Browse entries in the PDBbind-CN Database
HEADER 5Y13_COMPLEX COMPND 5Y13_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET UNN A 227 37 ATOM 1 N ARG A -4 -4.012 24.765 6.598 1.00 44.17 N ATOM 2 CA ARG A -4 -5.401 24.389 6.372 1.00 43.95 C ATOM 3 C ARG A -4 -5.750 23.101 7.111 1.00 45.78 C ATOM 4 O ARG A -4 -4.880 22.273 7.388 1.00 49.06 O ATOM 5 CB ARG A -4 -5.672 24.222 4.874 1.00 42.07 C ATOM 6 HN3 ARG A -4 -3.389 24.006 6.256 1.00 0.00 H ATOM 7 HN2 ARG A -4 -3.855 24.912 7.616 1.00 0.00 H ATOM 8 HN1 ARG A -4 -3.804 25.644 6.083 1.00 0.00 H ATOM 9 N GLY A -3 -7.029 22.943 7.433 1.00 45.38 N ATOM 10 CA GLY A -3 -7.514 21.716 8.033 1.00 36.11 C ATOM 11 C GLY A -3 -7.855 20.705 6.956 1.00 33.01 C ATOM 12 O GLY A -3 -7.519 20.900 5.786 1.00 38.30 O ATOM 13 H GLY A -3 -7.698 23.718 7.250 1.00 0.00 H ATOM 14 N SER A -2 -8.529 19.629 7.352 1.00 35.47 N ATOM 15 CA SER A -2 -8.887 18.560 6.427 1.00 31.35 C ATOM 16 C SER A -2 -9.812 19.049 5.318 1.00 31.55 C ATOM 17 O SER A -2 -10.546 20.026 5.480 1.00 37.51 O ATOM 18 CB SER A -2 -9.556 17.405 7.174 1.00 31.19 C ATOM 19 OG SER A -2 -8.709 16.868 8.174 1.00 33.95 O ATOM 20 HG SER A -2 -9.174 16.125 8.635 1.00 0.00 H ATOM 21 H SER A -2 -8.809 19.548 8.350 1.00 0.00 H ATOM 22 N HIS A -1 -9.761 18.356 4.187 1.00 35.45 N ATOM 23 CA HIS A -1 -10.680 18.587 3.086 1.00 34.93 C ATOM 24 C HIS A -1 -11.256 17.236 2.694 1.00 33.87 C ATOM 25 O HIS A -1 -10.588 16.216 2.831 1.00 27.13 O ATOM 26 CB HIS A -1 -9.945 19.209 1.901 1.00 35.02 C ATOM 27 H HIS A -1 -9.035 17.619 4.085 1.00 0.00 H ATOM 28 N MET A 0 -12.494 17.220 2.212 1.00 35.28 N ATOM 29 CA MET A 0 -13.115 15.964 1.797 1.00 28.60 C ATOM 30 C MET A 0 -12.296 15.286 0.686 1.00 32.58 C ATOM 31 O MET A 0 -12.290 14.059 0.570 1.00 28.47 O ATOM 32 CB MET A 0 -14.571 16.200 1.371 1.00 29.10 C ATOM 33 CG MET A 0 -15.358 14.931 1.102 1.00 29.74 C ATOM 34 SD MET A 0 -15.156 14.385 -0.606 1.00 44.25 S ATOM 35 CE MET A 0 -16.088 15.666 -1.432 1.00 35.17 C ATOM 36 H MET A 0 -13.026 18.110 2.129 1.00 0.00 H ATOM 37 N CYS A 1 -11.589 16.093 -0.105 1.00 27.37 N ATOM 38 CA CYS A 1 -10.705 15.580 -1.158 1.00 24.76 C ATOM 39 C CYS A 1 -9.521 14.771 -0.608 1.00 26.06 C ATOM 40 O CYS A 1 -8.829 14.069 -1.358 1.00 20.96 O ATOM 41 CB CYS A 1 -10.194 16.730 -2.032 1.00 38.08 C ATOM 42 SG CYS A 1 -10.712 16.660 -3.776 1.00 35.39 S ATOM 43 H CYS A 1 -11.667 17.121 0.029 1.00 0.00 H ATOM 44 N ASP A 2 -9.289 14.851 0.700 1.00 19.84 N ATOM 45 CA ASP A 2 -8.170 14.128 1.300 1.00 23.93 C ATOM 46 C ASP A 2 -8.325 12.610 1.195 1.00 20.58 C ATOM 47 O ASP A 2 -7.340 11.880 1.326 1.00 21.16 O ATOM 48 CB ASP A 2 -7.951 14.539 2.761 1.00 24.07 C ATOM 49 CG ASP A 2 -7.537 15.994 2.907 1.00 30.65 C ATOM 50 OD1 ASP A 2 -7.053 16.597 1.922 1.00 31.66 O ATOM 51 OD2 ASP A 2 -7.691 16.535 4.019 1.00 36.32 O ATOM 52 H ASP A 2 -9.909 15.432 1.300 1.00 0.00 H ATOM 53 N ALA A 3 -9.548 12.138 0.942 1.00 15.67 N ATOM 54 CA ALA A 3 -9.796 10.706 0.783 1.00 23.13 C ATOM 55 C ALA A 3 -9.150 10.145 -0.488 1.00 19.60 C ATOM 56 O ALA A 3 -8.993 8.924 -0.630 1.00 19.46 O ATOM 57 CB ALA A 3 -11.290 10.414 0.780 1.00 21.10 C ATOM 58 H ALA A 3 -10.342 12.804 0.856 1.00 0.00 H ATOM 59 N PHE A 4 -8.801 11.025 -1.421 1.00 15.36 N ATOM 60 CA PHE A 4 -8.106 10.583 -2.625 1.00 13.66 C ATOM 61 C PHE A 4 -6.597 10.610 -2.439 1.00 15.05 C ATOM 62 O PHE A 4 -5.868 10.001 -3.209 1.00 14.95 O ATOM 63 CB PHE A 4 -8.489 11.443 -3.840 1.00 13.28 C ATOM 64 CG PHE A 4 -9.919 11.296 -4.260 1.00 16.56 C ATOM 65 CD1 PHE A 4 -10.302 10.276 -5.114 1.00 14.16 C ATOM 66 CD2 PHE A 4 -10.882 12.180 -3.810 1.00 18.96 C ATOM 67 CE1 PHE A 4 -11.615 10.137 -5.503 1.00 13.44 C ATOM 68 CE2 PHE A 4 -12.202 12.044 -4.197 1.00 19.59 C ATOM 69 CZ PHE A 4 -12.566 11.025 -5.049 1.00 18.96 C ATOM 70 H PHE A 4 -9.024 12.033 -1.292 1.00 0.00 H ATOM 71 N VAL A 5 -6.125 11.319 -1.419 1.00 12.66 N ATOM 72 CA VAL A 5 -4.696 11.564 -1.264 1.00 10.03 C ATOM 73 C VAL A 5 -3.928 10.292 -0.958 1.00 17.72 C ATOM 74 O VAL A 5 -4.337 9.509 -0.103 1.00 17.52 O ATOM 75 CB VAL A 5 -4.438 12.598 -0.150 1.00 17.87 C ATOM 76 CG1 VAL A 5 -2.963 12.677 0.192 1.00 18.30 C ATOM 77 CG2 VAL A 5 -4.963 13.942 -0.594 1.00 14.62 C ATOM 78 H VAL A 5 -6.788 11.707 -0.718 1.00 0.00 H ATOM 79 N GLY A 6 -2.814 10.092 -1.655 1.00 15.67 N ATOM 80 CA GLY A 6 -1.967 8.943 -1.390 1.00 14.79 C ATOM 81 C GLY A 6 -1.315 8.366 -2.627 1.00 17.13 C ATOM 82 O GLY A 6 -1.343 8.966 -3.700 1.00 14.18 O ATOM 83 H GLY A 6 -2.546 10.767 -2.399 1.00 0.00 H ATOM 84 N THR A 7 -0.721 7.189 -2.476 1.00 12.76 N ATOM 85 CA THR A 7 -0.084 6.519 -3.608 1.00 14.56 C ATOM 86 C THR A 7 -0.884 5.263 -3.945 1.00 14.37 C ATOM 87 O THR A 7 -1.169 4.450 -3.064 1.00 17.76 O ATOM 88 CB THR A 7 1.385 6.149 -3.304 1.00 23.50 C ATOM 89 OG1 THR A 7 2.118 7.327 -2.941 1.00 28.64 O ATOM 90 CG2 THR A 7 2.039 5.519 -4.518 1.00 19.98 C ATOM 91 HG1 THR A 7 3.058 7.083 -2.748 1.00 0.00 H ATOM 92 H THR A 7 -0.709 6.737 -1.539 1.00 0.00 H ATOM 93 N TRP A 8 -1.245 5.123 -5.219 1.00 12.31 N ATOM 94 CA TRP A 8 -2.186 4.105 -5.665 1.00 13.45 C ATOM 95 C TRP A 8 -1.565 3.282 -6.788 1.00 15.30 C ATOM 96 O TRP A 8 -0.760 3.799 -7.570 1.00 17.02 O ATOM 97 CB TRP A 8 -3.473 4.770 -6.188 1.00 13.88 C ATOM 98 CG TRP A 8 -4.192 5.599 -5.172 1.00 11.07 C ATOM 99 CD1 TRP A 8 -4.033 6.935 -4.939 1.00 13.76 C ATOM 100 CD2 TRP A 8 -5.170 5.142 -4.235 1.00 10.92 C ATOM 101 NE1 TRP A 8 -4.863 7.343 -3.919 1.00 13.36 N ATOM 102 CE2 TRP A 8 -5.573 6.259 -3.472 1.00 12.73 C ATOM 103 CE3 TRP A 8 -5.750 3.900 -3.969 1.00 12.49 C ATOM 104 CZ2 TRP A 8 -6.525 6.168 -2.459 1.00 16.29 C ATOM 105 CZ3 TRP A 8 -6.699 3.812 -2.963 1.00 14.63 C ATOM 106 CH2 TRP A 8 -7.072 4.939 -2.218 1.00 16.17 C ATOM 107 HE1 TRP A 8 -4.939 8.312 -3.549 1.00 0.00 H ATOM 108 H TRP A 8 -0.838 5.768 -5.926 1.00 0.00 H ATOM 109 N LYS A 9 -1.931 2.008 -6.878 1.00 11.87 N ATOM 110 CA LYS A 9 -1.437 1.160 -7.970 1.00 12.55 C ATOM 111 C LYS A 9 -2.587 0.449 -8.676 1.00 11.23 C ATOM 112 O LYS A 9 -3.510 -0.040 -8.035 1.00 13.44 O ATOM 113 CB LYS A 9 -0.425 0.135 -7.454 1.00 14.06 C ATOM 114 CG LYS A 9 -0.968 -0.796 -6.407 1.00 16.42 C ATOM 115 CD LYS A 9 -0.023 -1.972 -6.194 1.00 29.52 C ATOM 116 CE LYS A 9 -0.623 -2.996 -5.257 1.00 31.76 C ATOM 117 NZ LYS A 9 -0.841 -2.418 -3.899 1.00 38.61 N ATOM 118 HZ1 LYS A 9 0.069 -2.101 -3.508 1.00 0.00 H ATOM 119 HZ2 LYS A 9 -1.490 -1.609 -3.968 1.00 0.00 H ATOM 120 HZ3 LYS A 9 -1.253 -3.143 -3.277 1.00 0.00 H ATOM 121 H LYS A 9 -2.575 1.607 -6.167 1.00 0.00 H ATOM 122 N LEU A 10 -2.532 0.414 -10.006 1.00 12.00 N ATOM 123 CA LEU A 10 -3.590 -0.194 -10.809 1.00 11.51 C ATOM 124 C LEU A 10 -3.595 -1.696 -10.611 1.00 14.52 C ATOM 125 O LEU A 10 -2.568 -2.338 -10.820 1.00 16.96 O ATOM 126 CB LEU A 10 -3.343 0.087 -12.292 1.00 13.25 C ATOM 127 CG LEU A 10 -4.406 -0.513 -13.199 1.00 12.80 C ATOM 128 CD1 LEU A 10 -5.695 0.275 -13.037 1.00 11.34 C ATOM 129 CD2 LEU A 10 -3.939 -0.527 -14.645 1.00 17.99 C ATOM 130 H LEU A 10 -1.711 0.832 -10.488 1.00 0.00 H ATOM 131 N VAL A 11 -4.736 -2.253 -10.213 1.00 11.64 N ATOM 132 CA VAL A 11 -4.839 -3.700 -10.000 1.00 17.44 C ATOM 133 C VAL A 11 -5.779 -4.403 -10.984 1.00 23.06 C ATOM 134 O VAL A 11 -5.692 -5.618 -11.173 1.00 15.77 O ATOM 135 CB VAL A 11 -5.227 -4.043 -8.539 1.00 18.05 C ATOM 136 CG1 VAL A 11 -4.202 -3.472 -7.580 1.00 16.26 C ATOM 137 CG2 VAL A 11 -6.629 -3.535 -8.202 1.00 16.93 C ATOM 138 H VAL A 11 -5.569 -1.652 -10.050 1.00 0.00 H ATOM 139 N SER A 12 -6.681 -3.651 -11.608 1.00 12.78 N ATOM 140 CA SER A 12 -7.566 -4.240 -12.611 1.00 16.24 C ATOM 141 C SER A 12 -8.037 -3.222 -13.629 1.00 17.74 C ATOM 142 O SER A 12 -8.157 -2.032 -13.341 1.00 13.51 O ATOM 143 CB SER A 12 -8.764 -4.950 -11.976 1.00 16.97 C ATOM 144 OG SER A 12 -9.575 -4.059 -11.245 1.00 23.47 O ATOM 145 HG SER A 12 -9.917 -3.354 -11.850 1.00 0.00 H ATOM 146 H SER A 12 -6.757 -2.639 -11.381 1.00 0.00 H ATOM 147 N SER A 13 -8.296 -3.705 -14.833 1.00 14.71 N ATOM 148 CA SER A 13 -8.746 -2.836 -15.908 1.00 13.15 C ATOM 149 C SER A 13 -9.728 -3.624 -16.749 1.00 19.71 C ATOM 150 O SER A 13 -9.460 -4.773 -17.095 1.00 18.73 O ATOM 151 CB SER A 13 -7.550 -2.394 -16.748 1.00 18.69 C ATOM 152 OG SER A 13 -7.935 -1.549 -17.814 1.00 18.14 O ATOM 153 HG SER A 13 -8.567 -2.031 -18.404 1.00 0.00 H ATOM 154 H SER A 13 -8.176 -4.722 -15.013 1.00 0.00 H ATOM 155 N GLU A 14 -10.871 -3.022 -17.058 1.00 13.35 N ATOM 156 CA GLU A 14 -11.868 -3.677 -17.899 1.00 15.46 C ATOM 157 C GLU A 14 -12.311 -2.753 -19.017 1.00 15.18 C ATOM 158 O GLU A 14 -12.627 -1.585 -18.777 1.00 14.79 O ATOM 159 CB GLU A 14 -13.091 -4.116 -17.080 1.00 19.44 C ATOM 160 CG GLU A 14 -12.841 -5.291 -16.139 1.00 27.29 C ATOM 161 CD GLU A 14 -12.988 -6.653 -16.813 1.00 35.64 C ATOM 162 OE1 GLU A 14 -13.306 -6.710 -18.023 1.00 39.00 O ATOM 163 OE2 GLU A 14 -12.793 -7.678 -16.123 1.00 48.92 O ATOM 164 H GLU A 14 -11.059 -2.066 -16.694 1.00 0.00 H ATOM 165 N ASN A 15 -12.327 -3.286 -20.237 1.00 12.93 N ATOM 166 CA ASN A 15 -12.830 -2.588 -21.426 1.00 14.44 C ATOM 167 C ASN A 15 -12.008 -1.369 -21.846 1.00 15.12 C ATOM 168 O ASN A 15 -12.474 -0.556 -22.641 1.00 13.52 O ATOM 169 CB ASN A 15 -14.309 -2.198 -21.256 1.00 17.37 C ATOM 170 CG ASN A 15 -15.099 -2.274 -22.561 1.00 15.48 C ATOM 171 OD1 ASN A 15 -14.889 -3.170 -23.381 1.00 13.22 O ATOM 172 ND2 ASN A 15 -16.017 -1.333 -22.752 1.00 16.01 N ATOM 173 HD22 ASN A 15 -16.162 -0.595 -22.034 1.00 0.00 H ATOM 174 HD21 ASN A 15 -16.591 -1.335 -23.619 1.00 0.00 H ATOM 175 H ASN A 15 -11.962 -4.253 -20.354 1.00 0.00 H ATOM 176 N PHE A 16 -10.790 -1.246 -21.328 1.00 15.98 N ATOM 177 CA PHE A 16 -9.977 -0.062 -21.598 1.00 14.22 C ATOM 178 C PHE A 16 -9.570 0.019 -23.062 1.00 15.53 C ATOM 179 O PHE A 16 -9.453 1.105 -23.615 1.00 13.93 O ATOM 180 CB PHE A 16 -8.739 -0.009 -20.704 1.00 13.66 C ATOM 181 CG PHE A 16 -8.098 1.355 -20.633 1.00 14.70 C ATOM 182 CD1 PHE A 16 -8.845 2.468 -20.272 1.00 15.16 C ATOM 183 CD2 PHE A 16 -6.748 1.520 -20.906 1.00 17.48 C ATOM 184 CE1 PHE A 16 -8.259 3.718 -20.187 1.00 15.91 C ATOM 185 CE2 PHE A 16 -6.156 2.775 -20.822 1.00 12.47 C ATOM 186 CZ PHE A 16 -6.915 3.870 -20.467 1.00 14.52 C ATOM 187 H PHE A 16 -10.411 -2.002 -20.723 1.00 0.00 H ATOM 188 N ASP A 17 -9.346 -1.128 -23.698 1.00 14.49 N ATOM 189 CA ASP A 17 -8.978 -1.089 -25.113 1.00 16.12 C ATOM 190 C ASP A 17 -10.107 -0.505 -25.958 1.00 16.01 C ATOM 191 O ASP A 17 -9.878 0.346 -26.823 1.00 13.94 O ATOM 192 CB ASP A 17 -8.588 -2.474 -25.632 1.00 21.21 C ATOM 193 CG ASP A 17 -8.192 -2.450 -27.097 1.00 23.19 C ATOM 194 OD1 ASP A 17 -8.924 -3.031 -27.925 1.00 33.95 O ATOM 195 OD2 ASP A 17 -7.154 -1.838 -27.427 1.00 26.08 O ATOM 196 H ASP A 17 -9.431 -2.036 -23.198 1.00 0.00 H ATOM 197 N ASP A 18 -11.328 -0.947 -25.684 1.00 15.96 N ATOM 198 CA ASP A 18 -12.490 -0.439 -26.397 1.00 14.77 C ATOM 199 C ASP A 18 -12.746 1.042 -26.090 1.00 15.28 C ATOM 200 O ASP A 18 -13.091 1.811 -26.992 1.00 15.33 O ATOM 201 CB ASP A 18 -13.708 -1.311 -26.105 1.00 15.70 C ATOM 202 CG ASP A 18 -13.666 -2.637 -26.874 1.00 22.57 C ATOM 203 OD1 ASP A 18 -12.936 -2.711 -27.883 1.00 32.39 O ATOM 204 OD2 ASP A 18 -14.358 -3.592 -26.488 1.00 25.68 O ATOM 205 H ASP A 18 -11.456 -1.669 -24.947 1.00 0.00 H ATOM 206 N TYR A 19 -12.558 1.441 -24.831 1.00 13.53 N ATOM 207 CA TYR A 19 -12.590 2.871 -24.483 1.00 8.99 C ATOM 208 C TYR A 19 -11.582 3.665 -25.301 1.00 10.57 C ATOM 209 O TYR A 19 -11.941 4.669 -25.916 1.00 11.48 O ATOM 210 CB TYR A 19 -12.334 3.101 -22.987 1.00 9.99 C ATOM 211 CG TYR A 19 -12.154 4.563 -22.636 1.00 13.01 C ATOM 212 CD1 TYR A 19 -13.247 5.414 -22.538 1.00 12.09 C ATOM 213 CD2 TYR A 19 -10.884 5.088 -22.398 1.00 10.80 C ATOM 214 CE1 TYR A 19 -13.082 6.755 -22.212 1.00 12.83 C ATOM 215 CE2 TYR A 19 -10.705 6.429 -22.089 1.00 10.81 C ATOM 216 CZ TYR A 19 -11.805 7.255 -21.997 1.00 12.08 C ATOM 217 OH TYR A 19 -11.624 8.580 -21.674 1.00 11.10 O ATOM 218 HH TYR A 19 -12.503 9.035 -21.648 1.00 0.00 H ATOM 219 H TYR A 19 -12.387 0.734 -24.087 1.00 0.00 H ATOM 220 N MET A 20 -10.327 3.215 -25.328 1.00 11.05 N ATOM 221 CA MET A 20 -9.310 3.921 -26.103 1.00 12.25 C ATOM 222 C MET A 20 -9.667 3.971 -27.584 1.00 10.47 C ATOM 223 O MET A 20 -9.436 4.986 -28.232 1.00 10.64 O ATOM 224 CB MET A 20 -7.921 3.308 -25.930 1.00 11.69 C ATOM 225 CG MET A 20 -7.346 3.470 -24.527 1.00 15.14 C ATOM 226 SD MET A 20 -5.644 2.890 -24.495 1.00 14.93 S ATOM 227 CE MET A 20 -5.893 1.134 -24.617 1.00 14.92 C ATOM 228 H MET A 20 -10.072 2.359 -24.796 1.00 0.00 H ATOM 229 N LYS A 21 -10.229 2.885 -28.107 1.00 11.75 N ATOM 230 CA LYS A 21 -10.672 2.878 -29.504 1.00 13.09 C ATOM 231 C LYS A 21 -11.652 4.017 -29.744 1.00 15.01 C ATOM 232 O LYS A 21 -11.523 4.774 -30.710 1.00 16.73 O ATOM 233 CB LYS A 21 -11.342 1.552 -29.863 1.00 20.03 C ATOM 234 CG LYS A 21 -10.384 0.404 -30.130 1.00 18.12 C ATOM 235 CD LYS A 21 -11.173 -0.832 -30.525 1.00 22.36 C ATOM 236 CE LYS A 21 -10.284 -2.040 -30.691 1.00 33.99 C ATOM 237 NZ LYS A 21 -11.078 -3.214 -31.154 1.00 40.64 N ATOM 238 HZ1 LYS A 21 -11.815 -3.430 -30.453 1.00 0.00 H ATOM 239 HZ2 LYS A 21 -11.521 -2.992 -32.068 1.00 0.00 H ATOM 240 HZ3 LYS A 21 -10.449 -4.035 -31.262 1.00 0.00 H ATOM 241 H LYS A 21 -10.355 2.035 -27.521 1.00 0.00 H ATOM 242 N GLU A 22 -12.618 4.148 -28.841 1.00 13.21 N ATOM 243 CA GLU A 22 -13.666 5.148 -28.986 1.00 18.54 C ATOM 244 C GLU A 22 -13.080 6.558 -28.908 1.00 17.43 C ATOM 245 O GLU A 22 -13.529 7.466 -29.610 1.00 17.96 O ATOM 246 CB GLU A 22 -14.749 4.925 -27.924 1.00 19.70 C ATOM 247 CG GLU A 22 -16.142 5.408 -28.317 1.00 27.13 C ATOM 248 CD GLU A 22 -16.739 4.651 -29.496 1.00 27.86 C ATOM 249 OE1 GLU A 22 -16.261 3.546 -29.825 1.00 24.13 O ATOM 250 OE2 GLU A 22 -17.695 5.173 -30.104 1.00 41.50 O ATOM 251 H GLU A 22 -12.626 3.521 -28.011 1.00 0.00 H ATOM 252 N VAL A 23 -12.063 6.727 -28.064 1.00 14.98 N ATOM 253 CA VAL A 23 -11.375 8.004 -27.910 1.00 12.94 C ATOM 254 C VAL A 23 -10.589 8.382 -29.166 1.00 19.82 C ATOM 255 O VAL A 23 -10.380 9.567 -29.442 1.00 16.63 O ATOM 256 CB VAL A 23 -10.452 7.997 -26.647 1.00 15.24 C ATOM 257 CG1 VAL A 23 -9.476 9.170 -26.645 1.00 14.18 C ATOM 258 CG2 VAL A 23 -11.294 8.013 -25.392 1.00 14.90 C ATOM 259 H VAL A 23 -11.747 5.917 -27.493 1.00 0.00 H ATOM 260 N GLY A 24 -10.182 7.374 -29.939 1.00 16.26 N ATOM 261 CA GLY A 24 -9.454 7.604 -31.178 1.00 15.31 C ATOM 262 C GLY A 24 -7.973 7.267 -31.119 1.00 19.11 C ATOM 263 O GLY A 24 -7.207 7.639 -32.002 1.00 15.85 O ATOM 264 H GLY A 24 -10.391 6.397 -29.648 1.00 0.00 H ATOM 265 N VAL A 25 -7.568 6.557 -30.073 1.00 16.45 N ATOM 266 CA VAL A 25 -6.172 6.168 -29.894 1.00 10.12 C ATOM 267 C VAL A 25 -5.739 5.161 -30.957 1.00 13.65 C ATOM 268 O VAL A 25 -6.448 4.198 -31.223 1.00 13.02 O ATOM 269 CB VAL A 25 -5.966 5.554 -28.503 1.00 12.91 C ATOM 270 CG1 VAL A 25 -4.495 5.228 -28.275 1.00 15.26 C ATOM 271 CG2 VAL A 25 -6.506 6.505 -27.425 1.00 14.15 C ATOM 272 H VAL A 25 -8.267 6.269 -29.359 1.00 0.00 H ATOM 273 N GLY A 26 -4.574 5.396 -31.552 1.00 15.49 N ATOM 274 CA GLY A 26 -4.066 4.536 -32.605 1.00 19.10 C ATOM 275 C GLY A 26 -3.623 3.173 -32.109 1.00 19.66 C ATOM 276 O GLY A 26 -3.438 2.969 -30.907 1.00 15.96 O ATOM 277 H GLY A 26 -4.011 6.219 -31.255 1.00 0.00 H ATOM 278 N PHE A 27 -3.442 2.241 -33.041 1.00 14.90 N ATOM 279 CA PHE A 27 -3.132 0.852 -32.703 1.00 13.74 C ATOM 280 C PHE A 27 -1.946 0.678 -31.746 1.00 15.56 C ATOM 281 O PHE A 27 -2.071 0.044 -30.691 1.00 15.99 O ATOM 282 CB PHE A 27 -2.878 0.041 -33.981 1.00 15.83 C ATOM 283 CG PHE A 27 -2.514 -1.388 -33.718 1.00 17.04 C ATOM 284 CD1 PHE A 27 -3.499 -2.359 -33.632 1.00 16.24 C ATOM 285 CD2 PHE A 27 -1.187 -1.763 -33.564 1.00 16.49 C ATOM 286 CE1 PHE A 27 -3.166 -3.686 -33.377 1.00 20.83 C ATOM 287 CE2 PHE A 27 -0.852 -3.081 -33.298 1.00 14.75 C ATOM 288 CZ PHE A 27 -1.841 -4.043 -33.218 1.00 15.89 C ATOM 289 H PHE A 27 -3.524 2.509 -34.043 1.00 0.00 H ATOM 290 N ALA A 28 -0.795 1.221 -32.127 1.00 16.61 N ATOM 291 CA ALA A 28 0.435 0.987 -31.380 1.00 14.05 C ATOM 292 C ALA A 28 0.346 1.593 -29.990 1.00 17.77 C ATOM 293 O ALA A 28 0.754 0.976 -29.003 1.00 15.10 O ATOM 294 CB ALA A 28 1.642 1.534 -32.139 1.00 17.73 C ATOM 295 H ALA A 28 -0.771 1.824 -32.974 1.00 0.00 H ATOM 296 N THR A 29 -0.218 2.791 -29.907 1.00 13.83 N ATOM 297 CA THR A 29 -0.392 3.434 -28.606 1.00 12.37 C ATOM 298 C THR A 29 -1.339 2.636 -27.715 1.00 17.53 C ATOM 299 O THR A 29 -1.079 2.484 -26.520 1.00 15.08 O ATOM 300 CB THR A 29 -0.871 4.897 -28.759 1.00 15.21 C ATOM 301 OG1 THR A 29 0.101 5.622 -29.519 1.00 17.51 O ATOM 302 CG2 THR A 29 -1.024 5.562 -27.393 1.00 18.19 C ATOM 303 HG1 THR A 29 -0.196 6.561 -29.623 1.00 0.00 H ATOM 304 H THR A 29 -0.537 3.274 -30.771 1.00 0.00 H ATOM 305 N ARG A 30 -2.427 2.124 -28.286 1.00 13.95 N ATOM 306 CA ARG A 30 -3.354 1.300 -27.511 1.00 13.50 C ATOM 307 C ARG A 30 -2.667 0.064 -26.954 1.00 15.80 C ATOM 308 O ARG A 30 -2.890 -0.315 -25.807 1.00 12.56 O ATOM 309 CB ARG A 30 -4.555 0.837 -28.350 1.00 14.75 C ATOM 310 CG ARG A 30 -5.618 1.894 -28.595 1.00 16.66 C ATOM 311 CD ARG A 30 -6.983 1.247 -28.870 1.00 15.64 C ATOM 312 NE ARG A 30 -6.908 0.073 -29.744 1.00 16.63 N ATOM 313 CZ ARG A 30 -6.815 0.118 -31.071 1.00 20.76 C ATOM 314 NH1 ARG A 30 -6.770 1.286 -31.707 1.00 15.65 N ATOM 315 NH2 ARG A 30 -6.760 -1.010 -31.768 1.00 19.62 N ATOM 316 HE ARG A 30 -6.929 -0.864 -29.294 1.00 0.00 H ATOM 317 HH12 ARG A 30 -6.697 1.311 -32.744 1.00 0.00 H ATOM 318 HH11 ARG A 30 -6.808 2.174 -31.167 1.00 0.00 H ATOM 319 HH22 ARG A 30 -6.687 -0.978 -32.805 1.00 0.00 H ATOM 320 HH21 ARG A 30 -6.790 -1.926 -31.277 1.00 0.00 H ATOM 321 H ARG A 30 -2.619 2.311 -29.291 1.00 0.00 H ATOM 322 N LYS A 31 -1.841 -0.580 -27.770 1.00 14.60 N ATOM 323 CA LYS A 31 -1.209 -1.823 -27.328 1.00 14.69 C ATOM 324 C LYS A 31 -0.237 -1.562 -26.188 1.00 14.97 C ATOM 325 O LYS A 31 -0.247 -2.271 -25.179 1.00 16.68 O ATOM 326 CB LYS A 31 -0.497 -2.527 -28.489 1.00 16.55 C ATOM 327 CG LYS A 31 -1.452 -3.014 -29.561 1.00 19.24 C ATOM 328 CD LYS A 31 -2.469 -3.963 -28.953 1.00 22.00 C ATOM 329 CE LYS A 31 -3.716 -4.059 -29.806 1.00 29.19 C ATOM 330 NZ LYS A 31 -4.780 -4.841 -29.123 1.00 36.96 N ATOM 331 HZ1 LYS A 31 -4.434 -5.803 -28.933 1.00 0.00 H ATOM 332 HZ2 LYS A 31 -5.028 -4.377 -28.226 1.00 0.00 H ATOM 333 HZ3 LYS A 31 -5.620 -4.888 -29.734 1.00 0.00 H ATOM 334 H LYS A 31 -1.644 -0.203 -28.719 1.00 0.00 H ATOM 335 N VAL A 32 0.599 -0.544 -26.349 1.00 13.29 N ATOM 336 CA VAL A 32 1.582 -0.200 -25.325 1.00 11.26 C ATOM 337 C VAL A 32 0.920 0.398 -24.078 1.00 13.95 C ATOM 338 O VAL A 32 1.263 0.033 -22.951 1.00 15.20 O ATOM 339 CB VAL A 32 2.665 0.750 -25.881 1.00 13.78 C ATOM 340 CG1 VAL A 32 3.576 1.245 -24.757 1.00 21.90 C ATOM 341 CG2 VAL A 32 3.469 0.034 -26.954 1.00 17.89 C ATOM 342 H VAL A 32 0.553 0.020 -27.222 1.00 0.00 H ATOM 343 N ALA A 33 -0.041 1.296 -24.274 1.00 11.82 N ATOM 344 CA ALA A 33 -0.777 1.873 -23.138 1.00 13.92 C ATOM 345 C ALA A 33 -1.590 0.836 -22.361 1.00 13.52 C ATOM 346 O ALA A 33 -1.667 0.887 -21.132 1.00 15.80 O ATOM 347 CB ALA A 33 -1.674 3.028 -23.587 1.00 14.46 C ATOM 348 H ALA A 33 -0.275 1.594 -25.242 1.00 0.00 H ATOM 349 N GLY A 34 -2.183 -0.117 -23.074 1.00 13.26 N ATOM 350 CA GLY A 34 -2.964 -1.169 -22.440 1.00 16.07 C ATOM 351 C GLY A 34 -2.169 -2.071 -21.511 1.00 17.29 C ATOM 352 O GLY A 34 -2.718 -2.648 -20.574 1.00 16.04 O ATOM 353 H GLY A 34 -2.086 -0.111 -24.109 1.00 0.00 H ATOM 354 N MET A 35 -0.868 -2.187 -21.763 1.00 13.90 N ATOM 355 CA MET A 35 0.003 -3.008 -20.932 1.00 13.93 C ATOM 356 C MET A 35 0.358 -2.338 -19.609 1.00 13.02 C ATOM 357 O MET A 35 0.712 -3.018 -18.655 1.00 14.21 O ATOM 358 CB MET A 35 1.302 -3.344 -21.672 1.00 15.05 C ATOM 359 CG MET A 35 1.122 -4.263 -22.864 1.00 13.16 C ATOM 360 SD MET A 35 0.564 -5.908 -22.400 1.00 15.98 S ATOM 361 CE MET A 35 1.883 -6.434 -21.322 1.00 17.97 C ATOM 362 H MET A 35 -0.462 -1.678 -22.574 1.00 0.00 H ATOM 363 N ALA A 36 0.266 -1.013 -19.566 1.00 13.60 N ATOM 364 CA ALA A 36 0.750 -0.245 -18.425 1.00 16.26 C ATOM 365 C ALA A 36 -0.010 -0.540 -17.140 1.00 15.13 C ATOM 366 O ALA A 36 -1.232 -0.678 -17.137 1.00 13.14 O ATOM 367 CB ALA A 36 0.701 1.250 -18.727 1.00 15.48 C ATOM 368 H ALA A 36 -0.163 -0.510 -20.369 1.00 0.00 H ATOM 369 N LYS A 37 0.736 -0.622 -16.048 1.00 11.65 N ATOM 370 CA LYS A 37 0.164 -0.772 -14.726 1.00 11.13 C ATOM 371 C LYS A 37 0.645 0.418 -13.909 1.00 14.37 C ATOM 372 O LYS A 37 1.587 0.304 -13.129 1.00 14.02 O ATOM 373 CB LYS A 37 0.633 -2.090 -14.096 1.00 15.21 C ATOM 374 CG LYS A 37 0.193 -3.328 -14.861 1.00 21.90 C ATOM 375 CD LYS A 37 -1.305 -3.539 -14.739 1.00 25.87 C ATOM 376 CE LYS A 37 -1.690 -4.972 -15.098 1.00 30.68 C ATOM 377 NZ LYS A 37 -1.258 -5.324 -16.472 1.00 34.29 N ATOM 378 HZ1 LYS A 37 -1.711 -4.681 -17.152 1.00 0.00 H ATOM 379 HZ2 LYS A 37 -0.224 -5.233 -16.543 1.00 0.00 H ATOM 380 HZ3 LYS A 37 -1.536 -6.304 -16.681 1.00 0.00 H ATOM 381 H LYS A 37 1.771 -0.577 -16.144 1.00 0.00 H ATOM 382 N PRO A 38 0.015 1.589 -14.108 1.00 11.29 N ATOM 383 CA PRO A 38 0.551 2.821 -13.516 1.00 13.38 C ATOM 384 C PRO A 38 0.414 2.907 -12.001 1.00 14.19 C ATOM 385 O PRO A 38 -0.448 2.262 -11.401 1.00 13.04 O ATOM 386 CB PRO A 38 -0.315 3.920 -14.139 1.00 13.51 C ATOM 387 CG PRO A 38 -1.036 3.275 -15.286 1.00 16.66 C ATOM 388 CD PRO A 38 -1.195 1.844 -14.905 1.00 14.82 C ATOM 389 N ASN A 39 1.292 3.702 -11.404 1.00 12.59 N ATOM 390 CA ASN A 39 1.094 4.203 -10.047 1.00 14.64 C ATOM 391 C ASN A 39 0.547 5.614 -10.138 1.00 13.23 C ATOM 392 O ASN A 39 1.026 6.416 -10.931 1.00 19.12 O ATOM 393 CB ASN A 39 2.401 4.228 -9.267 1.00 15.92 C ATOM 394 CG ASN A 39 2.646 2.948 -8.505 1.00 28.43 C ATOM 395 OD1 ASN A 39 2.258 1.875 -8.945 1.00 23.44 O ATOM 396 ND2 ASN A 39 3.264 3.062 -7.333 1.00 39.68 N ATOM 397 HD22 ASN A 39 3.577 3.996 -6.999 1.00 0.00 H ATOM 398 HD21 ASN A 39 3.435 2.217 -6.751 1.00 0.00 H ATOM 399 H ASN A 39 2.151 3.978 -11.921 1.00 0.00 H ATOM 400 N MET A 40 -0.453 5.914 -9.323 1.00 13.32 N ATOM 401 CA MET A 40 -1.034 7.243 -9.314 1.00 15.34 C ATOM 402 C MET A 40 -0.779 7.838 -7.946 1.00 15.20 C ATOM 403 O MET A 40 -0.998 7.188 -6.938 1.00 13.35 O ATOM 404 CB MET A 40 -2.533 7.152 -9.588 1.00 16.04 C ATOM 405 CG MET A 40 -3.239 8.479 -9.668 1.00 17.02 C ATOM 406 SD MET A 40 -4.962 8.277 -10.131 1.00 19.51 S ATOM 407 CE MET A 40 -5.446 6.887 -9.103 1.00 22.60 C ATOM 408 H MET A 40 -0.827 5.187 -8.681 1.00 0.00 H ATOM 409 N ILE A 41 -0.292 9.070 -7.923 1.00 13.94 N ATOM 410 CA ILE A 41 0.016 9.741 -6.675 1.00 13.23 C ATOM 411 C ILE A 41 -0.830 10.999 -6.659 1.00 12.08 C ATOM 412 O ILE A 41 -0.707 11.843 -7.546 1.00 14.28 O ATOM 413 CB ILE A 41 1.522 10.085 -6.580 1.00 17.41 C ATOM 414 CG1 ILE A 41 2.380 8.810 -6.684 1.00 24.59 C ATOM 415 CG2 ILE A 41 1.825 10.817 -5.286 1.00 21.96 C ATOM 416 CD1 ILE A 41 2.814 8.432 -8.114 1.00 26.85 C ATOM 417 H ILE A 41 -0.127 9.568 -8.821 1.00 0.00 H ATOM 418 N ILE A 42 -1.715 11.102 -5.673 1.00 10.26 N ATOM 419 CA ILE A 42 -2.614 12.239 -5.580 1.00 9.43 C ATOM 420 C ILE A 42 -2.270 13.021 -4.331 1.00 9.86 C ATOM 421 O ILE A 42 -2.124 12.446 -3.250 1.00 13.66 O ATOM 422 CB ILE A 42 -4.084 11.786 -5.523 1.00 11.01 C ATOM 423 CG1 ILE A 42 -4.426 10.963 -6.770 1.00 11.17 C ATOM 424 CG2 ILE A 42 -5.033 12.983 -5.374 1.00 9.33 C ATOM 425 CD1 ILE A 42 -5.863 10.514 -6.818 1.00 12.10 C ATOM 426 H ILE A 42 -1.765 10.353 -4.953 1.00 0.00 H ATOM 427 N SER A 43 -2.127 14.331 -4.475 1.00 8.78 N ATOM 428 CA SER A 43 -1.849 15.168 -3.322 1.00 12.38 C ATOM 429 C SER A 43 -2.671 16.447 -3.378 1.00 12.01 C ATOM 430 O SER A 43 -3.128 16.864 -4.446 1.00 10.22 O ATOM 431 CB SER A 43 -0.358 15.487 -3.253 1.00 16.14 C ATOM 432 OG SER A 43 0.089 16.058 -4.469 1.00 16.84 O ATOM 433 HG SER A 43 -0.068 15.420 -5.209 1.00 0.00 H ATOM 434 H SER A 43 -2.214 14.761 -5.418 1.00 0.00 H ATOM 435 N VAL A 44 -2.871 17.057 -2.215 1.00 12.68 N ATOM 436 CA VAL A 44 -3.597 18.313 -2.129 1.00 12.40 C ATOM 437 C VAL A 44 -2.778 19.311 -1.314 1.00 16.36 C ATOM 438 O VAL A 44 -2.220 18.971 -0.271 1.00 14.96 O ATOM 439 CB VAL A 44 -4.999 18.140 -1.507 1.00 14.31 C ATOM 440 CG1 VAL A 44 -5.769 19.446 -1.593 1.00 15.17 C ATOM 441 CG2 VAL A 44 -5.770 17.040 -2.231 1.00 14.71 C ATOM 442 H VAL A 44 -2.499 16.625 -1.345 1.00 0.00 H ATOM 443 N ASN A 45 -2.691 20.536 -1.814 1.00 13.08 N ATOM 444 CA ASN A 45 -1.950 21.600 -1.151 1.00 14.76 C ATOM 445 C ASN A 45 -2.756 22.886 -1.338 1.00 16.83 C ATOM 446 O ASN A 45 -2.758 23.487 -2.418 1.00 14.05 O ATOM 447 CB ASN A 45 -0.543 21.706 -1.756 1.00 14.25 C ATOM 448 CG ASN A 45 0.344 22.728 -1.051 1.00 18.88 C ATOM 449 OD1 ASN A 45 -0.127 23.747 -0.543 1.00 16.97 O ATOM 450 ND2 ASN A 45 1.645 22.461 -1.040 1.00 16.60 N ATOM 451 HD22 ASN A 45 2.001 21.589 -1.481 1.00 0.00 H ATOM 452 HD21 ASN A 45 2.308 23.124 -0.591 1.00 0.00 H ATOM 453 H ASN A 45 -3.170 20.745 -2.713 1.00 0.00 H ATOM 454 N GLY A 46 -3.474 23.289 -0.295 1.00 15.99 N ATOM 455 CA GLY A 46 -4.430 24.376 -0.437 1.00 15.59 C ATOM 456 C GLY A 46 -5.552 24.010 -1.399 1.00 18.47 C ATOM 457 O GLY A 46 -6.186 22.961 -1.253 1.00 23.11 O ATOM 458 H GLY A 46 -3.352 22.825 0.628 1.00 0.00 H ATOM 459 N ASP A 47 -5.787 24.858 -2.400 1.00 15.04 N ATOM 460 CA ASP A 47 -6.867 24.638 -3.358 1.00 15.74 C ATOM 461 C ASP A 47 -6.370 23.844 -4.555 1.00 12.70 C ATOM 462 O ASP A 47 -7.139 23.546 -5.467 1.00 18.01 O ATOM 463 CB ASP A 47 -7.416 25.970 -3.874 1.00 22.40 C ATOM 464 CG ASP A 47 -8.209 26.734 -2.827 1.00 27.92 C ATOM 465 OD1 ASP A 47 -8.841 26.096 -1.957 1.00 28.38 O ATOM 466 OD2 ASP A 47 -8.208 27.979 -2.892 1.00 34.45 O ATOM 467 H ASP A 47 -5.185 25.700 -2.502 1.00 0.00 H ATOM 468 N VAL A 48 -5.080 23.523 -4.566 1.00 12.13 N ATOM 469 CA VAL A 48 -4.486 22.870 -5.730 1.00 9.07 C ATOM 470 C VAL A 48 -4.404 21.370 -5.511 1.00 9.67 C ATOM 471 O VAL A 48 -3.833 20.910 -4.522 1.00 11.08 O ATOM 472 CB VAL A 48 -3.071 23.412 -6.040 1.00 12.21 C ATOM 473 CG1 VAL A 48 -2.486 22.718 -7.267 1.00 12.36 C ATOM 474 CG2 VAL A 48 -3.121 24.921 -6.250 1.00 12.98 C ATOM 475 H VAL A 48 -4.488 23.739 -3.738 1.00 0.00 H ATOM 476 N ILE A 49 -4.987 20.620 -6.439 1.00 8.25 N ATOM 477 CA ILE A 49 -4.922 19.167 -6.403 1.00 8.50 C ATOM 478 C ILE A 49 -3.943 18.729 -7.483 1.00 12.66 C ATOM 479 O ILE A 49 -3.955 19.272 -8.585 1.00 9.46 O ATOM 480 CB ILE A 49 -6.309 18.535 -6.679 1.00 8.74 C ATOM 481 CG1 ILE A 49 -7.355 19.087 -5.708 1.00 14.12 C ATOM 482 CG2 ILE A 49 -6.241 17.009 -6.611 1.00 11.49 C ATOM 483 CD1 ILE A 49 -8.773 18.658 -6.067 1.00 20.97 C ATOM 484 H ILE A 49 -5.504 21.084 -7.213 1.00 0.00 H ATOM 485 N THR A 50 -3.084 17.768 -7.158 1.00 8.91 N ATOM 486 CA THR A 50 -2.113 17.262 -8.127 1.00 9.33 C ATOM 487 C THR A 50 -2.308 15.765 -8.297 1.00 8.79 C ATOM 488 O THR A 50 -2.376 15.014 -7.317 1.00 8.01 O ATOM 489 CB THR A 50 -0.650 17.546 -7.696 1.00 12.32 C ATOM 490 OG1 THR A 50 -0.424 18.959 -7.640 1.00 14.14 O ATOM 491 CG2 THR A 50 0.332 16.939 -8.693 1.00 13.73 C ATOM 492 HG1 THR A 50 -0.584 19.353 -8.534 1.00 0.00 H ATOM 493 H THR A 50 -3.103 17.369 -6.198 1.00 0.00 H ATOM 494 N ILE A 51 -2.444 15.332 -9.543 1.00 8.90 N ATOM 495 CA ILE A 51 -2.522 13.912 -9.819 1.00 8.74 C ATOM 496 C ILE A 51 -1.360 13.558 -10.728 1.00 10.71 C ATOM 497 O ILE A 51 -1.271 14.049 -11.846 1.00 11.73 O ATOM 498 CB ILE A 51 -3.832 13.521 -10.532 1.00 9.98 C ATOM 499 CG1 ILE A 51 -5.047 13.932 -9.699 1.00 11.05 C ATOM 500 CG2 ILE A 51 -3.856 12.000 -10.807 1.00 11.33 C ATOM 501 CD1 ILE A 51 -6.378 13.603 -10.353 1.00 13.38 C ATOM 502 H ILE A 51 -2.495 16.015 -10.326 1.00 0.00 H ATOM 503 N LYS A 52 -0.480 12.696 -10.238 1.00 10.29 N ATOM 504 CA LYS A 52 0.664 12.242 -11.007 1.00 13.26 C ATOM 505 C LYS A 52 0.470 10.778 -11.368 1.00 16.30 C ATOM 506 O LYS A 52 -0.017 9.989 -10.558 1.00 15.25 O ATOM 507 CB LYS A 52 1.940 12.428 -10.181 1.00 14.62 C ATOM 508 CG LYS A 52 3.184 11.842 -10.800 1.00 25.74 C ATOM 509 CD LYS A 52 4.370 11.946 -9.855 1.00 34.84 C ATOM 510 CE LYS A 52 4.731 13.392 -9.583 1.00 29.81 C ATOM 511 NZ LYS A 52 5.936 13.504 -8.704 1.00 43.44 N ATOM 512 HZ1 LYS A 52 5.745 13.037 -7.795 1.00 0.00 H ATOM 513 HZ2 LYS A 52 6.746 13.045 -9.168 1.00 0.00 H ATOM 514 HZ3 LYS A 52 6.152 14.508 -8.540 1.00 0.00 H ATOM 515 H LYS A 52 -0.614 12.334 -9.272 1.00 0.00 H ATOM 516 N SER A 53 0.822 10.416 -12.595 1.00 13.29 N ATOM 517 CA SER A 53 0.788 9.019 -12.987 1.00 13.47 C ATOM 518 C SER A 53 2.173 8.610 -13.458 1.00 15.90 C ATOM 519 O SER A 53 2.770 9.286 -14.291 1.00 19.10 O ATOM 520 CB SER A 53 -0.239 8.791 -14.091 1.00 17.38 C ATOM 521 OG SER A 53 -0.253 7.425 -14.493 1.00 21.24 O ATOM 522 HG SER A 53 -0.486 6.856 -13.717 1.00 0.00 H ATOM 523 H SER A 53 1.124 11.138 -13.280 1.00 0.00 H ATOM 524 N GLU A 54 2.685 7.516 -12.904 1.00 15.26 N ATOM 525 CA GLU A 54 3.979 6.987 -13.325 1.00 14.97 C ATOM 526 C GLU A 54 3.805 5.594 -13.872 1.00 13.25 C ATOM 527 O GLU A 54 3.269 4.725 -13.193 1.00 10.81 O ATOM 528 CB GLU A 54 4.940 6.918 -12.147 1.00 23.62 C ATOM 529 CG GLU A 54 5.465 8.254 -11.705 1.00 27.15 C ATOM 530 CD GLU A 54 6.406 8.111 -10.535 1.00 38.42 C ATOM 531 OE1 GLU A 54 6.219 7.153 -9.746 1.00 37.76 O ATOM 532 OE2 GLU A 54 7.331 8.942 -10.417 1.00 42.91 O ATOM 533 H GLU A 54 2.153 7.027 -12.156 1.00 0.00 H ATOM 534 N SER A 55 4.273 5.368 -15.094 1.00 13.82 N ATOM 535 CA SER A 55 4.253 4.011 -15.617 1.00 17.17 C ATOM 536 C SER A 55 5.324 3.839 -16.669 1.00 18.09 C ATOM 537 O SER A 55 6.028 4.791 -17.018 1.00 19.25 O ATOM 538 CB SER A 55 2.877 3.648 -16.188 1.00 24.55 C ATOM 539 OG SER A 55 2.677 4.196 -17.478 1.00 16.91 O ATOM 540 HG SER A 55 1.780 3.939 -17.809 1.00 0.00 H ATOM 541 H SER A 55 4.648 6.150 -15.668 1.00 0.00 H ATOM 542 N THR A 56 5.446 2.617 -17.170 1.00 18.41 N ATOM 543 CA THR A 56 6.402 2.335 -18.227 1.00 16.92 C ATOM 544 C THR A 56 5.979 2.983 -19.543 1.00 23.22 C ATOM 545 O THR A 56 6.809 3.191 -20.430 1.00 26.05 O ATOM 546 CB THR A 56 6.558 0.820 -18.429 1.00 18.27 C ATOM 547 OG1 THR A 56 5.275 0.253 -18.719 1.00 24.58 O ATOM 548 CG2 THR A 56 7.107 0.175 -17.165 1.00 19.07 C ATOM 549 HG1 THR A 56 5.369 -0.724 -18.850 1.00 0.00 H ATOM 550 H THR A 56 4.849 1.850 -16.801 1.00 0.00 H ATOM 551 N PHE A 57 4.692 3.304 -19.662 1.00 21.19 N ATOM 552 CA PHE A 57 4.153 3.933 -20.869 1.00 19.47 C ATOM 553 C PHE A 57 4.440 5.432 -20.900 1.00 21.36 C ATOM 554 O PHE A 57 5.059 5.940 -21.833 1.00 21.79 O ATOM 555 CB PHE A 57 2.648 3.676 -20.976 1.00 16.40 C ATOM 556 CG PHE A 57 1.967 4.467 -22.061 1.00 20.37 C ATOM 557 CD1 PHE A 57 2.403 4.386 -23.374 1.00 19.62 C ATOM 558 CD2 PHE A 57 0.870 5.265 -21.772 1.00 19.35 C ATOM 559 CE1 PHE A 57 1.769 5.110 -24.386 1.00 22.81 C ATOM 560 CE2 PHE A 57 0.229 5.990 -22.776 1.00 20.99 C ATOM 561 CZ PHE A 57 0.682 5.910 -24.085 1.00 22.90 C ATOM 562 H PHE A 57 4.048 3.101 -18.871 1.00 0.00 H ATOM 563 N LYS A 58 3.996 6.137 -19.868 1.00 21.67 N ATOM 564 CA LYS A 58 4.197 7.573 -19.811 1.00 22.76 C ATOM 565 C LYS A 58 4.201 8.034 -18.362 1.00 21.76 C ATOM 566 O LYS A 58 3.611 7.389 -17.484 1.00 23.95 O ATOM 567 CB LYS A 58 3.100 8.281 -20.612 1.00 19.42 C ATOM 568 CG LYS A 58 3.310 9.766 -20.831 1.00 32.45 C ATOM 569 CD LYS A 58 4.500 10.036 -21.740 1.00 33.58 C ATOM 570 CE LYS A 58 4.802 11.522 -21.837 1.00 36.15 C ATOM 571 NZ LYS A 58 6.088 11.770 -22.554 1.00 45.71 N ATOM 572 HZ1 LYS A 58 6.865 11.307 -22.040 1.00 0.00 H ATOM 573 HZ2 LYS A 58 6.027 11.381 -23.517 1.00 0.00 H ATOM 574 HZ3 LYS A 58 6.264 12.794 -22.603 1.00 0.00 H ATOM 575 H LYS A 58 3.499 5.656 -19.092 1.00 0.00 H ATOM 576 N ASN A 59 4.906 9.122 -18.100 1.00 13.72 N ATOM 577 CA ASN A 59 4.789 9.799 -16.823 1.00 16.35 C ATOM 578 C ASN A 59 4.015 11.077 -17.079 1.00 19.92 C ATOM 579 O ASN A 59 4.336 11.822 -18.005 1.00 21.40 O ATOM 580 CB ASN A 59 6.168 10.105 -16.240 1.00 24.58 C ATOM 581 CG ASN A 59 6.925 8.848 -15.855 1.00 26.58 C ATOM 582 OD1 ASN A 59 6.336 7.873 -15.391 1.00 20.52 O ATOM 583 ND2 ASN A 59 8.237 8.861 -16.061 1.00 30.48 N ATOM 584 HD22 ASN A 59 8.693 9.708 -16.456 1.00 0.00 H ATOM 585 HD21 ASN A 59 8.808 8.024 -15.828 1.00 0.00 H ATOM 586 H ASN A 59 5.554 9.498 -18.821 1.00 0.00 H ATOM 587 N THR A 60 2.970 11.306 -16.296 1.00 12.74 N ATOM 588 CA THR A 60 2.168 12.512 -16.447 1.00 14.10 C ATOM 589 C THR A 60 1.941 13.190 -15.100 1.00 10.49 C ATOM 590 O THR A 60 2.033 12.568 -14.045 1.00 13.12 O ATOM 591 CB THR A 60 0.786 12.218 -17.082 1.00 13.49 C ATOM 592 OG1 THR A 60 0.013 11.389 -16.201 1.00 17.03 O ATOM 593 CG2 THR A 60 0.940 11.526 -18.426 1.00 17.89 C ATOM 594 HG1 THR A 60 -0.869 11.205 -16.612 1.00 0.00 H ATOM 595 H THR A 60 2.719 10.613 -15.562 1.00 0.00 H ATOM 596 N GLU A 61 1.643 14.483 -15.152 1.00 11.53 N ATOM 597 CA GLU A 61 1.299 15.215 -13.950 1.00 12.44 C ATOM 598 C GLU A 61 0.346 16.328 -14.330 1.00 14.77 C ATOM 599 O GLU A 61 0.590 17.065 -15.294 1.00 13.16 O ATOM 600 CB GLU A 61 2.549 15.782 -13.278 1.00 16.67 C ATOM 601 CG GLU A 61 2.272 16.483 -11.948 1.00 20.88 C ATOM 602 CD GLU A 61 3.519 17.110 -11.342 1.00 31.60 C ATOM 603 OE1 GLU A 61 3.448 18.274 -10.887 1.00 32.90 O ATOM 604 OE2 GLU A 61 4.570 16.438 -11.320 1.00 34.30 O ATOM 605 H GLU A 61 1.657 14.977 -16.067 1.00 0.00 H ATOM 606 N ILE A 62 -0.762 16.410 -13.601 1.00 11.99 N ATOM 607 CA ILE A 62 -1.679 17.535 -13.729 1.00 9.05 C ATOM 608 C ILE A 62 -1.901 18.168 -12.364 1.00 10.06 C ATOM 609 O ILE A 62 -2.031 17.476 -11.352 1.00 11.10 O ATOM 610 CB ILE A 62 -3.052 17.145 -14.339 1.00 11.95 C ATOM 611 CG1 ILE A 62 -3.684 15.977 -13.576 1.00 12.51 C ATOM 612 CG2 ILE A 62 -2.906 16.823 -15.832 1.00 16.09 C ATOM 613 CD1 ILE A 62 -5.097 15.655 -14.033 1.00 14.63 C ATOM 614 H ILE A 62 -0.980 15.653 -12.922 1.00 0.00 H ATOM 615 N SER A 63 -1.938 19.492 -12.352 1.00 9.41 N ATOM 616 CA SER A 63 -2.302 20.250 -11.165 1.00 9.41 C ATOM 617 C SER A 63 -3.446 21.186 -11.535 1.00 10.76 C ATOM 618 O SER A 63 -3.478 21.746 -12.628 1.00 11.06 O ATOM 619 CB SER A 63 -1.112 21.043 -10.630 1.00 13.03 C ATOM 620 OG SER A 63 -0.126 20.163 -10.132 1.00 12.99 O ATOM 621 HG SER A 63 -0.510 19.619 -9.399 1.00 0.00 H ATOM 622 H SER A 63 -1.698 20.008 -13.222 1.00 0.00 H ATOM 623 N PHE A 64 -4.401 21.342 -10.632 1.00 8.54 N ATOM 624 CA PHE A 64 -5.616 22.048 -10.994 1.00 8.45 C ATOM 625 C PHE A 64 -6.386 22.486 -9.772 1.00 8.94 C ATOM 626 O PHE A 64 -6.158 21.985 -8.666 1.00 9.05 O ATOM 627 CB PHE A 64 -6.512 21.147 -11.860 1.00 7.26 C ATOM 628 CG PHE A 64 -6.893 19.845 -11.193 1.00 9.73 C ATOM 629 CD1 PHE A 64 -6.078 18.720 -11.313 1.00 10.10 C ATOM 630 CD2 PHE A 64 -8.066 19.743 -10.459 1.00 10.37 C ATOM 631 CE1 PHE A 64 -6.415 17.521 -10.696 1.00 8.79 C ATOM 632 CE2 PHE A 64 -8.419 18.543 -9.834 1.00 10.47 C ATOM 633 CZ PHE A 64 -7.591 17.431 -9.952 1.00 10.51 C ATOM 634 H PHE A 64 -4.282 20.962 -9.671 1.00 0.00 H ATOM 635 N ILE A 65 -7.284 23.439 -9.996 1.00 10.08 N ATOM 636 CA ILE A 65 -8.205 23.920 -8.978 1.00 13.60 C ATOM 637 C ILE A 65 -9.603 23.499 -9.431 1.00 9.67 C ATOM 638 O ILE A 65 -9.917 23.595 -10.608 1.00 12.02 O ATOM 639 CB ILE A 65 -8.110 25.452 -8.848 1.00 15.65 C ATOM 640 CG1 ILE A 65 -6.734 25.847 -8.286 1.00 13.68 C ATOM 641 CG2 ILE A 65 -9.230 25.989 -7.961 1.00 12.76 C ATOM 642 CD1 ILE A 65 -6.435 27.348 -8.388 1.00 14.41 C ATOM 643 H ILE A 65 -7.331 23.862 -10.945 1.00 0.00 H ATOM 644 N LEU A 66 -10.428 23.002 -8.514 1.00 10.98 N ATOM 645 CA LEU A 66 -11.751 22.505 -8.904 1.00 8.25 C ATOM 646 C LEU A 66 -12.572 23.585 -9.602 1.00 10.69 C ATOM 647 O LEU A 66 -12.602 24.738 -9.170 1.00 11.57 O ATOM 648 CB LEU A 66 -12.520 21.939 -7.702 1.00 7.54 C ATOM 649 CG LEU A 66 -11.890 20.737 -7.001 1.00 9.81 C ATOM 650 CD1 LEU A 66 -12.575 20.505 -5.661 1.00 13.76 C ATOM 651 CD2 LEU A 66 -12.003 19.497 -7.878 1.00 11.52 C ATOM 652 H LEU A 66 -10.134 22.966 -7.517 1.00 0.00 H ATOM 653 N GLY A 67 -13.183 23.205 -10.718 1.00 9.95 N ATOM 654 CA GLY A 67 -14.060 24.068 -11.485 1.00 10.31 C ATOM 655 C GLY A 67 -13.350 25.023 -12.427 1.00 11.51 C ATOM 656 O GLY A 67 -14.006 25.803 -13.122 1.00 14.60 O ATOM 657 H GLY A 67 -13.024 22.236 -11.060 1.00 0.00 H ATOM 658 N GLN A 68 -12.020 24.965 -12.460 1.00 10.33 N ATOM 659 CA GLN A 68 -11.230 25.876 -13.292 1.00 10.86 C ATOM 660 C GLN A 68 -10.527 25.152 -14.435 1.00 12.63 C ATOM 661 O GLN A 68 -9.636 24.336 -14.211 1.00 10.32 O ATOM 662 CB GLN A 68 -10.211 26.633 -12.440 1.00 10.37 C ATOM 663 CG GLN A 68 -10.844 27.293 -11.224 1.00 12.90 C ATOM 664 CD GLN A 68 -10.004 28.405 -10.626 1.00 16.22 C ATOM 665 OE1 GLN A 68 -8.834 28.582 -10.963 1.00 21.22 O ATOM 666 NE2 GLN A 68 -10.613 29.172 -9.733 1.00 20.31 N ATOM 667 HE22 GLN A 68 -11.604 28.986 -9.477 1.00 0.00 H ATOM 668 HE21 GLN A 68 -10.100 29.960 -9.288 1.00 0.00 H ATOM 669 H GLN A 68 -11.529 24.255 -11.880 1.00 0.00 H ATOM 670 N GLU A 69 -10.936 25.468 -15.661 1.00 8.87 N ATOM 671 CA GLU A 69 -10.426 24.801 -16.857 1.00 10.04 C ATOM 672 C GLU A 69 -8.905 24.938 -17.009 1.00 13.25 C ATOM 673 O GLU A 69 -8.325 25.981 -16.679 1.00 11.61 O ATOM 674 CB GLU A 69 -11.146 25.343 -18.089 1.00 12.38 C ATOM 675 CG GLU A 69 -10.851 24.595 -19.380 1.00 17.89 C ATOM 676 CD GLU A 69 -11.627 25.151 -20.552 1.00 29.72 C ATOM 677 OE1 GLU A 69 -11.451 26.348 -20.863 1.00 35.64 O ATOM 678 OE2 GLU A 69 -12.420 24.394 -21.151 1.00 30.64 O ATOM 679 H GLU A 69 -11.647 26.219 -15.773 1.00 0.00 H ATOM 680 N PHE A 70 -8.263 23.876 -17.490 1.00 11.78 N ATOM 681 CA PHE A 70 -6.824 23.893 -17.731 1.00 9.49 C ATOM 682 C PHE A 70 -6.441 23.102 -18.980 1.00 14.85 C ATOM 683 O PHE A 70 -7.232 22.299 -19.487 1.00 11.62 O ATOM 684 CB PHE A 70 -6.048 23.373 -16.512 1.00 9.79 C ATOM 685 CG PHE A 70 -6.371 21.944 -16.133 1.00 11.90 C ATOM 686 CD1 PHE A 70 -7.473 21.650 -15.348 1.00 10.09 C ATOM 687 CD2 PHE A 70 -5.564 20.897 -16.556 1.00 13.97 C ATOM 688 CE1 PHE A 70 -7.778 20.332 -15.002 1.00 8.95 C ATOM 689 CE2 PHE A 70 -5.857 19.581 -16.207 1.00 15.02 C ATOM 690 CZ PHE A 70 -6.963 19.302 -15.420 1.00 10.65 C ATOM 691 H PHE A 70 -8.801 23.011 -17.700 1.00 0.00 H ATOM 692 N ASP A 71 -5.217 23.334 -19.451 1.00 14.50 N ATOM 693 CA ASP A 71 -4.671 22.621 -20.602 1.00 16.42 C ATOM 694 C ASP A 71 -4.025 21.338 -20.128 1.00 12.97 C ATOM 695 O ASP A 71 -3.262 21.345 -19.167 1.00 16.71 O ATOM 696 CB ASP A 71 -3.598 23.458 -21.316 1.00 17.11 C ATOM 697 CG ASP A 71 -4.148 24.704 -21.957 1.00 23.81 C ATOM 698 OD1 ASP A 71 -5.127 24.589 -22.719 1.00 20.52 O ATOM 699 OD2 ASP A 71 -3.591 25.803 -21.699 1.00 21.24 O ATOM 700 H ASP A 71 -4.628 24.050 -18.981 1.00 0.00 H ATOM 701 N GLU A 72 -4.315 20.234 -20.809 1.00 13.65 N ATOM 702 CA GLU A 72 -3.745 18.949 -20.432 1.00 14.51 C ATOM 703 C GLU A 72 -3.233 18.264 -21.686 1.00 17.89 C ATOM 704 O GLU A 72 -3.928 18.227 -22.682 1.00 15.24 O ATOM 705 CB GLU A 72 -4.795 18.050 -19.758 1.00 13.89 C ATOM 706 CG GLU A 72 -4.254 16.670 -19.341 1.00 15.71 C ATOM 707 CD GLU A 72 -5.306 15.753 -18.725 1.00 14.96 C ATOM 708 OE1 GLU A 72 -6.508 16.103 -18.760 1.00 16.03 O ATOM 709 OE2 GLU A 72 -4.925 14.677 -18.202 1.00 18.36 O ATOM 710 H GLU A 72 -4.959 20.289 -21.624 1.00 0.00 H ATOM 711 N VAL A 73 -2.012 17.741 -21.634 1.00 17.54 N ATOM 712 CA VAL A 73 -1.538 16.861 -22.689 1.00 13.72 C ATOM 713 C VAL A 73 -1.633 15.465 -22.112 1.00 14.22 C ATOM 714 O VAL A 73 -0.918 15.118 -21.173 1.00 15.12 O ATOM 715 CB VAL A 73 -0.092 17.162 -23.095 1.00 23.78 C ATOM 716 CG1 VAL A 73 0.326 16.250 -24.253 1.00 21.29 C ATOM 717 CG2 VAL A 73 0.047 18.623 -23.486 1.00 26.48 C ATOM 718 H VAL A 73 -1.390 17.964 -20.831 1.00 0.00 H ATOM 719 N THR A 74 -2.556 14.683 -22.648 1.00 14.33 N ATOM 720 CA THR A 74 -2.846 13.365 -22.090 1.00 13.53 C ATOM 721 C THR A 74 -1.731 12.358 -22.374 1.00 15.93 C ATOM 722 O THR A 74 -0.863 12.596 -23.215 1.00 17.53 O ATOM 723 CB THR A 74 -4.165 12.825 -22.648 1.00 15.14 C ATOM 724 OG1 THR A 74 -4.024 12.599 -24.052 1.00 14.80 O ATOM 725 CG2 THR A 74 -5.287 13.824 -22.417 1.00 13.56 C ATOM 726 HG1 THR A 74 -4.876 12.250 -24.416 1.00 0.00 H ATOM 727 H THR A 74 -3.084 15.013 -23.481 1.00 0.00 H ATOM 728 N ALA A 75 -1.767 11.235 -21.664 1.00 14.46 N ATOM 729 CA ALA A 75 -0.769 10.172 -21.827 1.00 16.77 C ATOM 730 C ALA A 75 -0.661 9.719 -23.274 1.00 19.11 C ATOM 731 O ALA A 75 0.415 9.319 -23.728 1.00 19.55 O ATOM 732 CB ALA A 75 -1.113 8.990 -20.951 1.00 18.06 C ATOM 733 H ALA A 75 -2.529 11.105 -20.969 1.00 0.00 H ATOM 734 N ASP A 76 -1.782 9.782 -23.987 1.00 16.41 N ATOM 735 CA ASP A 76 -1.843 9.333 -25.378 1.00 13.75 C ATOM 736 C ASP A 76 -1.638 10.507 -26.339 1.00 17.75 C ATOM 737 O ASP A 76 -1.948 10.418 -27.531 1.00 22.71 O ATOM 738 CB ASP A 76 -3.162 8.608 -25.661 1.00 13.90 C ATOM 739 CG ASP A 76 -4.375 9.502 -25.493 1.00 15.32 C ATOM 740 OD1 ASP A 76 -4.529 10.087 -24.402 1.00 17.87 O ATOM 741 OD2 ASP A 76 -5.167 9.637 -26.454 1.00 18.51 O ATOM 742 H ASP A 76 -2.642 10.162 -23.542 1.00 0.00 H ATOM 743 N ASP A 77 -1.118 11.603 -25.788 1.00 17.81 N ATOM 744 CA ASP A 77 -0.735 12.795 -26.547 1.00 19.89 C ATOM 745 C ASP A 77 -1.893 13.555 -27.202 1.00 24.23 C ATOM 746 O ASP A 77 -1.718 14.172 -28.248 1.00 23.36 O ATOM 747 CB ASP A 77 0.341 12.458 -27.594 1.00 22.56 C ATOM 748 CG ASP A 77 1.290 13.612 -27.847 1.00 41.63 C ATOM 749 OD1 ASP A 77 1.462 13.992 -29.026 1.00 47.52 O ATOM 750 OD2 ASP A 77 1.871 14.134 -26.868 1.00 42.68 O ATOM 751 H ASP A 77 -0.976 11.612 -24.758 1.00 0.00 H ATOM 752 N ARG A 78 -3.076 13.513 -26.604 1.00 16.30 N ATOM 753 CA ARG A 78 -4.122 14.446 -27.011 1.00 13.67 C ATOM 754 C ARG A 78 -3.898 15.760 -26.283 1.00 16.56 C ATOM 755 O ARG A 78 -3.468 15.770 -25.129 1.00 17.25 O ATOM 756 CB ARG A 78 -5.514 13.918 -26.674 1.00 15.42 C ATOM 757 CG ARG A 78 -6.064 12.893 -27.651 1.00 15.50 C ATOM 758 CD ARG A 78 -7.360 12.305 -27.119 1.00 18.27 C ATOM 759 NE ARG A 78 -7.093 11.534 -25.913 1.00 16.58 N ATOM 760 CZ ARG A 78 -7.760 11.646 -24.766 1.00 17.32 C ATOM 761 NH1 ARG A 78 -8.779 12.485 -24.646 1.00 11.84 N ATOM 762 NH2 ARG A 78 -7.404 10.897 -23.734 1.00 18.03 N ATOM 763 HE ARG A 78 -6.319 10.840 -25.950 1.00 0.00 H ATOM 764 HH12 ARG A 78 -9.288 12.559 -23.742 1.00 0.00 H ATOM 765 HH11 ARG A 78 -9.069 13.069 -25.456 1.00 0.00 H ATOM 766 HH22 ARG A 78 -7.917 10.975 -22.833 1.00 0.00 H ATOM 767 HH21 ARG A 78 -6.611 10.230 -23.824 1.00 0.00 H ATOM 768 H ARG A 78 -3.257 12.820 -25.850 1.00 0.00 H ATOM 769 N LYS A 79 -4.177 16.860 -26.969 1.00 14.99 N ATOM 770 CA LYS A 79 -4.116 18.185 -26.367 1.00 11.57 C ATOM 771 C LYS A 79 -5.533 18.623 -26.067 1.00 12.00 C ATOM 772 O LYS A 79 -6.284 18.986 -26.971 1.00 15.38 O ATOM 773 CB LYS A 79 -3.431 19.174 -27.312 1.00 16.49 C ATOM 774 CG LYS A 79 -1.906 19.090 -27.301 1.00 24.35 C ATOM 775 CD LYS A 79 -1.379 17.846 -28.005 1.00 35.66 C ATOM 776 CE LYS A 79 0.145 17.816 -28.000 1.00 41.72 C ATOM 777 NZ LYS A 79 0.678 16.621 -28.710 1.00 47.72 N ATOM 778 HZ1 LYS A 79 0.333 15.759 -28.242 1.00 0.00 H ATOM 779 HZ2 LYS A 79 0.355 16.634 -29.698 1.00 0.00 H ATOM 780 HZ3 LYS A 79 1.718 16.639 -28.684 1.00 0.00 H ATOM 781 H LYS A 79 -4.448 16.774 -27.969 1.00 0.00 H ATOM 782 N VAL A 80 -5.905 18.564 -24.789 1.00 11.62 N ATOM 783 CA VAL A 80 -7.298 18.714 -24.400 1.00 11.64 C ATOM 784 C VAL A 80 -7.506 19.876 -23.426 1.00 10.82 C ATOM 785 O VAL A 80 -6.566 20.349 -22.778 1.00 12.23 O ATOM 786 CB VAL A 80 -7.843 17.419 -23.729 1.00 12.17 C ATOM 787 CG1 VAL A 80 -7.516 16.188 -24.572 1.00 11.07 C ATOM 788 CG2 VAL A 80 -7.269 17.254 -22.328 1.00 13.19 C ATOM 789 H VAL A 80 -5.185 18.408 -24.055 1.00 0.00 H ATOM 790 N LYS A 81 -8.746 20.337 -23.350 1.00 10.98 N ATOM 791 CA LYS A 81 -9.135 21.320 -22.352 1.00 11.32 C ATOM 792 C LYS A 81 -9.878 20.551 -21.281 1.00 12.50 C ATOM 793 O LYS A 81 -10.877 19.894 -21.575 1.00 10.87 O ATOM 794 CB LYS A 81 -10.054 22.379 -22.962 1.00 13.30 C ATOM 795 CG LYS A 81 -9.405 23.225 -24.054 1.00 24.91 C ATOM 796 CD LYS A 81 -8.295 24.102 -23.503 1.00 26.10 C ATOM 797 CE LYS A 81 -7.811 25.093 -24.565 1.00 26.52 C ATOM 798 NZ LYS A 81 -6.684 25.924 -24.066 1.00 28.87 N ATOM 799 HZ1 LYS A 81 -6.994 26.462 -23.232 1.00 0.00 H ATOM 800 HZ2 LYS A 81 -5.888 25.307 -23.806 1.00 0.00 H ATOM 801 HZ3 LYS A 81 -6.383 26.583 -24.813 1.00 0.00 H ATOM 802 H LYS A 81 -9.459 19.987 -24.021 1.00 0.00 H ATOM 803 N SER A 82 -9.389 20.621 -20.043 1.00 11.03 N ATOM 804 CA SER A 82 -9.911 19.768 -18.977 1.00 9.66 C ATOM 805 C SER A 82 -10.526 20.608 -17.873 1.00 9.30 C ATOM 806 O SER A 82 -10.006 21.661 -17.534 1.00 10.62 O ATOM 807 CB SER A 82 -8.789 18.914 -18.382 1.00 11.13 C ATOM 808 OG SER A 82 -8.414 17.865 -19.270 1.00 13.54 O ATOM 809 HG SER A 82 -7.688 17.331 -18.860 1.00 0.00 H ATOM 810 H SER A 82 -8.624 21.293 -19.832 1.00 0.00 H ATOM 811 N THR A 83 -11.632 20.132 -17.313 1.00 10.38 N ATOM 812 CA THR A 83 -12.213 20.751 -16.127 1.00 7.27 C ATOM 813 C THR A 83 -12.571 19.646 -15.153 1.00 10.88 C ATOM 814 O THR A 83 -13.218 18.668 -15.531 1.00 10.54 O ATOM 815 CB THR A 83 -13.476 21.545 -16.460 1.00 11.47 C ATOM 816 OG1 THR A 83 -13.174 22.514 -17.471 1.00 12.82 O ATOM 817 CG2 THR A 83 -13.990 22.264 -15.213 1.00 11.58 C ATOM 818 HG1 THR A 83 -12.849 22.051 -18.284 1.00 0.00 H ATOM 819 H THR A 83 -12.094 19.299 -17.730 1.00 0.00 H ATOM 820 N ILE A 84 -12.135 19.794 -13.908 1.00 8.95 N ATOM 821 CA ILE A 84 -12.400 18.770 -12.896 1.00 8.23 C ATOM 822 C ILE A 84 -13.187 19.392 -11.750 1.00 12.79 C ATOM 823 O ILE A 84 -12.837 20.458 -11.256 1.00 10.64 O ATOM 824 CB ILE A 84 -11.093 18.154 -12.367 1.00 8.20 C ATOM 825 CG1 ILE A 84 -10.304 17.527 -13.522 1.00 7.49 C ATOM 826 CG2 ILE A 84 -11.381 17.126 -11.270 1.00 11.29 C ATOM 827 CD1 ILE A 84 -8.983 16.888 -13.111 1.00 10.70 C ATOM 828 H ILE A 84 -11.599 20.647 -13.649 1.00 0.00 H ATOM 829 N THR A 85 -14.281 18.740 -11.370 1.00 9.16 N ATOM 830 CA THR A 85 -15.130 19.227 -10.296 1.00 10.37 C ATOM 831 C THR A 85 -15.403 18.099 -9.313 1.00 13.10 C ATOM 832 O THR A 85 -15.124 16.941 -9.597 1.00 13.09 O ATOM 833 CB THR A 85 -16.469 19.748 -10.851 1.00 12.65 C ATOM 834 OG1 THR A 85 -17.091 18.717 -11.632 1.00 14.21 O ATOM 835 CG2 THR A 85 -16.228 20.967 -11.744 1.00 15.65 C ATOM 836 HG1 THR A 85 -16.495 18.468 -12.382 1.00 0.00 H ATOM 837 H THR A 85 -14.537 17.856 -11.855 1.00 0.00 H ATOM 838 N LEU A 86 -15.938 18.445 -8.150 1.00 11.69 N ATOM 839 CA LEU A 86 -16.388 17.441 -7.199 1.00 13.12 C ATOM 840 C LEU A 86 -17.904 17.386 -7.252 1.00 19.51 C ATOM 841 O LEU A 86 -18.571 18.417 -7.193 1.00 28.87 O ATOM 842 CB LEU A 86 -15.944 17.804 -5.786 1.00 15.16 C ATOM 843 CG LEU A 86 -14.712 17.116 -5.189 1.00 20.18 C ATOM 844 CD1 LEU A 86 -14.389 17.679 -3.819 1.00 16.71 C ATOM 845 CD2 LEU A 86 -14.869 15.604 -5.104 1.00 15.79 C ATOM 846 H LEU A 86 -16.038 19.453 -7.914 1.00 0.00 H ATOM 847 N ASP A 87 -18.447 16.186 -7.392 1.00 18.45 N ATOM 848 CA ASP A 87 -19.889 15.999 -7.385 1.00 19.40 C ATOM 849 C ASP A 87 -20.202 14.907 -6.383 1.00 16.34 C ATOM 850 O ASP A 87 -19.977 13.733 -6.659 1.00 17.00 O ATOM 851 CB ASP A 87 -20.404 15.605 -8.771 1.00 27.71 C ATOM 852 CG ASP A 87 -21.865 15.159 -8.754 1.00 37.66 C ATOM 853 OD1 ASP A 87 -22.634 15.637 -7.891 1.00 36.32 O ATOM 854 OD2 ASP A 87 -22.248 14.331 -9.611 1.00 40.33 O ATOM 855 H ASP A 87 -17.828 15.359 -7.510 1.00 0.00 H ATOM 856 N GLY A 88 -20.711 15.297 -5.218 1.00 20.71 N ATOM 857 CA GLY A 88 -21.048 14.333 -4.186 1.00 22.05 C ATOM 858 C GLY A 88 -19.925 13.351 -3.905 1.00 24.56 C ATOM 859 O GLY A 88 -20.134 12.134 -3.886 1.00 23.21 O ATOM 860 H GLY A 88 -20.870 16.310 -5.043 1.00 0.00 H ATOM 861 N GLY A 89 -18.721 13.879 -3.715 1.00 14.89 N ATOM 862 CA GLY A 89 -17.591 13.047 -3.343 1.00 15.04 C ATOM 863 C GLY A 89 -16.799 12.465 -4.497 1.00 20.91 C ATOM 864 O GLY A 89 -15.718 11.908 -4.295 1.00 20.64 O ATOM 865 H GLY A 89 -18.586 14.903 -3.834 1.00 0.00 H ATOM 866 N VAL A 90 -17.340 12.584 -5.706 1.00 12.46 N ATOM 867 CA VAL A 90 -16.708 12.003 -6.884 1.00 12.04 C ATOM 868 C VAL A 90 -15.974 13.078 -7.681 1.00 14.02 C ATOM 869 O VAL A 90 -16.546 14.119 -7.988 1.00 12.73 O ATOM 870 CB VAL A 90 -17.760 11.330 -7.783 1.00 14.15 C ATOM 871 CG1 VAL A 90 -17.101 10.725 -9.032 1.00 15.32 C ATOM 872 CG2 VAL A 90 -18.531 10.258 -7.005 1.00 19.10 C ATOM 873 H VAL A 90 -18.235 13.104 -5.813 1.00 0.00 H ATOM 874 N LEU A 91 -14.706 12.842 -8.010 1.00 12.58 N ATOM 875 CA LEU A 91 -13.997 13.771 -8.876 1.00 11.75 C ATOM 876 C LEU A 91 -14.438 13.485 -10.292 1.00 11.39 C ATOM 877 O LEU A 91 -14.256 12.372 -10.794 1.00 11.31 O ATOM 878 CB LEU A 91 -12.481 13.602 -8.781 1.00 13.33 C ATOM 879 CG LEU A 91 -11.769 14.172 -7.560 1.00 18.91 C ATOM 880 CD1 LEU A 91 -10.329 13.683 -7.536 1.00 17.46 C ATOM 881 CD2 LEU A 91 -11.817 15.692 -7.595 1.00 14.75 C ATOM 882 H LEU A 91 -14.223 11.995 -7.648 1.00 0.00 H ATOM 883 N VAL A 92 -15.029 14.491 -10.921 1.00 9.17 N ATOM 884 CA VAL A 92 -15.509 14.365 -12.285 1.00 7.51 C ATOM 885 C VAL A 92 -14.629 15.200 -13.201 1.00 9.90 C ATOM 886 O VAL A 92 -14.552 16.424 -13.059 1.00 9.56 O ATOM 887 CB VAL A 92 -16.972 14.825 -12.402 1.00 12.93 C ATOM 888 CG1 VAL A 92 -17.466 14.635 -13.815 1.00 13.62 C ATOM 889 CG2 VAL A 92 -17.847 14.048 -11.423 1.00 14.31 C ATOM 890 H VAL A 92 -15.152 15.396 -10.423 1.00 0.00 H ATOM 891 N HIS A 93 -13.991 14.525 -14.154 1.00 8.92 N ATOM 892 CA HIS A 93 -12.971 15.116 -15.025 1.00 8.94 C ATOM 893 C HIS A 93 -13.447 15.044 -16.478 1.00 11.84 C ATOM 894 O HIS A 93 -13.597 13.962 -17.024 1.00 9.45 O ATOM 895 CB HIS A 93 -11.671 14.315 -14.820 1.00 6.15 C ATOM 896 CG HIS A 93 -10.515 14.754 -15.669 1.00 7.60 C ATOM 897 ND1 HIS A 93 -9.280 14.145 -15.595 1.00 9.67 N ATOM 898 CD2 HIS A 93 -10.394 15.741 -16.589 1.00 10.49 C ATOM 899 CE1 HIS A 93 -8.450 14.733 -16.439 1.00 9.97 C ATOM 900 NE2 HIS A 93 -9.104 15.698 -17.064 1.00 13.43 N ATOM 901 H HIS A 93 -14.230 13.522 -14.288 1.00 0.00 H ATOM 902 N VAL A 94 -13.711 16.194 -17.096 1.00 8.02 N ATOM 903 CA VAL A 94 -14.153 16.202 -18.484 1.00 7.58 C ATOM 904 C VAL A 94 -13.022 16.718 -19.360 1.00 12.07 C ATOM 905 O VAL A 94 -12.460 17.786 -19.082 1.00 11.20 O ATOM 906 CB VAL A 94 -15.389 17.108 -18.665 1.00 16.22 C ATOM 907 CG1 VAL A 94 -15.852 17.108 -20.115 1.00 16.36 C ATOM 908 CG2 VAL A 94 -16.516 16.669 -17.742 1.00 16.47 C ATOM 909 H VAL A 94 -13.601 17.093 -16.584 1.00 0.00 H ATOM 910 N GLN A 95 -12.695 15.960 -20.405 1.00 9.57 N ATOM 911 CA GLN A 95 -11.713 16.372 -21.405 1.00 11.03 C ATOM 912 C GLN A 95 -12.424 16.703 -22.714 1.00 14.04 C ATOM 913 O GLN A 95 -13.256 15.921 -23.180 1.00 10.86 O ATOM 914 CB GLN A 95 -10.681 15.272 -21.656 1.00 10.69 C ATOM 915 CG GLN A 95 -9.806 14.893 -20.457 1.00 10.30 C ATOM 916 CD GLN A 95 -8.917 13.684 -20.756 1.00 11.86 C ATOM 917 OE1 GLN A 95 -9.188 12.907 -21.676 1.00 13.00 O ATOM 918 NE2 GLN A 95 -7.855 13.523 -19.978 1.00 8.46 N ATOM 919 HE22 GLN A 95 -7.663 14.201 -19.213 1.00 0.00 H ATOM 920 HE21 GLN A 95 -7.214 12.718 -20.133 1.00 0.00 H ATOM 921 H GLN A 95 -13.158 15.035 -20.514 1.00 0.00 H ATOM 922 N LYS A 96 -12.088 17.855 -23.302 1.00 11.23 N ATOM 923 CA LYS A 96 -12.694 18.306 -24.559 1.00 11.96 C ATOM 924 C LYS A 96 -11.597 18.537 -25.584 1.00 12.88 C ATOM 925 O LYS A 96 -10.618 19.222 -25.300 1.00 12.53 O ATOM 926 CB LYS A 96 -13.433 19.640 -24.371 1.00 16.92 C ATOM 927 CG LYS A 96 -14.484 19.680 -23.266 1.00 20.17 C ATOM 928 CD LYS A 96 -15.757 18.952 -23.658 1.00 26.94 C ATOM 929 CE LYS A 96 -16.913 19.322 -22.731 1.00 32.83 C ATOM 930 NZ LYS A 96 -18.006 18.297 -22.735 1.00 28.48 N ATOM 931 HZ1 LYS A 96 -18.386 18.201 -23.698 1.00 0.00 H ATOM 932 HZ2 LYS A 96 -17.623 17.383 -22.420 1.00 0.00 H ATOM 933 HZ3 LYS A 96 -18.764 18.598 -22.090 1.00 0.00 H ATOM 934 H LYS A 96 -11.369 18.455 -22.851 1.00 0.00 H ATOM 935 N TRP A 97 -11.751 17.975 -26.777 1.00 12.59 N ATOM 936 CA TRP A 97 -10.787 18.230 -27.837 1.00 15.73 C ATOM 937 C TRP A 97 -11.409 17.890 -29.178 1.00 20.10 C ATOM 938 O TRP A 97 -12.180 16.936 -29.283 1.00 16.97 O ATOM 939 CB TRP A 97 -9.529 17.382 -27.626 1.00 15.86 C ATOM 940 CG TRP A 97 -9.726 15.941 -28.009 1.00 16.38 C ATOM 941 CD1 TRP A 97 -9.267 15.331 -29.143 1.00 17.34 C ATOM 942 CD2 TRP A 97 -10.463 14.938 -27.283 1.00 14.05 C ATOM 943 NE1 TRP A 97 -9.651 14.009 -29.158 1.00 18.20 N ATOM 944 CE2 TRP A 97 -10.384 13.742 -28.030 1.00 14.35 C ATOM 945 CE3 TRP A 97 -11.164 14.930 -26.069 1.00 14.25 C ATOM 946 CZ2 TRP A 97 -10.989 12.559 -27.615 1.00 15.85 C ATOM 947 CZ3 TRP A 97 -11.765 13.740 -25.651 1.00 12.71 C ATOM 948 CH2 TRP A 97 -11.665 12.573 -26.421 1.00 14.85 C ATOM 949 HE1 TRP A 97 -9.422 13.323 -29.905 1.00 0.00 H ATOM 950 H TRP A 97 -12.563 17.350 -26.955 1.00 0.00 H ATOM 951 N ASP A 98 -11.088 18.683 -30.197 1.00 20.82 N ATOM 952 CA ASP A 98 -11.502 18.380 -31.567 1.00 25.56 C ATOM 953 C ASP A 98 -13.011 18.169 -31.663 1.00 22.64 C ATOM 954 O ASP A 98 -13.484 17.365 -32.462 1.00 28.50 O ATOM 955 CB ASP A 98 -10.756 17.140 -32.074 1.00 26.67 C ATOM 956 CG ASP A 98 -10.740 17.042 -33.591 1.00 35.71 C ATOM 957 OD1 ASP A 98 -10.732 18.096 -34.260 1.00 44.25 O ATOM 958 OD2 ASP A 98 -10.727 15.908 -34.112 1.00 47.25 O ATOM 959 H ASP A 98 -10.528 19.540 -30.015 1.00 0.00 H ATOM 960 N GLY A 99 -13.765 18.888 -30.838 1.00 21.99 N ATOM 961 CA GLY A 99 -15.208 18.736 -30.807 1.00 20.43 C ATOM 962 C GLY A 99 -15.681 17.445 -30.164 1.00 26.24 C ATOM 963 O GLY A 99 -16.855 17.086 -30.266 1.00 27.20 O ATOM 964 H GLY A 99 -13.312 19.574 -30.201 1.00 0.00 H ATOM 965 N LYS A 100 -14.770 16.740 -29.502 1.00 21.49 N ATOM 966 CA LYS A 100 -15.124 15.512 -28.794 1.00 17.38 C ATOM 967 C LYS A 100 -15.071 15.738 -27.284 1.00 18.95 C ATOM 968 O LYS A 100 -14.487 16.715 -26.813 1.00 14.45 O ATOM 969 CB LYS A 100 -14.170 14.382 -29.166 1.00 17.62 C ATOM 970 CG LYS A 100 -14.236 13.958 -30.622 1.00 24.06 C ATOM 971 CD LYS A 100 -13.043 13.095 -30.971 1.00 27.03 C ATOM 972 CE LYS A 100 -12.994 12.795 -32.459 1.00 28.03 C ATOM 973 NZ LYS A 100 -11.754 12.047 -32.802 1.00 37.44 N ATOM 974 HZ1 LYS A 100 -10.924 12.618 -32.545 1.00 0.00 H ATOM 975 HZ2 LYS A 100 -11.735 11.150 -32.276 1.00 0.00 H ATOM 976 HZ3 LYS A 100 -11.740 11.852 -33.823 1.00 0.00 H ATOM 977 H LYS A 100 -13.784 17.069 -29.487 1.00 0.00 H ATOM 978 N SER A 101 -15.680 14.829 -26.530 1.00 13.95 N ATOM 979 CA SER A 101 -15.684 14.939 -25.075 1.00 11.94 C ATOM 980 C SER A 101 -15.651 13.559 -24.425 1.00 14.27 C ATOM 981 O SER A 101 -16.302 12.643 -24.894 1.00 15.21 O ATOM 982 CB SER A 101 -16.937 15.684 -24.613 1.00 17.45 C ATOM 983 OG SER A 101 -16.942 15.862 -23.211 1.00 26.51 O ATOM 984 HG SER A 101 -16.920 14.977 -22.767 1.00 0.00 H ATOM 985 H SER A 101 -16.161 14.027 -26.984 1.00 0.00 H ATOM 986 N THR A 102 -14.895 13.420 -23.341 1.00 10.60 N ATOM 987 CA THR A 102 -14.906 12.185 -22.569 1.00 9.59 C ATOM 988 C THR A 102 -14.916 12.562 -21.091 1.00 11.13 C ATOM 989 O THR A 102 -14.443 13.632 -20.725 1.00 10.42 O ATOM 990 CB THR A 102 -13.708 11.276 -22.911 1.00 11.69 C ATOM 991 OG1 THR A 102 -13.834 10.016 -22.224 1.00 12.83 O ATOM 992 CG2 THR A 102 -12.393 11.936 -22.534 1.00 11.09 C ATOM 993 HG1 THR A 102 -13.061 9.440 -22.449 1.00 0.00 H ATOM 994 H THR A 102 -14.285 14.206 -23.039 1.00 0.00 H ATOM 995 N THR A 103 -15.487 11.700 -20.259 1.00 8.42 N ATOM 996 CA THR A 103 -15.601 11.958 -18.829 1.00 10.84 C ATOM 997 C THR A 103 -14.939 10.840 -18.042 1.00 11.12 C ATOM 998 O THR A 103 -15.177 9.659 -18.292 1.00 12.83 O ATOM 999 CB THR A 103 -17.081 12.091 -18.395 1.00 15.18 C ATOM 1000 OG1 THR A 103 -17.671 13.201 -19.080 1.00 16.50 O ATOM 1001 CG2 THR A 103 -17.194 12.338 -16.904 1.00 14.63 C ATOM 1002 HG1 THR A 103 -18.618 13.291 -18.806 1.00 0.00 H ATOM 1003 H THR A 103 -15.866 10.810 -20.640 1.00 0.00 H ATOM 1004 N ILE A 104 -14.096 11.234 -17.100 1.00 11.05 N ATOM 1005 CA ILE A 104 -13.384 10.308 -16.247 1.00 9.02 C ATOM 1006 C ILE A 104 -13.810 10.578 -14.810 1.00 9.13 C ATOM 1007 O ILE A 104 -13.646 11.677 -14.311 1.00 10.95 O ATOM 1008 CB ILE A 104 -11.873 10.540 -16.387 1.00 10.92 C ATOM 1009 CG1 ILE A 104 -11.467 10.424 -17.861 1.00 11.38 C ATOM 1010 CG2 ILE A 104 -11.099 9.573 -15.495 1.00 15.87 C ATOM 1011 CD1 ILE A 104 -10.259 11.249 -18.230 1.00 20.91 C ATOM 1012 H ILE A 104 -13.939 12.254 -16.968 1.00 0.00 H ATOM 1013 N LYS A 105 -14.381 9.574 -14.160 1.00 7.83 N ATOM 1014 CA LYS A 105 -14.819 9.725 -12.781 1.00 11.32 C ATOM 1015 C LYS A 105 -13.903 8.930 -11.874 1.00 9.47 C ATOM 1016 O LYS A 105 -13.573 7.780 -12.166 1.00 10.79 O ATOM 1017 CB LYS A 105 -16.267 9.256 -12.623 1.00 11.12 C ATOM 1018 CG LYS A 105 -17.254 10.137 -13.369 1.00 15.18 C ATOM 1019 CD LYS A 105 -18.681 9.921 -12.885 1.00 21.03 C ATOM 1020 CE LYS A 105 -19.651 10.808 -13.666 1.00 36.10 C ATOM 1021 NZ LYS A 105 -21.073 10.548 -13.297 1.00 39.49 N ATOM 1022 HZ1 LYS A 105 -21.307 9.555 -13.500 1.00 0.00 H ATOM 1023 HZ2 LYS A 105 -21.207 10.736 -12.283 1.00 0.00 H ATOM 1024 HZ3 LYS A 105 -21.693 11.172 -13.851 1.00 0.00 H ATOM 1025 H LYS A 105 -14.518 8.664 -14.644 1.00 0.00 H ATOM 1026 N ARG A 106 -13.471 9.563 -10.793 1.00 9.37 N ATOM 1027 CA ARG A 106 -12.593 8.918 -9.833 1.00 9.89 C ATOM 1028 C ARG A 106 -13.339 8.929 -8.511 1.00 10.22 C ATOM 1029 O ARG A 106 -13.792 9.983 -8.052 1.00 13.10 O ATOM 1030 CB ARG A 106 -11.257 9.669 -9.727 1.00 9.25 C ATOM 1031 CG ARG A 106 -10.393 9.609 -11.000 1.00 13.46 C ATOM 1032 CD ARG A 106 -9.200 10.571 -10.948 1.00 16.18 C ATOM 1033 NE ARG A 106 -8.321 10.483 -12.122 1.00 14.75 N ATOM 1034 CZ ARG A 106 -8.352 11.323 -13.153 1.00 16.91 C ATOM 1035 NH1 ARG A 106 -9.215 12.325 -13.176 1.00 16.94 N ATOM 1036 NH2 ARG A 106 -7.510 11.170 -14.170 1.00 19.19 N ATOM 1037 HE ARG A 106 -7.626 9.710 -12.149 1.00 0.00 H ATOM 1038 HH12 ARG A 106 -9.233 12.977 -13.986 1.00 0.00 H ATOM 1039 HH11 ARG A 106 -9.876 12.461 -12.384 1.00 0.00 H ATOM 1040 HH22 ARG A 106 -7.539 11.830 -14.973 1.00 0.00 H ATOM 1041 HH21 ARG A 106 -6.822 10.390 -14.163 1.00 0.00 H ATOM 1042 H ARG A 106 -13.768 10.546 -10.628 1.00 0.00 H ATOM 1043 N LYS A 107 -13.515 7.758 -7.918 1.00 11.78 N ATOM 1044 CA LYS A 107 -14.255 7.698 -6.663 1.00 13.86 C ATOM 1045 C LYS A 107 -13.633 6.707 -5.701 1.00 16.14 C ATOM 1046 O LYS A 107 -12.980 5.751 -6.108 1.00 14.59 O ATOM 1047 CB LYS A 107 -15.719 7.333 -6.907 1.00 22.54 C ATOM 1048 CG LYS A 107 -15.917 5.956 -7.517 1.00 28.47 C ATOM 1049 CD LYS A 107 -16.738 6.029 -8.800 1.00 34.14 C ATOM 1050 CE LYS A 107 -18.133 6.565 -8.538 1.00 40.97 C ATOM 1051 NZ LYS A 107 -18.939 6.635 -9.790 1.00 40.93 N ATOM 1052 HZ1 LYS A 107 -18.467 7.265 -10.470 1.00 0.00 H ATOM 1053 HZ2 LYS A 107 -19.024 5.683 -10.200 1.00 0.00 H ATOM 1054 HZ3 LYS A 107 -19.886 7.006 -9.571 1.00 0.00 H ATOM 1055 H LYS A 107 -13.130 6.891 -8.343 1.00 0.00 H ATOM 1056 N ARG A 108 -13.846 6.944 -4.414 1.00 14.13 N ATOM 1057 CA ARG A 108 -13.394 6.007 -3.392 1.00 14.50 C ATOM 1058 C ARG A 108 -14.477 4.976 -3.123 1.00 19.31 C ATOM 1059 O ARG A 108 -15.634 5.318 -2.882 1.00 20.91 O ATOM 1060 CB ARG A 108 -13.036 6.751 -2.108 1.00 21.61 C ATOM 1061 CG ARG A 108 -11.627 7.317 -2.093 1.00 22.38 C ATOM 1062 CD ARG A 108 -10.572 6.206 -1.945 1.00 23.55 C ATOM 1063 NE ARG A 108 -10.868 5.248 -0.871 1.00 21.75 N ATOM 1064 CZ ARG A 108 -10.509 5.409 0.401 1.00 27.15 C ATOM 1065 NH1 ARG A 108 -9.843 6.494 0.777 1.00 25.14 N ATOM 1066 NH2 ARG A 108 -10.823 4.491 1.308 1.00 34.77 N ATOM 1067 HE ARG A 108 -11.393 4.386 -1.121 1.00 0.00 H ATOM 1068 HH12 ARG A 108 -9.565 6.615 1.772 1.00 0.00 H ATOM 1069 HH11 ARG A 108 -9.599 7.223 0.077 1.00 0.00 H ATOM 1070 HH22 ARG A 108 -10.540 4.622 2.300 1.00 0.00 H ATOM 1071 HH21 ARG A 108 -11.352 3.641 1.026 1.00 0.00 H ATOM 1072 H ARG A 108 -14.343 7.812 -4.129 1.00 0.00 H ATOM 1073 N GLU A 109 -14.098 3.709 -3.192 1.00 13.30 N ATOM 1074 CA GLU A 109 -15.016 2.608 -2.950 1.00 16.29 C ATOM 1075 C GLU A 109 -14.303 1.617 -2.051 1.00 14.76 C ATOM 1076 O GLU A 109 -13.328 1.007 -2.470 1.00 14.82 O ATOM 1077 CB GLU A 109 -15.390 1.918 -4.261 1.00 21.73 C ATOM 1078 CG GLU A 109 -16.094 2.818 -5.268 1.00 30.82 C ATOM 1079 CD GLU A 109 -17.583 2.945 -4.997 1.00 37.74 C ATOM 1080 OE1 GLU A 109 -18.181 3.968 -5.408 1.00 42.17 O ATOM 1081 OE2 GLU A 109 -18.154 2.015 -4.384 1.00 40.36 O ATOM 1082 H GLU A 109 -13.108 3.494 -3.428 1.00 0.00 H ATOM 1083 N ASP A 110 -14.803 1.437 -0.829 1.00 17.28 N ATOM 1084 CA ASP A 110 -14.078 0.675 0.178 1.00 14.45 C ATOM 1085 C ASP A 110 -12.648 1.215 0.271 1.00 12.33 C ATOM 1086 O ASP A 110 -12.462 2.415 0.439 1.00 14.30 O ATOM 1087 CB ASP A 110 -14.123 -0.831 -0.111 1.00 16.01 C ATOM 1088 CG ASP A 110 -15.540 -1.380 -0.090 1.00 25.85 C ATOM 1089 OD1 ASP A 110 -16.338 -0.899 0.740 1.00 27.81 O ATOM 1090 OD2 ASP A 110 -15.859 -2.282 -0.898 1.00 27.55 O ATOM 1091 H ASP A 110 -15.728 1.848 -0.590 1.00 0.00 H ATOM 1092 N ASP A 111 -11.648 0.349 0.140 1.00 11.87 N ATOM 1093 CA ASP A 111 -10.260 0.793 0.247 1.00 15.26 C ATOM 1094 C ASP A 111 -9.654 1.070 -1.121 1.00 14.24 C ATOM 1095 O ASP A 111 -8.446 1.274 -1.253 1.00 15.35 O ATOM 1096 CB ASP A 111 -9.419 -0.250 0.982 1.00 16.45 C ATOM 1097 CG ASP A 111 -9.684 -0.263 2.479 1.00 19.70 C ATOM 1098 OD1 ASP A 111 -9.843 0.824 3.067 1.00 16.85 O ATOM 1099 OD2 ASP A 111 -9.731 -1.364 3.063 1.00 17.27 O ATOM 1100 H ASP A 111 -11.856 -0.654 -0.040 1.00 0.00 H ATOM 1101 N LYS A 112 -10.502 1.077 -2.138 1.00 13.04 N ATOM 1102 CA LYS A 112 -10.025 1.230 -3.506 1.00 11.26 C ATOM 1103 C LYS A 112 -10.340 2.602 -4.083 1.00 16.14 C ATOM 1104 O LYS A 112 -11.169 3.349 -3.557 1.00 14.41 O ATOM 1105 CB LYS A 112 -10.634 0.145 -4.386 1.00 13.74 C ATOM 1106 CG LYS A 112 -10.286 -1.270 -3.908 1.00 16.04 C ATOM 1107 CD LYS A 112 -11.093 -2.315 -4.658 1.00 23.55 C ATOM 1108 CE LYS A 112 -10.718 -3.724 -4.213 1.00 32.88 C ATOM 1109 NZ LYS A 112 -11.479 -4.753 -4.978 1.00 52.95 N ATOM 1110 HZ1 LYS A 112 -12.498 -4.616 -4.822 1.00 0.00 H ATOM 1111 HZ2 LYS A 112 -11.266 -4.657 -5.992 1.00 0.00 H ATOM 1112 HZ3 LYS A 112 -11.202 -5.701 -4.652 1.00 0.00 H ATOM 1113 H LYS A 112 -11.521 0.972 -1.958 1.00 0.00 H ATOM 1114 N LEU A 113 -9.640 2.939 -5.161 1.00 12.07 N ATOM 1115 CA LEU A 113 -9.959 4.138 -5.917 1.00 11.38 C ATOM 1116 C LEU A 113 -10.389 3.599 -7.268 1.00 12.72 C ATOM 1117 O LEU A 113 -9.607 2.938 -7.958 1.00 11.96 O ATOM 1118 CB LEU A 113 -8.741 5.068 -6.017 1.00 12.10 C ATOM 1119 CG LEU A 113 -8.921 6.478 -6.607 1.00 15.18 C ATOM 1120 CD1 LEU A 113 -7.765 7.391 -6.194 1.00 19.24 C ATOM 1121 CD2 LEU A 113 -9.022 6.415 -8.109 1.00 19.93 C ATOM 1122 H LEU A 113 -8.851 2.335 -5.468 1.00 0.00 H ATOM 1123 N VAL A 114 -11.645 3.846 -7.621 1.00 9.25 N ATOM 1124 CA VAL A 114 -12.215 3.329 -8.859 1.00 8.30 C ATOM 1125 C VAL A 114 -12.305 4.438 -9.910 1.00 11.40 C ATOM 1126 O VAL A 114 -12.827 5.519 -9.639 1.00 13.60 O ATOM 1127 CB VAL A 114 -13.615 2.724 -8.599 1.00 14.04 C ATOM 1128 CG1 VAL A 114 -14.237 2.209 -9.893 1.00 16.20 C ATOM 1129 CG2 VAL A 114 -13.519 1.591 -7.570 1.00 15.46 C ATOM 1130 H VAL A 114 -12.240 4.426 -6.995 1.00 0.00 H ATOM 1131 N VAL A 115 -11.767 4.173 -11.095 1.00 12.16 N ATOM 1132 CA VAL A 115 -11.773 5.146 -12.181 1.00 9.94 C ATOM 1133 C VAL A 115 -12.675 4.643 -13.296 1.00 9.70 C ATOM 1134 O VAL A 115 -12.448 3.561 -13.848 1.00 13.67 O ATOM 1135 CB VAL A 115 -10.361 5.371 -12.743 1.00 10.16 C ATOM 1136 CG1 VAL A 115 -10.366 6.516 -13.747 1.00 11.40 C ATOM 1137 CG2 VAL A 115 -9.379 5.655 -11.613 1.00 14.28 C ATOM 1138 H VAL A 115 -11.328 3.243 -11.253 1.00 0.00 H ATOM 1139 N GLU A 116 -13.699 5.423 -13.629 1.00 9.79 N ATOM 1140 CA GLU A 116 -14.657 5.031 -14.652 1.00 10.30 C ATOM 1141 C GLU A 116 -14.484 5.999 -15.809 1.00 12.27 C ATOM 1142 O GLU A 116 -14.623 7.203 -15.621 1.00 12.72 O ATOM 1143 CB GLU A 116 -16.086 5.133 -14.116 1.00 13.86 C ATOM 1144 CG GLU A 116 -17.134 4.553 -15.054 1.00 25.62 C ATOM 1145 CD GLU A 116 -18.469 5.298 -15.027 1.00 42.49 C ATOM 1146 OE1 GLU A 116 -18.476 6.531 -14.805 1.00 34.68 O ATOM 1147 OE2 GLU A 116 -19.516 4.646 -15.245 1.00 41.48 O ATOM 1148 H GLU A 116 -13.818 6.336 -13.146 1.00 0.00 H ATOM 1149 N CYS A 117 -14.151 5.487 -16.992 1.00 10.06 N ATOM 1150 CA CYS A 117 -13.912 6.352 -18.138 1.00 13.20 C ATOM 1151 C CYS A 117 -15.008 6.096 -19.154 1.00 15.80 C ATOM 1152 O CYS A 117 -15.227 4.949 -19.534 1.00 13.66 O ATOM 1153 CB CYS A 117 -12.564 6.024 -18.778 1.00 15.25 C ATOM 1154 SG CYS A 117 -11.168 6.071 -17.638 1.00 23.52 S ATOM 1155 H CYS A 117 -14.061 4.456 -17.099 1.00 0.00 H ATOM 1156 N VAL A 118 -15.684 7.154 -19.597 1.00 11.35 N ATOM 1157 CA VAL A 118 -16.804 6.994 -20.517 1.00 10.36 C ATOM 1158 C VAL A 118 -16.593 7.843 -21.759 1.00 12.34 C ATOM 1159 O VAL A 118 -16.295 9.031 -21.673 1.00 13.60 O ATOM 1160 CB VAL A 118 -18.158 7.405 -19.880 1.00 14.87 C ATOM 1161 CG1 VAL A 118 -19.281 7.255 -20.899 1.00 23.67 C ATOM 1162 CG2 VAL A 118 -18.455 6.582 -18.642 1.00 19.42 C ATOM 1163 H VAL A 118 -15.410 8.107 -19.283 1.00 0.00 H ATOM 1164 N MET A 119 -16.738 7.224 -22.921 1.00 13.13 N ATOM 1165 CA MET A 119 -16.674 7.959 -24.179 1.00 16.32 C ATOM 1166 C MET A 119 -17.857 7.477 -24.988 1.00 24.17 C ATOM 1167 O MET A 119 -17.886 6.324 -25.416 1.00 18.84 O ATOM 1168 CB MET A 119 -15.370 7.649 -24.902 1.00 16.61 C ATOM 1169 CG MET A 119 -15.292 8.157 -26.316 1.00 23.39 C ATOM 1170 SD MET A 119 -14.942 9.905 -26.301 1.00 21.65 S ATOM 1171 CE MET A 119 -14.920 10.300 -28.046 1.00 21.22 C ATOM 1172 H MET A 119 -16.900 6.197 -22.937 1.00 0.00 H ATOM 1173 N LYS A 120 -18.842 8.360 -25.150 1.00 25.72 N ATOM 1174 CA LYS A 120 -20.117 8.018 -25.770 1.00 31.47 C ATOM 1175 C LYS A 120 -20.782 6.865 -25.019 1.00 29.84 C ATOM 1176 O LYS A 120 -21.135 7.005 -23.844 1.00 37.07 O ATOM 1177 CB LYS A 120 -19.930 7.709 -27.256 1.00 25.35 C ATOM 1178 CG LYS A 120 -19.259 8.853 -28.014 1.00 35.56 C ATOM 1179 CD LYS A 120 -18.710 8.412 -29.353 1.00 41.88 C ATOM 1180 CE LYS A 120 -19.759 8.501 -30.449 1.00 45.38 C ATOM 1181 NZ LYS A 120 -19.164 8.235 -31.793 1.00 44.95 N ATOM 1182 HZ1 LYS A 120 -18.422 8.937 -31.987 1.00 0.00 H ATOM 1183 HZ2 LYS A 120 -18.752 7.280 -31.806 1.00 0.00 H ATOM 1184 HZ3 LYS A 120 -19.906 8.303 -32.519 1.00 0.00 H ATOM 1185 H LYS A 120 -18.695 9.335 -24.820 1.00 0.00 H ATOM 1186 N GLY A 121 -20.930 5.722 -25.678 1.00 28.30 N ATOM 1187 CA GLY A 121 -21.603 4.592 -25.061 1.00 23.10 C ATOM 1188 C GLY A 121 -20.668 3.605 -24.390 1.00 19.91 C ATOM 1189 O GLY A 121 -21.112 2.603 -23.820 1.00 17.21 O ATOM 1190 H GLY A 121 -20.560 5.635 -26.646 1.00 0.00 H ATOM 1191 N VAL A 122 -19.370 3.880 -24.457 1.00 17.63 N ATOM 1192 CA VAL A 122 -18.372 2.912 -24.012 1.00 16.87 C ATOM 1193 C VAL A 122 -17.748 3.302 -22.675 1.00 21.34 C ATOM 1194 O VAL A 122 -17.200 4.394 -22.532 1.00 16.70 O ATOM 1195 CB VAL A 122 -17.250 2.746 -25.048 1.00 12.61 C ATOM 1196 CG1 VAL A 122 -16.179 1.802 -24.524 1.00 17.41 C ATOM 1197 CG2 VAL A 122 -17.814 2.251 -26.388 1.00 21.76 C ATOM 1198 H VAL A 122 -19.060 4.799 -24.832 1.00 0.00 H ATOM 1199 N THR A 123 -17.817 2.390 -21.712 1.00 12.66 N ATOM 1200 CA THR A 123 -17.295 2.637 -20.370 1.00 13.54 C ATOM 1201 C THR A 123 -16.153 1.675 -20.071 1.00 18.79 C ATOM 1202 O THR A 123 -16.200 0.497 -20.433 1.00 21.86 O ATOM 1203 CB THR A 123 -18.393 2.454 -19.308 1.00 15.85 C ATOM 1204 OG1 THR A 123 -19.466 3.363 -19.568 1.00 25.30 O ATOM 1205 CG2 THR A 123 -17.847 2.712 -17.906 1.00 16.65 C ATOM 1206 HG1 THR A 123 -19.841 3.180 -20.466 1.00 0.00 H ATOM 1207 H THR A 123 -18.257 1.471 -21.920 1.00 0.00 H ATOM 1208 N SER A 124 -15.116 2.188 -19.424 1.00 13.75 N ATOM 1209 CA SER A 124 -14.039 1.345 -18.928 1.00 13.69 C ATOM 1210 C SER A 124 -13.900 1.565 -17.436 1.00 13.60 C ATOM 1211 O SER A 124 -14.009 2.698 -16.964 1.00 13.96 O ATOM 1212 CB SER A 124 -12.728 1.710 -19.613 1.00 12.93 C ATOM 1213 OG SER A 124 -11.650 1.016 -19.007 1.00 15.58 O ATOM 1214 HG SER A 124 -11.799 0.041 -19.089 1.00 0.00 H ATOM 1215 H SER A 124 -15.071 3.215 -19.268 1.00 0.00 H ATOM 1216 N THR A 125 -13.661 0.488 -16.693 1.00 11.89 N ATOM 1217 CA THR A 125 -13.470 0.594 -15.249 1.00 12.87 C ATOM 1218 C THR A 125 -12.065 0.166 -14.859 1.00 14.18 C ATOM 1219 O THR A 125 -11.634 -0.955 -15.148 1.00 13.59 O ATOM 1220 CB THR A 125 -14.497 -0.255 -14.476 1.00 16.07 C ATOM 1221 OG1 THR A 125 -15.813 0.220 -14.767 1.00 21.10 O ATOM 1222 CG2 THR A 125 -14.249 -0.158 -12.972 1.00 19.47 C ATOM 1223 HG1 THR A 125 -16.476 -0.324 -14.272 1.00 0.00 H ATOM 1224 H THR A 125 -13.609 -0.446 -17.148 1.00 0.00 H ATOM 1225 N ARG A 126 -11.343 1.070 -14.210 1.00 10.56 N ATOM 1226 CA ARG A 126 -9.999 0.770 -13.754 1.00 11.16 C ATOM 1227 C ARG A 126 -9.944 0.893 -12.249 1.00 14.05 C ATOM 1228 O ARG A 126 -10.451 1.855 -11.674 1.00 15.39 O ATOM 1229 CB ARG A 126 -8.987 1.682 -14.440 1.00 13.68 C ATOM 1230 CG ARG A 126 -8.634 1.138 -15.818 1.00 22.73 C ATOM 1231 CD ARG A 126 -8.177 2.202 -16.764 1.00 22.04 C ATOM 1232 NE ARG A 126 -6.769 2.554 -16.626 1.00 22.77 N ATOM 1233 CZ ARG A 126 -5.759 1.852 -17.131 1.00 21.63 C ATOM 1234 NH1 ARG A 126 -5.985 0.715 -17.776 1.00 22.27 N ATOM 1235 NH2 ARG A 126 -4.515 2.285 -16.976 1.00 20.21 N ATOM 1236 HE ARG A 126 -6.538 3.417 -16.094 1.00 0.00 H ATOM 1237 HH12 ARG A 126 -5.189 0.172 -18.168 1.00 0.00 H ATOM 1238 HH11 ARG A 126 -6.958 0.366 -17.890 1.00 0.00 H ATOM 1239 HH22 ARG A 126 -3.722 1.739 -17.369 1.00 0.00 H ATOM 1240 HH21 ARG A 126 -4.333 3.170 -16.461 1.00 0.00 H ATOM 1241 H ARG A 126 -11.748 2.010 -14.025 1.00 0.00 H ATOM 1242 N VAL A 127 -9.370 -0.114 -11.603 1.00 11.46 N ATOM 1243 CA VAL A 127 -9.391 -0.143 -10.150 1.00 9.32 C ATOM 1244 C VAL A 127 -7.983 -0.051 -9.604 1.00 12.55 C ATOM 1245 O VAL A 127 -7.086 -0.774 -10.057 1.00 12.71 O ATOM 1246 CB VAL A 127 -10.103 -1.407 -9.626 1.00 12.35 C ATOM 1247 CG1 VAL A 127 -9.993 -1.506 -8.101 1.00 14.01 C ATOM 1248 CG2 VAL A 127 -11.563 -1.392 -10.066 1.00 11.62 C ATOM 1249 H VAL A 127 -8.907 -0.879 -12.134 1.00 0.00 H ATOM 1250 N TYR A 128 -7.798 0.871 -8.661 1.00 10.45 N ATOM 1251 CA TYR A 128 -6.523 1.085 -7.993 1.00 10.42 C ATOM 1252 C TYR A 128 -6.625 0.715 -6.526 1.00 13.61 C ATOM 1253 O TYR A 128 -7.649 0.950 -5.890 1.00 14.52 O ATOM 1254 CB TYR A 128 -6.113 2.559 -8.078 1.00 9.50 C ATOM 1255 CG TYR A 128 -5.650 2.985 -9.451 1.00 9.58 C ATOM 1256 CD1 TYR A 128 -6.564 3.240 -10.467 1.00 13.20 C ATOM 1257 CD2 TYR A 128 -4.300 3.152 -9.722 1.00 13.54 C ATOM 1258 CE1 TYR A 128 -6.136 3.640 -11.728 1.00 13.74 C ATOM 1259 CE2 TYR A 128 -3.863 3.556 -10.968 1.00 12.61 C ATOM 1260 CZ TYR A 128 -4.784 3.791 -11.968 1.00 16.13 C ATOM 1261 OH TYR A 128 -4.345 4.186 -13.209 1.00 18.82 O ATOM 1262 HH TYR A 128 -5.123 4.312 -13.808 1.00 0.00 H ATOM 1263 H TYR A 128 -8.605 1.468 -8.388 1.00 0.00 H ATOM 1264 N GLU A 129 -5.543 0.164 -5.992 1.00 15.35 N ATOM 1265 CA GLU A 129 -5.426 -0.102 -4.564 1.00 15.40 C ATOM 1266 C GLU A 129 -4.253 0.688 -4.003 1.00 13.57 C ATOM 1267 O GLU A 129 -3.404 1.179 -4.747 1.00 14.31 O ATOM 1268 CB GLU A 129 -5.246 -1.601 -4.300 1.00 18.82 C ATOM 1269 CG GLU A 129 -6.553 -2.379 -4.358 1.00 27.69 C ATOM 1270 CD GLU A 129 -6.382 -3.879 -4.187 1.00 39.03 C ATOM 1271 OE1 GLU A 129 -5.279 -4.333 -3.803 1.00 32.62 O ATOM 1272 OE2 GLU A 129 -7.364 -4.606 -4.439 1.00 42.75 O ATOM 1273 H GLU A 129 -4.749 -0.087 -6.615 1.00 0.00 H ATOM 1274 N ARG A 130 -4.217 0.829 -2.684 1.00 16.41 N ATOM 1275 CA ARG A 130 -3.134 1.556 -2.035 1.00 13.18 C ATOM 1276 C ARG A 130 -1.809 0.859 -2.302 1.00 22.42 C ATOM 1277 O ARG A 130 -1.743 -0.373 -2.316 1.00 21.23 O ATOM 1278 CB ARG A 130 -3.389 1.620 -0.533 1.00 18.38 C ATOM 1279 CG ARG A 130 -4.633 2.393 -0.167 1.00 17.95 C ATOM 1280 CD ARG A 130 -4.261 3.819 0.151 1.00 22.82 C ATOM 1281 NE ARG A 130 -5.372 4.577 0.716 1.00 29.82 N ATOM 1282 CZ ARG A 130 -5.391 5.903 0.774 1.00 20.81 C ATOM 1283 NH1 ARG A 130 -4.362 6.588 0.302 1.00 18.44 N ATOM 1284 NH2 ARG A 130 -6.432 6.540 1.294 1.00 23.18 N ATOM 1285 HE ARG A 130 -6.188 4.053 1.091 1.00 0.00 H ATOM 1286 HH12 ARG A 130 -4.367 7.627 0.342 1.00 0.00 H ATOM 1287 HH11 ARG A 130 -3.549 6.087 -0.109 1.00 0.00 H ATOM 1288 HH22 ARG A 130 -6.438 7.579 1.335 1.00 0.00 H ATOM 1289 HH21 ARG A 130 -7.242 6.000 1.660 1.00 0.00 H ATOM 1290 H ARG A 130 -4.974 0.414 -2.104 1.00 0.00 H ATOM 1291 N ALA A 131 -0.760 1.643 -2.521 1.00 15.39 N ATOM 1292 CA ALA A 131 0.551 1.083 -2.825 1.00 24.87 C ATOM 1293 C ALA A 131 1.315 0.763 -1.547 1.00 30.42 C ATOM 1294 O ALA A 131 0.822 1.016 -0.444 1.00 38.28 O ATOM 1295 CB ALA A 131 1.345 2.034 -3.699 1.00 28.44 C ATOM 1296 H ALA A 131 -0.876 2.675 -2.475 1.00 0.00 H TER 1297 ALA A 131 HETATM 1298 O HOH 1 -3.222 -4.192 -4.123 1.00 31.66 O HETATM 1299 O HOH 2 0.450 -5.521 -17.859 1.00 26.08 O HETATM 1300 O HOH 3 -6.608 8.134 -12.961 1.00 25.94 O HETATM 1301 O HOH 4 -9.406 3.401 2.880 1.00 28.45 O HETATM 1302 O HOH 5 3.739 -1.441 -19.452 1.00 17.01 O HETATM 1303 O HOH 6 -19.530 14.561 -18.376 1.00 33.74 O HETATM 1304 O HOH 7 -15.446 -6.137 -19.168 1.00 31.38 O HETATM 1305 O HOH 8 -6.968 27.569 -12.281 1.00 22.03 O HETATM 1306 O HOH 9 -2.588 13.809 -17.950 1.00 21.36 O HETATM 1307 O HOH 10 1.975 20.173 -11.659 1.00 27.06 O HETATM 1308 O HOH 11 6.629 4.902 -23.572 1.00 25.78 O HETATM 1309 O HOH 12 -7.529 3.193 1.064 1.00 26.30 O HETATM 1310 O HOH 13 -9.169 9.975 -21.538 1.00 16.04 O HETATM 1311 O HOH 14 -6.361 -0.289 -1.169 1.00 23.01 O HETATM 1312 O HOH 15 -9.091 11.559 -30.603 1.00 28.36 O HETATM 1313 O HOH 16 -21.234 2.103 -21.221 1.00 30.45 O HETATM 1314 O HOH 17 -9.763 23.121 -5.658 1.00 14.20 O HETATM 1315 O HOH 18 -0.180 3.402 0.204 1.00 28.95 O HETATM 1316 O HOH 19 -2.978 0.687 -18.647 1.00 22.67 O HETATM 1317 O HOH 20 -9.107 28.529 -17.102 1.00 27.40 O HETATM 1318 O HOH 21 -4.707 9.421 -29.109 1.00 20.70 O HETATM 1319 O HOH 22 -1.646 12.650 -14.465 1.00 17.11 O HETATM 1320 O HOH 23 -1.067 20.128 -5.278 1.00 16.74 O HETATM 1321 O HOH 24 -1.813 9.659 -17.221 1.00 19.62 O HETATM 1322 O HOH 25 -6.362 9.245 1.688 1.00 22.85 O HETATM 1323 O HOH 26 0.904 18.630 -4.112 1.00 25.31 O HETATM 1324 O HOH 27 0.737 14.220 -6.384 1.00 17.11 O HETATM 1325 O HOH 28 -19.871 10.155 -2.013 1.00 28.44 O HETATM 1326 O HOH 29 -6.228 21.889 1.269 1.00 32.86 O HETATM 1327 O HOH 30 3.672 -1.031 -22.190 1.00 12.79 O HETATM 1328 O HOH 31 -3.030 11.461 -19.061 1.00 21.34 O HETATM 1329 O HOH 32 -13.669 26.584 -15.734 1.00 15.91 O HETATM 1330 O HOH 33 -5.889 12.541 -16.608 1.00 18.72 O HETATM 1331 O HOH 34 -6.089 27.224 -15.665 1.00 18.86 O HETATM 1332 O HOH 35 -11.805 12.373 -12.165 1.00 11.83 O HETATM 1333 O HOH 36 -16.310 18.514 -14.294 1.00 18.28 O HETATM 1334 O HOH 37 -5.256 22.344 -24.363 1.00 23.39 O HETATM 1335 O HOH 38 -18.033 -1.897 -19.852 1.00 21.07 O HETATM 1336 O HOH 39 -11.660 -3.167 -13.449 1.00 19.63 O HETATM 1337 O HOH 40 -17.971 13.639 -21.875 1.00 23.67 O HETATM 1338 O HOH 41 -2.760 6.493 -13.348 1.00 23.77 O HETATM 1339 O HOH 42 -4.172 27.144 -2.571 1.00 21.60 O HETATM 1340 O HOH 43 -17.555 8.709 -16.319 1.00 21.16 O HETATM 1341 O HOH 44 -4.529 24.174 -13.572 1.00 14.38 O HETATM 1342 O HOH 45 -10.384 21.909 -13.008 1.00 11.34 O HETATM 1343 O HOH 46 -7.327 -3.335 -30.222 1.00 29.67 O HETATM 1344 O HOH 47 -2.194 -4.219 -24.601 1.00 24.73 O HETATM 1345 O HOH 48 -17.862 0.723 2.470 1.00 22.28 O HETATM 1346 O HOH 49 7.765 6.142 -18.782 1.00 32.14 O HETATM 1347 O HOH 50 -15.349 9.158 -3.509 1.00 23.64 O HETATM 1348 O HOH 51 -8.757 -3.671 -22.613 1.00 26.77 O HETATM 1349 O HOH 52 -16.329 21.179 -7.544 1.00 18.31 O HETATM 1350 O HOH 53 -7.457 -6.325 -15.492 1.00 33.06 O HETATM 1351 O HOH 54 -11.497 -5.940 -20.830 1.00 23.06 O HETATM 1352 O HOH 55 -4.708 16.510 -29.729 1.00 28.55 O HETATM 1353 O HOH 56 -13.003 21.179 -20.203 1.00 20.53 O HETATM 1354 O HOH 57 -4.824 -2.356 -25.367 1.00 28.15 O HETATM 1355 O HOH 58 8.048 5.668 -14.827 1.00 29.27 O HETATM 1356 O HOH 59 -3.732 3.393 -35.635 1.00 21.93 O HETATM 1357 O HOH 60 2.225 15.592 -17.731 1.00 21.81 O HETATM 1358 O HOH 61 -14.852 1.123 -29.195 1.00 23.61 O HETATM 1359 O HOH 62 -1.601 5.806 -0.001 1.00 20.38 O HETATM 1360 O HOH 63 -0.446 2.733 -34.595 1.00 21.77 O HETATM 1361 O HOH 64 -0.720 8.415 -29.335 1.00 33.25 O HETATM 1362 O HOH 65 -1.670 15.845 0.152 1.00 16.82 O HETATM 1363 O HOH 66 -12.966 9.765 -31.446 1.00 31.71 O HETATM 1364 O HOH 67 -8.919 -3.277 -19.966 1.00 17.35 O HETATM 1365 O HOH 68 -9.039 20.780 -29.914 1.00 26.13 O HETATM 1366 O HOH 69 -7.117 24.598 -12.703 1.00 11.88 O HETATM 1367 O HOH 70 -11.485 -2.513 -0.611 1.00 20.11 O HETATM 1368 O HOH 71 -9.056 4.520 -32.598 1.00 25.09 O HETATM 1369 O HOH 72 -11.243 21.737 -26.746 1.00 29.89 O HETATM 1370 O HOH 73 -17.696 13.114 -27.885 1.00 23.88 O HETATM 1371 O HOH 74 -0.631 16.153 -18.391 1.00 29.21 O HETATM 1372 O HOH 75 4.864 11.808 -13.403 1.00 31.11 O HETATM 1373 O HOH 76 -0.463 18.327 -19.127 1.00 27.98 O HETATM 1374 O HOH 77 -21.498 18.063 -4.266 1.00 27.81 O HETATM 1375 O HOH 78 -0.676 4.660 -32.305 1.00 23.56 O HETATM 1376 O HOH 79 -2.292 21.915 2.194 1.00 28.33 O HETATM 1377 O HOH 80 2.706 19.717 -2.026 1.00 25.89 O HETATM 1378 O HOH 81 -0.338 4.778 -18.138 1.00 15.25 O HETATM 1379 O HOH 82 -3.098 -5.482 -21.983 1.00 33.59 O HETATM 1380 O HOH 83 -15.853 19.714 -27.397 1.00 33.08 O HETATM 1381 O HOH 84 0.666 17.350 0.702 1.00 34.11 O HETATM 1382 O HOH 85 -4.146 11.986 -14.732 1.00 29.76 O HETATM 1383 O HOH 86 3.596 3.037 -28.915 1.00 31.87 O HETATM 1384 O HOH 87 -6.248 -2.663 -22.538 1.00 29.47 O HETATM 1385 O HOH 88 -18.634 17.861 -14.952 1.00 29.99 O HETATM 1386 O HOH 89 -19.786 9.783 -17.554 1.00 33.01 O HETATM 1387 O HOH 90 -15.728 22.194 -5.201 1.00 30.58 O HETATM 1388 OAA UNN A 91 -5.772 4.549 -14.912 1.00 -0.57 O HETATM 1389 CAQ UNN A 91 -6.250 5.723 -15.199 1.00 0.03 C HETATM 1390 OAD UNN A 91 -5.720 6.797 -14.717 1.00 -0.57 O HETATM 1391 CAO UNN A 91 -7.417 5.816 -16.125 1.00 0.00 C HETATM 1392 CAM UNN A 91 -7.121 6.407 -17.425 1.00 -0.04 C HETATM 1393 CAL UNN A 91 -7.567 7.860 -17.627 1.00 -0.03 C HETATM 1394 CAN UNN A 91 -7.914 8.222 -19.054 1.00 0.03 C HETATM 1395 NAP UNN A 91 -7.653 9.585 -19.469 1.00 -0.25 N HETATM 1396 SAV UNN A 91 -6.074 9.898 -19.680 1.00 0.07 S HETATM 1397 OAB UNN A 91 -5.995 10.838 -20.889 1.00 -0.15 O HETATM 1398 OAC UNN A 91 -5.541 10.540 -18.460 1.00 -0.15 O HETATM 1399 CAS UNN A 91 -5.127 8.386 -19.969 1.00 0.12 C HETATM 1400 CAU UNN A 91 -5.161 7.618 -21.211 1.00 0.01 C HETATM 1401 CAK UNN A 91 -5.946 8.031 -22.276 1.00 -0.05 C HETATM 1402 CAG UNN A 91 -5.962 7.278 -23.473 1.00 -0.06 C HETATM 1403 CAF UNN A 91 -5.185 6.104 -23.577 1.00 -0.06 C HETATM 1404 CAJ UNN A 91 -4.420 5.696 -22.526 1.00 -0.05 C HETATM 1405 CAT UNN A 91 -4.383 6.454 -21.314 1.00 -0.01 C HETATM 1406 CAR UNN A 91 -3.596 6.046 -20.207 1.00 0.02 C HETATM 1407 BRAE UNN A 91 -2.451 4.442 -20.098 1.00 -0.05 BR HETATM 1408 CAH UNN A 91 -3.588 6.814 -19.014 1.00 -0.05 C HETATM 1409 CAI UNN A 91 -4.352 7.972 -18.917 1.00 -0.03 C HETATM 1410 H15 UNN A 91 -4.334 8.552 -18.002 1.00 0.06 H HETATM 1411 H14 UNN A 91 -2.983 6.496 -18.173 1.00 0.07 H HETATM 1412 H13 UNN A 91 -3.834 4.788 -22.609 1.00 0.06 H HETATM 1413 H12 UNN A 91 -5.197 5.526 -24.494 1.00 0.06 H HETATM 1414 H11 UNN A 91 -6.570 7.602 -24.310 1.00 0.06 H HETATM 1415 H10 UNN A 91 -6.547 8.930 -22.192 1.00 0.06 H HETATM 1416 H9 UNN A 91 -8.373 10.265 -19.611 1.00 0.17 H HETATM 1417 H7 UNN A 91 -8.989 8.033 -19.192 1.00 0.05 H HETATM 1418 H8 UNN A 91 -7.337 7.558 -19.714 1.00 0.05 H HETATM 1419 H5 UNN A 91 -6.750 8.518 -17.295 1.00 0.03 H HETATM 1420 H6 UNN A 91 -8.456 8.036 -17.003 1.00 0.03 H HETATM 1421 H3 UNN A 91 -7.617 5.794 -18.192 1.00 0.03 H HETATM 1422 H4 UNN A 91 -6.032 6.367 -17.571 1.00 0.03 H HETATM 1423 H1 UNN A 91 -8.191 6.428 -15.639 1.00 0.04 H HETATM 1424 H2 UNN A 91 -7.804 4.800 -16.291 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1388 1389 CONECT 1389 1388 1390 1391 CONECT 1390 1389 CONECT 1391 1389 1392 1423 1424 CONECT 1392 1391 1393 1421 1422 CONECT 1393 1392 1394 1419 1420 CONECT 1394 1393 1395 1417 1418 CONECT 1395 1394 1396 1416 CONECT 1396 1395 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 1400 1409 CONECT 1400 1399 1401 1405 CONECT 1401 1400 1402 1415 CONECT 1402 1401 1403 1414 CONECT 1403 1402 1404 1413 CONECT 1404 1403 1405 1412 CONECT 1405 1400 1404 1406 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1411 CONECT 1409 1399 1408 1410 CONECT 1410 1409 CONECT 1411 1408 CONECT 1412 1404 CONECT 1413 1403 CONECT 1414 1402 CONECT 1415 1401 CONECT 1416 1395 CONECT 1417 1394 CONECT 1418 1394 CONECT 1419 1393 CONECT 1420 1393 CONECT 1421 1392 CONECT 1422 1392 CONECT 1423 1391 CONECT 1424 1391 MASTER 0 0 0 0 0 0 0 0 1423 1 41 11 END
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Related entries of code: 5y13
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Protein Sequence Similarity
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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
5y13
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Fatty acid binding protein 4
Ligand Name
8K0
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=1.16uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 154: pp. 44-59
Ligand Properties
Formula
C
1
5
H
1
6
BrNO
4
S
Molecular Weight
386.261
Exact Mass
384.998
No. of atoms
38
No. of bonds
39
Polar Surface Area
91.85
LOGP Value
4.48 (
Computed with XLOGP3
)
4.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
OC(=O)CCCCNS(=O)(=O)c1ccc(c2c1cccc2)Br
InChI String
InChI=1S/C15H16BrNO4S/c16-13-8-9-14(12-6-2-1-5-11(12)13)22(20,21)17-10-4-3-7-15(18)19/h1-2,5-6,8-9,17H,3-4,7,10H2,(H,18,19)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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