Browse entries in the PDBbind-CN Database
HEADER 5OGB_COMPLEX COMPND 5OGB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 PRO ASN PHE SER GLY ASN TRP LYS ILE ILE ARG SER GLU SEQRES 2 A 100 ASN PHE GLU GLU LEU LEU LYS VAL LEU GLY VAL ASN VAL SEQRES 3 A 100 MET LEU ARG LYS ILE ALA VAL ALA ALA ALA SER LYS PRO SEQRES 4 A 100 ALA VAL GLU ILE LYS GLN GLU GLY ASP THR PHE TYR ILE SEQRES 5 A 100 LYS THR SER THR THR VAL ARG THR THR GLU ILE ASN PHE SEQRES 6 A 100 LYS VAL GLY GLU GLU PHE GLU GLU GLN THR VAL ASP GLY SEQRES 7 A 100 ARG PRO CYS LYS SER LEU VAL LYS TRP GLU SER GLU ASN SEQRES 8 A 100 LYS MET VAL CYS GLU GLN LYS LEU LEU SEQRES 1 A 35 GLU GLY PRO LYS THR SER TRP THR ARG GLU LEU THR ASN SEQRES 2 A 35 ASP GLY GLU LEU ILE LEU THR MET THR ALA ASP ASP VAL SEQRES 3 A 35 VAL CYS THR ARG VAL TYR VAL ARG GLU HET MOL A 198 48 ATOM 1 N PRO A 2 -8.591 8.969 -23.609 1.00 26.56 N ATOM 2 CA PRO A 2 -7.139 9.084 -23.716 1.00 25.72 C ATOM 3 C PRO A 2 -6.503 7.721 -23.529 1.00 25.58 C ATOM 4 O PRO A 2 -7.164 6.813 -22.996 1.00 26.84 O ATOM 5 CB PRO A 2 -6.784 9.968 -22.532 1.00 26.99 C ATOM 6 CG PRO A 2 -7.761 9.594 -21.504 1.00 26.79 C ATOM 7 CD PRO A 2 -9.040 9.328 -22.256 1.00 26.76 C ATOM 8 HN2 PRO A 2 -8.873 7.989 -23.814 1.00 0.00 H ATOM 9 HN1 PRO A 2 -9.036 9.608 -24.298 1.00 0.00 H ATOM 10 N ASN A 3 -5.252 7.592 -23.953 1.00 22.17 N ATOM 11 CA ASN A 3 -4.507 6.401 -23.756 1.00 20.58 C ATOM 12 C ASN A 3 -3.554 6.570 -22.566 1.00 18.84 C ATOM 13 O ASN A 3 -2.598 7.331 -22.620 1.00 17.54 O ATOM 14 CB ASN A 3 -3.736 6.063 -25.018 1.00 21.07 C ATOM 15 CG ASN A 3 -3.411 4.597 -25.119 1.00 22.20 C ATOM 16 OD1 ASN A 3 -3.176 3.942 -24.121 1.00 20.59 O ATOM 17 ND2 ASN A 3 -3.414 4.070 -26.335 1.00 22.73 N ATOM 18 HD22 ASN A 3 -3.620 4.668 -27.160 1.00 0.00 H ATOM 19 HD21 ASN A 3 -3.210 3.058 -26.464 1.00 0.00 H ATOM 20 H ASN A 3 -4.803 8.390 -24.446 1.00 0.00 H ATOM 21 N PHE A 4 -3.819 5.816 -21.501 1.00 17.58 N ATOM 22 CA PHE A 4 -2.940 5.730 -20.315 1.00 17.36 C ATOM 23 C PHE A 4 -1.752 4.755 -20.446 1.00 15.50 C ATOM 24 O PHE A 4 -0.974 4.607 -19.515 1.00 16.85 O ATOM 25 CB PHE A 4 -3.765 5.269 -19.103 1.00 17.86 C ATOM 26 CG PHE A 4 -4.799 6.269 -18.624 1.00 17.92 C ATOM 27 CD1 PHE A 4 -6.041 6.339 -19.202 1.00 20.10 C ATOM 28 CD2 PHE A 4 -4.545 7.064 -17.542 1.00 19.31 C ATOM 29 CE1 PHE A 4 -7.013 7.212 -18.734 1.00 21.26 C ATOM 30 CE2 PHE A 4 -5.498 7.947 -17.074 1.00 21.02 C ATOM 31 CZ PHE A 4 -6.736 8.028 -17.679 1.00 20.48 C ATOM 32 H PHE A 4 -4.695 5.255 -21.503 1.00 0.00 H ATOM 33 N SER A 5 -1.637 4.042 -21.550 1.00 14.23 N ATOM 34 CA SER A 5 -0.634 3.004 -21.688 1.00 14.15 C ATOM 35 C SER A 5 0.773 3.547 -21.526 1.00 14.47 C ATOM 36 O SER A 5 1.075 4.651 -21.965 1.00 16.33 O ATOM 37 CB SER A 5 -0.765 2.284 -23.058 1.00 13.47 C ATOM 38 OG SER A 5 -2.064 1.742 -23.215 1.00 13.22 O ATOM 39 HG SER A 5 -2.732 2.471 -23.170 1.00 0.00 H ATOM 40 H SER A 5 -2.283 4.230 -22.343 1.00 0.00 H ATOM 41 N GLY A 6 1.628 2.748 -20.912 1.00 14.92 N ATOM 42 CA GLY A 6 3.020 3.087 -20.677 1.00 15.31 C ATOM 43 C GLY A 6 3.526 2.721 -19.302 1.00 15.19 C ATOM 44 O GLY A 6 2.814 2.140 -18.514 1.00 13.02 O ATOM 45 H GLY A 6 1.285 1.825 -20.578 1.00 0.00 H ATOM 46 N ASN A 7 4.801 3.029 -19.079 1.00 15.58 N ATOM 47 CA ASN A 7 5.443 2.949 -17.773 1.00 16.55 C ATOM 48 C ASN A 7 5.423 4.337 -17.144 1.00 15.74 C ATOM 49 O ASN A 7 5.707 5.336 -17.833 1.00 15.33 O ATOM 50 CB ASN A 7 6.874 2.372 -17.888 1.00 19.05 C ATOM 51 CG ASN A 7 6.850 0.918 -18.308 1.00 21.69 C ATOM 52 OD1 ASN A 7 6.603 0.036 -17.491 1.00 27.74 O ATOM 53 ND2 ASN A 7 6.978 0.675 -19.581 1.00 24.39 N ATOM 54 HD22 ASN A 7 7.188 1.452 -20.240 1.00 0.00 H ATOM 55 HD21 ASN A 7 6.871 -0.296 -19.938 1.00 0.00 H ATOM 56 H ASN A 7 5.375 3.346 -19.886 1.00 0.00 H ATOM 57 N TRP A 8 5.030 4.396 -15.871 1.00 13.94 N ATOM 58 CA TRP A 8 4.873 5.648 -15.154 1.00 14.01 C ATOM 59 C TRP A 8 5.735 5.711 -13.888 1.00 14.90 C ATOM 60 O TRP A 8 5.914 4.752 -13.165 1.00 15.31 O ATOM 61 CB TRP A 8 3.408 5.853 -14.774 1.00 12.90 C ATOM 62 CG TRP A 8 2.520 5.883 -15.941 1.00 12.64 C ATOM 63 CD1 TRP A 8 1.933 4.823 -16.565 1.00 12.24 C ATOM 64 CD2 TRP A 8 2.096 7.058 -16.642 1.00 12.43 C ATOM 65 NE1 TRP A 8 1.186 5.263 -17.633 1.00 12.79 N ATOM 66 CE2 TRP A 8 1.242 6.634 -17.689 1.00 12.30 C ATOM 67 CE3 TRP A 8 2.354 8.434 -16.474 1.00 12.82 C ATOM 68 CZ2 TRP A 8 0.632 7.547 -18.590 1.00 12.64 C ATOM 69 CZ3 TRP A 8 1.789 9.342 -17.386 1.00 12.50 C ATOM 70 CH2 TRP A 8 0.918 8.899 -18.412 1.00 12.30 C ATOM 71 HE1 TRP A 8 0.662 4.654 -18.293 1.00 0.00 H ATOM 72 H TRP A 8 4.827 3.507 -15.371 1.00 0.00 H ATOM 73 N LYS A 9 6.209 6.904 -13.643 1.00 16.29 N ATOM 74 CA LYS A 9 7.253 7.219 -12.703 1.00 17.35 C ATOM 75 C LYS A 9 6.647 8.261 -11.823 1.00 15.23 C ATOM 76 O LYS A 9 6.157 9.238 -12.337 1.00 16.25 O ATOM 77 CB LYS A 9 8.404 7.823 -13.516 1.00 20.82 C ATOM 78 CG LYS A 9 9.703 7.908 -12.772 1.00 24.86 C ATOM 79 CD LYS A 9 10.723 8.742 -13.544 1.00 28.15 C ATOM 80 CE LYS A 9 11.234 8.035 -14.792 1.00 31.33 C ATOM 81 NZ LYS A 9 12.731 7.854 -14.803 1.00 34.93 N ATOM 82 HZ1 LYS A 9 13.192 8.785 -14.758 1.00 0.00 H ATOM 83 HZ2 LYS A 9 13.016 7.285 -13.981 1.00 0.00 H ATOM 84 HZ3 LYS A 9 13.014 7.367 -15.678 1.00 0.00 H ATOM 85 H LYS A 9 5.795 7.696 -14.174 1.00 0.00 H ATOM 86 N ILE A 10 6.694 8.087 -10.509 1.00 14.42 N ATOM 87 CA ILE A 10 6.128 9.071 -9.591 1.00 15.00 C ATOM 88 C ILE A 10 6.963 10.366 -9.488 1.00 14.56 C ATOM 89 O ILE A 10 8.198 10.301 -9.408 1.00 14.85 O ATOM 90 CB ILE A 10 5.808 8.437 -8.188 1.00 15.68 C ATOM 91 CG1 ILE A 10 4.826 9.340 -7.460 1.00 16.64 C ATOM 92 CG2 ILE A 10 7.045 8.230 -7.351 1.00 15.35 C ATOM 93 CD1 ILE A 10 4.154 8.698 -6.318 1.00 17.53 C ATOM 94 H ILE A 10 7.144 7.232 -10.125 1.00 0.00 H ATOM 95 N ILE A 11 6.299 11.524 -9.491 1.00 13.39 N ATOM 96 CA ILE A 11 6.973 12.811 -9.167 1.00 14.34 C ATOM 97 C ILE A 11 6.434 13.557 -7.955 1.00 14.53 C ATOM 98 O ILE A 11 7.188 14.305 -7.330 1.00 16.27 O ATOM 99 CB ILE A 11 7.085 13.775 -10.372 1.00 14.81 C ATOM 100 CG1 ILE A 11 5.704 14.170 -10.913 1.00 14.93 C ATOM 101 CG2 ILE A 11 7.831 13.084 -11.505 1.00 15.52 C ATOM 102 CD1 ILE A 11 5.737 15.406 -11.760 1.00 15.73 C ATOM 103 H ILE A 11 5.286 11.527 -9.725 1.00 0.00 H ATOM 104 N ARG A 12 5.167 13.385 -7.618 1.00 14.97 N ATOM 105 CA ARG A 12 4.593 13.969 -6.386 1.00 16.07 C ATOM 106 C ARG A 12 3.662 12.990 -5.676 1.00 15.03 C ATOM 107 O ARG A 12 2.934 12.267 -6.317 1.00 13.92 O ATOM 108 CB ARG A 12 3.770 15.227 -6.690 1.00 17.00 C ATOM 109 CG ARG A 12 4.590 16.336 -7.258 1.00 18.42 C ATOM 110 CD ARG A 12 5.512 16.954 -6.235 1.00 19.29 C ATOM 111 NE ARG A 12 6.109 18.172 -6.766 1.00 20.44 N ATOM 112 CZ ARG A 12 7.209 18.231 -7.521 1.00 22.18 C ATOM 113 NH1 ARG A 12 7.861 17.156 -7.899 1.00 21.28 N ATOM 114 NH2 ARG A 12 7.667 19.410 -7.920 1.00 23.56 N ATOM 115 HE ARG A 12 5.639 19.071 -6.538 1.00 0.00 H ATOM 116 HH12 ARG A 12 8.714 17.245 -8.487 1.00 0.00 H ATOM 117 HH11 ARG A 12 7.524 16.215 -7.610 1.00 0.00 H ATOM 118 HH22 ARG A 12 8.523 19.463 -8.508 1.00 0.00 H ATOM 119 HH21 ARG A 12 7.170 20.281 -7.645 1.00 0.00 H ATOM 120 H ARG A 12 4.554 12.820 -8.240 1.00 0.00 H ATOM 121 N SER A 13 3.701 13.016 -4.351 1.00 13.97 N ATOM 122 CA SER A 13 2.729 12.318 -3.523 1.00 14.85 C ATOM 123 C SER A 13 2.272 13.226 -2.394 1.00 14.56 C ATOM 124 O SER A 13 3.102 13.730 -1.663 1.00 14.33 O ATOM 125 CB SER A 13 3.322 11.004 -2.983 1.00 15.02 C ATOM 126 OG SER A 13 2.347 10.280 -2.222 1.00 15.48 O ATOM 127 HG SER A 13 2.049 10.834 -1.458 1.00 0.00 H ATOM 128 H SER A 13 4.457 13.557 -3.885 1.00 0.00 H ATOM 129 N GLU A 14 0.966 13.450 -2.274 1.00 14.43 N ATOM 130 CA GLU A 14 0.404 14.187 -1.163 1.00 16.51 C ATOM 131 C GLU A 14 -0.598 13.340 -0.441 1.00 14.69 C ATOM 132 O GLU A 14 -1.426 12.643 -1.049 1.00 13.75 O ATOM 133 CB GLU A 14 -0.264 15.517 -1.582 1.00 19.21 C ATOM 134 CG GLU A 14 0.567 16.442 -2.466 1.00 22.98 C ATOM 135 CD GLU A 14 1.962 16.679 -1.930 1.00 24.81 C ATOM 136 OE1 GLU A 14 2.077 16.969 -0.744 1.00 30.29 O ATOM 137 OE2 GLU A 14 2.941 16.557 -2.686 1.00 32.13 O ATOM 138 H GLU A 14 0.325 13.082 -3.006 1.00 0.00 H ATOM 139 N ASN A 15 -0.530 13.422 0.877 1.00 14.00 N ATOM 140 CA ASN A 15 -1.474 12.768 1.782 1.00 14.06 C ATOM 141 C ASN A 15 -1.481 11.221 1.788 1.00 14.19 C ATOM 142 O ASN A 15 -2.459 10.631 2.261 1.00 13.20 O ATOM 143 CB ASN A 15 -2.904 13.316 1.539 1.00 14.82 C ATOM 144 CG ASN A 15 -3.400 14.180 2.658 1.00 14.92 C ATOM 145 OD1 ASN A 15 -2.634 14.579 3.522 1.00 14.75 O ATOM 146 ND2 ASN A 15 -4.709 14.470 2.646 1.00 14.59 N ATOM 147 HD22 ASN A 15 -5.316 14.103 1.885 1.00 0.00 H ATOM 148 HD21 ASN A 15 -5.117 15.062 3.397 1.00 0.00 H ATOM 149 H ASN A 15 0.239 13.984 1.294 1.00 0.00 H ATOM 150 N PHE A 16 -0.420 10.562 1.294 1.00 14.31 N ATOM 151 CA PHE A 16 -0.408 9.081 1.309 1.00 15.54 C ATOM 152 C PHE A 16 -0.325 8.533 2.731 1.00 16.17 C ATOM 153 O PHE A 16 -1.109 7.674 3.119 1.00 15.34 O ATOM 154 CB PHE A 16 0.716 8.457 0.461 1.00 15.42 C ATOM 155 CG PHE A 16 0.631 6.954 0.374 1.00 14.83 C ATOM 156 CD1 PHE A 16 -0.502 6.342 -0.122 1.00 16.68 C ATOM 157 CD2 PHE A 16 1.677 6.148 0.813 1.00 15.27 C ATOM 158 CE1 PHE A 16 -0.594 4.947 -0.189 1.00 16.99 C ATOM 159 CE2 PHE A 16 1.605 4.757 0.739 1.00 14.83 C ATOM 160 CZ PHE A 16 0.468 4.156 0.254 1.00 15.79 C ATOM 161 H PHE A 16 0.388 11.088 0.904 1.00 0.00 H ATOM 162 N GLU A 17 0.628 9.043 3.492 1.00 17.58 N ATOM 163 CA GLU A 17 0.768 8.636 4.884 1.00 18.20 C ATOM 164 C GLU A 17 -0.447 8.983 5.711 1.00 18.40 C ATOM 165 O GLU A 17 -0.835 8.194 6.551 1.00 16.56 O ATOM 166 CB GLU A 17 2.014 9.187 5.508 1.00 20.42 C ATOM 167 CG GLU A 17 2.138 8.759 6.981 1.00 24.15 C ATOM 168 CD GLU A 17 3.556 8.718 7.511 1.00 27.64 C ATOM 169 OE1 GLU A 17 4.410 9.486 6.999 1.00 29.70 O ATOM 170 OE2 GLU A 17 3.789 7.938 8.493 1.00 33.98 O ATOM 171 H GLU A 17 1.285 9.743 3.093 1.00 0.00 H ATOM 172 N GLU A 18 -1.066 10.139 5.455 1.00 19.24 N ATOM 173 CA GLU A 18 -2.263 10.526 6.194 1.00 20.39 C ATOM 174 C GLU A 18 -3.454 9.667 5.903 1.00 17.81 C ATOM 175 O GLU A 18 -4.159 9.280 6.834 1.00 18.01 O ATOM 176 CB GLU A 18 -2.598 11.997 5.970 1.00 25.76 C ATOM 177 CG GLU A 18 -1.604 12.881 6.733 1.00 31.77 C ATOM 178 CD GLU A 18 -1.742 12.787 8.256 1.00 35.50 C ATOM 179 OE1 GLU A 18 -2.880 12.508 8.762 1.00 34.68 O ATOM 180 OE2 GLU A 18 -0.688 12.974 8.916 1.00 36.57 O ATOM 181 H GLU A 18 -0.690 10.771 4.720 1.00 0.00 H ATOM 182 N LEU A 19 -3.636 9.319 4.629 1.00 15.43 N ATOM 183 CA LEU A 19 -4.596 8.305 4.230 1.00 16.19 C ATOM 184 C LEU A 19 -4.426 6.975 4.982 1.00 15.31 C ATOM 185 O LEU A 19 -5.370 6.481 5.598 1.00 16.20 O ATOM 186 CB LEU A 19 -4.541 8.098 2.703 1.00 16.09 C ATOM 187 CG LEU A 19 -5.528 7.128 2.086 1.00 17.51 C ATOM 188 CD1 LEU A 19 -6.936 7.592 2.323 1.00 19.52 C ATOM 189 CD2 LEU A 19 -5.301 6.883 0.603 1.00 17.30 C ATOM 190 H LEU A 19 -3.070 9.791 3.895 1.00 0.00 H ATOM 191 N LEU A 20 -3.224 6.429 5.000 1.00 14.27 N ATOM 192 CA LEU A 20 -3.000 5.223 5.748 1.00 15.36 C ATOM 193 C LEU A 20 -3.261 5.453 7.252 1.00 16.31 C ATOM 194 O LEU A 20 -3.787 4.564 7.927 1.00 16.66 O ATOM 195 CB LEU A 20 -1.572 4.678 5.519 1.00 16.40 C ATOM 196 CG LEU A 20 -1.153 4.197 4.110 1.00 16.62 C ATOM 197 CD1 LEU A 20 0.254 3.688 4.122 1.00 16.81 C ATOM 198 CD2 LEU A 20 -2.074 3.141 3.541 1.00 17.58 C ATOM 199 H LEU A 20 -2.442 6.870 4.475 1.00 0.00 H ATOM 200 N LYS A 21 -2.881 6.623 7.766 1.00 16.33 N ATOM 201 CA LYS A 21 -2.979 6.899 9.182 1.00 17.78 C ATOM 202 C LYS A 21 -4.433 6.915 9.677 1.00 18.55 C ATOM 203 O LYS A 21 -4.754 6.264 10.675 1.00 17.88 O ATOM 204 CB LYS A 21 -2.267 8.201 9.519 1.00 18.53 C ATOM 205 CG LYS A 21 -2.123 8.423 11.000 1.00 20.37 C ATOM 206 CD LYS A 21 -1.148 9.535 11.274 1.00 21.17 C ATOM 207 CE LYS A 21 -0.986 9.665 12.749 1.00 22.64 C ATOM 208 NZ LYS A 21 -0.225 10.881 13.104 1.00 26.16 N ATOM 209 HZ1 LYS A 21 0.719 10.836 12.671 1.00 0.00 H ATOM 210 HZ2 LYS A 21 -0.730 11.719 12.752 1.00 0.00 H ATOM 211 HZ3 LYS A 21 -0.131 10.940 14.138 1.00 0.00 H ATOM 212 H LYS A 21 -2.504 7.356 7.132 1.00 0.00 H ATOM 213 N VAL A 22 -5.308 7.587 8.939 1.00 19.41 N ATOM 214 CA VAL A 22 -6.724 7.678 9.317 1.00 20.47 C ATOM 215 C VAL A 22 -7.451 6.347 9.132 1.00 21.89 C ATOM 216 O VAL A 22 -8.488 6.107 9.760 1.00 24.78 O ATOM 217 CB VAL A 22 -7.440 8.849 8.604 1.00 21.97 C ATOM 218 CG1 VAL A 22 -6.699 10.171 8.842 1.00 20.98 C ATOM 219 CG2 VAL A 22 -7.647 8.595 7.101 1.00 23.26 C ATOM 220 H VAL A 22 -4.983 8.061 8.072 1.00 0.00 H ATOM 221 N LEU A 23 -6.914 5.476 8.263 1.00 21.49 N ATOM 222 CA LEU A 23 -7.438 4.126 8.077 1.00 22.03 C ATOM 223 C LEU A 23 -6.946 3.166 9.156 1.00 22.50 C ATOM 224 O LEU A 23 -7.338 1.996 9.170 1.00 24.03 O ATOM 225 CB LEU A 23 -7.106 3.569 6.657 1.00 22.52 C ATOM 226 CG LEU A 23 -7.863 4.212 5.481 1.00 22.70 C ATOM 227 CD1 LEU A 23 -7.268 3.859 4.116 1.00 22.56 C ATOM 228 CD2 LEU A 23 -9.375 3.889 5.505 1.00 24.25 C ATOM 229 H LEU A 23 -6.092 5.775 7.700 1.00 0.00 H ATOM 230 N GLY A 24 -6.079 3.630 10.041 1.00 21.90 N ATOM 231 CA GLY A 24 -5.651 2.833 11.187 1.00 23.01 C ATOM 232 C GLY A 24 -4.482 1.904 10.974 1.00 24.13 C ATOM 233 O GLY A 24 -4.244 0.992 11.777 1.00 24.59 O ATOM 234 H GLY A 24 -5.692 4.587 9.917 1.00 0.00 H ATOM 235 N VAL A 25 -3.710 2.124 9.924 1.00 20.95 N ATOM 236 CA VAL A 25 -2.644 1.220 9.648 1.00 21.90 C ATOM 237 C VAL A 25 -1.607 1.431 10.733 1.00 24.16 C ATOM 238 O VAL A 25 -1.271 2.546 11.113 1.00 23.87 O ATOM 239 CB VAL A 25 -2.078 1.438 8.234 1.00 20.55 C ATOM 240 CG1 VAL A 25 -0.833 0.611 8.014 1.00 19.56 C ATOM 241 CG2 VAL A 25 -3.180 1.156 7.211 1.00 20.18 C ATOM 242 H VAL A 25 -3.878 2.945 9.308 1.00 0.00 H ATOM 243 N ASN A 26 -1.167 0.308 11.264 1.00 28.67 N ATOM 244 CA ASN A 26 -0.159 0.256 12.263 1.00 30.33 C ATOM 245 C ASN A 26 1.061 1.063 11.820 1.00 31.06 C ATOM 246 O ASN A 26 1.612 0.822 10.746 1.00 27.13 O ATOM 247 CB ASN A 26 0.177 -1.219 12.460 1.00 32.94 C ATOM 248 CG ASN A 26 1.373 -1.420 13.317 1.00 36.35 C ATOM 249 OD1 ASN A 26 2.511 -1.248 12.858 1.00 34.19 O ATOM 250 ND2 ASN A 26 1.137 -1.812 14.578 1.00 38.63 N ATOM 251 HD22 ASN A 26 0.159 -1.940 14.908 1.00 0.00 H ATOM 252 HD21 ASN A 26 1.932 -1.988 15.225 1.00 0.00 H ATOM 253 H ASN A 26 -1.580 -0.588 10.934 1.00 0.00 H ATOM 254 N VAL A 27 1.480 1.997 12.668 1.00 30.59 N ATOM 255 CA VAL A 27 2.647 2.842 12.426 1.00 30.18 C ATOM 256 C VAL A 27 3.935 2.120 11.937 1.00 31.20 C ATOM 257 O VAL A 27 4.657 2.678 11.115 1.00 27.52 O ATOM 258 CB VAL A 27 2.946 3.700 13.689 1.00 33.28 C ATOM 259 CG1 VAL A 27 3.350 2.814 14.869 1.00 35.34 C ATOM 260 CG2 VAL A 27 4.017 4.758 13.412 1.00 33.33 C ATOM 261 H VAL A 27 0.948 2.134 13.551 1.00 0.00 H ATOM 262 N MET A 28 4.225 0.898 12.421 1.00 31.23 N ATOM 263 CA MET A 28 5.404 0.120 11.942 1.00 30.87 C ATOM 264 C MET A 28 5.226 -0.326 10.490 1.00 24.83 C ATOM 265 O MET A 28 6.125 -0.154 9.663 1.00 21.79 O ATOM 266 CB MET A 28 5.807 -1.028 12.911 1.00 37.00 C ATOM 267 CG MET A 28 5.138 -2.410 12.843 1.00 46.88 C ATOM 268 SD MET A 28 4.649 -3.093 14.476 1.00 54.15 S ATOM 269 CE MET A 28 6.229 -3.214 15.321 1.00 47.48 C ATOM 270 H MET A 28 3.609 0.484 13.150 1.00 0.00 H ATOM 271 N LEU A 29 4.026 -0.768 10.155 1.00 21.42 N ATOM 272 CA LEU A 29 3.721 -1.129 8.780 1.00 22.72 C ATOM 273 C LEU A 29 3.588 0.132 7.919 1.00 20.84 C ATOM 274 O LEU A 29 3.972 0.122 6.784 1.00 18.61 O ATOM 275 CB LEU A 29 2.435 -1.965 8.717 1.00 23.60 C ATOM 276 CG LEU A 29 2.509 -3.315 9.416 1.00 24.90 C ATOM 277 CD1 LEU A 29 1.252 -4.111 9.132 1.00 25.10 C ATOM 278 CD2 LEU A 29 3.738 -4.076 8.927 1.00 26.57 C ATOM 279 H LEU A 29 3.290 -0.859 10.885 1.00 0.00 H ATOM 280 N ARG A 30 3.069 1.212 8.489 1.00 20.21 N ATOM 281 CA ARG A 30 2.863 2.453 7.737 1.00 19.46 C ATOM 282 C ARG A 30 4.171 3.001 7.206 1.00 17.80 C ATOM 283 O ARG A 30 4.237 3.364 6.079 1.00 17.39 O ATOM 284 CB ARG A 30 2.164 3.494 8.616 1.00 19.68 C ATOM 285 CG ARG A 30 1.402 4.526 7.837 1.00 20.59 C ATOM 286 CD ARG A 30 0.600 5.415 8.749 1.00 21.12 C ATOM 287 NE ARG A 30 1.421 6.222 9.657 1.00 23.37 N ATOM 288 CZ ARG A 30 1.263 6.338 10.985 1.00 23.32 C ATOM 289 NH1 ARG A 30 0.344 5.637 11.655 1.00 23.52 N ATOM 290 NH2 ARG A 30 2.058 7.178 11.654 1.00 22.08 N ATOM 291 HE ARG A 30 2.203 6.758 9.230 1.00 0.00 H ATOM 292 HH12 ARG A 30 0.250 5.753 12.684 1.00 0.00 H ATOM 293 HH11 ARG A 30 -0.278 4.976 11.147 1.00 0.00 H ATOM 294 HH22 ARG A 30 1.954 7.284 12.683 1.00 0.00 H ATOM 295 HH21 ARG A 30 2.781 7.726 11.145 1.00 0.00 H ATOM 296 H ARG A 30 2.802 1.177 9.494 1.00 0.00 H ATOM 297 N LYS A 31 5.225 2.979 7.991 1.00 19.19 N ATOM 298 CA LYS A 31 6.519 3.522 7.544 1.00 19.80 C ATOM 299 C LYS A 31 7.129 2.694 6.397 1.00 20.17 C ATOM 300 O LYS A 31 7.778 3.266 5.480 1.00 19.60 O ATOM 301 CB LYS A 31 7.518 3.608 8.701 1.00 21.34 C ATOM 302 CG LYS A 31 7.105 4.515 9.853 1.00 22.51 C ATOM 303 CD LYS A 31 6.610 5.885 9.418 1.00 22.94 C ATOM 304 CE LYS A 31 6.106 6.656 10.630 1.00 23.54 C ATOM 305 NZ LYS A 31 5.950 8.099 10.340 1.00 23.93 N ATOM 306 HZ1 LYS A 31 6.869 8.496 10.060 1.00 0.00 H ATOM 307 HZ2 LYS A 31 5.266 8.224 9.566 1.00 0.00 H ATOM 308 HZ3 LYS A 31 5.605 8.587 11.191 1.00 0.00 H ATOM 309 H LYS A 31 5.144 2.571 8.944 1.00 0.00 H ATOM 310 N ILE A 32 6.935 1.365 6.451 1.00 20.27 N ATOM 311 CA ILE A 32 7.373 0.455 5.358 1.00 18.28 C ATOM 312 C ILE A 32 6.507 0.768 4.129 1.00 15.46 C ATOM 313 O ILE A 32 7.032 0.973 3.080 1.00 15.16 O ATOM 314 CB ILE A 32 7.297 -1.038 5.720 1.00 19.37 C ATOM 315 CG1 ILE A 32 8.249 -1.401 6.877 1.00 20.49 C ATOM 316 CG2 ILE A 32 7.689 -1.890 4.512 1.00 18.64 C ATOM 317 CD1 ILE A 32 7.845 -2.654 7.608 1.00 20.15 C ATOM 318 H ILE A 32 6.463 0.959 7.284 1.00 0.00 H ATOM 319 N ALA A 33 5.194 0.902 4.280 1.00 14.92 N ATOM 320 CA ALA A 33 4.302 1.195 3.142 1.00 15.08 C ATOM 321 C ALA A 33 4.616 2.537 2.451 1.00 17.45 C ATOM 322 O ALA A 33 4.612 2.632 1.199 1.00 16.11 O ATOM 323 CB ALA A 33 2.851 1.182 3.597 1.00 14.65 C ATOM 324 H ALA A 33 4.782 0.797 5.229 1.00 0.00 H ATOM 325 N VAL A 34 4.918 3.563 3.256 1.00 17.92 N ATOM 326 CA VAL A 34 5.224 4.883 2.737 1.00 19.73 C ATOM 327 C VAL A 34 6.519 4.868 1.949 1.00 19.49 C ATOM 328 O VAL A 34 6.579 5.422 0.845 1.00 19.49 O ATOM 329 CB VAL A 34 5.205 5.957 3.832 1.00 20.23 C ATOM 330 CG1 VAL A 34 5.731 7.285 3.321 1.00 21.96 C ATOM 331 CG2 VAL A 34 3.783 6.121 4.305 1.00 20.80 C ATOM 332 H VAL A 34 4.934 3.409 4.284 1.00 0.00 H ATOM 333 N ALA A 35 7.530 4.222 2.498 1.00 20.70 N ATOM 334 CA ALA A 35 8.823 4.170 1.846 1.00 21.23 C ATOM 335 C ALA A 35 8.770 3.374 0.529 1.00 21.89 C ATOM 336 O ALA A 35 9.372 3.785 -0.462 1.00 23.15 O ATOM 337 CB ALA A 35 9.829 3.574 2.797 1.00 22.50 C ATOM 338 H ALA A 35 7.397 3.743 3.412 1.00 0.00 H ATOM 339 N ALA A 36 8.021 2.266 0.521 1.00 21.22 N ATOM 340 CA ALA A 36 7.831 1.444 -0.675 1.00 21.43 C ATOM 341 C ALA A 36 7.048 2.204 -1.758 1.00 20.32 C ATOM 342 O ALA A 36 7.415 2.194 -2.952 1.00 20.07 O ATOM 343 CB ALA A 36 7.123 0.151 -0.306 1.00 21.60 C ATOM 344 H ALA A 36 7.553 1.976 1.403 1.00 0.00 H ATOM 345 N ALA A 37 6.027 2.931 -1.316 1.00 18.57 N ATOM 346 CA ALA A 37 5.219 3.768 -2.187 1.00 17.60 C ATOM 347 C ALA A 37 5.935 4.989 -2.724 1.00 17.88 C ATOM 348 O ALA A 37 5.444 5.594 -3.649 1.00 17.92 O ATOM 349 CB ALA A 37 3.944 4.188 -1.482 1.00 17.77 C ATOM 350 H ALA A 37 5.796 2.900 -0.302 1.00 0.00 H ATOM 351 N SER A 38 7.090 5.362 -2.188 1.00 19.81 N ATOM 352 CA SER A 38 7.824 6.503 -2.713 1.00 21.44 C ATOM 353 C SER A 38 8.481 6.239 -4.082 1.00 22.32 C ATOM 354 O SER A 38 8.784 7.211 -4.795 1.00 22.66 O ATOM 355 CB SER A 38 8.885 6.960 -1.717 1.00 22.40 C ATOM 356 OG SER A 38 9.959 6.046 -1.700 1.00 24.43 O ATOM 357 HG SER A 38 9.626 5.152 -1.434 1.00 0.00 H ATOM 358 H SER A 38 7.476 4.831 -1.381 1.00 0.00 H ATOM 359 N LYS A 39 8.705 4.959 -4.420 1.00 21.63 N ATOM 360 CA LYS A 39 9.352 4.541 -5.676 1.00 23.39 C ATOM 361 C LYS A 39 8.694 3.308 -6.352 1.00 20.14 C ATOM 362 O LYS A 39 9.356 2.331 -6.645 1.00 19.35 O ATOM 363 CB LYS A 39 10.856 4.315 -5.438 1.00 25.92 C ATOM 364 CG LYS A 39 11.127 3.366 -4.296 1.00 30.47 C ATOM 365 CD LYS A 39 12.580 2.979 -4.210 1.00 32.89 C ATOM 366 CE LYS A 39 12.732 1.949 -3.099 1.00 36.40 C ATOM 367 NZ LYS A 39 14.170 1.630 -2.846 1.00 38.26 N ATOM 368 HZ1 LYS A 39 14.597 1.247 -3.714 1.00 0.00 H ATOM 369 HZ2 LYS A 39 14.672 2.497 -2.565 1.00 0.00 H ATOM 370 HZ3 LYS A 39 14.239 0.926 -2.084 1.00 0.00 H ATOM 371 H LYS A 39 8.404 4.218 -3.755 1.00 0.00 H ATOM 372 N PRO A 40 7.382 3.372 -6.647 1.00 18.30 N ATOM 373 CA PRO A 40 6.748 2.253 -7.302 1.00 17.17 C ATOM 374 C PRO A 40 7.094 2.161 -8.802 1.00 17.20 C ATOM 375 O PRO A 40 7.516 3.151 -9.422 1.00 16.08 O ATOM 376 CB PRO A 40 5.265 2.583 -7.154 1.00 17.10 C ATOM 377 CG PRO A 40 5.199 4.050 -7.231 1.00 18.24 C ATOM 378 CD PRO A 40 6.523 4.571 -6.708 1.00 18.45 C ATOM 379 N ALA A 41 6.906 0.978 -9.364 1.00 17.16 N ATOM 380 CA ALA A 41 7.038 0.765 -10.794 1.00 17.42 C ATOM 381 C ALA A 41 5.634 0.572 -11.247 1.00 16.61 C ATOM 382 O ALA A 41 4.970 -0.306 -10.747 1.00 17.26 O ATOM 383 CB ALA A 41 7.848 -0.479 -11.077 1.00 18.74 C ATOM 384 H ALA A 41 6.654 0.171 -8.759 1.00 0.00 H ATOM 385 N VAL A 42 5.181 1.397 -12.182 1.00 15.63 N ATOM 386 CA VAL A 42 3.794 1.386 -12.669 1.00 14.96 C ATOM 387 C VAL A 42 3.828 1.074 -14.172 1.00 15.50 C ATOM 388 O VAL A 42 4.632 1.682 -14.913 1.00 16.24 O ATOM 389 CB VAL A 42 3.067 2.698 -12.370 1.00 14.81 C ATOM 390 CG1 VAL A 42 1.647 2.686 -12.923 1.00 15.24 C ATOM 391 CG2 VAL A 42 2.993 2.947 -10.867 1.00 15.53 C ATOM 392 H VAL A 42 5.842 2.088 -12.592 1.00 0.00 H ATOM 393 N GLU A 43 3.017 0.101 -14.578 1.00 14.73 N ATOM 394 CA GLU A 43 2.853 -0.287 -15.974 1.00 17.37 C ATOM 395 C GLU A 43 1.377 -0.329 -16.270 1.00 15.46 C ATOM 396 O GLU A 43 0.628 -0.982 -15.552 1.00 15.30 O ATOM 397 CB GLU A 43 3.429 -1.664 -16.270 1.00 20.76 C ATOM 398 CG GLU A 43 3.297 -2.068 -17.746 1.00 26.74 C ATOM 399 CD GLU A 43 3.641 -3.530 -18.020 1.00 33.71 C ATOM 400 OE1 GLU A 43 3.603 -4.370 -17.072 1.00 43.97 O ATOM 401 OE2 GLU A 43 3.944 -3.848 -19.198 1.00 39.64 O ATOM 402 H GLU A 43 2.469 -0.412 -13.859 1.00 0.00 H ATOM 403 N ILE A 44 0.971 0.346 -17.331 1.00 14.77 N ATOM 404 CA ILE A 44 -0.442 0.315 -17.803 1.00 15.09 C ATOM 405 C ILE A 44 -0.502 -0.160 -19.259 1.00 15.54 C ATOM 406 O ILE A 44 0.329 0.236 -20.072 1.00 14.95 O ATOM 407 CB ILE A 44 -1.134 1.684 -17.616 1.00 14.84 C ATOM 408 CG1 ILE A 44 -1.102 2.066 -16.126 1.00 14.78 C ATOM 409 CG2 ILE A 44 -2.544 1.723 -18.235 1.00 14.18 C ATOM 410 CD1 ILE A 44 -1.757 3.381 -15.826 1.00 14.88 C ATOM 411 H ILE A 44 1.662 0.919 -17.855 1.00 0.00 H ATOM 412 N LYS A 45 -1.439 -1.045 -19.558 1.00 15.97 N ATOM 413 CA LYS A 45 -1.745 -1.416 -20.933 1.00 17.73 C ATOM 414 C LYS A 45 -3.225 -1.221 -21.108 1.00 17.94 C ATOM 415 O LYS A 45 -4.020 -1.879 -20.428 1.00 18.74 O ATOM 416 CB LYS A 45 -1.425 -2.873 -21.224 1.00 20.87 C ATOM 417 CG LYS A 45 0.028 -3.260 -21.084 1.00 22.56 C ATOM 418 CD LYS A 45 0.107 -4.790 -21.153 1.00 26.21 C ATOM 419 CE LYS A 45 1.503 -5.326 -20.915 1.00 29.62 C ATOM 420 NZ LYS A 45 2.466 -4.709 -21.875 1.00 32.83 N ATOM 421 HZ1 LYS A 45 2.176 -4.935 -22.848 1.00 0.00 H ATOM 422 HZ2 LYS A 45 2.471 -3.677 -21.744 1.00 0.00 H ATOM 423 HZ3 LYS A 45 3.419 -5.087 -21.699 1.00 0.00 H ATOM 424 H LYS A 45 -1.975 -1.490 -18.786 1.00 0.00 H ATOM 425 N GLN A 46 -3.601 -0.321 -22.006 1.00 17.05 N ATOM 426 CA GLN A 46 -4.992 0.012 -22.214 1.00 17.58 C ATOM 427 C GLN A 46 -5.294 -0.256 -23.643 1.00 19.08 C ATOM 428 O GLN A 46 -4.576 0.201 -24.508 1.00 18.02 O ATOM 429 CB GLN A 46 -5.254 1.466 -21.903 1.00 18.12 C ATOM 430 CG GLN A 46 -6.696 1.915 -22.141 1.00 18.41 C ATOM 431 CD GLN A 46 -6.869 3.401 -21.993 1.00 18.43 C ATOM 432 OE1 GLN A 46 -6.043 4.065 -21.416 1.00 19.14 O ATOM 433 NE2 GLN A 46 -7.983 3.913 -22.469 1.00 19.05 N ATOM 434 HE22 GLN A 46 -8.667 3.303 -22.960 1.00 0.00 H ATOM 435 HE21 GLN A 46 -8.179 4.928 -22.354 1.00 0.00 H ATOM 436 H GLN A 46 -2.875 0.158 -22.576 1.00 0.00 H ATOM 437 N GLU A 47 -6.373 -0.999 -23.866 1.00 22.04 N ATOM 438 CA GLU A 47 -6.927 -1.277 -25.194 1.00 24.79 C ATOM 439 C GLU A 47 -8.423 -0.998 -25.138 1.00 22.72 C ATOM 440 O GLU A 47 -9.195 -1.829 -24.738 1.00 22.72 O ATOM 441 CB GLU A 47 -6.630 -2.733 -25.540 1.00 28.27 C ATOM 442 CG GLU A 47 -5.132 -3.045 -25.480 1.00 31.76 C ATOM 443 CD GLU A 47 -4.805 -4.500 -25.255 1.00 36.34 C ATOM 444 OE1 GLU A 47 -5.291 -5.359 -26.035 1.00 39.87 O ATOM 445 OE2 GLU A 47 -4.042 -4.768 -24.299 1.00 39.41 O ATOM 446 H GLU A 47 -6.857 -1.411 -23.043 1.00 0.00 H ATOM 447 N GLY A 48 -8.814 0.213 -25.488 1.00 23.65 N ATOM 448 CA GLY A 48 -10.198 0.634 -25.365 1.00 24.30 C ATOM 449 C GLY A 48 -10.618 0.790 -23.917 1.00 24.50 C ATOM 450 O GLY A 48 -10.062 1.572 -23.179 1.00 25.60 O ATOM 451 H GLY A 48 -8.112 0.883 -25.862 1.00 0.00 H ATOM 452 N ASP A 49 -11.633 0.054 -23.520 1.00 25.89 N ATOM 453 CA ASP A 49 -12.121 0.084 -22.150 1.00 25.84 C ATOM 454 C ASP A 49 -11.462 -1.037 -21.311 1.00 25.57 C ATOM 455 O ASP A 49 -11.762 -1.183 -20.099 1.00 22.67 O ATOM 456 CB ASP A 49 -13.665 -0.030 -22.154 1.00 28.24 C ATOM 457 CG ASP A 49 -14.388 1.342 -22.226 1.00 31.72 C ATOM 458 OD1 ASP A 49 -13.741 2.410 -22.132 1.00 32.69 O ATOM 459 OD2 ASP A 49 -15.646 1.357 -22.357 1.00 37.19 O ATOM 460 H ASP A 49 -12.102 -0.570 -24.208 1.00 0.00 H ATOM 461 N THR A 50 -10.581 -1.834 -21.941 1.00 23.41 N ATOM 462 CA THR A 50 -9.830 -2.888 -21.234 1.00 24.57 C ATOM 463 C THR A 50 -8.495 -2.339 -20.714 1.00 21.83 C ATOM 464 O THR A 50 -7.696 -1.781 -21.498 1.00 20.65 O ATOM 465 CB THR A 50 -9.575 -4.135 -22.126 1.00 25.34 C ATOM 466 OG1 THR A 50 -10.777 -4.452 -22.846 1.00 26.91 O ATOM 467 CG2 THR A 50 -9.135 -5.353 -21.268 1.00 26.55 C ATOM 468 HG1 THR A 50 -10.619 -5.246 -23.416 1.00 0.00 H ATOM 469 H THR A 50 -10.424 -1.703 -22.961 1.00 0.00 H ATOM 470 N PHE A 51 -8.273 -2.529 -19.407 1.00 20.90 N ATOM 471 CA PHE A 51 -7.097 -2.036 -18.692 1.00 20.35 C ATOM 472 C PHE A 51 -6.357 -3.128 -17.979 1.00 20.14 C ATOM 473 O PHE A 51 -6.963 -3.964 -17.299 1.00 22.21 O ATOM 474 CB PHE A 51 -7.474 -0.986 -17.633 1.00 19.95 C ATOM 475 CG PHE A 51 -7.827 0.339 -18.205 1.00 20.01 C ATOM 476 CD1 PHE A 51 -9.110 0.591 -18.668 1.00 20.32 C ATOM 477 CD2 PHE A 51 -6.872 1.337 -18.304 1.00 21.44 C ATOM 478 CE1 PHE A 51 -9.439 1.823 -19.212 1.00 21.79 C ATOM 479 CE2 PHE A 51 -7.189 2.559 -18.860 1.00 21.57 C ATOM 480 CZ PHE A 51 -8.468 2.805 -19.316 1.00 21.45 C ATOM 481 H PHE A 51 -8.983 -3.062 -18.866 1.00 0.00 H ATOM 482 N TYR A 52 -5.041 -3.090 -18.113 1.00 17.91 N ATOM 483 CA TYR A 52 -4.127 -3.808 -17.252 1.00 18.24 C ATOM 484 C TYR A 52 -3.311 -2.743 -16.510 1.00 17.02 C ATOM 485 O TYR A 52 -2.648 -1.919 -17.171 1.00 15.10 O ATOM 486 CB TYR A 52 -3.223 -4.680 -18.119 1.00 20.06 C ATOM 487 CG TYR A 52 -2.066 -5.282 -17.379 1.00 20.80 C ATOM 488 CD1 TYR A 52 -2.233 -6.451 -16.651 1.00 23.74 C ATOM 489 CD2 TYR A 52 -0.816 -4.693 -17.415 1.00 23.10 C ATOM 490 CE1 TYR A 52 -1.187 -7.010 -15.952 1.00 24.39 C ATOM 491 CE2 TYR A 52 0.249 -5.240 -16.723 1.00 24.72 C ATOM 492 CZ TYR A 52 0.043 -6.418 -16.006 1.00 26.21 C ATOM 493 OH TYR A 52 1.073 -6.986 -15.309 1.00 29.68 O ATOM 494 HH TYR A 52 0.753 -7.810 -14.862 1.00 0.00 H ATOM 495 H TYR A 52 -4.642 -2.512 -18.880 1.00 0.00 H ATOM 496 N ILE A 53 -3.358 -2.759 -15.171 1.00 15.36 N ATOM 497 CA ILE A 53 -2.653 -1.811 -14.351 1.00 15.83 C ATOM 498 C ILE A 53 -1.841 -2.579 -13.313 1.00 16.14 C ATOM 499 O ILE A 53 -2.427 -3.277 -12.465 1.00 15.16 O ATOM 500 CB ILE A 53 -3.569 -0.770 -13.653 1.00 16.96 C ATOM 501 CG1 ILE A 53 -4.377 0.049 -14.681 1.00 16.94 C ATOM 502 CG2 ILE A 53 -2.705 0.203 -12.840 1.00 17.26 C ATOM 503 CD1 ILE A 53 -5.371 1.024 -14.079 1.00 17.90 C ATOM 504 H ILE A 53 -3.931 -3.490 -14.703 1.00 0.00 H ATOM 505 N LYS A 54 -0.506 -2.488 -13.402 1.00 15.37 N ATOM 506 CA LYS A 54 0.376 -3.164 -12.474 1.00 16.90 C ATOM 507 C LYS A 54 1.157 -2.104 -11.713 1.00 16.44 C ATOM 508 O LYS A 54 1.958 -1.368 -12.319 1.00 17.25 O ATOM 509 CB LYS A 54 1.339 -4.123 -13.196 1.00 18.73 C ATOM 510 CG LYS A 54 2.274 -4.874 -12.229 1.00 21.17 C ATOM 511 CD LYS A 54 3.209 -5.920 -12.876 1.00 21.88 C ATOM 512 CE LYS A 54 3.686 -6.865 -11.789 1.00 23.51 C ATOM 513 NZ LYS A 54 4.598 -7.956 -12.246 1.00 26.43 N ATOM 514 HZ1 LYS A 54 4.109 -8.541 -12.953 1.00 0.00 H ATOM 515 HZ2 LYS A 54 5.451 -7.538 -12.670 1.00 0.00 H ATOM 516 HZ3 LYS A 54 4.867 -8.545 -11.432 1.00 0.00 H ATOM 517 H LYS A 54 -0.091 -1.913 -14.163 1.00 0.00 H ATOM 518 N THR A 55 0.947 -2.016 -10.405 1.00 15.95 N ATOM 519 CA THR A 55 1.763 -1.169 -9.542 1.00 16.83 C ATOM 520 C THR A 55 2.604 -2.051 -8.643 1.00 17.38 C ATOM 521 O THR A 55 2.021 -2.773 -7.830 1.00 14.38 O ATOM 522 CB THR A 55 0.892 -0.251 -8.666 1.00 18.44 C ATOM 523 OG1 THR A 55 0.142 0.617 -9.526 1.00 19.32 O ATOM 524 CG2 THR A 55 1.773 0.593 -7.729 1.00 17.40 C ATOM 525 HG1 THR A 55 -0.424 1.215 -8.977 1.00 0.00 H ATOM 526 H THR A 55 0.175 -2.569 -9.982 1.00 0.00 H ATOM 527 N SER A 56 3.940 -2.000 -8.814 1.00 17.34 N ATOM 528 CA SER A 56 4.875 -2.877 -8.109 1.00 20.02 C ATOM 529 C SER A 56 5.739 -2.158 -7.091 1.00 19.55 C ATOM 530 O SER A 56 6.301 -1.116 -7.412 1.00 18.24 O ATOM 531 CB SER A 56 5.840 -3.573 -9.084 1.00 21.53 C ATOM 532 OG SER A 56 5.141 -4.225 -10.123 1.00 26.67 O ATOM 533 HG SER A 56 5.788 -4.662 -10.731 1.00 0.00 H ATOM 534 H SER A 56 4.326 -1.302 -9.481 1.00 0.00 H ATOM 535 N THR A 57 5.819 -2.735 -5.885 1.00 20.93 N ATOM 536 CA THR A 57 6.833 -2.424 -4.860 1.00 22.88 C ATOM 537 C THR A 57 7.162 -3.779 -4.226 1.00 23.45 C ATOM 538 O THR A 57 6.366 -4.720 -4.308 1.00 26.66 O ATOM 539 CB THR A 57 6.316 -1.456 -3.753 1.00 22.84 C ATOM 540 OG1 THR A 57 5.382 -2.145 -2.901 1.00 22.11 O ATOM 541 CG2 THR A 57 5.605 -0.242 -4.316 1.00 21.86 C ATOM 542 HG1 THR A 57 4.617 -2.464 -3.442 1.00 0.00 H ATOM 543 H THR A 57 5.110 -3.460 -5.653 1.00 0.00 H ATOM 544 N THR A 58 8.305 -3.905 -3.590 1.00 25.28 N ATOM 545 CA THR A 58 8.713 -5.213 -3.043 1.00 26.78 C ATOM 546 C THR A 58 7.715 -5.807 -2.074 1.00 26.21 C ATOM 547 O THR A 58 7.585 -7.063 -2.027 1.00 28.99 O ATOM 548 CB THR A 58 10.015 -5.166 -2.243 1.00 27.69 C ATOM 549 OG1 THR A 58 9.832 -4.314 -1.105 1.00 31.55 O ATOM 550 CG2 THR A 58 11.174 -4.686 -3.102 1.00 28.32 C ATOM 551 HG1 THR A 58 10.672 -4.279 -0.582 1.00 0.00 H ATOM 552 H THR A 58 8.925 -3.079 -3.472 1.00 0.00 H ATOM 553 N VAL A 59 7.065 -4.922 -1.293 1.00 21.33 N ATOM 554 CA VAL A 59 6.207 -5.318 -0.206 1.00 19.37 C ATOM 555 C VAL A 59 4.754 -5.332 -0.625 1.00 18.54 C ATOM 556 O VAL A 59 3.922 -5.810 0.128 1.00 17.07 O ATOM 557 CB VAL A 59 6.460 -4.473 1.105 1.00 20.45 C ATOM 558 CG1 VAL A 59 7.904 -4.656 1.609 1.00 19.53 C ATOM 559 CG2 VAL A 59 6.175 -2.964 0.918 1.00 20.76 C ATOM 560 H VAL A 59 7.188 -3.907 -1.484 1.00 0.00 H ATOM 561 N ARG A 60 4.427 -4.859 -1.835 1.00 17.70 N ATOM 562 CA ARG A 60 3.031 -4.915 -2.324 1.00 17.85 C ATOM 563 C ARG A 60 2.963 -4.649 -3.803 1.00 17.73 C ATOM 564 O ARG A 60 3.397 -3.594 -4.290 1.00 18.16 O ATOM 565 CB ARG A 60 2.132 -3.912 -1.598 1.00 19.54 C ATOM 566 CG ARG A 60 0.670 -4.315 -1.631 1.00 21.70 C ATOM 567 CD ARG A 60 -0.214 -3.127 -1.524 1.00 24.33 C ATOM 568 NE ARG A 60 -1.643 -3.446 -1.526 1.00 26.65 N ATOM 569 CZ ARG A 60 -2.608 -2.587 -1.192 1.00 29.34 C ATOM 570 NH1 ARG A 60 -2.299 -1.343 -0.813 1.00 30.18 N ATOM 571 NH2 ARG A 60 -3.887 -2.976 -1.197 1.00 29.64 N ATOM 572 HE ARG A 60 -1.925 -4.407 -1.807 1.00 0.00 H ATOM 573 HH12 ARG A 60 -3.053 -0.676 -0.553 1.00 0.00 H ATOM 574 HH11 ARG A 60 -1.304 -1.042 -0.778 1.00 0.00 H ATOM 575 HH22 ARG A 60 -4.636 -2.303 -0.936 1.00 0.00 H ATOM 576 HH21 ARG A 60 -4.133 -3.951 -1.462 1.00 0.00 H ATOM 577 H ARG A 60 5.165 -4.446 -2.440 1.00 0.00 H ATOM 578 N THR A 61 2.445 -5.627 -4.519 1.00 17.77 N ATOM 579 CA THR A 61 2.216 -5.555 -5.950 1.00 18.17 C ATOM 580 C THR A 61 0.694 -5.718 -6.141 1.00 20.27 C ATOM 581 O THR A 61 0.052 -6.583 -5.520 1.00 19.71 O ATOM 582 CB THR A 61 3.034 -6.583 -6.726 1.00 18.78 C ATOM 583 OG1 THR A 61 4.447 -6.236 -6.627 1.00 20.88 O ATOM 584 CG2 THR A 61 2.606 -6.584 -8.180 1.00 17.90 C ATOM 585 HG1 THR A 61 4.721 -6.239 -5.676 1.00 0.00 H ATOM 586 H THR A 61 2.184 -6.505 -4.027 1.00 0.00 H ATOM 587 N THR A 62 0.107 -4.795 -6.891 1.00 19.22 N ATOM 588 CA THR A 62 -1.302 -4.869 -7.230 1.00 21.33 C ATOM 589 C THR A 62 -1.337 -4.965 -8.743 1.00 21.95 C ATOM 590 O THR A 62 -0.596 -4.264 -9.463 1.00 20.44 O ATOM 591 CB THR A 62 -2.187 -3.760 -6.609 1.00 23.30 C ATOM 592 OG1 THR A 62 -1.815 -2.451 -7.065 1.00 25.70 O ATOM 593 CG2 THR A 62 -2.113 -3.779 -5.049 1.00 23.58 C ATOM 594 HG1 THR A 62 -1.910 -2.406 -8.049 1.00 0.00 H ATOM 595 H THR A 62 0.672 -3.997 -7.246 1.00 0.00 H ATOM 596 N GLU A 63 -2.140 -5.907 -9.211 1.00 22.58 N ATOM 597 CA GLU A 63 -2.195 -6.245 -10.623 1.00 24.51 C ATOM 598 C GLU A 63 -3.674 -6.518 -10.938 1.00 24.64 C ATOM 599 O GLU A 63 -4.237 -7.490 -10.482 1.00 23.74 O ATOM 600 CB GLU A 63 -1.282 -7.447 -10.877 1.00 27.22 C ATOM 601 CG GLU A 63 -0.868 -7.615 -12.312 1.00 30.36 C ATOM 602 CD GLU A 63 -0.069 -8.877 -12.567 1.00 32.97 C ATOM 603 OE1 GLU A 63 0.510 -9.456 -11.619 1.00 33.11 O ATOM 604 OE2 GLU A 63 -0.029 -9.303 -13.739 1.00 34.14 O ATOM 605 H GLU A 63 -2.752 -6.422 -8.546 1.00 0.00 H ATOM 606 N ILE A 64 -4.309 -5.578 -11.627 1.00 23.58 N ATOM 607 CA ILE A 64 -5.747 -5.625 -11.945 1.00 23.11 C ATOM 608 C ILE A 64 -5.904 -5.573 -13.458 1.00 23.80 C ATOM 609 O ILE A 64 -5.157 -4.872 -14.161 1.00 20.17 O ATOM 610 CB ILE A 64 -6.554 -4.496 -11.274 1.00 22.44 C ATOM 611 CG1 ILE A 64 -6.058 -3.089 -11.645 1.00 21.65 C ATOM 612 CG2 ILE A 64 -6.536 -4.655 -9.758 1.00 24.44 C ATOM 613 CD1 ILE A 64 -6.977 -1.993 -11.109 1.00 21.89 C ATOM 614 H ILE A 64 -3.760 -4.761 -11.962 1.00 0.00 H ATOM 615 N ASN A 65 -6.820 -6.389 -13.949 1.00 24.41 N ATOM 616 CA ASN A 65 -7.047 -6.553 -15.360 1.00 26.13 C ATOM 617 C ASN A 65 -8.554 -6.496 -15.499 1.00 25.07 C ATOM 618 O ASN A 65 -9.255 -7.454 -15.176 1.00 24.72 O ATOM 619 CB ASN A 65 -6.461 -7.893 -15.815 1.00 29.25 C ATOM 620 CG ASN A 65 -6.015 -7.865 -17.242 1.00 33.78 C ATOM 621 OD1 ASN A 65 -6.387 -6.957 -18.015 1.00 43.30 O ATOM 622 ND2 ASN A 65 -5.208 -8.854 -17.623 1.00 36.63 N ATOM 623 HD22 ASN A 65 -4.926 -9.587 -16.941 1.00 0.00 H ATOM 624 HD21 ASN A 65 -4.860 -8.893 -18.602 1.00 0.00 H ATOM 625 H ASN A 65 -7.403 -6.938 -13.285 1.00 0.00 H ATOM 626 N PHE A 66 -9.062 -5.331 -15.838 1.00 22.84 N ATOM 627 CA PHE A 66 -10.492 -5.093 -15.750 1.00 21.57 C ATOM 628 C PHE A 66 -10.955 -4.415 -16.990 1.00 22.37 C ATOM 629 O PHE A 66 -10.142 -3.839 -17.752 1.00 21.51 O ATOM 630 CB PHE A 66 -10.810 -4.214 -14.550 1.00 21.12 C ATOM 631 CG PHE A 66 -10.274 -2.801 -14.648 1.00 20.69 C ATOM 632 CD1 PHE A 66 -8.995 -2.487 -14.183 1.00 19.42 C ATOM 633 CD2 PHE A 66 -11.072 -1.750 -15.171 1.00 20.96 C ATOM 634 CE1 PHE A 66 -8.535 -1.193 -14.240 1.00 18.29 C ATOM 635 CE2 PHE A 66 -10.593 -0.448 -15.223 1.00 20.00 C ATOM 636 CZ PHE A 66 -9.320 -0.174 -14.770 1.00 18.78 C ATOM 637 H PHE A 66 -8.433 -4.573 -16.172 1.00 0.00 H ATOM 638 N LYS A 67 -12.265 -4.483 -17.194 1.00 21.81 N ATOM 639 CA LYS A 67 -12.918 -3.731 -18.240 1.00 23.64 C ATOM 640 C LYS A 67 -13.773 -2.674 -17.569 1.00 21.64 C ATOM 641 O LYS A 67 -14.516 -2.968 -16.607 1.00 18.49 O ATOM 642 CB LYS A 67 -13.738 -4.673 -19.139 1.00 26.04 C ATOM 643 CG LYS A 67 -14.278 -4.024 -20.414 1.00 30.17 C ATOM 644 CD LYS A 67 -14.227 -5.008 -21.588 1.00 32.59 C ATOM 645 CE LYS A 67 -15.332 -4.759 -22.589 1.00 35.28 C ATOM 646 NZ LYS A 67 -15.241 -5.824 -23.610 1.00 37.54 N ATOM 647 HZ1 LYS A 67 -14.310 -5.781 -24.072 1.00 0.00 H ATOM 648 HZ2 LYS A 67 -15.361 -6.751 -23.154 1.00 0.00 H ATOM 649 HZ3 LYS A 67 -15.988 -5.687 -24.320 1.00 0.00 H ATOM 650 H LYS A 67 -12.839 -5.097 -16.581 1.00 0.00 H ATOM 651 N VAL A 68 -13.659 -1.438 -18.052 1.00 21.75 N ATOM 652 CA VAL A 68 -14.507 -0.341 -17.564 1.00 24.18 C ATOM 653 C VAL A 68 -15.965 -0.790 -17.634 1.00 24.34 C ATOM 654 O VAL A 68 -16.370 -1.299 -18.656 1.00 27.83 O ATOM 655 CB VAL A 68 -14.353 0.943 -18.398 1.00 23.70 C ATOM 656 CG1 VAL A 68 -15.513 1.913 -18.099 1.00 24.75 C ATOM 657 CG2 VAL A 68 -13.006 1.596 -18.151 1.00 22.53 C ATOM 658 H VAL A 68 -12.954 -1.245 -18.791 1.00 0.00 H ATOM 659 N GLY A 69 -16.721 -0.639 -16.545 1.00 23.87 N ATOM 660 CA GLY A 69 -18.123 -1.067 -16.473 1.00 23.12 C ATOM 661 C GLY A 69 -18.389 -2.531 -16.116 1.00 24.59 C ATOM 662 O GLY A 69 -19.525 -2.994 -16.239 1.00 23.31 O ATOM 663 H GLY A 69 -16.296 -0.196 -15.706 1.00 0.00 H ATOM 664 N GLU A 70 -17.346 -3.278 -15.744 1.00 22.75 N ATOM 665 CA GLU A 70 -17.511 -4.635 -15.302 1.00 25.31 C ATOM 666 C GLU A 70 -16.844 -4.686 -13.921 1.00 27.10 C ATOM 667 O GLU A 70 -15.764 -4.120 -13.724 1.00 24.92 O ATOM 668 CB GLU A 70 -16.947 -5.651 -16.333 1.00 26.34 C ATOM 669 CG GLU A 70 -17.596 -5.454 -17.719 1.00 28.43 C ATOM 670 CD GLU A 70 -17.141 -6.402 -18.826 1.00 30.54 C ATOM 671 OE1 GLU A 70 -16.271 -7.286 -18.612 1.00 30.98 O ATOM 672 OE2 GLU A 70 -17.676 -6.232 -19.952 1.00 31.96 O ATOM 673 H GLU A 70 -16.391 -2.867 -15.775 1.00 0.00 H ATOM 674 N GLU A 71 -17.495 -5.357 -12.972 1.00 29.00 N ATOM 675 CA GLU A 71 -16.993 -5.397 -11.608 1.00 31.80 C ATOM 676 C GLU A 71 -15.794 -6.366 -11.505 1.00 26.38 C ATOM 677 O GLU A 71 -15.713 -7.346 -12.244 1.00 23.56 O ATOM 678 CB GLU A 71 -18.130 -5.735 -10.614 1.00 41.61 C ATOM 679 CG GLU A 71 -18.308 -4.710 -9.475 1.00 45.23 C ATOM 680 CD GLU A 71 -19.606 -4.884 -8.691 1.00 48.18 C ATOM 681 OE1 GLU A 71 -19.980 -6.039 -8.367 1.00 47.42 O ATOM 682 OE2 GLU A 71 -20.269 -3.852 -8.427 1.00 49.89 O ATOM 683 H GLU A 71 -18.374 -5.859 -13.210 1.00 0.00 H ATOM 684 N PHE A 72 -14.826 -6.023 -10.655 1.00 23.78 N ATOM 685 CA PHE A 72 -13.685 -6.890 -10.356 1.00 23.42 C ATOM 686 C PHE A 72 -13.300 -6.848 -8.853 1.00 24.15 C ATOM 687 O PHE A 72 -13.719 -5.957 -8.115 1.00 25.10 O ATOM 688 CB PHE A 72 -12.481 -6.557 -11.226 1.00 22.15 C ATOM 689 CG PHE A 72 -11.938 -5.159 -11.042 1.00 22.02 C ATOM 690 CD1 PHE A 72 -12.572 -4.060 -11.649 1.00 22.05 C ATOM 691 CD2 PHE A 72 -10.755 -4.939 -10.318 1.00 21.83 C ATOM 692 CE1 PHE A 72 -12.066 -2.773 -11.494 1.00 22.34 C ATOM 693 CE2 PHE A 72 -10.247 -3.659 -10.160 1.00 22.33 C ATOM 694 CZ PHE A 72 -10.907 -2.565 -10.741 1.00 22.58 C ATOM 695 H PHE A 72 -14.884 -5.098 -10.183 1.00 0.00 H ATOM 696 N GLU A 73 -12.491 -7.812 -8.429 1.00 24.91 N ATOM 697 CA GLU A 73 -12.044 -7.886 -7.036 1.00 27.41 C ATOM 698 C GLU A 73 -10.668 -7.263 -6.927 1.00 24.11 C ATOM 699 O GLU A 73 -9.801 -7.556 -7.718 1.00 23.00 O ATOM 700 CB GLU A 73 -12.043 -9.345 -6.548 1.00 30.07 C ATOM 701 CG GLU A 73 -11.764 -9.484 -5.063 1.00 34.87 C ATOM 702 CD GLU A 73 -12.019 -10.890 -4.525 1.00 38.35 C ATOM 703 OE1 GLU A 73 -13.100 -11.472 -4.801 1.00 38.40 O ATOM 704 OE2 GLU A 73 -11.142 -11.400 -3.789 1.00 44.70 O ATOM 705 H GLU A 73 -12.166 -8.534 -9.104 1.00 0.00 H ATOM 706 N GLU A 74 -10.477 -6.364 -5.967 1.00 24.65 N ATOM 707 CA GLU A 74 -9.109 -5.958 -5.573 1.00 21.83 C ATOM 708 C GLU A 74 -9.022 -5.782 -4.027 1.00 21.69 C ATOM 709 O GLU A 74 -9.823 -6.365 -3.280 1.00 20.77 O ATOM 710 CB GLU A 74 -8.671 -4.728 -6.364 1.00 20.78 C ATOM 711 CG GLU A 74 -9.588 -3.530 -6.288 1.00 22.07 C ATOM 712 CD GLU A 74 -8.943 -2.239 -6.828 1.00 22.89 C ATOM 713 OE1 GLU A 74 -7.705 -2.206 -6.978 1.00 22.58 O ATOM 714 OE2 GLU A 74 -9.665 -1.241 -7.073 1.00 20.86 O ATOM 715 H GLU A 74 -11.297 -5.941 -5.487 1.00 0.00 H ATOM 716 N GLN A 75 -8.029 -5.040 -3.548 1.00 20.41 N ATOM 717 CA GLN A 75 -7.977 -4.668 -2.140 1.00 20.07 C ATOM 718 C GLN A 75 -8.081 -3.168 -2.061 1.00 19.00 C ATOM 719 O GLN A 75 -7.618 -2.465 -2.962 1.00 17.07 O ATOM 720 CB GLN A 75 -6.654 -5.112 -1.523 1.00 22.15 C ATOM 721 CG GLN A 75 -6.609 -6.591 -1.134 1.00 23.57 C ATOM 722 CD GLN A 75 -5.356 -6.957 -0.340 1.00 24.96 C ATOM 723 OE1 GLN A 75 -4.482 -6.137 -0.108 1.00 26.39 O ATOM 724 NE2 GLN A 75 -5.289 -8.188 0.098 1.00 26.45 N ATOM 725 HE22 GLN A 75 -6.053 -8.860 -0.119 1.00 0.00 H ATOM 726 HE21 GLN A 75 -4.472 -8.495 0.664 1.00 0.00 H ATOM 727 H GLN A 75 -7.276 -4.719 -4.189 1.00 0.00 H ATOM 728 N THR A 76 -8.662 -2.664 -0.985 1.00 17.22 N ATOM 729 CA THR A 76 -8.493 -1.250 -0.651 1.00 17.84 C ATOM 730 C THR A 76 -6.989 -0.884 -0.404 1.00 17.48 C ATOM 731 O THR A 76 -6.113 -1.742 -0.310 1.00 17.77 O ATOM 732 CB THR A 76 -9.335 -0.839 0.596 1.00 17.44 C ATOM 733 OG1 THR A 76 -8.943 -1.626 1.716 1.00 18.20 O ATOM 734 CG2 THR A 76 -10.820 -1.045 0.342 1.00 18.46 C ATOM 735 HG1 THR A 76 -9.096 -2.583 1.515 1.00 0.00 H ATOM 736 H THR A 76 -9.241 -3.275 -0.374 1.00 0.00 H ATOM 737 N VAL A 77 -6.708 0.398 -0.330 1.00 18.10 N ATOM 738 CA VAL A 77 -5.336 0.871 -0.101 1.00 19.56 C ATOM 739 C VAL A 77 -4.724 0.275 1.195 1.00 20.17 C ATOM 740 O VAL A 77 -3.506 0.017 1.242 1.00 19.57 O ATOM 741 CB VAL A 77 -5.286 2.425 -0.137 1.00 19.38 C ATOM 742 CG1 VAL A 77 -6.091 3.022 0.994 1.00 19.45 C ATOM 743 CG2 VAL A 77 -3.859 2.937 -0.144 1.00 19.78 C ATOM 744 H VAL A 77 -7.474 1.093 -0.436 1.00 0.00 H ATOM 745 N ASP A 78 -5.572 0.070 2.218 1.00 20.44 N ATOM 746 CA ASP A 78 -5.159 -0.474 3.515 1.00 22.43 C ATOM 747 C ASP A 78 -5.293 -1.989 3.604 1.00 21.76 C ATOM 748 O ASP A 78 -5.136 -2.545 4.689 1.00 22.47 O ATOM 749 CB ASP A 78 -5.901 0.192 4.691 1.00 21.99 C ATOM 750 CG ASP A 78 -7.395 -0.026 4.649 1.00 23.99 C ATOM 751 OD1 ASP A 78 -8.019 0.248 3.585 1.00 25.77 O ATOM 752 OD2 ASP A 78 -7.958 -0.448 5.677 1.00 25.13 O ATOM 753 H ASP A 78 -6.575 0.310 2.082 1.00 0.00 H ATOM 754 N GLY A 79 -5.599 -2.652 2.494 1.00 21.36 N ATOM 755 CA GLY A 79 -5.449 -4.115 2.404 1.00 22.87 C ATOM 756 C GLY A 79 -6.676 -4.989 2.614 1.00 23.63 C ATOM 757 O GLY A 79 -6.530 -6.195 2.791 1.00 26.81 O ATOM 758 H GLY A 79 -5.953 -2.126 1.669 1.00 0.00 H ATOM 759 N ARG A 80 -7.871 -4.402 2.536 1.00 24.50 N ATOM 760 CA ARG A 80 -9.148 -5.109 2.791 1.00 24.98 C ATOM 761 C ARG A 80 -9.780 -5.496 1.480 1.00 26.83 C ATOM 762 O ARG A 80 -9.796 -4.666 0.578 1.00 23.68 O ATOM 763 CB ARG A 80 -10.101 -4.179 3.520 1.00 28.11 C ATOM 764 CG ARG A 80 -9.500 -3.668 4.827 1.00 30.38 C ATOM 765 CD ARG A 80 -10.490 -2.834 5.593 1.00 33.58 C ATOM 766 NE ARG A 80 -11.604 -3.658 6.051 1.00 38.61 N ATOM 767 CZ ARG A 80 -12.631 -3.207 6.781 1.00 43.04 C ATOM 768 NH1 ARG A 80 -12.698 -1.929 7.143 1.00 45.32 N ATOM 769 NH2 ARG A 80 -13.598 -4.043 7.166 1.00 42.47 N ATOM 770 HE ARG A 80 -11.599 -4.665 5.792 1.00 0.00 H ATOM 771 HH12 ARG A 80 -13.501 -1.591 7.710 1.00 0.00 H ATOM 772 HH11 ARG A 80 -11.947 -1.268 6.859 1.00 0.00 H ATOM 773 HH22 ARG A 80 -14.395 -3.690 7.733 1.00 0.00 H ATOM 774 HH21 ARG A 80 -13.554 -5.047 6.899 1.00 0.00 H ATOM 775 H ARG A 80 -7.909 -3.394 2.283 1.00 0.00 H ATOM 776 N PRO A 81 -10.315 -6.737 1.351 1.00 25.99 N ATOM 777 CA PRO A 81 -10.807 -7.144 0.021 1.00 25.16 C ATOM 778 C PRO A 81 -12.040 -6.363 -0.363 1.00 23.01 C ATOM 779 O PRO A 81 -12.881 -6.096 0.478 1.00 23.44 O ATOM 780 CB PRO A 81 -11.146 -8.638 0.195 1.00 26.01 C ATOM 781 CG PRO A 81 -10.498 -9.041 1.479 1.00 28.19 C ATOM 782 CD PRO A 81 -10.457 -7.818 2.337 1.00 26.58 C ATOM 783 N CYS A 82 -12.139 -5.963 -1.618 1.00 22.30 N ATOM 784 CA CYS A 82 -13.316 -5.225 -2.080 1.00 21.04 C ATOM 785 C CYS A 82 -13.708 -5.635 -3.494 1.00 21.82 C ATOM 786 O CYS A 82 -12.901 -6.237 -4.213 1.00 21.04 O ATOM 787 CB CYS A 82 -13.050 -3.724 -2.043 1.00 21.52 C ATOM 788 SG CYS A 82 -11.732 -3.117 -3.119 1.00 22.19 S ATOM 789 H CYS A 82 -11.371 -6.175 -2.286 1.00 0.00 H ATOM 790 N LYS A 83 -14.937 -5.285 -3.856 1.00 23.79 N ATOM 791 CA LYS A 83 -15.395 -5.292 -5.232 1.00 26.68 C ATOM 792 C LYS A 83 -15.325 -3.895 -5.788 1.00 24.18 C ATOM 793 O LYS A 83 -15.808 -2.959 -5.178 1.00 23.78 O ATOM 794 CB LYS A 83 -16.832 -5.801 -5.324 1.00 30.78 C ATOM 795 CG LYS A 83 -17.136 -6.385 -6.694 1.00 35.58 C ATOM 796 CD LYS A 83 -16.560 -7.785 -6.881 1.00 39.87 C ATOM 797 CE LYS A 83 -16.874 -8.349 -8.261 1.00 42.76 C ATOM 798 NZ LYS A 83 -16.483 -9.789 -8.418 1.00 44.81 N ATOM 799 HZ1 LYS A 83 -15.459 -9.888 -8.265 1.00 0.00 H ATOM 800 HZ2 LYS A 83 -16.996 -10.364 -7.720 1.00 0.00 H ATOM 801 HZ3 LYS A 83 -16.724 -10.110 -9.378 1.00 0.00 H ATOM 802 H LYS A 83 -15.605 -4.991 -3.115 1.00 0.00 H ATOM 803 N SER A 84 -14.739 -3.768 -6.978 1.00 23.65 N ATOM 804 CA SER A 84 -14.494 -2.463 -7.593 1.00 22.29 C ATOM 805 C SER A 84 -15.216 -2.366 -8.915 1.00 21.52 C ATOM 806 O SER A 84 -15.441 -3.372 -9.572 1.00 20.23 O ATOM 807 CB SER A 84 -13.001 -2.287 -7.802 1.00 23.48 C ATOM 808 OG SER A 84 -12.361 -2.162 -6.555 1.00 23.67 O ATOM 809 HG SER A 84 -11.388 -2.047 -6.695 1.00 0.00 H ATOM 810 H SER A 84 -14.446 -4.626 -7.487 1.00 0.00 H ATOM 811 N LEU A 85 -15.624 -1.151 -9.262 1.00 21.31 N ATOM 812 CA LEU A 85 -16.336 -0.876 -10.490 1.00 21.72 C ATOM 813 C LEU A 85 -15.857 0.446 -11.039 1.00 19.38 C ATOM 814 O LEU A 85 -16.062 1.501 -10.412 1.00 17.46 O ATOM 815 CB LEU A 85 -17.863 -0.794 -10.229 1.00 22.35 C ATOM 816 CG LEU A 85 -18.761 -0.369 -11.420 1.00 23.60 C ATOM 817 CD1 LEU A 85 -18.534 -1.252 -12.628 1.00 25.15 C ATOM 818 CD2 LEU A 85 -20.226 -0.416 -11.015 1.00 24.47 C ATOM 819 H LEU A 85 -15.422 -0.359 -8.619 1.00 0.00 H ATOM 820 N VAL A 86 -15.263 0.403 -12.229 1.00 18.93 N ATOM 821 CA VAL A 86 -14.721 1.603 -12.844 1.00 18.52 C ATOM 822 C VAL A 86 -15.696 2.108 -13.907 1.00 20.14 C ATOM 823 O VAL A 86 -16.260 1.326 -14.684 1.00 19.33 O ATOM 824 CB VAL A 86 -13.324 1.353 -13.442 1.00 18.84 C ATOM 825 CG1 VAL A 86 -12.782 2.610 -14.125 1.00 18.60 C ATOM 826 CG2 VAL A 86 -12.338 0.874 -12.374 1.00 19.32 C ATOM 827 H VAL A 86 -15.185 -0.506 -12.728 1.00 0.00 H ATOM 828 N LYS A 87 -15.878 3.427 -13.919 1.00 23.50 N ATOM 829 CA LYS A 87 -16.630 4.144 -14.942 1.00 26.29 C ATOM 830 C LYS A 87 -15.899 5.426 -15.343 1.00 25.17 C ATOM 831 O LYS A 87 -15.074 5.939 -14.606 1.00 23.93 O ATOM 832 CB LYS A 87 -18.043 4.415 -14.423 1.00 29.58 C ATOM 833 CG LYS A 87 -18.802 3.099 -14.208 1.00 33.43 C ATOM 834 CD LYS A 87 -20.301 3.233 -14.301 1.00 37.14 C ATOM 835 CE LYS A 87 -20.830 4.146 -13.195 1.00 42.28 C ATOM 836 NZ LYS A 87 -22.298 4.400 -13.381 1.00 45.85 N ATOM 837 HZ1 LYS A 87 -22.456 4.857 -14.302 1.00 0.00 H ATOM 838 HZ2 LYS A 87 -22.812 3.496 -13.349 1.00 0.00 H ATOM 839 HZ3 LYS A 87 -22.640 5.022 -12.621 1.00 0.00 H ATOM 840 H LYS A 87 -15.456 3.983 -13.148 1.00 0.00 H ATOM 841 N TRP A 88 -16.160 5.902 -16.551 1.00 24.06 N ATOM 842 CA TRP A 88 -15.622 7.178 -16.993 1.00 24.09 C ATOM 843 C TRP A 88 -16.482 8.261 -16.424 1.00 26.89 C ATOM 844 O TRP A 88 -17.698 8.219 -16.595 1.00 30.57 O ATOM 845 CB TRP A 88 -15.624 7.284 -18.515 1.00 22.22 C ATOM 846 CG TRP A 88 -14.647 6.366 -19.168 1.00 21.96 C ATOM 847 CD1 TRP A 88 -14.934 5.218 -19.842 1.00 22.74 C ATOM 848 CD2 TRP A 88 -13.224 6.520 -19.231 1.00 20.85 C ATOM 849 NE1 TRP A 88 -13.787 4.649 -20.326 1.00 22.10 N ATOM 850 CE2 TRP A 88 -12.719 5.423 -19.955 1.00 22.13 C ATOM 851 CE3 TRP A 88 -12.328 7.464 -18.729 1.00 21.00 C ATOM 852 CZ2 TRP A 88 -11.346 5.241 -20.192 1.00 22.47 C ATOM 853 CZ3 TRP A 88 -10.968 7.303 -18.981 1.00 22.04 C ATOM 854 CH2 TRP A 88 -10.492 6.190 -19.712 1.00 21.58 C ATOM 855 HE1 TRP A 88 -13.735 3.773 -20.884 1.00 0.00 H ATOM 856 H TRP A 88 -16.762 5.352 -17.196 1.00 0.00 H ATOM 857 N GLU A 89 -15.877 9.229 -15.746 1.00 28.33 N ATOM 858 CA GLU A 89 -16.634 10.344 -15.153 1.00 32.47 C ATOM 859 C GLU A 89 -16.790 11.424 -16.204 1.00 32.64 C ATOM 860 O GLU A 89 -17.872 11.978 -16.387 1.00 29.49 O ATOM 861 CB GLU A 89 -15.926 10.896 -13.903 1.00 36.21 C ATOM 862 CG GLU A 89 -16.321 12.327 -13.518 1.00 42.36 C ATOM 863 CD GLU A 89 -16.486 12.542 -12.016 1.00 48.24 C ATOM 864 OE1 GLU A 89 -15.489 12.405 -11.261 1.00 50.26 O ATOM 865 OE2 GLU A 89 -17.635 12.875 -11.607 1.00 52.39 O ATOM 866 H GLU A 89 -14.844 9.199 -15.631 1.00 0.00 H ATOM 867 N SER A 90 -15.664 11.729 -16.846 1.00 31.16 N ATOM 868 CA SER A 90 -15.577 12.624 -17.973 1.00 29.36 C ATOM 869 C SER A 90 -14.734 11.928 -19.074 1.00 30.65 C ATOM 870 O SER A 90 -14.481 10.715 -19.010 1.00 29.70 O ATOM 871 CB SER A 90 -14.933 13.906 -17.501 1.00 28.59 C ATOM 872 OG SER A 90 -13.600 13.683 -17.114 1.00 28.83 O ATOM 873 HG SER A 90 -13.199 14.535 -16.809 1.00 0.00 H ATOM 874 H SER A 90 -14.783 11.290 -16.510 1.00 0.00 H ATOM 875 N GLU A 91 -14.316 12.701 -20.068 1.00 30.56 N ATOM 876 CA GLU A 91 -13.568 12.212 -21.220 1.00 32.64 C ATOM 877 C GLU A 91 -12.192 11.746 -20.862 1.00 31.11 C ATOM 878 O GLU A 91 -11.706 10.830 -21.525 1.00 31.78 O ATOM 879 CB GLU A 91 -13.377 13.308 -22.289 1.00 35.83 C ATOM 880 CG GLU A 91 -14.661 13.864 -22.893 1.00 40.07 C ATOM 881 CD GLU A 91 -15.277 12.970 -23.931 1.00 44.45 C ATOM 882 OE1 GLU A 91 -14.751 12.914 -25.075 1.00 43.66 O ATOM 883 OE2 GLU A 91 -16.299 12.345 -23.589 1.00 45.28 O ATOM 884 H GLU A 91 -14.535 13.717 -20.023 1.00 0.00 H ATOM 885 N ASN A 92 -11.542 12.386 -19.873 1.00 30.53 N ATOM 886 CA ASN A 92 -10.170 11.995 -19.491 1.00 30.04 C ATOM 887 C ASN A 92 -10.026 11.522 -18.049 1.00 26.06 C ATOM 888 O ASN A 92 -8.891 11.441 -17.588 1.00 24.10 O ATOM 889 CB ASN A 92 -9.181 13.146 -19.656 1.00 35.68 C ATOM 890 CG ASN A 92 -9.018 13.594 -21.082 1.00 41.38 C ATOM 891 OD1 ASN A 92 -8.479 12.857 -21.947 1.00 39.98 O ATOM 892 ND2 ASN A 92 -9.424 14.848 -21.334 1.00 40.96 N ATOM 893 HD22 ASN A 92 -9.864 15.413 -20.580 1.00 0.00 H ATOM 894 HD21 ASN A 92 -9.298 15.254 -22.283 1.00 0.00 H ATOM 895 H ASN A 92 -12.012 13.166 -19.371 1.00 0.00 H ATOM 896 N LYS A 93 -11.133 11.224 -17.354 1.00 24.68 N ATOM 897 CA LYS A 93 -11.089 10.795 -15.953 1.00 24.10 C ATOM 898 C LYS A 93 -11.890 9.539 -15.665 1.00 22.12 C ATOM 899 O LYS A 93 -13.071 9.493 -15.899 1.00 20.09 O ATOM 900 CB LYS A 93 -11.540 11.920 -15.019 1.00 25.93 C ATOM 901 CG LYS A 93 -11.432 11.560 -13.551 1.00 28.77 C ATOM 902 CD LYS A 93 -11.549 12.799 -12.691 1.00 34.22 C ATOM 903 CE LYS A 93 -11.381 12.452 -11.225 1.00 38.04 C ATOM 904 NZ LYS A 93 -11.028 13.633 -10.385 1.00 42.14 N ATOM 905 HZ1 LYS A 93 -10.131 14.039 -10.720 1.00 0.00 H ATOM 906 HZ2 LYS A 93 -11.781 14.346 -10.458 1.00 0.00 H ATOM 907 HZ3 LYS A 93 -10.926 13.334 -9.394 1.00 0.00 H ATOM 908 H LYS A 93 -12.057 11.300 -17.826 1.00 0.00 H ATOM 909 N MET A 94 -11.230 8.526 -15.110 1.00 20.37 N ATOM 910 CA MET A 94 -11.912 7.301 -14.675 1.00 20.44 C ATOM 911 C MET A 94 -12.008 7.283 -13.154 1.00 19.93 C ATOM 912 O MET A 94 -11.090 7.715 -12.462 1.00 18.13 O ATOM 913 CB MET A 94 -11.180 6.069 -15.192 1.00 20.18 C ATOM 914 CG MET A 94 -9.931 5.692 -14.437 1.00 21.51 C ATOM 915 SD MET A 94 -9.155 4.240 -15.200 1.00 24.41 S ATOM 916 CE MET A 94 -8.292 5.070 -16.497 1.00 23.97 C ATOM 917 H MET A 94 -10.201 8.604 -14.981 1.00 0.00 H ATOM 918 N VAL A 95 -13.119 6.761 -12.650 1.00 20.48 N ATOM 919 CA VAL A 95 -13.444 6.807 -11.238 1.00 19.89 C ATOM 920 C VAL A 95 -13.816 5.389 -10.874 1.00 20.36 C ATOM 921 O VAL A 95 -14.658 4.792 -11.534 1.00 19.15 O ATOM 922 CB VAL A 95 -14.638 7.771 -10.980 1.00 20.28 C ATOM 923 CG1 VAL A 95 -15.149 7.684 -9.547 1.00 21.28 C ATOM 924 CG2 VAL A 95 -14.206 9.189 -11.264 1.00 21.08 C ATOM 925 H VAL A 95 -13.787 6.297 -13.298 1.00 0.00 H ATOM 926 N CYS A 96 -13.214 4.865 -9.798 1.00 21.36 N ATOM 927 CA CYS A 96 -13.478 3.537 -9.272 1.00 20.36 C ATOM 928 C CYS A 96 -14.135 3.639 -7.910 1.00 21.03 C ATOM 929 O CYS A 96 -13.600 4.268 -6.986 1.00 17.90 O ATOM 930 CB CYS A 96 -12.167 2.788 -9.108 1.00 21.78 C ATOM 931 SG CYS A 96 -12.343 1.108 -8.475 1.00 23.29 S ATOM 932 H CYS A 96 -12.509 5.449 -9.305 1.00 0.00 H ATOM 933 N GLU A 97 -15.309 3.035 -7.810 1.00 23.36 N ATOM 934 CA GLU A 97 -16.046 2.896 -6.561 1.00 26.03 C ATOM 935 C GLU A 97 -15.796 1.508 -6.027 1.00 24.43 C ATOM 936 O GLU A 97 -15.841 0.545 -6.780 1.00 24.03 O ATOM 937 CB GLU A 97 -17.552 3.096 -6.818 1.00 30.04 C ATOM 938 CG GLU A 97 -17.946 4.509 -7.196 1.00 33.35 C ATOM 939 CD GLU A 97 -17.576 5.534 -6.118 1.00 39.50 C ATOM 940 OE1 GLU A 97 -17.303 5.137 -4.945 1.00 42.52 O ATOM 941 OE2 GLU A 97 -17.558 6.750 -6.433 1.00 43.75 O ATOM 942 H GLU A 97 -15.730 2.636 -8.674 1.00 0.00 H ATOM 943 N GLN A 98 -15.543 1.411 -4.724 1.00 24.09 N ATOM 944 CA GLN A 98 -15.180 0.155 -4.058 1.00 25.01 C ATOM 945 C GLN A 98 -16.239 -0.246 -3.006 1.00 28.78 C ATOM 946 O GLN A 98 -16.732 0.612 -2.296 1.00 29.63 O ATOM 947 CB GLN A 98 -13.842 0.344 -3.369 1.00 23.24 C ATOM 948 CG GLN A 98 -12.720 0.605 -4.364 1.00 23.31 C ATOM 949 CD GLN A 98 -11.369 0.715 -3.718 1.00 23.00 C ATOM 950 OE1 GLN A 98 -11.246 1.227 -2.590 1.00 21.88 O ATOM 951 NE2 GLN A 98 -10.338 0.231 -4.420 1.00 20.53 N ATOM 952 HE22 GLN A 98 -10.498 -0.186 -5.359 1.00 0.00 H ATOM 953 HE21 GLN A 98 -9.376 0.272 -4.027 1.00 0.00 H ATOM 954 H GLN A 98 -15.606 2.273 -4.146 1.00 0.00 H ATOM 955 N LYS A 99 -16.582 -1.525 -2.909 1.00 32.22 N ATOM 956 CA LYS A 99 -17.456 -1.996 -1.805 1.00 37.36 C ATOM 957 C LYS A 99 -16.820 -3.193 -1.127 1.00 37.49 C ATOM 958 O LYS A 99 -16.345 -4.100 -1.785 1.00 37.19 O ATOM 959 CB LYS A 99 -18.886 -2.308 -2.264 1.00 42.23 C ATOM 960 CG LYS A 99 -19.114 -2.393 -3.768 1.00 46.72 C ATOM 961 CD LYS A 99 -19.311 -1.007 -4.379 1.00 49.33 C ATOM 962 CE LYS A 99 -19.523 -1.023 -5.880 1.00 52.69 C ATOM 963 NZ LYS A 99 -20.332 0.167 -6.287 1.00 54.62 N ATOM 964 HZ1 LYS A 99 -21.254 0.138 -5.807 1.00 0.00 H ATOM 965 HZ2 LYS A 99 -19.827 1.036 -6.019 1.00 0.00 H ATOM 966 HZ3 LYS A 99 -20.475 0.152 -7.317 1.00 0.00 H ATOM 967 H LYS A 99 -16.234 -2.205 -3.615 1.00 0.00 H ATOM 968 N LEU A 100 -16.820 -3.200 0.203 1.00 42.50 N ATOM 969 CA LEU A 100 -16.022 -4.174 0.969 1.00 43.22 C ATOM 970 C LEU A 100 -16.649 -5.556 0.915 1.00 41.54 C ATOM 971 O LEU A 100 -17.878 -5.658 0.979 1.00 36.44 O ATOM 972 CB LEU A 100 -15.914 -3.725 2.416 1.00 44.75 C ATOM 973 CG LEU A 100 -15.175 -2.391 2.561 1.00 47.10 C ATOM 974 CD1 LEU A 100 -15.557 -1.630 3.834 1.00 46.20 C ATOM 975 CD2 LEU A 100 -13.678 -2.654 2.487 1.00 48.63 C ATOM 976 H LEU A 100 -17.397 -2.502 0.714 1.00 0.00 H ATOM 977 N LEU A 101 -15.811 -6.594 0.791 1.00 41.16 N ATOM 978 CA LEU A 101 -16.296 -7.995 0.701 1.00 42.71 C ATOM 979 C LEU A 101 -16.584 -8.616 2.074 1.00 42.78 C ATOM 980 O LEU A 101 -15.667 -8.886 2.856 1.00 45.84 O ATOM 981 CB LEU A 101 -15.306 -8.881 -0.065 1.00 41.28 C ATOM 982 CG LEU A 101 -15.065 -8.522 -1.535 1.00 40.62 C ATOM 983 CD1 LEU A 101 -14.137 -9.546 -2.166 1.00 40.49 C ATOM 984 CD2 LEU A 101 -16.347 -8.364 -2.352 1.00 39.36 C ATOM 985 H LEU A 101 -14.787 -6.413 0.757 1.00 0.00 H TER 986 LEU A 101 ATOM 987 N GLU A 104 -17.688 -4.054 6.553 1.00 49.92 N ATOM 988 CA GLU A 104 -18.118 -2.652 6.513 1.00 50.01 C ATOM 989 C GLU A 104 -16.964 -1.697 6.801 1.00 45.73 C ATOM 990 O GLU A 104 -15.899 -2.117 7.259 1.00 52.61 O ATOM 991 CB GLU A 104 -19.287 -2.431 7.489 1.00 50.10 C ATOM 992 CG GLU A 104 -20.553 -3.167 7.048 1.00 52.90 C ATOM 993 CD GLU A 104 -20.996 -2.772 5.641 1.00 55.91 C ATOM 994 OE1 GLU A 104 -21.500 -3.645 4.878 1.00 56.75 O ATOM 995 OE2 GLU A 104 -20.828 -1.574 5.294 1.00 52.44 O ATOM 996 HN3 GLU A 104 -17.310 -4.273 7.497 1.00 0.00 H ATOM 997 HN2 GLU A 104 -16.949 -4.209 5.838 1.00 0.00 H ATOM 998 HN1 GLU A 104 -18.501 -4.671 6.352 1.00 0.00 H ATOM 999 N GLY A 105 -17.149 -0.415 6.518 1.00 38.73 N ATOM 1000 CA GLY A 105 -16.032 0.500 6.649 1.00 33.45 C ATOM 1001 C GLY A 105 -16.103 1.872 6.000 1.00 29.98 C ATOM 1002 O GLY A 105 -17.186 2.381 5.656 1.00 25.42 O ATOM 1003 H GLY A 105 -18.080 -0.071 6.207 1.00 0.00 H ATOM 1004 N PRO A 106 -14.926 2.497 5.841 1.00 27.53 N ATOM 1005 CA PRO A 106 -14.879 3.816 5.220 1.00 27.32 C ATOM 1006 C PRO A 106 -15.234 3.722 3.744 1.00 28.27 C ATOM 1007 O PRO A 106 -15.126 2.635 3.138 1.00 25.07 O ATOM 1008 CB PRO A 106 -13.439 4.277 5.452 1.00 27.52 C ATOM 1009 CG PRO A 106 -12.666 3.127 6.011 1.00 27.44 C ATOM 1010 CD PRO A 106 -13.616 2.043 6.365 1.00 28.01 C ATOM 1011 N LYS A 107 -15.713 4.826 3.186 1.00 29.95 N ATOM 1012 CA LYS A 107 -16.166 4.841 1.808 1.00 31.89 C ATOM 1013 C LYS A 107 -14.893 5.166 1.027 1.00 28.93 C ATOM 1014 O LYS A 107 -14.351 6.231 1.205 1.00 33.37 O ATOM 1015 CB LYS A 107 -17.254 5.894 1.544 1.00 37.07 C ATOM 1016 CG LYS A 107 -18.267 6.157 2.656 1.00 42.09 C ATOM 1017 CD LYS A 107 -19.509 5.288 2.553 1.00 45.85 C ATOM 1018 CE LYS A 107 -20.442 5.566 3.731 1.00 46.11 C ATOM 1019 NZ LYS A 107 -20.009 4.866 4.976 1.00 46.04 N ATOM 1020 HZ1 LYS A 107 -19.998 3.840 4.809 1.00 0.00 H ATOM 1021 HZ2 LYS A 107 -19.055 5.186 5.238 1.00 0.00 H ATOM 1022 HZ3 LYS A 107 -20.674 5.086 5.745 1.00 0.00 H ATOM 1023 H LYS A 107 -15.765 5.699 3.748 1.00 0.00 H ATOM 1024 N THR A 108 -14.406 4.237 0.207 1.00 25.26 N ATOM 1025 CA THR A 108 -13.136 4.417 -0.499 1.00 24.15 C ATOM 1026 C THR A 108 -13.320 4.407 -1.994 1.00 21.58 C ATOM 1027 O THR A 108 -14.231 3.772 -2.519 1.00 21.29 O ATOM 1028 CB THR A 108 -12.073 3.324 -0.174 1.00 24.46 C ATOM 1029 OG1 THR A 108 -12.598 2.010 -0.422 1.00 22.62 O ATOM 1030 CG2 THR A 108 -11.561 3.447 1.269 1.00 24.92 C ATOM 1031 HG1 THR A 108 -13.394 1.861 0.148 1.00 0.00 H ATOM 1032 H THR A 108 -14.943 3.358 0.064 1.00 0.00 H ATOM 1033 N SER A 109 -12.414 5.097 -2.682 1.00 20.02 N ATOM 1034 CA SER A 109 -12.489 5.231 -4.132 1.00 18.42 C ATOM 1035 C SER A 109 -11.143 5.591 -4.675 1.00 16.23 C ATOM 1036 O SER A 109 -10.273 5.942 -3.921 1.00 15.11 O ATOM 1037 CB SER A 109 -13.495 6.308 -4.533 1.00 20.43 C ATOM 1038 OG SER A 109 -13.170 7.572 -3.998 1.00 21.12 O ATOM 1039 HG SER A 109 -13.157 7.517 -3.010 1.00 0.00 H ATOM 1040 H SER A 109 -11.631 5.553 -2.172 1.00 0.00 H ATOM 1041 N TRP A 110 -10.955 5.418 -5.973 1.00 14.06 N ATOM 1042 CA TRP A 110 -9.779 5.972 -6.624 1.00 14.07 C ATOM 1043 C TRP A 110 -10.154 6.539 -7.992 1.00 14.34 C ATOM 1044 O TRP A 110 -11.177 6.157 -8.564 1.00 14.66 O ATOM 1045 CB TRP A 110 -8.636 4.942 -6.691 1.00 13.49 C ATOM 1046 CG TRP A 110 -8.854 3.685 -7.456 1.00 13.40 C ATOM 1047 CD1 TRP A 110 -9.056 2.455 -6.934 1.00 14.08 C ATOM 1048 CD2 TRP A 110 -8.808 3.506 -8.880 1.00 13.94 C ATOM 1049 NE1 TRP A 110 -9.153 1.502 -7.931 1.00 14.30 N ATOM 1050 CE2 TRP A 110 -8.998 2.124 -9.136 1.00 14.04 C ATOM 1051 CE3 TRP A 110 -8.650 4.382 -9.968 1.00 13.64 C ATOM 1052 CZ2 TRP A 110 -9.065 1.596 -10.453 1.00 14.83 C ATOM 1053 CZ3 TRP A 110 -8.701 3.865 -11.263 1.00 13.91 C ATOM 1054 CH2 TRP A 110 -8.897 2.480 -11.502 1.00 13.83 C ATOM 1055 HE1 TRP A 110 -9.316 0.485 -7.787 1.00 0.00 H ATOM 1056 H TRP A 110 -11.652 4.883 -6.530 1.00 0.00 H ATOM 1057 N THR A 111 -9.362 7.490 -8.475 1.00 14.17 N ATOM 1058 CA THR A 111 -9.582 8.109 -9.780 1.00 13.36 C ATOM 1059 C THR A 111 -8.239 8.174 -10.504 1.00 13.22 C ATOM 1060 O THR A 111 -7.175 8.227 -9.857 1.00 12.66 O ATOM 1061 CB THR A 111 -10.267 9.513 -9.737 1.00 14.33 C ATOM 1062 OG1 THR A 111 -9.353 10.511 -9.307 1.00 15.06 O ATOM 1063 CG2 THR A 111 -11.481 9.585 -8.805 1.00 14.62 C ATOM 1064 HG1 THR A 111 -8.588 10.549 -9.935 1.00 0.00 H ATOM 1065 H THR A 111 -8.554 7.806 -7.902 1.00 0.00 H ATOM 1066 N ARG A 112 -8.285 8.116 -11.832 1.00 11.99 N ATOM 1067 CA ARG A 112 -7.102 8.380 -12.622 1.00 12.94 C ATOM 1068 C ARG A 112 -7.479 9.270 -13.798 1.00 12.73 C ATOM 1069 O ARG A 112 -8.527 9.129 -14.403 1.00 11.46 O ATOM 1070 CB ARG A 112 -6.405 7.074 -13.092 1.00 13.21 C ATOM 1071 CG ARG A 112 -5.739 6.261 -12.020 1.00 13.92 C ATOM 1072 CD ARG A 112 -5.167 4.959 -12.598 1.00 15.52 C ATOM 1073 NE ARG A 112 -4.084 4.412 -11.749 1.00 15.62 N ATOM 1074 CZ ARG A 112 -4.237 3.485 -10.822 1.00 17.44 C ATOM 1075 NH1 ARG A 112 -5.436 2.907 -10.580 1.00 17.90 N ATOM 1076 NH2 ARG A 112 -3.156 3.082 -10.136 1.00 19.28 N ATOM 1077 HE ARG A 112 -3.126 4.789 -11.895 1.00 0.00 H ATOM 1078 HH12 ARG A 112 -5.523 2.179 -9.842 1.00 0.00 H ATOM 1079 HH11 ARG A 112 -6.271 3.190 -11.132 1.00 0.00 H ATOM 1080 HH22 ARG A 112 -3.249 2.353 -9.400 1.00 0.00 H ATOM 1081 HH21 ARG A 112 -2.225 3.499 -10.340 1.00 0.00 H ATOM 1082 H ARG A 112 -9.179 7.879 -12.307 1.00 0.00 H ATOM 1083 N GLU A 113 -6.609 10.213 -14.093 1.00 14.00 N ATOM 1084 CA GLU A 113 -6.805 11.115 -15.214 1.00 15.03 C ATOM 1085 C GLU A 113 -5.501 11.505 -15.823 1.00 14.68 C ATOM 1086 O GLU A 113 -4.458 11.446 -15.165 1.00 13.08 O ATOM 1087 CB GLU A 113 -7.578 12.363 -14.781 1.00 17.24 C ATOM 1088 CG GLU A 113 -6.800 13.346 -13.939 1.00 19.83 C ATOM 1089 CD GLU A 113 -7.747 14.253 -13.145 1.00 23.66 C ATOM 1090 OE1 GLU A 113 -8.172 15.278 -13.714 1.00 26.59 O ATOM 1091 OE2 GLU A 113 -8.060 13.977 -11.963 1.00 25.44 O ATOM 1092 H GLU A 113 -5.757 10.315 -13.506 1.00 0.00 H ATOM 1093 N LEU A 114 -5.581 11.947 -17.079 1.00 15.99 N ATOM 1094 CA LEU A 114 -4.442 12.438 -17.832 1.00 18.24 C ATOM 1095 C LEU A 114 -4.563 13.962 -18.105 1.00 18.41 C ATOM 1096 O LEU A 114 -5.597 14.423 -18.573 1.00 19.29 O ATOM 1097 CB LEU A 114 -4.415 11.747 -19.175 1.00 20.51 C ATOM 1098 CG LEU A 114 -3.560 10.547 -19.407 1.00 23.87 C ATOM 1099 CD1 LEU A 114 -3.400 10.403 -20.932 1.00 25.62 C ATOM 1100 CD2 LEU A 114 -2.183 10.712 -18.798 1.00 23.94 C ATOM 1101 H LEU A 114 -6.511 11.939 -17.544 1.00 0.00 H ATOM 1102 N THR A 115 -3.527 14.734 -17.810 1.00 17.81 N ATOM 1103 CA THR A 115 -3.525 16.170 -18.171 1.00 18.77 C ATOM 1104 C THR A 115 -3.203 16.296 -19.683 1.00 18.88 C ATOM 1105 O THR A 115 -2.664 15.355 -20.308 1.00 15.86 O ATOM 1106 CB THR A 115 -2.495 17.003 -17.393 1.00 19.03 C ATOM 1107 OG1 THR A 115 -1.189 16.625 -17.772 1.00 17.79 O ATOM 1108 CG2 THR A 115 -2.622 16.841 -15.857 1.00 20.27 C ATOM 1109 HG1 THR A 115 -0.531 17.165 -17.267 1.00 0.00 H ATOM 1110 H THR A 115 -2.706 14.326 -17.319 1.00 0.00 H ATOM 1111 N ASN A 116 -3.456 17.479 -20.257 1.00 19.92 N ATOM 1112 CA ASN A 116 -3.002 17.758 -21.625 1.00 21.49 C ATOM 1113 C ASN A 116 -1.497 17.608 -21.826 1.00 22.17 C ATOM 1114 O ASN A 116 -1.077 17.270 -22.918 1.00 23.93 O ATOM 1115 CB ASN A 116 -3.407 19.159 -22.122 1.00 22.97 C ATOM 1116 CG ASN A 116 -3.131 19.322 -23.610 1.00 24.84 C ATOM 1117 OD1 ASN A 116 -3.621 18.534 -24.422 1.00 27.82 O ATOM 1118 ND2 ASN A 116 -2.254 20.274 -23.966 1.00 24.29 N ATOM 1119 HD22 ASN A 116 -1.865 20.918 -23.248 1.00 0.00 H ATOM 1120 HD21 ASN A 116 -1.963 20.368 -24.960 1.00 0.00 H ATOM 1121 H ASN A 116 -3.979 18.207 -19.729 1.00 0.00 H ATOM 1122 N ASP A 117 -0.674 17.852 -20.813 1.00 21.80 N ATOM 1123 CA ASP A 117 0.766 17.570 -20.956 1.00 22.87 C ATOM 1124 C ASP A 117 1.166 16.091 -20.812 1.00 22.80 C ATOM 1125 O ASP A 117 2.327 15.751 -21.051 1.00 23.87 O ATOM 1126 CB ASP A 117 1.576 18.413 -19.975 1.00 26.90 C ATOM 1127 CG ASP A 117 1.321 19.916 -20.155 1.00 30.05 C ATOM 1128 OD1 ASP A 117 1.450 20.472 -21.313 1.00 31.25 O ATOM 1129 OD2 ASP A 117 0.995 20.520 -19.108 1.00 33.52 O ATOM 1130 H ASP A 117 -1.044 18.241 -19.922 1.00 0.00 H ATOM 1131 N GLY A 118 0.222 15.220 -20.463 1.00 20.79 N ATOM 1132 CA GLY A 118 0.458 13.774 -20.347 1.00 20.15 C ATOM 1133 C GLY A 118 0.927 13.337 -18.966 1.00 19.65 C ATOM 1134 O GLY A 118 1.509 12.262 -18.818 1.00 18.89 O ATOM 1135 H GLY A 118 -0.732 15.581 -20.262 1.00 0.00 H ATOM 1136 N GLU A 119 0.656 14.150 -17.959 1.00 18.18 N ATOM 1137 CA GLU A 119 0.890 13.760 -16.576 1.00 19.63 C ATOM 1138 C GLU A 119 -0.323 12.940 -16.099 1.00 17.51 C ATOM 1139 O GLU A 119 -1.471 13.285 -16.387 1.00 15.36 O ATOM 1140 CB GLU A 119 1.070 14.982 -15.664 1.00 23.61 C ATOM 1141 CG GLU A 119 2.155 16.001 -16.073 1.00 25.88 C ATOM 1142 CD GLU A 119 2.382 17.097 -15.002 1.00 30.95 C ATOM 1143 OE1 GLU A 119 1.406 17.508 -14.333 1.00 35.27 O ATOM 1144 OE2 GLU A 119 3.529 17.567 -14.806 1.00 34.00 O ATOM 1145 H GLU A 119 0.265 15.093 -18.160 1.00 0.00 H ATOM 1146 N LEU A 120 -0.067 11.892 -15.328 1.00 15.76 N ATOM 1147 CA LEU A 120 -1.144 11.029 -14.807 1.00 15.06 C ATOM 1148 C LEU A 120 -1.406 11.413 -13.367 1.00 13.93 C ATOM 1149 O LEU A 120 -0.495 11.444 -12.566 1.00 14.20 O ATOM 1150 CB LEU A 120 -0.727 9.556 -14.928 1.00 15.46 C ATOM 1151 CG LEU A 120 -1.601 8.461 -14.330 1.00 17.00 C ATOM 1152 CD1 LEU A 120 -2.992 8.585 -14.862 1.00 19.00 C ATOM 1153 CD2 LEU A 120 -1.047 7.082 -14.637 1.00 17.98 C ATOM 1154 H LEU A 120 0.920 11.673 -15.084 1.00 0.00 H ATOM 1155 N ILE A 121 -2.637 11.736 -13.048 1.00 13.33 N ATOM 1156 CA ILE A 121 -3.002 12.063 -11.695 1.00 13.78 C ATOM 1157 C ILE A 121 -3.887 10.954 -11.110 1.00 13.64 C ATOM 1158 O ILE A 121 -4.977 10.673 -11.609 1.00 13.66 O ATOM 1159 CB ILE A 121 -3.714 13.441 -11.556 1.00 14.52 C ATOM 1160 CG1 ILE A 121 -2.811 14.568 -12.133 1.00 15.16 C ATOM 1161 CG2 ILE A 121 -4.048 13.679 -10.083 1.00 14.15 C ATOM 1162 CD1 ILE A 121 -3.395 15.958 -12.106 1.00 15.87 C ATOM 1163 H ILE A 121 -3.366 11.756 -13.790 1.00 0.00 H ATOM 1164 N LEU A 122 -3.405 10.367 -10.026 1.00 13.21 N ATOM 1165 CA LEU A 122 -4.132 9.384 -9.254 1.00 12.86 C ATOM 1166 C LEU A 122 -4.662 10.033 -7.993 1.00 13.46 C ATOM 1167 O LEU A 122 -3.899 10.650 -7.272 1.00 13.08 O ATOM 1168 CB LEU A 122 -3.204 8.204 -8.901 1.00 12.80 C ATOM 1169 CG LEU A 122 -3.699 7.115 -7.895 1.00 12.95 C ATOM 1170 CD1 LEU A 122 -4.848 6.267 -8.418 1.00 12.72 C ATOM 1171 CD2 LEU A 122 -2.561 6.204 -7.418 1.00 13.31 C ATOM 1172 H LEU A 122 -2.449 10.628 -9.712 1.00 0.00 H ATOM 1173 N THR A 123 -5.957 9.899 -7.712 1.00 14.06 N ATOM 1174 CA THR A 123 -6.387 10.156 -6.352 1.00 15.03 C ATOM 1175 C THR A 123 -6.895 8.908 -5.700 1.00 14.96 C ATOM 1176 O THR A 123 -7.454 8.027 -6.369 1.00 13.74 O ATOM 1177 CB THR A 123 -7.413 11.297 -6.208 1.00 15.81 C ATOM 1178 OG1 THR A 123 -8.701 10.848 -6.568 1.00 17.54 O ATOM 1179 CG2 THR A 123 -7.054 12.468 -7.031 1.00 16.24 C ATOM 1180 HG1 THR A 123 -8.965 10.099 -5.977 1.00 0.00 H ATOM 1181 H THR A 123 -6.639 9.619 -8.446 1.00 0.00 H ATOM 1182 N MET A 124 -6.682 8.836 -4.396 1.00 14.06 N ATOM 1183 CA MET A 124 -7.270 7.758 -3.560 1.00 15.77 C ATOM 1184 C MET A 124 -7.927 8.407 -2.335 1.00 15.80 C ATOM 1185 O MET A 124 -7.288 9.222 -1.687 1.00 14.22 O ATOM 1186 CB MET A 124 -6.228 6.756 -3.117 1.00 15.78 C ATOM 1187 CG MET A 124 -5.483 6.046 -4.260 1.00 16.76 C ATOM 1188 SD MET A 124 -4.213 4.896 -3.674 1.00 18.34 S ATOM 1189 CE MET A 124 -2.799 5.932 -3.513 1.00 16.62 C ATOM 1190 H MET A 124 -6.085 9.556 -3.942 1.00 0.00 H ATOM 1191 N THR A 125 -9.192 8.076 -2.090 1.00 16.09 N ATOM 1192 CA THR A 125 -9.999 8.710 -1.053 1.00 19.61 C ATOM 1193 C THR A 125 -10.474 7.673 -0.044 1.00 19.78 C ATOM 1194 O THR A 125 -10.642 6.501 -0.365 1.00 18.57 O ATOM 1195 CB THR A 125 -11.218 9.405 -1.674 1.00 21.31 C ATOM 1196 OG1 THR A 125 -10.779 10.342 -2.668 1.00 24.61 O ATOM 1197 CG2 THR A 125 -12.004 10.183 -0.662 1.00 23.76 C ATOM 1198 HG1 THR A 125 -11.566 10.790 -3.068 1.00 0.00 H ATOM 1199 H THR A 125 -9.627 7.328 -2.667 1.00 0.00 H ATOM 1200 N ALA A 126 -10.655 8.128 1.188 1.00 22.83 N ATOM 1201 CA ALA A 126 -11.307 7.352 2.277 1.00 25.10 C ATOM 1202 C ALA A 126 -12.055 8.412 3.052 1.00 27.02 C ATOM 1203 O ALA A 126 -11.432 9.285 3.655 1.00 24.68 O ATOM 1204 CB ALA A 126 -10.291 6.663 3.181 1.00 25.28 C ATOM 1205 H ALA A 126 -10.320 9.088 1.407 1.00 0.00 H ATOM 1206 N ASP A 127 -13.371 8.374 2.937 1.00 30.22 N ATOM 1207 CA ASP A 127 -14.233 9.395 3.485 1.00 35.61 C ATOM 1208 C ASP A 127 -13.772 10.806 3.056 1.00 35.89 C ATOM 1209 O ASP A 127 -13.848 11.128 1.852 1.00 36.98 O ATOM 1210 CB ASP A 127 -14.355 9.207 4.997 1.00 37.19 C ATOM 1211 CG ASP A 127 -15.088 7.926 5.365 1.00 42.45 C ATOM 1212 OD1 ASP A 127 -16.098 7.570 4.703 1.00 42.99 O ATOM 1213 OD2 ASP A 127 -14.644 7.270 6.334 1.00 47.47 O ATOM 1214 H ASP A 127 -13.804 7.575 2.431 1.00 0.00 H ATOM 1215 N ASP A 128 -13.254 11.598 4.000 1.00 33.81 N ATOM 1216 CA ASP A 128 -12.887 12.989 3.744 1.00 34.25 C ATOM 1217 C ASP A 128 -11.405 13.191 3.375 1.00 30.80 C ATOM 1218 O ASP A 128 -11.052 14.252 2.857 1.00 34.32 O ATOM 1219 CB ASP A 128 -13.296 13.918 4.904 1.00 35.89 C ATOM 1220 CG ASP A 128 -12.843 13.432 6.250 1.00 41.69 C ATOM 1221 OD1 ASP A 128 -12.701 12.201 6.435 1.00 46.15 O ATOM 1222 OD2 ASP A 128 -12.657 14.288 7.144 1.00 48.98 O ATOM 1223 H ASP A 128 -13.107 11.209 4.953 1.00 0.00 H ATOM 1224 N VAL A 129 -10.567 12.165 3.570 1.00 25.24 N ATOM 1225 CA VAL A 129 -9.141 12.259 3.249 1.00 21.48 C ATOM 1226 C VAL A 129 -8.897 11.856 1.782 1.00 18.94 C ATOM 1227 O VAL A 129 -9.349 10.789 1.350 1.00 16.66 O ATOM 1228 CB VAL A 129 -8.301 11.422 4.230 1.00 21.67 C ATOM 1229 CG1 VAL A 129 -6.820 11.573 3.923 1.00 21.55 C ATOM 1230 CG2 VAL A 129 -8.595 11.878 5.660 1.00 24.33 C ATOM 1231 H VAL A 129 -10.939 11.276 3.961 1.00 0.00 H ATOM 1232 N VAL A 130 -8.227 12.747 1.045 1.00 17.21 N ATOM 1233 CA VAL A 130 -7.841 12.533 -0.338 1.00 16.86 C ATOM 1234 C VAL A 130 -6.316 12.536 -0.465 1.00 14.77 C ATOM 1235 O VAL A 130 -5.680 13.495 -0.080 1.00 14.75 O ATOM 1236 CB VAL A 130 -8.381 13.643 -1.289 1.00 17.25 C ATOM 1237 CG1 VAL A 130 -8.016 13.310 -2.752 1.00 17.49 C ATOM 1238 CG2 VAL A 130 -9.890 13.823 -1.120 1.00 18.11 C ATOM 1239 H VAL A 130 -7.966 13.650 1.490 1.00 0.00 H ATOM 1240 N CYS A 131 -5.770 11.474 -1.044 1.00 13.95 N ATOM 1241 CA CYS A 131 -4.360 11.352 -1.405 1.00 13.31 C ATOM 1242 C CYS A 131 -4.214 11.597 -2.928 1.00 12.38 C ATOM 1243 O CYS A 131 -5.013 11.108 -3.684 1.00 12.42 O ATOM 1244 CB CYS A 131 -3.870 9.945 -1.089 1.00 13.41 C ATOM 1245 SG CYS A 131 -2.273 9.540 -1.866 1.00 16.08 S ATOM 1246 H CYS A 131 -6.393 10.669 -1.257 1.00 0.00 H ATOM 1247 N THR A 132 -3.215 12.366 -3.342 1.00 12.27 N ATOM 1248 CA THR A 132 -3.018 12.746 -4.746 1.00 12.35 C ATOM 1249 C THR A 132 -1.587 12.431 -5.104 1.00 12.03 C ATOM 1250 O THR A 132 -0.671 12.850 -4.437 1.00 12.14 O ATOM 1251 CB THR A 132 -3.333 14.251 -4.982 1.00 13.41 C ATOM 1252 OG1 THR A 132 -4.680 14.502 -4.555 1.00 14.33 O ATOM 1253 CG2 THR A 132 -3.208 14.661 -6.484 1.00 13.67 C ATOM 1254 HG1 THR A 132 -4.766 14.283 -3.593 1.00 0.00 H ATOM 1255 H THR A 132 -2.537 12.717 -2.636 1.00 0.00 H ATOM 1256 N ARG A 133 -1.421 11.688 -6.179 1.00 12.06 N ATOM 1257 CA ARG A 133 -0.130 11.271 -6.690 1.00 11.93 C ATOM 1258 C ARG A 133 -0.066 11.585 -8.201 1.00 11.45 C ATOM 1259 O ARG A 133 -1.022 11.340 -8.939 1.00 11.53 O ATOM 1260 CB ARG A 133 0.042 9.777 -6.378 1.00 12.86 C ATOM 1261 CG ARG A 133 0.243 9.568 -4.859 1.00 14.03 C ATOM 1262 CD ARG A 133 0.056 8.128 -4.417 1.00 15.53 C ATOM 1263 NE ARG A 133 1.058 7.214 -4.926 1.00 17.07 N ATOM 1264 CZ ARG A 133 2.246 6.969 -4.355 1.00 17.46 C ATOM 1265 NH1 ARG A 133 2.628 7.611 -3.264 1.00 18.37 N ATOM 1266 NH2 ARG A 133 3.070 6.083 -4.899 1.00 17.14 N ATOM 1267 HE ARG A 133 0.838 6.706 -5.807 1.00 0.00 H ATOM 1268 HH12 ARG A 133 3.554 7.406 -2.837 1.00 0.00 H ATOM 1269 HH11 ARG A 133 2.003 8.321 -2.833 1.00 0.00 H ATOM 1270 HH22 ARG A 133 3.992 5.891 -4.458 1.00 0.00 H ATOM 1271 HH21 ARG A 133 2.794 5.580 -5.767 1.00 0.00 H ATOM 1272 H ARG A 133 -2.271 11.381 -6.694 1.00 0.00 H ATOM 1273 N VAL A 134 1.033 12.186 -8.617 1.00 10.96 N ATOM 1274 CA VAL A 134 1.255 12.603 -9.972 1.00 10.93 C ATOM 1275 C VAL A 134 2.429 11.808 -10.534 1.00 10.74 C ATOM 1276 O VAL A 134 3.464 11.666 -9.874 1.00 9.90 O ATOM 1277 CB VAL A 134 1.556 14.112 -10.013 1.00 11.25 C ATOM 1278 CG1 VAL A 134 1.677 14.611 -11.421 1.00 11.96 C ATOM 1279 CG2 VAL A 134 0.513 14.893 -9.198 1.00 11.98 C ATOM 1280 H VAL A 134 1.784 12.368 -7.921 1.00 0.00 H ATOM 1281 N TYR A 135 2.261 11.326 -11.783 1.00 11.61 N ATOM 1282 CA TYR A 135 3.260 10.506 -12.481 1.00 11.45 C ATOM 1283 C TYR A 135 3.464 11.052 -13.853 1.00 11.98 C ATOM 1284 O TYR A 135 2.561 11.659 -14.426 1.00 12.54 O ATOM 1285 CB TYR A 135 2.816 9.054 -12.655 1.00 11.60 C ATOM 1286 CG TYR A 135 2.334 8.374 -11.396 1.00 11.87 C ATOM 1287 CD1 TYR A 135 1.107 8.703 -10.844 1.00 12.20 C ATOM 1288 CD2 TYR A 135 3.073 7.379 -10.798 1.00 11.52 C ATOM 1289 CE1 TYR A 135 0.673 8.094 -9.696 1.00 12.02 C ATOM 1290 CE2 TYR A 135 2.616 6.752 -9.639 1.00 12.15 C ATOM 1291 CZ TYR A 135 1.405 7.121 -9.112 1.00 12.04 C ATOM 1292 OH TYR A 135 0.911 6.539 -7.959 1.00 12.80 O ATOM 1293 HH TYR A 135 0.809 5.565 -8.100 1.00 0.00 H ATOM 1294 H TYR A 135 1.374 11.548 -12.279 1.00 0.00 H ATOM 1295 N VAL A 136 4.650 10.769 -14.392 1.00 13.66 N ATOM 1296 CA VAL A 136 5.050 11.070 -15.787 1.00 13.35 C ATOM 1297 C VAL A 136 5.443 9.782 -16.536 1.00 14.11 C ATOM 1298 O VAL A 136 5.952 8.796 -15.932 1.00 13.15 O ATOM 1299 CB VAL A 136 6.247 12.030 -15.861 1.00 14.37 C ATOM 1300 CG1 VAL A 136 5.900 13.395 -15.272 1.00 15.60 C ATOM 1301 CG2 VAL A 136 7.481 11.436 -15.215 1.00 15.43 C ATOM 1302 H VAL A 136 5.351 10.299 -13.785 1.00 0.00 H ATOM 1303 N ARG A 137 5.183 9.761 -17.845 1.00 13.79 N ATOM 1304 CA ARG A 137 5.401 8.582 -18.642 1.00 15.35 C ATOM 1305 C ARG A 137 6.850 8.527 -19.061 1.00 18.34 C ATOM 1306 O ARG A 137 7.363 9.506 -19.590 1.00 16.46 O ATOM 1307 CB ARG A 137 4.492 8.595 -19.862 1.00 15.95 C ATOM 1308 CG ARG A 137 4.487 7.291 -20.677 1.00 16.29 C ATOM 1309 CD ARG A 137 3.186 7.035 -21.475 1.00 17.76 C ATOM 1310 NE ARG A 137 2.594 8.226 -22.048 1.00 18.74 N ATOM 1311 CZ ARG A 137 1.350 8.368 -22.508 1.00 18.45 C ATOM 1312 NH1 ARG A 137 0.477 7.381 -22.592 1.00 17.64 N ATOM 1313 NH2 ARG A 137 1.001 9.562 -22.940 1.00 20.68 N ATOM 1314 HE ARG A 137 3.207 9.064 -22.107 1.00 0.00 H ATOM 1315 HH12 ARG A 137 -0.478 7.562 -22.961 1.00 0.00 H ATOM 1316 HH11 ARG A 137 0.745 6.423 -22.289 1.00 0.00 H ATOM 1317 HH22 ARG A 137 0.042 9.722 -23.308 1.00 0.00 H ATOM 1318 HH21 ARG A 137 1.685 10.345 -22.913 1.00 0.00 H ATOM 1319 H ARG A 137 4.813 10.619 -18.301 1.00 0.00 H ATOM 1320 N GLU A 138 7.495 7.380 -18.839 1.00 22.06 N ATOM 1321 CA GLU A 138 8.884 7.188 -19.227 1.00 27.59 C ATOM 1322 C GLU A 138 8.970 7.050 -20.770 1.00 31.01 C ATOM 1323 O GLU A 138 10.055 7.328 -21.317 1.00 32.59 O ATOM 1324 CB GLU A 138 9.474 5.914 -18.625 1.00 30.13 C ATOM 1325 CG GLU A 138 9.503 5.831 -17.111 1.00 33.61 C ATOM 1326 CD GLU A 138 9.939 4.448 -16.637 1.00 35.07 C ATOM 1327 OE1 GLU A 138 9.358 3.955 -15.656 1.00 38.91 O ATOM 1328 OE2 GLU A 138 10.831 3.834 -17.267 1.00 38.04 O ATOM 1329 OXT GLU A 138 8.007 6.630 -21.462 1.00 26.34 O ATOM 1330 H GLU A 138 6.989 6.599 -18.374 1.00 0.00 H TER 1331 GLU A 138 HETATM 1332 O HOH 1 -12.587 12.781 -25.775 1.00 33.94 O HETATM 1333 O HOH 2 -18.590 -10.621 -9.140 1.00 37.41 O HETATM 1334 O HOH 3 3.915 12.394 -18.820 1.00 22.90 O HETATM 1335 O HOH 4 -11.047 8.536 -23.907 1.00 34.90 O HETATM 1336 O HOH 5 -6.400 -8.646 3.347 1.00 26.07 O HETATM 1337 O HOH 6 -3.834 -6.762 -27.576 1.00 41.87 O HETATM 1338 O HOH 7 -2.082 1.730 -6.957 1.00 27.82 O HETATM 1339 O HOH 8 -14.403 7.665 -0.939 1.00 39.24 O HETATM 1340 O HOH 9 -14.621 -1.791 -13.968 1.00 20.66 O HETATM 1341 O HOH 10 3.264 19.920 -23.120 1.00 30.90 O HETATM 1342 O HOH 11 -16.492 -0.918 -21.331 1.00 48.11 O HETATM 1343 O HOH 12 -2.301 1.726 -26.796 1.00 30.41 O HETATM 1344 O HOH 13 8.038 5.734 -9.483 1.00 26.93 O HETATM 1345 O HOH 14 7.810 2.914 -13.490 1.00 29.62 O HETATM 1346 O HOH 15 -4.378 15.110 -1.980 1.00 19.65 O HETATM 1347 O HOH 16 -7.386 11.579 -10.923 1.00 13.99 O HETATM 1348 O HOH 17 2.077 -3.847 -24.367 1.00 36.69 O HETATM 1349 O HOH 18 -13.275 1.035 2.059 1.00 31.59 O HETATM 1350 O HOH 19 -0.361 3.279 -9.701 1.00 18.28 O HETATM 1351 O HOH 20 8.512 2.571 -20.691 1.00 33.49 O HETATM 1352 O HOH 21 4.600 10.543 4.517 1.00 36.05 O HETATM 1353 O HOH 22 -6.708 -0.463 8.076 1.00 33.99 O HETATM 1354 O HOH 23 -12.596 12.175 -3.488 1.00 39.17 O HETATM 1355 O HOH 24 -3.714 -7.165 -14.127 1.00101.84 O HETATM 1356 O HOH 25 -11.350 16.572 -20.514 1.00 28.05 O HETATM 1357 O HOH 26 8.483 14.117 -4.947 1.00 48.77 O HETATM 1358 O HOH 27 2.050 11.273 0.387 1.00 13.62 O HETATM 1359 O HOH 28 -10.395 9.178 -5.206 1.00 31.05 O HETATM 1360 O HOH 29 -11.730 10.972 8.692 1.00 41.88 O HETATM 1361 O HOH 30 -3.978 -6.810 -7.359 1.00 50.36 O HETATM 1362 O HOH 31 -17.924 3.543 -10.563 1.00 39.12 O HETATM 1363 O HOH 32 -3.945 0.584 -9.191 1.00 38.01 O HETATM 1364 O HOH 33 -8.820 4.791 -1.598 1.00 28.38 O HETATM 1365 O HOH 34 2.380 10.945 2.435 1.00 25.03 O HETATM 1366 O HOH 35 -16.637 -6.185 -26.010 1.00 52.13 O HETATM 1367 O HOH 36 8.934 9.962 -4.277 1.00 39.89 O HETATM 1368 O HOH 37 6.266 -7.496 -4.904 1.00 33.50 O HETATM 1369 O HOH 38 -2.958 4.618 12.139 1.00 24.90 O HETATM 1370 O HOH 39 6.208 4.338 -21.182 1.00 23.07 O HETATM 1371 O HOH 40 -7.533 0.462 -3.924 1.00 28.79 O HETATM 1372 O HOH 41 -8.897 2.060 -1.165 1.00 20.03 O HETATM 1373 O HOH 42 -6.613 1.959 -26.132 1.00 25.45 O HETATM 1374 O HOH 43 -12.332 13.717 -7.789 1.00 34.28 O HETATM 1375 O HOH 44 -1.163 -7.318 -2.975 1.00 30.99 O HETATM 1376 O HOH 45 -5.094 -4.527 -21.576 1.00 38.55 O HETATM 1377 O HOH 46 -9.191 -9.446 -2.761 1.00 35.60 O HETATM 1378 O HOH 47 -1.140 21.838 -21.650 1.00 31.13 O HETATM 1379 O HOH 48 0.572 12.265 4.160 1.00 24.81 O HETATM 1380 O HOH 49 -17.927 4.037 -18.079 1.00 32.01 O HETATM 1381 O HOH 50 -2.477 -1.588 -9.856 1.00 32.92 O HETATM 1382 O HOH 51 3.434 11.189 -22.197 1.00 26.20 O HETATM 1383 O HOH 52 -1.269 5.455 -11.399 1.00 24.45 O HETATM 1384 O HOH 53 -3.620 10.106 -24.627 1.00 44.90 O HETATM 1385 O HOH 54 -4.922 -6.971 -20.732 1.00 43.73 O HETATM 1386 O HOH 55 -5.406 14.889 -21.649 1.00 28.51 O HETATM 1387 O HOH 56 4.544 20.711 -7.750 1.00 35.51 O HETATM 1388 O HOH 57 -20.569 6.396 7.744 1.00 56.33 O HETATM 1389 O HOH 58 4.012 11.053 0.589 1.00 29.30 O HETATM 1390 O HOH 59 10.071 14.415 -9.122 1.00 48.20 O HETATM 1391 O HOH 60 4.676 -3.988 -24.405 1.00 44.09 O HETATM 1392 O HOH 61 -14.042 8.057 -22.755 1.00 34.58 O HETATM 1393 O HOH 62 11.107 10.197 -0.893 1.00 43.04 O HETATM 1394 C4 MOL A 63 2.415 -1.088 0.838 1.00 -0.03 C HETATM 1395 C5 MOL A 63 1.174 -0.480 0.720 1.00 0.03 C HETATM 1396 C6 MOL A 63 0.177 -0.766 1.646 1.00 -0.05 C HETATM 1397 C1 MOL A 63 0.430 -1.629 2.715 1.00 -0.07 C HETATM 1398 C7 MOL A 63 -0.648 -1.920 3.747 1.00 -0.09 C HETATM 1399 C11 MOL A 63 -1.865 -2.559 3.045 1.00 -0.12 C HETATM 1400 H6 MOL A 63 -2.647 -2.771 3.788 1.00 0.00 H HETATM 1401 H7 MOL A 63 -1.557 -3.497 2.559 1.00 0.00 H HETATM 1402 H8 MOL A 63 -2.258 -1.865 2.288 1.00 0.00 H HETATM 1403 C8 MOL A 63 -0.138 -2.820 4.853 1.00 -0.10 C HETATM 1404 C9 MOL A 63 1.076 -3.344 4.852 1.00 0.09 C HETATM 1405 N1 MOL A 63 1.987 -3.092 3.902 1.00 -0.20 N HETATM 1406 C12 MOL A 63 3.361 -3.735 4.001 1.00 0.08 C HETATM 1407 C14 MOL A 63 3.286 -5.243 4.042 1.00 -0.03 C HETATM 1408 H2 MOL A 63 4.302 -5.659 4.113 1.00 0.03 H HETATM 1409 H3 MOL A 63 2.803 -5.611 3.125 1.00 0.03 H HETATM 1410 H4 MOL A 63 2.699 -5.557 4.918 1.00 0.03 H HETATM 1411 C13 MOL A 63 4.192 -3.161 5.113 1.00 -0.03 C HETATM 1412 H15 MOL A 63 4.209 -2.064 5.030 1.00 0.03 H HETATM 1413 H16 MOL A 63 5.219 -3.550 5.042 1.00 0.03 H HETATM 1414 H17 MOL A 63 3.757 -3.449 6.082 1.00 0.03 H HETATM 1415 H14 MOL A 63 3.885 -3.481 3.068 1.00 0.07 H HETATM 1416 C2 MOL A 63 1.691 -2.231 2.814 1.00 0.10 C HETATM 1417 C3 MOL A 63 2.680 -1.920 1.884 1.00 -0.01 C HETATM 1418 H18 MOL A 63 3.671 -2.345 1.994 1.00 0.06 H HETATM 1419 H10 MOL A 63 1.350 -4.015 5.665 1.00 0.16 H HETATM 1420 H9 MOL A 63 -0.801 -3.046 5.687 1.00 0.04 H HETATM 1421 C10 MOL A 63 -1.098 -0.601 4.408 1.00 -0.12 C HETATM 1422 H11 MOL A 63 -0.240 -0.133 4.913 1.00 0.00 H HETATM 1423 H12 MOL A 63 -1.888 -0.811 5.144 1.00 0.00 H HETATM 1424 H13 MOL A 63 -1.487 0.081 3.638 1.00 0.00 H HETATM 1425 H5 MOL A 63 -0.803 -0.316 1.538 1.00 0.07 H HETATM 1426 C15 MOL A 63 0.964 0.308 -0.454 1.00 -0.06 C HETATM 1427 C16 MOL A 63 0.809 0.944 -1.432 1.00 -0.06 C HETATM 1428 C17 MOL A 63 0.683 1.696 -2.645 1.00 0.03 C HETATM 1429 C18 MOL A 63 1.850 1.993 -3.342 1.00 -0.04 C HETATM 1430 C19 MOL A 63 1.808 2.678 -4.540 1.00 -0.05 C HETATM 1431 C20 MOL A 63 0.584 3.063 -5.078 1.00 0.01 C HETATM 1432 C21 MOL A 63 -0.596 2.768 -4.390 1.00 -0.05 C HETATM 1433 C22 MOL A 63 -0.554 2.085 -3.182 1.00 -0.04 C HETATM 1434 H22 MOL A 63 -1.473 1.853 -2.656 1.00 0.06 H HETATM 1435 H21 MOL A 63 -1.551 3.075 -4.802 1.00 0.07 H HETATM 1436 C23 MOL A 63 0.572 3.776 -6.362 1.00 0.06 C HETATM 1437 O1 MOL A 63 -0.448 3.686 -7.059 1.00 -0.56 O HETATM 1438 O2 MOL A 63 1.640 4.385 -6.690 1.00 -0.56 O HETATM 1439 H20 MOL A 63 2.728 2.916 -5.061 1.00 0.07 H HETATM 1440 H19 MOL A 63 2.807 1.682 -2.938 1.00 0.06 H HETATM 1441 H1 MOL A 63 3.179 -0.900 0.093 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 987 988 996 997 998 CONECT 996 987 CONECT 997 987 CONECT 998 987 CONECT 1394 1395 1417 1441 CONECT 1395 1394 1396 1426 CONECT 1396 1395 1397 1425 CONECT 1397 1396 1398 1416 CONECT 1398 1397 1399 1403 1421 CONECT 1399 1398 1400 1401 1402 CONECT 1400 1399 CONECT 1401 1399 CONECT 1402 1399 CONECT 1403 1398 1404 1420 CONECT 1404 1403 1405 1419 CONECT 1405 1404 1406 1416 CONECT 1406 1405 1407 1411 1415 CONECT 1407 1406 1408 1409 1410 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1407 CONECT 1411 1406 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1406 CONECT 1416 1397 1405 1417 CONECT 1417 1394 1416 1418 CONECT 1418 1417 CONECT 1419 1404 CONECT 1420 1403 CONECT 1421 1398 1422 1423 1424 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1421 CONECT 1425 1396 CONECT 1426 1395 1427 CONECT 1427 1426 1428 CONECT 1428 1427 1429 1433 CONECT 1429 1428 1430 1440 CONECT 1430 1429 1431 1439 CONECT 1431 1430 1432 1436 CONECT 1432 1431 1433 1435 CONECT 1433 1428 1432 1434 CONECT 1434 1433 CONECT 1435 1432 CONECT 1436 1431 1437 1438 CONECT 1437 1436 CONECT 1438 1436 CONECT 1439 1430 CONECT 1440 1429 CONECT 1441 1394 MASTER 0 0 0 0 0 0 0 0 1439 2 55 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5ogb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2cbs
RCSB PDB
PDBbind
137aa, >2CBS_1|Chain... at 100%
2fr3
RCSB PDB
PDBbind
137aa, >2FR3_1|Chain... at 100%
2g78
RCSB PDB
PDBbind
137aa, >2G78_1|Chain... at 98%
2g79
RCSB PDB
PDBbind
137aa, >2G79_1|Chain... at 98%
3cbs
RCSB PDB
PDBbind
137aa, >3CBS_1|Chain... at 100%
3cwk
RCSB PDB
PDBbind
137aa, >3CWK_1|Chain... at 96%
4i9r
RCSB PDB
PDBbind
137aa, >4I9R_1|Chain... at 95%
4i9s
RCSB PDB
PDBbind
137aa, >4I9S_1|Chain... at 96%
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
5ogb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cellular retinoic acid-binding protein 2
Ligand Name
9U5
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=34nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem.Biol. Vol. 14: pp. 369-377
Ligand Properties
Formula
C
2
3
H
2
3
NO
2
Molecular Weight
345.434
Exact Mass
345.173
No. of atoms
49
No. of bonds
51
Polar Surface Area
40.54
LOGP Value
6.78 (
Computed with XLOGP3
)
4.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
CC(N1C=CC(c2c1ccc(c2)C#Cc1ccc(cc1)C(=O)O)(C)C)C
InChI String
InChI=1S/C23H23NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-16H,1-4H3,(H,25,26)
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):
P29373
Entrez Gene ID
NCBI Entrez Gene ID:
1382
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com