Browse entries in the PDBbind-CN Database
HEADER 1P28_COMPLEX COMPND 1P28_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 ASN SER SER THR GLN SER TYR LYS ASP ALA MET GLY PRO SEQRES 2 A 119 LEU VAL ARG GLU CYS MET GLY SER VAL SER ALA THR GLU SEQRES 3 A 119 ASP ASP PHE LYS THR VAL LEU ASN ARG ASN PRO LEU GLU SEQRES 4 A 119 SER ARG THR ALA GLN CYS LEU LEU ALA CYS ALA LEU ASP SEQRES 5 A 119 LYS VAL GLY LEU ILE SER PRO GLU GLY ALA ILE TYR THR SEQRES 6 A 119 GLY ASP ASP LEU MET PRO VAL MET ASN ARG LEU TYR GLY SEQRES 7 A 119 PHE ASN ASP PHE LYS THR VAL MET LYS ALA LYS ALA VAL SEQRES 8 A 119 ASN ASP CYS ALA ASN GLN VAL ASN GLY ALA TYR PRO ASP SEQRES 9 A 119 ARG CYS ASP LEU ILE LYS ASN PHE THR ASP CYS VAL ARG SEQRES 10 A 119 ASN SER HET HBS A 245 14 SSBOND 1 CYS A 16 CYS A 47 SSBOND 2 CYS A 43 CYS A 104 SSBOND 3 CYS A 92 CYS A 113 ATOM 1 N ASN A -1 14.372 15.242 -6.577 1.00 28.30 N ATOM 2 CA ASN A -1 14.931 13.855 -6.448 1.00 27.98 C ATOM 3 C ASN A -1 13.958 12.692 -6.799 1.00 25.50 C ATOM 4 O ASN A -1 12.802 12.603 -6.357 1.00 24.47 O ATOM 5 CB ASN A -1 15.600 13.672 -5.085 1.00 29.38 C ATOM 6 CG ASN A -1 16.655 12.581 -5.093 1.00 32.30 C ATOM 7 OD1 ASN A -1 16.328 11.385 -5.147 1.00 38.85 O ATOM 8 ND2 ASN A -1 17.931 12.978 -5.040 1.00 37.54 N ATOM 9 HA ASN A -1 15.686 13.778 -7.230 1.00 0.00 H ATOM 10 HB2 ASN A -1 16.072 14.612 -4.799 1.00 0.00 H ATOM 11 HB3 ASN A -1 14.835 13.413 -4.353 1.00 0.00 H ATOM 12 HD22 ASN A -1 18.159 13.992 -4.996 1.00 0.00 H ATOM 13 HD21 ASN A -1 18.696 12.273 -5.043 1.00 0.00 H ATOM 14 HN3 ASN A -1 13.555 15.346 -5.941 1.00 0.00 H ATOM 15 HN2 ASN A -1 14.071 15.403 -7.559 1.00 0.00 H ATOM 16 HN1 ASN A -1 15.104 15.935 -6.319 1.00 0.00 H ATOM 17 N SER A 0 14.487 11.794 -7.605 1.00 23.16 N ATOM 18 CA SER A 0 13.706 10.905 -8.435 1.00 21.61 C ATOM 19 C SER A 0 13.046 9.790 -7.643 1.00 20.95 C ATOM 20 O SER A 0 11.880 9.480 -7.846 1.00 18.75 O ATOM 21 CB SER A 0 14.611 10.327 -9.504 1.00 22.16 C ATOM 22 OG SER A 0 13.856 9.750 -10.542 1.00 23.32 O ATOM 23 HA SER A 0 12.897 11.481 -8.884 1.00 0.00 H ATOM 24 HB2 SER A 0 15.248 9.563 -9.058 1.00 0.00 H ATOM 25 HB3 SER A 0 15.233 11.123 -9.914 1.00 0.00 H ATOM 26 HG SER A 0 13.292 9.024 -10.174 1.00 0.00 H ATOM 27 H SER A 0 15.524 11.721 -7.646 1.00 0.00 H ATOM 28 N SER A 1 13.791 9.203 -6.724 1.00 19.46 N ATOM 29 CA SER A 1 13.225 8.129 -5.910 1.00 19.00 C ATOM 30 C SER A 1 12.146 8.585 -4.944 1.00 18.43 C ATOM 31 O SER A 1 11.169 7.868 -4.723 1.00 19.34 O ATOM 32 CB SER A 1 14.336 7.364 -5.173 1.00 19.22 C ATOM 33 OG SER A 1 15.049 6.594 -6.125 1.00 20.41 O ATOM 34 HA SER A 1 12.726 7.457 -6.608 1.00 0.00 H ATOM 35 HB2 SER A 1 13.897 6.708 -4.421 1.00 0.00 H ATOM 36 HB3 SER A 1 15.011 8.069 -4.688 1.00 0.00 H ATOM 37 HG SER A 1 15.771 6.093 -5.669 1.00 0.00 H ATOM 38 H SER A 1 14.776 9.504 -6.580 1.00 0.00 H ATOM 39 N THR A 2 12.312 9.761 -4.348 1.00 18.54 N ATOM 40 CA THR A 2 11.295 10.334 -3.486 1.00 18.97 C ATOM 41 C THR A 2 10.023 10.518 -4.294 1.00 17.08 C ATOM 42 O THR A 2 8.968 10.132 -3.850 1.00 16.65 O ATOM 43 CB THR A 2 11.745 11.692 -2.946 1.00 20.02 C ATOM 44 OG1 THR A 2 12.858 11.490 -2.062 1.00 23.27 O ATOM 45 CG2 THR A 2 10.650 12.346 -2.075 1.00 21.74 C ATOM 46 HA THR A 2 11.124 9.664 -2.643 1.00 0.00 H ATOM 47 HB THR A 2 11.982 12.321 -3.804 1.00 0.00 H ATOM 48 HG1 THR A 2 13.158 12.364 -1.706 1.00 0.00 H ATOM 49 HG23 THR A 2 9.765 12.531 -2.684 1.00 0.00 H ATOM 50 HG21 THR A 2 10.394 11.677 -1.253 1.00 0.00 H ATOM 51 HG22 THR A 2 11.021 13.290 -1.675 1.00 0.00 H ATOM 52 H THR A 2 13.196 10.286 -4.504 1.00 0.00 H ATOM 53 N GLN A 3 10.151 11.073 -5.503 1.00 14.26 N ATOM 54 CA GLN A 3 8.975 11.285 -6.342 1.00 13.23 C ATOM 55 C GLN A 3 8.315 9.992 -6.761 1.00 12.42 C ATOM 56 O GLN A 3 7.095 9.859 -6.647 1.00 11.86 O ATOM 57 CB GLN A 3 9.331 12.137 -7.563 1.00 11.96 C ATOM 58 CG GLN A 3 8.121 12.514 -8.402 1.00 12.20 C ATOM 59 CD GLN A 3 7.155 13.445 -7.706 1.00 14.91 C ATOM 60 OE1 GLN A 3 7.549 14.515 -7.214 1.00 14.64 O ATOM 61 NE2 GLN A 3 5.860 13.100 -7.753 1.00 14.94 N ATOM 62 HA GLN A 3 8.247 11.823 -5.736 1.00 0.00 H ATOM 63 HB2 GLN A 3 9.813 13.052 -7.219 1.00 0.00 H ATOM 64 HB3 GLN A 3 10.025 11.575 -8.188 1.00 0.00 H ATOM 65 HG2 GLN A 3 8.473 13.002 -9.311 1.00 0.00 H ATOM 66 HG3 GLN A 3 7.588 11.600 -8.665 1.00 0.00 H ATOM 67 HE22 GLN A 3 5.579 12.192 -8.175 1.00 0.00 H ATOM 68 HE21 GLN A 3 5.137 13.740 -7.367 1.00 0.00 H ATOM 69 H GLN A 3 11.091 11.355 -5.847 1.00 0.00 H ATOM 70 N SER A 4 9.084 9.014 -7.235 1.00 13.03 N ATOM 71 CA SER A 4 8.436 7.818 -7.775 1.00 12.70 C ATOM 72 C SER A 4 7.710 7.062 -6.661 1.00 12.31 C ATOM 73 O SER A 4 6.651 6.488 -6.865 1.00 11.82 O ATOM 74 CB SER A 4 9.407 6.909 -8.507 1.00 15.02 C ATOM 75 OG SER A 4 10.441 6.474 -7.663 1.00 18.46 O ATOM 76 HA SER A 4 7.706 8.149 -8.514 1.00 0.00 H ATOM 77 HB2 SER A 4 9.840 7.455 -9.346 1.00 0.00 H ATOM 78 HB3 SER A 4 8.866 6.040 -8.881 1.00 0.00 H ATOM 79 HG SER A 4 10.055 5.973 -6.902 1.00 0.00 H ATOM 80 H SER A 4 10.121 9.098 -7.222 1.00 0.00 H ATOM 81 N TYR A 5 8.300 7.063 -5.477 1.00 12.75 N ATOM 82 CA TYR A 5 7.639 6.428 -4.327 1.00 12.83 C ATOM 83 C TYR A 5 6.283 7.054 -4.095 1.00 12.90 C ATOM 84 O TYR A 5 5.295 6.364 -3.953 1.00 12.85 O ATOM 85 CB TYR A 5 8.503 6.557 -3.073 1.00 12.38 C ATOM 86 CG TYR A 5 7.956 5.845 -1.870 1.00 11.88 C ATOM 87 CD1 TYR A 5 7.253 6.532 -0.877 1.00 11.65 C ATOM 88 CD2 TYR A 5 8.178 4.506 -1.703 1.00 13.44 C ATOM 89 CE1 TYR A 5 6.766 5.893 0.243 1.00 13.76 C ATOM 90 CE2 TYR A 5 7.721 3.863 -0.566 1.00 14.59 C ATOM 91 CZ TYR A 5 7.003 4.559 0.393 1.00 14.01 C ATOM 92 OH TYR A 5 6.550 3.879 1.505 1.00 15.43 O ATOM 93 HA TYR A 5 7.505 5.369 -4.546 1.00 0.00 H ATOM 94 HB3 TYR A 5 8.597 7.615 -2.830 1.00 0.00 H ATOM 95 HB2 TYR A 5 9.489 6.147 -3.294 1.00 0.00 H ATOM 96 HD2 TYR A 5 8.716 3.944 -2.467 1.00 0.00 H ATOM 97 HE2 TYR A 5 7.927 2.802 -0.424 1.00 0.00 H ATOM 98 HE1 TYR A 5 6.202 6.444 0.995 1.00 0.00 H ATOM 99 HD1 TYR A 5 7.085 7.603 -0.991 1.00 0.00 H ATOM 100 HH TYR A 5 6.058 4.504 2.095 1.00 0.00 H ATOM 101 H TYR A 5 9.230 7.512 -5.360 1.00 0.00 H ATOM 102 N LYS A 6 6.243 8.376 -4.088 1.00 12.62 N ATOM 103 CA LYS A 6 5.005 9.080 -3.869 1.00 12.96 C ATOM 104 C LYS A 6 3.985 8.769 -4.972 1.00 10.96 C ATOM 105 O LYS A 6 2.805 8.656 -4.690 1.00 12.23 O ATOM 106 CB LYS A 6 5.267 10.567 -3.761 1.00 14.14 C ATOM 107 CG LYS A 6 6.074 10.913 -2.546 1.00 17.32 C ATOM 108 CD LYS A 6 6.322 12.413 -2.515 1.00 19.16 C ATOM 109 CE LYS A 6 6.899 12.869 -1.194 1.00 22.27 C ATOM 110 NZ LYS A 6 7.131 14.306 -1.340 1.00 23.76 N ATOM 111 HA LYS A 6 4.573 8.738 -2.929 1.00 0.00 H ATOM 112 HB2 LYS A 6 5.810 10.893 -4.648 1.00 0.00 H ATOM 113 HB3 LYS A 6 4.312 11.089 -3.709 1.00 0.00 H ATOM 114 HG2 LYS A 6 5.529 10.616 -1.650 1.00 0.00 H ATOM 115 HG3 LYS A 6 7.028 10.387 -2.581 1.00 0.00 H ATOM 116 HD2 LYS A 6 7.021 12.670 -3.311 1.00 0.00 H ATOM 117 HD3 LYS A 6 5.377 12.929 -2.682 1.00 0.00 H ATOM 118 HE2 LYS A 6 7.836 12.351 -0.989 1.00 0.00 H ATOM 119 HE3 LYS A 6 6.195 12.677 -0.385 1.00 0.00 H ATOM 120 HZ1 LYS A 6 7.797 14.471 -2.122 1.00 0.00 H ATOM 121 HZ2 LYS A 6 6.229 14.782 -1.545 1.00 0.00 H ATOM 122 HZ3 LYS A 6 7.531 14.683 -0.457 1.00 0.00 H ATOM 123 H LYS A 6 7.118 8.916 -4.243 1.00 0.00 H ATOM 124 N ASP A 7 4.429 8.690 -6.227 1.00 10.79 N ATOM 125 CA ASP A 7 3.560 8.432 -7.365 1.00 10.82 C ATOM 126 C ASP A 7 2.843 7.089 -7.200 1.00 11.36 C ATOM 127 O ASP A 7 1.657 6.984 -7.479 1.00 13.19 O ATOM 128 CB ASP A 7 4.336 8.376 -8.692 1.00 10.81 C ATOM 129 CG ASP A 7 5.075 9.650 -9.039 1.00 11.65 C ATOM 130 OD1 ASP A 7 4.607 10.759 -8.683 1.00 13.58 O ATOM 131 OD2 ASP A 7 6.138 9.599 -9.732 1.00 12.19 O ATOM 132 HA ASP A 7 2.849 9.258 -7.396 1.00 0.00 H ATOM 133 HB2 ASP A 7 5.063 7.567 -8.628 1.00 0.00 H ATOM 134 HB3 ASP A 7 3.628 8.164 -9.493 1.00 0.00 H ATOM 135 H ASP A 7 5.446 8.819 -6.401 1.00 0.00 H ATOM 136 N ALA A 8 3.594 6.059 -6.807 1.00 11.75 N ATOM 137 CA ALA A 8 3.031 4.717 -6.679 1.00 12.76 C ATOM 138 C ALA A 8 2.214 4.568 -5.391 1.00 13.11 C ATOM 139 O ALA A 8 1.110 3.989 -5.393 1.00 13.71 O ATOM 140 CB ALA A 8 4.146 3.671 -6.732 1.00 13.22 C ATOM 141 HA ALA A 8 2.353 4.556 -7.517 1.00 0.00 H ATOM 142 HB1 ALA A 8 4.671 3.750 -7.684 1.00 0.00 H ATOM 143 HB2 ALA A 8 4.845 3.845 -5.914 1.00 0.00 H ATOM 144 HB3 ALA A 8 3.713 2.675 -6.636 1.00 0.00 H ATOM 145 H ALA A 8 4.599 6.214 -6.588 1.00 0.00 H ATOM 146 N MET A 9 2.734 5.113 -4.298 1.00 13.46 N ATOM 147 CA MET A 9 2.128 4.822 -2.996 1.00 13.30 C ATOM 148 C MET A 9 0.985 5.745 -2.658 1.00 13.33 C ATOM 149 O MET A 9 0.092 5.358 -1.944 1.00 13.48 O ATOM 150 CB MET A 9 3.179 4.906 -1.905 1.00 13.64 C ATOM 151 CG MET A 9 4.207 3.824 -2.006 1.00 14.21 C ATOM 152 SD MET A 9 3.487 2.190 -1.623 1.00 15.81 S ATOM 153 CE MET A 9 3.279 2.383 0.143 1.00 18.56 C ATOM 154 HA MET A 9 1.722 3.812 -3.060 1.00 0.00 H ATOM 155 HB2 MET A 9 3.680 5.871 -1.978 1.00 0.00 H ATOM 156 HB3 MET A 9 2.684 4.827 -0.937 1.00 0.00 H ATOM 157 HG2 MET A 9 5.012 4.032 -1.302 1.00 0.00 H ATOM 158 HG3 MET A 9 4.608 3.807 -3.020 1.00 0.00 H ATOM 159 HE1 MET A 9 4.249 2.568 0.604 1.00 0.00 H ATOM 160 HE2 MET A 9 2.616 3.225 0.340 1.00 0.00 H ATOM 161 HE3 MET A 9 2.845 1.473 0.558 1.00 0.00 H ATOM 162 H MET A 9 3.562 5.739 -4.365 1.00 0.00 H ATOM 163 N GLY A 10 1.045 6.983 -3.125 1.00 13.24 N ATOM 164 CA GLY A 10 0.021 7.971 -2.759 1.00 14.15 C ATOM 165 C GLY A 10 -1.415 7.435 -2.903 1.00 13.47 C ATOM 166 O GLY A 10 -2.176 7.473 -1.944 1.00 13.49 O ATOM 167 HA3 GLY A 10 0.133 8.842 -3.405 1.00 0.00 H ATOM 168 HA2 GLY A 10 0.179 8.266 -1.722 1.00 0.00 H ATOM 169 H GLY A 10 1.824 7.258 -3.757 1.00 0.00 H ATOM 170 N PRO A 11 -1.797 6.921 -4.062 1.00 12.90 N ATOM 171 CA PRO A 11 -3.155 6.387 -4.239 1.00 13.39 C ATOM 172 C PRO A 11 -3.471 5.197 -3.348 1.00 12.12 C ATOM 173 O PRO A 11 -4.610 5.083 -2.883 1.00 12.95 O ATOM 174 CB PRO A 11 -3.201 5.999 -5.732 1.00 13.44 C ATOM 175 CG PRO A 11 -2.138 6.879 -6.339 1.00 14.35 C ATOM 176 CD PRO A 11 -1.044 6.936 -5.335 1.00 14.69 C ATOM 177 HA PRO A 11 -3.907 7.123 -3.953 1.00 0.00 H ATOM 178 HD3 PRO A 11 -0.385 6.071 -5.417 1.00 0.00 H ATOM 179 HD2 PRO A 11 -0.458 7.849 -5.438 1.00 0.00 H ATOM 180 HG3 PRO A 11 -2.533 7.877 -6.529 1.00 0.00 H ATOM 181 HG2 PRO A 11 -1.776 6.449 -7.273 1.00 0.00 H ATOM 182 HB2 PRO A 11 -2.965 4.944 -5.871 1.00 0.00 H ATOM 183 HB3 PRO A 11 -4.180 6.211 -6.163 1.00 0.00 H ATOM 184 N LEU A 12 -2.464 4.384 -3.063 1.00 12.34 N ATOM 185 CA LEU A 12 -2.667 3.221 -2.221 1.00 11.67 C ATOM 186 C LEU A 12 -2.881 3.630 -0.766 1.00 11.29 C ATOM 187 O LEU A 12 -3.738 3.089 -0.074 1.00 10.66 O ATOM 188 CB LEU A 12 -1.479 2.274 -2.366 1.00 11.76 C ATOM 189 CG LEU A 12 -1.166 1.876 -3.817 1.00 15.61 C ATOM 190 CD1 LEU A 12 -0.005 0.896 -3.845 1.00 16.66 C ATOM 191 CD2 LEU A 12 -2.412 1.311 -4.433 1.00 18.81 C ATOM 192 HA LEU A 12 -3.569 2.700 -2.543 1.00 0.00 H ATOM 193 HB2 LEU A 12 -0.599 2.762 -1.947 1.00 0.00 H ATOM 194 HB3 LEU A 12 -1.693 1.367 -1.801 1.00 0.00 H ATOM 195 HG LEU A 12 -0.859 2.743 -4.403 1.00 0.00 H ATOM 196 HD21 LEU A 12 -2.731 0.436 -3.867 1.00 0.00 H ATOM 197 HD22 LEU A 12 -3.199 2.065 -4.414 1.00 0.00 H ATOM 198 HD23 LEU A 12 -2.208 1.023 -5.464 1.00 0.00 H ATOM 199 HD11 LEU A 12 0.874 1.364 -3.402 1.00 0.00 H ATOM 200 HD12 LEU A 12 -0.270 0.005 -3.276 1.00 0.00 H ATOM 201 HD13 LEU A 12 0.210 0.619 -4.877 1.00 0.00 H ATOM 202 H LEU A 12 -1.518 4.582 -3.447 1.00 0.00 H ATOM 203 N VAL A 13 -2.095 4.586 -0.304 1.00 10.89 N ATOM 204 CA VAL A 13 -2.251 5.129 1.045 1.00 11.44 C ATOM 205 C VAL A 13 -3.629 5.768 1.199 1.00 11.46 C ATOM 206 O VAL A 13 -4.316 5.546 2.184 1.00 11.60 O ATOM 207 CB VAL A 13 -1.142 6.140 1.368 1.00 11.01 C ATOM 208 CG1 VAL A 13 -1.290 6.676 2.762 1.00 11.16 C ATOM 209 CG2 VAL A 13 0.241 5.493 1.247 1.00 11.06 C ATOM 210 HA VAL A 13 -2.166 4.307 1.756 1.00 0.00 H ATOM 211 HB VAL A 13 -1.234 6.954 0.649 1.00 0.00 H ATOM 212 HG11 VAL A 13 -2.255 7.173 2.858 1.00 0.00 H ATOM 213 HG12 VAL A 13 -1.231 5.853 3.474 1.00 0.00 H ATOM 214 HG13 VAL A 13 -0.491 7.390 2.962 1.00 0.00 H ATOM 215 HG21 VAL A 13 0.313 4.659 1.945 1.00 0.00 H ATOM 216 HG22 VAL A 13 0.383 5.130 0.229 1.00 0.00 H ATOM 217 HG23 VAL A 13 1.008 6.231 1.481 1.00 0.00 H ATOM 218 H VAL A 13 -1.344 4.963 -0.917 1.00 0.00 H ATOM 219 N ARG A 14 -4.030 6.555 0.217 1.00 12.91 N ATOM 220 CA ARG A 14 -5.370 7.124 0.222 1.00 13.11 C ATOM 221 C ARG A 14 -6.453 6.036 0.318 1.00 13.69 C ATOM 222 O ARG A 14 -7.368 6.175 1.108 1.00 15.32 O ATOM 223 CB ARG A 14 -5.614 7.969 -1.029 1.00 14.05 C ATOM 224 CG ARG A 14 -4.761 9.205 -1.150 1.00 16.37 C ATOM 225 CD ARG A 14 -5.392 10.378 -0.666 1.00 19.43 C ATOM 226 NE ARG A 14 -4.619 11.613 -0.798 1.00 16.10 N ATOM 227 CZ ARG A 14 -4.586 12.515 0.188 1.00 16.10 C ATOM 228 NH1 ARG A 14 -5.244 12.295 1.315 1.00 18.92 N ATOM 229 NH2 ARG A 14 -3.889 13.623 0.063 1.00 13.64 N ATOM 230 HA ARG A 14 -5.436 7.759 1.105 1.00 0.00 H ATOM 231 HB2 ARG A 14 -5.425 7.343 -1.901 1.00 0.00 H ATOM 232 HB3 ARG A 14 -6.659 8.280 -1.027 1.00 0.00 H ATOM 233 HG2 ARG A 14 -3.843 9.048 -0.583 1.00 0.00 H ATOM 234 HG3 ARG A 14 -4.516 9.354 -2.202 1.00 0.00 H ATOM 235 HD2 ARG A 14 -5.610 10.230 0.392 1.00 0.00 H ATOM 236 HD3 ARG A 14 -6.326 10.507 -1.213 1.00 0.00 H ATOM 237 HE ARG A 14 -4.086 11.792 -1.673 1.00 0.00 H ATOM 238 HH12 ARG A 14 -5.216 12.999 2.080 1.00 0.00 H ATOM 239 HH11 ARG A 14 -5.789 11.418 1.436 1.00 0.00 H ATOM 240 HH22 ARG A 14 -3.872 14.317 0.838 1.00 0.00 H ATOM 241 HH21 ARG A 14 -3.355 13.806 -0.811 1.00 0.00 H ATOM 242 H ARG A 14 -3.382 6.770 -0.568 1.00 0.00 H ATOM 243 N GLU A 15 -6.325 4.961 -0.468 1.00 14.16 N ATOM 244 CA GLU A 15 -7.282 3.852 -0.413 1.00 14.25 C ATOM 245 C GLU A 15 -7.384 3.291 0.993 1.00 13.69 C ATOM 246 O GLU A 15 -8.427 2.807 1.389 1.00 15.17 O ATOM 247 CB GLU A 15 -6.857 2.720 -1.356 1.00 15.43 C ATOM 248 CG GLU A 15 -7.162 2.941 -2.813 1.00 19.19 C ATOM 249 CD GLU A 15 -6.832 1.717 -3.649 1.00 22.14 C ATOM 250 OE1 GLU A 15 -5.984 0.875 -3.199 1.00 22.98 O ATOM 251 OE2 GLU A 15 -7.412 1.607 -4.746 1.00 24.77 O ATOM 252 HA GLU A 15 -8.250 4.246 -0.721 1.00 0.00 H ATOM 253 HB2 GLU A 15 -5.780 2.585 -1.255 1.00 0.00 H ATOM 254 HB3 GLU A 15 -7.367 1.810 -1.040 1.00 0.00 H ATOM 255 HG2 GLU A 15 -8.223 3.168 -2.922 1.00 0.00 H ATOM 256 HG3 GLU A 15 -6.573 3.784 -3.173 1.00 0.00 H ATOM 257 H GLU A 15 -5.528 4.911 -1.134 1.00 0.00 H ATOM 258 N CYS A 16 -6.264 3.283 1.720 1.00 12.68 N ATOM 259 CA CYS A 16 -6.131 2.620 3.004 1.00 12.73 C ATOM 260 C CYS A 16 -6.547 3.489 4.182 1.00 12.58 C ATOM 261 O CYS A 16 -6.670 2.998 5.282 1.00 13.67 O ATOM 262 CB CYS A 16 -4.655 2.246 3.212 1.00 13.13 C ATOM 263 SG CYS A 16 -4.179 0.749 2.314 1.00 13.42 S ATOM 264 HA CYS A 16 -6.790 1.752 2.977 1.00 0.00 H ATOM 265 HB2 CYS A 16 -4.483 2.084 4.276 1.00 0.00 H ATOM 266 HB3 CYS A 16 -4.034 3.072 2.866 1.00 0.00 H ATOM 267 H CYS A 16 -5.434 3.784 1.342 1.00 0.00 H ATOM 268 N MET A 17 -6.679 4.792 3.983 1.00 13.06 N ATOM 269 CA MET A 17 -6.845 5.684 5.129 1.00 13.96 C ATOM 270 C MET A 17 -8.040 5.337 6.009 1.00 14.78 C ATOM 271 O MET A 17 -7.903 5.198 7.226 1.00 16.00 O ATOM 272 CB MET A 17 -6.885 7.146 4.675 1.00 14.21 C ATOM 273 CG MET A 17 -5.490 7.688 4.346 1.00 14.06 C ATOM 274 SD MET A 17 -5.562 9.285 3.559 1.00 16.59 S ATOM 275 CE MET A 17 -6.068 10.297 4.960 1.00 15.73 C ATOM 276 HA MET A 17 -5.969 5.537 5.761 1.00 0.00 H ATOM 277 HB2 MET A 17 -7.510 7.221 3.785 1.00 0.00 H ATOM 278 HB3 MET A 17 -7.317 7.750 5.473 1.00 0.00 H ATOM 279 HG2 MET A 17 -4.989 6.988 3.677 1.00 0.00 H ATOM 280 HG3 MET A 17 -4.920 7.777 5.271 1.00 0.00 H ATOM 281 HE1 MET A 17 -7.028 9.943 5.335 1.00 0.00 H ATOM 282 HE2 MET A 17 -5.319 10.224 5.749 1.00 0.00 H ATOM 283 HE3 MET A 17 -6.162 11.335 4.642 1.00 0.00 H ATOM 284 H MET A 17 -6.665 5.178 3.017 1.00 0.00 H ATOM 285 N GLY A 18 -9.203 5.170 5.412 1.00 15.68 N ATOM 286 CA GLY A 18 -10.401 4.911 6.210 1.00 17.28 C ATOM 287 C GLY A 18 -10.288 3.682 7.104 1.00 18.25 C ATOM 288 O GLY A 18 -10.732 3.672 8.271 1.00 18.07 O ATOM 289 HA3 GLY A 18 -11.242 4.767 5.532 1.00 0.00 H ATOM 290 HA2 GLY A 18 -10.589 5.780 6.841 1.00 0.00 H ATOM 291 H GLY A 18 -9.269 5.222 4.375 1.00 0.00 H ATOM 292 N SER A 19 -9.622 2.658 6.583 1.00 19.24 N ATOM 293 CA SER A 19 -9.501 1.386 7.281 1.00 20.34 C ATOM 294 C SER A 19 -8.750 1.518 8.609 1.00 21.89 C ATOM 295 O SER A 19 -8.917 0.679 9.492 1.00 22.46 O ATOM 296 CB SER A 19 -8.795 0.335 6.400 1.00 21.35 C ATOM 297 OG SER A 19 -7.381 0.551 6.358 1.00 22.30 O ATOM 298 HA SER A 19 -10.518 1.059 7.497 1.00 0.00 H ATOM 299 HB2 SER A 19 -9.193 0.396 5.387 1.00 0.00 H ATOM 300 HB3 SER A 19 -8.990 -0.657 6.807 1.00 0.00 H ATOM 301 HG SER A 19 -7.196 1.449 5.984 1.00 0.00 H ATOM 302 H SER A 19 -9.174 2.768 5.651 1.00 0.00 H ATOM 303 N VAL A 20 -7.903 2.546 8.747 1.00 21.64 N ATOM 304 CA VAL A 20 -7.132 2.763 9.960 1.00 22.34 C ATOM 305 C VAL A 20 -7.467 4.115 10.596 1.00 22.37 C ATOM 306 O VAL A 20 -6.755 4.600 11.465 1.00 24.41 O ATOM 307 CB VAL A 20 -5.615 2.599 9.675 1.00 22.99 C ATOM 308 CG1 VAL A 20 -5.336 1.212 9.128 1.00 23.40 C ATOM 309 CG2 VAL A 20 -5.112 3.652 8.678 1.00 22.65 C ATOM 310 HA VAL A 20 -7.408 2.002 10.690 1.00 0.00 H ATOM 311 HB VAL A 20 -5.084 2.739 10.617 1.00 0.00 H ATOM 312 HG11 VAL A 20 -5.647 0.465 9.859 1.00 0.00 H ATOM 313 HG12 VAL A 20 -5.893 1.069 8.202 1.00 0.00 H ATOM 314 HG13 VAL A 20 -4.269 1.108 8.932 1.00 0.00 H ATOM 315 HG21 VAL A 20 -5.653 3.548 7.738 1.00 0.00 H ATOM 316 HG22 VAL A 20 -5.281 4.648 9.087 1.00 0.00 H ATOM 317 HG23 VAL A 20 -4.046 3.505 8.503 1.00 0.00 H ATOM 318 H VAL A 20 -7.793 3.214 7.957 1.00 0.00 H ATOM 319 N SER A 21 -8.538 4.734 10.138 1.00 21.99 N ATOM 320 CA SER A 21 -8.983 6.046 10.593 1.00 22.49 C ATOM 321 C SER A 21 -7.884 7.101 10.506 1.00 21.69 C ATOM 322 O SER A 21 -7.790 8.001 11.361 1.00 21.66 O ATOM 323 CB SER A 21 -9.528 5.965 12.021 1.00 22.92 C ATOM 324 OG SER A 21 -10.501 4.941 12.116 1.00 26.52 O ATOM 325 HA SER A 21 -9.782 6.358 9.920 1.00 0.00 H ATOM 326 HB2 SER A 21 -9.982 6.919 12.288 1.00 0.00 H ATOM 327 HB3 SER A 21 -8.709 5.749 12.707 1.00 0.00 H ATOM 328 HG SER A 21 -10.845 4.899 13.043 1.00 0.00 H ATOM 329 H SER A 21 -9.101 4.256 9.406 1.00 0.00 H ATOM 330 N ALA A 22 -7.056 6.992 9.473 1.00 19.93 N ATOM 331 CA ALA A 22 -5.959 7.942 9.272 1.00 19.45 C ATOM 332 C ALA A 22 -6.406 9.359 8.989 1.00 18.76 C ATOM 333 O ALA A 22 -7.420 9.587 8.324 1.00 18.41 O ATOM 334 CB ALA A 22 -5.086 7.463 8.105 1.00 19.39 C ATOM 335 HA ALA A 22 -5.408 7.970 10.212 1.00 0.00 H ATOM 336 HB1 ALA A 22 -4.681 6.478 8.337 1.00 0.00 H ATOM 337 HB2 ALA A 22 -5.691 7.405 7.200 1.00 0.00 H ATOM 338 HB3 ALA A 22 -4.268 8.167 7.952 1.00 0.00 H ATOM 339 H ALA A 22 -7.189 6.216 8.793 1.00 0.00 H ATOM 340 N THR A 23 -5.598 10.320 9.442 1.00 17.84 N ATOM 341 CA THR A 23 -5.765 11.710 9.080 1.00 16.86 C ATOM 342 C THR A 23 -4.853 12.068 7.924 1.00 15.31 C ATOM 343 O THR A 23 -3.976 11.289 7.527 1.00 13.01 O ATOM 344 CB THR A 23 -5.370 12.609 10.260 1.00 17.44 C ATOM 345 OG1 THR A 23 -3.953 12.500 10.480 1.00 18.01 O ATOM 346 CG2 THR A 23 -6.033 12.132 11.539 1.00 19.75 C ATOM 347 HA THR A 23 -6.809 11.859 8.806 1.00 0.00 H ATOM 348 HB THR A 23 -5.674 13.628 10.023 1.00 0.00 H ATOM 349 HG1 THR A 23 -3.693 13.078 11.240 1.00 0.00 H ATOM 350 HG23 THR A 23 -7.116 12.193 11.430 1.00 0.00 H ATOM 351 HG21 THR A 23 -5.743 11.099 11.734 1.00 0.00 H ATOM 352 HG22 THR A 23 -5.714 12.763 12.369 1.00 0.00 H ATOM 353 H THR A 23 -4.819 10.059 10.079 1.00 0.00 H ATOM 354 N GLU A 24 -5.011 13.291 7.435 1.00 14.29 N ATOM 355 CA GLU A 24 -4.151 13.793 6.388 1.00 13.25 C ATOM 356 C GLU A 24 -2.689 13.825 6.823 1.00 12.92 C ATOM 357 O GLU A 24 -1.771 13.579 6.042 1.00 11.27 O ATOM 358 CB GLU A 24 -4.591 15.187 5.948 1.00 13.64 C ATOM 359 CG GLU A 24 -3.822 15.689 4.737 1.00 12.12 C ATOM 360 CD GLU A 24 -4.099 14.926 3.461 1.00 10.70 C ATOM 361 OE1 GLU A 24 -3.460 15.260 2.443 1.00 11.50 O ATOM 362 OE2 GLU A 24 -4.941 13.995 3.448 1.00 13.52 O ATOM 363 HA GLU A 24 -4.238 13.108 5.545 1.00 0.00 H ATOM 364 HB2 GLU A 24 -5.652 15.156 5.700 1.00 0.00 H ATOM 365 HB3 GLU A 24 -4.433 15.880 6.774 1.00 0.00 H ATOM 366 HG2 GLU A 24 -4.086 16.734 4.574 1.00 0.00 H ATOM 367 HG3 GLU A 24 -2.757 15.615 4.955 1.00 0.00 H ATOM 368 H GLU A 24 -5.766 13.899 7.811 1.00 0.00 H ATOM 369 N ASP A 25 -2.463 14.128 8.090 1.00 13.13 N ATOM 370 CA ASP A 25 -1.106 14.116 8.574 1.00 13.99 C ATOM 371 C ASP A 25 -0.461 12.715 8.549 1.00 13.35 C ATOM 372 O ASP A 25 0.734 12.579 8.309 1.00 13.90 O ATOM 373 CB ASP A 25 -1.030 14.673 9.970 1.00 14.44 C ATOM 374 CG ASP A 25 0.410 14.872 10.409 1.00 15.17 C ATOM 375 OD1 ASP A 25 0.894 14.042 11.241 1.00 14.99 O ATOM 376 OD2 ASP A 25 1.167 15.690 9.870 1.00 18.12 O ATOM 377 HA ASP A 25 -0.542 14.748 7.888 1.00 0.00 H ATOM 378 HB2 ASP A 25 -1.546 15.633 9.998 1.00 0.00 H ATOM 379 HB3 ASP A 25 -1.518 13.980 10.656 1.00 0.00 H ATOM 380 H ASP A 25 -3.250 14.370 8.725 1.00 0.00 H ATOM 381 N ASP A 26 -1.253 11.687 8.811 1.00 13.67 N ATOM 382 CA ASP A 26 -0.791 10.314 8.735 1.00 12.62 C ATOM 383 C ASP A 26 -0.443 9.985 7.288 1.00 12.40 C ATOM 384 O ASP A 26 0.585 9.404 7.006 1.00 11.35 O ATOM 385 CB ASP A 26 -1.868 9.366 9.245 1.00 14.38 C ATOM 386 CG ASP A 26 -2.158 9.553 10.721 1.00 15.88 C ATOM 387 OD1 ASP A 26 -3.334 9.429 11.148 1.00 18.41 O ATOM 388 OD2 ASP A 26 -1.241 9.850 11.508 1.00 18.90 O ATOM 389 HA ASP A 26 0.095 10.194 9.359 1.00 0.00 H ATOM 390 HB2 ASP A 26 -2.785 9.544 8.683 1.00 0.00 H ATOM 391 HB3 ASP A 26 -1.537 8.341 9.081 1.00 0.00 H ATOM 392 H ASP A 26 -2.241 11.870 9.081 1.00 0.00 H ATOM 393 N PHE A 27 -1.278 10.419 6.349 1.00 10.70 N ATOM 394 CA PHE A 27 -0.961 10.242 4.930 1.00 11.44 C ATOM 395 C PHE A 27 0.404 10.843 4.622 1.00 10.70 C ATOM 396 O PHE A 27 1.232 10.243 3.958 1.00 12.56 O ATOM 397 CB PHE A 27 -2.038 10.928 4.078 1.00 11.14 C ATOM 398 CG PHE A 27 -1.701 11.013 2.626 1.00 10.84 C ATOM 399 CD1 PHE A 27 -1.955 9.951 1.801 1.00 11.38 C ATOM 400 CD2 PHE A 27 -1.187 12.167 2.080 1.00 14.78 C ATOM 401 CE1 PHE A 27 -1.629 10.023 0.482 1.00 12.22 C ATOM 402 CE2 PHE A 27 -0.896 12.256 0.745 1.00 13.60 C ATOM 403 CZ PHE A 27 -1.129 11.191 -0.066 1.00 12.20 C ATOM 404 HA PHE A 27 -0.937 9.178 4.696 1.00 0.00 H ATOM 405 HB2 PHE A 27 -2.967 10.367 4.182 1.00 0.00 H ATOM 406 HB3 PHE A 27 -2.182 11.940 4.457 1.00 0.00 H ATOM 407 HD2 PHE A 27 -1.008 13.028 2.724 1.00 0.00 H ATOM 408 HE2 PHE A 27 -0.480 13.176 0.335 1.00 0.00 H ATOM 409 HZ PHE A 27 -0.925 11.256 -1.135 1.00 0.00 H ATOM 410 HE1 PHE A 27 -1.764 9.147 -0.153 1.00 0.00 H ATOM 411 HD1 PHE A 27 -2.418 9.049 2.200 1.00 0.00 H ATOM 412 H PHE A 27 -2.164 10.888 6.624 1.00 0.00 H ATOM 413 N LYS A 28 0.628 12.068 5.075 1.00 10.78 N ATOM 414 CA LYS A 28 1.855 12.745 4.769 1.00 11.50 C ATOM 415 C LYS A 28 3.067 12.067 5.406 1.00 12.22 C ATOM 416 O LYS A 28 4.130 12.044 4.791 1.00 14.13 O ATOM 417 CB LYS A 28 1.757 14.230 5.156 1.00 12.05 C ATOM 418 CG LYS A 28 0.853 14.973 4.237 1.00 12.21 C ATOM 419 CD LYS A 28 0.581 16.373 4.717 1.00 12.25 C ATOM 420 CE LYS A 28 -0.162 17.150 3.657 1.00 16.10 C ATOM 421 NZ LYS A 28 -0.581 18.529 4.096 1.00 14.84 N ATOM 422 HA LYS A 28 2.009 12.684 3.692 1.00 0.00 H ATOM 423 HB2 LYS A 28 1.371 14.307 6.172 1.00 0.00 H ATOM 424 HB3 LYS A 28 2.751 14.675 5.112 1.00 0.00 H ATOM 425 HG2 LYS A 28 1.317 15.023 3.252 1.00 0.00 H ATOM 426 HG3 LYS A 28 -0.093 14.436 4.165 1.00 0.00 H ATOM 427 HD2 LYS A 28 -0.022 16.333 5.624 1.00 0.00 H ATOM 428 HD3 LYS A 28 1.527 16.871 4.933 1.00 0.00 H ATOM 429 HE2 LYS A 28 -1.056 16.590 3.383 1.00 0.00 H ATOM 430 HE3 LYS A 28 0.485 17.248 2.785 1.00 0.00 H ATOM 431 HZ1 LYS A 28 -1.209 18.453 4.921 1.00 0.00 H ATOM 432 HZ2 LYS A 28 0.262 19.082 4.351 1.00 0.00 H ATOM 433 HZ3 LYS A 28 -1.084 19.001 3.318 1.00 0.00 H ATOM 434 H LYS A 28 -0.092 12.542 5.657 1.00 0.00 H ATOM 435 N THR A 29 2.905 11.525 6.610 1.00 13.61 N ATOM 436 CA THR A 29 4.006 10.838 7.310 1.00 14.10 C ATOM 437 C THR A 29 4.521 9.706 6.457 1.00 14.87 C ATOM 438 O THR A 29 5.738 9.510 6.274 1.00 15.54 O ATOM 439 CB THR A 29 3.512 10.265 8.652 1.00 15.01 C ATOM 440 OG1 THR A 29 3.284 11.338 9.558 1.00 17.01 O ATOM 441 CG2 THR A 29 4.612 9.355 9.315 1.00 14.25 C ATOM 442 HA THR A 29 4.802 11.559 7.496 1.00 0.00 H ATOM 443 HB THR A 29 2.608 9.688 8.455 1.00 0.00 H ATOM 444 HG1 THR A 29 4.128 11.836 9.697 1.00 0.00 H ATOM 445 HG23 THR A 29 4.827 8.511 8.659 1.00 0.00 H ATOM 446 HG21 THR A 29 5.520 9.938 9.469 1.00 0.00 H ATOM 447 HG22 THR A 29 4.248 8.988 10.274 1.00 0.00 H ATOM 448 H THR A 29 1.975 11.588 7.071 1.00 0.00 H ATOM 449 N VAL A 30 3.564 8.942 5.934 1.00 14.99 N ATOM 450 CA VAL A 30 3.843 7.773 5.138 1.00 14.97 C ATOM 451 C VAL A 30 4.430 8.174 3.769 1.00 16.05 C ATOM 452 O VAL A 30 5.392 7.577 3.293 1.00 16.65 O ATOM 453 CB VAL A 30 2.562 6.906 4.978 1.00 14.95 C ATOM 454 CG1 VAL A 30 2.789 5.800 4.011 1.00 15.08 C ATOM 455 CG2 VAL A 30 2.157 6.374 6.308 1.00 13.89 C ATOM 456 HA VAL A 30 4.591 7.170 5.653 1.00 0.00 H ATOM 457 HB VAL A 30 1.758 7.527 4.583 1.00 0.00 H ATOM 458 HG11 VAL A 30 3.055 6.217 3.040 1.00 0.00 H ATOM 459 HG12 VAL A 30 3.600 5.166 4.370 1.00 0.00 H ATOM 460 HG13 VAL A 30 1.878 5.209 3.917 1.00 0.00 H ATOM 461 HG21 VAL A 30 2.963 5.763 6.714 1.00 0.00 H ATOM 462 HG22 VAL A 30 1.953 7.205 6.984 1.00 0.00 H ATOM 463 HG23 VAL A 30 1.259 5.766 6.197 1.00 0.00 H ATOM 464 H VAL A 30 2.572 9.200 6.107 1.00 0.00 H ATOM 465 N LEU A 31 3.844 9.194 3.149 1.00 16.23 N ATOM 466 CA LEU A 31 4.233 9.612 1.817 1.00 16.85 C ATOM 467 C LEU A 31 5.652 10.138 1.825 1.00 17.62 C ATOM 468 O LEU A 31 6.409 9.964 0.866 1.00 18.85 O ATOM 469 CB LEU A 31 3.280 10.693 1.336 1.00 16.10 C ATOM 470 CG LEU A 31 3.252 10.957 -0.146 1.00 20.86 C ATOM 471 CD1 LEU A 31 2.603 9.839 -0.867 1.00 22.44 C ATOM 472 CD2 LEU A 31 2.516 12.281 -0.389 1.00 23.71 C ATOM 473 HA LEU A 31 4.186 8.757 1.143 1.00 0.00 H ATOM 474 HB2 LEU A 31 2.273 10.406 1.640 1.00 0.00 H ATOM 475 HB3 LEU A 31 3.557 11.623 1.833 1.00 0.00 H ATOM 476 HG LEU A 31 4.270 11.034 -0.529 1.00 0.00 H ATOM 477 HD21 LEU A 31 1.499 12.206 -0.004 1.00 0.00 H ATOM 478 HD22 LEU A 31 3.041 13.087 0.124 1.00 0.00 H ATOM 479 HD23 LEU A 31 2.487 12.488 -1.459 1.00 0.00 H ATOM 480 HD11 LEU A 31 3.158 8.919 -0.684 1.00 0.00 H ATOM 481 HD12 LEU A 31 1.579 9.724 -0.511 1.00 0.00 H ATOM 482 HD13 LEU A 31 2.595 10.053 -1.936 1.00 0.00 H ATOM 483 H LEU A 31 3.082 9.708 3.636 1.00 0.00 H ATOM 484 N ASN A 32 6.029 10.768 2.925 1.00 16.77 N ATOM 485 CA ASN A 32 7.366 11.317 3.073 1.00 18.63 C ATOM 486 C ASN A 32 8.428 10.328 3.562 1.00 18.45 C ATOM 487 O ASN A 32 9.623 10.672 3.662 1.00 20.00 O ATOM 488 CB ASN A 32 7.273 12.500 4.020 1.00 17.89 C ATOM 489 CG ASN A 32 6.621 13.733 3.354 1.00 22.00 C ATOM 490 OD1 ASN A 32 6.813 14.003 2.165 1.00 23.41 O ATOM 491 ND2 ASN A 32 5.838 14.482 4.141 1.00 22.34 N ATOM 492 HA ASN A 32 7.706 11.606 2.079 1.00 0.00 H ATOM 493 HB2 ASN A 32 6.676 12.211 4.885 1.00 0.00 H ATOM 494 HB3 ASN A 32 8.278 12.768 4.347 1.00 0.00 H ATOM 495 HD22 ASN A 32 5.701 14.221 5.138 1.00 0.00 H ATOM 496 HD21 ASN A 32 5.367 15.325 3.755 1.00 0.00 H ATOM 497 H ASN A 32 5.350 10.873 3.705 1.00 0.00 H ATOM 498 N ARG A 33 8.002 9.107 3.861 1.00 18.55 N ATOM 499 CA ARG A 33 8.891 8.069 4.380 1.00 18.58 C ATOM 500 C ARG A 33 9.541 8.496 5.685 1.00 18.66 C ATOM 501 O ARG A 33 10.739 8.233 5.921 1.00 17.98 O ATOM 502 CB ARG A 33 9.929 7.647 3.341 1.00 19.33 C ATOM 503 CG ARG A 33 9.280 6.928 2.178 1.00 19.77 C ATOM 504 CD ARG A 33 10.232 6.480 1.090 1.00 24.58 C ATOM 505 NE ARG A 33 10.916 7.633 0.532 1.00 26.90 N ATOM 506 CZ ARG A 33 11.986 7.574 -0.236 1.00 32.62 C ATOM 507 NH1 ARG A 33 12.508 6.400 -0.602 1.00 34.76 N ATOM 508 NH2 ARG A 33 12.533 8.702 -0.649 1.00 33.90 N ATOM 509 HA ARG A 33 8.279 7.193 4.596 1.00 0.00 H ATOM 510 HB2 ARG A 33 10.441 8.534 2.969 1.00 0.00 H ATOM 511 HB3 ARG A 33 10.653 6.981 3.811 1.00 0.00 H ATOM 512 HG2 ARG A 33 8.772 6.046 2.567 1.00 0.00 H ATOM 513 HG3 ARG A 33 8.548 7.600 1.731 1.00 0.00 H ATOM 514 HD2 ARG A 33 9.672 5.975 0.303 1.00 0.00 H ATOM 515 HD3 ARG A 33 10.965 5.792 1.511 1.00 0.00 H ATOM 516 HE ARG A 33 10.534 8.574 0.754 1.00 0.00 H ATOM 517 HH12 ARG A 33 13.353 6.373 -1.208 1.00 0.00 H ATOM 518 HH11 ARG A 33 12.070 5.513 -0.281 1.00 0.00 H ATOM 519 HH22 ARG A 33 13.377 8.679 -1.256 1.00 0.00 H ATOM 520 HH21 ARG A 33 12.120 9.614 -0.368 1.00 0.00 H ATOM 521 H ARG A 33 6.997 8.880 3.721 1.00 0.00 H ATOM 522 N ASN A 34 8.745 9.149 6.537 1.00 18.50 N ATOM 523 CA ASN A 34 9.163 9.533 7.884 1.00 19.37 C ATOM 524 C ASN A 34 9.094 8.335 8.839 1.00 19.20 C ATOM 525 O ASN A 34 8.439 7.343 8.528 1.00 17.04 O ATOM 526 CB ASN A 34 8.333 10.744 8.386 1.00 20.55 C ATOM 527 CG ASN A 34 8.721 12.050 7.666 1.00 22.40 C ATOM 528 OD1 ASN A 34 9.827 12.168 7.154 1.00 26.51 O ATOM 529 ND2 ASN A 34 7.794 13.006 7.576 1.00 25.11 N ATOM 530 HA ASN A 34 10.205 9.850 7.854 1.00 0.00 H ATOM 531 HB2 ASN A 34 7.276 10.544 8.208 1.00 0.00 H ATOM 532 HB3 ASN A 34 8.503 10.868 9.456 1.00 0.00 H ATOM 533 HD22 ASN A 34 6.864 12.873 8.023 1.00 0.00 H ATOM 534 HD21 ASN A 34 8.001 13.884 7.059 1.00 0.00 H ATOM 535 H ASN A 34 7.783 9.395 6.227 1.00 0.00 H ATOM 536 N PRO A 35 9.784 8.390 9.979 1.00 19.16 N ATOM 537 CA PRO A 35 9.650 7.311 10.965 1.00 19.50 C ATOM 538 C PRO A 35 8.191 7.178 11.398 1.00 18.87 C ATOM 539 O PRO A 35 7.473 8.162 11.569 1.00 18.72 O ATOM 540 CB PRO A 35 10.553 7.749 12.120 1.00 20.55 C ATOM 541 CG PRO A 35 11.447 8.762 11.544 1.00 20.83 C ATOM 542 CD PRO A 35 10.687 9.453 10.456 1.00 20.12 C ATOM 543 HA PRO A 35 9.937 6.332 10.581 1.00 0.00 H ATOM 544 HD3 PRO A 35 10.126 10.303 10.844 1.00 0.00 H ATOM 545 HD2 PRO A 35 11.353 9.791 9.662 1.00 0.00 H ATOM 546 HG3 PRO A 35 12.337 8.285 11.134 1.00 0.00 H ATOM 547 HG2 PRO A 35 11.741 9.480 12.309 1.00 0.00 H ATOM 548 HB2 PRO A 35 9.960 8.177 12.929 1.00 0.00 H ATOM 549 HB3 PRO A 35 11.127 6.903 12.500 1.00 0.00 H ATOM 550 N LEU A 36 7.767 5.944 11.550 1.00 17.29 N ATOM 551 CA LEU A 36 6.382 5.635 11.786 1.00 17.25 C ATOM 552 C LEU A 36 6.265 5.442 13.269 1.00 17.89 C ATOM 553 O LEU A 36 6.337 4.334 13.773 1.00 18.18 O ATOM 554 CB LEU A 36 6.025 4.375 11.004 1.00 17.86 C ATOM 555 CG LEU A 36 6.258 4.431 9.489 1.00 19.43 C ATOM 556 CD1 LEU A 36 5.994 3.064 8.907 1.00 22.33 C ATOM 557 CD2 LEU A 36 5.366 5.427 8.810 1.00 20.35 C ATOM 558 HA LEU A 36 5.696 6.415 11.457 1.00 0.00 H ATOM 559 HB2 LEU A 36 6.622 3.555 11.403 1.00 0.00 H ATOM 560 HB3 LEU A 36 4.968 4.168 11.171 1.00 0.00 H ATOM 561 HG LEU A 36 7.289 4.742 9.322 1.00 0.00 H ATOM 562 HD21 LEU A 36 4.324 5.156 8.981 1.00 0.00 H ATOM 563 HD22 LEU A 36 5.556 6.420 9.217 1.00 0.00 H ATOM 564 HD23 LEU A 36 5.572 5.427 7.740 1.00 0.00 H ATOM 565 HD11 LEU A 36 6.672 2.341 9.360 1.00 0.00 H ATOM 566 HD12 LEU A 36 4.963 2.776 9.113 1.00 0.00 H ATOM 567 HD13 LEU A 36 6.157 3.092 7.830 1.00 0.00 H ATOM 568 H LEU A 36 8.455 5.166 11.498 1.00 0.00 H ATOM 569 N GLU A 37 6.081 6.543 13.985 1.00 18.01 N ATOM 570 CA GLU A 37 6.097 6.508 15.451 1.00 19.32 C ATOM 571 C GLU A 37 4.721 6.540 16.098 1.00 19.25 C ATOM 572 O GLU A 37 4.617 6.785 17.311 1.00 21.66 O ATOM 573 CB GLU A 37 6.953 7.678 15.979 1.00 19.91 C ATOM 574 CG GLU A 37 8.375 7.660 15.432 1.00 23.68 C ATOM 575 CD GLU A 37 9.242 8.873 15.807 1.00 30.34 C ATOM 576 OE1 GLU A 37 8.722 10.001 15.963 1.00 34.36 O ATOM 577 OE2 GLU A 37 10.474 8.698 15.907 1.00 34.81 O ATOM 578 HA GLU A 37 6.529 5.547 15.729 1.00 0.00 H ATOM 579 HB2 GLU A 37 6.479 8.616 15.689 1.00 0.00 H ATOM 580 HB3 GLU A 37 6.997 7.616 17.066 1.00 0.00 H ATOM 581 HG2 GLU A 37 8.869 6.764 15.808 1.00 0.00 H ATOM 582 HG3 GLU A 37 8.317 7.611 14.345 1.00 0.00 H ATOM 583 H GLU A 37 5.922 7.448 13.498 1.00 0.00 H ATOM 584 N SER A 38 3.675 6.280 15.323 1.00 17.60 N ATOM 585 CA SER A 38 2.345 6.004 15.850 1.00 16.94 C ATOM 586 C SER A 38 1.824 4.723 15.241 1.00 16.18 C ATOM 587 O SER A 38 2.156 4.389 14.104 1.00 14.60 O ATOM 588 CB SER A 38 1.405 7.165 15.522 1.00 18.07 C ATOM 589 OG SER A 38 1.004 7.149 14.156 1.00 18.64 O ATOM 590 HA SER A 38 2.397 5.893 16.933 1.00 0.00 H ATOM 591 HB2 SER A 38 1.918 8.104 15.729 1.00 0.00 H ATOM 592 HB3 SER A 38 0.518 7.090 16.152 1.00 0.00 H ATOM 593 HG SER A 38 0.398 7.913 13.982 1.00 0.00 H ATOM 594 H SER A 38 3.811 6.273 14.292 1.00 0.00 H ATOM 595 N ARG A 39 0.994 3.996 15.977 1.00 15.60 N ATOM 596 CA ARG A 39 0.405 2.788 15.409 1.00 15.59 C ATOM 597 C ARG A 39 -0.382 3.078 14.135 1.00 14.72 C ATOM 598 O ARG A 39 -0.366 2.294 13.188 1.00 14.05 O ATOM 599 CB ARG A 39 -0.512 2.051 16.406 1.00 16.30 C ATOM 600 CG ARG A 39 -1.103 0.767 15.803 1.00 18.51 C ATOM 601 CD ARG A 39 -1.511 -0.376 16.789 1.00 20.39 C ATOM 602 NE ARG A 39 -2.474 -1.313 16.175 1.00 21.30 N ATOM 603 CZ ARG A 39 -2.154 -2.436 15.512 1.00 22.28 C ATOM 604 NH1 ARG A 39 -0.898 -2.785 15.382 1.00 22.07 N ATOM 605 NH2 ARG A 39 -3.109 -3.216 15.011 1.00 24.24 N ATOM 606 HA ARG A 39 1.250 2.142 15.169 1.00 0.00 H ATOM 607 HB2 ARG A 39 0.068 1.790 17.291 1.00 0.00 H ATOM 608 HB3 ARG A 39 -1.328 2.715 16.691 1.00 0.00 H ATOM 609 HG2 ARG A 39 -1.995 1.050 15.244 1.00 0.00 H ATOM 610 HG3 ARG A 39 -0.361 0.357 15.118 1.00 0.00 H ATOM 611 HD2 ARG A 39 -1.966 0.067 17.675 1.00 0.00 H ATOM 612 HD3 ARG A 39 -0.617 -0.928 17.079 1.00 0.00 H ATOM 613 HE ARG A 39 -3.485 -1.084 16.264 1.00 0.00 H ATOM 614 HH12 ARG A 39 -0.650 -3.655 14.868 1.00 0.00 H ATOM 615 HH11 ARG A 39 -0.148 -2.192 15.792 1.00 0.00 H ATOM 616 HH22 ARG A 39 -2.855 -4.085 14.498 1.00 0.00 H ATOM 617 HH21 ARG A 39 -4.109 -2.957 15.132 1.00 0.00 H ATOM 618 H ARG A 39 0.765 4.284 16.950 1.00 0.00 H ATOM 619 N THR A 40 -1.112 4.187 14.110 1.00 13.89 N ATOM 620 CA THR A 40 -1.924 4.501 12.939 1.00 14.20 C ATOM 621 C THR A 40 -1.049 4.607 11.692 1.00 12.44 C ATOM 622 O THR A 40 -1.401 4.068 10.657 1.00 12.48 O ATOM 623 CB THR A 40 -2.680 5.828 13.124 1.00 14.30 C ATOM 624 OG1 THR A 40 -3.628 5.671 14.197 1.00 16.81 O ATOM 625 CG2 THR A 40 -3.514 6.113 11.923 1.00 14.59 C ATOM 626 HA THR A 40 -2.644 3.692 12.819 1.00 0.00 H ATOM 627 HB THR A 40 -1.948 6.614 13.307 1.00 0.00 H ATOM 628 HG1 THR A 40 -3.146 5.438 15.030 1.00 0.00 H ATOM 629 HG23 THR A 40 -2.867 6.247 11.056 1.00 0.00 H ATOM 630 HG21 THR A 40 -4.192 5.278 11.747 1.00 0.00 H ATOM 631 HG22 THR A 40 -4.091 7.022 12.091 1.00 0.00 H ATOM 632 H THR A 40 -1.105 4.832 14.926 1.00 0.00 H ATOM 633 N ALA A 41 0.058 5.336 11.794 1.00 11.96 N ATOM 634 CA ALA A 41 0.993 5.496 10.669 1.00 11.94 C ATOM 635 C ALA A 41 1.592 4.153 10.246 1.00 12.22 C ATOM 636 O ALA A 41 1.674 3.862 9.046 1.00 11.78 O ATOM 637 CB ALA A 41 2.120 6.485 11.010 1.00 12.84 C ATOM 638 HA ALA A 41 0.419 5.899 9.835 1.00 0.00 H ATOM 639 HB1 ALA A 41 1.689 7.459 11.243 1.00 0.00 H ATOM 640 HB2 ALA A 41 2.676 6.117 11.872 1.00 0.00 H ATOM 641 HB3 ALA A 41 2.791 6.578 10.156 1.00 0.00 H ATOM 642 H ALA A 41 0.270 5.808 12.696 1.00 0.00 H ATOM 643 N GLN A 42 1.944 3.326 11.227 1.00 11.81 N ATOM 644 CA GLN A 42 2.493 1.997 10.960 1.00 11.81 C ATOM 645 C GLN A 42 1.479 1.166 10.202 1.00 12.35 C ATOM 646 O GLN A 42 1.819 0.521 9.190 1.00 12.29 O ATOM 647 CB GLN A 42 2.898 1.319 12.283 1.00 11.55 C ATOM 648 CG GLN A 42 4.020 2.035 13.044 1.00 13.93 C ATOM 649 CD GLN A 42 4.129 1.567 14.468 1.00 14.62 C ATOM 650 OE1 GLN A 42 3.480 0.581 14.862 1.00 15.84 O ATOM 651 NE2 GLN A 42 4.936 2.248 15.247 1.00 15.95 N ATOM 652 HA GLN A 42 3.386 2.088 10.342 1.00 0.00 H ATOM 653 HB2 GLN A 42 2.020 1.278 12.928 1.00 0.00 H ATOM 654 HB3 GLN A 42 3.230 0.305 12.059 1.00 0.00 H ATOM 655 HG2 GLN A 42 4.966 1.843 12.538 1.00 0.00 H ATOM 656 HG3 GLN A 42 3.819 3.106 13.041 1.00 0.00 H ATOM 657 HE22 GLN A 42 5.456 3.065 14.869 1.00 0.00 H ATOM 658 HE21 GLN A 42 5.055 1.970 16.242 1.00 0.00 H ATOM 659 H GLN A 42 1.825 3.634 12.213 1.00 0.00 H ATOM 660 N CYS A 43 0.221 1.182 10.659 1.00 10.95 N ATOM 661 CA CYS A 43 -0.837 0.394 10.044 1.00 12.09 C ATOM 662 C CYS A 43 -1.204 0.930 8.669 1.00 11.44 C ATOM 663 O CYS A 43 -1.535 0.182 7.767 1.00 10.51 O ATOM 664 CB CYS A 43 -2.071 0.341 10.930 1.00 12.34 C ATOM 665 SG CYS A 43 -1.777 -0.662 12.426 1.00 13.79 S ATOM 666 HA CYS A 43 -0.452 -0.619 9.925 1.00 0.00 H ATOM 667 HB2 CYS A 43 -2.894 -0.097 10.366 1.00 0.00 H ATOM 668 HB3 CYS A 43 -2.336 1.355 11.229 1.00 0.00 H ATOM 669 H CYS A 43 -0.008 1.777 11.481 1.00 0.00 H ATOM 670 N LEU A 44 -1.137 2.236 8.506 1.00 10.46 N ATOM 671 CA LEU A 44 -1.444 2.830 7.193 1.00 11.05 C ATOM 672 C LEU A 44 -0.416 2.398 6.149 1.00 11.00 C ATOM 673 O LEU A 44 -0.789 1.990 5.052 1.00 10.88 O ATOM 674 CB LEU A 44 -1.429 4.352 7.308 1.00 11.43 C ATOM 675 CG LEU A 44 -1.759 5.175 6.054 1.00 11.06 C ATOM 676 CD1 LEU A 44 -3.118 4.848 5.504 1.00 11.87 C ATOM 677 CD2 LEU A 44 -1.709 6.624 6.449 1.00 9.92 C ATOM 678 HA LEU A 44 -2.430 2.486 6.880 1.00 0.00 H ATOM 679 HB2 LEU A 44 -2.153 4.626 8.075 1.00 0.00 H ATOM 680 HB3 LEU A 44 -0.430 4.643 7.633 1.00 0.00 H ATOM 681 HG LEU A 44 -1.038 4.944 5.270 1.00 0.00 H ATOM 682 HD21 LEU A 44 -2.441 6.811 7.235 1.00 0.00 H ATOM 683 HD22 LEU A 44 -0.711 6.865 6.815 1.00 0.00 H ATOM 684 HD23 LEU A 44 -1.939 7.244 5.582 1.00 0.00 H ATOM 685 HD11 LEU A 44 -3.156 3.792 5.237 1.00 0.00 H ATOM 686 HD12 LEU A 44 -3.875 5.061 6.259 1.00 0.00 H ATOM 687 HD13 LEU A 44 -3.306 5.455 4.618 1.00 0.00 H ATOM 688 H LEU A 44 -0.868 2.847 9.303 1.00 0.00 H ATOM 689 N LEU A 45 0.877 2.500 6.469 1.00 10.58 N ATOM 690 CA LEU A 45 1.875 2.034 5.529 1.00 10.84 C ATOM 691 C LEU A 45 1.740 0.535 5.272 1.00 10.17 C ATOM 692 O LEU A 45 1.918 0.107 4.138 1.00 10.96 O ATOM 693 CB LEU A 45 3.311 2.349 5.938 1.00 11.12 C ATOM 694 CG LEU A 45 4.373 1.800 4.966 1.00 11.34 C ATOM 695 CD1 LEU A 45 4.279 2.379 3.591 1.00 13.54 C ATOM 696 CD2 LEU A 45 5.786 2.006 5.579 1.00 11.74 C ATOM 697 HA LEU A 45 1.675 2.589 4.612 1.00 0.00 H ATOM 698 HB2 LEU A 45 3.423 3.432 5.993 1.00 0.00 H ATOM 699 HB3 LEU A 45 3.490 1.916 6.922 1.00 0.00 H ATOM 700 HG LEU A 45 4.182 0.735 4.838 1.00 0.00 H ATOM 701 HD21 LEU A 45 5.957 3.070 5.745 1.00 0.00 H ATOM 702 HD22 LEU A 45 5.850 1.474 6.528 1.00 0.00 H ATOM 703 HD23 LEU A 45 6.539 1.618 4.892 1.00 0.00 H ATOM 704 HD11 LEU A 45 3.300 2.152 3.168 1.00 0.00 H ATOM 705 HD12 LEU A 45 4.411 3.460 3.643 1.00 0.00 H ATOM 706 HD13 LEU A 45 5.057 1.947 2.962 1.00 0.00 H ATOM 707 H LEU A 45 1.163 2.909 7.381 1.00 0.00 H ATOM 708 N ALA A 46 1.440 -0.258 6.307 1.00 10.46 N ATOM 709 CA ALA A 46 1.367 -1.694 6.150 1.00 10.06 C ATOM 710 C ALA A 46 0.240 -2.021 5.183 1.00 9.63 C ATOM 711 O ALA A 46 0.367 -2.883 4.353 1.00 11.35 O ATOM 712 CB ALA A 46 1.163 -2.398 7.474 1.00 9.97 C ATOM 713 HA ALA A 46 2.316 -2.053 5.751 1.00 0.00 H ATOM 714 HB1 ALA A 46 1.996 -2.169 8.138 1.00 0.00 H ATOM 715 HB2 ALA A 46 0.232 -2.056 7.926 1.00 0.00 H ATOM 716 HB3 ALA A 46 1.114 -3.474 7.308 1.00 0.00 H ATOM 717 H ALA A 46 1.256 0.165 7.239 1.00 0.00 H ATOM 718 N CYS A 47 -0.882 -1.331 5.309 1.00 9.94 N ATOM 719 CA CYS A 47 -1.995 -1.529 4.422 1.00 10.78 C ATOM 720 C CYS A 47 -1.569 -1.208 2.984 1.00 10.42 C ATOM 721 O CYS A 47 -1.863 -1.955 2.036 1.00 10.58 O ATOM 722 CB CYS A 47 -3.172 -0.648 4.859 1.00 10.90 C ATOM 723 SG CYS A 47 -4.569 -0.678 3.729 1.00 14.52 S ATOM 724 HA CYS A 47 -2.317 -2.570 4.462 1.00 0.00 H ATOM 725 HB2 CYS A 47 -2.819 0.380 4.940 1.00 0.00 H ATOM 726 HB3 CYS A 47 -3.513 -0.992 5.835 1.00 0.00 H ATOM 727 H CYS A 47 -0.960 -0.627 6.070 1.00 0.00 H ATOM 728 N ALA A 48 -0.918 -0.072 2.801 1.00 10.21 N ATOM 729 CA ALA A 48 -0.501 0.325 1.468 1.00 9.77 C ATOM 730 C ALA A 48 0.557 -0.608 0.837 1.00 10.17 C ATOM 731 O ALA A 48 0.537 -0.821 -0.370 1.00 11.77 O ATOM 732 CB ALA A 48 -0.016 1.750 1.507 1.00 11.26 C ATOM 733 HA ALA A 48 -1.373 0.241 0.819 1.00 0.00 H ATOM 734 HB1 ALA A 48 -0.824 2.398 1.847 1.00 0.00 H ATOM 735 HB2 ALA A 48 0.827 1.827 2.194 1.00 0.00 H ATOM 736 HB3 ALA A 48 0.298 2.053 0.508 1.00 0.00 H ATOM 737 H ALA A 48 -0.704 0.539 3.615 1.00 0.00 H ATOM 738 N LEU A 49 1.473 -1.144 1.634 1.00 10.22 N ATOM 739 CA LEU A 49 2.474 -2.071 1.137 1.00 10.48 C ATOM 740 C LEU A 49 1.825 -3.408 0.807 1.00 9.96 C ATOM 741 O LEU A 49 2.219 -4.060 -0.134 1.00 10.66 O ATOM 742 CB LEU A 49 3.608 -2.271 2.138 1.00 10.46 C ATOM 743 CG LEU A 49 4.504 -1.035 2.302 1.00 9.78 C ATOM 744 CD1 LEU A 49 5.484 -1.337 3.404 1.00 12.51 C ATOM 745 CD2 LEU A 49 5.204 -0.672 0.976 1.00 10.62 C ATOM 746 HA LEU A 49 2.905 -1.642 0.233 1.00 0.00 H ATOM 747 HB2 LEU A 49 3.174 -2.514 3.108 1.00 0.00 H ATOM 748 HB3 LEU A 49 4.225 -3.103 1.799 1.00 0.00 H ATOM 749 HG LEU A 49 3.912 -0.160 2.568 1.00 0.00 H ATOM 750 HD21 LEU A 49 5.822 -1.509 0.652 1.00 0.00 H ATOM 751 HD22 LEU A 49 4.452 -0.458 0.216 1.00 0.00 H ATOM 752 HD23 LEU A 49 5.831 0.207 1.126 1.00 0.00 H ATOM 753 HD11 LEU A 49 4.940 -1.542 4.326 1.00 0.00 H ATOM 754 HD12 LEU A 49 6.079 -2.208 3.131 1.00 0.00 H ATOM 755 HD13 LEU A 49 6.140 -0.479 3.550 1.00 0.00 H ATOM 756 H LEU A 49 1.474 -0.893 2.643 1.00 0.00 H ATOM 757 N ASP A 50 0.791 -3.792 1.541 1.00 10.39 N ATOM 758 CA ASP A 50 -0.004 -4.965 1.118 1.00 11.40 C ATOM 759 C ASP A 50 -0.650 -4.682 -0.240 1.00 12.07 C ATOM 760 O ASP A 50 -0.634 -5.535 -1.148 1.00 12.23 O ATOM 761 CB ASP A 50 -1.052 -5.331 2.166 1.00 11.77 C ATOM 762 CG ASP A 50 -1.902 -6.476 1.748 1.00 16.67 C ATOM 763 OD1 ASP A 50 -1.285 -7.487 1.339 1.00 17.00 O ATOM 764 OD2 ASP A 50 -3.156 -6.424 1.773 1.00 19.42 O ATOM 765 HA ASP A 50 0.660 -5.824 1.019 1.00 0.00 H ATOM 766 HB2 ASP A 50 -0.542 -5.594 3.093 1.00 0.00 H ATOM 767 HB3 ASP A 50 -1.692 -4.465 2.338 1.00 0.00 H ATOM 768 H ASP A 50 0.541 -3.273 2.407 1.00 0.00 H ATOM 769 N LYS A 51 -1.227 -3.499 -0.394 1.00 11.42 N ATOM 770 CA LYS A 51 -1.825 -3.135 -1.662 1.00 12.74 C ATOM 771 C LYS A 51 -0.845 -3.135 -2.838 1.00 11.61 C ATOM 772 O LYS A 51 -1.238 -3.489 -3.958 1.00 12.47 O ATOM 773 CB LYS A 51 -2.508 -1.784 -1.594 1.00 13.91 C ATOM 774 CG LYS A 51 -3.648 -1.741 -0.644 1.00 16.31 C ATOM 775 CD LYS A 51 -4.865 -2.324 -1.122 1.00 20.84 C ATOM 776 CE LYS A 51 -5.998 -1.879 -0.157 1.00 22.77 C ATOM 777 NZ LYS A 51 -7.211 -2.725 -0.296 1.00 22.59 N ATOM 778 HA LYS A 51 -2.561 -3.917 -1.848 1.00 0.00 H ATOM 779 HB2 LYS A 51 -1.773 -1.041 -1.284 1.00 0.00 H ATOM 780 HB3 LYS A 51 -2.878 -1.534 -2.588 1.00 0.00 H ATOM 781 HG2 LYS A 51 -3.353 -2.272 0.261 1.00 0.00 H ATOM 782 HG3 LYS A 51 -3.847 -0.697 -0.403 1.00 0.00 H ATOM 783 HD2 LYS A 51 -5.076 -1.974 -2.132 1.00 0.00 H ATOM 784 HD3 LYS A 51 -4.783 -3.411 -1.126 1.00 0.00 H ATOM 785 HE2 LYS A 51 -6.263 -0.845 -0.377 1.00 0.00 H ATOM 786 HE3 LYS A 51 -5.635 -1.949 0.868 1.00 0.00 H ATOM 787 HZ1 LYS A 51 -7.569 -2.659 -1.270 1.00 0.00 H ATOM 788 HZ2 LYS A 51 -6.969 -3.713 -0.081 1.00 0.00 H ATOM 789 HZ3 LYS A 51 -7.941 -2.393 0.366 1.00 0.00 H ATOM 790 H LYS A 51 -1.251 -2.828 0.400 1.00 0.00 H ATOM 791 N VAL A 52 0.404 -2.734 -2.620 1.00 11.09 N ATOM 792 CA VAL A 52 1.388 -2.636 -3.698 1.00 11.39 C ATOM 793 C VAL A 52 2.001 -3.989 -4.049 1.00 11.78 C ATOM 794 O VAL A 52 2.639 -4.126 -5.084 1.00 12.00 O ATOM 795 CB VAL A 52 2.478 -1.572 -3.419 1.00 11.21 C ATOM 796 CG1 VAL A 52 3.587 -2.123 -2.600 1.00 11.82 C ATOM 797 CG2 VAL A 52 2.994 -0.986 -4.716 1.00 12.19 C ATOM 798 HA VAL A 52 0.836 -2.296 -4.574 1.00 0.00 H ATOM 799 HB VAL A 52 2.020 -0.771 -2.840 1.00 0.00 H ATOM 800 HG11 VAL A 52 3.194 -2.470 -1.645 1.00 0.00 H ATOM 801 HG12 VAL A 52 4.048 -2.957 -3.129 1.00 0.00 H ATOM 802 HG13 VAL A 52 4.330 -1.345 -2.427 1.00 0.00 H ATOM 803 HG21 VAL A 52 3.423 -1.780 -5.327 1.00 0.00 H ATOM 804 HG22 VAL A 52 2.171 -0.516 -5.254 1.00 0.00 H ATOM 805 HG23 VAL A 52 3.759 -0.241 -4.498 1.00 0.00 H ATOM 806 H VAL A 52 0.690 -2.482 -1.652 1.00 0.00 H ATOM 807 N GLY A 53 1.755 -4.981 -3.203 1.00 11.59 N ATOM 808 CA GLY A 53 2.160 -6.355 -3.444 1.00 10.75 C ATOM 809 C GLY A 53 3.346 -6.894 -2.668 1.00 11.58 C ATOM 810 O GLY A 53 3.916 -7.912 -3.076 1.00 11.83 O ATOM 811 HA3 GLY A 53 2.399 -6.442 -4.504 1.00 0.00 H ATOM 812 HA2 GLY A 53 1.305 -6.991 -3.213 1.00 0.00 H ATOM 813 H GLY A 53 1.246 -4.764 -2.322 1.00 0.00 H ATOM 814 N LEU A 54 3.754 -6.205 -1.605 1.00 10.76 N ATOM 815 CA LEU A 54 4.946 -6.549 -0.854 1.00 11.15 C ATOM 816 C LEU A 54 4.708 -7.588 0.207 1.00 10.88 C ATOM 817 O LEU A 54 5.658 -8.129 0.711 1.00 9.97 O ATOM 818 CB LEU A 54 5.578 -5.305 -0.211 1.00 11.24 C ATOM 819 CG LEU A 54 6.991 -5.474 0.369 1.00 13.17 C ATOM 820 CD1 LEU A 54 7.986 -5.992 -0.604 1.00 14.60 C ATOM 821 CD2 LEU A 54 7.412 -4.158 0.960 1.00 15.74 C ATOM 822 HA LEU A 54 5.632 -6.978 -1.585 1.00 0.00 H ATOM 823 HB2 LEU A 54 5.623 -4.526 -0.972 1.00 0.00 H ATOM 824 HB3 LEU A 54 4.924 -4.982 0.599 1.00 0.00 H ATOM 825 HG LEU A 54 6.954 -6.243 1.141 1.00 0.00 H ATOM 826 HD21 LEU A 54 7.413 -3.395 0.181 1.00 0.00 H ATOM 827 HD22 LEU A 54 6.713 -3.874 1.747 1.00 0.00 H ATOM 828 HD23 LEU A 54 8.414 -4.253 1.379 1.00 0.00 H ATOM 829 HD11 LEU A 54 7.666 -6.970 -0.963 1.00 0.00 H ATOM 830 HD12 LEU A 54 8.063 -5.302 -1.445 1.00 0.00 H ATOM 831 HD13 LEU A 54 8.957 -6.082 -0.116 1.00 0.00 H ATOM 832 H LEU A 54 3.193 -5.384 -1.300 1.00 0.00 H ATOM 833 N ILE A 55 3.453 -7.861 0.543 1.00 11.66 N ATOM 834 CA ILE A 55 3.157 -8.748 1.671 1.00 12.14 C ATOM 835 C ILE A 55 2.510 -10.045 1.197 1.00 11.80 C ATOM 836 O ILE A 55 1.516 -10.023 0.490 1.00 12.25 O ATOM 837 CB ILE A 55 2.205 -8.051 2.687 1.00 12.91 C ATOM 838 CG1 ILE A 55 2.739 -6.633 2.972 1.00 13.97 C ATOM 839 CG2 ILE A 55 2.000 -8.949 3.910 1.00 14.96 C ATOM 840 CD1 ILE A 55 2.716 -6.129 4.428 1.00 14.01 C ATOM 841 HA ILE A 55 4.105 -8.978 2.158 1.00 0.00 H ATOM 842 HB ILE A 55 1.202 -7.912 2.284 1.00 0.00 H ATOM 843 HG12 ILE A 55 3.775 -6.603 2.635 1.00 0.00 H ATOM 844 HG13 ILE A 55 2.145 -5.938 2.379 1.00 0.00 H ATOM 845 HD11 ILE A 55 1.689 -6.124 4.793 1.00 0.00 H ATOM 846 HD12 ILE A 55 3.321 -6.790 5.049 1.00 0.00 H ATOM 847 HD13 ILE A 55 3.122 -5.118 4.468 1.00 0.00 H ATOM 848 HG21 ILE A 55 1.560 -9.895 3.595 1.00 0.00 H ATOM 849 HG22 ILE A 55 2.962 -9.136 4.388 1.00 0.00 H ATOM 850 HG23 ILE A 55 1.333 -8.453 4.615 1.00 0.00 H ATOM 851 H ILE A 55 2.672 -7.441 -0.000 1.00 0.00 H ATOM 852 N SER A 56 3.093 -11.158 1.627 1.00 12.56 N ATOM 853 CA SER A 56 2.656 -12.462 1.194 1.00 12.95 C ATOM 854 C SER A 56 1.369 -12.886 1.894 1.00 13.25 C ATOM 855 O SER A 56 0.915 -12.257 2.861 1.00 13.38 O ATOM 856 CB SER A 56 3.774 -13.468 1.473 1.00 13.09 C ATOM 857 OG SER A 56 3.670 -13.891 2.831 1.00 12.98 O ATOM 858 HA SER A 56 2.440 -12.427 0.126 1.00 0.00 H ATOM 859 HB2 SER A 56 4.743 -12.997 1.307 1.00 0.00 H ATOM 860 HB3 SER A 56 3.670 -14.327 0.810 1.00 0.00 H ATOM 861 HG SER A 56 2.788 -14.315 2.977 1.00 0.00 H ATOM 862 H SER A 56 3.887 -11.087 2.295 1.00 0.00 H ATOM 863 N PRO A 57 0.717 -13.934 1.396 1.00 13.31 N ATOM 864 CA PRO A 57 -0.519 -14.396 2.028 1.00 14.55 C ATOM 865 C PRO A 57 -0.347 -14.746 3.509 1.00 15.63 C ATOM 866 O PRO A 57 -1.288 -14.509 4.265 1.00 16.66 O ATOM 867 CB PRO A 57 -0.874 -15.644 1.198 1.00 14.66 C ATOM 868 CG PRO A 57 -0.256 -15.334 -0.140 1.00 13.96 C ATOM 869 CD PRO A 57 1.019 -14.673 0.148 1.00 13.97 C ATOM 870 HA PRO A 57 -1.292 -13.627 2.032 1.00 0.00 H ATOM 871 HD3 PRO A 57 1.815 -15.401 0.303 1.00 0.00 H ATOM 872 HD2 PRO A 57 1.302 -13.993 -0.655 1.00 0.00 H ATOM 873 HG3 PRO A 57 -0.905 -14.672 -0.713 1.00 0.00 H ATOM 874 HG2 PRO A 57 -0.088 -16.253 -0.702 1.00 0.00 H ATOM 875 HB2 PRO A 57 -0.439 -16.544 1.634 1.00 0.00 H ATOM 876 HB3 PRO A 57 -1.954 -15.767 1.114 1.00 0.00 H ATOM 877 N GLU A 58 0.842 -15.168 3.924 1.00 17.65 N ATOM 878 CA GLU A 58 1.049 -15.507 5.330 1.00 19.11 C ATOM 879 C GLU A 58 1.575 -14.332 6.143 1.00 19.63 C ATOM 880 O GLU A 58 1.942 -14.461 7.331 1.00 20.55 O ATOM 881 CB GLU A 58 1.810 -16.843 5.515 1.00 20.96 C ATOM 882 CG GLU A 58 3.079 -17.167 4.745 1.00 21.70 C ATOM 883 CD GLU A 58 2.886 -17.552 3.285 1.00 21.50 C ATOM 884 OE1 GLU A 58 2.909 -16.605 2.485 1.00 20.72 O ATOM 885 OE2 GLU A 58 2.788 -18.756 2.906 1.00 18.66 O ATOM 886 HA GLU A 58 0.070 -15.706 5.765 1.00 0.00 H ATOM 887 HB2 GLU A 58 2.072 -16.900 6.571 1.00 0.00 H ATOM 888 HB3 GLU A 58 1.099 -17.634 5.276 1.00 0.00 H ATOM 889 HG2 GLU A 58 3.724 -16.289 4.777 1.00 0.00 H ATOM 890 HG3 GLU A 58 3.573 -17.998 5.248 1.00 0.00 H ATOM 891 H GLU A 58 1.627 -15.257 3.247 1.00 0.00 H ATOM 892 N GLY A 59 1.592 -13.162 5.492 1.00 18.42 N ATOM 893 CA GLY A 59 1.837 -11.901 6.167 1.00 18.47 C ATOM 894 C GLY A 59 3.295 -11.570 6.328 1.00 18.66 C ATOM 895 O GLY A 59 3.664 -10.810 7.252 1.00 21.05 O ATOM 896 HA3 GLY A 59 1.384 -11.948 7.157 1.00 0.00 H ATOM 897 HA2 GLY A 59 1.366 -11.105 5.590 1.00 0.00 H ATOM 898 H GLY A 59 1.424 -13.157 4.466 1.00 0.00 H ATOM 899 N ALA A 60 4.125 -12.127 5.460 1.00 16.94 N ATOM 900 CA ALA A 60 5.557 -11.854 5.451 1.00 16.50 C ATOM 901 C ALA A 60 5.906 -10.878 4.342 1.00 15.66 C ATOM 902 O ALA A 60 5.200 -10.772 3.350 1.00 15.20 O ATOM 903 CB ALA A 60 6.333 -13.093 5.271 1.00 16.41 C ATOM 904 HA ALA A 60 5.814 -11.415 6.415 1.00 0.00 H ATOM 905 HB1 ALA A 60 6.114 -13.779 6.089 1.00 0.00 H ATOM 906 HB2 ALA A 60 6.060 -13.557 4.323 1.00 0.00 H ATOM 907 HB3 ALA A 60 7.397 -12.857 5.269 1.00 0.00 H ATOM 908 H ALA A 60 3.739 -12.787 4.755 1.00 0.00 H ATOM 909 N ILE A 61 7.034 -10.198 4.512 1.00 14.48 N ATOM 910 CA ILE A 61 7.555 -9.324 3.468 1.00 13.90 C ATOM 911 C ILE A 61 8.253 -10.175 2.419 1.00 13.16 C ATOM 912 O ILE A 61 9.102 -11.027 2.742 1.00 13.39 O ATOM 913 CB ILE A 61 8.549 -8.304 4.058 1.00 13.65 C ATOM 914 CG1 ILE A 61 7.828 -7.411 5.087 1.00 16.70 C ATOM 915 CG2 ILE A 61 9.125 -7.396 2.961 1.00 13.59 C ATOM 916 CD1 ILE A 61 8.710 -6.744 5.971 1.00 16.20 C ATOM 917 HA ILE A 61 6.730 -8.774 3.016 1.00 0.00 H ATOM 918 HB ILE A 61 9.358 -8.862 4.529 1.00 0.00 H ATOM 919 HG12 ILE A 61 7.248 -6.662 4.548 1.00 0.00 H ATOM 920 HG13 ILE A 61 7.156 -8.035 5.676 1.00 0.00 H ATOM 921 HD11 ILE A 61 9.291 -7.480 6.527 1.00 0.00 H ATOM 922 HD12 ILE A 61 9.383 -6.106 5.398 1.00 0.00 H ATOM 923 HD13 ILE A 61 8.133 -6.134 6.667 1.00 0.00 H ATOM 924 HG21 ILE A 61 9.647 -8.006 2.223 1.00 0.00 H ATOM 925 HG22 ILE A 61 8.313 -6.853 2.477 1.00 0.00 H ATOM 926 HG23 ILE A 61 9.823 -6.687 3.407 1.00 0.00 H ATOM 927 H ILE A 61 7.556 -10.291 5.407 1.00 0.00 H ATOM 928 N TYR A 62 7.861 -9.981 1.157 1.00 12.71 N ATOM 929 CA TYR A 62 8.464 -10.717 0.056 1.00 12.12 C ATOM 930 C TYR A 62 9.954 -10.468 -0.063 1.00 13.43 C ATOM 931 O TYR A 62 10.424 -9.357 0.157 1.00 13.96 O ATOM 932 CB TYR A 62 7.778 -10.414 -1.275 1.00 11.97 C ATOM 933 CG TYR A 62 6.508 -11.192 -1.492 1.00 10.63 C ATOM 934 CD1 TYR A 62 6.508 -12.571 -1.503 1.00 12.43 C ATOM 935 CD2 TYR A 62 5.322 -10.541 -1.794 1.00 9.18 C ATOM 936 CE1 TYR A 62 5.341 -13.271 -1.713 1.00 11.22 C ATOM 937 CE2 TYR A 62 4.138 -11.228 -2.016 1.00 11.02 C ATOM 938 CZ TYR A 62 4.172 -12.596 -2.022 1.00 12.13 C ATOM 939 OH TYR A 62 3.019 -13.287 -2.233 1.00 11.49 O ATOM 940 HA TYR A 62 8.318 -11.771 0.291 1.00 0.00 H ATOM 941 HB3 TYR A 62 8.471 -10.653 -2.082 1.00 0.00 H ATOM 942 HB2 TYR A 62 7.540 -9.351 -1.306 1.00 0.00 H ATOM 943 HD2 TYR A 62 5.320 -9.453 -1.859 1.00 0.00 H ATOM 944 HE2 TYR A 62 3.204 -10.692 -2.182 1.00 0.00 H ATOM 945 HE1 TYR A 62 5.337 -14.358 -1.636 1.00 0.00 H ATOM 946 HD1 TYR A 62 7.441 -13.112 -1.344 1.00 0.00 H ATOM 947 HH TYR A 62 3.208 -14.258 -2.208 1.00 0.00 H ATOM 948 H TYR A 62 7.110 -9.290 0.957 1.00 0.00 H ATOM 949 N THR A 63 10.665 -11.497 -0.489 1.00 14.02 N ATOM 950 CA THR A 63 12.095 -11.428 -0.713 1.00 14.50 C ATOM 951 C THR A 63 12.435 -11.898 -2.107 1.00 13.93 C ATOM 952 O THR A 63 11.603 -12.464 -2.814 1.00 12.79 O ATOM 953 CB THR A 63 12.826 -12.274 0.316 1.00 15.50 C ATOM 954 OG1 THR A 63 12.392 -13.652 0.252 1.00 15.57 O ATOM 955 CG2 THR A 63 12.515 -11.773 1.753 1.00 17.00 C ATOM 956 HA THR A 63 12.413 -10.391 -0.609 1.00 0.00 H ATOM 957 HB THR A 63 13.890 -12.194 0.095 1.00 0.00 H ATOM 958 HG1 THR A 63 11.420 -13.699 0.433 1.00 0.00 H ATOM 959 HG23 THR A 63 12.827 -10.733 1.849 1.00 0.00 H ATOM 960 HG21 THR A 63 11.444 -11.851 1.940 1.00 0.00 H ATOM 961 HG22 THR A 63 13.057 -12.384 2.475 1.00 0.00 H ATOM 962 H THR A 63 10.176 -12.397 -0.672 1.00 0.00 H ATOM 963 N GLY A 64 13.666 -11.638 -2.514 1.00 13.29 N ATOM 964 CA GLY A 64 14.195 -12.141 -3.763 1.00 13.64 C ATOM 965 C GLY A 64 13.365 -11.715 -4.945 1.00 13.53 C ATOM 966 O GLY A 64 12.974 -10.551 -5.081 1.00 12.52 O ATOM 967 HA3 GLY A 64 14.216 -13.230 -3.723 1.00 0.00 H ATOM 968 HA2 GLY A 64 15.210 -11.764 -3.892 1.00 0.00 H ATOM 969 H GLY A 64 14.277 -11.049 -1.913 1.00 0.00 H ATOM 970 N ASP A 65 13.029 -12.665 -5.811 1.00 13.17 N ATOM 971 CA ASP A 65 12.335 -12.312 -7.028 1.00 13.58 C ATOM 972 C ASP A 65 10.968 -11.696 -6.768 1.00 12.77 C ATOM 973 O ASP A 65 10.505 -10.922 -7.554 1.00 13.37 O ATOM 974 CB ASP A 65 12.107 -13.530 -7.938 1.00 13.86 C ATOM 975 CG ASP A 65 13.368 -14.103 -8.489 1.00 17.58 C ATOM 976 OD1 ASP A 65 14.423 -13.412 -8.479 1.00 17.15 O ATOM 977 OD2 ASP A 65 13.390 -15.270 -8.977 1.00 17.01 O ATOM 978 HA ASP A 65 12.987 -11.585 -7.513 1.00 0.00 H ATOM 979 HB2 ASP A 65 11.600 -14.303 -7.360 1.00 0.00 H ATOM 980 HB3 ASP A 65 11.473 -13.225 -8.771 1.00 0.00 H ATOM 981 H ASP A 65 13.265 -13.659 -5.614 1.00 0.00 H ATOM 982 N ASP A 66 10.330 -12.053 -5.658 1.00 13.40 N ATOM 983 CA ASP A 66 8.989 -11.560 -5.359 1.00 13.24 C ATOM 984 C ASP A 66 9.002 -10.098 -4.918 1.00 13.55 C ATOM 985 O ASP A 66 7.990 -9.422 -4.954 1.00 14.00 O ATOM 986 CB ASP A 66 8.335 -12.444 -4.299 1.00 13.29 C ATOM 987 CG ASP A 66 8.096 -13.836 -4.807 1.00 16.05 C ATOM 988 OD1 ASP A 66 7.466 -13.906 -5.884 1.00 18.25 O ATOM 989 OD2 ASP A 66 8.482 -14.873 -4.221 1.00 17.82 O ATOM 990 HA ASP A 66 8.401 -11.608 -6.276 1.00 0.00 H ATOM 991 HB2 ASP A 66 8.988 -12.493 -3.428 1.00 0.00 H ATOM 992 HB3 ASP A 66 7.380 -12.004 -4.012 1.00 0.00 H ATOM 993 H ASP A 66 10.796 -12.697 -4.988 1.00 0.00 H ATOM 994 N LEU A 67 10.170 -9.611 -4.505 1.00 13.40 N ATOM 995 CA LEU A 67 10.361 -8.194 -4.194 1.00 13.93 C ATOM 996 C LEU A 67 10.476 -7.337 -5.460 1.00 12.61 C ATOM 997 O LEU A 67 10.216 -6.147 -5.436 1.00 12.52 O ATOM 998 CB LEU A 67 11.648 -8.074 -3.341 1.00 14.49 C ATOM 999 CG LEU A 67 12.163 -6.721 -2.945 1.00 20.05 C ATOM 1000 CD1 LEU A 67 11.084 -5.986 -2.188 1.00 21.96 C ATOM 1001 CD2 LEU A 67 13.402 -6.893 -2.082 1.00 22.55 C ATOM 1002 HA LEU A 67 9.493 -7.823 -3.649 1.00 0.00 H ATOM 1003 HB2 LEU A 67 11.466 -8.624 -2.418 1.00 0.00 H ATOM 1004 HB3 LEU A 67 12.445 -8.562 -3.903 1.00 0.00 H ATOM 1005 HG LEU A 67 12.429 -6.142 -3.829 1.00 0.00 H ATOM 1006 HD21 LEU A 67 13.145 -7.464 -1.190 1.00 0.00 H ATOM 1007 HD22 LEU A 67 14.166 -7.426 -2.648 1.00 0.00 H ATOM 1008 HD23 LEU A 67 13.780 -5.913 -1.792 1.00 0.00 H ATOM 1009 HD11 LEU A 67 10.207 -5.874 -2.825 1.00 0.00 H ATOM 1010 HD12 LEU A 67 10.817 -6.553 -1.296 1.00 0.00 H ATOM 1011 HD13 LEU A 67 11.452 -5.002 -1.897 1.00 0.00 H ATOM 1012 H LEU A 67 10.975 -10.261 -4.400 1.00 0.00 H ATOM 1013 N MET A 68 10.884 -7.935 -6.574 1.00 11.91 N ATOM 1014 CA MET A 68 11.231 -7.124 -7.739 1.00 12.09 C ATOM 1015 C MET A 68 10.093 -6.295 -8.351 1.00 11.75 C ATOM 1016 O MET A 68 10.312 -5.156 -8.733 1.00 13.11 O ATOM 1017 CB MET A 68 11.919 -7.971 -8.794 1.00 12.58 C ATOM 1018 CG MET A 68 13.251 -8.522 -8.336 1.00 14.09 C ATOM 1019 SD MET A 68 14.446 -7.299 -7.700 1.00 14.59 S ATOM 1020 CE MET A 68 14.847 -6.575 -9.142 1.00 14.30 C ATOM 1021 HA MET A 68 11.919 -6.373 -7.351 1.00 0.00 H ATOM 1022 HB2 MET A 68 11.267 -8.806 -9.048 1.00 0.00 H ATOM 1023 HB3 MET A 68 12.083 -7.357 -9.680 1.00 0.00 H ATOM 1024 HG2 MET A 68 13.712 -9.029 -9.184 1.00 0.00 H ATOM 1025 HG3 MET A 68 13.058 -9.244 -7.543 1.00 0.00 H ATOM 1026 HE1 MET A 68 15.272 -7.319 -9.815 1.00 0.00 H ATOM 1027 HE2 MET A 68 13.952 -6.145 -9.592 1.00 0.00 H ATOM 1028 HE3 MET A 68 15.578 -5.787 -8.961 1.00 0.00 H ATOM 1029 H MET A 68 10.956 -8.972 -6.617 1.00 0.00 H ATOM 1030 N PRO A 69 8.897 -6.844 -8.503 1.00 11.98 N ATOM 1031 CA PRO A 69 7.799 -6.042 -9.056 1.00 12.64 C ATOM 1032 C PRO A 69 7.512 -4.839 -8.204 1.00 11.68 C ATOM 1033 O PRO A 69 7.242 -3.772 -8.732 1.00 12.44 O ATOM 1034 CB PRO A 69 6.612 -7.013 -9.065 1.00 13.08 C ATOM 1035 CG PRO A 69 7.216 -8.320 -9.084 1.00 13.99 C ATOM 1036 CD PRO A 69 8.508 -8.253 -8.308 1.00 13.02 C ATOM 1037 HA PRO A 69 8.028 -5.643 -10.044 1.00 0.00 H ATOM 1038 HD3 PRO A 69 8.352 -8.481 -7.254 1.00 0.00 H ATOM 1039 HD2 PRO A 69 9.255 -8.933 -8.718 1.00 0.00 H ATOM 1040 HG3 PRO A 69 7.418 -8.619 -10.113 1.00 0.00 H ATOM 1041 HG2 PRO A 69 6.545 -9.044 -8.622 1.00 0.00 H ATOM 1042 HB2 PRO A 69 6.001 -6.883 -8.172 1.00 0.00 H ATOM 1043 HB3 PRO A 69 5.995 -6.860 -9.951 1.00 0.00 H ATOM 1044 N VAL A 70 7.624 -4.991 -6.891 1.00 10.34 N ATOM 1045 CA VAL A 70 7.418 -3.863 -6.012 1.00 11.11 C ATOM 1046 C VAL A 70 8.505 -2.802 -6.220 1.00 10.86 C ATOM 1047 O VAL A 70 8.241 -1.610 -6.271 1.00 11.66 O ATOM 1048 CB VAL A 70 7.395 -4.301 -4.529 1.00 10.93 C ATOM 1049 CG1 VAL A 70 7.318 -3.053 -3.631 1.00 13.08 C ATOM 1050 CG2 VAL A 70 6.233 -5.227 -4.269 1.00 13.52 C ATOM 1051 HA VAL A 70 6.448 -3.432 -6.261 1.00 0.00 H ATOM 1052 HB VAL A 70 8.310 -4.846 -4.298 1.00 0.00 H ATOM 1053 HG11 VAL A 70 8.188 -2.422 -3.812 1.00 0.00 H ATOM 1054 HG12 VAL A 70 6.410 -2.496 -3.862 1.00 0.00 H ATOM 1055 HG13 VAL A 70 7.302 -3.360 -2.585 1.00 0.00 H ATOM 1056 HG21 VAL A 70 5.301 -4.712 -4.501 1.00 0.00 H ATOM 1057 HG22 VAL A 70 6.327 -6.112 -4.899 1.00 0.00 H ATOM 1058 HG23 VAL A 70 6.234 -5.524 -3.220 1.00 0.00 H ATOM 1059 H VAL A 70 7.860 -5.923 -6.494 1.00 0.00 H ATOM 1060 N MET A 71 9.765 -3.225 -6.282 1.00 10.81 N ATOM 1061 CA MET A 71 10.830 -2.257 -6.523 1.00 10.66 C ATOM 1062 C MET A 71 10.674 -1.547 -7.872 1.00 10.77 C ATOM 1063 O MET A 71 10.948 -0.349 -7.955 1.00 13.06 O ATOM 1064 CB MET A 71 12.226 -2.889 -6.401 1.00 10.87 C ATOM 1065 CG MET A 71 12.543 -3.433 -5.059 1.00 12.14 C ATOM 1066 SD MET A 71 12.593 -2.222 -3.751 1.00 16.21 S ATOM 1067 CE MET A 71 13.898 -1.190 -4.212 1.00 19.77 C ATOM 1068 HA MET A 71 10.736 -1.504 -5.740 1.00 0.00 H ATOM 1069 HB2 MET A 71 12.295 -3.703 -7.123 1.00 0.00 H ATOM 1070 HB3 MET A 71 12.967 -2.127 -6.643 1.00 0.00 H ATOM 1071 HG2 MET A 71 13.519 -3.916 -5.111 1.00 0.00 H ATOM 1072 HG3 MET A 71 11.785 -4.174 -4.806 1.00 0.00 H ATOM 1073 HE1 MET A 71 14.816 -1.774 -4.274 1.00 0.00 H ATOM 1074 HE2 MET A 71 13.682 -0.745 -5.183 1.00 0.00 H ATOM 1075 HE3 MET A 71 14.017 -0.402 -3.468 1.00 0.00 H ATOM 1076 H MET A 71 9.988 -4.233 -6.160 1.00 0.00 H ATOM 1077 N ASN A 72 10.253 -2.270 -8.897 1.00 11.63 N ATOM 1078 CA ASN A 72 10.025 -1.680 -10.221 1.00 12.33 C ATOM 1079 C ASN A 72 8.827 -0.712 -10.217 1.00 13.23 C ATOM 1080 O ASN A 72 8.850 0.339 -10.873 1.00 15.35 O ATOM 1081 CB ASN A 72 9.854 -2.774 -11.272 1.00 11.74 C ATOM 1082 CG ASN A 72 11.170 -3.408 -11.665 1.00 14.01 C ATOM 1083 OD1 ASN A 72 12.102 -2.700 -12.010 1.00 18.97 O ATOM 1084 ND2 ASN A 72 11.240 -4.722 -11.636 1.00 14.96 N ATOM 1085 HA ASN A 72 10.906 -1.092 -10.481 1.00 0.00 H ATOM 1086 HB2 ASN A 72 9.199 -3.547 -10.870 1.00 0.00 H ATOM 1087 HB3 ASN A 72 9.396 -2.338 -12.160 1.00 0.00 H ATOM 1088 HD22 ASN A 72 10.416 -5.280 -11.334 1.00 0.00 H ATOM 1089 HD21 ASN A 72 12.119 -5.202 -11.915 1.00 0.00 H ATOM 1090 H ASN A 72 10.079 -3.286 -8.760 1.00 0.00 H ATOM 1091 N ARG A 73 7.815 -1.016 -9.418 1.00 13.14 N ATOM 1092 CA ARG A 73 6.656 -0.134 -9.279 1.00 15.35 C ATOM 1093 C ARG A 73 7.016 1.160 -8.542 1.00 14.72 C ATOM 1094 O ARG A 73 6.647 2.253 -8.959 1.00 15.14 O ATOM 1095 CB ARG A 73 5.564 -0.895 -8.539 1.00 16.36 C ATOM 1096 CG ARG A 73 4.344 -0.190 -8.311 1.00 21.41 C ATOM 1097 CD ARG A 73 3.215 -0.766 -9.127 1.00 23.81 C ATOM 1098 NE ARG A 73 2.666 0.387 -9.760 1.00 24.79 N ATOM 1099 CZ ARG A 73 1.889 1.223 -9.155 1.00 23.50 C ATOM 1100 NH1 ARG A 73 1.523 1.000 -7.903 1.00 26.16 N ATOM 1101 NH2 ARG A 73 1.476 2.286 -9.790 1.00 28.52 N ATOM 1102 HA ARG A 73 6.304 0.159 -10.268 1.00 0.00 H ATOM 1103 HB2 ARG A 73 5.329 -1.787 -9.120 1.00 0.00 H ATOM 1104 HB3 ARG A 73 5.964 -1.190 -7.569 1.00 0.00 H ATOM 1105 HG2 ARG A 73 4.088 -0.257 -7.254 1.00 0.00 H ATOM 1106 HG3 ARG A 73 4.482 0.856 -8.585 1.00 0.00 H ATOM 1107 HD2 ARG A 73 2.477 -1.253 -8.489 1.00 0.00 H ATOM 1108 HD3 ARG A 73 3.586 -1.480 -9.863 1.00 0.00 H ATOM 1109 HE ARG A 73 2.902 0.564 -10.757 1.00 0.00 H ATOM 1110 HH12 ARG A 73 0.897 1.673 -7.416 1.00 0.00 H ATOM 1111 HH11 ARG A 73 1.861 0.151 -7.406 1.00 0.00 H ATOM 1112 HH22 ARG A 73 0.850 2.966 -9.313 1.00 0.00 H ATOM 1113 HH21 ARG A 73 1.773 2.453 -10.773 1.00 0.00 H ATOM 1114 H ARG A 73 7.845 -1.903 -8.876 1.00 0.00 H ATOM 1115 N LEU A 74 7.770 1.053 -7.474 1.00 13.13 N ATOM 1116 CA LEU A 74 8.065 2.183 -6.586 1.00 13.57 C ATOM 1117 C LEU A 74 9.164 3.097 -7.109 1.00 14.32 C ATOM 1118 O LEU A 74 9.119 4.304 -6.910 1.00 14.27 O ATOM 1119 CB LEU A 74 8.529 1.648 -5.223 1.00 14.40 C ATOM 1120 CG LEU A 74 7.485 0.918 -4.398 1.00 18.22 C ATOM 1121 CD1 LEU A 74 8.112 0.564 -3.044 1.00 18.28 C ATOM 1122 CD2 LEU A 74 6.224 1.691 -4.266 1.00 21.18 C ATOM 1123 HA LEU A 74 7.144 2.762 -6.517 1.00 0.00 H ATOM 1124 HB2 LEU A 74 9.355 0.959 -5.400 1.00 0.00 H ATOM 1125 HB3 LEU A 74 8.884 2.495 -4.636 1.00 0.00 H ATOM 1126 HG LEU A 74 7.190 0.001 -4.908 1.00 0.00 H ATOM 1127 HD21 LEU A 74 6.433 2.643 -3.779 1.00 0.00 H ATOM 1128 HD22 LEU A 74 5.805 1.872 -5.256 1.00 0.00 H ATOM 1129 HD23 LEU A 74 5.512 1.123 -3.667 1.00 0.00 H ATOM 1130 HD11 LEU A 74 8.981 -0.075 -3.203 1.00 0.00 H ATOM 1131 HD12 LEU A 74 8.420 1.479 -2.538 1.00 0.00 H ATOM 1132 HD13 LEU A 74 7.379 0.038 -2.432 1.00 0.00 H ATOM 1133 H LEU A 74 8.178 0.124 -7.246 1.00 0.00 H ATOM 1134 N TYR A 75 10.195 2.487 -7.680 1.00 14.55 N ATOM 1135 CA TYR A 75 11.433 3.176 -8.038 1.00 15.02 C ATOM 1136 C TYR A 75 11.918 2.950 -9.436 1.00 15.40 C ATOM 1137 O TYR A 75 12.446 3.869 -10.056 1.00 16.65 O ATOM 1138 CB TYR A 75 12.568 2.793 -7.096 1.00 15.36 C ATOM 1139 CG TYR A 75 12.254 2.906 -5.645 1.00 15.99 C ATOM 1140 CD1 TYR A 75 12.144 1.755 -4.866 1.00 18.16 C ATOM 1141 CD2 TYR A 75 12.055 4.144 -5.034 1.00 19.69 C ATOM 1142 CE1 TYR A 75 11.846 1.828 -3.529 1.00 20.00 C ATOM 1143 CE2 TYR A 75 11.755 4.221 -3.665 1.00 21.26 C ATOM 1144 CZ TYR A 75 11.667 3.053 -2.940 1.00 21.33 C ATOM 1145 OH TYR A 75 11.361 3.110 -1.619 1.00 27.55 O ATOM 1146 HA TYR A 75 11.166 4.229 -7.953 1.00 0.00 H ATOM 1147 HB3 TYR A 75 13.417 3.443 -7.309 1.00 0.00 H ATOM 1148 HB2 TYR A 75 12.843 1.759 -7.302 1.00 0.00 H ATOM 1149 HD2 TYR A 75 12.133 5.058 -5.623 1.00 0.00 H ATOM 1150 HE2 TYR A 75 11.595 5.186 -3.185 1.00 0.00 H ATOM 1151 HE1 TYR A 75 11.752 0.917 -2.938 1.00 0.00 H ATOM 1152 HD1 TYR A 75 12.298 0.780 -5.328 1.00 0.00 H ATOM 1153 HH TYR A 75 11.337 2.193 -1.247 1.00 0.00 H ATOM 1154 H TYR A 75 10.118 1.470 -7.882 1.00 0.00 H ATOM 1155 N GLY A 76 11.809 1.722 -9.932 1.00 14.84 N ATOM 1156 CA GLY A 76 12.571 1.308 -11.093 1.00 16.03 C ATOM 1157 C GLY A 76 14.070 1.320 -10.810 1.00 16.20 C ATOM 1158 O GLY A 76 14.512 1.692 -9.723 1.00 16.02 O ATOM 1159 HA3 GLY A 76 12.360 1.990 -11.917 1.00 0.00 H ATOM 1160 HA2 GLY A 76 12.271 0.298 -11.373 1.00 0.00 H ATOM 1161 H GLY A 76 11.164 1.044 -9.478 1.00 0.00 H ATOM 1162 N PHE A 77 14.846 0.940 -11.807 1.00 16.02 N ATOM 1163 CA PHE A 77 16.277 0.778 -11.649 1.00 15.53 C ATOM 1164 C PHE A 77 17.049 1.634 -12.624 1.00 16.06 C ATOM 1165 O PHE A 77 17.967 1.169 -13.290 1.00 16.32 O ATOM 1166 CB PHE A 77 16.655 -0.708 -11.770 1.00 15.96 C ATOM 1167 CG PHE A 77 16.217 -1.517 -10.600 1.00 13.36 C ATOM 1168 CD1 PHE A 77 14.968 -2.083 -10.583 1.00 13.31 C ATOM 1169 CD2 PHE A 77 17.050 -1.693 -9.513 1.00 13.86 C ATOM 1170 CE1 PHE A 77 14.531 -2.808 -9.473 1.00 13.24 C ATOM 1171 CE2 PHE A 77 16.647 -2.409 -8.411 1.00 13.29 C ATOM 1172 CZ PHE A 77 15.419 -2.986 -8.375 1.00 12.37 C ATOM 1173 HA PHE A 77 16.553 1.122 -10.652 1.00 0.00 H ATOM 1174 HB2 PHE A 77 16.188 -1.114 -12.667 1.00 0.00 H ATOM 1175 HB3 PHE A 77 17.739 -0.785 -11.860 1.00 0.00 H ATOM 1176 HD2 PHE A 77 18.048 -1.255 -9.529 1.00 0.00 H ATOM 1177 HE2 PHE A 77 17.319 -2.514 -7.559 1.00 0.00 H ATOM 1178 HZ PHE A 77 15.116 -3.580 -7.513 1.00 0.00 H ATOM 1179 HE1 PHE A 77 13.527 -3.231 -9.448 1.00 0.00 H ATOM 1180 HD1 PHE A 77 14.310 -1.966 -11.444 1.00 0.00 H ATOM 1181 H PHE A 77 14.417 0.751 -12.735 1.00 0.00 H ATOM 1182 N ASN A 78 16.737 2.920 -12.662 1.00 16.55 N ATOM 1183 CA ASN A 78 17.599 3.853 -13.375 1.00 17.62 C ATOM 1184 C ASN A 78 18.790 4.326 -12.541 1.00 17.38 C ATOM 1185 O ASN A 78 19.791 4.757 -13.100 1.00 17.71 O ATOM 1186 CB ASN A 78 16.814 5.059 -13.883 1.00 18.53 C ATOM 1187 CG ASN A 78 15.845 4.694 -15.006 1.00 23.87 C ATOM 1188 OD1 ASN A 78 15.847 3.554 -15.512 1.00 29.68 O ATOM 1189 ND2 ASN A 78 15.019 5.656 -15.406 1.00 28.04 N ATOM 1190 HA ASN A 78 17.995 3.297 -14.225 1.00 0.00 H ATOM 1191 HB2 ASN A 78 16.246 5.481 -13.054 1.00 0.00 H ATOM 1192 HB3 ASN A 78 17.518 5.803 -14.256 1.00 0.00 H ATOM 1193 HD22 ASN A 78 15.053 6.592 -14.954 1.00 0.00 H ATOM 1194 HD21 ASN A 78 14.338 5.472 -16.171 1.00 0.00 H ATOM 1195 H ASN A 78 15.879 3.263 -12.184 1.00 0.00 H ATOM 1196 N ASP A 79 18.684 4.258 -11.217 1.00 16.32 N ATOM 1197 CA ASP A 79 19.740 4.744 -10.323 1.00 16.45 C ATOM 1198 C ASP A 79 20.373 3.584 -9.562 1.00 14.93 C ATOM 1199 O ASP A 79 19.664 2.683 -9.086 1.00 13.07 O ATOM 1200 CB ASP A 79 19.149 5.759 -9.328 1.00 17.57 C ATOM 1201 CG ASP A 79 18.438 6.912 -10.025 1.00 22.63 C ATOM 1202 OD1 ASP A 79 18.966 7.429 -11.019 1.00 27.59 O ATOM 1203 OD2 ASP A 79 17.332 7.356 -9.652 1.00 31.23 O ATOM 1204 HA ASP A 79 20.511 5.228 -10.923 1.00 0.00 H ATOM 1205 HB2 ASP A 79 18.434 5.244 -8.686 1.00 0.00 H ATOM 1206 HB3 ASP A 79 19.957 6.163 -8.719 1.00 0.00 H ATOM 1207 H ASP A 79 17.824 3.847 -10.802 1.00 0.00 H ATOM 1208 N PHE A 80 21.703 3.624 -9.403 1.00 13.37 N ATOM 1209 CA PHE A 80 22.413 2.583 -8.673 1.00 12.99 C ATOM 1210 C PHE A 80 22.010 2.483 -7.205 1.00 13.06 C ATOM 1211 O PHE A 80 21.997 1.386 -6.616 1.00 13.52 O ATOM 1212 CB PHE A 80 23.927 2.760 -8.803 1.00 12.77 C ATOM 1213 CG PHE A 80 24.702 1.630 -8.237 1.00 12.40 C ATOM 1214 CD1 PHE A 80 24.840 0.447 -8.946 1.00 12.75 C ATOM 1215 CD2 PHE A 80 25.274 1.730 -6.994 1.00 13.48 C ATOM 1216 CE1 PHE A 80 25.521 -0.608 -8.398 1.00 12.88 C ATOM 1217 CE2 PHE A 80 25.988 0.688 -6.442 1.00 13.63 C ATOM 1218 CZ PHE A 80 26.109 -0.494 -7.147 1.00 13.95 C ATOM 1219 HA PHE A 80 22.120 1.641 -9.136 1.00 0.00 H ATOM 1220 HB2 PHE A 80 24.175 2.854 -9.860 1.00 0.00 H ATOM 1221 HB3 PHE A 80 24.215 3.673 -8.281 1.00 0.00 H ATOM 1222 HD2 PHE A 80 25.161 2.656 -6.429 1.00 0.00 H ATOM 1223 HE2 PHE A 80 26.451 0.795 -5.461 1.00 0.00 H ATOM 1224 HZ PHE A 80 26.663 -1.331 -6.723 1.00 0.00 H ATOM 1225 HE1 PHE A 80 25.601 -1.545 -8.950 1.00 0.00 H ATOM 1226 HD1 PHE A 80 24.406 0.356 -9.942 1.00 0.00 H ATOM 1227 H PHE A 80 22.240 4.416 -9.810 1.00 0.00 H ATOM 1228 N LYS A 81 21.622 3.600 -6.597 1.00 14.26 N ATOM 1229 CA LYS A 81 21.172 3.543 -5.199 1.00 15.04 C ATOM 1230 C LYS A 81 19.979 2.603 -4.997 1.00 14.25 C ATOM 1231 O LYS A 81 19.845 1.990 -3.944 1.00 15.71 O ATOM 1232 CB LYS A 81 20.849 4.942 -4.678 1.00 15.71 C ATOM 1233 CG LYS A 81 19.513 5.467 -5.016 1.00 16.13 C ATOM 1234 CD LYS A 81 19.283 6.818 -4.330 1.00 17.80 C ATOM 1235 CE LYS A 81 18.420 7.730 -5.171 1.00 18.52 C ATOM 1236 NZ LYS A 81 18.251 9.074 -4.551 1.00 19.38 N ATOM 1237 HA LYS A 81 21.999 3.130 -4.621 1.00 0.00 H ATOM 1238 HB2 LYS A 81 20.934 4.921 -3.592 1.00 0.00 H ATOM 1239 HB3 LYS A 81 21.590 5.629 -5.086 1.00 0.00 H ATOM 1240 HG2 LYS A 81 19.439 5.595 -6.096 1.00 0.00 H ATOM 1241 HG3 LYS A 81 18.754 4.760 -4.682 1.00 0.00 H ATOM 1242 HD2 LYS A 81 18.791 6.649 -3.372 1.00 0.00 H ATOM 1243 HD3 LYS A 81 20.247 7.298 -4.162 1.00 0.00 H ATOM 1244 HE2 LYS A 81 17.438 7.272 -5.291 1.00 0.00 H ATOM 1245 HE3 LYS A 81 18.885 7.850 -6.149 1.00 0.00 H ATOM 1246 HZ1 LYS A 81 17.801 8.970 -3.619 1.00 0.00 H ATOM 1247 HZ2 LYS A 81 19.183 9.522 -4.439 1.00 0.00 H ATOM 1248 HZ3 LYS A 81 17.652 9.664 -5.163 1.00 0.00 H ATOM 1249 H LYS A 81 21.637 4.507 -7.106 1.00 0.00 H ATOM 1250 N THR A 82 19.164 2.420 -6.020 1.00 14.12 N ATOM 1251 CA THR A 82 18.053 1.473 -5.961 1.00 13.91 C ATOM 1252 C THR A 82 18.491 0.018 -5.910 1.00 13.45 C ATOM 1253 O THR A 82 17.799 -0.814 -5.328 1.00 12.42 O ATOM 1254 CB THR A 82 17.077 1.704 -7.108 1.00 14.50 C ATOM 1255 OG1 THR A 82 16.710 3.104 -7.135 1.00 17.10 O ATOM 1256 CG2 THR A 82 15.743 0.992 -6.843 1.00 16.09 C ATOM 1257 HA THR A 82 17.546 1.669 -5.016 1.00 0.00 H ATOM 1258 HB THR A 82 17.561 1.351 -8.019 1.00 0.00 H ATOM 1259 HG1 THR A 82 16.283 3.349 -6.276 1.00 0.00 H ATOM 1260 HG23 THR A 82 15.909 -0.085 -6.803 1.00 0.00 H ATOM 1261 HG21 THR A 82 15.333 1.333 -5.892 1.00 0.00 H ATOM 1262 HG22 THR A 82 15.043 1.224 -7.646 1.00 0.00 H ATOM 1263 H THR A 82 19.317 2.965 -6.892 1.00 0.00 H ATOM 1264 N VAL A 83 19.635 -0.285 -6.523 1.00 12.94 N ATOM 1265 CA VAL A 83 20.260 -1.592 -6.320 1.00 13.69 C ATOM 1266 C VAL A 83 20.554 -1.840 -4.835 1.00 13.19 C ATOM 1267 O VAL A 83 20.224 -2.882 -4.257 1.00 13.23 O ATOM 1268 CB VAL A 83 21.561 -1.714 -7.134 1.00 13.36 C ATOM 1269 CG1 VAL A 83 22.321 -2.971 -6.752 1.00 14.54 C ATOM 1270 CG2 VAL A 83 21.243 -1.735 -8.616 1.00 13.33 C ATOM 1271 HA VAL A 83 19.555 -2.347 -6.668 1.00 0.00 H ATOM 1272 HB VAL A 83 22.188 -0.851 -6.911 1.00 0.00 H ATOM 1273 HG11 VAL A 83 22.572 -2.934 -5.692 1.00 0.00 H ATOM 1274 HG12 VAL A 83 21.699 -3.844 -6.950 1.00 0.00 H ATOM 1275 HG13 VAL A 83 23.236 -3.034 -7.341 1.00 0.00 H ATOM 1276 HG21 VAL A 83 20.599 -2.587 -8.836 1.00 0.00 H ATOM 1277 HG22 VAL A 83 20.732 -0.812 -8.890 1.00 0.00 H ATOM 1278 HG23 VAL A 83 22.169 -1.822 -9.184 1.00 0.00 H ATOM 1279 H VAL A 83 20.086 0.412 -7.149 1.00 0.00 H ATOM 1280 N MET A 84 21.169 -0.851 -4.201 1.00 13.99 N ATOM 1281 CA MET A 84 21.482 -0.977 -2.801 1.00 14.66 C ATOM 1282 C MET A 84 20.207 -1.039 -1.946 1.00 14.06 C ATOM 1283 O MET A 84 20.139 -1.777 -0.968 1.00 14.46 O ATOM 1284 CB MET A 84 22.382 0.187 -2.372 1.00 15.67 C ATOM 1285 CG MET A 84 23.757 0.183 -3.068 1.00 18.74 C ATOM 1286 SD MET A 84 24.620 -1.371 -2.967 1.00 25.26 S ATOM 1287 CE MET A 84 24.925 -1.554 -1.158 1.00 23.76 C ATOM 1288 HA MET A 84 22.016 -1.914 -2.643 1.00 0.00 H ATOM 1289 HB2 MET A 84 21.876 1.122 -2.611 1.00 0.00 H ATOM 1290 HB3 MET A 84 22.539 0.125 -1.295 1.00 0.00 H ATOM 1291 HG2 MET A 84 24.378 0.950 -2.605 1.00 0.00 H ATOM 1292 HG3 MET A 84 23.609 0.424 -4.121 1.00 0.00 H ATOM 1293 HE1 MET A 84 25.526 -0.716 -0.805 1.00 0.00 H ATOM 1294 HE2 MET A 84 23.972 -1.567 -0.630 1.00 0.00 H ATOM 1295 HE3 MET A 84 25.457 -2.487 -0.973 1.00 0.00 H ATOM 1296 H MET A 84 21.425 0.016 -4.715 1.00 0.00 H ATOM 1297 N LYS A 85 19.191 -0.289 -2.334 1.00 13.94 N ATOM 1298 CA LYS A 85 17.939 -0.298 -1.603 1.00 14.45 C ATOM 1299 C LYS A 85 17.281 -1.648 -1.702 1.00 13.29 C ATOM 1300 O LYS A 85 16.743 -2.157 -0.737 1.00 11.47 O ATOM 1301 CB LYS A 85 17.034 0.777 -2.122 1.00 14.59 C ATOM 1302 CG LYS A 85 15.648 0.760 -1.478 1.00 19.47 C ATOM 1303 CD LYS A 85 14.897 2.090 -1.427 1.00 25.22 C ATOM 1304 CE LYS A 85 15.495 2.999 -2.531 1.00 25.24 C ATOM 1305 NZ LYS A 85 14.905 4.371 -2.432 1.00 26.32 N ATOM 1306 HA LYS A 85 18.143 -0.099 -0.551 1.00 0.00 H ATOM 1307 HB2 LYS A 85 17.496 1.744 -1.925 1.00 0.00 H ATOM 1308 HB3 LYS A 85 16.918 0.643 -3.198 1.00 0.00 H ATOM 1309 HG2 LYS A 85 15.033 0.055 -2.037 1.00 0.00 H ATOM 1310 HG3 LYS A 85 15.764 0.407 -0.453 1.00 0.00 H ATOM 1311 HD2 LYS A 85 13.835 1.927 -1.612 1.00 0.00 H ATOM 1312 HD3 LYS A 85 15.027 2.555 -0.450 1.00 0.00 H ATOM 1313 HE2 LYS A 85 15.268 2.577 -3.510 1.00 0.00 H ATOM 1314 HE3 LYS A 85 16.576 3.059 -2.404 1.00 0.00 H ATOM 1315 HZ1 LYS A 85 13.874 4.313 -2.554 1.00 0.00 H ATOM 1316 HZ2 LYS A 85 15.123 4.774 -1.498 1.00 0.00 H ATOM 1317 HZ3 LYS A 85 15.310 4.976 -3.175 1.00 0.00 H ATOM 1318 H LYS A 85 19.291 0.315 -3.174 1.00 0.00 H ATOM 1319 N ALA A 86 17.305 -2.231 -2.896 1.00 13.13 N ATOM 1320 CA ALA A 86 16.757 -3.571 -3.061 1.00 11.68 C ATOM 1321 C ALA A 86 17.440 -4.586 -2.166 1.00 12.09 C ATOM 1322 O ALA A 86 16.762 -5.407 -1.555 1.00 12.20 O ATOM 1323 CB ALA A 86 16.862 -4.032 -4.526 1.00 12.23 C ATOM 1324 HA ALA A 86 15.708 -3.513 -2.770 1.00 0.00 H ATOM 1325 HB1 ALA A 86 16.305 -3.345 -5.163 1.00 0.00 H ATOM 1326 HB2 ALA A 86 17.909 -4.042 -4.828 1.00 0.00 H ATOM 1327 HB3 ALA A 86 16.446 -5.035 -4.621 1.00 0.00 H ATOM 1328 H ALA A 86 17.714 -1.732 -3.711 1.00 0.00 H ATOM 1329 N LYS A 87 18.769 -4.566 -2.106 1.00 13.05 N ATOM 1330 CA LYS A 87 19.492 -5.426 -1.189 1.00 14.18 C ATOM 1331 C LYS A 87 19.111 -5.193 0.265 1.00 14.15 C ATOM 1332 O LYS A 87 18.891 -6.152 1.000 1.00 14.78 O ATOM 1333 CB LYS A 87 20.998 -5.280 -1.364 1.00 14.26 C ATOM 1334 CG LYS A 87 21.775 -6.376 -0.634 1.00 16.33 C ATOM 1335 CD LYS A 87 23.292 -6.305 -0.953 1.00 16.61 C ATOM 1336 CE LYS A 87 24.180 -6.454 0.298 1.00 19.42 C ATOM 1337 NZ LYS A 87 23.690 -7.438 1.296 1.00 21.47 N ATOM 1338 HA LYS A 87 19.202 -6.446 -1.442 1.00 0.00 H ATOM 1339 HB2 LYS A 87 21.234 -5.331 -2.427 1.00 0.00 H ATOM 1340 HB3 LYS A 87 21.305 -4.311 -0.971 1.00 0.00 H ATOM 1341 HG2 LYS A 87 21.632 -6.257 0.440 1.00 0.00 H ATOM 1342 HG3 LYS A 87 21.393 -7.348 -0.944 1.00 0.00 H ATOM 1343 HD2 LYS A 87 23.538 -7.105 -1.651 1.00 0.00 H ATOM 1344 HD3 LYS A 87 23.505 -5.342 -1.417 1.00 0.00 H ATOM 1345 HE2 LYS A 87 24.246 -5.481 0.785 1.00 0.00 H ATOM 1346 HE3 LYS A 87 25.173 -6.765 -0.026 1.00 0.00 H ATOM 1347 HZ1 LYS A 87 22.747 -7.152 1.629 1.00 0.00 H ATOM 1348 HZ2 LYS A 87 23.632 -8.378 0.855 1.00 0.00 H ATOM 1349 HZ3 LYS A 87 24.348 -7.471 2.101 1.00 0.00 H ATOM 1350 H LYS A 87 19.299 -3.922 -2.728 1.00 0.00 H ATOM 1351 N ALA A 88 19.025 -3.928 0.674 1.00 15.15 N ATOM 1352 CA ALA A 88 18.628 -3.583 2.035 1.00 15.32 C ATOM 1353 C ALA A 88 17.216 -4.074 2.370 1.00 15.46 C ATOM 1354 O ALA A 88 16.988 -4.669 3.431 1.00 17.17 O ATOM 1355 CB ALA A 88 18.730 -2.087 2.264 1.00 16.36 C ATOM 1356 HA ALA A 88 19.320 -4.093 2.705 1.00 0.00 H ATOM 1357 HB1 ALA A 88 19.760 -1.766 2.106 1.00 0.00 H ATOM 1358 HB2 ALA A 88 18.075 -1.568 1.564 1.00 0.00 H ATOM 1359 HB3 ALA A 88 18.429 -1.856 3.286 1.00 0.00 H ATOM 1360 H ALA A 88 19.247 -3.164 0.004 1.00 0.00 H ATOM 1361 N VAL A 89 16.287 -3.887 1.461 1.00 15.23 N ATOM 1362 CA VAL A 89 14.911 -4.322 1.664 1.00 15.04 C ATOM 1363 C VAL A 89 14.857 -5.850 1.803 1.00 15.16 C ATOM 1364 O VAL A 89 14.232 -6.386 2.702 1.00 14.27 O ATOM 1365 CB VAL A 89 14.018 -3.879 0.510 1.00 15.17 C ATOM 1366 CG1 VAL A 89 12.695 -4.585 0.586 1.00 17.45 C ATOM 1367 CG2 VAL A 89 13.857 -2.369 0.534 1.00 16.36 C ATOM 1368 HA VAL A 89 14.543 -3.860 2.580 1.00 0.00 H ATOM 1369 HB VAL A 89 14.481 -4.148 -0.439 1.00 0.00 H ATOM 1370 HG11 VAL A 89 12.855 -5.661 0.524 1.00 0.00 H ATOM 1371 HG12 VAL A 89 12.209 -4.342 1.531 1.00 0.00 H ATOM 1372 HG13 VAL A 89 12.064 -4.262 -0.242 1.00 0.00 H ATOM 1373 HG21 VAL A 89 13.403 -2.068 1.478 1.00 0.00 H ATOM 1374 HG22 VAL A 89 14.835 -1.899 0.434 1.00 0.00 H ATOM 1375 HG23 VAL A 89 13.218 -2.060 -0.293 1.00 0.00 H ATOM 1376 H VAL A 89 16.541 -3.415 0.570 1.00 0.00 H ATOM 1377 N ASN A 90 15.553 -6.549 0.910 1.00 14.49 N ATOM 1378 CA ASN A 90 15.656 -8.000 1.004 1.00 14.45 C ATOM 1379 C ASN A 90 16.247 -8.466 2.342 1.00 14.29 C ATOM 1380 O ASN A 90 15.719 -9.365 2.986 1.00 15.25 O ATOM 1381 CB ASN A 90 16.487 -8.534 -0.150 1.00 13.96 C ATOM 1382 CG ASN A 90 16.464 -10.044 -0.222 1.00 16.66 C ATOM 1383 OD1 ASN A 90 15.440 -10.595 -0.531 1.00 24.70 O ATOM 1384 ND2 ASN A 90 17.582 -10.707 0.085 1.00 18.68 N ATOM 1385 HA ASN A 90 14.644 -8.400 0.948 1.00 0.00 H ATOM 1386 HB2 ASN A 90 16.091 -8.132 -1.083 1.00 0.00 H ATOM 1387 HB3 ASN A 90 17.518 -8.204 -0.022 1.00 0.00 H ATOM 1388 HD22 ASN A 90 18.442 -10.184 0.346 1.00 0.00 H ATOM 1389 HD21 ASN A 90 17.593 -11.747 0.063 1.00 0.00 H ATOM 1390 H ASN A 90 16.032 -6.052 0.132 1.00 0.00 H ATOM 1391 N ASP A 91 17.355 -7.865 2.752 1.00 15.02 N ATOM 1392 CA ASP A 91 18.017 -8.278 4.013 1.00 15.43 C ATOM 1393 C ASP A 91 17.141 -7.975 5.236 1.00 15.07 C ATOM 1394 O ASP A 91 17.029 -8.794 6.183 1.00 14.39 O ATOM 1395 CB ASP A 91 19.372 -7.577 4.156 1.00 16.44 C ATOM 1396 CG ASP A 91 20.425 -8.061 3.123 1.00 19.90 C ATOM 1397 OD1 ASP A 91 20.236 -9.123 2.501 1.00 21.72 O ATOM 1398 OD2 ASP A 91 21.463 -7.398 2.858 1.00 20.18 O ATOM 1399 HA ASP A 91 18.171 -9.356 3.967 1.00 0.00 H ATOM 1400 HB2 ASP A 91 19.223 -6.505 4.023 1.00 0.00 H ATOM 1401 HB3 ASP A 91 19.757 -7.768 5.158 1.00 0.00 H ATOM 1402 H ASP A 91 17.764 -7.096 2.184 1.00 0.00 H ATOM 1403 N CYS A 92 16.501 -6.812 5.209 1.00 14.46 N ATOM 1404 CA CYS A 92 15.617 -6.388 6.294 1.00 14.69 C ATOM 1405 C CYS A 92 14.382 -7.257 6.376 1.00 14.34 C ATOM 1406 O CYS A 92 13.920 -7.584 7.471 1.00 14.21 O ATOM 1407 CB CYS A 92 15.250 -4.924 6.156 1.00 14.05 C ATOM 1408 SG CYS A 92 16.648 -3.888 6.654 1.00 16.03 S ATOM 1409 HA CYS A 92 16.163 -6.510 7.230 1.00 0.00 H ATOM 1410 HB2 CYS A 92 14.393 -4.705 6.792 1.00 0.00 H ATOM 1411 HB3 CYS A 92 14.994 -4.712 5.118 1.00 0.00 H ATOM 1412 H CYS A 92 16.632 -6.183 4.391 1.00 0.00 H ATOM 1413 N ALA A 93 13.882 -7.670 5.227 1.00 14.95 N ATOM 1414 CA ALA A 93 12.730 -8.559 5.208 1.00 15.17 C ATOM 1415 C ALA A 93 13.077 -9.890 5.872 1.00 15.80 C ATOM 1416 O ALA A 93 12.342 -10.377 6.724 1.00 14.78 O ATOM 1417 CB ALA A 93 12.232 -8.773 3.793 1.00 16.06 C ATOM 1418 HA ALA A 93 11.925 -8.091 5.775 1.00 0.00 H ATOM 1419 HB1 ALA A 93 11.942 -7.815 3.363 1.00 0.00 H ATOM 1420 HB2 ALA A 93 13.026 -9.217 3.193 1.00 0.00 H ATOM 1421 HB3 ALA A 93 11.371 -9.441 3.809 1.00 0.00 H ATOM 1422 H ALA A 93 14.312 -7.359 4.333 1.00 0.00 H ATOM 1423 N ASN A 94 14.229 -10.438 5.512 1.00 16.23 N ATOM 1424 CA ASN A 94 14.703 -11.675 6.135 1.00 17.56 C ATOM 1425 C ASN A 94 14.919 -11.500 7.625 1.00 17.13 C ATOM 1426 O ASN A 94 14.624 -12.399 8.386 1.00 19.51 O ATOM 1427 CB ASN A 94 15.982 -12.168 5.476 1.00 17.71 C ATOM 1428 CG ASN A 94 15.721 -12.831 4.153 1.00 21.28 C ATOM 1429 OD1 ASN A 94 14.725 -13.550 3.995 1.00 24.16 O ATOM 1430 ND2 ASN A 94 16.604 -12.597 3.184 1.00 22.61 N ATOM 1431 HA ASN A 94 13.926 -12.425 5.989 1.00 0.00 H ATOM 1432 HB2 ASN A 94 16.646 -11.318 5.318 1.00 0.00 H ATOM 1433 HB3 ASN A 94 16.465 -12.886 6.139 1.00 0.00 H ATOM 1434 HD22 ASN A 94 17.425 -11.985 3.366 1.00 0.00 H ATOM 1435 HD21 ASN A 94 16.472 -13.026 2.246 1.00 0.00 H ATOM 1436 H ASN A 94 14.805 -9.982 4.776 1.00 0.00 H ATOM 1437 N GLN A 95 15.401 -10.339 8.044 1.00 17.16 N ATOM 1438 CA GLN A 95 15.630 -10.079 9.462 1.00 16.98 C ATOM 1439 C GLN A 95 14.341 -10.110 10.297 1.00 16.44 C ATOM 1440 O GLN A 95 14.296 -10.710 11.376 1.00 16.88 O ATOM 1441 CB GLN A 95 16.319 -8.724 9.612 1.00 17.48 C ATOM 1442 CG GLN A 95 16.688 -8.321 11.004 1.00 20.15 C ATOM 1443 CD GLN A 95 17.585 -7.084 11.009 1.00 21.50 C ATOM 1444 OE1 GLN A 95 18.553 -7.024 10.247 1.00 22.05 O ATOM 1445 NE2 GLN A 95 17.230 -6.089 11.808 1.00 20.95 N ATOM 1446 HA GLN A 95 16.263 -10.879 9.845 1.00 0.00 H ATOM 1447 HB2 GLN A 95 17.233 -8.748 9.019 1.00 0.00 H ATOM 1448 HB3 GLN A 95 15.648 -7.964 9.212 1.00 0.00 H ATOM 1449 HG2 GLN A 95 15.778 -8.102 11.563 1.00 0.00 H ATOM 1450 HG3 GLN A 95 17.217 -9.145 11.483 1.00 0.00 H ATOM 1451 HE22 GLN A 95 16.404 -6.192 12.432 1.00 0.00 H ATOM 1452 HE21 GLN A 95 17.777 -5.205 11.812 1.00 0.00 H ATOM 1453 H GLN A 95 15.621 -9.598 7.348 1.00 0.00 H ATOM 1454 N VAL A 96 13.285 -9.484 9.796 1.00 15.15 N ATOM 1455 CA VAL A 96 12.076 -9.280 10.608 1.00 15.41 C ATOM 1456 C VAL A 96 10.975 -10.304 10.396 1.00 14.58 C ATOM 1457 O VAL A 96 10.096 -10.431 11.250 1.00 14.45 O ATOM 1458 CB VAL A 96 11.466 -7.858 10.407 1.00 15.53 C ATOM 1459 CG1 VAL A 96 12.480 -6.813 10.698 1.00 17.26 C ATOM 1460 CG2 VAL A 96 10.864 -7.693 9.012 1.00 14.49 C ATOM 1461 HA VAL A 96 12.441 -9.402 11.628 1.00 0.00 H ATOM 1462 HB VAL A 96 10.647 -7.738 11.116 1.00 0.00 H ATOM 1463 HG11 VAL A 96 12.817 -6.913 11.730 1.00 0.00 H ATOM 1464 HG12 VAL A 96 13.328 -6.934 10.024 1.00 0.00 H ATOM 1465 HG13 VAL A 96 12.037 -5.828 10.553 1.00 0.00 H ATOM 1466 HG21 VAL A 96 11.641 -7.843 8.262 1.00 0.00 H ATOM 1467 HG22 VAL A 96 10.073 -8.429 8.870 1.00 0.00 H ATOM 1468 HG23 VAL A 96 10.450 -6.690 8.913 1.00 0.00 H ATOM 1469 H VAL A 96 13.312 -9.133 8.817 1.00 0.00 H ATOM 1470 N ASN A 97 11.010 -11.032 9.294 1.00 14.07 N ATOM 1471 CA ASN A 97 9.952 -11.989 9.008 1.00 14.39 C ATOM 1472 C ASN A 97 9.950 -13.064 10.087 1.00 15.02 C ATOM 1473 O ASN A 97 11.012 -13.535 10.526 1.00 14.78 O ATOM 1474 CB ASN A 97 10.086 -12.649 7.625 1.00 13.92 C ATOM 1475 CG ASN A 97 9.515 -11.791 6.485 1.00 12.99 C ATOM 1476 OD1 ASN A 97 8.647 -10.941 6.688 1.00 15.77 O ATOM 1477 ND2 ASN A 97 10.009 -12.041 5.272 1.00 16.15 N ATOM 1478 HA ASN A 97 9.012 -11.437 9.001 1.00 0.00 H ATOM 1479 HB2 ASN A 97 11.143 -12.828 7.428 1.00 0.00 H ATOM 1480 HB3 ASN A 97 9.554 -13.600 7.642 1.00 0.00 H ATOM 1481 HD22 ASN A 97 10.742 -12.769 5.149 1.00 0.00 H ATOM 1482 HD21 ASN A 97 9.662 -11.508 4.449 1.00 0.00 H ATOM 1483 H ASN A 97 11.799 -10.920 8.626 1.00 0.00 H ATOM 1484 N GLY A 98 8.758 -13.419 10.536 1.00 15.74 N ATOM 1485 CA GLY A 98 8.607 -14.446 11.545 1.00 16.51 C ATOM 1486 C GLY A 98 8.391 -13.873 12.920 1.00 16.67 C ATOM 1487 O GLY A 98 7.825 -14.560 13.772 1.00 18.20 O ATOM 1488 HA3 GLY A 98 9.508 -15.059 11.559 1.00 0.00 H ATOM 1489 HA2 GLY A 98 7.750 -15.068 11.286 1.00 0.00 H ATOM 1490 H GLY A 98 7.911 -12.950 10.156 1.00 0.00 H ATOM 1491 N ALA A 99 8.820 -12.633 13.149 1.00 16.16 N ATOM 1492 CA ALA A 99 8.924 -12.072 14.503 1.00 16.02 C ATOM 1493 C ALA A 99 7.712 -11.228 14.911 1.00 15.72 C ATOM 1494 O ALA A 99 7.543 -10.928 16.111 1.00 15.76 O ATOM 1495 CB ALA A 99 10.188 -11.227 14.619 1.00 17.40 C ATOM 1496 HA ALA A 99 8.963 -12.922 15.184 1.00 0.00 H ATOM 1497 HB1 ALA A 99 11.060 -11.850 14.419 1.00 0.00 H ATOM 1498 HB2 ALA A 99 10.148 -10.414 13.894 1.00 0.00 H ATOM 1499 HB3 ALA A 99 10.257 -10.815 15.626 1.00 0.00 H ATOM 1500 H ALA A 99 9.092 -12.040 12.339 1.00 0.00 H ATOM 1501 N TYR A 100 6.879 -10.863 13.928 1.00 14.73 N ATOM 1502 CA TYR A 100 5.795 -9.885 14.124 1.00 13.94 C ATOM 1503 C TYR A 100 4.537 -10.293 13.350 1.00 13.70 C ATOM 1504 O TYR A 100 4.352 -9.908 12.199 1.00 12.86 O ATOM 1505 CB TYR A 100 6.240 -8.486 13.670 1.00 14.38 C ATOM 1506 CG TYR A 100 7.431 -8.009 14.454 1.00 17.00 C ATOM 1507 CD1 TYR A 100 8.704 -8.023 13.883 1.00 18.73 C ATOM 1508 CD2 TYR A 100 7.298 -7.602 15.765 1.00 19.20 C ATOM 1509 CE1 TYR A 100 9.812 -7.628 14.613 1.00 21.12 C ATOM 1510 CE2 TYR A 100 8.409 -7.187 16.496 1.00 21.72 C ATOM 1511 CZ TYR A 100 9.662 -7.216 15.902 1.00 22.91 C ATOM 1512 OH TYR A 100 10.781 -6.836 16.602 1.00 25.66 O ATOM 1513 HA TYR A 100 5.562 -9.862 15.189 1.00 0.00 H ATOM 1514 HB3 TYR A 100 5.416 -7.787 13.815 1.00 0.00 H ATOM 1515 HB2 TYR A 100 6.502 -8.522 12.613 1.00 0.00 H ATOM 1516 HD2 TYR A 100 6.314 -7.605 16.234 1.00 0.00 H ATOM 1517 HE2 TYR A 100 8.295 -6.843 17.524 1.00 0.00 H ATOM 1518 HE1 TYR A 100 10.802 -7.647 14.157 1.00 0.00 H ATOM 1519 HD1 TYR A 100 8.828 -8.349 12.850 1.00 0.00 H ATOM 1520 HH TYR A 100 11.578 -6.922 16.020 1.00 0.00 H ATOM 1521 H TYR A 100 7.003 -11.288 12.987 1.00 0.00 H ATOM 1522 N PRO A 101 3.658 -11.075 13.974 1.00 12.10 N ATOM 1523 CA PRO A 101 2.411 -11.466 13.324 1.00 11.54 C ATOM 1524 C PRO A 101 1.574 -10.291 12.830 1.00 11.38 C ATOM 1525 O PRO A 101 0.912 -10.395 11.792 1.00 12.14 O ATOM 1526 CB PRO A 101 1.663 -12.198 14.423 1.00 11.67 C ATOM 1527 CG PRO A 101 2.733 -12.735 15.290 1.00 11.78 C ATOM 1528 CD PRO A 101 3.808 -11.705 15.311 1.00 12.68 C ATOM 1529 HA PRO A 101 2.609 -12.055 12.429 1.00 0.00 H ATOM 1530 HD3 PRO A 101 3.648 -10.981 16.110 1.00 0.00 H ATOM 1531 HD2 PRO A 101 4.791 -12.161 15.426 1.00 0.00 H ATOM 1532 HG3 PRO A 101 3.115 -13.672 14.883 1.00 0.00 H ATOM 1533 HG2 PRO A 101 2.353 -12.906 16.297 1.00 0.00 H ATOM 1534 HB2 PRO A 101 1.022 -11.513 14.978 1.00 0.00 H ATOM 1535 HB3 PRO A 101 1.058 -13.005 14.009 1.00 0.00 H ATOM 1536 N ASP A 102 1.600 -9.190 13.571 1.00 10.24 N ATOM 1537 CA ASP A 102 0.794 -8.014 13.197 1.00 10.62 C ATOM 1538 C ASP A 102 1.559 -7.231 12.154 1.00 11.17 C ATOM 1539 O ASP A 102 2.743 -6.895 12.351 1.00 11.28 O ATOM 1540 CB ASP A 102 0.589 -7.153 14.414 1.00 10.52 C ATOM 1541 CG ASP A 102 -0.166 -5.895 14.131 1.00 13.95 C ATOM 1542 OD1 ASP A 102 0.466 -4.864 13.729 1.00 15.47 O ATOM 1543 OD2 ASP A 102 -1.376 -5.824 14.353 1.00 15.07 O ATOM 1544 HA ASP A 102 -0.174 -8.323 12.803 1.00 0.00 H ATOM 1545 HB2 ASP A 102 0.036 -7.729 15.156 1.00 0.00 H ATOM 1546 HB3 ASP A 102 1.566 -6.887 14.818 1.00 0.00 H ATOM 1547 H ASP A 102 2.195 -9.157 14.424 1.00 0.00 H ATOM 1548 N ARG A 103 0.902 -6.888 11.052 1.00 10.60 N ATOM 1549 CA ARG A 103 1.657 -6.323 9.950 1.00 10.43 C ATOM 1550 C ARG A 103 2.090 -4.914 10.248 1.00 10.57 C ATOM 1551 O ARG A 103 3.026 -4.421 9.621 1.00 11.49 O ATOM 1552 CB ARG A 103 0.912 -6.359 8.624 1.00 11.79 C ATOM 1553 CG ARG A 103 -0.251 -5.452 8.495 1.00 12.26 C ATOM 1554 CD ARG A 103 -0.926 -5.595 7.169 1.00 12.35 C ATOM 1555 NE ARG A 103 -2.070 -4.722 7.058 1.00 12.29 N ATOM 1556 CZ ARG A 103 -3.029 -4.832 6.144 1.00 13.80 C ATOM 1557 NH1 ARG A 103 -3.036 -5.817 5.258 1.00 14.43 N ATOM 1558 NH2 ARG A 103 -3.998 -3.947 6.134 1.00 15.65 N ATOM 1559 HA ARG A 103 2.535 -6.960 9.845 1.00 0.00 H ATOM 1560 HB2 ARG A 103 1.622 -6.102 7.838 1.00 0.00 H ATOM 1561 HB3 ARG A 103 0.556 -7.378 8.471 1.00 0.00 H ATOM 1562 HG2 ARG A 103 -0.968 -5.684 9.282 1.00 0.00 H ATOM 1563 HG3 ARG A 103 0.090 -4.423 8.608 1.00 0.00 H ATOM 1564 HD2 ARG A 103 -1.255 -6.627 7.049 1.00 0.00 H ATOM 1565 HD3 ARG A 103 -0.214 -5.348 6.381 1.00 0.00 H ATOM 1566 HE ARG A 103 -2.150 -3.947 7.747 1.00 0.00 H ATOM 1567 HH12 ARG A 103 -3.799 -5.878 4.554 1.00 0.00 H ATOM 1568 HH11 ARG A 103 -2.278 -6.529 5.266 1.00 0.00 H ATOM 1569 HH22 ARG A 103 -4.758 -4.016 5.427 1.00 0.00 H ATOM 1570 HH21 ARG A 103 -4.006 -3.177 6.833 1.00 0.00 H ATOM 1571 H ARG A 103 -0.127 -7.021 10.981 1.00 0.00 H ATOM 1572 N CYS A 104 1.389 -4.234 11.150 1.00 10.84 N ATOM 1573 CA CYS A 104 1.845 -2.885 11.516 1.00 11.49 C ATOM 1574 C CYS A 104 3.170 -2.974 12.254 1.00 11.55 C ATOM 1575 O CYS A 104 4.074 -2.187 11.995 1.00 12.55 O ATOM 1576 CB CYS A 104 0.797 -2.164 12.353 1.00 12.52 C ATOM 1577 SG CYS A 104 -0.879 -2.377 11.744 1.00 13.59 S ATOM 1578 HA CYS A 104 1.991 -2.303 10.606 1.00 0.00 H ATOM 1579 HB2 CYS A 104 1.030 -1.099 12.356 1.00 0.00 H ATOM 1580 HB3 CYS A 104 0.845 -2.548 13.372 1.00 0.00 H ATOM 1581 H CYS A 104 0.539 -4.646 11.586 1.00 0.00 H ATOM 1582 N ASP A 105 3.269 -3.912 13.205 1.00 11.38 N ATOM 1583 CA ASP A 105 4.527 -4.126 13.920 1.00 12.13 C ATOM 1584 C ASP A 105 5.604 -4.572 12.952 1.00 11.76 C ATOM 1585 O ASP A 105 6.762 -4.146 13.039 1.00 12.43 O ATOM 1586 CB ASP A 105 4.392 -5.174 15.000 1.00 12.34 C ATOM 1587 CG ASP A 105 3.465 -4.759 16.133 1.00 14.11 C ATOM 1588 OD1 ASP A 105 2.951 -5.669 16.818 1.00 15.96 O ATOM 1589 OD2 ASP A 105 3.184 -3.567 16.405 1.00 17.84 O ATOM 1590 HA ASP A 105 4.796 -3.178 14.385 1.00 0.00 H ATOM 1591 HB2 ASP A 105 4.001 -6.086 14.550 1.00 0.00 H ATOM 1592 HB3 ASP A 105 5.380 -5.371 15.416 1.00 0.00 H ATOM 1593 H ASP A 105 2.441 -4.496 13.438 1.00 0.00 H ATOM 1594 N LEU A 106 5.243 -5.460 12.016 1.00 11.01 N ATOM 1595 CA LEU A 106 6.224 -5.940 11.042 1.00 11.94 C ATOM 1596 C LEU A 106 6.798 -4.787 10.258 1.00 12.35 C ATOM 1597 O LEU A 106 8.019 -4.699 10.066 1.00 12.01 O ATOM 1598 CB LEU A 106 5.580 -6.920 10.077 1.00 12.96 C ATOM 1599 CG LEU A 106 6.412 -7.661 9.025 1.00 13.71 C ATOM 1600 CD1 LEU A 106 7.394 -8.652 9.653 1.00 16.92 C ATOM 1601 CD2 LEU A 106 5.449 -8.400 8.119 1.00 18.36 C ATOM 1602 HA LEU A 106 7.022 -6.440 11.590 1.00 0.00 H ATOM 1603 HB2 LEU A 106 5.101 -7.685 10.687 1.00 0.00 H ATOM 1604 HB3 LEU A 106 4.818 -6.362 9.532 1.00 0.00 H ATOM 1605 HG LEU A 106 7.009 -6.936 8.471 1.00 0.00 H ATOM 1606 HD21 LEU A 106 4.865 -9.106 8.710 1.00 0.00 H ATOM 1607 HD22 LEU A 106 4.780 -7.684 7.641 1.00 0.00 H ATOM 1608 HD23 LEU A 106 6.011 -8.940 7.357 1.00 0.00 H ATOM 1609 HD11 LEU A 106 8.079 -8.116 10.310 1.00 0.00 H ATOM 1610 HD12 LEU A 106 6.841 -9.393 10.230 1.00 0.00 H ATOM 1611 HD13 LEU A 106 7.959 -9.150 8.865 1.00 0.00 H ATOM 1612 H LEU A 106 4.264 -5.809 11.982 1.00 0.00 H ATOM 1613 N ILE A 107 5.910 -3.924 9.809 1.00 12.68 N ATOM 1614 CA ILE A 107 6.299 -2.775 8.970 1.00 13.96 C ATOM 1615 C ILE A 107 7.110 -1.759 9.777 1.00 12.71 C ATOM 1616 O ILE A 107 8.119 -1.196 9.268 1.00 14.30 O ATOM 1617 CB ILE A 107 5.070 -2.182 8.249 1.00 14.55 C ATOM 1618 CG1 ILE A 107 4.595 -3.160 7.125 1.00 17.18 C ATOM 1619 CG2 ILE A 107 5.359 -0.818 7.704 1.00 20.43 C ATOM 1620 CD1 ILE A 107 5.581 -3.813 6.280 1.00 19.30 C ATOM 1621 HA ILE A 107 6.966 -3.114 8.178 1.00 0.00 H ATOM 1622 HB ILE A 107 4.264 -2.066 8.973 1.00 0.00 H ATOM 1623 HG12 ILE A 107 4.022 -3.949 7.612 1.00 0.00 H ATOM 1624 HG13 ILE A 107 3.939 -2.591 6.466 1.00 0.00 H ATOM 1625 HD11 ILE A 107 6.162 -3.057 5.751 1.00 0.00 H ATOM 1626 HD12 ILE A 107 6.245 -4.417 6.899 1.00 0.00 H ATOM 1627 HD13 ILE A 107 5.073 -4.453 5.559 1.00 0.00 H ATOM 1628 HG21 ILE A 107 5.634 -0.152 8.522 1.00 0.00 H ATOM 1629 HG22 ILE A 107 6.181 -0.880 6.991 1.00 0.00 H ATOM 1630 HG23 ILE A 107 4.471 -0.432 7.203 1.00 0.00 H ATOM 1631 H ILE A 107 4.908 -4.056 10.053 1.00 0.00 H ATOM 1632 N LYS A 108 6.764 -1.563 11.040 1.00 13.39 N ATOM 1633 CA LYS A 108 7.558 -0.702 11.932 1.00 12.98 C ATOM 1634 C LYS A 108 8.978 -1.194 11.999 1.00 12.59 C ATOM 1635 O LYS A 108 9.928 -0.440 11.749 1.00 13.23 O ATOM 1636 CB LYS A 108 6.950 -0.623 13.352 1.00 13.40 C ATOM 1637 CG LYS A 108 7.777 0.198 14.344 1.00 16.14 C ATOM 1638 CD LYS A 108 8.189 1.538 13.782 1.00 19.87 C ATOM 1639 CE LYS A 108 8.552 2.524 14.865 1.00 23.66 C ATOM 1640 NZ LYS A 108 9.526 3.490 14.287 1.00 26.83 N ATOM 1641 HA LYS A 108 7.545 0.305 11.515 1.00 0.00 H ATOM 1642 HB2 LYS A 108 5.961 -0.172 13.276 1.00 0.00 H ATOM 1643 HB3 LYS A 108 6.857 -1.637 13.741 1.00 0.00 H ATOM 1644 HG2 LYS A 108 7.183 0.363 15.243 1.00 0.00 H ATOM 1645 HG3 LYS A 108 8.674 -0.365 14.601 1.00 0.00 H ATOM 1646 HD2 LYS A 108 9.053 1.396 13.133 1.00 0.00 H ATOM 1647 HD3 LYS A 108 7.362 1.944 13.200 1.00 0.00 H ATOM 1648 HE2 LYS A 108 9.003 2.001 15.708 1.00 0.00 H ATOM 1649 HE3 LYS A 108 7.660 3.052 15.202 1.00 0.00 H ATOM 1650 HZ1 LYS A 108 10.371 2.977 13.965 1.00 0.00 H ATOM 1651 HZ2 LYS A 108 9.089 3.981 13.481 1.00 0.00 H ATOM 1652 HZ3 LYS A 108 9.796 4.185 15.013 1.00 0.00 H ATOM 1653 H LYS A 108 5.911 -2.028 11.411 1.00 0.00 H ATOM 1654 N ASN A 109 9.159 -2.464 12.326 1.00 11.71 N ATOM 1655 CA ASN A 109 10.493 -3.004 12.458 1.00 12.65 C ATOM 1656 C ASN A 109 11.259 -3.130 11.128 1.00 12.81 C ATOM 1657 O ASN A 109 12.468 -2.909 11.070 1.00 13.61 O ATOM 1658 CB ASN A 109 10.393 -4.296 13.222 1.00 13.52 C ATOM 1659 CG ASN A 109 10.072 -4.023 14.669 1.00 16.11 C ATOM 1660 OD1 ASN A 109 10.965 -3.626 15.445 1.00 20.76 O ATOM 1661 ND2 ASN A 109 8.795 -4.127 15.035 1.00 17.09 N ATOM 1662 HA ASN A 109 11.107 -2.297 13.016 1.00 0.00 H ATOM 1663 HB2 ASN A 109 9.605 -4.911 12.788 1.00 0.00 H ATOM 1664 HB3 ASN A 109 11.343 -4.827 13.158 1.00 0.00 H ATOM 1665 HD22 ASN A 109 8.085 -4.463 14.354 1.00 0.00 H ATOM 1666 HD21 ASN A 109 8.509 -3.872 16.002 1.00 0.00 H ATOM 1667 H ASN A 109 8.335 -3.078 12.489 1.00 0.00 H ATOM 1668 N PHE A 110 10.528 -3.435 10.065 1.00 12.46 N ATOM 1669 CA PHE A 110 11.078 -3.467 8.710 1.00 12.81 C ATOM 1670 C PHE A 110 11.627 -2.101 8.288 1.00 13.34 C ATOM 1671 O PHE A 110 12.775 -2.011 7.834 1.00 13.10 O ATOM 1672 CB PHE A 110 10.001 -3.945 7.729 1.00 12.76 C ATOM 1673 CG PHE A 110 10.379 -3.800 6.285 1.00 12.70 C ATOM 1674 CD1 PHE A 110 11.347 -4.591 5.714 1.00 13.08 C ATOM 1675 CD2 PHE A 110 9.693 -2.900 5.485 1.00 13.62 C ATOM 1676 CE1 PHE A 110 11.672 -4.466 4.341 1.00 13.33 C ATOM 1677 CE2 PHE A 110 9.992 -2.773 4.149 1.00 16.42 C ATOM 1678 CZ PHE A 110 10.992 -3.558 3.573 1.00 14.34 C ATOM 1679 HA PHE A 110 11.914 -4.166 8.697 1.00 0.00 H ATOM 1680 HB2 PHE A 110 9.801 -4.998 7.927 1.00 0.00 H ATOM 1681 HB3 PHE A 110 9.095 -3.365 7.906 1.00 0.00 H ATOM 1682 HD2 PHE A 110 8.906 -2.285 5.921 1.00 0.00 H ATOM 1683 HE2 PHE A 110 9.445 -2.056 3.537 1.00 0.00 H ATOM 1684 HZ PHE A 110 11.231 -3.449 2.515 1.00 0.00 H ATOM 1685 HE1 PHE A 110 12.454 -5.085 3.901 1.00 0.00 H ATOM 1686 HD1 PHE A 110 11.872 -5.325 6.326 1.00 0.00 H ATOM 1687 H PHE A 110 9.522 -3.661 10.200 1.00 0.00 H ATOM 1688 N THR A 111 10.845 -1.054 8.491 1.00 13.81 N ATOM 1689 CA THR A 111 11.218 0.280 8.054 1.00 15.20 C ATOM 1690 C THR A 111 12.345 0.838 8.923 1.00 15.61 C ATOM 1691 O THR A 111 13.216 1.550 8.426 1.00 15.86 O ATOM 1692 CB THR A 111 10.026 1.251 8.010 1.00 15.52 C ATOM 1693 OG1 THR A 111 9.395 1.354 9.291 1.00 16.45 O ATOM 1694 CG2 THR A 111 8.975 0.784 7.054 1.00 16.33 C ATOM 1695 HA THR A 111 11.577 0.185 7.029 1.00 0.00 H ATOM 1696 HB THR A 111 10.433 2.213 7.697 1.00 0.00 H ATOM 1697 HG1 THR A 111 9.067 0.462 9.569 1.00 0.00 H ATOM 1698 HG23 THR A 111 9.408 0.689 6.058 1.00 0.00 H ATOM 1699 HG21 THR A 111 8.594 -0.184 7.380 1.00 0.00 H ATOM 1700 HG22 THR A 111 8.160 1.508 7.030 1.00 0.00 H ATOM 1701 H THR A 111 9.936 -1.190 8.978 1.00 0.00 H ATOM 1702 N ASP A 112 12.343 0.513 10.212 1.00 16.07 N ATOM 1703 CA ASP A 112 13.475 0.898 11.071 1.00 16.45 C ATOM 1704 C ASP A 112 14.773 0.269 10.525 1.00 17.14 C ATOM 1705 O ASP A 112 15.817 0.938 10.433 1.00 18.32 O ATOM 1706 CB ASP A 112 13.242 0.484 12.524 1.00 17.00 C ATOM 1707 CG ASP A 112 12.145 1.304 13.231 1.00 18.23 C ATOM 1708 OD1 ASP A 112 11.698 2.392 12.759 1.00 21.14 O ATOM 1709 OD2 ASP A 112 11.642 0.880 14.295 1.00 20.33 O ATOM 1710 HA ASP A 112 13.567 1.984 11.056 1.00 0.00 H ATOM 1711 HB2 ASP A 112 12.952 -0.567 12.541 1.00 0.00 H ATOM 1712 HB3 ASP A 112 14.175 0.611 13.073 1.00 0.00 H ATOM 1713 H ASP A 112 11.541 -0.014 10.614 1.00 0.00 H ATOM 1714 N CYS A 113 14.694 -1.004 10.144 1.00 16.77 N ATOM 1715 CA CYS A 113 15.826 -1.740 9.629 1.00 16.28 C ATOM 1716 C CYS A 113 16.368 -1.089 8.347 1.00 16.68 C ATOM 1717 O CYS A 113 17.579 -0.921 8.184 1.00 16.84 O ATOM 1718 CB CYS A 113 15.441 -3.227 9.417 1.00 16.62 C ATOM 1719 SG CYS A 113 16.758 -4.242 8.717 1.00 17.73 S ATOM 1720 HA CYS A 113 16.634 -1.709 10.360 1.00 0.00 H ATOM 1721 HB2 CYS A 113 14.585 -3.266 8.743 1.00 0.00 H ATOM 1722 HB3 CYS A 113 15.161 -3.649 10.382 1.00 0.00 H ATOM 1723 H CYS A 113 13.778 -1.490 10.220 1.00 0.00 H ATOM 1724 N VAL A 114 15.471 -0.745 7.432 1.00 17.19 N ATOM 1725 CA VAL A 114 15.860 -0.206 6.134 1.00 18.53 C ATOM 1726 C VAL A 114 16.468 1.189 6.295 1.00 20.32 C ATOM 1727 O VAL A 114 17.490 1.487 5.678 1.00 19.95 O ATOM 1728 CB VAL A 114 14.659 -0.161 5.157 1.00 17.80 C ATOM 1729 CG1 VAL A 114 15.068 0.561 3.859 1.00 19.58 C ATOM 1730 CG2 VAL A 114 14.210 -1.547 4.828 1.00 18.35 C ATOM 1731 HA VAL A 114 16.611 -0.872 5.709 1.00 0.00 H ATOM 1732 HB VAL A 114 13.841 0.379 5.634 1.00 0.00 H ATOM 1733 HG11 VAL A 114 15.380 1.579 4.094 1.00 0.00 H ATOM 1734 HG12 VAL A 114 15.894 0.025 3.391 1.00 0.00 H ATOM 1735 HG13 VAL A 114 14.218 0.589 3.177 1.00 0.00 H ATOM 1736 HG21 VAL A 114 15.030 -2.092 4.361 1.00 0.00 H ATOM 1737 HG22 VAL A 114 13.908 -2.056 5.743 1.00 0.00 H ATOM 1738 HG23 VAL A 114 13.365 -1.500 4.141 1.00 0.00 H ATOM 1739 H VAL A 114 14.460 -0.863 7.647 1.00 0.00 H ATOM 1740 N ARG A 115 15.869 2.021 7.145 1.00 22.68 N ATOM 1741 CA ARG A 115 16.445 3.345 7.468 1.00 25.09 C ATOM 1742 C ARG A 115 17.865 3.224 8.020 1.00 27.17 C ATOM 1743 O ARG A 115 18.749 4.000 7.646 1.00 28.75 O ATOM 1744 CB ARG A 115 15.564 4.101 8.478 1.00 25.67 C ATOM 1745 CG ARG A 115 16.156 5.431 8.996 1.00 25.63 C ATOM 1746 CD ARG A 115 15.167 6.328 9.734 1.00 26.96 C ATOM 1747 NE ARG A 115 13.808 5.920 9.425 1.00 28.82 N ATOM 1748 CZ ARG A 115 13.051 5.108 10.164 1.00 30.97 C ATOM 1749 NH1 ARG A 115 13.449 4.639 11.342 1.00 32.15 N ATOM 1750 NH2 ARG A 115 11.855 4.787 9.715 1.00 32.00 N ATOM 1751 HA ARG A 115 16.483 3.908 6.536 1.00 0.00 H ATOM 1752 HB2 ARG A 115 14.610 4.320 7.998 1.00 0.00 H ATOM 1753 HB3 ARG A 115 15.396 3.449 9.335 1.00 0.00 H ATOM 1754 HG2 ARG A 115 16.974 5.196 9.677 1.00 0.00 H ATOM 1755 HG3 ARG A 115 16.544 5.985 8.141 1.00 0.00 H ATOM 1756 HD2 ARG A 115 15.314 7.362 9.423 1.00 0.00 H ATOM 1757 HD3 ARG A 115 15.335 6.245 10.808 1.00 0.00 H ATOM 1758 HE ARG A 115 13.388 6.294 8.550 1.00 0.00 H ATOM 1759 HH12 ARG A 115 12.828 4.008 11.887 1.00 0.00 H ATOM 1760 HH11 ARG A 115 14.382 4.903 11.719 1.00 0.00 H ATOM 1761 HH22 ARG A 115 11.243 4.156 10.271 1.00 0.00 H ATOM 1762 HH21 ARG A 115 11.522 5.165 8.805 1.00 0.00 H ATOM 1763 H ARG A 115 14.975 1.733 7.592 1.00 0.00 H ATOM 1764 N ASN A 116 18.095 2.252 8.890 1.00 28.75 N ATOM 1765 CA ASN A 116 19.395 2.098 9.544 1.00 30.30 C ATOM 1766 C ASN A 116 20.342 1.220 8.749 1.00 31.11 C ATOM 1767 O ASN A 116 21.402 0.833 9.245 1.00 30.82 O ATOM 1768 CB ASN A 116 19.233 1.504 10.949 1.00 30.94 C ATOM 1769 CG ASN A 116 18.240 2.269 11.805 1.00 32.91 C ATOM 1770 OD1 ASN A 116 17.821 3.377 11.462 1.00 36.98 O ATOM 1771 ND2 ASN A 116 17.847 1.668 12.929 1.00 33.73 N ATOM 1772 HA ASN A 116 19.824 3.098 9.608 1.00 0.00 H ATOM 1773 HB2 ASN A 116 18.889 0.474 10.854 1.00 0.00 H ATOM 1774 HB3 ASN A 116 20.203 1.517 11.446 1.00 0.00 H ATOM 1775 HD22 ASN A 116 18.227 0.733 13.179 1.00 0.00 H ATOM 1776 HD21 ASN A 116 17.161 2.135 13.556 1.00 0.00 H ATOM 1777 H ASN A 116 17.332 1.581 9.114 1.00 0.00 H ATOM 1778 N SER A 117 19.988 0.916 7.507 1.00 32.04 N ATOM 1779 CA SER A 117 20.766 -0.029 6.714 1.00 33.70 C ATOM 1780 C SER A 117 21.753 0.736 5.817 1.00 34.41 C ATOM 1781 O SER A 117 22.834 0.253 5.457 1.00 34.95 O ATOM 1782 CB SER A 117 19.823 -0.949 5.920 1.00 33.76 C ATOM 1783 OG SER A 117 20.496 -1.583 4.852 1.00 36.90 O ATOM 1784 HA SER A 117 21.358 -0.671 7.366 1.00 0.00 H ATOM 1785 HB2 SER A 117 19.002 -0.354 5.519 1.00 0.00 H ATOM 1786 HB3 SER A 117 19.424 -1.711 6.590 1.00 0.00 H ATOM 1787 HG SER A 117 20.856 -0.896 4.236 1.00 0.00 H ATOM 1788 H SER A 117 19.143 1.358 7.093 1.00 0.00 H TER 1789 SER A 117 HETATM 1790 O HOH 1 4.003 -5.083 -7.186 1.00 19.22 O HETATM 1791 O HOH 2 6.352 4.991 -9.140 1.00 18.87 O HETATM 1792 O HOH 3 3.326 -8.444 15.992 1.00 14.84 O HETATM 1793 O HOH 4 6.548 5.245 3.863 1.00 16.52 O HETATM 1794 O HOH 5 -1.321 -8.232 4.982 1.00 25.16 O HETATM 1795 O HOH 6 -2.760 -2.291 8.334 1.00 16.35 O HETATM 1796 O HOH 7 6.344 7.863 -11.807 1.00 19.73 O HETATM 1797 O HOH 8 -2.011 -6.727 16.728 1.00 17.11 O HETATM 1798 O HOH 9 -2.028 5.669 16.595 1.00 22.21 O HETATM 1799 O HOH 10 0.099 9.113 -8.417 1.00 25.68 O HETATM 1800 O HOH 11 9.491 -14.306 -1.514 1.00 24.90 O HETATM 1801 O HOH 12 16.060 3.893 -9.589 1.00 21.49 O HETATM 1802 O HOH 13 9.928 16.006 -7.664 1.00 18.09 O HETATM 1803 O HOH 14 -3.351 -4.908 12.426 1.00 21.47 O HETATM 1804 O HOH 15 -9.623 2.175 3.850 1.00 25.15 O HETATM 1805 O HOH 16 7.607 -17.253 -4.337 1.00 22.05 O HETATM 1806 O HOH 17 -6.019 -1.739 6.863 1.00 26.49 O HETATM 1807 O HOH 18 4.380 8.726 13.051 1.00 29.72 O HETATM 1808 O HOH 19 0.043 -11.645 -1.149 1.00 22.29 O HETATM 1809 O HOH 20 1.159 -9.680 9.052 1.00 22.05 O HETATM 1810 O HOH 21 -3.539 -3.150 -4.956 1.00 23.56 O HETATM 1811 O HOH 22 -4.051 -2.772 10.877 1.00 22.13 O HETATM 1812 O HOH 23 1.449 10.371 11.446 1.00 29.62 O HETATM 1813 O HOH 24 9.717 3.607 10.938 1.00 25.94 O HETATM 1814 O HOH 25 14.133 4.266 -12.151 1.00 27.58 O HETATM 1815 O HOH 26 7.151 10.907 11.870 1.00 32.91 O HETATM 1816 O HOH 27 -2.862 -12.321 -0.418 1.00 33.92 O HETATM 1817 O HOH 28 8.943 9.839 -0.578 1.00 36.32 O HETATM 1818 O HOH 29 1.763 -1.398 15.920 1.00 26.23 O HETATM 1819 O HOH 30 -0.383 3.154 -7.249 1.00 33.46 O HETATM 1820 O HOH 31 -9.654 5.527 2.621 1.00 23.91 O HETATM 1821 O HOH 32 16.963 -14.181 -8.939 1.00 23.74 O HETATM 1822 O HOH 33 5.126 -9.338 -5.238 1.00 30.06 O HETATM 1823 O HOH 34 -4.593 15.835 9.589 1.00 27.90 O HETATM 1824 O HOH 35 16.363 4.679 -5.208 1.00 35.92 O HETATM 1825 O HOH 36 -1.323 21.428 3.761 1.00 28.42 O HETATM 1826 O HOH 37 6.447 -12.323 8.842 1.00 24.65 O HETATM 1827 O HOH 38 12.810 6.781 -9.343 1.00 31.33 O HETATM 1828 O HOH 39 -0.965 9.001 13.953 1.00 24.86 O HETATM 1829 O HOH 40 1.368 19.345 6.664 1.00 31.24 O HETATM 1830 O HOH 41 4.205 5.450 -10.833 1.00 30.27 O HETATM 1831 O HOH 42 8.043 5.468 6.373 1.00 28.50 O HETATM 1832 O HOH 43 1.294 10.907 -4.964 1.00 32.81 O HETATM 1833 O HOH 44 -7.211 15.248 8.153 1.00 32.70 O HETATM 1834 O HOH 45 3.656 -7.786 -7.057 1.00 30.12 O HETATM 1835 O HOH 46 -2.917 13.302 12.793 1.00 31.58 O HETATM 1836 O HOH 47 -1.848 -14.272 6.988 1.00 33.79 O HETATM 1837 O HOH 48 0.546 4.705 18.651 1.00 31.23 O HETATM 1838 O HOH 49 12.086 -14.051 4.979 1.00 25.78 O HETATM 1839 O HOH 50 -2.520 16.860 12.819 1.00 35.83 O HETATM 1840 O HOH 51 -4.356 -3.891 2.269 1.00 25.51 O HETATM 1841 O HOH 52 -4.042 9.421 13.673 1.00 32.51 O HETATM 1842 O HOH 53 -8.465 12.469 6.730 1.00 32.96 O HETATM 1843 O HOH 54 5.740 12.405 10.232 1.00 37.44 O HETATM 1844 O HOH 55 -0.689 12.525 12.688 1.00 34.87 O HETATM 1845 O HOH 56 2.511 -21.049 4.361 1.00 31.06 O HETATM 1846 O HOH 57 19.329 -11.645 3.480 1.00 31.69 O HETATM 1847 O HOH 58 -2.343 18.207 6.382 1.00 38.26 O HETATM 1848 O HOH 59 5.052 -1.499 16.274 1.00 27.28 O HETATM 1849 O HOH 60 5.861 -12.762 11.883 1.00 30.23 O HETATM 1850 O HOH 61 2.255 11.956 -8.086 1.00 40.79 O HETATM 1851 O HOH 62 -9.114 12.112 3.008 1.00 36.21 O HETATM 1852 O HOH 63 1.794 19.818 3.633 1.00 34.47 O HETATM 1853 O HOH 64 15.048 -6.653 13.543 1.00 38.12 O HETATM 1854 O HOH 65 6.134 16.732 -6.678 1.00 34.10 O HETATM 1855 O HOH 66 7.579 -15.764 0.542 1.00 47.63 O HETATM 1856 O HOH 67 -1.110 -9.996 2.531 1.00 29.59 O HETATM 1857 O HOH 68 13.830 -15.423 -5.324 1.00 34.99 O HETATM 1858 O HOH 69 9.854 -13.744 1.953 1.00 33.79 O HETATM 1859 O HOH 70 14.364 -3.145 13.097 1.00 33.79 O HETATM 1860 O HOH 71 19.699 -1.904 9.662 1.00 31.50 O HETATM 1861 O HOH 72 3.826 14.746 -6.612 1.00 39.18 O HETATM 1862 O HOH 73 4.115 16.575 3.614 1.00 41.44 O HETATM 1863 O HOH 74 19.014 -10.520 7.195 1.00 34.00 O HETATM 1864 O HOH 75 16.218 7.952 -1.227 1.00 35.82 O HETATM 1865 O HOH 76 0.677 17.495 8.632 1.00 32.95 O HETATM 1866 O HOH 77 22.332 -2.512 0.680 1.00 38.83 O HETATM 1867 O HOH 78 4.729 15.404 -0.977 1.00 41.19 O HETATM 1868 O HOH 79 18.872 10.342 -11.108 1.00 49.83 O HETATM 1869 O HOH 80 -9.502 8.460 6.949 1.00 30.61 O HETATM 1870 O HOH 81 19.889 -9.455 9.455 1.00 36.72 O HETATM 1871 O HOH 82 -3.763 3.833 17.529 1.00 34.04 O HETATM 1872 O HOH 83 16.416 -13.813 0.228 1.00 40.64 O HETATM 1873 O HOH 84 -5.910 5.607 17.665 1.00 46.07 O HETATM 1874 O HOH 85 17.019 9.406 -6.977 1.00 38.10 O HETATM 1875 O HOH 86 8.143 2.136 -12.805 1.00 39.85 O HETATM 1876 O HOH 87 8.879 3.735 -11.605 1.00 46.65 O HETATM 1877 O HOH 88 8.728 14.260 -4.407 1.00 30.86 O HETATM 1878 O HOH 89 4.932 -11.948 -6.131 1.00 31.59 O HETATM 1879 O HOH 90 -7.874 10.622 1.339 1.00 39.83 O HETATM 1880 O HOH 91 13.122 -14.713 7.955 1.00 44.99 O HETATM 1881 O HOH 92 -10.305 0.486 -2.846 1.00 45.82 O HETATM 1882 O HOH 93 16.471 -1.953 13.140 1.00 46.30 O HETATM 1883 O HOH 94 16.524 6.229 0.926 1.00 48.79 O HETATM 1884 O HOH 95 -2.498 8.098 15.856 1.00 39.58 O HETATM 1885 O HOH 96 4.099 -11.527 10.065 1.00 36.42 O HETATM 1886 O HOH 97 -3.803 -16.122 4.281 1.00 44.85 O HETATM 1887 O HOH 98 -1.587 10.605 -6.616 1.00 33.79 O HETATM 1888 O HOH 99 -2.620 12.273 -7.983 1.00 39.17 O HETATM 1889 O HOH 100 8.084 -3.882 17.877 1.00 42.92 O HETATM 1890 O HOH 101 -4.505 1.871 13.169 1.00 35.41 O HETATM 1891 O HOH 102 -5.321 9.208 -5.087 1.00 36.75 O HETATM 1892 O HOH 103 -8.687 -0.134 -1.205 1.00 40.50 O HETATM 1893 O HOH 104 3.441 6.968 -12.225 1.00 33.83 O HETATM 1894 O HOH 105 2.569 8.515 -14.769 1.00 38.58 O HETATM 1895 O HOH 106 -6.815 6.334 -4.115 1.00 40.83 O HETATM 1896 O HOH 107 0.142 5.279 -9.231 1.00 40.45 O HETATM 1897 O HOH 108 0.457 13.345 -8.531 1.00 42.57 O HETATM 1898 O HOH 109 15.065 6.156 -8.754 1.00 32.06 O HETATM 1899 O HOH 110 -5.920 -2.426 15.185 1.00 30.90 O HETATM 1900 O HOH 111 6.501 -14.979 8.337 1.00 42.41 O HETATM 1901 O HOH 112 -4.605 1.840 15.931 1.00 42.29 O HETATM 1902 O HOH 113 10.565 4.904 6.522 1.00 40.25 O HETATM 1903 O HOH 114 -5.448 -1.037 12.430 1.00 38.11 O HETATM 1904 O HOH 115 17.231 14.377 -9.452 1.00 50.79 O HETATM 1905 O HOH 116 18.474 13.265 -7.657 1.00 55.05 O HETATM 1906 O HOH 117 0.888 -7.855 -1.037 1.00 14.96 O HETATM 1907 O HOH 118 14.260 -15.237 -1.445 1.00 40.16 O HETATM 1908 O HOH 119 15.967 16.765 -6.846 1.00 43.14 O HETATM 1909 O HOH 120 13.730 -13.495 10.756 1.00 39.70 O HETATM 1910 O HOH 121 -8.826 10.865 -5.614 1.00 46.89 O HETATM 1911 O HOH 122 2.415 -9.877 -5.358 1.00 47.33 O HETATM 1912 O HOH 123 8.721 6.253 -11.721 1.00 39.65 O HETATM 1913 O HOH 124 25.072 5.579 -5.485 1.00 43.34 O HETATM 1914 O HOH 125 13.049 4.726 3.750 1.00 41.30 O HETATM 1915 C4 HBS A 126 11.050 0.597 3.204 1.00 -0.02 C HETATM 1916 C3 HBS A 126 10.740 1.283 1.875 1.00 0.12 C HETATM 1917 O7 HBS A 126 9.828 2.342 2.157 1.00 -0.37 O HETATM 1918 H5 HBS A 126 9.611 2.794 1.350 1.00 0.21 H HETATM 1919 C2 HBS A 126 10.172 0.331 0.834 1.00 0.13 C HETATM 1920 C1 HBS A 126 8.846 -0.324 1.068 1.00 0.01 C HETATM 1921 H6 HBS A 126 8.602 -0.973 0.214 1.00 0.05 H HETATM 1922 H7 HBS A 126 8.070 0.448 1.176 1.00 0.05 H HETATM 1923 H8 HBS A 126 8.893 -0.928 1.986 1.00 0.05 H HETATM 1924 O2 HBS A 126 10.787 0.115 -0.216 1.00 -0.39 O HETATM 1925 H4 HBS A 126 11.671 1.708 1.472 1.00 0.08 H HETATM 1926 H1 HBS A 126 11.754 -0.231 3.034 1.00 0.03 H HETATM 1927 H2 HBS A 126 10.120 0.204 3.639 1.00 0.03 H HETATM 1928 H3 HBS A 126 11.500 1.324 3.896 1.00 0.03 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 263 262 723 CONECT 665 664 1577 CONECT 723 263 722 CONECT 1408 1407 1719 CONECT 1577 665 1576 CONECT 1719 1408 1718 CONECT 1915 1916 1926 1927 1928 CONECT 1916 1915 1917 1919 1925 CONECT 1917 1916 1918 CONECT 1918 1917 CONECT 1919 1916 1920 1924 CONECT 1920 1919 1921 1922 1923 CONECT 1921 1920 CONECT 1922 1920 CONECT 1923 1920 CONECT 1924 1919 CONECT 1925 1916 CONECT 1926 1915 CONECT 1927 1915 CONECT 1928 1915 MASTER 0 0 0 0 0 0 0 0 1927 1 24 10 END
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Structure:
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Protein
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Related entries of code: 1p28
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ow4
RCSB PDB
PDBbind
129aa, >1OW4_1|Chains... *
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
1p28
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
pheromone binding protein
Ligand Name
HBS/HBR
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=3.8uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v278 pp. 30213-8, 2003
Ligand Properties
Formula
C
4
H
8
O
2
Molecular Weight
88.105
Exact Mass
88.052
No. of atoms
14
No. of bonds
13
Polar Surface Area
37.3
LOGP Value
-0.30 (
Computed with XLOGP3
)
-0.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CC(=O)[C@@H](O)C
InChI String
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8MTC1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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