -22.614 17.318 1.00 34.03 N ATOM 451 H HIS A 45 24.335 -23.374 19.827 1.00 0.00 H ATOM 452 N GLU A 46 24.356 -19.451 21.674 1.00 29.79 N ATOM 453 CA GLU A 46 23.511 -18.624 22.458 1.00 31.83 C ATOM 454 C GLU A 46 23.579 -17.256 21.798 1.00 34.62 C ATOM 455 O GLU A 46 24.628 -16.838 21.377 1.00 31.38 O ATOM 456 CB GLU A 46 23.993 -18.634 23.922 1.00 34.66 C ATOM 457 CG GLU A 46 23.019 -19.258 24.952 1.00 38.20 C ATOM 458 CD GLU A 46 22.999 -20.786 25.182 1.00 41.80 C ATOM 459 OE1 GLU A 46 22.299 -21.210 26.143 1.00 45.11 O ATOM 460 OE2 GLU A 46 23.638 -21.584 24.469 1.00 42.45 O ATOM 461 H GLU A 46 25.262 -19.065 21.341 1.00 0.00 H ATOM 462 N ALA A 47 22.448 -16.591 21.676 1.00 33.40 N ATOM 463 CA ALA A 47 22.452 -15.240 21.154 1.00 33.61 C ATOM 464 C ALA A 47 21.400 -14.413 21.809 1.00 35.10 C ATOM 465 O ALA A 47 20.346 -14.920 22.191 1.00 31.48 O ATOM 466 CB ALA A 47 22.141 -15.305 19.692 1.00 33.43 C ATOM 467 H ALA A 47 21.551 -17.037 21.955 1.00 0.00 H ATOM 468 N ARG A 48 21.652 -13.121 21.826 1.00 37.54 N ATOM 469 CA ARG A 48 20.783 -12.146 22.473 1.00 42.63 C ATOM 470 C ARG A 48 20.287 -11.224 21.437 1.00 36.47 C ATOM 471 O ARG A 48 21.082 -10.677 20.722 1.00 38.14 O ATOM 472 CB ARG A 48 21.589 -11.270 23.420 1.00 47.55 C ATOM 473 CG ARG A 48 22.245 -12.033 24.513 1.00 50.47 C ATOM 474 CD ARG A 48 23.316 -11.200 25.177 1.00 58.69 C ATOM 475 NE ARG A 48 24.079 -12.051 26.065 1.00 62.93 N ATOM 476 CZ ARG A 48 25.046 -11.618 26.878 1.00 72.13 C ATOM 477 NH1 ARG A 48 25.396 -10.323 26.900 1.00 60.72 N ATOM 478 NH2 ARG A 48 25.663 -12.502 27.679 1.00 68.51 N ATOM 479 HE ARG A 48 23.860 -13.068 26.070 1.00 0.00 H ATOM 480 HH12 ARG A 48 26.151 -9.999 27.538 1.00 0.00 H ATOM 481 HH11 ARG A 48 24.913 -9.643 26.279 1.00 0.00 H ATOM 482 HH22 ARG A 48 26.419 -12.185 28.319 1.00 0.00 H ATOM 483 HH21 ARG A 48 25.385 -13.504 27.659 1.00 0.00 H ATOM 484 H ARG A 48 22.514 -12.779 21.355 1.00 0.00 H ATOM 485 N VAL A 49 18.979 -11.072 21.333 1.00 32.42 N ATOM 486 CA VAL A 49 18.400 -10.217 20.345 1.00 36.88 C ATOM 487 C VAL A 49 17.436 -9.283 21.072 1.00 36.52 C ATOM 488 O VAL A 49 16.913 -9.665 22.124 1.00 35.13 O ATOM 489 CB VAL A 49 17.675 -11.023 19.256 1.00 41.25 C ATOM 490 CG1 VAL A 49 18.672 -11.943 18.586 1.00 46.44 C ATOM 491 CG2 VAL A 49 16.548 -11.863 19.829 1.00 44.83 C ATOM 492 H VAL A 49 18.355 -11.587 21.986 1.00 0.00 H ATOM 493 N PRO A 50 17.237 -8.071 20.547 1.00 37.67 N ATOM 494 CA PRO A 50 16.353 -7.135 21.214 1.00 37.24 C ATOM 495 C PRO A 50 14.952 -7.637 21.059 1.00 35.44 C ATOM 496 O PRO A 50 14.600 -8.188 20.010 1.00 36.71 O ATOM 497 CB PRO A 50 16.556 -5.793 20.454 1.00 41.95 C ATOM 498 CG PRO A 50 17.521 -6.083 19.339 1.00 43.21 C ATOM 499 CD PRO A 50 17.648 -7.577 19.221 1.00 43.61 C ATOM 500 N LYS A 51 14.187 -7.500 22.128 1.00 36.27 N ATOM 501 CA LYS A 51 12.829 -8.004 22.181 1.00 43.76 C ATOM 502 C LYS A 51 11.918 -7.392 21.147 1.00 41.96 C ATOM 503 O LYS A 51 10.910 -8.011 20.732 1.00 38.55 O ATOM 504 CB LYS A 51 12.259 -7.772 23.582 1.00 53.23 C ATOM 505 CG LYS A 51 12.194 -6.312 24.062 1.00 57.16 C ATOM 506 CD LYS A 51 11.770 -6.217 25.537 1.00 58.13 C ATOM 507 CE LYS A 51 12.738 -6.968 26.451 1.00 65.90 C ATOM 508 NZ LYS A 51 12.919 -6.381 27.825 1.00 68.48 N ATOM 509 HZ1 LYS A 51 13.286 -5.412 27.741 1.00 0.00 H ATOM 510 HZ2 LYS A 51 12.003 -6.365 28.317 1.00 0.00 H ATOM 511 HZ3 LYS A 51 13.593 -6.963 28.363 1.00 0.00 H ATOM 512 H LYS A 51 14.573 -7.013 22.962 1.00 0.00 H ATOM 513 N LYS A 52 12.263 -6.200 20.699 1.00 38.88 N ATOM 514 CA LYS A 52 11.463 -5.592 19.623 1.00 45.16 C ATOM 515 C LYS A 52 11.388 -6.429 18.346 1.00 45.13 C ATOM 516 O LYS A 52 10.416 -6.287 17.597 1.00 40.88 O ATOM 517 CB LYS A 52 11.881 -4.120 19.321 1.00 55.35 C ATOM 518 CG LYS A 52 13.367 -3.826 19.178 1.00 61.74 C ATOM 519 CD LYS A 52 13.585 -2.373 18.706 1.00 72.10 C ATOM 520 CE LYS A 52 15.027 -2.068 18.284 1.00 73.29 C ATOM 521 NZ LYS A 52 15.984 -2.124 19.425 1.00 73.05 N ATOM 522 HZ1 LYS A 52 15.707 -1.425 20.143 1.00 0.00 H ATOM 523 HZ2 LYS A 52 15.968 -3.076 19.843 1.00 0.00 H ATOM 524 HZ3 LYS A 52 16.942 -1.910 19.083 1.00 0.00 H ATOM 525 H LYS A 52 13.083 -5.700 21.098 1.00 0.00 H ATOM 526 N ILE A 53 12.335 -7.359 18.117 1.00 40.55 N ATOM 527 CA ILE A 53 12.227 -8.260 16.946 1.00 40.95 C ATOM 528 C ILE A 53 10.908 -8.985 16.871 1.00 39.04 C ATOM 529 O ILE A 53 10.354 -9.285 15.780 1.00 36.21 O ATOM 530 CB ILE A 53 13.347 -9.344 16.906 1.00 47.60 C ATOM 531 CG1 ILE A 53 13.319 -10.074 15.555 1.00 46.49 C ATOM 532 CG2 ILE A 53 13.268 -10.347 18.095 1.00 41.86 C ATOM 533 CD1 ILE A 53 14.635 -10.766 15.246 1.00 49.35 C ATOM 534 H ILE A 53 13.145 -7.445 18.764 1.00 0.00 H ATOM 535 N LEU A 54 10.375 -9.269 18.040 1.00 37.74 N ATOM 536 CA LEU A 54 9.068 -9.939 18.113 1.00 36.37 C ATOM 537 C LEU A 54 7.912 -9.092 17.577 1.00 35.48 C ATOM 538 O LEU A 54 6.850 -9.657 17.272 1.00 38.04 O ATOM 539 CB LEU A 54 8.781 -10.346 19.573 1.00 36.51 C ATOM 540 CG LEU A 54 9.849 -11.306 20.091 1.00 38.72 C ATOM 541 CD1 LEU A 54 9.801 -11.310 21.595 1.00 39.44 C ATOM 542 CD2 LEU A 54 9.679 -12.703 19.475 1.00 33.63 C ATOM 543 H LEU A 54 10.879 -9.019 18.915 1.00 0.00 H ATOM 544 N LYS A 55 8.110 -7.771 17.464 1.00 34.81 N ATOM 545 CA LYS A 55 7.072 -6.909 16.834 1.00 43.84 C ATOM 546 C LYS A 55 7.250 -6.720 15.341 1.00 46.94 C ATOM 547 O LYS A 55 6.508 -5.936 14.742 1.00 45.48 O ATOM 548 CB LYS A 55 7.074 -5.496 17.427 1.00 45.71 C ATOM 549 CG LYS A 55 7.118 -5.444 18.944 1.00 51.06 C ATOM 550 CD LYS A 55 5.856 -6.057 19.520 1.00 55.36 C ATOM 551 CE LYS A 55 5.802 -5.838 21.024 1.00 58.51 C ATOM 552 NZ LYS A 55 4.396 -5.878 21.473 1.00 61.50 N ATOM 553 HZ1 LYS A 55 3.858 -5.129 20.992 1.00 0.00 H ATOM 554 HZ2 LYS A 55 3.985 -6.805 21.241 1.00 0.00 H ATOM 555 HZ3 LYS A 55 4.357 -5.728 22.501 1.00 0.00 H ATOM 556 H LYS A 55 8.991 -7.347 17.817 1.00 0.00 H ATOM 557 N CYS A 56 8.249 -7.358 14.726 1.00 42.14 N ATOM 558 CA CYS A 56 8.511 -7.090 13.328 1.00 42.08 C ATOM 559 C CYS A 56 7.631 -8.009 12.551 1.00 46.80 C ATOM 560 O CYS A 56 7.520 -9.185 12.901 1.00 47.41 O ATOM 561 CB CYS A 56 9.962 -7.360 12.972 1.00 42.06 C ATOM 562 SG CYS A 56 11.121 -6.223 13.723 1.00 44.59 S ATOM 563 H CYS A 56 8.834 -8.042 15.247 1.00 0.00 H ATOM 564 N LYS A 57 7.040 -7.503 11.472 1.00 49.10 N ATOM 565 CA LYS A 57 6.243 -8.352 10.584 1.00 54.26 C ATOM 566 C LYS A 57 7.170 -9.232 9.731 1.00 47.50 C ATOM 567 O LYS A 57 6.908 -10.426 9.523 1.00 43.08 O ATOM 568 CB LYS A 57 5.284 -7.507 9.748 1.00 69.35 C ATOM 569 CG LYS A 57 3.816 -7.913 9.945 1.00 85.00 C ATOM 570 CD LYS A 57 2.861 -6.727 9.833 1.00 98.45 C ATOM 571 CE LYS A 57 3.094 -5.902 8.564 1.00103.46 C ATOM 572 NZ LYS A 57 3.201 -6.712 7.309 1.00104.56 N ATOM 573 HZ1 LYS A 57 3.999 -7.373 7.392 1.00 0.00 H ATOM 574 HZ2 LYS A 57 2.320 -7.246 7.166 1.00 0.00 H ATOM 575 HZ3 LYS A 57 3.358 -6.077 6.500 1.00 0.00 H ATOM 576 H LYS A 57 7.145 -6.491 11.256 1.00 0.00 H ATOM 577 N ALA A 58 8.300 -8.669 9.340 1.00 39.87 N ATOM 578 CA ALA A 58 9.327 -9.463 8.691 1.00 42.34 C ATOM 579 C ALA A 58 10.716 -9.000 9.089 1.00 40.78 C ATOM 580 O ALA A 58 10.944 -7.815 9.422 1.00 40.31 O ATOM 581 CB ALA A 58 9.194 -9.391 7.173 1.00 43.92 C ATOM 582 H ALA A 58 8.454 -7.653 9.498 1.00 0.00 H ATOM 583 N VAL A 59 11.645 -9.956 9.055 1.00 40.96 N ATOM 584 CA VAL A 59 13.049 -9.675 9.354 1.00 42.96 C ATOM 585 C VAL A 59 13.919 -9.928 8.112 1.00 44.37 C ATOM 586 O VAL A 59 13.797 -10.961 7.458 1.00 40.89 O ATOM 587 CB VAL A 59 13.513 -10.512 10.536 1.00 44.54 C ATOM 588 CG1 VAL A 59 15.016 -10.473 10.699 1.00 46.50 C ATOM 589 CG2 VAL A 59 12.812 -10.034 11.797 1.00 45.09 C ATOM 590 H VAL A 59 11.364 -10.927 8.809 1.00 0.00 H ATOM 591 N SER A 60 14.803 -8.978 7.812 1.00 38.95 N ATOM 592 CA SER A 60 15.713 -9.111 6.698 1.00 43.64 C ATOM 593 C SER A 60 17.076 -9.647 7.197 1.00 41.77 C ATOM 594 O SER A 60 17.707 -9.075 8.083 1.00 39.02 O ATOM 595 CB SER A 60 15.829 -7.747 5.989 1.00 45.64 C ATOM 596 OG SER A 60 17.017 -7.649 5.261 1.00 50.12 O ATOM 597 HG SER A 60 17.788 -7.751 5.874 1.00 0.00 H ATOM 598 H SER A 60 14.839 -8.118 8.395 1.00 0.00 H ATOM 599 N ARG A 61 17.499 -10.757 6.614 1.00 40.29 N ATOM 600 CA ARG A 61 18.747 -11.436 6.994 1.00 42.96 C ATOM 601 C ARG A 61 19.784 -11.279 5.918 1.00 46.12 C ATOM 602 O ARG A 61 19.502 -11.479 4.712 1.00 45.81 O ATOM 603 CB ARG A 61 18.537 -12.931 7.198 1.00 42.78 C ATOM 604 CG ARG A 61 19.820 -13.670 7.593 1.00 43.41 C ATOM 605 CD ARG A 61 19.574 -15.159 7.802 1.00 40.17 C ATOM 606 NE ARG A 61 19.106 -15.828 6.579 1.00 37.74 N ATOM 607 CZ ARG A 61 18.359 -16.946 6.565 1.00 40.24 C ATOM 608 NH1 ARG A 61 17.981 -17.534 7.697 1.00 42.47 N ATOM 609 NH2 ARG A 61 17.953 -17.468 5.413 1.00 39.35 N ATOM 610 HE ARG A 61 19.370 -15.409 5.665 1.00 0.00 H ATOM 611 HH12 ARG A 61 17.403 -18.398 7.666 1.00 0.00 H ATOM 612 HH11 ARG A 61 18.263 -17.129 8.613 1.00 0.00 H ATOM 613 HH22 ARG A 61 17.375 -18.333 5.409 1.00 0.00 H ATOM 614 HH21 ARG A 61 18.213 -17.012 4.515 1.00 0.00 H ATOM 615 H ARG A 61 16.923 -11.168 5.852 1.00 0.00 H ATOM 616 N GLU A 62 20.992 -10.958 6.343 1.00 42.18 N ATOM 617 CA GLU A 62 22.076 -10.948 5.428 1.00 42.60 C ATOM 618 C GLU A 62 23.158 -11.856 6.020 1.00 40.47 C ATOM 619 O GLU A 62 23.638 -11.625 7.131 1.00 39.34 O ATOM 620 CB GLU A 62 22.534 -9.509 5.291 1.00 48.02 C ATOM 621 CG GLU A 62 23.575 -9.305 4.232 1.00 58.56 C ATOM 622 CD GLU A 62 23.781 -7.838 3.905 1.00 61.11 C ATOM 623 OE1 GLU A 62 24.154 -7.067 4.828 1.00 58.79 O ATOM 624 OE2 GLU A 62 23.556 -7.479 2.718 1.00 62.72 O ATOM 625 H GLU A 62 21.148 -10.714 7.342 1.00 0.00 H ATOM 626 N LEU A 63 23.570 -12.861 5.263 1.00 39.65 N ATOM 627 CA LEU A 63 24.401 -13.976 5.752 1.00 37.07 C ATOM 628 C LEU A 63 25.585 -14.163 4.810 1.00 35.99 C ATOM 629 O LEU A 63 25.389 -14.275 3.608 1.00 41.46 O ATOM 630 CB LEU A 63 23.529 -15.185 5.756 1.00 37.32 C ATOM 631 CG LEU A 63 23.960 -16.500 6.376 1.00 38.56 C ATOM 632 CD1 LEU A 63 22.719 -17.374 6.468 1.00 37.81 C ATOM 633 CD2 LEU A 63 25.018 -17.158 5.510 1.00 40.59 C ATOM 634 H LEU A 63 23.290 -12.864 4.261 1.00 0.00 H ATOM 635 N ASN A 64 26.813 -14.138 5.338 1.00 34.80 N ATOM 636 CA ASN A 64 28.039 -14.276 4.477 1.00 35.22 C ATOM 637 C ASN A 64 28.720 -15.598 4.817 1.00 29.87 C ATOM 638 O ASN A 64 28.990 -15.849 5.976 1.00 29.59 O ATOM 639 CB ASN A 64 29.009 -13.142 4.756 1.00 34.13 C ATOM 640 CG ASN A 64 30.232 -13.143 3.843 1.00 36.34 C ATOM 641 OD1 ASN A 64 31.284 -13.715 4.154 1.00 38.74 O ATOM 642 ND2 ASN A 64 30.105 -12.449 2.738 1.00 36.12 N ATOM 643 HD22 ASN A 64 29.201 -11.984 2.517 1.00 0.00 H ATOM 644 HD21 ASN A 64 30.908 -12.363 2.083 1.00 0.00 H ATOM 645 H ASN A 64 26.923 -14.021 6.365 1.00 0.00 H ATOM 646 N PHE A 65 28.960 -16.425 3.813 1.00 28.88 N ATOM 647 CA PHE A 65 29.498 -17.773 4.014 1.00 30.49 C ATOM 648 C PHE A 65 30.537 -18.108 2.957 1.00 30.57 C ATOM 649 O PHE A 65 30.514 -17.533 1.890 1.00 27.95 O ATOM 650 CB PHE A 65 28.380 -18.810 4.025 1.00 29.37 C ATOM 651 CG PHE A 65 27.722 -19.003 2.684 1.00 30.20 C ATOM 652 CD1 PHE A 65 26.629 -18.229 2.310 1.00 28.24 C ATOM 653 CD2 PHE A 65 28.151 -19.984 1.822 1.00 32.05 C ATOM 654 CE1 PHE A 65 26.022 -18.417 1.098 1.00 31.28 C ATOM 655 CE2 PHE A 65 27.542 -20.170 0.577 1.00 30.43 C ATOM 656 CZ PHE A 65 26.492 -19.356 0.199 1.00 29.49 C ATOM 657 H PHE A 65 28.759 -16.106 2.844 1.00 0.00 H ATOM 658 N SER A 66 31.472 -18.991 3.300 1.00 28.32 N ATOM 659 CA SER A 66 32.472 -19.527 2.371 1.00 30.22 C ATOM 660 C SER A 66 32.322 -21.040 2.260 1.00 27.56 C ATOM 661 O SER A 66 31.986 -21.721 3.252 1.00 24.77 O ATOM 662 CB SER A 66 33.910 -19.177 2.861 1.00 34.98 C ATOM 663 OG SER A 66 34.042 -17.765 3.097 1.00 40.64 O ATOM 664 HG SER A 66 33.392 -17.485 3.790 1.00 0.00 H ATOM 665 H SER A 66 31.495 -19.321 4.286 1.00 0.00 H ATOM 666 N SER A 67 32.581 -21.586 1.070 1.00 31.69 N ATOM 667 CA SER A 67 32.522 -23.042 0.873 1.00 30.98 C ATOM 668 C SER A 67 33.617 -23.453 -0.035 1.00 29.10 C ATOM 669 O SER A 67 33.613 -22.974 -1.143 1.00 27.37 O ATOM 670 CB SER A 67 31.176 -23.430 0.257 1.00 27.37 C ATOM 671 OG SER A 67 31.048 -24.806 0.072 1.00 25.79 O ATOM 672 HG SER A 67 31.126 -25.264 0.946 1.00 0.00 H ATOM 673 H SER A 67 32.829 -20.971 0.269 1.00 0.00 H ATOM 674 N THR A 68 34.560 -24.301 0.421 1.00 28.08 N ATOM 675 CA THR A 68 35.536 -24.900 -0.493 1.00 27.45 C ATOM 676 C THR A 68 34.836 -25.795 -1.460 1.00 26.40 C ATOM 677 O THR A 68 35.190 -25.849 -2.614 1.00 23.59 O ATOM 678 CB THR A 68 36.669 -25.768 0.182 1.00 30.91 C ATOM 679 OG1 THR A 68 36.101 -26.886 0.852 1.00 29.06 O ATOM 680 CG2 THR A 68 37.482 -24.916 1.172 1.00 32.10 C ATOM 681 HG1 THR A 68 35.610 -27.446 0.200 1.00 0.00 H ATOM 682 H THR A 68 34.595 -24.533 1.434 1.00 0.00 H ATOM 683 N GLU A 69 33.782 -26.469 -1.013 1.00 28.27 N ATOM 684 CA GLU A 69 33.070 -27.372 -1.932 1.00 26.91 C ATOM 685 C GLU A 69 31.969 -26.710 -2.742 1.00 27.71 C ATOM 686 O GLU A 69 31.233 -25.826 -2.268 1.00 26.05 O ATOM 687 CB GLU A 69 32.490 -28.587 -1.186 1.00 27.17 C ATOM 688 CG GLU A 69 33.486 -29.337 -0.316 1.00 26.27 C ATOM 689 CD GLU A 69 34.732 -29.669 -1.096 1.00 27.71 C ATOM 690 OE1 GLU A 69 34.597 -30.469 -2.059 1.00 29.87 O ATOM 691 OE2 GLU A 69 35.782 -29.030 -0.804 1.00 29.59 O ATOM 692 H GLU A 69 33.465 -26.360 -0.029 1.00 0.00 H ATOM 693 N GLN A 70 31.849 -27.216 -3.964 1.00 24.89 N ATOM 694 CA GLN A 70 30.780 -26.915 -4.830 1.00 28.21 C ATOM 695 C GLN A 70 29.493 -27.468 -4.244 1.00 28.86 C ATOM 696 O GLN A 70 29.509 -28.583 -3.733 1.00 25.15 O ATOM 697 CB GLN A 70 31.013 -27.589 -6.194 1.00 29.61 C ATOM 698 CG GLN A 70 29.850 -27.365 -7.161 1.00 27.39 C ATOM 699 CD GLN A 70 30.242 -27.581 -8.592 1.00 28.97 C ATOM 700 OE1 GLN A 70 31.184 -26.919 -9.105 1.00 27.44 O ATOM 701 NE2 GLN A 70 29.583 -28.571 -9.247 1.00 27.25 N ATOM 702 HE22 GLN A 70 28.812 -29.085 -8.774 1.00 0.00 H ATOM 703 HE21 GLN A 70 29.849 -28.816 -10.222 1.00 0.00 H ATOM 704 H GLN A 70 32.585 -27.870 -4.300 1.00 0.00 H ATOM 705 N MET A 71 28.394 -26.690 -4.303 1.00 27.13 N ATOM 706 CA MET A 71 27.076 -27.252 -3.967 1.00 28.87 C ATOM 707 C MET A 71 26.113 -26.939 -5.079 1.00 29.40 C ATOM 708 O MET A 71 26.136 -25.863 -5.666 1.00 33.70 O ATOM 709 CB MET A 71 26.520 -26.692 -2.656 1.00 29.38 C ATOM 710 CG MET A 71 27.228 -27.109 -1.389 1.00 29.95 C ATOM 711 SD MET A 71 26.456 -26.464 0.121 1.00 34.47 S ATOM 712 CE MET A 71 27.442 -25.066 0.409 1.00 30.26 C ATOM 713 H MET A 71 28.477 -25.693 -4.586 1.00 0.00 H ATOM 714 N GLU A 72 25.238 -27.893 -5.324 1.00 34.98 N ATOM 715 CA GLU A 72 24.309 -27.825 -6.424 1.00 35.97 C ATOM 716 C GLU A 72 23.106 -26.974 -5.996 1.00 37.44 C ATOM 717 O GLU A 72 22.614 -26.198 -6.767 1.00 39.74 O ATOM 718 CB GLU A 72 23.843 -29.233 -6.847 1.00 38.94 C ATOM 719 CG GLU A 72 24.958 -30.276 -7.066 1.00 58.42 C ATOM 720 CD GLU A 72 25.907 -29.939 -8.239 1.00 64.61 C ATOM 721 OE1 GLU A 72 27.167 -29.877 -8.015 1.00 53.69 O ATOM 722 OE2 GLU A 72 25.373 -29.745 -9.378 1.00 70.58 O ATOM 723 H GLU A 72 25.217 -28.725 -4.701 1.00 0.00 H ATOM 724 N LYS A 73 22.601 -27.199 -4.786 1.00 38.29 N ATOM 725 CA LYS A 73 21.391 -26.557 -4.323 1.00 39.64 C ATOM 726 C LYS A 73 21.469 -26.347 -2.807 1.00 32.88 C ATOM 727 O LYS A 73 20.899 -27.057 -2.026 1.00 33.20 O ATOM 728 CB LYS A 73 20.186 -27.392 -4.704 1.00 42.43 C ATOM 729 CG LYS A 73 18.888 -26.687 -4.373 1.00 51.90 C ATOM 730 CD LYS A 73 17.713 -27.527 -4.853 1.00 63.62 C ATOM 731 CE LYS A 73 16.442 -26.715 -4.849 1.00 70.02 C ATOM 732 NZ LYS A 73 15.285 -27.474 -5.388 1.00 80.45 N ATOM 733 HZ1 LYS A 73 15.484 -27.756 -6.369 1.00 0.00 H ATOM 734 HZ2 LYS A 73 15.127 -28.322 -4.807 1.00 0.00 H ATOM 735 HZ3 LYS A 73 14.436 -26.873 -5.364 1.00 0.00 H ATOM 736 H LYS A 73 23.093 -27.859 -4.151 1.00 0.00 H ATOM 737 N PHE A 74 22.228 -25.364 -2.423 1.00 30.55 N ATOM 738 CA PHE A 74 22.409 -25.082 -1.050 1.00 30.62 C ATOM 739 C PHE A 74 21.128 -24.464 -0.541 1.00 29.33 C ATOM 740 O PHE A 74 20.593 -23.551 -1.169 1.00 29.66 O ATOM 741 CB PHE A 74 23.563 -24.110 -0.903 1.00 27.99 C ATOM 742 CG PHE A 74 23.759 -23.586 0.485 1.00 28.12 C ATOM 743 CD1 PHE A 74 23.705 -24.432 1.579 1.00 32.18 C ATOM 744 CD2 PHE A 74 24.056 -22.258 0.691 1.00 27.44 C ATOM 745 CE1 PHE A 74 23.927 -23.961 2.837 1.00 31.07 C ATOM 746 CE2 PHE A 74 24.288 -21.776 1.955 1.00 30.68 C ATOM 747 CZ PHE A 74 24.198 -22.629 3.037 1.00 31.82 C ATOM 748 H PHE A 74 22.708 -24.778 -3.135 1.00 0.00 H ATOM 749 N ARG A 75 20.628 -25.003 0.571 1.00 29.98 N ATOM 750 CA ARG A 75 19.374 -24.540 1.137 1.00 31.33 C ATOM 751 C ARG A 75 19.347 -24.814 2.641 1.00 31.22 C ATOM 752 O ARG A 75 20.163 -25.604 3.164 1.00 32.25 O ATOM 753 CB ARG A 75 18.216 -25.202 0.389 1.00 31.40 C ATOM 754 CG ARG A 75 17.971 -26.610 0.794 1.00 31.15 C ATOM 755 CD ARG A 75 16.868 -27.218 -0.087 1.00 31.11 C ATOM 756 NE ARG A 75 16.752 -28.610 0.262 1.00 28.85 N ATOM 757 CZ ARG A 75 16.121 -29.096 1.312 1.00 32.09 C ATOM 758 NH1 ARG A 75 15.445 -28.349 2.182 1.00 37.63 N ATOM 759 NH2 ARG A 75 16.157 -30.370 1.509 1.00 31.15 N ATOM 760 HE ARG A 75 17.208 -29.295 -0.373 1.00 0.00 H ATOM 761 HH12 ARG A 75 14.968 -28.796 2.991 1.00 0.00 H ATOM 762 HH11 ARG A 75 15.393 -27.318 2.053 1.00 0.00 H ATOM 763 HH22 ARG A 75 15.669 -30.783 2.329 1.00 0.00 H ATOM 764 HH21 ARG A 75 16.674 -30.984 0.848 1.00 0.00 H ATOM 765 H ARG A 75 21.147 -25.771 1.043 1.00 0.00 H ATOM 766 N LEU A 76 18.459 -24.111 3.327 1.00 31.33 N ATOM 767 CA LEU A 76 18.236 -24.288 4.765 1.00 32.86 C ATOM 768 C LEU A 76 16.810 -24.627 5.099 1.00 31.17 C ATOM 769 O LEU A 76 15.882 -24.147 4.457 1.00 35.52 O ATOM 770 CB LEU A 76 18.539 -22.985 5.518 1.00 33.69 C ATOM 771 CG LEU A 76 19.872 -22.292 5.249 1.00 36.63 C ATOM 772 CD1 LEU A 76 19.923 -20.912 5.901 1.00 38.28 C ATOM 773 CD2 LEU A 76 21.037 -23.142 5.720 1.00 36.56 C ATOM 774 H LEU A 76 17.893 -23.400 2.822 1.00 0.00 H ATOM 775 N GLU A 77 16.647 -25.392 6.159 1.00 30.08 N ATOM 776 CA GLU A 77 15.362 -25.553 6.822 1.00 32.24 C ATOM 777 C GLU A 77 15.562 -25.079 8.248 1.00 32.76 C ATOM 778 O GLU A 77 16.461 -25.563 8.958 1.00 32.92 O ATOM 779 CB GLU A 77 14.938 -27.022 6.844 1.00 32.45 C ATOM 780 CG GLU A 77 14.550 -27.596 5.500 1.00 34.89 C ATOM 781 CD GLU A 77 14.142 -29.105 5.539 1.00 33.92 C ATOM 782 OE1 GLU A 77 14.063 -29.764 6.632 1.00 33.76 O ATOM 783 OE2 GLU A 77 13.934 -29.627 4.441 1.00 35.20 O ATOM 784 H GLU A 77 17.471 -25.902 6.537 1.00 0.00 H ATOM 785 N GLN A 78 14.726 -24.143 8.677 1.00 31.49 N ATOM 786 CA GLN A 78 14.841 -23.615 10.009 1.00 32.74 C ATOM 787 C GLN A 78 13.541 -23.744 10.769 1.00 33.39 C ATOM 788 O GLN A 78 12.473 -23.510 10.209 1.00 36.00 O ATOM 789 CB GLN A 78 15.277 -22.186 9.969 1.00 34.62 C ATOM 790 CG GLN A 78 16.582 -22.008 9.310 1.00 36.88 C ATOM 791 CD GLN A 78 17.022 -20.585 9.341 1.00 40.66 C ATOM 792 OE1 GLN A 78 16.549 -19.771 8.556 1.00 44.24 O ATOM 793 NE2 GLN A 78 17.945 -20.267 10.236 1.00 42.86 N ATOM 794 HE22 GLN A 78 18.316 -20.994 10.881 1.00 0.00 H ATOM 795 HE21 GLN A 78 18.299 -19.291 10.294 1.00 0.00 H ATOM 796 H GLN A 78 13.981 -23.788 8.044 1.00 0.00 H ATOM 797 N LYS A 79 13.651 -24.129 12.041 1.00 32.43 N ATOM 798 CA LYS A 79 12.518 -24.301 12.937 1.00 31.99 C ATOM 799 C LYS A 79 12.685 -23.537 14.231 1.00 37.02 C ATOM 800 O LYS A 79 13.775 -23.564 14.822 1.00 34.31 O ATOM 801 CB LYS A 79 12.331 -25.759 13.298 1.00 31.06 C ATOM 802 CG LYS A 79 11.754 -26.589 12.173 1.00 32.59 C ATOM 803 CD LYS A 79 11.697 -28.047 12.554 1.00 35.52 C ATOM 804 CE LYS A 79 10.923 -28.815 11.509 1.00 40.76 C ATOM 805 NZ LYS A 79 10.977 -30.272 11.804 1.00 42.93 N ATOM 806 HZ1 LYS A 79 11.967 -30.589 11.799 1.00 0.00 H ATOM 807 HZ2 LYS A 79 10.560 -30.451 12.740 1.00 0.00 H ATOM 808 HZ3 LYS A 79 10.442 -30.791 11.079 1.00 0.00 H ATOM 809 H LYS A 79 14.603 -24.317 12.415 1.00 0.00 H ATOM 810 N VAL A 80 11.597 -22.850 14.659 1.00 36.06 N ATOM 811 CA VAL A 80 11.501 -22.295 15.973 1.00 35.17 C ATOM 812 C VAL A 80 10.860 -23.314 16.928 1.00 34.04 C ATOM 813 O VAL A 80 9.738 -23.792 16.698 1.00 28.85 O ATOM 814 CB VAL A 80 10.663 -21.011 16.024 1.00 40.28 C ATOM 815 CG1 VAL A 80 10.564 -20.527 17.464 1.00 41.17 C ATOM 816 CG2 VAL A 80 11.283 -19.915 15.209 1.00 41.54 C ATOM 817 H VAL A 80 10.799 -22.722 14.004 1.00 0.00 H ATOM 818 N TYR A 81 11.559 -23.583 18.030 1.00 27.61 N ATOM 819 CA TYR A 81 11.111 -24.493 19.057 1.00 28.15 C ATOM 820 C TYR A 81 10.964 -23.729 20.348 1.00 29.95 C ATOM 821 O TYR A 81 11.886 -22.997 20.767 1.00 28.75 O ATOM 822 CB TYR A 81 12.124 -25.636 19.271 1.00 31.33 C ATOM 823 CG TYR A 81 12.056 -26.745 18.268 1.00 32.98 C ATOM 824 CD1 TYR A 81 11.094 -27.769 18.388 1.00 37.48 C ATOM 825 CD2 TYR A 81 12.927 -26.799 17.214 1.00 32.84 C ATOM 826 CE1 TYR A 81 11.047 -28.820 17.492 1.00 35.48 C ATOM 827 CE2 TYR A 81 12.876 -27.838 16.280 1.00 36.52 C ATOM 828 CZ TYR A 81 11.939 -28.837 16.424 1.00 39.16 C ATOM 829 OH TYR A 81 11.903 -29.858 15.515 1.00 45.61 O ATOM 830 HH TYR A 81 11.179 -30.489 15.757 1.00 0.00 H ATOM 831 H TYR A 81 12.477 -23.112 18.157 1.00 0.00 H ATOM 832 N PHE A 82 9.806 -23.896 20.992 1.00 26.31 N ATOM 833 CA PHE A 82 9.551 -23.325 22.288 1.00 27.27 C ATOM 834 C PHE A 82 9.273 -24.453 23.233 1.00 30.69 C ATOM 835 O PHE A 82 8.318 -25.218 23.055 1.00 29.42 O ATOM 836 CB PHE A 82 8.387 -22.320 22.238 1.00 26.55 C ATOM 837 CG PHE A 82 7.893 -21.906 23.594 1.00 25.28 C ATOM 838 CD1 PHE A 82 8.548 -20.892 24.314 1.00 25.85 C ATOM 839 CD2 PHE A 82 6.786 -22.536 24.158 1.00 24.31 C ATOM 840 CE1 PHE A 82 8.101 -20.520 25.582 1.00 25.19 C ATOM 841 CE2 PHE A 82 6.313 -22.174 25.407 1.00 26.11 C ATOM 842 CZ PHE A 82 6.969 -21.149 26.128 1.00 26.49 C ATOM 843 H PHE A 82 9.059 -24.461 20.539 1.00 0.00 H ATOM 844 N LYS A 83 10.125 -24.555 24.224 1.00 33.26 N ATOM 845 CA LYS A 83 10.133 -25.665 25.157 1.00 37.61 C ATOM 846 C LYS A 83 9.999 -27.001 24.434 1.00 37.41 C ATOM 847 O LYS A 83 9.289 -27.885 24.920 1.00 30.88 O ATOM 848 CB LYS A 83 9.020 -25.503 26.222 1.00 37.10 C ATOM 849 CG LYS A 83 9.153 -24.241 27.078 1.00 34.58 C ATOM 850 CD LYS A 83 8.283 -24.294 28.337 1.00 35.90 C ATOM 851 CE LYS A 83 8.333 -22.974 29.096 1.00 35.17 C ATOM 852 NZ LYS A 83 7.494 -22.966 30.314 1.00 33.17 N ATOM 853 HZ1 LYS A 83 6.503 -23.139 30.052 1.00 0.00 H ATOM 854 HZ2 LYS A 83 7.818 -23.712 30.962 1.00 0.00 H ATOM 855 HZ3 LYS A 83 7.573 -22.041 30.782 1.00 0.00 H ATOM 856 H LYS A 83 10.831 -23.801 24.347 1.00 0.00 H ATOM 857 N GLY A 84 10.730 -27.177 23.330 1.00 36.27 N ATOM 858 CA GLY A 84 10.710 -28.485 22.637 1.00 38.34 C ATOM 859 C GLY A 84 9.580 -28.627 21.625 1.00 38.57 C ATOM 860 O GLY A 84 9.536 -29.557 20.847 1.00 42.31 O ATOM 861 H GLY A 84 11.311 -26.398 22.959 1.00 0.00 H ATOM 862 N GLN A 85 8.657 -27.687 21.580 1.00 41.12 N ATOM 863 CA GLN A 85 7.603 -27.727 20.551 1.00 36.72 C ATOM 864 C GLN A 85 7.785 -26.772 19.332 1.00 34.37 C ATOM 865 O GLN A 85 8.006 -25.557 19.527 1.00 38.24 O ATOM 866 CB GLN A 85 6.308 -27.366 21.270 1.00 39.09 C ATOM 867 CG GLN A 85 5.149 -27.269 20.314 1.00 44.78 C ATOM 868 CD GLN A 85 3.825 -27.123 21.038 1.00 49.73 C ATOM 869 OE1 GLN A 85 3.648 -27.561 22.172 1.00 54.96 O ATOM 870 NE2 GLN A 85 2.899 -26.505 20.381 1.00 43.47 N ATOM 871 HE22 GLN A 85 3.090 -26.150 19.423 1.00 0.00 H ATOM 872 HE21 GLN A 85 1.963 -26.363 20.811 1.00 0.00 H ATOM 873 H GLN A 85 8.673 -26.913 22.274 1.00 0.00 H ATOM 874 N CYS A 86 7.583 -27.256 18.088 1.00 32.78 N ATOM 875 CA CYS A 86 7.763 -26.436 16.879 1.00 34.81 C ATOM 876 C CYS A 86 6.608 -25.467 16.679 1.00 35.30 C ATOM 877 O CYS A 86 5.481 -25.835 16.603 1.00 43.55 O ATOM 878 CB CYS A 86 8.067 -27.289 15.597 1.00 37.74 C ATOM 879 SG CYS A 86 8.359 -26.283 14.129 1.00 44.46 S ATOM 880 H CYS A 86 7.289 -28.248 17.980 1.00 0.00 H ATOM 881 N LEU A 87 6.898 -24.193 16.631 1.00 38.42 N ATOM 882 CA LEU A 87 5.886 -23.178 16.405 1.00 40.52 C ATOM 883 C LEU A 87 5.893 -22.620 14.976 1.00 46.30 C ATOM 884 O LEU A 87 4.953 -21.936 14.584 1.00 41.66 O ATOM 885 CB LEU A 87 6.153 -21.983 17.284 1.00 35.94 C ATOM 886 CG LEU A 87 6.355 -22.184 18.778 1.00 36.92 C ATOM 887 CD1 LEU A 87 6.537 -20.818 19.375 1.00 39.83 C ATOM 888 CD2 LEU A 87 5.250 -22.942 19.465 1.00 41.57 C ATOM 889 H LEU A 87 7.887 -23.897 16.759 1.00 0.00 H ATOM 890 N GLU A 88 6.978 -22.840 14.233 1.00 43.21 N ATOM 891 CA GLU A 88 7.155 -22.177 12.960 1.00 41.97 C ATOM 892 C GLU A 88 8.354 -22.807 12.259 1.00 45.21 C ATOM 893 O GLU A 88 9.303 -23.262 12.952 1.00 36.59 O ATOM 894 CB GLU A 88 7.383 -20.674 13.164 1.00 47.35 C ATOM 895 CG GLU A 88 7.294 -19.962 11.848 1.00 53.12 C ATOM 896 CD GLU A 88 7.192 -18.461 11.970 1.00 68.81 C ATOM 897 OE1 GLU A 88 6.854 -17.848 10.925 1.00 69.97 O ATOM 898 OE2 GLU A 88 7.480 -17.904 13.068 1.00 66.54 O ATOM 899 H GLU A 88 7.708 -23.498 14.574 1.00 0.00 H ATOM 900 N GLU A 89 8.279 -22.849 10.913 1.00 41.93 N ATOM 901 CA GLU A 89 9.281 -23.449 10.019 1.00 44.47 C ATOM 902 C GLU A 89 9.447 -22.568 8.798 1.00 45.07 C ATOM 903 O GLU A 89 8.457 -22.036 8.277 1.00 37.22 O ATOM 904 CB GLU A 89 8.898 -24.859 9.547 1.00 47.95 C ATOM 905 CG GLU A 89 9.996 -25.539 8.671 1.00 54.67 C ATOM 906 CD GLU A 89 9.859 -27.052 8.549 1.00 50.85 C ATOM 907 OE1 GLU A 89 8.806 -27.540 8.877 1.00 53.44 O ATOM 908 OE2 GLU A 89 10.799 -27.782 8.149 1.00 57.37 O ATOM 909 H GLU A 89 7.441 -22.421 10.470 1.00 0.00 H ATOM 910 N TRP A 90 10.694 -22.413 8.344 1.00 38.09 N ATOM 911 CA TRP A 90 10.992 -21.765 7.035 1.00 38.08 C ATOM 912 C TRP A 90 11.895 -22.601 6.155 1.00 35.28 C ATOM 913 O TRP A 90 12.707 -23.360 6.648 1.00 33.43 O ATOM 914 CB TRP A 90 11.714 -20.450 7.196 1.00 39.30 C ATOM 915 CG TRP A 90 11.013 -19.446 7.982 1.00 48.24 C ATOM 916 CD1 TRP A 90 10.205 -18.419 7.521 1.00 52.89 C ATOM 917 CD2 TRP A 90 11.072 -19.307 9.387 1.00 49.16 C ATOM 918 NE1 TRP A 90 9.744 -17.672 8.583 1.00 49.87 N ATOM 919 CE2 TRP A 90 10.260 -18.203 9.739 1.00 54.76 C ATOM 920 CE3 TRP A 90 11.738 -20.001 10.389 1.00 51.39 C ATOM 921 CZ2 TRP A 90 10.122 -17.781 11.062 1.00 58.73 C ATOM 922 CZ3 TRP A 90 11.592 -19.598 11.688 1.00 59.26 C ATOM 923 CH2 TRP A 90 10.797 -18.490 12.021 1.00 58.74 C ATOM 924 HE1 TRP A 90 9.113 -16.847 8.520 1.00 0.00 H ATOM 925 H TRP A 90 11.485 -22.757 8.925 1.00 0.00 H ATOM 926 N PHE A 91 11.797 -22.382 4.858 1.00 35.11 N ATOM 927 CA PHE A 91 12.655 -22.996 3.852 1.00 35.44 C ATOM 928 C PHE A 91 13.253 -21.832 3.077 1.00 36.34 C ATOM 929 O PHE A 91 12.560 -20.901 2.739 1.00 37.08 O ATOM 930 CB PHE A 91 11.845 -23.935 2.947 1.00 36.55 C ATOM 931 CG PHE A 91 11.103 -25.018 3.712 1.00 35.40 C ATOM 932 CD1 PHE A 91 9.900 -24.748 4.340 1.00 37.01 C ATOM 933 CD2 PHE A 91 11.649 -26.294 3.858 1.00 39.12 C ATOM 934 CE1 PHE A 91 9.272 -25.733 5.094 1.00 39.27 C ATOM 935 CE2 PHE A 91 11.012 -27.298 4.584 1.00 38.08 C ATOM 936 CZ PHE A 91 9.813 -27.028 5.202 1.00 38.22 C ATOM 937 H PHE A 91 11.058 -21.727 4.531 1.00 0.00 H ATOM 938 N PHE A 92 14.557 -21.845 2.869 1.00 31.22 N ATOM 939 CA PHE A 92 15.188 -20.859 2.036 1.00 31.88 C ATOM 940 C PHE A 92 16.169 -21.555 1.104 1.00 32.98 C ATOM 941 O PHE A 92 16.885 -22.455 1.524 1.00 32.83 O ATOM 942 CB PHE A 92 16.003 -19.876 2.880 1.00 29.90 C ATOM 943 CG PHE A 92 15.194 -19.092 3.867 1.00 35.25 C ATOM 944 CD1 PHE A 92 14.433 -18.011 3.444 1.00 37.67 C ATOM 945 CD2 PHE A 92 15.202 -19.426 5.213 1.00 33.20 C ATOM 946 CE1 PHE A 92 13.689 -17.291 4.356 1.00 42.46 C ATOM 947 CE2 PHE A 92 14.450 -18.718 6.117 1.00 34.97 C ATOM 948 CZ PHE A 92 13.708 -17.645 5.691 1.00 41.12 C ATOM 949 H PHE A 92 15.138 -22.583 3.316 1.00 0.00 H ATOM 950 N GLU A 93 16.231 -21.094 -0.134 1.00 35.16 N ATOM 951 CA GLU A 93 17.037 -21.685 -1.131 1.00 36.24 C ATOM 952 C GLU A 93 18.082 -20.662 -1.593 1.00 36.85 C ATOM 953 O GLU A 93 17.748 -19.562 -1.966 1.00 30.60 O ATOM 954 CB GLU A 93 16.219 -22.194 -2.292 1.00 42.88 C ATOM 955 CG GLU A 93 17.142 -22.728 -3.405 1.00 50.63 C ATOM 956 CD GLU A 93 16.436 -23.371 -4.607 1.00 57.61 C ATOM 957 OE1 GLU A 93 16.963 -23.219 -5.740 1.00 63.65 O ATOM 958 OE2 GLU A 93 15.398 -24.048 -4.423 1.00 52.15 O ATOM 959 H GLU A 93 15.662 -20.260 -0.384 1.00 0.00 H ATOM 960 N PHE A 94 19.359 -21.024 -1.503 1.00 34.27 N ATOM 961 CA PHE A 94 20.423 -20.200 -2.097 1.00 33.10 C ATOM 962 C PHE A 94 20.666 -20.685 -3.507 1.00 33.03 C ATOM 963 O PHE A 94 20.780 -19.901 -4.380 1.00 32.62 O ATOM 964 CB PHE A 94 21.725 -20.319 -1.316 1.00 32.42 C ATOM 965 CG PHE A 94 22.864 -19.528 -1.929 1.00 33.95 C ATOM 966 CD1 PHE A 94 23.001 -18.180 -1.646 1.00 33.77 C ATOM 967 CD2 PHE A 94 23.760 -20.122 -2.813 1.00 31.66 C ATOM 968 CE1 PHE A 94 23.998 -17.408 -2.218 1.00 34.36 C ATOM 969 CE2 PHE A 94 24.762 -19.366 -3.389 1.00 33.74 C ATOM 970 CZ PHE A 94 24.899 -18.012 -3.068 1.00 37.61 C ATOM 971 H PHE A 94 19.609 -21.902 -1.005 1.00 0.00 H ATOM 972 N GLY A 95 20.799 -22.003 -3.706 1.00 33.16 N ATOM 973 CA GLY A 95 21.099 -22.559 -5.050 1.00 33.72 C ATOM 974 C GLY A 95 22.578 -22.966 -5.173 1.00 34.40 C ATOM 975 O GLY A 95 23.189 -23.496 -4.239 1.00 32.95 O ATOM 976 H GLY A 95 20.690 -22.652 -2.901 1.00 0.00 H ATOM 977 N PHE A 96 23.131 -22.695 -6.333 1.00 31.97 N ATOM 978 CA PHE A 96 24.368 -23.220 -6.749 1.00 33.69 C ATOM 979 C PHE A 96 25.459 -22.416 -6.071 1.00 33.30 C ATOM 980 O PHE A 96 25.370 -21.205 -5.934 1.00 31.01 O ATOM 981 CB PHE A 96 24.513 -23.161 -8.295 1.00 34.49 C ATOM 982 CG PHE A 96 25.887 -23.635 -8.788 1.00 34.74 C ATOM 983 CD1 PHE A 96 26.179 -24.991 -8.911 1.00 38.33 C ATOM 984 CD2 PHE A 96 26.888 -22.732 -9.080 1.00 33.89 C ATOM 985 CE1 PHE A 96 27.454 -25.432 -9.341 1.00 34.78 C ATOM 986 CE2 PHE A 96 28.144 -23.166 -9.542 1.00 33.30 C ATOM 987 CZ PHE A 96 28.418 -24.511 -9.636 1.00 30.03 C ATOM 988 H PHE A 96 22.626 -22.056 -6.980 1.00 0.00 H ATOM 989 N VAL A 97 26.479 -23.105 -5.607 1.00 30.67 N ATOM 990 CA VAL A 97 27.605 -22.447 -4.953 1.00 28.86 C ATOM 991 C VAL A 97 28.871 -22.892 -5.622 1.00 28.56 C ATOM 992 O VAL A 97 29.152 -24.110 -5.715 1.00 29.38 O ATOM 993 CB VAL A 97 27.671 -22.870 -3.438 1.00 29.20 C ATOM 994 CG1 VAL A 97 28.900 -22.296 -2.720 1.00 25.27 C ATOM 995 CG2 VAL A 97 26.364 -22.434 -2.749 1.00 31.25 C ATOM 996 H VAL A 97 26.483 -24.140 -5.708 1.00 0.00 H ATOM 997 N ILE A 98 29.641 -21.914 -6.052 1.00 31.72 N ATOM 998 CA ILE A 98 30.928 -22.128 -6.715 1.00 31.16 C ATOM 999 C ILE A 98 31.950 -22.607 -5.665 1.00 28.37 C ATOM 1000 O ILE A 98 32.068 -22.003 -4.620 1.00 28.22 O ATOM 1001 CB ILE A 98 31.431 -20.780 -7.283 1.00 34.99 C ATOM 1002 CG1 ILE A 98 30.753 -20.443 -8.598 1.00 44.12 C ATOM 1003 CG2 ILE A 98 32.953 -20.736 -7.505 1.00 37.03 C ATOM 1004 CD1 ILE A 98 30.620 -18.930 -8.822 1.00 50.04 C ATOM 1005 H ILE A 98 29.317 -20.936 -5.913 1.00 0.00 H ATOM 1006 N PRO A 99 32.704 -23.661 -5.947 1.00 25.90 N ATOM 1007 CA PRO A 99 33.761 -24.103 -5.030 1.00 26.60 C ATOM 1008 C PRO A 99 34.740 -22.958 -4.743 1.00 27.18 C ATOM 1009 O PRO A 99 35.086 -22.266 -5.675 1.00 29.22 O ATOM 1010 CB PRO A 99 34.502 -25.167 -5.845 1.00 27.80 C ATOM 1011 CG PRO A 99 34.124 -24.944 -7.317 1.00 26.72 C ATOM 1012 CD PRO A 99 32.742 -24.388 -7.227 1.00 28.49 C ATOM 1013 N ASN A 100 35.138 -22.780 -3.481 1.00 27.32 N ATOM 1014 CA ASN A 100 36.067 -21.755 -3.027 1.00 33.42 C ATOM 1015 C ASN A 100 35.570 -20.318 -3.197 1.00 34.42 C ATOM 1016 O ASN A 100 36.377 -19.415 -3.354 1.00 36.17 O ATOM 1017 CB ASN A 100 37.433 -21.910 -3.744 1.00 34.67 C ATOM 1018 CG ASN A 100 38.095 -23.271 -3.464 1.00 34.74 C ATOM 1019 OD1 ASN A 100 38.293 -24.078 -4.370 1.00 36.74 O ATOM 1020 ND2 ASN A 100 38.357 -23.540 -2.221 1.00 33.19 N ATOM 1021 HD22 ASN A 100 38.174 -22.828 -1.485 1.00 0.00 H ATOM 1022 HD21 ASN A 100 38.750 -24.467 -1.961 1.00 0.00 H ATOM 1023 H ASN A 100 34.753 -23.427 -2.763 1.00 0.00 H ATOM 1024 N SER A 101 34.259 -20.124 -3.164 1.00 31.87 N ATOM 1025 CA SER A 101 33.657 -18.809 -3.184 1.00 32.07 C ATOM 1026 C SER A 101 33.267 -18.360 -1.767 1.00 34.42 C ATOM 1027 O SER A 101 33.129 -19.158 -0.815 1.00 32.93 O ATOM 1028 CB SER A 101 32.409 -18.796 -4.049 1.00 30.55 C ATOM 1029 OG SER A 101 31.445 -19.697 -3.499 1.00 31.21 O ATOM 1030 HG SER A 101 31.824 -20.611 -3.477 1.00 0.00 H ATOM 1031 H SER A 101 33.635 -20.955 -3.122 1.00 0.00 H ATOM 1032 N THR A 102 33.144 -17.058 -1.653 1.00 30.99 N ATOM 1033 CA THR A 102 32.575 -16.393 -0.525 1.00 31.79 C ATOM 1034 C THR A 102 31.351 -15.640 -1.059 1.00 34.19 C ATOM 1035 O THR A 102 31.401 -15.038 -2.130 1.00 35.29 O ATOM 1036 CB THR A 102 33.642 -15.465 0.063 1.00 33.32 C ATOM 1037 OG1 THR A 102 34.603 -16.283 0.692 1.00 36.06 O ATOM 1038 CG2 THR A 102 33.085 -14.558 1.106 1.00 32.35 C ATOM 1039 HG1 THR A 102 34.168 -16.812 1.407 1.00 0.00 H ATOM 1040 H THR A 102 33.485 -16.470 -2.440 1.00 0.00 H ATOM 1041 N ASN A 103 30.229 -15.752 -0.354 1.00 33.89 N ATOM 1042 CA ASN A 103 28.953 -15.296 -0.861 1.00 31.64 C ATOM 1043 C ASN A 103 28.158 -14.593 0.234 1.00 37.74 C ATOM 1044 O ASN A 103 28.254 -14.963 1.433 1.00 36.69 O ATOM 1045 CB ASN A 103 28.135 -16.476 -1.349 1.00 31.76 C ATOM 1046 CG ASN A 103 28.889 -17.362 -2.312 1.00 33.44 C ATOM 1047 OD1 ASN A 103 28.765 -17.229 -3.525 1.00 39.72 O ATOM 1048 ND2 ASN A 103 29.661 -18.283 -1.773 1.00 32.31 N ATOM 1049 HD22 ASN A 103 29.735 -18.359 -0.738 1.00 0.00 H ATOM 1050 HD21 ASN A 103 30.196 -18.934 -2.382 1.00 0.00 H ATOM 1051 H ASN A 103 30.270 -16.181 0.592 1.00 0.00 H ATOM 1052 N THR A 104 27.351 -13.613 -0.188 1.00 37.09 N ATOM 1053 CA THR A 104 26.459 -12.862 0.702 1.00 36.42 C ATOM 1054 C THR A 104 25.074 -13.168 0.290 1.00 34.60 C ATOM 1055 O THR A 104 24.731 -12.940 -0.831 1.00 35.67 O ATOM 1056 CB THR A 104 26.705 -11.355 0.613 1.00 38.11 C ATOM 1057 OG1 THR A 104 27.901 -11.101 1.312 1.00 38.09 O ATOM 1058 CG2 THR A 104 25.593 -10.546 1.295 1.00 38.99 C ATOM 1059 HG1 THR A 104 28.101 -10.132 1.281 1.00 0.00 H ATOM 1060 H THR A 104 27.356 -13.371 -1.199 1.00 0.00 H ATOM 1061 N TRP A 105 24.294 -13.718 1.197 1.00 33.70 N ATOM 1062 CA TRP A 105 22.963 -14.172 0.876 1.00 38.92 C ATOM 1063 C TRP A 105 21.920 -13.339 1.626 1.00 40.51 C ATOM 1064 O TRP A 105 21.979 -13.198 2.853 1.00 38.56 O ATOM 1065 CB TRP A 105 22.857 -15.611 1.328 1.00 37.21 C ATOM 1066 CG TRP A 105 21.559 -16.222 1.011 1.00 38.07 C ATOM 1067 CD1 TRP A 105 20.570 -15.716 0.212 1.00 35.04 C ATOM 1068 CD2 TRP A 105 21.111 -17.506 1.446 1.00 35.17 C ATOM 1069 NE1 TRP A 105 19.514 -16.607 0.169 1.00 35.84 N ATOM 1070 CE2 TRP A 105 19.824 -17.704 0.917 1.00 30.38 C ATOM 1071 CE3 TRP A 105 21.673 -18.499 2.243 1.00 35.19 C ATOM 1072 CZ2 TRP A 105 19.099 -18.850 1.142 1.00 35.90 C ATOM 1073 CZ3 TRP A 105 20.938 -19.645 2.477 1.00 36.35 C ATOM 1074 CH2 TRP A 105 19.654 -19.813 1.936 1.00 30.63 C ATOM 1075 HE1 TRP A 105 18.625 -16.463 -0.351 1.00 0.00 H ATOM 1076 H TRP A 105 24.646 -13.828 2.169 1.00 0.00 H ATOM 1077 N GLN A 106 20.999 -12.769 0.886 1.00 38.80 N ATOM 1078 CA GLN A 106 19.955 -11.984 1.457 1.00 43.87 C ATOM 1079 C GLN A 106 18.641 -12.753 1.461 1.00 40.35 C ATOM 1080 O GLN A 106 18.216 -13.286 0.428 1.00 38.72 O ATOM 1081 CB GLN A 106 19.789 -10.721 0.649 1.00 54.65 C ATOM 1082 CG GLN A 106 19.188 -9.569 1.444 1.00 70.86 C ATOM 1083 CD GLN A 106 19.956 -8.253 1.223 1.00 82.51 C ATOM 1084 OE1 GLN A 106 21.196 -8.236 1.117 1.00 78.65 O ATOM 1085 NE2 GLN A 106 19.216 -7.151 1.150 1.00 79.18 N ATOM 1086 HE22 GLN A 106 18.182 -7.212 1.244 1.00 0.00 H ATOM 1087 HE21 GLN A 106 19.671 -6.228 0.999 1.00 0.00 H ATOM 1088 H GLN A 106 21.031 -12.893 -0.146 1.00 0.00 H ATOM 1089 N SER A 107 17.991 -12.772 2.627 1.00 38.64 N ATOM 1090 CA SER A 107 16.712 -13.452 2.822 1.00 38.45 C ATOM 1091 C SER A 107 15.731 -12.598 3.626 1.00 39.15 C ATOM 1092 O SER A 107 16.129 -11.810 4.468 1.00 42.32 O ATOM 1093 CB SER A 107 16.907 -14.772 3.574 1.00 38.44 C ATOM 1094 OG SER A 107 17.554 -15.741 2.798 1.00 43.27 O ATOM 1095 HG SER A 107 18.447 -15.407 2.532 1.00 0.00 H ATOM 1096 H SER A 107 18.416 -12.278 3.437 1.00 0.00 H ATOM 1097 N LEU A 108 14.441 -12.802 3.380 1.00 40.04 N ATOM 1098 CA LEU A 108 13.392 -12.105 4.096 1.00 41.60 C ATOM 1099 C LEU A 108 12.606 -13.129 4.931 1.00 44.35 C ATOM 1100 O LEU A 108 12.028 -14.114 4.386 1.00 38.37 O ATOM 1101 CB LEU A 108 12.455 -11.431 3.092 1.00 48.08 C ATOM 1102 CG LEU A 108 11.117 -10.829 3.619 1.00 49.73 C ATOM 1103 CD1 LEU A 108 11.458 -9.602 4.451 1.00 47.93 C ATOM 1104 CD2 LEU A 108 10.197 -10.470 2.444 1.00 45.61 C ATOM 1105 H LEU A 108 14.174 -13.488 2.645 1.00 0.00 H ATOM 1106 N ILE A 109 12.564 -12.904 6.248 1.00 39.84 N ATOM 1107 CA ILE A 109 11.928 -13.857 7.137 1.00 43.15 C ATOM 1108 C ILE A 109 10.591 -13.297 7.616 1.00 41.96 C ATOM 1109 O ILE A 109 10.555 -12.300 8.338 1.00 42.45 O ATOM 1110 CB ILE A 109 12.834 -14.202 8.329 1.00 43.07 C ATOM 1111 CG1 ILE A 109 14.249 -14.564 7.835 1.00 41.94 C ATOM 1112 CG2 ILE A 109 12.173 -15.303 9.173 1.00 46.03 C ATOM 1113 CD1 ILE A 109 15.305 -14.707 8.933 1.00 39.93 C ATOM 1114 H ILE A 109 12.990 -12.039 6.638 1.00 0.00 H ATOM 1115 N SER A 110 9.504 -13.935 7.183 1.00 46.49 N ATOM 1116 CA SER A 110 8.136 -13.465 7.501 1.00 52.59 C ATOM 1117 C SER A 110 7.661 -14.111 8.782 1.00 55.95 C ATOM 1118 O SER A 110 7.846 -15.340 8.996 1.00 54.51 O ATOM 1119 CB SER A 110 7.136 -13.764 6.350 1.00 50.99 C ATOM 1120 OG SER A 110 7.385 -12.964 5.189 1.00 48.48 O ATOM 1121 HG SER A 110 6.725 -13.190 4.486 1.00 0.00 H ATOM 1122 H SER A 110 9.620 -14.790 6.603 1.00 0.00 H ATOM 1123 N ALA A 111 7.055 -13.297 9.650 1.00 61.85 N ATOM 1124 CA ALA A 111 6.287 -13.842 10.776 1.00 64.12 C ATOM 1125 C ALA A 111 4.985 -14.425 10.228 1.00 61.20 C ATOM 1126 O ALA A 111 4.282 -13.738 9.514 1.00 59.19 O ATOM 1127 CB ALA A 111 5.978 -12.766 11.804 1.00 64.13 C ATOM 1128 H ALA A 111 7.128 -12.267 9.527 1.00 0.00 H ATOM 1129 N ALA A 112 4.692 -15.680 10.580 1.00 59.67 N ATOM 1130 CA ALA A 112 3.369 -16.316 10.427 1.00 66.72 C ATOM 1131 C ALA A 112 2.246 -15.366 10.840 1.00 69.96 C ATOM 1132 O ALA A 112 2.173 -15.012 12.011 1.00 61.47 O ATOM 1133 CB ALA A 112 3.311 -17.567 11.298 1.00 69.29 C ATOM 1134 H ALA A 112 5.455 -16.253 10.994 1.00 0.00 H ATOM 1135 N PRO A 113 1.370 -14.943 9.888 1.00 82.08 N ATOM 1136 CA PRO A 113 0.374 -13.866 10.203 1.00 81.78 C ATOM 1137 C PRO A 113 -0.796 -14.288 11.143 1.00 76.90 C ATOM 1138 O PRO A 113 -1.292 -13.463 11.911 1.00 78.52 O ATOM 1139 CB PRO A 113 -0.151 -13.456 8.812 1.00 80.87 C ATOM 1140 CG PRO A 113 -0.003 -14.706 7.970 1.00 84.95 C ATOM 1141 CD PRO A 113 1.165 -15.506 8.530 1.00 85.77 C ATOM 1142 N GLU A 114 -1.186 -15.565 11.073 1.00 76.93 N ATOM 1143 CA GLU A 114 -2.277 -16.170 11.867 1.00 82.04 C ATOM 1144 C GLU A 114 -1.898 -16.595 13.315 1.00 77.06 C ATOM 1145 O GLU A 114 -2.760 -17.072 14.052 1.00 70.91 O ATOM 1146 CB GLU A 114 -2.923 -17.382 11.123 1.00 89.63 C ATOM 1147 CG GLU A 114 -2.167 -18.016 9.934 1.00 93.18 C ATOM 1148 CD GLU A 114 -0.797 -18.609 10.273 1.00 90.34 C ATOM 1149 OE1 GLU A 114 -0.639 -19.840 10.210 1.00 84.06 O ATOM 1150 OE2 GLU A 114 0.140 -17.847 10.577 1.00 92.22 O ATOM 1151 H GLU A 114 -0.681 -16.183 10.406 1.00 0.00 H ATOM 1152 N SER A 115 -0.628 -16.452 13.701 1.00 68.01 N ATOM 1153 CA SER A 115 -0.188 -16.609 15.105 1.00 61.50 C ATOM 1154 C SER A 115 -0.079 -15.271 15.838 1.00 52.87 C ATOM 1155 O SER A 115 0.074 -14.228 15.216 1.00 55.56 O ATOM 1156 CB SER A 115 1.190 -17.270 15.157 1.00 59.88 C ATOM 1157 OG SER A 115 1.104 -18.594 14.678 1.00 70.07 O ATOM 1158 HG SER A 115 1.999 -19.016 14.714 1.00 0.00 H ATOM 1159 H SER A 115 0.086 -16.219 12.981 1.00 0.00 H ATOM 1160 N GLN A 116 -0.134 -15.335 17.160 1.00 50.85 N ATOM 1161 CA GLN A 116 0.111 -14.190 18.056 1.00 52.03 C ATOM 1162 C GLN A 116 1.352 -14.498 18.936 1.00 46.43 C ATOM 1163 O GLN A 116 1.453 -15.548 19.569 1.00 43.98 O ATOM 1164 CB GLN A 116 -1.107 -13.900 18.970 1.00 55.32 C ATOM 1165 CG GLN A 116 -2.466 -13.655 18.293 1.00 63.90 C ATOM 1166 CD GLN A 116 -3.158 -14.956 17.866 1.00 73.54 C ATOM 1167 OE1 GLN A 116 -3.400 -15.861 18.688 1.00 75.35 O ATOM 1168 NE2 GLN A 116 -3.461 -15.071 16.571 1.00 72.46 N ATOM 1169 HE22 GLN A 116 -3.243 -14.294 15.915 1.00 0.00 H ATOM 1170 HE21 GLN A 116 -3.915 -15.938 16.218 1.00 0.00 H ATOM 1171 H GLN A 116 -0.365 -16.252 17.594 1.00 0.00 H ATOM 1172 N MET A 117 2.300 -13.595 18.964 1.00 40.68 N ATOM 1173 CA MET A 117 3.517 -13.828 19.699 1.00 45.05 C ATOM 1174 C MET A 117 3.261 -13.843 21.201 1.00 44.07 C ATOM 1175 O MET A 117 2.546 -12.969 21.724 1.00 39.82 O ATOM 1176 CB MET A 117 4.500 -12.704 19.390 1.00 50.89 C ATOM 1177 CG MET A 117 5.131 -12.878 18.017 1.00 56.34 C ATOM 1178 SD MET A 117 6.207 -14.344 17.933 1.00 54.51 S ATOM 1179 CE MET A 117 6.714 -14.028 16.244 1.00 57.00 C ATOM 1180 H MET A 117 2.173 -12.700 18.450 1.00 0.00 H ATOM 1181 N MET A 118 3.858 -14.822 21.887 1.00 35.89 N ATOM 1182 CA MET A 118 3.950 -14.782 23.344 1.00 34.79 C ATOM 1183 C MET A 118 4.865 -13.621 23.662 1.00 31.60 C ATOM 1184 O MET A 118 5.627 -13.162 22.813 1.00 30.83 O ATOM 1185 CB MET A 118 4.546 -16.044 23.885 1.00 33.74 C ATOM 1186 CG MET A 118 3.513 -17.118 24.065 1.00 35.12 C ATOM 1187 SD MET A 118 4.241 -18.671 24.683 1.00 34.76 S ATOM 1188 CE MET A 118 4.803 -19.193 23.069 1.00 28.91 C ATOM 1189 H MET A 118 4.265 -15.629 21.373 1.00 0.00 H ATOM 1190 N PRO A 119 4.797 -13.112 24.879 1.00 30.85 N ATOM 1191 CA PRO A 119 5.732 -12.029 25.247 1.00 29.45 C ATOM 1192 C PRO A 119 7.206 -12.517 25.417 1.00 29.52 C ATOM 1193 O PRO A 119 7.480 -13.692 25.780 1.00 26.10 O ATOM 1194 CB PRO A 119 5.246 -11.562 26.622 1.00 33.69 C ATOM 1195 CG PRO A 119 4.111 -12.442 27.014 1.00 33.82 C ATOM 1196 CD PRO A 119 3.798 -13.417 25.898 1.00 32.57 C ATOM 1197 N ALA A 120 8.110 -11.572 25.231 1.00 27.00 N ATOM 1198 CA ALA A 120 9.542 -11.744 25.373 1.00 28.51 C ATOM 1199 C ALA A 120 9.928 -12.441 26.646 1.00 29.01 C ATOM 1200 O ALA A 120 10.718 -13.426 26.635 1.00 27.96 O ATOM 1201 CB ALA A 120 10.227 -10.372 25.352 1.00 32.16 C ATOM 1202 H ALA A 120 7.766 -10.628 24.961 1.00 0.00 H ATOM 1203 N SER A 121 9.342 -11.963 27.744 1.00 27.72 N ATOM 1204 CA SER A 121 9.697 -12.477 29.036 1.00 33.06 C ATOM 1205 C SER A 121 9.391 -13.970 29.164 1.00 31.98 C ATOM 1206 O SER A 121 10.027 -14.621 29.965 1.00 27.12 O ATOM 1207 CB SER A 121 9.015 -11.703 30.185 1.00 31.59 C ATOM 1208 OG SER A 121 7.589 -11.852 30.168 1.00 30.04 O ATOM 1209 HG SER A 121 7.357 -12.810 30.262 1.00 0.00 H ATOM 1210 H SER A 121 8.625 -11.214 27.664 1.00 0.00 H ATOM 1211 N VAL A 122 8.397 -14.458 28.423 1.00 26.32 N ATOM 1212 CA VAL A 122 8.026 -15.860 28.483 1.00 25.77 C ATOM 1213 C VAL A 122 8.923 -16.661 27.553 1.00 23.44 C ATOM 1214 O VAL A 122 9.372 -17.746 27.881 1.00 23.60 O ATOM 1215 CB VAL A 122 6.572 -16.040 28.076 1.00 25.52 C ATOM 1216 CG1 VAL A 122 6.231 -17.510 27.915 1.00 27.99 C ATOM 1217 CG2 VAL A 122 5.656 -15.417 29.112 1.00 27.31 C ATOM 1218 H VAL A 122 7.876 -13.821 27.788 1.00 0.00 H ATOM 1219 N LEU A 123 9.175 -16.092 26.379 1.00 25.55 N ATOM 1220 CA LEU A 123 10.010 -16.708 25.366 1.00 26.85 C ATOM 1221 C LEU A 123 11.469 -16.809 25.754 1.00 26.73 C ATOM 1222 O LEU A 123 12.123 -17.760 25.359 1.00 26.09 O ATOM 1223 CB LEU A 123 9.907 -15.962 24.027 1.00 28.64 C ATOM 1224 CG LEU A 123 8.507 -16.068 23.419 1.00 29.86 C ATOM 1225 CD1 LEU A 123 8.397 -15.126 22.210 1.00 31.05 C ATOM 1226 CD2 LEU A 123 8.103 -17.518 23.060 1.00 25.28 C ATOM 1227 H LEU A 123 8.754 -15.163 26.177 1.00 0.00 H ATOM 1228 N THR A 124 11.974 -15.873 26.540 1.00 27.57 N ATOM 1229 CA THR A 124 13.416 -15.716 26.654 1.00 25.44 C ATOM 1230 C THR A 124 14.109 -16.938 27.258 1.00 24.01 C ATOM 1231 O THR A 124 13.716 -17.512 28.304 1.00 24.28 O ATOM 1232 CB THR A 124 13.805 -14.392 27.317 1.00 25.79 C ATOM 1233 OG1 THR A 124 15.220 -14.162 27.100 1.00 26.95 O ATOM 1234 CG2 THR A 124 13.531 -14.422 28.790 1.00 23.40 C ATOM 1235 HG1 THR A 124 15.483 -13.307 27.525 1.00 0.00 H ATOM 1236 H THR A 124 11.340 -15.248 27.077 1.00 0.00 H ATOM 1237 N GLY A 125 15.096 -17.442 26.545 1.00 26.81 N ATOM 1238 CA GLY A 125 15.840 -18.641 27.052 1.00 27.37 C ATOM 1239 C GLY A 125 15.097 -19.941 26.832 1.00 27.25 C ATOM 1240 O GLY A 125 15.635 -20.991 27.148 1.00 29.31 O ATOM 1241 H GLY A 125 15.357 -17.010 25.636 1.00 0.00 H ATOM 1242 N ASN A 126 13.866 -19.885 26.292 1.00 24.52 N ATOM 1243 CA ASN A 126 13.067 -21.062 26.067 1.00 26.58 C ATOM 1244 C ASN A 126 12.939 -21.364 24.586 1.00 29.03 C ATOM 1245 O ASN A 126 12.274 -22.366 24.190 1.00 27.79 O ATOM 1246 CB ASN A 126 11.640 -20.892 26.663 1.00 24.62 C ATOM 1247 CG ASN A 126 11.621 -20.968 28.163 1.00 24.99 C ATOM 1248 OD1 ASN A 126 11.125 -20.080 28.849 1.00 32.05 O ATOM 1249 ND2 ASN A 126 12.186 -21.979 28.686 1.00 23.41 N ATOM 1250 HD22 ASN A 126 12.598 -22.716 28.079 1.00 0.00 H ATOM 1251 HD21 ASN A 126 12.237 -22.069 29.721 1.00 0.00 H ATOM 1252 H ASN A 126 13.477 -18.958 26.027 1.00 0.00 H ATOM 1253 N VAL A 127 13.474 -20.463 23.759 1.00 25.08 N ATOM 1254 CA VAL A 127 13.381 -20.638 22.307 1.00 25.54 C ATOM 1255 C VAL A 127 14.725 -21.175 21.716 1.00 26.39 C ATOM 1256 O VAL A 127 15.810 -20.622 21.982 1.00 24.36 O ATOM 1257 CB VAL A 127 13.029 -19.332 21.637 1.00 25.64 C ATOM 1258 CG1 VAL A 127 13.210 -19.416 20.143 1.00 25.77 C ATOM 1259 CG2 VAL A 127 11.598 -18.907 21.986 1.00 29.12 C ATOM 1260 H VAL A 127 13.961 -19.630 24.148 1.00 0.00 H ATOM 1261 N ILE A 128 14.634 -22.246 20.936 1.00 28.04 N ATOM 1262 CA ILE A 128 15.773 -22.799 20.174 1.00 28.44 C ATOM 1263 C ILE A 128 15.448 -22.678 18.689 1.00 27.93 C ATOM 1264 O ILE A 128 14.345 -23.030 18.268 1.00 25.52 O ATOM 1265 CB ILE A 128 15.950 -24.298 20.493 1.00 27.99 C ATOM 1266 CG1 ILE A 128 16.397 -24.492 21.891 1.00 29.97 C ATOM 1267 CG2 ILE A 128 16.950 -24.962 19.555 1.00 28.91 C ATOM 1268 CD1 ILE A 128 17.861 -24.148 22.067 1.00 40.56 C ATOM 1269 H ILE A 128 13.712 -22.721 20.857 1.00 0.00 H ATOM 1270 N ILE A 129 16.376 -22.146 17.917 1.00 25.09 N ATOM 1271 CA ILE A 129 16.301 -22.140 16.485 1.00 25.03 C ATOM 1272 C ILE A 129 17.161 -23.271 15.957 1.00 29.70 C ATOM 1273 O ILE A 129 18.422 -23.263 16.170 1.00 28.85 O ATOM 1274 CB ILE A 129 16.848 -20.871 15.895 1.00 27.94 C ATOM 1275 CG1 ILE A 129 16.199 -19.659 16.534 1.00 30.47 C ATOM 1276 CG2 ILE A 129 16.550 -20.898 14.395 1.00 33.20 C ATOM 1277 CD1 ILE A 129 14.671 -19.683 16.362 1.00 33.27 C ATOM 1278 H ILE A 129 17.204 -21.709 18.370 1.00 0.00 H ATOM 1279 N GLU A 130 16.522 -24.270 15.336 1.00 28.82 N ATOM 1280 CA GLU A 130 17.268 -25.388 14.704 1.00 31.63 C ATOM 1281 C GLU A 130 17.406 -25.101 13.224 1.00 33.01 C ATOM 1282 O GLU A 130 16.388 -24.859 12.561 1.00 36.10 O ATOM 1283 CB GLU A 130 16.540 -26.672 14.920 1.00 33.10 C ATOM 1284 CG GLU A 130 17.236 -27.919 14.372 1.00 36.34 C ATOM 1285 CD GLU A 130 16.254 -29.087 14.275 1.00 34.89 C ATOM 1286 OE1 GLU A 130 15.308 -29.038 13.477 1.00 39.82 O ATOM 1287 OE2 GLU A 130 16.415 -30.036 15.031 1.00 42.66 O ATOM 1288 H GLU A 130 15.483 -24.263 15.295 1.00 0.00 H ATOM 1289 N THR A 131 18.646 -25.040 12.724 1.00 30.01 N ATOM 1290 CA THR A 131 18.924 -24.820 11.306 1.00 29.33 C ATOM 1291 C THR A 131 19.587 -26.064 10.721 1.00 30.43 C ATOM 1292 O THR A 131 20.615 -26.544 11.213 1.00 32.06 O ATOM 1293 CB THR A 131 19.842 -23.611 11.118 1.00 30.71 C ATOM 1294 OG1 THR A 131 19.250 -22.431 11.650 1.00 26.07 O ATOM 1295 CG2 THR A 131 20.116 -23.315 9.683 1.00 33.37 C ATOM 1296 HG1 THR A 131 19.082 -22.555 12.618 1.00 0.00 H ATOM 1297 H THR A 131 19.449 -25.154 13.375 1.00 0.00 H ATOM 1298 N LYS A 132 18.994 -26.597 9.675 1.00 33.25 N ATOM 1299 CA LYS A 132 19.569 -27.690 8.913 1.00 30.04 C ATOM 1300 C LYS A 132 20.061 -27.160 7.581 1.00 32.92 C ATOM 1301 O LYS A 132 19.303 -26.492 6.849 1.00 29.18 O ATOM 1302 CB LYS A 132 18.526 -28.737 8.650 1.00 28.77 C ATOM 1303 CG LYS A 132 18.242 -29.559 9.855 1.00 33.32 C ATOM 1304 CD LYS A 132 17.030 -30.426 9.627 1.00 40.59 C ATOM 1305 CE LYS A 132 16.799 -31.444 10.740 1.00 40.89 C ATOM 1306 NZ LYS A 132 15.556 -32.140 10.279 1.00 49.25 N ATOM 1307 HZ1 LYS A 132 14.784 -31.448 10.194 1.00 0.00 H ATOM 1308 HZ2 LYS A 132 15.730 -32.582 9.354 1.00 0.00 H ATOM 1309 HZ3 LYS A 132 15.293 -32.872 10.970 1.00 0.00 H ATOM 1310 H LYS A 132 18.071 -26.218 9.381 1.00 0.00 H ATOM 1311 N PHE A 133 21.333 -27.473 7.283 1.00 29.59 N ATOM 1312 CA PHE A 133 22.017 -27.061 6.080 1.00 32.16 C ATOM 1313 C PHE A 133 21.966 -28.279 5.147 1.00 28.40 C ATOM 1314 O PHE A 133 22.413 -29.334 5.517 1.00 28.37 O ATOM 1315 CB PHE A 133 23.499 -26.666 6.380 1.00 34.76 C ATOM 1316 CG PHE A 133 23.621 -25.424 7.267 1.00 45.22 C ATOM 1317 CD1 PHE A 133 23.390 -25.493 8.650 1.00 51.09 C ATOM 1318 CD2 PHE A 133 23.950 -24.177 6.723 1.00 48.56 C ATOM 1319 CE1 PHE A 133 23.492 -24.365 9.443 1.00 54.61 C ATOM 1320 CE2 PHE A 133 24.051 -23.044 7.520 1.00 45.75 C ATOM 1321 CZ PHE A 133 23.818 -23.141 8.874 1.00 48.78 C ATOM 1322 H PHE A 133 21.862 -28.052 7.966 1.00 0.00 H ATOM 1323 N PHE A 134 21.500 -28.083 3.926 1.00 28.71 N ATOM 1324 CA PHE A 134 21.362 -29.111 2.959 1.00 29.21 C ATOM 1325 C PHE A 134 22.090 -28.631 1.690 1.00 29.77 C ATOM 1326 O PHE A 134 22.109 -27.445 1.372 1.00 28.86 O ATOM 1327 CB PHE A 134 19.862 -29.342 2.591 1.00 30.05 C ATOM 1328 CG PHE A 134 19.064 -30.143 3.590 1.00 29.00 C ATOM 1329 CD1 PHE A 134 19.004 -31.525 3.515 1.00 31.21 C ATOM 1330 CD2 PHE A 134 18.288 -29.491 4.560 1.00 28.16 C ATOM 1331 CE1 PHE A 134 18.225 -32.282 4.413 1.00 33.25 C ATOM 1332 CE2 PHE A 134 17.514 -30.230 5.457 1.00 31.87 C ATOM 1333 CZ PHE A 134 17.474 -31.621 5.397 1.00 32.73 C ATOM 1334 H PHE A 134 21.218 -27.118 3.659 1.00 0.00 H ATOM 1335 N ASP A 135 22.679 -29.567 0.950 1.00 32.06 N ATOM 1336 CA ASP A 135 22.860 -29.385 -0.486 1.00 33.17 C ATOM 1337 C ASP A 135 21.836 -30.325 -1.138 1.00 33.43 C ATOM 1338 O ASP A 135 21.985 -31.559 -1.109 1.00 31.28 O ATOM 1339 CB ASP A 135 24.233 -29.766 -0.951 1.00 33.93 C ATOM 1340 CG ASP A 135 24.345 -29.733 -2.454 1.00 35.88 C ATOM 1341 OD1 ASP A 135 23.361 -29.339 -3.101 1.00 35.63 O ATOM 1342 OD2 ASP A 135 25.416 -30.049 -2.985 1.00 31.04 O ATOM 1343 H ASP A 135 23.015 -30.441 1.402 1.00 0.00 H ATOM 1344 N ASP A 136 20.791 -29.745 -1.698 1.00 32.77 N ATOM 1345 CA ASP A 136 19.680 -30.555 -2.233 1.00 38.22 C ATOM 1346 C ASP A 136 19.099 -31.436 -1.154 1.00 35.82 C ATOM 1347 O ASP A 136 18.558 -30.912 -0.180 1.00 39.35 O ATOM 1348 CB ASP A 136 20.107 -31.305 -3.516 1.00 46.46 C ATOM 1349 CG ASP A 136 18.923 -31.498 -4.491 1.00 57.25 C ATOM 1350 OD1 ASP A 136 17.767 -31.517 -4.018 1.00 59.56 O ATOM 1351 OD2 ASP A 136 19.142 -31.587 -5.722 1.00 69.45 O ATOM 1352 H ASP A 136 20.750 -28.708 -1.763 1.00 0.00 H ATOM 1353 N ASP A 137 19.220 -32.755 -1.251 1.00 37.48 N ATOM 1354 CA ASP A 137 18.643 -33.629 -0.249 1.00 40.24 C ATOM 1355 C ASP A 137 19.650 -34.162 0.678 1.00 39.64 C ATOM 1356 O ASP A 137 19.333 -34.995 1.479 1.00 40.22 O ATOM 1357 CB ASP A 137 17.880 -34.793 -0.922 1.00 53.36 C ATOM 1358 CG ASP A 137 16.621 -34.280 -1.691 1.00 64.76 C ATOM 1359 OD1 ASP A 137 15.732 -33.627 -1.060 1.00 64.19 O ATOM 1360 OD2 ASP A 137 16.569 -34.472 -2.932 1.00 67.35 O ATOM 1361 H ASP A 137 19.735 -33.166 -2.056 1.00 0.00 H ATOM 1362 N LEU A 138 20.885 -33.692 0.559 1.00 36.70 N ATOM 1363 CA LEU A 138 21.926 -34.110 1.424 1.00 35.09 C ATOM 1364 C LEU A 138 22.035 -33.206 2.689 1.00 32.89 C ATOM 1365 O LEU A 138 22.320 -32.001 2.580 1.00 33.29 O ATOM 1366 CB LEU A 138 23.222 -34.025 0.610 1.00 41.74 C ATOM 1367 CG LEU A 138 24.393 -34.731 1.251 1.00 41.43 C ATOM 1368 CD1 LEU A 138 24.070 -36.236 1.397 1.00 45.35 C ATOM 1369 CD2 LEU A 138 25.601 -34.526 0.384 1.00 40.12 C ATOM 1370 H LEU A 138 21.094 -32.999 -0.188 1.00 0.00 H ATOM 1371 N LEU A 139 21.850 -33.792 3.869 1.00 29.29 N ATOM 1372 CA LEU A 139 22.033 -33.107 5.141 1.00 33.91 C ATOM 1373 C LEU A 139 23.479 -33.003 5.470 1.00 36.00 C ATOM 1374 O LEU A 139 24.115 -34.005 5.683 1.00 40.44 O ATOM 1375 CB LEU A 139 21.346 -33.837 6.293 1.00 35.07 C ATOM 1376 CG LEU A 139 21.311 -33.123 7.643 1.00 34.50 C ATOM 1377 CD1 LEU A 139 20.674 -31.748 7.558 1.00 32.48 C ATOM 1378 CD2 LEU A 139 20.499 -34.048 8.575 1.00 39.22 C ATOM 1379 H LEU A 139 21.560 -34.791 3.884 1.00 0.00 H ATOM 1380 N VAL A 140 23.956 -31.772 5.510 1.00 31.80 N ATOM 1381 CA VAL A 140 25.309 -31.423 5.791 1.00 35.13 C ATOM 1382 C VAL A 140 25.528 -31.175 7.264 1.00 39.82 C ATOM 1383 O VAL A 140 26.590 -31.499 7.848 1.00 43.65 O ATOM 1384 CB VAL A 140 25.633 -30.133 4.996 1.00 31.97 C ATOM 1385 CG1 VAL A 140 26.955 -29.527 5.404 1.00 37.58 C ATOM 1386 CG2 VAL A 140 25.658 -30.453 3.505 1.00 35.47 C ATOM 1387 H VAL A 140 23.291 -30.995 5.321 1.00 0.00 H ATOM 1388 N SER A 141 24.548 -30.507 7.861 1.00 38.46 N ATOM 1389 CA SER A 141 24.618 -30.216 9.259 1.00 40.12 C ATOM 1390 C SER A 141 23.321 -29.644 9.859 1.00 37.26 C ATOM 1391 O SER A 141 22.481 -29.100 9.156 1.00 33.84 O ATOM 1392 CB SER A 141 25.732 -29.204 9.469 1.00 38.17 C ATOM 1393 OG SER A 141 25.263 -27.902 9.406 1.00 37.57 O ATOM 1394 HG SER A 141 26.015 -27.274 9.547 1.00 0.00 H ATOM 1395 H SER A 141 23.725 -30.194 7.308 1.00 0.00 H ATOM 1396 N THR A 142 23.292 -29.699 11.177 1.00 30.99 N ATOM 1397 CA THR A 142 22.238 -29.273 12.012 1.00 30.94 C ATOM 1398 C THR A 142 22.858 -28.555 13.180 1.00 28.58 C ATOM 1399 O THR A 142 23.654 -29.111 13.949 1.00 33.72 O ATOM 1400 CB THR A 142 21.497 -30.525 12.578 1.00 34.19 C ATOM 1401 OG1 THR A 142 21.075 -31.336 11.496 1.00 32.98 O ATOM 1402 CG2 THR A 142 20.296 -30.123 13.361 1.00 36.52 C ATOM 1403 HG1 THR A 142 21.865 -31.622 10.972 1.00 0.00 H ATOM 1404 H THR A 142 24.130 -30.096 11.647 1.00 0.00 H ATOM 1405 N SER A 143 22.522 -27.309 13.308 1.00 29.54 N ATOM 1406 CA SER A 143 22.955 -26.569 14.420 1.00 28.74 C ATOM 1407 C SER A 143 21.763 -25.991 15.193 1.00 28.76 C ATOM 1408 O SER A 143 20.646 -25.930 14.645 1.00 29.61 O ATOM 1409 CB SER A 143 23.844 -25.496 13.871 1.00 30.34 C ATOM 1410 OG SER A 143 23.111 -24.676 13.025 1.00 31.49 O ATOM 1411 HG SER A 143 23.700 -23.967 12.663 1.00 0.00 H ATOM 1412 H SER A 143 21.929 -26.856 12.584 1.00 0.00 H ATOM 1413 N ARG A 144 22.015 -25.586 16.441 1.00 29.98 N ATOM 1414 CA ARG A 144 21.029 -24.953 17.365 1.00 32.69 C ATOM 1415 C ARG A 144 21.535 -23.679 17.972 1.00 29.68 C ATOM 1416 O ARG A 144 22.683 -23.605 18.360 1.00 28.23 O ATOM 1417 CB ARG A 144 20.725 -25.895 18.512 1.00 32.42 C ATOM 1418 CG ARG A 144 20.129 -27.193 17.990 1.00 43.97 C ATOM 1419 CD ARG A 144 19.842 -28.282 19.027 1.00 44.73 C ATOM 1420 NE ARG A 144 20.077 -29.568 18.380 1.00 68.26 N ATOM 1421 CZ ARG A 144 19.307 -30.136 17.432 1.00 72.55 C ATOM 1422 NH1 ARG A 144 18.184 -29.580 17.005 1.00 73.11 N ATOM 1423 NH2 ARG A 144 19.662 -31.301 16.912 1.00 67.50 N ATOM 1424 HE ARG A 144 20.921 -30.097 18.680 1.00 0.00 H ATOM 1425 HH12 ARG A 144 17.617 -30.051 16.271 1.00 0.00 H ATOM 1426 HH11 ARG A 144 17.869 -28.673 17.404 1.00 0.00 H ATOM 1427 HH22 ARG A 144 19.072 -31.745 16.180 1.00 0.00 H ATOM 1428 HH21 ARG A 144 20.531 -31.772 17.236 1.00 0.00 H ATOM 1429 H ARG A 144 22.982 -25.724 16.799 1.00 0.00 H ATOM 1430 N VAL A 145 20.657 -22.691 18.098 1.00 30.56 N ATOM 1431 CA VAL A 145 20.920 -21.479 18.836 1.00 27.58 C ATOM 1432 C VAL A 145 19.775 -21.245 19.820 1.00 28.20 C ATOM 1433 O VAL A 145 18.623 -21.234 19.405 1.00 29.07 O ATOM 1434 CB VAL A 145 20.991 -20.287 17.898 1.00 31.24 C ATOM 1435 CG1 VAL A 145 21.335 -19.025 18.663 1.00 33.31 C ATOM 1436 CG2 VAL A 145 22.000 -20.508 16.773 1.00 32.88 C ATOM 1437 H VAL A 145 19.729 -22.796 17.640 1.00 0.00 H ATOM 1438 N ARG A 146 20.084 -21.073 21.098 1.00 26.03 N ATOM 1439 CA ARG A 146 19.112 -20.663 22.103 1.00 25.86 C ATOM 1440 C ARG A 146 19.075 -19.128 22.100 1.00 26.18 C ATOM 1441 O ARG A 146 20.124 -18.468 22.047 1.00 24.66 O ATOM 1442 CB ARG A 146 19.556 -21.194 23.465 1.00 27.59 C ATOM 1443 CG ARG A 146 18.555 -20.927 24.576 1.00 28.93 C ATOM 1444 CD ARG A 146 18.905 -21.466 25.970 1.00 30.84 C ATOM 1445 NE ARG A 146 19.036 -22.914 25.900 1.00 37.41 N ATOM 1446 CZ ARG A 146 18.026 -23.805 25.894 1.00 38.37 C ATOM 1447 NH1 ARG A 146 16.727 -23.441 25.964 1.00 36.82 N ATOM 1448 NH2 ARG A 146 18.335 -25.096 25.817 1.00 33.71 N ATOM 1449 HE ARG A 146 20.002 -23.297 25.850 1.00 0.00 H ATOM 1450 HH12 ARG A 146 15.982 -24.167 25.956 1.00 0.00 H ATOM 1451 HH11 ARG A 146 16.472 -22.435 26.026 1.00 0.00 H ATOM 1452 HH22 ARG A 146 17.581 -25.812 25.810 1.00 0.00 H ATOM 1453 HH21 ARG A 146 19.331 -25.390 25.764 1.00 0.00 H ATOM 1454 H ARG A 146 21.066 -21.239 21.397 1.00 0.00 H ATOM 1455 N LEU A 147 17.882 -18.562 22.088 1.00 25.43 N ATOM 1456 CA LEU A 147 17.672 -17.088 22.064 1.00 27.81 C ATOM 1457 C LEU A 147 17.238 -16.507 23.388 1.00 29.38 C ATOM 1458 O LEU A 147 16.433 -17.104 24.086 1.00 29.96 O ATOM 1459 CB LEU A 147 16.553 -16.709 21.083 1.00 28.83 C ATOM 1460 CG LEU A 147 16.817 -17.021 19.644 1.00 34.41 C ATOM 1461 CD1 LEU A 147 15.695 -16.609 18.738 1.00 34.89 C ATOM 1462 CD2 LEU A 147 18.088 -16.262 19.209 1.00 40.06 C ATOM 1463 H LEU A 147 17.044 -19.179 22.096 1.00 0.00 H ATOM 1464 N PHE A 148 17.804 -15.342 23.707 1.00 28.05 N ATOM 1465 CA PHE A 148 17.425 -14.509 24.793 1.00 28.25 C ATOM 1466 C PHE A 148 16.976 -13.208 24.140 1.00 27.59 C ATOM 1467 O PHE A 148 17.549 -12.736 23.187 1.00 31.03 O ATOM 1468 CB PHE A 148 18.609 -14.330 25.778 1.00 29.35 C ATOM 1469 CG PHE A 148 19.161 -15.645 26.269 1.00 31.88 C ATOM 1470 CD1 PHE A 148 18.510 -16.384 27.246 1.00 26.60 C ATOM 1471 CD2 PHE A 148 20.275 -16.182 25.691 1.00 33.49 C ATOM 1472 CE1 PHE A 148 18.988 -17.636 27.644 1.00 28.79 C ATOM 1473 CE2 PHE A 148 20.766 -17.419 26.084 1.00 35.24 C ATOM 1474 CZ PHE A 148 20.112 -18.173 27.061 1.00 34.43 C ATOM 1475 H PHE A 148 18.590 -15.016 23.109 1.00 0.00 H ATOM 1476 N TYR A 149 15.879 -12.702 24.626 1.00 27.81 N ATOM 1477 CA TYR A 149 15.255 -11.508 24.134 1.00 29.89 C ATOM 1478 C TYR A 149 15.537 -10.448 25.203 1.00 32.20 C ATOM 1479 O TYR A 149 15.078 -10.605 26.311 1.00 31.34 O ATOM 1480 CB TYR A 149 13.758 -11.743 23.963 1.00 29.61 C ATOM 1481 CG TYR A 149 13.485 -12.775 22.944 1.00 28.92 C ATOM 1482 CD1 TYR A 149 13.461 -12.446 21.558 1.00 29.47 C ATOM 1483 CD2 TYR A 149 13.272 -14.097 23.318 1.00 27.78 C ATOM 1484 CE1 TYR A 149 13.249 -13.403 20.587 1.00 28.43 C ATOM 1485 CE2 TYR A 149 13.073 -15.074 22.356 1.00 30.46 C ATOM 1486 CZ TYR A 149 13.057 -14.735 20.997 1.00 32.93 C ATOM 1487 OH TYR A 149 12.849 -15.745 20.080 1.00 32.64 O ATOM 1488 HH TYR A 149 12.862 -15.367 19.165 1.00 0.00 H ATOM 1489 H TYR A 149 15.426 -13.195 25.422 1.00 0.00 H ATOM 1490 N VAL A 150 16.268 -9.390 24.865 1.00 31.97 N ATOM 1491 CA VAL A 150 16.846 -8.497 25.862 1.00 36.06 C ATOM 1492 C VAL A 150 16.443 -7.001 25.700 1.00 37.24 C ATOM 1493 O VAL A 150 15.895 -6.647 24.677 1.00 40.14 O ATOM 1494 CB VAL A 150 18.358 -8.563 25.810 1.00 37.97 C ATOM 1495 CG1 VAL A 150 18.789 -10.025 25.827 1.00 41.06 C ATOM 1496 CG2 VAL A 150 18.880 -7.886 24.548 1.00 42.25 C ATOM 1497 H VAL A 150 16.433 -9.193 23.857 1.00 0.00 H TER 1498 VAL A 150 HETATM 1499 O HOH 1 37.505 -32.688 2.143 1.00 47.12 O HETATM 1500 O HOH 2 24.197 -30.094 16.215 1.00 36.77 O HETATM 1501 O HOH 3 24.876 -26.142 17.030 1.00 23.83 O HETATM 1502 O HOH 4 19.755 -22.238 14.165 1.00 26.02 O HETATM 1503 O HOH 5 32.340 -26.535 1.533 1.00 25.21 O HETATM 1504 O HOH 6 23.651 -36.575 5.488 1.00 45.58 O HETATM 1505 O HOH 7 11.574 -13.592 31.817 1.00 23.34 O HETATM 1506 O HOH 8 22.875 -33.233 11.186 1.00 43.41 O HETATM 1507 O HOH 9 28.179 -33.565 7.338 1.00 40.27 O HETATM 1508 O HOH 10 28.796 -18.958 -5.568 1.00 34.28 O HETATM 1509 O HOH 11 33.178 -26.852 9.289 1.00 37.05 O HETATM 1510 O HOH 12 36.511 -30.021 2.273 1.00 33.85 O HETATM 1511 O HOH 13 14.980 -25.663 2.218 1.00 32.90 O HETATM 1512 O HOH 14 37.730 -29.531 -2.662 1.00 30.25 O HETATM 1513 O HOH 15 13.577 -29.420 9.317 1.00 34.86 O HETATM 1514 O HOH 16 33.738 -29.492 -4.527 1.00 28.49 O HETATM 1515 O HOH 17 20.118 -14.879 4.092 1.00 36.95 O HETATM 1516 O HOH 18 7.313 -14.211 31.648 1.00 33.55 O HETATM 1517 O HOH 19 27.286 -18.934 21.634 1.00 33.52 O HETATM 1518 O HOH 20 7.986 -9.422 27.670 1.00 27.22 O HETATM 1519 O HOH 21 33.815 -12.317 4.432 1.00 45.50 O HETATM 1520 O HOH 22 38.668 -27.096 6.695 1.00 34.97 O HETATM 1521 O HOH 23 9.971 -16.177 4.868 1.00 48.29 O HETATM 1522 O HOH 24 8.741 -5.493 9.746 1.00 50.50 O HETATM 1523 O HOH 25 24.386 -12.159 20.609 1.00 35.83 O HETATM 1524 O HOH 26 23.133 -19.306 -6.576 1.00 42.36 O HETATM 1525 O HOH 27 34.149 -15.385 -3.993 1.00 41.72 O HETATM 1526 O HOH 28 25.021 -32.006 12.185 1.00 35.88 O HETATM 1527 O HOH 29 13.874 -14.766 1.102 1.00 40.85 O HETATM 1528 O HOH 30 14.897 -27.546 10.831 1.00 35.35 O HETATM 1529 O HOH 31 13.063 -25.259 22.754 1.00 33.81 O HETATM 1530 O HOH 32 24.324 -7.073 17.825 1.00 38.41 O HETATM 1531 O HOH 33 14.130 -25.312 25.222 1.00 35.58 O HETATM 1532 O HOH 34 9.656 -19.684 3.912 1.00 43.24 O HETATM 1533 O HOH 35 0.371 -15.368 22.756 1.00 50.40 O HETATM 1534 O HOH 36 20.563 -16.489 -4.253 1.00 45.80 O HETATM 1535 O HOH 37 23.015 -7.956 26.169 1.00 50.91 O HETATM 1536 O HOH 38 39.220 -26.228 5.267 1.00 49.09 O HETATM 1537 O HOH 39 4.809 -26.046 12.224 1.00 48.03 O HETATM 1538 FAS JAY A 40 19.473 -17.491 16.282 1.00 -0.19 F HETATM 1539 CAN JAY A 40 19.951 -16.585 15.534 1.00 0.14 C HETATM 1540 CAO JAY A 40 20.693 -15.551 16.116 1.00 -0.03 C HETATM 1541 CAP JAY A 40 21.268 -14.542 15.353 1.00 -0.07 C HETATM 1542 CAQ JAY A 40 21.078 -14.575 13.971 1.00 -0.07 C HETATM 1543 CAR JAY A 40 20.294 -15.600 13.397 1.00 -0.06 C HETATM 1544 CAL JAY A 40 19.740 -16.637 14.174 1.00 0.04 C HETATM 1545 CAH JAY A 40 18.951 -17.694 13.644 1.00 0.16 C HETATM 1546 NAG JAY A 40 19.810 -18.887 13.461 1.00 -0.29 N HETATM 1547 CAE JAY A 40 20.568 -18.940 12.334 1.00 0.06 C HETATM 1548 CAD JAY A 40 21.672 -19.732 12.366 1.00 -0.04 C HETATM 1549 CAC JAY A 40 22.489 -19.826 11.270 1.00 -0.07 C HETATM 1550 CAB JAY A 40 22.162 -19.081 10.169 1.00 -0.07 C HETATM 1551 CAA JAY A 40 21.035 -18.295 10.127 1.00 -0.05 C HETATM 1552 CAF JAY A 40 20.225 -18.180 11.241 1.00 0.07 C HETATM 1553 CAJ JAY A 40 19.015 -17.395 11.208 1.00 0.20 C HETATM 1554 OAK JAY A 40 18.448 -17.073 10.126 1.00 -0.39 O HETATM 1555 NAI JAY A 40 18.307 -17.261 12.344 1.00 -0.24 N HETATM 1556 CAM JAY A 40 16.936 -16.613 12.337 1.00 0.06 C HETATM 1557 CAT JAY A 40 15.959 -17.584 12.900 1.00 0.01 C HETATM 1558 CAU JAY A 40 14.583 -17.030 12.695 1.00 -0.03 C HETATM 1559 NAV JAY A 40 14.402 -15.712 13.410 1.00 0.24 N HETATM 1560 CAW JAY A 40 15.460 -14.710 13.123 1.00 -0.03 C HETATM 1561 CAX JAY A 40 16.878 -15.337 13.173 1.00 0.01 C HETATM 1562 H16 JAY A 40 17.606 -14.614 12.778 1.00 0.03 H HETATM 1563 H17 JAY A 40 17.129 -15.578 14.216 1.00 0.03 H HETATM 1564 H18 JAY A 40 15.291 -14.292 12.120 1.00 0.08 H HETATM 1565 H19 JAY A 40 15.400 -13.905 13.871 1.00 0.08 H HETATM 1566 CAY JAY A 40 14.108 -15.756 14.854 1.00 -0.01 C HETATM 1567 CAZ JAY A 40 13.147 -14.602 15.283 1.00 0.08 C HETATM 1568 NBA JAY A 40 11.814 -15.206 15.630 1.00 -0.24 N HETATM 1569 CBB JAY A 40 11.452 -15.449 16.910 1.00 0.20 C HETATM 1570 OBR JAY A 40 12.283 -15.187 17.802 1.00 -0.39 O HETATM 1571 CBC JAY A 40 10.182 -16.049 17.174 1.00 0.07 C HETATM 1572 CBN JAY A 40 9.746 -16.341 18.466 1.00 -0.05 C HETATM 1573 CBO JAY A 40 8.514 -16.997 18.720 1.00 -0.07 C HETATM 1574 CBP JAY A 40 7.684 -17.375 17.678 1.00 -0.07 C HETATM 1575 CBQ JAY A 40 8.126 -17.106 16.377 1.00 -0.04 C HETATM 1576 CBD JAY A 40 9.348 -16.458 16.123 1.00 0.06 C HETATM 1577 NBE JAY A 40 9.734 -16.260 14.838 1.00 -0.29 N HETATM 1578 CBF JAY A 40 10.857 -15.395 14.501 1.00 0.16 C HETATM 1579 CBG JAY A 40 10.363 -14.096 14.100 1.00 0.04 C HETATM 1580 CBH JAY A 40 10.279 -13.779 12.732 1.00 0.14 C HETATM 1581 FBM JAY A 40 10.596 -14.592 11.953 1.00 -0.19 F HETATM 1582 CBI JAY A 40 9.823 -12.551 12.246 1.00 -0.03 C HETATM 1583 CBJ JAY A 40 9.437 -11.609 13.168 1.00 -0.07 C HETATM 1584 CBK JAY A 40 9.519 -11.892 14.533 1.00 -0.07 C HETATM 1585 CBL JAY A 40 9.986 -13.101 15.025 1.00 -0.06 C HETATM 1586 H34 JAY A 40 10.059 -13.277 16.092 1.00 0.05 H HETATM 1587 H33 JAY A 40 9.204 -11.133 15.239 1.00 0.06 H HETATM 1588 H32 JAY A 40 9.068 -10.645 12.836 1.00 0.05 H HETATM 1589 H31 JAY A 40 9.776 -12.349 11.182 1.00 0.06 H HETATM 1590 H30 JAY A 40 11.399 -15.850 13.659 1.00 0.10 H HETATM 1591 H29 JAY A 40 9.220 -16.733 14.081 1.00 0.18 H HETATM 1592 H28 JAY A 40 7.507 -17.407 15.539 1.00 0.05 H HETATM 1593 H27 JAY A 40 6.732 -17.859 17.862 1.00 0.06 H HETATM 1594 H26 JAY A 40 8.219 -17.205 19.742 1.00 0.05 H HETATM 1595 H25 JAY A 40 10.370 -16.057 19.305 1.00 0.06 H HETATM 1596 H23 JAY A 40 13.028 -13.889 14.454 1.00 0.06 H HETATM 1597 H24 JAY A 40 13.559 -14.081 16.160 1.00 0.06 H HETATM 1598 H21 JAY A 40 15.051 -15.661 15.413 1.00 0.08 H HETATM 1599 H22 JAY A 40 13.636 -16.720 15.092 1.00 0.08 H HETATM 1600 H20 JAY A 40 13.565 -15.331 12.997 1.00 0.20 H HETATM 1601 H14 JAY A 40 13.847 -17.750 13.082 1.00 0.08 H HETATM 1602 H15 JAY A 40 14.416 -16.878 11.618 1.00 0.08 H HETATM 1603 H12 JAY A 40 16.149 -17.723 13.975 1.00 0.03 H HETATM 1604 H13 JAY A 40 16.053 -18.550 12.383 1.00 0.03 H HETATM 1605 H11 JAY A 40 16.663 -16.370 11.299 1.00 0.06 H HETATM 1606 H10 JAY A 40 20.781 -17.764 9.217 1.00 0.06 H HETATM 1607 H9 JAY A 40 22.813 -19.112 9.303 1.00 0.05 H HETATM 1608 H8 JAY A 40 23.363 -20.467 11.275 1.00 0.06 H HETATM 1609 H7 JAY A 40 21.907 -20.292 13.264 1.00 0.05 H HETATM 1610 H6 JAY A 40 19.832 -19.645 14.159 1.00 0.18 H HETATM 1611 H5 JAY A 40 18.154 -17.941 14.361 1.00 0.10 H HETATM 1612 H4 JAY A 40 20.113 -15.589 12.328 1.00 0.05 H HETATM 1613 H3 JAY A 40 21.530 -13.818 13.341 1.00 0.06 H HETATM 1614 H2 JAY A 40 21.847 -13.752 15.818 1.00 0.05 H HETATM 1615 H1 JAY A 40 20.823 -15.537 17.192 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1538 1539 CONECT 1539 1538 1540 1544 CONECT 1540 1539 1541 1615 CONECT 1541 1540 1542 1614 CONECT 1542 1541 1543 1613 CONECT 1543 1542 1544 1612 CONECT 1544 1539 1543 1545 CONECT 1545 1544 1546 1555 1611 CONECT 1546 1545 1547 1610 CONECT 1547 1546 1548 1552 CONECT 1548 1547 1549 1609 CONECT 1549 1548 1550 1608 CONECT 1550 1549 1551 1607 CONECT 1551 1550 1552 1606 CONECT 1552 1547 1551 1553 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1545 1553 1556 CONECT 1556 1555 1557 1561 1605 CONECT 1557 1556 1558 1603 1604 CONECT 1558 1557 1559 1601 1602 CONECT 1559 1558 1560 1566 1600 CONECT 1560 1559 1561 1564 1565 CONECT 1561 1556 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1560 CONECT 1565 1560 CONECT 1566 1559 1567 1598 1599 CONECT 1567 1566 1568 1596 1597 CONECT 1568 1567 1569 1578 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1576 CONECT 1572 1571 1573 1595 CONECT 1573 1572 1574 1594 CONECT 1574 1573 1575 1593 CONECT 1575 1574 1576 1592 CONECT 1576 1571 1575 1577 CONECT 1577 1576 1578 1591 CONECT 1578 1568 1577 1579 1590 CONECT 1579 1578 1580 1585 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1589 CONECT 1583 1582 1584 1588 CONECT 1584 1583 1585 1587 CONECT 1585 1579 1584 1586 CONECT 1586 1585 CONECT 1587 1584 CONECT 1588 1583 CONECT 1589 1582 CONECT 1590 1578 CONECT 1591 1577 CONECT 1592 1575 CONECT 1593 1574 CONECT 1594 1573 CONECT 1595 1572 CONECT 1596 1567 CONECT 1597 1567 CONECT 1598 1566 CONECT 1599 1566 CONECT 1600 1559 CONECT 1601 1558 CONECT 1602 1558 CONECT 1603 1557 CONECT 1604 1557 CONECT 1605 1556 CONECT 1606 1551 CONECT 1607 1550 CONECT 1608 1549 CONECT 1609 1548 CONECT 1610 1546 CONECT 1611 1545 CONECT 1612 1543 CONECT 1613 1542 CONECT 1614 1541 CONECT 1615 1540 MASTER 0 0 0 0 0 0 0 0 1614 1 82 12 END
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5x74
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
JAY
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 9400-9406
Ligand Properties
Formula
C
3
5
H
3
4
F
2
N
5
O
2
Molecular Weight
594.674
Exact Mass
594.268
No. of atoms
78
No. of bonds
84
Polar Surface Area
69.12
LOGP Value
6.10 (
Computed with XLOGP3
)
6.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 7
Canonical SMILES
Fc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H](CC1)N1[C@@H](Nc2c(C1=O)cccc2)c1ccccc1F
InChI String
InChI=1S/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/p+1/t32-,33-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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