Browse entries in the PDBbind-CN Database
HEADER 6V5L_COMPLEX COMPND 6V5L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 169 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY SEQRES 2 A 169 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 169 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 169 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU SEQRES 5 A 169 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER SEQRES 6 A 169 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 169 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 169 ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 169 ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 169 CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA SEQRES 11 A 169 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU SEQRES 12 A 169 THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE SEQRES 13 A 169 TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU LYS HET MG A 1 1 HET QPD A 171 40 ATOM 1 N MET A 1 20.261 9.792 7.789 1.00 0.55 N ATOM 2 CA MET A 1 18.874 9.695 7.280 1.00 0.44 C ATOM 3 C MET A 1 18.718 8.469 6.390 1.00 0.43 C ATOM 4 O MET A 1 19.287 8.406 5.296 1.00 0.60 O ATOM 5 CB MET A 1 18.504 10.957 6.489 1.00 0.50 C ATOM 6 CG MET A 1 17.045 11.002 6.045 1.00 0.53 C ATOM 7 SD MET A 1 16.669 12.436 5.017 1.00 1.04 S ATOM 8 CE MET A 1 16.953 13.782 6.172 1.00 1.48 C ATOM 9 HN3 MET A 1 20.919 9.870 6.987 1.00 0.00 H ATOM 10 HN2 MET A 1 20.486 8.941 8.342 1.00 0.00 H ATOM 11 HN1 MET A 1 20.349 10.633 8.394 1.00 0.00 H ATOM 12 N THR A 2 17.960 7.493 6.865 1.00 0.36 N ATOM 13 CA THR A 2 17.727 6.276 6.109 1.00 0.41 C ATOM 14 C THR A 2 16.554 6.452 5.151 1.00 0.33 C ATOM 15 O THR A 2 15.593 7.159 5.455 1.00 0.35 O ATOM 16 CB THR A 2 17.453 5.093 7.051 1.00 0.57 C ATOM 17 OG1 THR A 2 16.958 5.584 8.302 1.00 1.04 O ATOM 18 CG2 THR A 2 18.718 4.279 7.285 1.00 0.91 C ATOM 19 HG1 THR A 2 16.119 6.086 8.149 1.00 0.00 H ATOM 20 H THR A 2 17.521 7.601 7.802 1.00 0.00 H ATOM 21 N GLU A 3 16.647 5.821 3.993 1.00 0.31 N ATOM 22 CA GLU A 3 15.598 5.905 2.990 1.00 0.26 C ATOM 23 C GLU A 3 14.798 4.604 2.939 1.00 0.24 C ATOM 24 O GLU A 3 15.366 3.510 2.892 1.00 0.37 O ATOM 25 CB GLU A 3 16.208 6.213 1.617 1.00 0.37 C ATOM 26 CG GLU A 3 15.191 6.265 0.485 1.00 0.42 C ATOM 27 CD GLU A 3 15.834 6.499 -0.865 1.00 0.62 C ATOM 28 OE1 GLU A 3 16.244 7.644 -1.152 1.00 1.15 O ATOM 29 OE2 GLU A 3 15.934 5.538 -1.657 1.00 1.27 O ATOM 30 H GLU A 3 17.493 5.249 3.794 1.00 0.00 H ATOM 31 N TYR A 4 13.481 4.728 2.958 1.00 0.19 N ATOM 32 CA TYR A 4 12.599 3.574 2.904 1.00 0.25 C ATOM 33 C TYR A 4 11.774 3.610 1.634 1.00 0.21 C ATOM 34 O TYR A 4 10.982 4.532 1.425 1.00 0.21 O ATOM 35 CB TYR A 4 11.677 3.540 4.122 1.00 0.37 C ATOM 36 CG TYR A 4 12.377 3.110 5.390 1.00 0.53 C ATOM 37 CD1 TYR A 4 12.240 1.817 5.881 1.00 0.91 C ATOM 38 CD2 TYR A 4 13.177 3.996 6.098 1.00 0.78 C ATOM 39 CE1 TYR A 4 12.875 1.425 7.044 1.00 1.06 C ATOM 40 CE2 TYR A 4 13.816 3.609 7.256 1.00 0.93 C ATOM 41 CZ TYR A 4 13.661 2.328 7.726 1.00 0.91 C ATOM 42 OH TYR A 4 14.288 1.955 8.889 1.00 1.11 O ATOM 43 HH TYR A 4 14.076 1.009 9.088 1.00 0.00 H ATOM 44 H TYR A 4 13.064 5.679 3.013 1.00 0.00 H ATOM 45 N LYS A 5 11.973 2.619 0.782 1.00 0.24 N ATOM 46 CA LYS A 5 11.256 2.544 -0.479 1.00 0.26 C ATOM 47 C LYS A 5 10.050 1.619 -0.351 1.00 0.24 C ATOM 48 O LYS A 5 10.195 0.401 -0.218 1.00 0.29 O ATOM 49 CB LYS A 5 12.192 2.072 -1.593 1.00 0.40 C ATOM 50 CG LYS A 5 13.419 2.958 -1.745 1.00 0.81 C ATOM 51 CD LYS A 5 14.341 2.477 -2.854 1.00 0.65 C ATOM 52 CE LYS A 5 13.806 2.829 -4.232 1.00 0.62 C ATOM 53 NZ LYS A 5 13.727 4.299 -4.449 1.00 0.71 N ATOM 54 HZ1 LYS A 5 13.093 4.719 -3.740 1.00 0.00 H ATOM 55 HZ2 LYS A 5 14.676 4.713 -4.356 1.00 0.00 H ATOM 56 HZ3 LYS A 5 13.357 4.488 -5.402 1.00 0.00 H ATOM 57 H LYS A 5 12.660 1.875 1.020 1.00 0.00 H ATOM 58 N LEU A 6 8.862 2.207 -0.398 1.00 0.26 N ATOM 59 CA LEU A 6 7.622 1.455 -0.274 1.00 0.33 C ATOM 60 C LEU A 6 6.682 1.757 -1.434 1.00 0.27 C ATOM 61 O LEU A 6 6.594 2.892 -1.902 1.00 0.29 O ATOM 62 CB LEU A 6 6.932 1.770 1.059 1.00 0.45 C ATOM 63 CG LEU A 6 6.960 3.240 1.487 1.00 0.70 C ATOM 64 CD1 LEU A 6 5.585 3.691 1.953 1.00 1.39 C ATOM 65 CD2 LEU A 6 7.980 3.447 2.595 1.00 1.08 C ATOM 66 H LEU A 6 8.815 3.238 -0.528 1.00 0.00 H ATOM 67 N VAL A 7 5.971 0.739 -1.893 1.00 0.26 N ATOM 68 CA VAL A 7 5.048 0.901 -3.007 1.00 0.26 C ATOM 69 C VAL A 7 3.635 0.505 -2.607 1.00 0.30 C ATOM 70 O VAL A 7 3.424 -0.519 -1.954 1.00 0.39 O ATOM 71 CB VAL A 7 5.468 0.052 -4.232 1.00 0.32 C ATOM 72 CG1 VAL A 7 4.638 0.416 -5.457 1.00 0.81 C ATOM 73 CG2 VAL A 7 6.952 0.211 -4.525 1.00 0.74 C ATOM 74 H VAL A 7 6.074 -0.196 -1.449 1.00 0.00 H ATOM 75 N VAL A 8 2.673 1.330 -2.976 1.00 0.28 N ATOM 76 CA VAL A 8 1.283 1.043 -2.690 1.00 0.33 C ATOM 77 C VAL A 8 0.686 0.333 -3.895 1.00 0.37 C ATOM 78 O VAL A 8 0.426 0.956 -4.927 1.00 0.41 O ATOM 79 CB VAL A 8 0.476 2.323 -2.375 1.00 0.37 C ATOM 80 CG1 VAL A 8 -0.992 2.000 -2.128 1.00 0.44 C ATOM 81 CG2 VAL A 8 1.073 3.041 -1.175 1.00 0.37 C ATOM 82 H VAL A 8 2.919 2.204 -3.483 1.00 0.00 H ATOM 83 N VAL A 9 0.506 -0.970 -3.776 1.00 0.40 N ATOM 84 CA VAL A 9 -0.028 -1.774 -4.866 1.00 0.46 C ATOM 85 C VAL A 9 -1.436 -2.259 -4.558 1.00 0.52 C ATOM 86 O VAL A 9 -1.772 -2.532 -3.404 1.00 0.70 O ATOM 87 CB VAL A 9 0.864 -2.996 -5.154 1.00 0.49 C ATOM 88 CG1 VAL A 9 2.078 -2.584 -5.974 1.00 0.51 C ATOM 89 CG2 VAL A 9 1.288 -3.678 -3.855 1.00 0.59 C ATOM 90 H VAL A 9 0.753 -1.435 -2.879 1.00 0.00 H ATOM 91 N GLY A 10 -2.255 -2.369 -5.589 1.00 0.44 N ATOM 92 CA GLY A 10 -3.613 -2.822 -5.408 1.00 0.51 C ATOM 93 C GLY A 10 -4.433 -2.594 -6.644 1.00 0.51 C ATOM 94 O GLY A 10 -3.898 -2.172 -7.670 1.00 0.53 O ATOM 95 H GLY A 10 -1.917 -2.126 -6.542 1.00 0.00 H ATOM 96 N ALA A 11 -5.719 -2.880 -6.556 1.00 0.52 N ATOM 97 CA ALA A 11 -6.624 -2.701 -7.682 1.00 0.53 C ATOM 98 C ALA A 11 -6.904 -1.221 -7.940 1.00 0.50 C ATOM 99 O ALA A 11 -6.736 -0.379 -7.055 1.00 0.50 O ATOM 100 CB ALA A 11 -7.923 -3.457 -7.434 1.00 0.58 C ATOM 101 H ALA A 11 -6.096 -3.243 -5.657 1.00 0.00 H ATOM 102 N GLY A 12 -7.322 -0.909 -9.154 1.00 0.55 N ATOM 103 CA GLY A 12 -7.612 0.464 -9.501 1.00 0.54 C ATOM 104 C GLY A 12 -8.934 0.923 -8.928 1.00 0.54 C ATOM 105 O GLY A 12 -9.928 0.201 -8.998 1.00 0.80 O ATOM 106 H GLY A 12 -7.443 -1.657 -9.866 1.00 0.00 H ATOM 107 N GLY A 13 -8.939 2.111 -8.344 1.00 0.34 N ATOM 108 CA GLY A 13 -10.159 2.656 -7.780 1.00 0.40 C ATOM 109 C GLY A 13 -10.294 2.423 -6.289 1.00 0.40 C ATOM 110 O GLY A 13 -11.299 2.816 -5.689 1.00 0.42 O ATOM 111 H GLY A 13 -8.058 2.660 -8.289 1.00 0.00 H ATOM 112 N VAL A 14 -9.291 1.803 -5.676 1.00 0.39 N ATOM 113 CA VAL A 14 -9.349 1.535 -4.242 1.00 0.41 C ATOM 114 C VAL A 14 -9.002 2.787 -3.439 1.00 0.44 C ATOM 115 O VAL A 14 -9.414 2.928 -2.291 1.00 0.57 O ATOM 116 CB VAL A 14 -8.431 0.369 -3.813 1.00 0.42 C ATOM 117 CG1 VAL A 14 -8.833 -0.909 -4.528 1.00 0.41 C ATOM 118 CG2 VAL A 14 -6.960 0.681 -4.060 1.00 0.43 C ATOM 119 H VAL A 14 -8.457 1.506 -6.223 1.00 0.00 H ATOM 120 N GLY A 15 -8.256 3.704 -4.054 1.00 0.39 N ATOM 121 CA GLY A 15 -7.883 4.934 -3.375 1.00 0.42 C ATOM 122 C GLY A 15 -6.399 5.041 -3.093 1.00 0.43 C ATOM 123 O GLY A 15 -5.998 5.771 -2.188 1.00 0.49 O ATOM 124 H GLY A 15 -7.937 3.538 -5.030 1.00 0.00 H ATOM 125 N LYS A 16 -5.585 4.358 -3.899 1.00 0.41 N ATOM 126 CA LYS A 16 -4.130 4.362 -3.719 1.00 0.45 C ATOM 127 C LYS A 16 -3.566 5.782 -3.667 1.00 0.47 C ATOM 128 O LYS A 16 -2.908 6.164 -2.697 1.00 0.58 O ATOM 129 CB LYS A 16 -3.445 3.581 -4.847 1.00 0.46 C ATOM 130 CG LYS A 16 -3.856 2.118 -4.909 1.00 0.65 C ATOM 131 CD LYS A 16 -3.030 1.331 -5.918 1.00 0.79 C ATOM 132 CE LYS A 16 -3.638 1.396 -7.311 1.00 0.78 C ATOM 133 NZ LYS A 16 -2.895 0.553 -8.289 1.00 0.81 N ATOM 134 HZ1 LYS A 16 -1.910 0.881 -8.350 1.00 0.00 H ATOM 135 HZ2 LYS A 16 -2.912 -0.438 -7.974 1.00 0.00 H ATOM 136 HZ3 LYS A 16 -3.346 0.629 -9.223 1.00 0.00 H ATOM 137 H LYS A 16 -5.995 3.806 -4.679 1.00 0.00 H ATOM 138 N SER A 17 -3.855 6.561 -4.708 1.00 0.40 N ATOM 139 CA SER A 17 -3.365 7.936 -4.812 1.00 0.41 C ATOM 140 C SER A 17 -3.840 8.807 -3.641 1.00 0.40 C ATOM 141 O SER A 17 -3.024 9.413 -2.951 1.00 0.58 O ATOM 142 CB SER A 17 -3.807 8.569 -6.142 1.00 0.43 C ATOM 143 OG SER A 17 -3.857 7.608 -7.201 1.00 0.44 O ATOM 144 HG SER A 17 -2.958 7.213 -7.329 1.00 0.00 H ATOM 145 H SER A 17 -4.448 6.180 -5.472 1.00 0.00 H ATOM 146 N ALA A 18 -5.152 8.834 -3.405 1.00 0.41 N ATOM 147 CA ALA A 18 -5.740 9.657 -2.341 1.00 0.40 C ATOM 148 C ALA A 18 -5.139 9.364 -0.965 1.00 0.41 C ATOM 149 O ALA A 18 -4.827 10.287 -0.208 1.00 0.43 O ATOM 150 CB ALA A 18 -7.249 9.465 -2.310 1.00 0.43 C ATOM 151 H ALA A 18 -5.780 8.252 -3.995 1.00 0.00 H ATOM 152 N LEU A 19 -4.960 8.087 -0.654 1.00 0.44 N ATOM 153 CA LEU A 19 -4.410 7.685 0.636 1.00 0.50 C ATOM 154 C LEU A 19 -3.013 8.260 0.856 1.00 0.48 C ATOM 155 O LEU A 19 -2.689 8.731 1.947 1.00 0.51 O ATOM 156 CB LEU A 19 -4.369 6.157 0.737 1.00 0.60 C ATOM 157 CG LEU A 19 -5.717 5.484 1.003 1.00 0.76 C ATOM 158 CD1 LEU A 19 -5.635 4.003 0.692 1.00 0.92 C ATOM 159 CD2 LEU A 19 -6.140 5.694 2.448 1.00 0.79 C ATOM 160 H LEU A 19 -5.218 7.355 -1.346 1.00 0.00 H ATOM 161 N THR A 20 -2.199 8.244 -0.187 1.00 0.49 N ATOM 162 CA THR A 20 -0.838 8.747 -0.093 1.00 0.54 C ATOM 163 C THR A 20 -0.799 10.276 -0.108 1.00 0.49 C ATOM 164 O THR A 20 -0.131 10.892 0.720 1.00 0.50 O ATOM 165 CB THR A 20 0.026 8.197 -1.240 1.00 0.64 C ATOM 166 OG1 THR A 20 -0.158 6.780 -1.334 1.00 0.89 O ATOM 167 CG2 THR A 20 1.496 8.515 -1.017 1.00 0.74 C ATOM 168 HG1 THR A 20 -1.112 6.583 -1.513 1.00 0.00 H ATOM 169 H THR A 20 -2.540 7.864 -1.093 1.00 0.00 H ATOM 170 N ILE A 21 -1.543 10.881 -1.032 1.00 0.48 N ATOM 171 CA ILE A 21 -1.578 12.337 -1.168 1.00 0.50 C ATOM 172 C ILE A 21 -2.078 13.010 0.109 1.00 0.43 C ATOM 173 O ILE A 21 -1.707 14.144 0.414 1.00 0.43 O ATOM 174 CB ILE A 21 -2.452 12.763 -2.371 1.00 0.59 C ATOM 175 CG1 ILE A 21 -1.897 12.157 -3.663 1.00 0.63 C ATOM 176 CG2 ILE A 21 -2.517 14.279 -2.481 1.00 0.79 C ATOM 177 CD1 ILE A 21 -2.761 12.410 -4.882 1.00 0.76 C ATOM 178 H ILE A 21 -2.117 10.301 -1.677 1.00 0.00 H ATOM 179 N GLN A 22 -2.895 12.299 0.867 1.00 0.41 N ATOM 180 CA GLN A 22 -3.435 12.823 2.115 1.00 0.37 C ATOM 181 C GLN A 22 -2.321 13.097 3.126 1.00 0.37 C ATOM 182 O GLN A 22 -2.382 14.058 3.886 1.00 0.46 O ATOM 183 CB GLN A 22 -4.433 11.836 2.705 1.00 0.40 C ATOM 184 CG GLN A 22 -5.870 12.333 2.706 1.00 0.43 C ATOM 185 CD GLN A 22 -6.199 13.188 3.914 1.00 0.36 C ATOM 186 OE1 GLN A 22 -5.371 13.952 4.398 1.00 0.35 O ATOM 187 NE2 GLN A 22 -7.417 13.054 4.413 1.00 0.41 N ATOM 188 HE22 GLN A 22 -8.090 12.395 3.972 1.00 0.00 H ATOM 189 HE21 GLN A 22 -7.702 13.608 5.246 1.00 0.00 H ATOM 190 H GLN A 22 -3.160 11.340 0.565 1.00 0.00 H ATOM 191 N LEU A 23 -1.291 12.259 3.113 1.00 0.41 N ATOM 192 CA LEU A 23 -0.172 12.411 4.041 1.00 0.44 C ATOM 193 C LEU A 23 0.938 13.272 3.438 1.00 0.40 C ATOM 194 O LEU A 23 1.912 13.616 4.112 1.00 0.49 O ATOM 195 CB LEU A 23 0.382 11.040 4.444 1.00 0.54 C ATOM 196 CG LEU A 23 -0.350 10.350 5.608 1.00 1.06 C ATOM 197 CD1 LEU A 23 -1.713 9.834 5.167 1.00 1.37 C ATOM 198 CD2 LEU A 23 0.500 9.216 6.165 1.00 1.25 C ATOM 199 H LEU A 23 -1.280 11.477 2.427 1.00 0.00 H ATOM 200 N ILE A 24 0.786 13.623 2.168 1.00 0.37 N ATOM 201 CA ILE A 24 1.778 14.436 1.476 1.00 0.39 C ATOM 202 C ILE A 24 1.312 15.883 1.350 1.00 0.46 C ATOM 203 O ILE A 24 2.080 16.813 1.579 1.00 0.58 O ATOM 204 CB ILE A 24 2.087 13.867 0.072 1.00 0.40 C ATOM 205 CG1 ILE A 24 2.651 12.447 0.187 1.00 0.39 C ATOM 206 CG2 ILE A 24 3.055 14.772 -0.676 1.00 0.47 C ATOM 207 CD1 ILE A 24 4.028 12.372 0.820 1.00 0.37 C ATOM 208 H ILE A 24 -0.062 13.310 1.653 1.00 0.00 H ATOM 209 N GLN A 25 0.047 16.069 0.999 1.00 0.46 N ATOM 210 CA GLN A 25 -0.500 17.407 0.825 1.00 0.55 C ATOM 211 C GLN A 25 -1.407 17.801 1.988 1.00 0.50 C ATOM 212 O GLN A 25 -1.899 18.927 2.045 1.00 0.58 O ATOM 213 CB GLN A 25 -1.250 17.497 -0.502 1.00 0.65 C ATOM 214 CG GLN A 25 -0.335 17.532 -1.713 1.00 0.82 C ATOM 215 CD GLN A 25 -1.099 17.596 -3.019 1.00 1.04 C ATOM 216 OE1 GLN A 25 -2.239 18.069 -3.070 1.00 1.68 O ATOM 217 NE2 GLN A 25 -0.474 17.138 -4.090 1.00 1.38 N ATOM 218 HE22 GLN A 25 0.486 16.747 -4.005 1.00 0.00 H ATOM 219 HE21 GLN A 25 -0.942 17.168 -5.018 1.00 0.00 H ATOM 220 H GLN A 25 -0.566 15.243 0.845 1.00 0.00 H ATOM 221 N ASN A 26 -1.634 16.859 2.901 1.00 0.44 N ATOM 222 CA ASN A 26 -2.452 17.086 4.101 1.00 0.49 C ATOM 223 C ASN A 26 -3.917 17.392 3.778 1.00 0.46 C ATOM 224 O ASN A 26 -4.565 18.174 4.478 1.00 0.58 O ATOM 225 CB ASN A 26 -1.846 18.215 4.946 1.00 0.61 C ATOM 226 CG ASN A 26 -2.349 18.218 6.380 1.00 1.02 C ATOM 227 OD1 ASN A 26 -2.666 17.170 6.945 1.00 1.40 O ATOM 228 ND2 ASN A 26 -2.431 19.397 6.977 1.00 1.60 N ATOM 229 HD22 ASN A 26 -2.154 20.259 6.466 1.00 0.00 H ATOM 230 HD21 ASN A 26 -2.773 19.461 7.957 1.00 0.00 H ATOM 231 H ASN A 26 -1.213 15.919 2.759 1.00 0.00 H ATOM 232 N HIS A 27 -4.448 16.765 2.734 1.00 0.41 N ATOM 233 CA HIS A 27 -5.846 16.965 2.359 1.00 0.44 C ATOM 234 C HIS A 27 -6.322 15.854 1.430 1.00 0.43 C ATOM 235 O HIS A 27 -5.524 15.223 0.732 1.00 0.46 O ATOM 236 CB HIS A 27 -6.081 18.348 1.721 1.00 0.51 C ATOM 237 CG HIS A 27 -5.647 18.470 0.290 1.00 0.55 C ATOM 238 ND1 HIS A 27 -6.530 18.476 -0.772 1.00 0.61 N ATOM 239 CD2 HIS A 27 -4.421 18.614 -0.245 1.00 0.67 C ATOM 240 CE1 HIS A 27 -5.856 18.612 -1.901 1.00 0.69 C ATOM 241 NE2 HIS A 27 -4.573 18.694 -1.606 1.00 0.74 N ATOM 242 H HIS A 27 -3.857 16.119 2.173 1.00 0.00 H ATOM 243 N PHE A 28 -7.625 15.617 1.440 1.00 0.44 N ATOM 244 CA PHE A 28 -8.230 14.582 0.619 1.00 0.45 C ATOM 245 C PHE A 28 -8.589 15.114 -0.762 1.00 0.45 C ATOM 246 O PHE A 28 -9.221 16.166 -0.897 1.00 0.52 O ATOM 247 CB PHE A 28 -9.475 14.029 1.317 1.00 0.52 C ATOM 248 CG PHE A 28 -10.261 13.046 0.491 1.00 0.47 C ATOM 249 CD1 PHE A 28 -9.679 11.870 0.039 1.00 0.48 C ATOM 250 CD2 PHE A 28 -11.585 13.296 0.171 1.00 0.60 C ATOM 251 CE1 PHE A 28 -10.404 10.966 -0.715 1.00 0.49 C ATOM 252 CE2 PHE A 28 -12.314 12.395 -0.582 1.00 0.60 C ATOM 253 CZ PHE A 28 -11.724 11.230 -1.025 1.00 0.48 C ATOM 254 H PHE A 28 -8.236 16.191 2.056 1.00 0.00 H ATOM 255 N VAL A 29 -8.148 14.391 -1.777 1.00 0.46 N ATOM 256 CA VAL A 29 -8.427 14.743 -3.158 1.00 0.49 C ATOM 257 C VAL A 29 -9.616 13.921 -3.651 1.00 0.52 C ATOM 258 O VAL A 29 -9.573 12.688 -3.648 1.00 0.61 O ATOM 259 CB VAL A 29 -7.201 14.499 -4.068 1.00 0.53 C ATOM 260 CG1 VAL A 29 -7.477 14.968 -5.488 1.00 0.55 C ATOM 261 CG2 VAL A 29 -5.969 15.195 -3.511 1.00 0.64 C ATOM 262 H VAL A 29 -7.582 13.541 -1.580 1.00 0.00 H ATOM 263 N ASP A 30 -10.671 14.611 -4.070 1.00 0.55 N ATOM 264 CA ASP A 30 -11.894 13.961 -4.537 1.00 0.63 C ATOM 265 C ASP A 30 -11.722 13.414 -5.947 1.00 0.60 C ATOM 266 O ASP A 30 -12.177 12.315 -6.260 1.00 0.72 O ATOM 267 CB ASP A 30 -13.058 14.956 -4.501 1.00 0.75 C ATOM 268 CG ASP A 30 -14.409 14.275 -4.580 1.00 0.93 C ATOM 269 OD1 ASP A 30 -15.075 14.382 -5.634 1.00 1.12 O ATOM 270 OD2 ASP A 30 -14.816 13.639 -3.583 1.00 0.99 O ATOM 271 H ASP A 30 -10.625 15.650 -4.066 1.00 0.00 H ATOM 272 N GLU A 31 -11.056 14.181 -6.796 1.00 0.54 N ATOM 273 CA GLU A 31 -10.831 13.774 -8.174 1.00 0.59 C ATOM 274 C GLU A 31 -9.349 13.863 -8.523 1.00 0.53 C ATOM 275 O GLU A 31 -8.756 14.942 -8.495 1.00 0.53 O ATOM 276 CB GLU A 31 -11.658 14.643 -9.126 1.00 0.69 C ATOM 277 CG GLU A 31 -11.618 14.189 -10.579 1.00 0.83 C ATOM 278 CD GLU A 31 -12.032 12.743 -10.760 1.00 0.99 C ATOM 279 OE1 GLU A 31 -11.146 11.887 -10.946 1.00 1.18 O ATOM 280 OE2 GLU A 31 -13.247 12.447 -10.722 1.00 1.16 O ATOM 281 H GLU A 31 -10.685 15.096 -6.470 1.00 0.00 H ATOM 282 N TYR A 32 -8.761 12.724 -8.857 1.00 0.50 N ATOM 283 CA TYR A 32 -7.349 12.653 -9.207 1.00 0.46 C ATOM 284 C TYR A 32 -7.158 11.636 -10.318 1.00 0.44 C ATOM 285 O TYR A 32 -7.852 10.617 -10.352 1.00 0.48 O ATOM 286 CB TYR A 32 -6.505 12.270 -7.983 1.00 0.46 C ATOM 287 CG TYR A 32 -5.019 12.520 -8.158 1.00 0.46 C ATOM 288 CD1 TYR A 32 -4.471 13.769 -7.896 1.00 0.51 C ATOM 289 CD2 TYR A 32 -4.166 11.507 -8.584 1.00 0.46 C ATOM 290 CE1 TYR A 32 -3.121 14.002 -8.052 1.00 0.55 C ATOM 291 CE2 TYR A 32 -2.814 11.733 -8.743 1.00 0.50 C ATOM 292 CZ TYR A 32 -2.297 12.980 -8.473 1.00 0.54 C ATOM 293 OH TYR A 32 -0.953 13.208 -8.630 1.00 0.60 O ATOM 294 HH TYR A 32 -0.445 12.601 -8.035 1.00 0.00 H ATOM 295 H TYR A 32 -9.326 11.851 -8.870 1.00 0.00 H ATOM 296 N ASP A 33 -6.232 11.917 -11.227 1.00 0.43 N ATOM 297 CA ASP A 33 -5.960 11.021 -12.348 1.00 0.42 C ATOM 298 C ASP A 33 -5.568 9.628 -11.858 1.00 0.39 C ATOM 299 O ASP A 33 -4.631 9.475 -11.071 1.00 0.42 O ATOM 300 CB ASP A 33 -4.857 11.591 -13.238 1.00 0.50 C ATOM 301 CG ASP A 33 -4.740 10.861 -14.562 1.00 0.55 C ATOM 302 OD1 ASP A 33 -4.352 9.679 -14.561 1.00 0.80 O ATOM 303 OD2 ASP A 33 -5.035 11.471 -15.612 1.00 0.60 O ATOM 304 H ASP A 33 -5.686 12.798 -11.139 1.00 0.00 H ATOM 305 N PRO A 34 -6.295 8.595 -12.308 1.00 0.38 N ATOM 306 CA PRO A 34 -6.036 7.208 -11.913 1.00 0.41 C ATOM 307 C PRO A 34 -4.916 6.538 -12.711 1.00 0.42 C ATOM 308 O PRO A 34 -4.414 5.483 -12.316 1.00 0.52 O ATOM 309 CB PRO A 34 -7.374 6.535 -12.195 1.00 0.50 C ATOM 310 CG PRO A 34 -7.934 7.278 -13.356 1.00 0.49 C ATOM 311 CD PRO A 34 -7.452 8.699 -13.224 1.00 0.42 C ATOM 312 N THR A 35 -4.508 7.144 -13.815 1.00 0.37 N ATOM 313 CA THR A 35 -3.460 6.563 -14.640 1.00 0.42 C ATOM 314 C THR A 35 -2.097 7.189 -14.349 1.00 0.40 C ATOM 315 O THR A 35 -1.095 6.834 -14.971 1.00 0.41 O ATOM 316 CB THR A 35 -3.794 6.689 -16.142 1.00 0.52 C ATOM 317 OG1 THR A 35 -4.125 8.046 -16.477 1.00 0.74 O ATOM 318 CG2 THR A 35 -4.961 5.787 -16.508 1.00 0.89 C ATOM 319 HG1 THR A 35 -4.912 8.333 -15.949 1.00 0.00 H ATOM 320 H THR A 35 -4.942 8.046 -14.096 1.00 0.00 H ATOM 321 N ILE A 36 -2.063 8.120 -13.404 1.00 0.45 N ATOM 322 CA ILE A 36 -0.819 8.770 -13.026 1.00 0.48 C ATOM 323 C ILE A 36 -0.059 7.915 -12.015 1.00 0.47 C ATOM 324 O ILE A 36 -0.636 7.413 -11.040 1.00 0.54 O ATOM 325 CB ILE A 36 -1.060 10.189 -12.450 1.00 0.54 C ATOM 326 CG1 ILE A 36 -1.310 11.185 -13.589 1.00 0.62 C ATOM 327 CG2 ILE A 36 0.115 10.646 -11.588 1.00 0.65 C ATOM 328 CD1 ILE A 36 -1.483 12.622 -13.129 1.00 0.73 C ATOM 329 H ILE A 36 -2.945 8.390 -12.924 1.00 0.00 H ATOM 330 N GLU A 37 1.225 7.733 -12.278 1.00 0.49 N ATOM 331 CA GLU A 37 2.097 6.963 -11.410 1.00 0.48 C ATOM 332 C GLU A 37 3.253 7.847 -10.954 1.00 0.50 C ATOM 333 O GLU A 37 4.343 7.821 -11.532 1.00 0.79 O ATOM 334 CB GLU A 37 2.610 5.722 -12.145 1.00 0.51 C ATOM 335 CG GLU A 37 3.189 4.656 -11.228 1.00 0.57 C ATOM 336 CD GLU A 37 3.091 3.263 -11.816 1.00 0.59 C ATOM 337 OE1 GLU A 37 1.964 2.823 -12.128 1.00 0.64 O ATOM 338 OE2 GLU A 37 4.134 2.598 -11.964 1.00 0.81 O ATOM 339 H GLU A 37 1.624 8.158 -13.139 1.00 0.00 H ATOM 340 N ASP A 38 2.992 8.645 -9.927 1.00 0.30 N ATOM 341 CA ASP A 38 3.985 9.573 -9.398 1.00 0.33 C ATOM 342 C ASP A 38 4.593 9.057 -8.101 1.00 0.31 C ATOM 343 O ASP A 38 3.982 8.254 -7.395 1.00 0.34 O ATOM 344 CB ASP A 38 3.342 10.943 -9.163 1.00 0.42 C ATOM 345 CG ASP A 38 4.362 12.047 -8.981 1.00 0.54 C ATOM 346 OD1 ASP A 38 5.298 12.141 -9.807 1.00 1.29 O ATOM 347 OD2 ASP A 38 4.226 12.839 -8.027 1.00 1.12 O ATOM 348 H ASP A 38 2.051 8.608 -9.486 1.00 0.00 H ATOM 349 N SER A 39 5.800 9.515 -7.798 1.00 0.33 N ATOM 350 CA SER A 39 6.484 9.109 -6.582 1.00 0.35 C ATOM 351 C SER A 39 6.588 10.282 -5.614 1.00 0.27 C ATOM 352 O SER A 39 7.155 11.323 -5.949 1.00 0.35 O ATOM 353 CB SER A 39 7.879 8.578 -6.911 1.00 0.51 C ATOM 354 OG SER A 39 8.034 8.383 -8.308 1.00 0.78 O ATOM 355 HG SER A 39 8.944 8.040 -8.493 1.00 0.00 H ATOM 356 H SER A 39 6.268 10.180 -8.446 1.00 0.00 H ATOM 357 N TYR A 40 6.038 10.118 -4.420 1.00 0.32 N ATOM 358 CA TYR A 40 6.067 11.171 -3.413 1.00 0.33 C ATOM 359 C TYR A 40 7.032 10.804 -2.289 1.00 0.31 C ATOM 360 O TYR A 40 7.168 9.632 -1.933 1.00 0.35 O ATOM 361 CB TYR A 40 4.666 11.409 -2.842 1.00 0.44 C ATOM 362 CG TYR A 40 3.673 11.980 -3.831 1.00 0.53 C ATOM 363 CD1 TYR A 40 2.694 11.175 -4.400 1.00 0.68 C ATOM 364 CD2 TYR A 40 3.702 13.323 -4.180 1.00 0.67 C ATOM 365 CE1 TYR A 40 1.774 11.693 -5.290 1.00 0.79 C ATOM 366 CE2 TYR A 40 2.785 13.848 -5.071 1.00 0.80 C ATOM 367 CZ TYR A 40 1.824 13.029 -5.623 1.00 0.80 C ATOM 368 OH TYR A 40 0.905 13.550 -6.507 1.00 0.94 O ATOM 369 HH TYR A 40 0.292 12.832 -6.806 1.00 0.00 H ATOM 370 H TYR A 40 5.574 9.215 -4.196 1.00 0.00 H ATOM 371 N ARG A 41 7.708 11.805 -1.740 1.00 0.33 N ATOM 372 CA ARG A 41 8.660 11.587 -0.655 1.00 0.34 C ATOM 373 C ARG A 41 8.236 12.355 0.590 1.00 0.40 C ATOM 374 O ARG A 41 7.752 13.485 0.501 1.00 0.53 O ATOM 375 CB ARG A 41 10.070 12.016 -1.076 1.00 0.40 C ATOM 376 CG ARG A 41 10.978 10.867 -1.492 1.00 0.38 C ATOM 377 CD ARG A 41 10.478 10.189 -2.758 1.00 0.36 C ATOM 378 NE ARG A 41 10.545 11.072 -3.918 1.00 0.40 N ATOM 379 CZ ARG A 41 10.683 10.645 -5.169 1.00 0.48 C ATOM 380 NH1 ARG A 41 10.768 9.345 -5.437 1.00 0.56 N ATOM 381 NH2 ARG A 41 10.726 11.522 -6.161 1.00 0.56 N ATOM 382 HE ARG A 41 10.481 12.097 -3.756 1.00 0.00 H ATOM 383 HH12 ARG A 41 10.876 9.023 -6.420 1.00 0.00 H ATOM 384 HH11 ARG A 41 10.727 8.651 -4.664 1.00 0.00 H ATOM 385 HH22 ARG A 41 10.834 11.193 -7.142 1.00 0.00 H ATOM 386 HH21 ARG A 41 10.652 12.540 -5.959 1.00 0.00 H ATOM 387 H ARG A 41 7.555 12.772 -2.092 1.00 0.00 H ATOM 388 N LYS A 42 8.420 11.737 1.747 1.00 0.36 N ATOM 389 CA LYS A 42 8.051 12.354 3.016 1.00 0.44 C ATOM 390 C LYS A 42 9.068 11.983 4.095 1.00 0.36 C ATOM 391 O LYS A 42 9.461 10.825 4.211 1.00 0.32 O ATOM 392 CB LYS A 42 6.650 11.892 3.436 1.00 0.56 C ATOM 393 CG LYS A 42 6.072 12.639 4.631 1.00 0.72 C ATOM 394 CD LYS A 42 4.773 12.002 5.106 1.00 1.07 C ATOM 395 CE LYS A 42 4.247 12.662 6.374 1.00 1.33 C ATOM 396 NZ LYS A 42 3.816 14.068 6.144 1.00 1.46 N ATOM 397 HZ1 LYS A 42 4.625 14.626 5.802 1.00 0.00 H ATOM 398 HZ2 LYS A 42 3.057 14.085 5.433 1.00 0.00 H ATOM 399 HZ3 LYS A 42 3.467 14.473 7.036 1.00 0.00 H ATOM 400 H LYS A 42 8.839 10.785 1.751 1.00 0.00 H ATOM 401 N GLN A 43 9.502 12.957 4.879 1.00 0.46 N ATOM 402 CA GLN A 43 10.470 12.694 5.937 1.00 0.42 C ATOM 403 C GLN A 43 9.792 12.742 7.302 1.00 0.48 C ATOM 404 O GLN A 43 9.156 13.741 7.660 1.00 0.63 O ATOM 405 CB GLN A 43 11.634 13.685 5.872 1.00 0.53 C ATOM 406 CG GLN A 43 11.215 15.145 5.839 1.00 0.73 C ATOM 407 CD GLN A 43 12.291 16.037 5.259 1.00 1.26 C ATOM 408 OE1 GLN A 43 13.167 16.523 5.974 1.00 1.75 O ATOM 409 NE2 GLN A 43 12.239 16.255 3.955 1.00 1.89 N ATOM 410 HE22 GLN A 43 11.482 15.825 3.386 1.00 0.00 H ATOM 411 HE21 GLN A 43 12.955 16.856 3.499 1.00 0.00 H ATOM 412 H GLN A 43 9.147 13.924 4.738 1.00 0.00 H ATOM 413 N VAL A 44 9.894 11.648 8.049 1.00 0.41 N ATOM 414 CA VAL A 44 9.277 11.563 9.371 1.00 0.50 C ATOM 415 C VAL A 44 10.214 10.904 10.376 1.00 0.41 C ATOM 416 O VAL A 44 10.800 9.855 10.095 1.00 0.38 O ATOM 417 CB VAL A 44 7.958 10.752 9.345 1.00 0.65 C ATOM 418 CG1 VAL A 44 7.175 10.963 10.631 1.00 0.92 C ATOM 419 CG2 VAL A 44 7.105 11.112 8.140 1.00 1.09 C ATOM 420 H VAL A 44 10.426 10.832 7.684 1.00 0.00 H ATOM 421 N VAL A 45 10.344 11.514 11.548 1.00 0.46 N ATOM 422 CA VAL A 45 11.187 10.971 12.602 1.00 0.41 C ATOM 423 C VAL A 45 10.392 9.949 13.416 1.00 0.46 C ATOM 424 O VAL A 45 10.011 10.195 14.561 1.00 0.65 O ATOM 425 CB VAL A 45 11.725 12.076 13.541 1.00 0.43 C ATOM 426 CG1 VAL A 45 12.852 11.544 14.419 1.00 0.47 C ATOM 427 CG2 VAL A 45 12.197 13.283 12.745 1.00 0.54 C ATOM 428 H VAL A 45 9.830 12.402 11.717 1.00 0.00 H ATOM 429 N ILE A 46 10.135 8.805 12.808 1.00 0.45 N ATOM 430 CA ILE A 46 9.370 7.750 13.453 1.00 0.52 C ATOM 431 C ILE A 46 10.266 6.824 14.258 1.00 0.47 C ATOM 432 O ILE A 46 11.301 6.366 13.765 1.00 0.47 O ATOM 433 CB ILE A 46 8.572 6.926 12.427 1.00 0.65 C ATOM 434 CG1 ILE A 46 9.407 6.660 11.165 1.00 0.79 C ATOM 435 CG2 ILE A 46 7.279 7.643 12.080 1.00 1.06 C ATOM 436 CD1 ILE A 46 8.683 5.835 10.122 1.00 0.81 C ATOM 437 H ILE A 46 10.489 8.655 11.842 1.00 0.00 H ATOM 438 N ASP A 47 9.865 6.577 15.506 1.00 0.48 N ATOM 439 CA ASP A 47 10.604 5.709 16.425 1.00 0.50 C ATOM 440 C ASP A 47 11.978 6.281 16.731 1.00 0.45 C ATOM 441 O ASP A 47 12.931 5.541 16.967 1.00 0.53 O ATOM 442 CB ASP A 47 10.737 4.284 15.875 1.00 0.56 C ATOM 443 CG ASP A 47 9.443 3.501 15.967 1.00 0.65 C ATOM 444 OD1 ASP A 47 8.676 3.710 16.933 1.00 0.97 O ATOM 445 OD2 ASP A 47 9.181 2.668 15.072 1.00 0.79 O ATOM 446 H ASP A 47 8.987 7.022 15.842 1.00 0.00 H ATOM 447 N GLY A 48 12.067 7.603 16.729 1.00 0.41 N ATOM 448 CA GLY A 48 13.324 8.270 17.012 1.00 0.43 C ATOM 449 C GLY A 48 14.310 8.194 15.862 1.00 0.43 C ATOM 450 O GLY A 48 15.484 8.532 16.017 1.00 0.60 O ATOM 451 H GLY A 48 11.222 8.172 16.521 1.00 0.00 H ATOM 452 N GLU A 49 13.843 7.755 14.708 1.00 0.40 N ATOM 453 CA GLU A 49 14.702 7.639 13.544 1.00 0.43 C ATOM 454 C GLU A 49 14.227 8.558 12.429 1.00 0.34 C ATOM 455 O GLU A 49 13.095 8.444 11.962 1.00 0.36 O ATOM 456 CB GLU A 49 14.727 6.193 13.054 1.00 0.52 C ATOM 457 CG GLU A 49 15.241 5.207 14.091 1.00 0.72 C ATOM 458 CD GLU A 49 16.738 5.023 14.020 1.00 0.96 C ATOM 459 OE1 GLU A 49 17.475 5.829 14.628 1.00 1.30 O ATOM 460 OE2 GLU A 49 17.185 4.063 13.358 1.00 1.41 O ATOM 461 H GLU A 49 12.841 7.487 14.632 1.00 0.00 H ATOM 462 N THR A 50 15.086 9.485 12.022 1.00 0.35 N ATOM 463 CA THR A 50 14.757 10.410 10.949 1.00 0.32 C ATOM 464 C THR A 50 14.944 9.722 9.608 1.00 0.30 C ATOM 465 O THR A 50 16.058 9.649 9.088 1.00 0.38 O ATOM 466 CB THR A 50 15.639 11.670 11.000 1.00 0.45 C ATOM 467 OG1 THR A 50 15.686 12.176 12.337 1.00 0.63 O ATOM 468 CG2 THR A 50 15.105 12.747 10.069 1.00 0.47 C ATOM 469 HG1 THR A 50 16.255 12.986 12.362 1.00 0.00 H ATOM 470 H THR A 50 16.017 9.551 12.482 1.00 0.00 H ATOM 471 N CYS A 51 13.858 9.211 9.058 1.00 0.31 N ATOM 472 CA CYS A 51 13.918 8.506 7.793 1.00 0.40 C ATOM 473 C CYS A 51 13.170 9.245 6.690 1.00 0.34 C ATOM 474 O CYS A 51 12.306 10.081 6.959 1.00 0.35 O ATOM 475 CB CYS A 51 13.349 7.101 7.969 1.00 0.53 C ATOM 476 SG CYS A 51 14.149 6.158 9.289 1.00 0.71 S ATOM 477 H CYS A 51 12.943 9.316 9.541 1.00 0.00 H ATOM 478 N LEU A 52 13.532 8.932 5.452 1.00 0.32 N ATOM 479 CA LEU A 52 12.913 9.524 4.282 1.00 0.30 C ATOM 480 C LEU A 52 12.132 8.448 3.540 1.00 0.28 C ATOM 481 O LEU A 52 12.693 7.437 3.114 1.00 0.35 O ATOM 482 CB LEU A 52 13.978 10.144 3.371 1.00 0.37 C ATOM 483 CG LEU A 52 13.440 10.837 2.117 1.00 0.40 C ATOM 484 CD1 LEU A 52 12.724 12.131 2.478 1.00 0.48 C ATOM 485 CD2 LEU A 52 14.568 11.102 1.133 1.00 0.47 C ATOM 486 H LEU A 52 14.291 8.234 5.316 1.00 0.00 H ATOM 487 N LEU A 53 10.838 8.656 3.406 1.00 0.27 N ATOM 488 CA LEU A 53 9.975 7.692 2.749 1.00 0.29 C ATOM 489 C LEU A 53 9.855 7.962 1.254 1.00 0.25 C ATOM 490 O LEU A 53 9.605 9.092 0.830 1.00 0.30 O ATOM 491 CB LEU A 53 8.586 7.721 3.384 1.00 0.37 C ATOM 492 CG LEU A 53 8.574 7.657 4.911 1.00 0.39 C ATOM 493 CD1 LEU A 53 7.245 8.148 5.452 1.00 0.59 C ATOM 494 CD2 LEU A 53 8.843 6.240 5.385 1.00 0.87 C ATOM 495 H LEU A 53 10.424 9.534 3.781 1.00 0.00 H ATOM 496 N ASP A 54 10.038 6.910 0.474 1.00 0.23 N ATOM 497 CA ASP A 54 9.929 6.968 -0.973 1.00 0.24 C ATOM 498 C ASP A 54 8.737 6.117 -1.392 1.00 0.24 C ATOM 499 O ASP A 54 8.806 4.890 -1.369 1.00 0.28 O ATOM 500 CB ASP A 54 11.221 6.466 -1.629 1.00 0.26 C ATOM 501 CG ASP A 54 11.101 6.299 -3.134 1.00 0.39 C ATOM 502 OD1 ASP A 54 10.737 7.275 -3.822 1.00 0.96 O ATOM 503 OD2 ASP A 54 11.415 5.203 -3.640 1.00 1.03 O ATOM 504 H ASP A 54 10.271 5.999 0.917 1.00 0.00 H ATOM 505 N ILE A 55 7.636 6.773 -1.726 1.00 0.24 N ATOM 506 CA ILE A 55 6.412 6.077 -2.099 1.00 0.27 C ATOM 507 C ILE A 55 6.092 6.253 -3.579 1.00 0.26 C ATOM 508 O ILE A 55 6.450 7.261 -4.183 1.00 0.34 O ATOM 509 CB ILE A 55 5.215 6.587 -1.264 1.00 0.34 C ATOM 510 CG1 ILE A 55 5.664 6.939 0.159 1.00 0.46 C ATOM 511 CG2 ILE A 55 4.107 5.542 -1.228 1.00 0.40 C ATOM 512 CD1 ILE A 55 4.564 7.521 1.019 1.00 0.68 C ATOM 513 H ILE A 55 7.646 7.813 -1.722 1.00 0.00 H ATOM 514 N LEU A 56 5.416 5.270 -4.155 1.00 0.30 N ATOM 515 CA LEU A 56 5.031 5.326 -5.559 1.00 0.32 C ATOM 516 C LEU A 56 3.552 4.978 -5.718 1.00 0.33 C ATOM 517 O LEU A 56 3.123 3.881 -5.344 1.00 0.39 O ATOM 518 CB LEU A 56 5.892 4.366 -6.391 1.00 0.37 C ATOM 519 CG LEU A 56 5.544 4.287 -7.880 1.00 0.42 C ATOM 520 CD1 LEU A 56 5.953 5.564 -8.599 1.00 0.45 C ATOM 521 CD2 LEU A 56 6.218 3.082 -8.518 1.00 0.46 C ATOM 522 H LEU A 56 5.153 4.437 -3.590 1.00 0.00 H ATOM 523 N ASP A 57 2.777 5.915 -6.248 1.00 0.32 N ATOM 524 CA ASP A 57 1.352 5.693 -6.468 1.00 0.34 C ATOM 525 C ASP A 57 1.146 4.987 -7.799 1.00 0.36 C ATOM 526 O ASP A 57 1.148 5.615 -8.855 1.00 0.40 O ATOM 527 CB ASP A 57 0.592 7.024 -6.440 1.00 0.35 C ATOM 528 CG ASP A 57 -0.809 6.931 -7.025 1.00 0.37 C ATOM 529 OD1 ASP A 57 -1.567 5.986 -6.758 1.00 0.37 O ATOM 530 OD2 ASP A 57 -1.234 7.812 -7.782 1.00 0.44 O ATOM 531 H ASP A 57 3.195 6.830 -6.513 1.00 0.00 H ATOM 532 N THR A 58 0.977 3.676 -7.735 1.00 0.40 N ATOM 533 CA THR A 58 0.801 2.864 -8.930 1.00 0.44 C ATOM 534 C THR A 58 -0.487 3.198 -9.673 1.00 0.41 C ATOM 535 O THR A 58 -1.531 3.463 -9.065 1.00 0.49 O ATOM 536 CB THR A 58 0.804 1.367 -8.587 1.00 0.53 C ATOM 537 OG1 THR A 58 -0.148 1.096 -7.550 1.00 0.61 O ATOM 538 CG2 THR A 58 2.185 0.917 -8.144 1.00 0.73 C ATOM 539 HG1 THR A 58 0.090 1.615 -6.741 1.00 0.00 H ATOM 540 H THR A 58 0.970 3.213 -6.804 1.00 0.00 H ATOM 541 N ALA A 59 -0.398 3.191 -10.992 1.00 0.41 N ATOM 542 CA ALA A 59 -1.539 3.459 -11.843 1.00 0.39 C ATOM 543 C ALA A 59 -2.343 2.183 -12.032 1.00 0.40 C ATOM 544 O ALA A 59 -3.522 2.122 -11.677 1.00 0.56 O ATOM 545 CB ALA A 59 -1.074 4.001 -13.184 1.00 0.43 C ATOM 546 H ALA A 59 0.521 2.986 -11.433 1.00 0.00 H ATOM 547 N GLY A 60 -1.684 1.159 -12.561 1.00 0.42 N ATOM 548 CA GLY A 60 -2.340 -0.109 -12.790 1.00 0.46 C ATOM 549 C GLY A 60 -1.688 -0.899 -13.905 1.00 0.47 C ATOM 550 O GLY A 60 -1.429 -2.096 -13.760 1.00 0.72 O ATOM 551 H GLY A 60 -0.682 1.271 -12.814 1.00 0.00 H ATOM 552 N GLN A 61 -1.427 -0.232 -15.019 1.00 0.43 N ATOM 553 CA GLN A 61 -0.797 -0.870 -16.164 1.00 0.51 C ATOM 554 C GLN A 61 0.290 0.024 -16.744 1.00 0.44 C ATOM 555 O GLN A 61 0.063 1.208 -16.997 1.00 0.63 O ATOM 556 CB GLN A 61 -1.840 -1.180 -17.244 1.00 0.71 C ATOM 557 CG GLN A 61 -2.492 -2.547 -17.096 1.00 0.80 C ATOM 558 CD GLN A 61 -1.511 -3.688 -17.291 1.00 1.04 C ATOM 559 OE1 GLN A 61 -0.524 -3.559 -18.018 1.00 1.23 O ATOM 560 NE2 GLN A 61 -1.772 -4.811 -16.646 1.00 1.26 N ATOM 561 HE22 GLN A 61 -2.616 -4.880 -16.042 1.00 0.00 H ATOM 562 HE21 GLN A 61 -1.134 -5.626 -16.742 1.00 0.00 H ATOM 563 H GLN A 61 -1.679 0.775 -15.077 1.00 0.00 H ATOM 564 N GLU A 62 1.472 -0.537 -16.931 1.00 0.51 N ATOM 565 CA GLU A 62 2.581 0.206 -17.499 1.00 0.54 C ATOM 566 C GLU A 62 2.755 -0.184 -18.962 1.00 0.54 C ATOM 567 O GLU A 62 2.057 -1.076 -19.457 1.00 0.59 O ATOM 568 CB GLU A 62 3.871 -0.057 -16.715 1.00 0.70 C ATOM 569 CG GLU A 62 4.360 1.140 -15.910 1.00 0.81 C ATOM 570 CD GLU A 62 4.743 2.319 -16.786 1.00 0.96 C ATOM 571 OE1 GLU A 62 4.990 2.115 -17.990 1.00 1.57 O ATOM 572 OE2 GLU A 62 4.815 3.455 -16.267 1.00 1.43 O ATOM 573 H GLU A 62 1.610 -1.533 -16.665 1.00 0.00 H ATOM 574 N GLU A 63 3.678 0.477 -19.649 1.00 0.55 N ATOM 575 CA GLU A 63 3.936 0.192 -21.052 1.00 0.59 C ATOM 576 C GLU A 63 4.501 -1.215 -21.208 1.00 0.47 C ATOM 577 O GLU A 63 4.083 -1.971 -22.085 1.00 0.50 O ATOM 578 CB GLU A 63 4.895 1.230 -21.645 1.00 0.70 C ATOM 579 CG GLU A 63 5.263 0.952 -23.095 1.00 0.96 C ATOM 580 CD GLU A 63 5.649 2.200 -23.863 1.00 1.10 C ATOM 581 OE1 GLU A 63 6.579 2.910 -23.431 1.00 1.32 O ATOM 582 OE2 GLU A 63 5.032 2.471 -24.916 1.00 1.38 O ATOM 583 H GLU A 63 4.231 1.218 -19.172 1.00 0.00 H ATOM 584 N TYR A 64 5.428 -1.569 -20.335 1.00 0.40 N ATOM 585 CA TYR A 64 6.040 -2.887 -20.362 1.00 0.34 C ATOM 586 C TYR A 64 5.972 -3.523 -18.978 1.00 0.30 C ATOM 587 O TYR A 64 6.075 -2.830 -17.964 1.00 0.30 O ATOM 588 CB TYR A 64 7.498 -2.805 -20.826 1.00 0.36 C ATOM 589 CG TYR A 64 7.672 -2.312 -22.249 1.00 0.44 C ATOM 590 CD1 TYR A 64 7.220 -3.060 -23.331 1.00 0.59 C ATOM 591 CD2 TYR A 64 8.305 -1.103 -22.511 1.00 0.66 C ATOM 592 CE1 TYR A 64 7.395 -2.615 -24.629 1.00 0.68 C ATOM 593 CE2 TYR A 64 8.478 -0.651 -23.805 1.00 0.76 C ATOM 594 CZ TYR A 64 8.024 -1.409 -24.860 1.00 0.67 C ATOM 595 OH TYR A 64 8.211 -0.967 -26.152 1.00 0.81 O ATOM 596 HH TYR A 64 7.828 -1.626 -26.784 1.00 0.00 H ATOM 597 H TYR A 64 5.727 -0.886 -19.610 1.00 0.00 H ATOM 598 N SER A 65 5.802 -4.839 -18.943 1.00 0.32 N ATOM 599 CA SER A 65 5.723 -5.578 -17.689 1.00 0.34 C ATOM 600 C SER A 65 7.024 -5.456 -16.903 1.00 0.30 C ATOM 601 O SER A 65 7.011 -5.323 -15.681 1.00 0.35 O ATOM 602 CB SER A 65 5.418 -7.049 -17.972 1.00 0.40 C ATOM 603 OG SER A 65 4.646 -7.183 -19.154 1.00 0.63 O ATOM 604 HG SER A 65 4.460 -8.141 -19.318 1.00 0.00 H ATOM 605 H SER A 65 5.723 -5.360 -19.840 1.00 0.00 H ATOM 606 N ALA A 66 8.143 -5.476 -17.616 1.00 0.26 N ATOM 607 CA ALA A 66 9.455 -5.374 -16.994 1.00 0.26 C ATOM 608 C ALA A 66 9.610 -4.062 -16.235 1.00 0.26 C ATOM 609 O ALA A 66 10.340 -3.987 -15.248 1.00 0.32 O ATOM 610 CB ALA A 66 10.547 -5.513 -18.041 1.00 0.26 C ATOM 611 H ALA A 66 8.081 -5.567 -18.650 1.00 0.00 H ATOM 612 N MET A 67 8.901 -3.037 -16.682 1.00 0.25 N ATOM 613 CA MET A 67 8.963 -1.736 -16.035 1.00 0.30 C ATOM 614 C MET A 67 8.207 -1.768 -14.711 1.00 0.30 C ATOM 615 O MET A 67 8.639 -1.180 -13.723 1.00 0.34 O ATOM 616 CB MET A 67 8.392 -0.658 -16.953 1.00 0.36 C ATOM 617 CG MET A 67 9.289 -0.350 -18.136 1.00 0.50 C ATOM 618 SD MET A 67 8.432 0.544 -19.449 1.00 0.63 S ATOM 619 CE MET A 67 8.099 2.100 -18.631 1.00 0.69 C ATOM 620 H MET A 67 8.288 -3.165 -17.512 1.00 0.00 H ATOM 621 N ARG A 68 7.083 -2.479 -14.701 1.00 0.31 N ATOM 622 CA ARG A 68 6.266 -2.617 -13.500 1.00 0.36 C ATOM 623 C ARG A 68 6.981 -3.508 -12.487 1.00 0.37 C ATOM 624 O ARG A 68 7.035 -3.204 -11.293 1.00 0.41 O ATOM 625 CB ARG A 68 4.902 -3.219 -13.853 1.00 0.43 C ATOM 626 CG ARG A 68 4.062 -3.596 -12.643 1.00 0.55 C ATOM 627 CD ARG A 68 3.081 -4.705 -12.976 1.00 0.62 C ATOM 628 NE ARG A 68 3.764 -5.928 -13.402 1.00 0.64 N ATOM 629 CZ ARG A 68 3.171 -6.941 -14.029 1.00 0.76 C ATOM 630 NH1 ARG A 68 1.876 -6.894 -14.305 1.00 0.90 N ATOM 631 NH2 ARG A 68 3.890 -8.001 -14.377 1.00 0.86 N ATOM 632 HE ARG A 68 4.781 -6.011 -13.201 1.00 0.00 H ATOM 633 HH12 ARG A 68 1.420 -7.690 -14.795 1.00 0.00 H ATOM 634 HH11 ARG A 68 1.316 -6.062 -14.031 1.00 0.00 H ATOM 635 HH22 ARG A 68 3.437 -8.798 -14.867 1.00 0.00 H ATOM 636 HH21 ARG A 68 4.906 -8.034 -14.159 1.00 0.00 H ATOM 637 H ARG A 68 6.777 -2.951 -15.576 1.00 0.00 H ATOM 638 N ASP A 69 7.541 -4.603 -12.988 1.00 0.37 N ATOM 639 CA ASP A 69 8.266 -5.564 -12.161 1.00 0.42 C ATOM 640 C ASP A 69 9.550 -4.957 -11.597 1.00 0.36 C ATOM 641 O ASP A 69 10.098 -5.454 -10.610 1.00 0.42 O ATOM 642 CB ASP A 69 8.614 -6.815 -12.977 1.00 0.58 C ATOM 643 CG ASP A 69 7.435 -7.747 -13.189 1.00 0.78 C ATOM 644 OD1 ASP A 69 7.654 -8.980 -13.237 1.00 0.94 O ATOM 645 OD2 ASP A 69 6.291 -7.263 -13.318 1.00 1.41 O ATOM 646 H ASP A 69 7.460 -4.783 -14.009 1.00 0.00 H ATOM 647 N GLN A 70 10.019 -3.878 -12.219 1.00 0.32 N ATOM 648 CA GLN A 70 11.240 -3.203 -11.792 1.00 0.31 C ATOM 649 C GLN A 70 11.125 -2.702 -10.357 1.00 0.26 C ATOM 650 O GLN A 70 11.920 -3.086 -9.496 1.00 0.33 O ATOM 651 CB GLN A 70 11.560 -2.033 -12.726 1.00 0.34 C ATOM 652 CG GLN A 70 12.880 -1.354 -12.408 1.00 0.43 C ATOM 653 CD GLN A 70 12.953 0.074 -12.911 1.00 0.96 C ATOM 654 OE1 GLN A 70 13.379 0.332 -14.038 1.00 1.51 O ATOM 655 NE2 GLN A 70 12.541 1.012 -12.075 1.00 1.30 N ATOM 656 HE22 GLN A 70 12.189 0.750 -11.132 1.00 0.00 H ATOM 657 HE21 GLN A 70 12.569 2.012 -12.360 1.00 0.00 H ATOM 658 H GLN A 70 9.498 -3.503 -13.037 1.00 0.00 H ATOM 659 N TYR A 71 10.122 -1.871 -10.088 1.00 0.23 N ATOM 660 CA TYR A 71 9.941 -1.330 -8.747 1.00 0.27 C ATOM 661 C TYR A 71 9.369 -2.375 -7.798 1.00 0.24 C ATOM 662 O TYR A 71 9.241 -2.130 -6.600 1.00 0.29 O ATOM 663 CB TYR A 71 9.078 -0.059 -8.743 1.00 0.37 C ATOM 664 CG TYR A 71 7.826 -0.103 -9.602 1.00 0.44 C ATOM 665 CD1 TYR A 71 6.623 -0.589 -9.099 1.00 0.53 C ATOM 666 CD2 TYR A 71 7.842 0.388 -10.902 1.00 0.67 C ATOM 667 CE1 TYR A 71 5.474 -0.586 -9.869 1.00 0.77 C ATOM 668 CE2 TYR A 71 6.702 0.388 -11.681 1.00 0.86 C ATOM 669 CZ TYR A 71 5.519 -0.097 -11.161 1.00 0.90 C ATOM 670 OH TYR A 71 4.377 -0.077 -11.931 1.00 1.17 O ATOM 671 HH TYR A 71 4.167 0.857 -12.183 1.00 0.00 H ATOM 672 H TYR A 71 9.459 -1.604 -10.844 1.00 0.00 H ATOM 673 N MET A 72 9.032 -3.545 -8.331 1.00 0.24 N ATOM 674 CA MET A 72 8.509 -4.629 -7.509 1.00 0.28 C ATOM 675 C MET A 72 9.652 -5.277 -6.742 1.00 0.31 C ATOM 676 O MET A 72 9.455 -5.864 -5.681 1.00 0.44 O ATOM 677 CB MET A 72 7.805 -5.685 -8.363 1.00 0.36 C ATOM 678 CG MET A 72 6.352 -5.358 -8.677 1.00 0.39 C ATOM 679 SD MET A 72 5.534 -6.664 -9.616 1.00 0.51 S ATOM 680 CE MET A 72 3.811 -6.232 -9.375 1.00 0.70 C ATOM 681 H MET A 72 9.144 -3.690 -9.355 1.00 0.00 H ATOM 682 N ARG A 73 10.853 -5.157 -7.293 1.00 0.25 N ATOM 683 CA ARG A 73 12.041 -5.727 -6.674 1.00 0.30 C ATOM 684 C ARG A 73 12.651 -4.742 -5.687 1.00 0.27 C ATOM 685 O ARG A 73 13.063 -5.119 -4.589 1.00 0.34 O ATOM 686 CB ARG A 73 13.081 -6.083 -7.739 1.00 0.37 C ATOM 687 CG ARG A 73 12.521 -6.852 -8.926 1.00 0.45 C ATOM 688 CD ARG A 73 13.607 -7.203 -9.935 1.00 0.50 C ATOM 689 NE ARG A 73 14.493 -6.071 -10.214 1.00 0.80 N ATOM 690 CZ ARG A 73 15.253 -5.961 -11.302 1.00 0.81 C ATOM 691 NH1 ARG A 73 15.240 -6.903 -12.236 1.00 1.19 N ATOM 692 NH2 ARG A 73 16.041 -4.900 -11.446 1.00 1.29 N ATOM 693 HE ARG A 73 14.531 -5.301 -9.516 1.00 0.00 H ATOM 694 HH12 ARG A 73 15.838 -6.806 -13.081 1.00 0.00 H ATOM 695 HH11 ARG A 73 14.632 -7.739 -12.123 1.00 0.00 H ATOM 696 HH22 ARG A 73 16.638 -4.806 -12.293 1.00 0.00 H ATOM 697 HH21 ARG A 73 16.061 -4.164 -10.712 1.00 0.00 H ATOM 698 H ARG A 73 10.948 -4.642 -8.191 1.00 0.00 H ATOM 699 N THR A 74 12.700 -3.476 -6.087 1.00 0.23 N ATOM 700 CA THR A 74 13.274 -2.421 -5.263 1.00 0.23 C ATOM 701 C THR A 74 12.407 -2.103 -4.042 1.00 0.20 C ATOM 702 O THR A 74 12.889 -1.533 -3.062 1.00 0.24 O ATOM 703 CB THR A 74 13.469 -1.138 -6.089 1.00 0.26 C ATOM 704 OG1 THR A 74 13.500 -1.455 -7.491 1.00 0.64 O ATOM 705 CG2 THR A 74 14.756 -0.431 -5.693 1.00 0.72 C ATOM 706 HG1 THR A 74 12.646 -1.883 -7.750 1.00 0.00 H ATOM 707 H THR A 74 12.315 -3.230 -7.021 1.00 0.00 H ATOM 708 N GLY A 75 11.133 -2.466 -4.108 1.00 0.17 N ATOM 709 CA GLY A 75 10.230 -2.204 -3.008 1.00 0.16 C ATOM 710 C GLY A 75 10.549 -3.040 -1.784 1.00 0.14 C ATOM 711 O GLY A 75 10.621 -4.266 -1.867 1.00 0.19 O ATOM 712 H GLY A 75 10.779 -2.945 -4.961 1.00 0.00 H ATOM 713 N GLU A 76 10.758 -2.377 -0.653 1.00 0.16 N ATOM 714 CA GLU A 76 11.060 -3.065 0.591 1.00 0.20 C ATOM 715 C GLU A 76 9.768 -3.404 1.319 1.00 0.23 C ATOM 716 O GLU A 76 9.627 -4.487 1.888 1.00 0.34 O ATOM 717 CB GLU A 76 11.963 -2.203 1.472 1.00 0.26 C ATOM 718 CG GLU A 76 13.356 -2.022 0.895 1.00 0.30 C ATOM 719 CD GLU A 76 14.238 -1.108 1.725 1.00 0.34 C ATOM 720 OE1 GLU A 76 14.145 0.127 1.557 1.00 0.43 O ATOM 721 OE2 GLU A 76 15.042 -1.624 2.533 1.00 0.54 O ATOM 722 H GLU A 76 10.704 -1.338 -0.657 1.00 0.00 H ATOM 723 N GLY A 77 8.825 -2.467 1.280 1.00 0.21 N ATOM 724 CA GLY A 77 7.539 -2.671 1.911 1.00 0.23 C ATOM 725 C GLY A 77 6.414 -2.374 0.946 1.00 0.17 C ATOM 726 O GLY A 77 6.477 -1.395 0.198 1.00 0.26 O ATOM 727 H GLY A 77 9.015 -1.571 0.787 1.00 0.00 H ATOM 728 N PHE A 78 5.392 -3.205 0.939 1.00 0.11 N ATOM 729 CA PHE A 78 4.278 -2.999 0.033 1.00 0.17 C ATOM 730 C PHE A 78 2.974 -2.833 0.789 1.00 0.17 C ATOM 731 O PHE A 78 2.636 -3.637 1.664 1.00 0.20 O ATOM 732 CB PHE A 78 4.176 -4.158 -0.957 1.00 0.24 C ATOM 733 CG PHE A 78 5.402 -4.324 -1.799 1.00 0.28 C ATOM 734 CD1 PHE A 78 6.349 -5.278 -1.479 1.00 0.29 C ATOM 735 CD2 PHE A 78 5.610 -3.521 -2.904 1.00 0.43 C ATOM 736 CE1 PHE A 78 7.485 -5.428 -2.247 1.00 0.35 C ATOM 737 CE2 PHE A 78 6.743 -3.665 -3.677 1.00 0.48 C ATOM 738 CZ PHE A 78 7.683 -4.621 -3.348 1.00 0.40 C ATOM 739 H PHE A 78 5.384 -4.017 1.589 1.00 0.00 H ATOM 740 N LEU A 79 2.250 -1.779 0.450 1.00 0.19 N ATOM 741 CA LEU A 79 0.975 -1.500 1.076 1.00 0.20 C ATOM 742 C LEU A 79 -0.138 -2.036 0.191 1.00 0.21 C ATOM 743 O LEU A 79 -0.372 -1.526 -0.907 1.00 0.24 O ATOM 744 CB LEU A 79 0.808 0.005 1.299 1.00 0.23 C ATOM 745 CG LEU A 79 -0.208 0.396 2.372 1.00 0.26 C ATOM 746 CD1 LEU A 79 0.358 0.150 3.762 1.00 0.37 C ATOM 747 CD2 LEU A 79 -0.612 1.852 2.209 1.00 0.27 C ATOM 748 H LEU A 79 2.606 -1.135 -0.285 1.00 0.00 H ATOM 749 N CYS A 80 -0.802 -3.078 0.659 1.00 0.21 N ATOM 750 CA CYS A 80 -1.872 -3.707 -0.099 1.00 0.25 C ATOM 751 C CYS A 80 -3.234 -3.188 0.346 1.00 0.24 C ATOM 752 O CYS A 80 -3.836 -3.706 1.289 1.00 0.28 O ATOM 753 CB CYS A 80 -1.800 -5.219 0.075 1.00 0.31 C ATOM 754 SG CYS A 80 -0.111 -5.864 0.075 1.00 0.61 S ATOM 755 H CYS A 80 -0.553 -3.459 1.594 1.00 0.00 H ATOM 756 N VAL A 81 -3.707 -2.154 -0.329 1.00 0.29 N ATOM 757 CA VAL A 81 -4.988 -1.555 -0.001 1.00 0.33 C ATOM 758 C VAL A 81 -6.087 -2.053 -0.929 1.00 0.30 C ATOM 759 O VAL A 81 -5.891 -2.158 -2.143 1.00 0.36 O ATOM 760 CB VAL A 81 -4.937 -0.016 -0.093 1.00 0.44 C ATOM 761 CG1 VAL A 81 -6.136 0.602 0.611 1.00 0.59 C ATOM 762 CG2 VAL A 81 -3.629 0.520 0.471 1.00 0.42 C ATOM 763 H VAL A 81 -3.148 -1.761 -1.113 1.00 0.00 H ATOM 764 N PHE A 82 -7.233 -2.371 -0.354 1.00 0.26 N ATOM 765 CA PHE A 82 -8.379 -2.827 -1.117 1.00 0.26 C ATOM 766 C PHE A 82 -9.605 -2.031 -0.689 1.00 0.25 C ATOM 767 O PHE A 82 -9.537 -1.257 0.267 1.00 0.25 O ATOM 768 CB PHE A 82 -8.614 -4.336 -0.925 1.00 0.28 C ATOM 769 CG PHE A 82 -9.062 -4.724 0.456 1.00 0.27 C ATOM 770 CD1 PHE A 82 -8.137 -5.049 1.432 1.00 0.31 C ATOM 771 CD2 PHE A 82 -10.409 -4.776 0.771 1.00 0.30 C ATOM 772 CE1 PHE A 82 -8.549 -5.419 2.697 1.00 0.34 C ATOM 773 CE2 PHE A 82 -10.824 -5.142 2.036 1.00 0.30 C ATOM 774 CZ PHE A 82 -9.893 -5.463 2.998 1.00 0.30 C ATOM 775 H PHE A 82 -7.316 -2.292 0.680 1.00 0.00 H ATOM 776 N ALA A 83 -10.709 -2.205 -1.395 1.00 0.28 N ATOM 777 CA ALA A 83 -11.937 -1.500 -1.068 1.00 0.27 C ATOM 778 C ALA A 83 -12.932 -2.442 -0.399 1.00 0.28 C ATOM 779 O ALA A 83 -13.302 -3.467 -0.967 1.00 0.31 O ATOM 780 CB ALA A 83 -12.538 -0.897 -2.325 1.00 0.32 C ATOM 781 H ALA A 83 -10.699 -2.861 -2.202 1.00 0.00 H ATOM 782 N ILE A 84 -13.371 -2.090 0.805 1.00 0.28 N ATOM 783 CA ILE A 84 -14.320 -2.923 1.543 1.00 0.31 C ATOM 784 C ILE A 84 -15.686 -2.972 0.848 1.00 0.31 C ATOM 785 O ILE A 84 -16.499 -3.864 1.104 1.00 0.33 O ATOM 786 CB ILE A 84 -14.502 -2.436 2.998 1.00 0.37 C ATOM 787 CG1 ILE A 84 -15.018 -0.996 3.019 1.00 0.54 C ATOM 788 CG2 ILE A 84 -13.189 -2.550 3.762 1.00 0.53 C ATOM 789 CD1 ILE A 84 -15.580 -0.571 4.356 1.00 0.78 C ATOM 790 H ILE A 84 -13.033 -1.204 1.231 1.00 0.00 H ATOM 791 N ASN A 85 -15.926 -2.023 -0.046 1.00 0.33 N ATOM 792 CA ASN A 85 -17.182 -1.959 -0.777 1.00 0.38 C ATOM 793 C ASN A 85 -17.022 -2.590 -2.158 1.00 0.36 C ATOM 794 O ASN A 85 -17.945 -2.573 -2.973 1.00 0.48 O ATOM 795 CB ASN A 85 -17.655 -0.507 -0.914 1.00 0.51 C ATOM 796 CG ASN A 85 -16.797 0.320 -1.861 1.00 0.62 C ATOM 797 OD1 ASN A 85 -15.587 0.112 -1.978 1.00 0.68 O ATOM 798 ND2 ASN A 85 -17.418 1.268 -2.538 1.00 0.82 N ATOM 799 HD22 ASN A 85 -18.440 1.413 -2.412 1.00 0.00 H ATOM 800 HD21 ASN A 85 -16.885 1.870 -3.197 1.00 0.00 H ATOM 801 H ASN A 85 -15.197 -1.305 -0.230 1.00 0.00 H ATOM 802 N ASN A 86 -15.841 -3.142 -2.406 1.00 0.34 N ATOM 803 CA ASN A 86 -15.533 -3.780 -3.682 1.00 0.39 C ATOM 804 C ASN A 86 -14.822 -5.108 -3.445 1.00 0.33 C ATOM 805 O ASN A 86 -13.592 -5.165 -3.369 1.00 0.33 O ATOM 806 CB ASN A 86 -14.656 -2.858 -4.537 1.00 0.53 C ATOM 807 CG ASN A 86 -14.569 -3.292 -5.991 1.00 0.64 C ATOM 808 OD1 ASN A 86 -13.727 -4.112 -6.361 1.00 1.07 O ATOM 809 ND2 ASN A 86 -15.422 -2.722 -6.829 1.00 0.98 N ATOM 810 HD22 ASN A 86 -16.117 -2.034 -6.475 1.00 0.00 H ATOM 811 HD21 ASN A 86 -15.396 -2.962 -7.841 1.00 0.00 H ATOM 812 H ASN A 86 -15.110 -3.119 -1.666 1.00 0.00 H ATOM 813 N THR A 87 -15.602 -6.174 -3.337 1.00 0.33 N ATOM 814 CA THR A 87 -15.071 -7.508 -3.085 1.00 0.32 C ATOM 815 C THR A 87 -14.104 -7.957 -4.179 1.00 0.30 C ATOM 816 O THR A 87 -13.185 -8.738 -3.920 1.00 0.30 O ATOM 817 CB THR A 87 -16.220 -8.522 -2.961 1.00 0.38 C ATOM 818 OG1 THR A 87 -17.381 -7.859 -2.439 1.00 0.65 O ATOM 819 CG2 THR A 87 -15.835 -9.673 -2.043 1.00 0.57 C ATOM 820 HG1 THR A 87 -17.172 -7.483 -1.548 1.00 0.00 H ATOM 821 H THR A 87 -16.630 -6.054 -3.436 1.00 0.00 H ATOM 822 N LYS A 88 -14.303 -7.446 -5.389 1.00 0.33 N ATOM 823 CA LYS A 88 -13.453 -7.789 -6.523 1.00 0.35 C ATOM 824 C LYS A 88 -11.996 -7.419 -6.234 1.00 0.30 C ATOM 825 O LYS A 88 -11.074 -8.163 -6.575 1.00 0.36 O ATOM 826 CB LYS A 88 -13.954 -7.083 -7.790 1.00 0.42 C ATOM 827 CG LYS A 88 -13.209 -7.477 -9.057 1.00 0.49 C ATOM 828 CD LYS A 88 -13.491 -8.915 -9.462 1.00 0.71 C ATOM 829 CE LYS A 88 -12.800 -9.268 -10.771 1.00 0.89 C ATOM 830 NZ LYS A 88 -13.445 -8.608 -11.940 1.00 0.82 N ATOM 831 HZ1 LYS A 88 -14.437 -8.912 -12.004 1.00 0.00 H ATOM 832 HZ2 LYS A 88 -13.405 -7.576 -11.820 1.00 0.00 H ATOM 833 HZ3 LYS A 88 -12.942 -8.877 -12.810 1.00 0.00 H ATOM 834 H LYS A 88 -15.089 -6.781 -5.532 1.00 0.00 H ATOM 835 N SER A 89 -11.799 -6.283 -5.576 1.00 0.27 N ATOM 836 CA SER A 89 -10.455 -5.822 -5.245 1.00 0.27 C ATOM 837 C SER A 89 -9.862 -6.623 -4.081 1.00 0.25 C ATOM 838 O SER A 89 -8.642 -6.752 -3.962 1.00 0.32 O ATOM 839 CB SER A 89 -10.470 -4.324 -4.918 1.00 0.33 C ATOM 840 OG SER A 89 -11.199 -4.050 -3.730 1.00 0.64 O ATOM 841 HG SER A 89 -12.135 -4.354 -3.841 1.00 0.00 H ATOM 842 H SER A 89 -12.619 -5.710 -5.291 1.00 0.00 H ATOM 843 N PHE A 90 -10.729 -7.173 -3.238 1.00 0.24 N ATOM 844 CA PHE A 90 -10.296 -7.954 -2.084 1.00 0.25 C ATOM 845 C PHE A 90 -9.802 -9.333 -2.519 1.00 0.27 C ATOM 846 O PHE A 90 -8.865 -9.884 -1.940 1.00 0.28 O ATOM 847 CB PHE A 90 -11.444 -8.086 -1.081 1.00 0.29 C ATOM 848 CG PHE A 90 -11.146 -9.009 0.068 1.00 0.29 C ATOM 849 CD1 PHE A 90 -10.063 -8.777 0.903 1.00 0.26 C ATOM 850 CD2 PHE A 90 -11.951 -10.109 0.315 1.00 0.38 C ATOM 851 CE1 PHE A 90 -9.791 -9.624 1.958 1.00 0.31 C ATOM 852 CE2 PHE A 90 -11.682 -10.958 1.369 1.00 0.42 C ATOM 853 CZ PHE A 90 -10.603 -10.717 2.191 1.00 0.39 C ATOM 854 H PHE A 90 -11.747 -7.043 -3.406 1.00 0.00 H ATOM 855 N GLU A 91 -10.422 -9.887 -3.545 1.00 0.32 N ATOM 856 CA GLU A 91 -10.030 -11.198 -4.041 1.00 0.40 C ATOM 857 C GLU A 91 -8.723 -11.104 -4.817 1.00 0.39 C ATOM 858 O GLU A 91 -7.974 -12.076 -4.918 1.00 0.49 O ATOM 859 CB GLU A 91 -11.129 -11.786 -4.923 1.00 0.51 C ATOM 860 CG GLU A 91 -12.429 -12.020 -4.178 1.00 0.59 C ATOM 861 CD GLU A 91 -12.346 -13.173 -3.193 1.00 0.75 C ATOM 862 OE1 GLU A 91 -13.383 -13.828 -2.961 1.00 1.44 O ATOM 863 OE2 GLU A 91 -11.248 -13.437 -2.652 1.00 1.09 O ATOM 864 H GLU A 91 -11.203 -9.378 -4.006 1.00 0.00 H ATOM 865 N ASP A 92 -8.444 -9.917 -5.339 1.00 0.35 N ATOM 866 CA ASP A 92 -7.230 -9.677 -6.114 1.00 0.37 C ATOM 867 C ASP A 92 -5.994 -9.673 -5.219 1.00 0.31 C ATOM 868 O ASP A 92 -4.862 -9.759 -5.704 1.00 0.31 O ATOM 869 CB ASP A 92 -7.341 -8.349 -6.861 1.00 0.43 C ATOM 870 CG ASP A 92 -6.607 -8.368 -8.185 1.00 0.53 C ATOM 871 OD1 ASP A 92 -6.761 -9.352 -8.940 1.00 1.02 O ATOM 872 OD2 ASP A 92 -5.900 -7.392 -8.492 1.00 0.99 O ATOM 873 H ASP A 92 -9.111 -9.133 -5.192 1.00 0.00 H ATOM 874 N ILE A 93 -6.221 -9.580 -3.909 1.00 0.28 N ATOM 875 CA ILE A 93 -5.135 -9.580 -2.931 1.00 0.25 C ATOM 876 C ILE A 93 -4.301 -10.856 -3.060 1.00 0.24 C ATOM 877 O ILE A 93 -3.079 -10.832 -2.903 1.00 0.25 O ATOM 878 CB ILE A 93 -5.675 -9.461 -1.480 1.00 0.29 C ATOM 879 CG1 ILE A 93 -6.406 -8.126 -1.280 1.00 0.32 C ATOM 880 CG2 ILE A 93 -4.550 -9.601 -0.461 1.00 0.35 C ATOM 881 CD1 ILE A 93 -5.493 -6.919 -1.310 1.00 0.42 C ATOM 882 H ILE A 93 -7.202 -9.505 -3.572 1.00 0.00 H ATOM 883 N HIS A 94 -4.972 -11.966 -3.372 1.00 0.26 N ATOM 884 CA HIS A 94 -4.296 -13.254 -3.530 1.00 0.30 C ATOM 885 C HIS A 94 -3.277 -13.189 -4.664 1.00 0.30 C ATOM 886 O HIS A 94 -2.143 -13.644 -4.523 1.00 0.38 O ATOM 887 CB HIS A 94 -5.303 -14.376 -3.822 1.00 0.35 C ATOM 888 CG HIS A 94 -6.171 -14.763 -2.658 1.00 0.46 C ATOM 889 ND1 HIS A 94 -5.740 -15.562 -1.621 1.00 0.73 N ATOM 890 CD2 HIS A 94 -7.470 -14.484 -2.397 1.00 0.70 C ATOM 891 CE1 HIS A 94 -6.735 -15.756 -0.775 1.00 0.83 C ATOM 892 NE2 HIS A 94 -7.796 -15.111 -1.224 1.00 0.79 N ATOM 893 H HIS A 94 -6.002 -11.915 -3.506 1.00 0.00 H ATOM 894 N HIS A 95 -3.689 -12.602 -5.781 1.00 0.27 N ATOM 895 CA HIS A 95 -2.830 -12.478 -6.951 1.00 0.30 C ATOM 896 C HIS A 95 -1.609 -11.604 -6.667 1.00 0.26 C ATOM 897 O HIS A 95 -0.484 -11.988 -6.981 1.00 0.26 O ATOM 898 CB HIS A 95 -3.627 -11.898 -8.127 1.00 0.37 C ATOM 899 CG HIS A 95 -2.831 -11.733 -9.389 1.00 0.50 C ATOM 900 ND1 HIS A 95 -2.594 -12.763 -10.273 1.00 0.72 N ATOM 901 CD2 HIS A 95 -2.225 -10.644 -9.915 1.00 0.65 C ATOM 902 CE1 HIS A 95 -1.878 -12.317 -11.285 1.00 0.79 C ATOM 903 NE2 HIS A 95 -1.641 -11.035 -11.091 1.00 0.72 N ATOM 904 H HIS A 95 -4.655 -12.219 -5.822 1.00 0.00 H ATOM 905 N TYR A 96 -1.836 -10.439 -6.071 1.00 0.29 N ATOM 906 CA TYR A 96 -0.748 -9.509 -5.772 1.00 0.29 C ATOM 907 C TYR A 96 0.289 -10.119 -4.835 1.00 0.24 C ATOM 908 O TYR A 96 1.481 -10.111 -5.143 1.00 0.24 O ATOM 909 CB TYR A 96 -1.293 -8.211 -5.181 1.00 0.38 C ATOM 910 CG TYR A 96 -1.813 -7.254 -6.229 1.00 0.47 C ATOM 911 CD1 TYR A 96 -0.971 -6.749 -7.212 1.00 1.04 C ATOM 912 CD2 TYR A 96 -3.143 -6.864 -6.245 1.00 0.76 C ATOM 913 CE1 TYR A 96 -1.443 -5.885 -8.179 1.00 1.17 C ATOM 914 CE2 TYR A 96 -3.619 -5.997 -7.208 1.00 0.81 C ATOM 915 CZ TYR A 96 -2.767 -5.514 -8.172 1.00 0.75 C ATOM 916 OH TYR A 96 -3.245 -4.658 -9.139 1.00 0.91 O ATOM 917 HH TYR A 96 -3.609 -3.845 -8.707 1.00 0.00 H ATOM 918 H TYR A 96 -2.810 -10.182 -5.811 1.00 0.00 H ATOM 919 N ARG A 97 -0.168 -10.656 -3.709 1.00 0.25 N ATOM 920 CA ARG A 97 0.729 -11.267 -2.730 1.00 0.25 C ATOM 921 C ARG A 97 1.579 -12.353 -3.380 1.00 0.22 C ATOM 922 O ARG A 97 2.798 -12.379 -3.212 1.00 0.29 O ATOM 923 CB ARG A 97 -0.078 -11.856 -1.566 1.00 0.32 C ATOM 924 CG ARG A 97 0.762 -12.585 -0.517 1.00 0.36 C ATOM 925 CD ARG A 97 1.686 -11.644 0.250 1.00 0.39 C ATOM 926 NE ARG A 97 2.232 -12.275 1.462 1.00 0.45 N ATOM 927 CZ ARG A 97 3.122 -11.708 2.283 1.00 0.48 C ATOM 928 NH1 ARG A 97 3.591 -10.488 2.032 1.00 0.48 N ATOM 929 NH2 ARG A 97 3.535 -12.360 3.365 1.00 0.60 N ATOM 930 HE ARG A 97 1.901 -13.233 1.697 1.00 0.00 H ATOM 931 HH12 ARG A 97 4.283 -10.054 2.676 1.00 0.00 H ATOM 932 HH11 ARG A 97 3.265 -9.968 1.192 1.00 0.00 H ATOM 933 HH22 ARG A 97 4.227 -11.920 4.005 1.00 0.00 H ATOM 934 HH21 ARG A 97 3.166 -13.310 3.572 1.00 0.00 H ATOM 935 H ARG A 97 -1.190 -10.641 -3.519 1.00 0.00 H ATOM 936 N GLU A 98 0.930 -13.222 -4.142 1.00 0.22 N ATOM 937 CA GLU A 98 1.612 -14.322 -4.814 1.00 0.24 C ATOM 938 C GLU A 98 2.580 -13.819 -5.885 1.00 0.23 C ATOM 939 O GLU A 98 3.711 -14.302 -5.984 1.00 0.26 O ATOM 940 CB GLU A 98 0.589 -15.264 -5.450 1.00 0.30 C ATOM 941 CG GLU A 98 1.208 -16.431 -6.199 1.00 0.46 C ATOM 942 CD GLU A 98 0.189 -17.186 -7.019 1.00 0.94 C ATOM 943 OE1 GLU A 98 -0.083 -16.775 -8.166 1.00 1.21 O ATOM 944 OE2 GLU A 98 -0.356 -18.193 -6.518 1.00 1.35 O ATOM 945 H GLU A 98 -0.097 -13.116 -4.264 1.00 0.00 H ATOM 946 N GLN A 99 2.130 -12.848 -6.671 1.00 0.23 N ATOM 947 CA GLN A 99 2.934 -12.282 -7.752 1.00 0.25 C ATOM 948 C GLN A 99 4.190 -11.589 -7.233 1.00 0.24 C ATOM 949 O GLN A 99 5.298 -11.917 -7.652 1.00 0.26 O ATOM 950 CB GLN A 99 2.099 -11.295 -8.577 1.00 0.30 C ATOM 951 CG GLN A 99 2.889 -10.566 -9.653 1.00 0.33 C ATOM 952 CD GLN A 99 2.003 -9.778 -10.595 1.00 0.63 C ATOM 953 OE1 GLN A 99 0.909 -9.350 -10.226 1.00 1.15 O ATOM 954 NE2 GLN A 99 2.471 -9.575 -11.814 1.00 1.08 N ATOM 955 HE22 GLN A 99 3.401 -9.955 -12.084 1.00 0.00 H ATOM 956 HE21 GLN A 99 1.909 -9.036 -12.503 1.00 0.00 H ATOM 957 H GLN A 99 1.171 -12.477 -6.512 1.00 0.00 H ATOM 958 N ILE A 100 4.020 -10.650 -6.315 1.00 0.24 N ATOM 959 CA ILE A 100 5.149 -9.909 -5.770 1.00 0.26 C ATOM 960 C ILE A 100 6.130 -10.848 -5.062 1.00 0.24 C ATOM 961 O ILE A 100 7.347 -10.644 -5.116 1.00 0.24 O ATOM 962 CB ILE A 100 4.670 -8.789 -4.822 1.00 0.32 C ATOM 963 CG1 ILE A 100 3.756 -7.826 -5.594 1.00 0.39 C ATOM 964 CG2 ILE A 100 5.851 -8.041 -4.218 1.00 0.34 C ATOM 965 CD1 ILE A 100 3.119 -6.760 -4.732 1.00 0.51 C ATOM 966 H ILE A 100 3.060 -10.437 -5.976 1.00 0.00 H ATOM 967 N LYS A 101 5.601 -11.894 -4.429 1.00 0.25 N ATOM 968 CA LYS A 101 6.441 -12.877 -3.750 1.00 0.27 C ATOM 969 C LYS A 101 7.357 -13.570 -4.753 1.00 0.23 C ATOM 970 O LYS A 101 8.507 -13.888 -4.449 1.00 0.27 O ATOM 971 CB LYS A 101 5.584 -13.924 -3.036 1.00 0.34 C ATOM 972 CG LYS A 101 5.230 -13.559 -1.602 1.00 0.78 C ATOM 973 CD LYS A 101 4.247 -14.557 -1.007 1.00 0.76 C ATOM 974 CE LYS A 101 4.903 -15.903 -0.742 1.00 0.97 C ATOM 975 NZ LYS A 101 3.903 -16.990 -0.570 1.00 1.05 N ATOM 976 HZ1 LYS A 101 3.285 -16.766 0.236 1.00 0.00 H ATOM 977 HZ2 LYS A 101 3.331 -17.073 -1.435 1.00 0.00 H ATOM 978 HZ3 LYS A 101 4.396 -17.888 -0.392 1.00 0.00 H ATOM 979 H LYS A 101 4.568 -12.013 -4.418 1.00 0.00 H ATOM 980 N ARG A 102 6.835 -13.780 -5.960 1.00 0.22 N ATOM 981 CA ARG A 102 7.589 -14.428 -7.028 1.00 0.23 C ATOM 982 C ARG A 102 8.644 -13.487 -7.597 1.00 0.21 C ATOM 983 O ARG A 102 9.769 -13.902 -7.870 1.00 0.26 O ATOM 984 CB ARG A 102 6.658 -14.875 -8.161 1.00 0.29 C ATOM 985 CG ARG A 102 5.730 -16.025 -7.802 1.00 0.35 C ATOM 986 CD ARG A 102 4.778 -16.325 -8.948 1.00 0.44 C ATOM 987 NE ARG A 102 3.961 -17.505 -8.700 1.00 0.58 N ATOM 988 CZ ARG A 102 3.116 -18.020 -9.588 1.00 0.75 C ATOM 989 NH1 ARG A 102 2.980 -17.456 -10.782 1.00 0.89 N ATOM 990 NH2 ARG A 102 2.413 -19.104 -9.283 1.00 0.91 N ATOM 991 HE ARG A 102 4.043 -17.972 -7.774 1.00 0.00 H ATOM 992 HH12 ARG A 102 2.319 -17.860 -11.476 1.00 0.00 H ATOM 993 HH11 ARG A 102 3.535 -16.610 -11.024 1.00 0.00 H ATOM 994 HH22 ARG A 102 1.752 -19.507 -9.977 1.00 0.00 H ATOM 995 HH21 ARG A 102 2.523 -19.550 -8.350 1.00 0.00 H ATOM 996 H ARG A 102 5.859 -13.472 -6.147 1.00 0.00 H ATOM 997 N VAL A 103 8.269 -12.222 -7.766 1.00 0.21 N ATOM 998 CA VAL A 103 9.169 -11.210 -8.312 1.00 0.23 C ATOM 999 C VAL A 103 10.406 -11.033 -7.434 1.00 0.19 C ATOM 1000 O VAL A 103 11.522 -10.919 -7.938 1.00 0.21 O ATOM 1001 CB VAL A 103 8.461 -9.845 -8.459 1.00 0.27 C ATOM 1002 CG1 VAL A 103 9.381 -8.823 -9.101 1.00 0.35 C ATOM 1003 CG2 VAL A 103 7.184 -9.982 -9.268 1.00 0.35 C ATOM 1004 H VAL A 103 7.303 -11.944 -7.500 1.00 0.00 H ATOM 1005 N LYS A 104 10.205 -11.022 -6.125 1.00 0.17 N ATOM 1006 CA LYS A 104 11.309 -10.850 -5.190 1.00 0.16 C ATOM 1007 C LYS A 104 11.928 -12.192 -4.808 1.00 0.18 C ATOM 1008 O LYS A 104 13.027 -12.239 -4.254 1.00 0.28 O ATOM 1009 CB LYS A 104 10.834 -10.121 -3.932 1.00 0.18 C ATOM 1010 CG LYS A 104 10.516 -8.652 -4.164 1.00 0.26 C ATOM 1011 CD LYS A 104 10.075 -7.964 -2.880 1.00 0.32 C ATOM 1012 CE LYS A 104 11.231 -7.775 -1.910 1.00 0.51 C ATOM 1013 NZ LYS A 104 12.090 -6.618 -2.280 1.00 0.63 N ATOM 1014 HZ1 LYS A 104 12.485 -6.771 -3.230 1.00 0.00 H ATOM 1015 HZ2 LYS A 104 11.519 -5.749 -2.277 1.00 0.00 H ATOM 1016 HZ3 LYS A 104 12.864 -6.528 -1.591 1.00 0.00 H ATOM 1017 H LYS A 104 9.239 -11.139 -5.757 1.00 0.00 H ATOM 1018 N ASP A 105 11.214 -13.274 -5.109 1.00 0.17 N ATOM 1019 CA ASP A 105 11.676 -14.627 -4.793 1.00 0.21 C ATOM 1020 C ASP A 105 11.901 -14.760 -3.285 1.00 0.23 C ATOM 1021 O ASP A 105 12.989 -15.111 -2.819 1.00 0.28 O ATOM 1022 CB ASP A 105 12.957 -14.963 -5.576 1.00 0.24 C ATOM 1023 CG ASP A 105 13.424 -16.392 -5.358 1.00 0.34 C ATOM 1024 OD1 ASP A 105 12.648 -17.328 -5.651 1.00 0.43 O ATOM 1025 OD2 ASP A 105 14.571 -16.586 -4.900 1.00 0.47 O ATOM 1026 H ASP A 105 10.297 -13.155 -5.585 1.00 0.00 H ATOM 1027 N SER A 106 10.864 -14.445 -2.521 1.00 0.28 N ATOM 1028 CA SER A 106 10.928 -14.503 -1.068 1.00 0.33 C ATOM 1029 C SER A 106 9.542 -14.707 -0.471 1.00 0.36 C ATOM 1030 O SER A 106 8.561 -14.133 -0.947 1.00 0.56 O ATOM 1031 CB SER A 106 11.545 -13.214 -0.514 1.00 0.36 C ATOM 1032 OG SER A 106 12.877 -13.057 -0.969 1.00 1.14 O ATOM 1033 HG SER A 106 12.884 -13.015 -1.958 1.00 0.00 H ATOM 1034 H SER A 106 9.977 -14.147 -2.974 1.00 0.00 H ATOM 1035 N GLU A 107 9.469 -15.532 0.565 1.00 0.42 N ATOM 1036 CA GLU A 107 8.209 -15.807 1.237 1.00 0.54 C ATOM 1037 C GLU A 107 7.972 -14.784 2.337 1.00 0.42 C ATOM 1038 O GLU A 107 6.837 -14.538 2.747 1.00 0.54 O ATOM 1039 CB GLU A 107 8.216 -17.216 1.828 1.00 0.74 C ATOM 1040 CG GLU A 107 8.080 -18.313 0.783 1.00 1.11 C ATOM 1041 CD GLU A 107 8.682 -19.626 1.236 1.00 1.17 C ATOM 1042 OE1 GLU A 107 9.427 -20.248 0.448 1.00 1.74 O ATOM 1043 OE2 GLU A 107 8.424 -20.041 2.386 1.00 1.46 O ATOM 1044 H GLU A 107 10.336 -15.995 0.906 1.00 0.00 H ATOM 1045 N ASP A 108 9.057 -14.191 2.806 1.00 0.35 N ATOM 1046 CA ASP A 108 8.983 -13.186 3.854 1.00 0.37 C ATOM 1047 C ASP A 108 9.101 -11.792 3.247 1.00 0.29 C ATOM 1048 O ASP A 108 10.191 -11.229 3.145 1.00 0.39 O ATOM 1049 CB ASP A 108 10.084 -13.417 4.896 1.00 0.54 C ATOM 1050 CG ASP A 108 10.080 -12.380 6.004 1.00 0.65 C ATOM 1051 OD1 ASP A 108 9.091 -12.311 6.767 1.00 0.77 O ATOM 1052 OD2 ASP A 108 11.074 -11.636 6.129 1.00 0.78 O ATOM 1053 H ASP A 108 9.986 -14.450 2.416 1.00 0.00 H ATOM 1054 N VAL A 109 7.973 -11.264 2.804 1.00 0.25 N ATOM 1055 CA VAL A 109 7.926 -9.937 2.202 1.00 0.21 C ATOM 1056 C VAL A 109 7.043 -9.014 3.036 1.00 0.18 C ATOM 1057 O VAL A 109 5.852 -9.290 3.221 1.00 0.25 O ATOM 1058 CB VAL A 109 7.394 -9.987 0.748 1.00 0.27 C ATOM 1059 CG1 VAL A 109 7.295 -8.587 0.157 1.00 0.31 C ATOM 1060 CG2 VAL A 109 8.281 -10.870 -0.118 1.00 0.47 C ATOM 1061 H VAL A 109 7.093 -11.812 2.887 1.00 0.00 H ATOM 1062 N PRO A 110 7.624 -7.919 3.562 1.00 0.15 N ATOM 1063 CA PRO A 110 6.900 -6.946 4.390 1.00 0.15 C ATOM 1064 C PRO A 110 5.707 -6.343 3.662 1.00 0.14 C ATOM 1065 O PRO A 110 5.857 -5.657 2.646 1.00 0.17 O ATOM 1066 CB PRO A 110 7.943 -5.864 4.686 1.00 0.18 C ATOM 1067 CG PRO A 110 9.261 -6.508 4.450 1.00 0.25 C ATOM 1068 CD PRO A 110 9.037 -7.542 3.386 1.00 0.23 C ATOM 1069 N MET A 111 4.520 -6.611 4.182 1.00 0.13 N ATOM 1070 CA MET A 111 3.293 -6.107 3.596 1.00 0.14 C ATOM 1071 C MET A 111 2.271 -5.811 4.678 1.00 0.15 C ATOM 1072 O MET A 111 2.310 -6.405 5.753 1.00 0.17 O ATOM 1073 CB MET A 111 2.702 -7.123 2.619 1.00 0.17 C ATOM 1074 CG MET A 111 3.245 -7.011 1.209 1.00 0.24 C ATOM 1075 SD MET A 111 2.656 -8.337 0.139 1.00 0.34 S ATOM 1076 CE MET A 111 3.444 -7.895 -1.401 1.00 0.79 C ATOM 1077 H MET A 111 4.465 -7.201 5.037 1.00 0.00 H ATOM 1078 N VAL A 112 1.378 -4.882 4.398 1.00 0.16 N ATOM 1079 CA VAL A 112 0.322 -4.524 5.332 1.00 0.16 C ATOM 1080 C VAL A 112 -0.998 -4.472 4.585 1.00 0.17 C ATOM 1081 O VAL A 112 -1.105 -3.796 3.560 1.00 0.17 O ATOM 1082 CB VAL A 112 0.581 -3.164 6.019 1.00 0.17 C ATOM 1083 CG1 VAL A 112 -0.540 -2.828 6.988 1.00 0.22 C ATOM 1084 CG2 VAL A 112 1.918 -3.164 6.742 1.00 0.21 C ATOM 1085 H VAL A 112 1.430 -4.391 3.483 1.00 0.00 H ATOM 1086 N LEU A 113 -1.986 -5.208 5.069 1.00 0.18 N ATOM 1087 CA LEU A 113 -3.285 -5.233 4.421 1.00 0.19 C ATOM 1088 C LEU A 113 -4.101 -4.032 4.871 1.00 0.20 C ATOM 1089 O LEU A 113 -4.278 -3.800 6.069 1.00 0.23 O ATOM 1090 CB LEU A 113 -4.017 -6.543 4.721 1.00 0.23 C ATOM 1091 CG LEU A 113 -5.224 -6.844 3.821 1.00 0.23 C ATOM 1092 CD1 LEU A 113 -4.813 -6.890 2.355 1.00 0.26 C ATOM 1093 CD2 LEU A 113 -5.877 -8.155 4.234 1.00 0.29 C ATOM 1094 H LEU A 113 -1.830 -5.776 5.926 1.00 0.00 H ATOM 1095 N VAL A 114 -4.586 -3.264 3.911 1.00 0.23 N ATOM 1096 CA VAL A 114 -5.340 -2.060 4.217 1.00 0.28 C ATOM 1097 C VAL A 114 -6.729 -2.077 3.595 1.00 0.24 C ATOM 1098 O VAL A 114 -6.879 -2.289 2.395 1.00 0.30 O ATOM 1099 CB VAL A 114 -4.588 -0.814 3.712 1.00 0.38 C ATOM 1100 CG1 VAL A 114 -5.113 0.440 4.375 1.00 0.82 C ATOM 1101 CG2 VAL A 114 -3.090 -0.954 3.939 1.00 0.59 C ATOM 1102 H VAL A 114 -4.425 -3.526 2.918 1.00 0.00 H ATOM 1103 N GLY A 115 -7.740 -1.854 4.420 1.00 0.20 N ATOM 1104 CA GLY A 115 -9.105 -1.813 3.935 1.00 0.19 C ATOM 1105 C GLY A 115 -9.608 -0.387 3.875 1.00 0.19 C ATOM 1106 O GLY A 115 -10.057 0.153 4.879 1.00 0.27 O ATOM 1107 H GLY A 115 -7.552 -1.706 5.432 1.00 0.00 H ATOM 1108 N ASN A 116 -9.536 0.229 2.704 1.00 0.16 N ATOM 1109 CA ASN A 116 -9.953 1.618 2.547 1.00 0.15 C ATOM 1110 C ASN A 116 -11.465 1.737 2.381 1.00 0.16 C ATOM 1111 O ASN A 116 -12.154 0.740 2.134 1.00 0.16 O ATOM 1112 CB ASN A 116 -9.248 2.251 1.339 1.00 0.16 C ATOM 1113 CG ASN A 116 -9.385 3.763 1.297 1.00 0.17 C ATOM 1114 OD1 ASN A 116 -9.516 4.419 2.329 1.00 0.19 O ATOM 1115 ND2 ASN A 116 -9.360 4.323 0.100 1.00 0.21 N ATOM 1116 HD22 ASN A 116 -9.247 3.732 -0.748 1.00 0.00 H ATOM 1117 HD21 ASN A 116 -9.453 5.355 0.006 1.00 0.00 H ATOM 1118 H ASN A 116 -9.174 -0.289 1.878 1.00 0.00 H ATOM 1119 N LYS A 117 -11.954 2.976 2.515 1.00 0.18 N ATOM 1120 CA LYS A 117 -13.370 3.314 2.373 1.00 0.21 C ATOM 1121 C LYS A 117 -14.188 2.821 3.562 1.00 0.23 C ATOM 1122 O LYS A 117 -15.370 2.515 3.427 1.00 0.26 O ATOM 1123 CB LYS A 117 -13.944 2.761 1.060 1.00 0.21 C ATOM 1124 CG LYS A 117 -13.177 3.209 -0.177 1.00 0.25 C ATOM 1125 CD LYS A 117 -13.764 2.610 -1.444 1.00 0.31 C ATOM 1126 CE LYS A 117 -12.840 2.808 -2.636 1.00 0.42 C ATOM 1127 NZ LYS A 117 -13.452 2.319 -3.900 1.00 0.54 N ATOM 1128 HZ1 LYS A 117 -13.659 1.304 -3.813 1.00 0.00 H ATOM 1129 HZ2 LYS A 117 -14.334 2.840 -4.081 1.00 0.00 H ATOM 1130 HZ3 LYS A 117 -12.789 2.473 -4.687 1.00 0.00 H ATOM 1131 H LYS A 117 -11.287 3.744 2.733 1.00 0.00 H ATOM 1132 N CYS A 118 -13.570 2.791 4.740 1.00 0.27 N ATOM 1133 CA CYS A 118 -14.256 2.344 5.949 1.00 0.33 C ATOM 1134 C CYS A 118 -15.300 3.366 6.396 1.00 0.38 C ATOM 1135 O CYS A 118 -16.113 3.094 7.281 1.00 0.46 O ATOM 1136 CB CYS A 118 -13.251 2.101 7.080 1.00 0.36 C ATOM 1137 SG CYS A 118 -12.569 3.609 7.810 1.00 0.41 S ATOM 1138 H CYS A 118 -12.577 3.093 4.801 1.00 0.00 H ATOM 1139 N ASP A 119 -15.273 4.540 5.776 1.00 0.38 N ATOM 1140 CA ASP A 119 -16.211 5.606 6.105 1.00 0.45 C ATOM 1141 C ASP A 119 -17.411 5.572 5.169 1.00 0.46 C ATOM 1142 O ASP A 119 -18.341 6.372 5.305 1.00 0.54 O ATOM 1143 CB ASP A 119 -15.523 6.973 6.015 1.00 0.52 C ATOM 1144 CG ASP A 119 -15.199 7.380 4.590 1.00 0.54 C ATOM 1145 OD1 ASP A 119 -14.341 6.718 3.963 1.00 0.44 O ATOM 1146 OD2 ASP A 119 -15.784 8.373 4.107 1.00 0.70 O ATOM 1147 H ASP A 119 -14.562 4.703 5.035 1.00 0.00 H ATOM 1148 N LEU A 120 -17.385 4.644 4.220 1.00 0.42 N ATOM 1149 CA LEU A 120 -18.466 4.501 3.253 1.00 0.45 C ATOM 1150 C LEU A 120 -19.336 3.287 3.577 1.00 0.42 C ATOM 1151 O LEU A 120 -18.888 2.347 4.243 1.00 0.44 O ATOM 1152 CB LEU A 120 -17.901 4.376 1.834 1.00 0.53 C ATOM 1153 CG LEU A 120 -17.283 5.655 1.254 1.00 0.59 C ATOM 1154 CD1 LEU A 120 -16.906 5.441 -0.205 1.00 0.67 C ATOM 1155 CD2 LEU A 120 -18.245 6.830 1.388 1.00 0.62 C ATOM 1156 H LEU A 120 -16.570 4.001 4.165 1.00 0.00 H ATOM 1157 N PRO A 121 -20.603 3.304 3.131 1.00 0.42 N ATOM 1158 CA PRO A 121 -21.532 2.205 3.363 1.00 0.43 C ATOM 1159 C PRO A 121 -21.433 1.133 2.280 1.00 0.48 C ATOM 1160 O PRO A 121 -20.517 1.155 1.452 1.00 0.53 O ATOM 1161 CB PRO A 121 -22.885 2.909 3.302 1.00 0.44 C ATOM 1162 CG PRO A 121 -22.699 4.005 2.308 1.00 0.54 C ATOM 1163 CD PRO A 121 -21.245 4.407 2.380 1.00 0.44 C ATOM 1164 N SER A 122 -22.384 0.204 2.297 1.00 0.52 N ATOM 1165 CA SER A 122 -22.441 -0.882 1.326 1.00 0.59 C ATOM 1166 C SER A 122 -21.179 -1.743 1.386 1.00 0.53 C ATOM 1167 O SER A 122 -20.599 -2.102 0.360 1.00 0.55 O ATOM 1168 CB SER A 122 -22.649 -0.316 -0.080 1.00 0.68 C ATOM 1169 OG SER A 122 -23.594 0.748 -0.065 1.00 0.84 O ATOM 1170 HG SER A 122 -23.711 1.097 -0.984 1.00 0.00 H ATOM 1171 H SER A 122 -23.117 0.254 3.033 1.00 0.00 H ATOM 1172 N ARG A 123 -20.774 -2.082 2.603 1.00 0.47 N ATOM 1173 CA ARG A 123 -19.586 -2.894 2.822 1.00 0.41 C ATOM 1174 C ARG A 123 -19.871 -4.360 2.518 1.00 0.36 C ATOM 1175 O ARG A 123 -20.629 -5.012 3.235 1.00 0.41 O ATOM 1176 CB ARG A 123 -19.109 -2.755 4.271 1.00 0.45 C ATOM 1177 CG ARG A 123 -17.872 -3.581 4.582 1.00 0.42 C ATOM 1178 CD ARG A 123 -17.757 -3.904 6.063 1.00 0.43 C ATOM 1179 NE ARG A 123 -17.668 -2.704 6.888 1.00 0.40 N ATOM 1180 CZ ARG A 123 -16.607 -2.377 7.630 1.00 0.45 C ATOM 1181 NH1 ARG A 123 -15.530 -3.154 7.651 1.00 0.55 N ATOM 1182 NH2 ARG A 123 -16.638 -1.275 8.368 1.00 0.58 N ATOM 1183 HE ARG A 123 -18.485 -2.061 6.899 1.00 0.00 H ATOM 1184 HH12 ARG A 123 -14.709 -2.890 8.233 1.00 0.00 H ATOM 1185 HH11 ARG A 123 -15.507 -4.027 7.086 1.00 0.00 H ATOM 1186 HH22 ARG A 123 -15.815 -1.014 8.948 1.00 0.00 H ATOM 1187 HH21 ARG A 123 -17.485 -0.672 8.366 1.00 0.00 H ATOM 1188 H ARG A 123 -21.322 -1.758 3.425 1.00 0.00 H ATOM 1189 N THR A 124 -19.267 -4.874 1.460 1.00 0.33 N ATOM 1190 CA THR A 124 -19.461 -6.259 1.081 1.00 0.32 C ATOM 1191 C THR A 124 -18.383 -7.136 1.704 1.00 0.30 C ATOM 1192 O THR A 124 -18.618 -8.300 2.025 1.00 0.33 O ATOM 1193 CB THR A 124 -19.439 -6.421 -0.445 1.00 0.38 C ATOM 1194 OG1 THR A 124 -18.398 -5.606 -1.007 1.00 0.65 O ATOM 1195 CG2 THR A 124 -20.782 -6.033 -1.049 1.00 0.81 C ATOM 1196 HG1 THR A 124 -18.390 -5.715 -1.991 1.00 0.00 H ATOM 1197 H THR A 124 -18.640 -4.272 0.889 1.00 0.00 H ATOM 1198 N VAL A 125 -17.201 -6.562 1.888 1.00 0.33 N ATOM 1199 CA VAL A 125 -16.087 -7.283 2.482 1.00 0.32 C ATOM 1200 C VAL A 125 -16.084 -7.083 3.990 1.00 0.35 C ATOM 1201 O VAL A 125 -15.782 -5.991 4.478 1.00 0.37 O ATOM 1202 CB VAL A 125 -14.731 -6.815 1.913 1.00 0.31 C ATOM 1203 CG1 VAL A 125 -13.586 -7.617 2.520 1.00 0.34 C ATOM 1204 CG2 VAL A 125 -14.720 -6.915 0.396 1.00 0.28 C ATOM 1205 H VAL A 125 -17.068 -5.572 1.600 1.00 0.00 H ATOM 1206 N ASP A 126 -16.435 -8.128 4.725 1.00 0.37 N ATOM 1207 CA ASP A 126 -16.468 -8.047 6.175 1.00 0.41 C ATOM 1208 C ASP A 126 -15.051 -7.992 6.740 1.00 0.36 C ATOM 1209 O ASP A 126 -14.112 -8.541 6.152 1.00 0.34 O ATOM 1210 CB ASP A 126 -17.237 -9.233 6.762 1.00 0.47 C ATOM 1211 CG ASP A 126 -17.600 -9.025 8.218 1.00 0.89 C ATOM 1212 OD1 ASP A 126 -17.467 -7.889 8.718 1.00 1.36 O ATOM 1213 OD2 ASP A 126 -18.031 -9.999 8.867 1.00 1.69 O ATOM 1214 H ASP A 126 -16.691 -9.020 4.256 1.00 0.00 H ATOM 1215 N THR A 127 -14.911 -7.328 7.882 1.00 0.36 N ATOM 1216 CA THR A 127 -13.625 -7.170 8.542 1.00 0.33 C ATOM 1217 C THR A 127 -12.979 -8.521 8.848 1.00 0.27 C ATOM 1218 O THR A 127 -11.771 -8.692 8.677 1.00 0.26 O ATOM 1219 CB THR A 127 -13.777 -6.365 9.848 1.00 0.39 C ATOM 1220 OG1 THR A 127 -14.672 -5.261 9.638 1.00 0.82 O ATOM 1221 CG2 THR A 127 -12.431 -5.842 10.330 1.00 0.56 C ATOM 1222 HG1 THR A 127 -14.308 -4.672 8.930 1.00 0.00 H ATOM 1223 H THR A 127 -15.754 -6.905 8.321 1.00 0.00 H ATOM 1224 N LYS A 128 -13.798 -9.485 9.264 1.00 0.28 N ATOM 1225 CA LYS A 128 -13.308 -10.816 9.603 1.00 0.27 C ATOM 1226 C LYS A 128 -12.615 -11.480 8.416 1.00 0.24 C ATOM 1227 O LYS A 128 -11.572 -12.105 8.576 1.00 0.24 O ATOM 1228 CB LYS A 128 -14.450 -11.710 10.090 1.00 0.34 C ATOM 1229 CG LYS A 128 -13.994 -13.115 10.466 1.00 0.39 C ATOM 1230 CD LYS A 128 -15.169 -14.044 10.728 1.00 0.46 C ATOM 1231 CE LYS A 128 -14.704 -15.421 11.187 1.00 0.54 C ATOM 1232 NZ LYS A 128 -14.033 -16.188 10.099 1.00 0.62 N ATOM 1233 HZ1 LYS A 128 -14.697 -16.320 9.309 1.00 0.00 H ATOM 1234 HZ2 LYS A 128 -13.199 -15.661 9.768 1.00 0.00 H ATOM 1235 HZ3 LYS A 128 -13.736 -17.116 10.463 1.00 0.00 H ATOM 1236 H LYS A 128 -14.815 -9.283 9.349 1.00 0.00 H ATOM 1237 N GLN A 129 -13.195 -11.331 7.229 1.00 0.25 N ATOM 1238 CA GLN A 129 -12.635 -11.933 6.023 1.00 0.26 C ATOM 1239 C GLN A 129 -11.237 -11.403 5.756 1.00 0.25 C ATOM 1240 O GLN A 129 -10.311 -12.170 5.494 1.00 0.31 O ATOM 1241 CB GLN A 129 -13.524 -11.647 4.814 1.00 0.30 C ATOM 1242 CG GLN A 129 -14.988 -11.973 5.037 1.00 0.54 C ATOM 1243 CD GLN A 129 -15.842 -11.689 3.819 1.00 0.68 C ATOM 1244 OE1 GLN A 129 -16.954 -11.176 3.935 1.00 0.89 O ATOM 1245 NE2 GLN A 129 -15.337 -12.031 2.643 1.00 0.93 N ATOM 1246 HE22 GLN A 129 -14.392 -12.463 2.588 1.00 0.00 H ATOM 1247 HE21 GLN A 129 -15.885 -11.868 1.774 1.00 0.00 H ATOM 1248 H GLN A 129 -14.069 -10.772 7.158 1.00 0.00 H ATOM 1249 N ALA A 130 -11.089 -10.087 5.839 1.00 0.24 N ATOM 1250 CA ALA A 130 -9.807 -9.449 5.600 1.00 0.27 C ATOM 1251 C ALA A 130 -8.797 -9.811 6.685 1.00 0.25 C ATOM 1252 O ALA A 130 -7.640 -10.129 6.392 1.00 0.27 O ATOM 1253 CB ALA A 130 -9.990 -7.945 5.511 1.00 0.30 C ATOM 1254 H ALA A 130 -11.911 -9.498 6.081 1.00 0.00 H ATOM 1255 N GLN A 131 -9.253 -9.796 7.929 1.00 0.23 N ATOM 1256 CA GLN A 131 -8.404 -10.123 9.064 1.00 0.26 C ATOM 1257 C GLN A 131 -7.930 -11.572 8.961 1.00 0.27 C ATOM 1258 O GLN A 131 -6.765 -11.878 9.221 1.00 0.28 O ATOM 1259 CB GLN A 131 -9.174 -9.900 10.371 1.00 0.28 C ATOM 1260 CG GLN A 131 -8.280 -9.778 11.595 1.00 0.34 C ATOM 1261 CD GLN A 131 -7.315 -8.613 11.502 1.00 0.39 C ATOM 1262 OE1 GLN A 131 -6.196 -8.761 11.016 1.00 0.47 O ATOM 1263 NE2 GLN A 131 -7.730 -7.445 11.967 1.00 0.42 N ATOM 1264 HE22 GLN A 131 -8.684 -7.356 12.372 1.00 0.00 H ATOM 1265 HE21 GLN A 131 -7.102 -6.617 11.927 1.00 0.00 H ATOM 1266 H GLN A 131 -10.247 -9.543 8.099 1.00 0.00 H ATOM 1267 N ASP A 132 -8.842 -12.451 8.549 1.00 0.29 N ATOM 1268 CA ASP A 132 -8.547 -13.874 8.384 1.00 0.33 C ATOM 1269 C ASP A 132 -7.446 -14.085 7.360 1.00 0.28 C ATOM 1270 O ASP A 132 -6.550 -14.906 7.554 1.00 0.30 O ATOM 1271 CB ASP A 132 -9.795 -14.639 7.931 1.00 0.41 C ATOM 1272 CG ASP A 132 -10.606 -15.204 9.081 1.00 0.58 C ATOM 1273 OD1 ASP A 132 -10.068 -15.332 10.200 1.00 1.17 O ATOM 1274 OD2 ASP A 132 -11.791 -15.537 8.866 1.00 1.18 O ATOM 1275 H ASP A 132 -9.802 -12.112 8.336 1.00 0.00 H ATOM 1276 N LEU A 133 -7.525 -13.343 6.264 1.00 0.27 N ATOM 1277 CA LEU A 133 -6.540 -13.444 5.201 1.00 0.26 C ATOM 1278 C LEU A 133 -5.182 -12.940 5.678 1.00 0.21 C ATOM 1279 O LEU A 133 -4.154 -13.589 5.465 1.00 0.20 O ATOM 1280 CB LEU A 133 -7.001 -12.648 3.976 1.00 0.32 C ATOM 1281 CG LEU A 133 -6.178 -12.872 2.708 1.00 0.34 C ATOM 1282 CD1 LEU A 133 -6.261 -14.324 2.268 1.00 0.44 C ATOM 1283 CD2 LEU A 133 -6.645 -11.945 1.596 1.00 0.44 C ATOM 1284 H LEU A 133 -8.313 -12.671 6.163 1.00 0.00 H ATOM 1285 N ALA A 134 -5.191 -11.789 6.342 1.00 0.21 N ATOM 1286 CA ALA A 134 -3.966 -11.182 6.853 1.00 0.21 C ATOM 1287 C ALA A 134 -3.256 -12.105 7.841 1.00 0.22 C ATOM 1288 O ALA A 134 -2.035 -12.272 7.786 1.00 0.25 O ATOM 1289 CB ALA A 134 -4.273 -9.849 7.513 1.00 0.25 C ATOM 1290 H ALA A 134 -6.098 -11.306 6.502 1.00 0.00 H ATOM 1291 N ARG A 135 -4.029 -12.720 8.728 1.00 0.24 N ATOM 1292 CA ARG A 135 -3.477 -13.626 9.727 1.00 0.30 C ATOM 1293 C ARG A 135 -2.845 -14.851 9.064 1.00 0.25 C ATOM 1294 O ARG A 135 -1.881 -15.423 9.579 1.00 0.28 O ATOM 1295 CB ARG A 135 -4.570 -14.057 10.708 1.00 0.41 C ATOM 1296 CG ARG A 135 -4.671 -13.165 11.933 1.00 1.21 C ATOM 1297 CD ARG A 135 -5.716 -13.685 12.912 1.00 1.34 C ATOM 1298 NE ARG A 135 -7.045 -13.131 12.661 1.00 1.20 N ATOM 1299 CZ ARG A 135 -8.022 -13.782 12.023 1.00 1.04 C ATOM 1300 NH1 ARG A 135 -7.820 -15.019 11.574 1.00 1.54 N ATOM 1301 NH2 ARG A 135 -9.205 -13.212 11.841 1.00 1.43 N ATOM 1302 HE ARG A 135 -7.243 -12.168 13.001 1.00 0.00 H ATOM 1303 HH12 ARG A 135 -8.582 -15.523 11.078 1.00 0.00 H ATOM 1304 HH11 ARG A 135 -6.900 -15.481 11.719 1.00 0.00 H ATOM 1305 HH22 ARG A 135 -9.959 -13.727 11.343 1.00 0.00 H ATOM 1306 HH21 ARG A 135 -9.379 -12.250 12.196 1.00 0.00 H ATOM 1307 H ARG A 135 -5.055 -12.551 8.709 1.00 0.00 H ATOM 1308 N SER A 136 -3.385 -15.241 7.912 1.00 0.30 N ATOM 1309 CA SER A 136 -2.864 -16.392 7.177 1.00 0.34 C ATOM 1310 C SER A 136 -1.552 -16.043 6.476 1.00 0.29 C ATOM 1311 O SER A 136 -0.657 -16.883 6.359 1.00 0.36 O ATOM 1312 CB SER A 136 -3.894 -16.889 6.163 1.00 0.43 C ATOM 1313 OG SER A 136 -5.156 -17.075 6.782 1.00 0.68 O ATOM 1314 HG SER A 136 -5.467 -16.214 7.160 1.00 0.00 H ATOM 1315 H SER A 136 -4.195 -14.715 7.526 1.00 0.00 H ATOM 1316 N TYR A 137 -1.442 -14.798 6.020 1.00 0.27 N ATOM 1317 CA TYR A 137 -0.232 -14.326 5.346 1.00 0.26 C ATOM 1318 C TYR A 137 0.865 -14.012 6.362 1.00 0.25 C ATOM 1319 O TYR A 137 2.055 -14.050 6.040 1.00 0.38 O ATOM 1320 CB TYR A 137 -0.519 -13.067 4.513 1.00 0.30 C ATOM 1321 CG TYR A 137 -1.304 -13.307 3.235 1.00 0.38 C ATOM 1322 CD1 TYR A 137 -1.243 -14.524 2.561 1.00 0.66 C ATOM 1323 CD2 TYR A 137 -2.101 -12.305 2.701 1.00 0.54 C ATOM 1324 CE1 TYR A 137 -1.956 -14.729 1.393 1.00 0.74 C ATOM 1325 CE2 TYR A 137 -2.817 -12.502 1.537 1.00 0.65 C ATOM 1326 CZ TYR A 137 -2.745 -13.712 0.887 1.00 0.63 C ATOM 1327 OH TYR A 137 -3.455 -13.898 -0.282 1.00 0.77 O ATOM 1328 HH TYR A 137 -3.297 -14.815 -0.621 1.00 0.00 H ATOM 1329 H TYR A 137 -2.239 -14.142 6.146 1.00 0.00 H ATOM 1330 N GLY A 138 0.452 -13.714 7.588 1.00 0.24 N ATOM 1331 CA GLY A 138 1.399 -13.380 8.634 1.00 0.23 C ATOM 1332 C GLY A 138 1.716 -11.903 8.620 1.00 0.21 C ATOM 1333 O GLY A 138 2.853 -11.493 8.845 1.00 0.25 O ATOM 1334 H GLY A 138 -0.566 -13.720 7.801 1.00 0.00 H ATOM 1335 N ILE A 139 0.700 -11.107 8.331 1.00 0.19 N ATOM 1336 CA ILE A 139 0.845 -9.660 8.265 1.00 0.20 C ATOM 1337 C ILE A 139 -0.323 -8.974 8.979 1.00 0.19 C ATOM 1338 O ILE A 139 -1.347 -9.610 9.241 1.00 0.22 O ATOM 1339 CB ILE A 139 0.915 -9.177 6.797 1.00 0.23 C ATOM 1340 CG1 ILE A 139 -0.225 -9.785 5.980 1.00 0.26 C ATOM 1341 CG2 ILE A 139 2.264 -9.523 6.175 1.00 0.28 C ATOM 1342 CD1 ILE A 139 -1.331 -8.808 5.652 1.00 0.51 C ATOM 1343 H ILE A 139 -0.232 -11.528 8.145 1.00 0.00 H ATOM 1344 N PRO A 140 -0.183 -7.684 9.327 1.00 0.17 N ATOM 1345 CA PRO A 140 -1.229 -6.923 10.001 1.00 0.19 C ATOM 1346 C PRO A 140 -2.249 -6.329 9.027 1.00 0.16 C ATOM 1347 O PRO A 140 -1.940 -6.065 7.859 1.00 0.19 O ATOM 1348 CB PRO A 140 -0.455 -5.797 10.714 1.00 0.24 C ATOM 1349 CG PRO A 140 0.980 -5.937 10.306 1.00 0.36 C ATOM 1350 CD PRO A 140 1.009 -6.856 9.118 1.00 0.20 C ATOM 1351 N PHE A 141 -3.464 -6.129 9.523 1.00 0.19 N ATOM 1352 CA PHE A 141 -4.547 -5.555 8.734 1.00 0.19 C ATOM 1353 C PHE A 141 -5.279 -4.483 9.536 1.00 0.19 C ATOM 1354 O PHE A 141 -5.663 -4.712 10.684 1.00 0.23 O ATOM 1355 CB PHE A 141 -5.544 -6.641 8.304 1.00 0.25 C ATOM 1356 CG PHE A 141 -6.901 -6.096 7.935 1.00 0.27 C ATOM 1357 CD1 PHE A 141 -7.092 -5.421 6.739 1.00 0.27 C ATOM 1358 CD2 PHE A 141 -7.980 -6.244 8.795 1.00 0.34 C ATOM 1359 CE1 PHE A 141 -8.334 -4.906 6.411 1.00 0.31 C ATOM 1360 CE2 PHE A 141 -9.220 -5.734 8.472 1.00 0.38 C ATOM 1361 CZ PHE A 141 -9.398 -5.063 7.279 1.00 0.35 C ATOM 1362 H PHE A 141 -3.650 -6.392 10.512 1.00 0.00 H ATOM 1363 N ILE A 142 -5.472 -3.321 8.930 1.00 0.18 N ATOM 1364 CA ILE A 142 -6.176 -2.218 9.576 1.00 0.21 C ATOM 1365 C ILE A 142 -7.112 -1.534 8.579 1.00 0.19 C ATOM 1366 O ILE A 142 -6.746 -1.324 7.418 1.00 0.20 O ATOM 1367 CB ILE A 142 -5.200 -1.156 10.143 1.00 0.28 C ATOM 1368 CG1 ILE A 142 -4.036 -1.819 10.887 1.00 0.38 C ATOM 1369 CG2 ILE A 142 -5.934 -0.194 11.066 1.00 0.40 C ATOM 1370 CD1 ILE A 142 -2.882 -0.880 11.169 1.00 0.54 C ATOM 1371 H ILE A 142 -5.110 -3.191 7.964 1.00 0.00 H ATOM 1372 N GLU A 143 -8.326 -1.210 9.019 1.00 0.22 N ATOM 1373 CA GLU A 143 -9.292 -0.527 8.167 1.00 0.21 C ATOM 1374 C GLU A 143 -8.918 0.944 8.082 1.00 0.21 C ATOM 1375 O GLU A 143 -8.491 1.539 9.078 1.00 0.27 O ATOM 1376 CB GLU A 143 -10.716 -0.685 8.711 1.00 0.28 C ATOM 1377 CG GLU A 143 -11.240 -2.113 8.644 1.00 0.34 C ATOM 1378 CD GLU A 143 -12.340 -2.379 9.650 1.00 0.54 C ATOM 1379 OE1 GLU A 143 -12.102 -2.164 10.857 1.00 0.87 O ATOM 1380 OE2 GLU A 143 -13.447 -2.800 9.243 1.00 0.88 O ATOM 1381 H GLU A 143 -8.592 -1.450 9.995 1.00 0.00 H ATOM 1382 N THR A 144 -9.085 1.534 6.909 1.00 0.24 N ATOM 1383 CA THR A 144 -8.719 2.925 6.702 1.00 0.27 C ATOM 1384 C THR A 144 -9.744 3.687 5.872 1.00 0.26 C ATOM 1385 O THR A 144 -10.675 3.114 5.305 1.00 0.28 O ATOM 1386 CB THR A 144 -7.362 3.025 5.985 1.00 0.36 C ATOM 1387 OG1 THR A 144 -7.422 2.314 4.744 1.00 0.43 O ATOM 1388 CG2 THR A 144 -6.247 2.459 6.844 1.00 0.36 C ATOM 1389 HG1 THR A 144 -6.548 2.380 4.285 1.00 0.00 H ATOM 1390 H THR A 144 -9.487 0.990 6.119 1.00 0.00 H ATOM 1391 N SER A 145 -9.540 4.993 5.804 1.00 0.25 N ATOM 1392 CA SER A 145 -10.392 5.888 5.040 1.00 0.26 C ATOM 1393 C SER A 145 -9.577 7.111 4.627 1.00 0.26 C ATOM 1394 O SER A 145 -9.081 7.843 5.478 1.00 0.30 O ATOM 1395 CB SER A 145 -11.602 6.318 5.873 1.00 0.27 C ATOM 1396 OG SER A 145 -12.230 7.466 5.320 1.00 0.33 O ATOM 1397 HG SER A 145 -12.537 7.262 4.401 1.00 0.00 H ATOM 1398 H SER A 145 -8.733 5.397 6.321 1.00 0.00 H ATOM 1399 N ALA A 146 -9.425 7.322 3.329 1.00 0.33 N ATOM 1400 CA ALA A 146 -8.666 8.460 2.824 1.00 0.34 C ATOM 1401 C ALA A 146 -9.416 9.764 3.069 1.00 0.29 C ATOM 1402 O ALA A 146 -8.815 10.837 3.152 1.00 0.32 O ATOM 1403 CB ALA A 146 -8.381 8.288 1.340 1.00 0.45 C ATOM 1404 H ALA A 146 -9.857 6.660 2.653 1.00 0.00 H ATOM 1405 N LYS A 147 -10.727 9.665 3.212 1.00 0.33 N ATOM 1406 CA LYS A 147 -11.558 10.839 3.435 1.00 0.40 C ATOM 1407 C LYS A 147 -11.431 11.356 4.872 1.00 0.40 C ATOM 1408 O LYS A 147 -11.362 12.567 5.098 1.00 0.52 O ATOM 1409 CB LYS A 147 -13.016 10.515 3.108 1.00 0.50 C ATOM 1410 CG LYS A 147 -13.824 11.728 2.676 1.00 0.75 C ATOM 1411 CD LYS A 147 -15.208 11.332 2.186 1.00 1.10 C ATOM 1412 CE LYS A 147 -16.147 12.531 2.122 1.00 1.04 C ATOM 1413 NZ LYS A 147 -17.462 12.190 1.510 1.00 1.32 N ATOM 1414 HZ1 LYS A 147 -17.313 11.846 0.540 1.00 0.00 H ATOM 1415 HZ2 LYS A 147 -17.924 11.449 2.075 1.00 0.00 H ATOM 1416 HZ3 LYS A 147 -18.064 13.038 1.490 1.00 0.00 H ATOM 1417 H LYS A 147 -11.174 8.727 3.164 1.00 0.00 H ATOM 1418 N THR A 148 -11.370 10.446 5.834 1.00 0.37 N ATOM 1419 CA THR A 148 -11.268 10.839 7.237 1.00 0.41 C ATOM 1420 C THR A 148 -9.844 10.691 7.769 1.00 0.42 C ATOM 1421 O THR A 148 -9.554 11.116 8.888 1.00 0.49 O ATOM 1422 CB THR A 148 -12.231 10.012 8.117 1.00 0.43 C ATOM 1423 OG1 THR A 148 -11.967 8.612 7.958 1.00 0.40 O ATOM 1424 CG2 THR A 148 -13.675 10.298 7.741 1.00 0.52 C ATOM 1425 HG1 THR A 148 -12.095 8.359 7.010 1.00 0.00 H ATOM 1426 H THR A 148 -11.395 9.436 5.586 1.00 0.00 H ATOM 1427 N ARG A 149 -8.967 10.089 6.966 1.00 0.39 N ATOM 1428 CA ARG A 149 -7.566 9.867 7.348 1.00 0.46 C ATOM 1429 C ARG A 149 -7.479 8.896 8.536 1.00 0.48 C ATOM 1430 O ARG A 149 -6.494 8.873 9.276 1.00 0.66 O ATOM 1431 CB ARG A 149 -6.862 11.198 7.683 1.00 0.54 C ATOM 1432 CG ARG A 149 -5.341 11.100 7.694 1.00 0.98 C ATOM 1433 CD ARG A 149 -4.701 12.329 8.317 1.00 0.93 C ATOM 1434 NE ARG A 149 -3.423 12.008 8.958 1.00 1.19 N ATOM 1435 CZ ARG A 149 -2.613 12.924 9.498 1.00 1.06 C ATOM 1436 NH1 ARG A 149 -2.953 14.207 9.474 1.00 1.53 N ATOM 1437 NH2 ARG A 149 -1.478 12.552 10.073 1.00 1.39 N ATOM 1438 HE ARG A 149 -3.130 11.011 8.995 1.00 0.00 H ATOM 1439 HH12 ARG A 149 -2.323 14.920 9.894 1.00 0.00 H ATOM 1440 HH11 ARG A 149 -3.849 14.499 9.035 1.00 0.00 H ATOM 1441 HH22 ARG A 149 -0.849 13.266 10.493 1.00 0.00 H ATOM 1442 HH21 ARG A 149 -1.216 11.546 10.105 1.00 0.00 H ATOM 1443 H ARG A 149 -9.287 9.763 6.032 1.00 0.00 H ATOM 1444 N GLN A 150 -8.513 8.085 8.703 1.00 0.40 N ATOM 1445 CA GLN A 150 -8.560 7.120 9.789 1.00 0.42 C ATOM 1446 C GLN A 150 -7.772 5.864 9.445 1.00 0.42 C ATOM 1447 O GLN A 150 -7.948 5.284 8.373 1.00 0.51 O ATOM 1448 CB GLN A 150 -10.012 6.752 10.094 1.00 0.48 C ATOM 1449 CG GLN A 150 -10.144 5.578 11.047 1.00 0.52 C ATOM 1450 CD GLN A 150 -11.587 5.229 11.354 1.00 0.69 C ATOM 1451 OE1 GLN A 150 -12.457 6.102 11.354 1.00 0.87 O ATOM 1452 NE2 GLN A 150 -11.855 3.959 11.623 1.00 0.87 N ATOM 1453 HE22 GLN A 150 -11.092 3.253 11.613 1.00 0.00 H ATOM 1454 HE21 GLN A 150 -12.829 3.669 11.845 1.00 0.00 H ATOM 1455 H GLN A 150 -9.312 8.140 8.040 1.00 0.00 H ATOM 1456 N GLY A 151 -6.863 5.485 10.335 1.00 0.42 N ATOM 1457 CA GLY A 151 -6.071 4.282 10.144 1.00 0.51 C ATOM 1458 C GLY A 151 -4.926 4.449 9.161 1.00 0.45 C ATOM 1459 O GLY A 151 -3.930 3.734 9.243 1.00 0.42 O ATOM 1460 H GLY A 151 -6.714 6.062 11.188 1.00 0.00 H ATOM 1461 N VAL A 152 -5.065 5.390 8.237 1.00 0.49 N ATOM 1462 CA VAL A 152 -4.047 5.641 7.220 1.00 0.50 C ATOM 1463 C VAL A 152 -2.694 5.961 7.852 1.00 0.39 C ATOM 1464 O VAL A 152 -1.656 5.468 7.405 1.00 0.41 O ATOM 1465 CB VAL A 152 -4.459 6.793 6.281 1.00 0.61 C ATOM 1466 CG1 VAL A 152 -3.569 6.824 5.045 1.00 0.74 C ATOM 1467 CG2 VAL A 152 -5.925 6.667 5.890 1.00 0.67 C ATOM 1468 H VAL A 152 -5.929 5.969 8.236 1.00 0.00 H ATOM 1469 N ASP A 153 -2.715 6.766 8.904 1.00 0.37 N ATOM 1470 CA ASP A 153 -1.491 7.146 9.599 1.00 0.38 C ATOM 1471 C ASP A 153 -0.812 5.909 10.181 1.00 0.32 C ATOM 1472 O ASP A 153 0.390 5.703 10.020 1.00 0.33 O ATOM 1473 CB ASP A 153 -1.816 8.142 10.714 1.00 0.51 C ATOM 1474 CG ASP A 153 -0.622 8.986 11.124 1.00 0.87 C ATOM 1475 OD1 ASP A 153 0.148 8.554 12.010 1.00 1.62 O ATOM 1476 OD2 ASP A 153 -0.469 10.100 10.575 1.00 1.24 O ATOM 1477 H ASP A 153 -3.626 7.136 9.242 1.00 0.00 H ATOM 1478 N ASP A 154 -1.613 5.077 10.830 1.00 0.31 N ATOM 1479 CA ASP A 154 -1.122 3.849 11.448 1.00 0.32 C ATOM 1480 C ASP A 154 -0.612 2.869 10.401 1.00 0.31 C ATOM 1481 O ASP A 154 0.465 2.294 10.557 1.00 0.34 O ATOM 1482 CB ASP A 154 -2.230 3.182 12.270 1.00 0.38 C ATOM 1483 CG ASP A 154 -2.291 3.695 13.693 1.00 0.71 C ATOM 1484 OD1 ASP A 154 -2.805 4.818 13.904 1.00 0.99 O ATOM 1485 OD2 ASP A 154 -1.846 2.970 14.612 1.00 1.00 O ATOM 1486 H ASP A 154 -2.625 5.306 10.902 1.00 0.00 H ATOM 1487 N ALA A 155 -1.389 2.689 9.336 1.00 0.30 N ATOM 1488 CA ALA A 155 -1.039 1.765 8.261 1.00 0.32 C ATOM 1489 C ALA A 155 0.346 2.063 7.688 1.00 0.29 C ATOM 1490 O ALA A 155 1.190 1.168 7.581 1.00 0.31 O ATOM 1491 CB ALA A 155 -2.088 1.820 7.158 1.00 0.37 C ATOM 1492 H ALA A 155 -2.277 3.226 9.267 1.00 0.00 H ATOM 1493 N PHE A 156 0.576 3.322 7.332 1.00 0.28 N ATOM 1494 CA PHE A 156 1.854 3.738 6.763 1.00 0.30 C ATOM 1495 C PHE A 156 2.998 3.526 7.754 1.00 0.29 C ATOM 1496 O PHE A 156 4.094 3.117 7.367 1.00 0.33 O ATOM 1497 CB PHE A 156 1.799 5.203 6.328 1.00 0.36 C ATOM 1498 CG PHE A 156 1.372 5.391 4.897 1.00 0.55 C ATOM 1499 CD1 PHE A 156 2.195 4.991 3.852 1.00 1.21 C ATOM 1500 CD2 PHE A 156 0.152 5.976 4.593 1.00 0.92 C ATOM 1501 CE1 PHE A 156 1.809 5.171 2.536 1.00 1.46 C ATOM 1502 CE2 PHE A 156 -0.239 6.158 3.281 1.00 1.05 C ATOM 1503 CZ PHE A 156 0.589 5.756 2.250 1.00 1.11 C ATOM 1504 H PHE A 156 -0.175 4.030 7.462 1.00 0.00 H ATOM 1505 N TYR A 157 2.741 3.808 9.028 1.00 0.29 N ATOM 1506 CA TYR A 157 3.751 3.637 10.071 1.00 0.34 C ATOM 1507 C TYR A 157 4.058 2.157 10.280 1.00 0.32 C ATOM 1508 O TYR A 157 5.214 1.767 10.448 1.00 0.35 O ATOM 1509 CB TYR A 157 3.282 4.255 11.394 1.00 0.43 C ATOM 1510 CG TYR A 157 3.449 5.759 11.480 1.00 0.47 C ATOM 1511 CD1 TYR A 157 3.318 6.566 10.355 1.00 0.86 C ATOM 1512 CD2 TYR A 157 3.734 6.370 12.695 1.00 0.88 C ATOM 1513 CE1 TYR A 157 3.470 7.938 10.441 1.00 0.98 C ATOM 1514 CE2 TYR A 157 3.884 7.741 12.788 1.00 0.98 C ATOM 1515 CZ TYR A 157 3.751 8.521 11.659 1.00 0.79 C ATOM 1516 OH TYR A 157 3.910 9.885 11.747 1.00 0.99 O ATOM 1517 HH TYR A 157 3.782 10.289 10.852 1.00 0.00 H ATOM 1518 H TYR A 157 1.797 4.159 9.289 1.00 0.00 H ATOM 1519 N THR A 158 3.016 1.342 10.259 1.00 0.29 N ATOM 1520 CA THR A 158 3.158 -0.093 10.443 1.00 0.28 C ATOM 1521 C THR A 158 4.012 -0.693 9.325 1.00 0.25 C ATOM 1522 O THR A 158 4.859 -1.548 9.576 1.00 0.29 O ATOM 1523 CB THR A 158 1.780 -0.789 10.469 1.00 0.29 C ATOM 1524 OG1 THR A 158 0.939 -0.190 11.471 1.00 0.30 O ATOM 1525 CG2 THR A 158 1.923 -2.279 10.748 1.00 0.34 C ATOM 1526 HG1 THR A 158 0.814 0.770 11.264 1.00 0.00 H ATOM 1527 H THR A 158 2.067 1.740 10.106 1.00 0.00 H ATOM 1528 N LEU A 159 3.808 -0.218 8.098 1.00 0.23 N ATOM 1529 CA LEU A 159 4.563 -0.718 6.956 1.00 0.23 C ATOM 1530 C LEU A 159 6.062 -0.506 7.162 1.00 0.22 C ATOM 1531 O LEU A 159 6.866 -1.401 6.902 1.00 0.21 O ATOM 1532 CB LEU A 159 4.109 -0.026 5.671 1.00 0.25 C ATOM 1533 CG LEU A 159 4.732 -0.575 4.388 1.00 0.28 C ATOM 1534 CD1 LEU A 159 4.339 -2.025 4.178 1.00 0.40 C ATOM 1535 CD2 LEU A 159 4.325 0.265 3.193 1.00 0.42 C ATOM 1536 H LEU A 159 3.095 0.525 7.951 1.00 0.00 H ATOM 1537 N VAL A 160 6.429 0.674 7.655 1.00 0.26 N ATOM 1538 CA VAL A 160 7.833 0.994 7.899 1.00 0.29 C ATOM 1539 C VAL A 160 8.421 0.050 8.935 1.00 0.27 C ATOM 1540 O VAL A 160 9.535 -0.454 8.776 1.00 0.28 O ATOM 1541 CB VAL A 160 8.027 2.445 8.388 1.00 0.37 C ATOM 1542 CG1 VAL A 160 9.508 2.775 8.535 1.00 0.55 C ATOM 1543 CG2 VAL A 160 7.351 3.421 7.440 1.00 0.34 C ATOM 1544 H VAL A 160 5.700 1.384 7.871 1.00 0.00 H ATOM 1545 N ARG A 161 7.657 -0.198 9.990 1.00 0.26 N ATOM 1546 CA ARG A 161 8.097 -1.081 11.054 1.00 0.28 C ATOM 1547 C ARG A 161 8.200 -2.515 10.554 1.00 0.23 C ATOM 1548 O ARG A 161 9.077 -3.264 10.981 1.00 0.23 O ATOM 1549 CB ARG A 161 7.159 -0.979 12.253 1.00 0.37 C ATOM 1550 CG ARG A 161 7.412 0.260 13.095 1.00 0.51 C ATOM 1551 CD ARG A 161 6.298 0.511 14.094 1.00 0.61 C ATOM 1552 NE ARG A 161 6.598 1.649 14.965 1.00 0.64 N ATOM 1553 CZ ARG A 161 5.684 2.520 15.395 1.00 0.76 C ATOM 1554 NH1 ARG A 161 4.413 2.381 15.035 1.00 0.82 N ATOM 1555 NH2 ARG A 161 6.045 3.524 16.188 1.00 0.90 N ATOM 1556 HE ARG A 161 7.584 1.787 15.267 1.00 0.00 H ATOM 1557 HH12 ARG A 161 3.700 3.060 15.370 1.00 0.00 H ATOM 1558 HH11 ARG A 161 4.131 1.593 14.418 1.00 0.00 H ATOM 1559 HH22 ARG A 161 5.333 4.203 16.524 1.00 0.00 H ATOM 1560 HH21 ARG A 161 7.040 3.630 16.473 1.00 0.00 H ATOM 1561 H ARG A 161 6.721 0.251 10.056 1.00 0.00 H ATOM 1562 N GLU A 162 7.309 -2.899 9.646 1.00 0.22 N ATOM 1563 CA GLU A 162 7.349 -4.239 9.077 1.00 0.22 C ATOM 1564 C GLU A 162 8.625 -4.399 8.257 1.00 0.21 C ATOM 1565 O GLU A 162 9.239 -5.469 8.238 1.00 0.25 O ATOM 1566 CB GLU A 162 6.116 -4.506 8.208 1.00 0.25 C ATOM 1567 CG GLU A 162 4.828 -4.667 9.003 1.00 0.31 C ATOM 1568 CD GLU A 162 5.001 -5.539 10.228 1.00 0.52 C ATOM 1569 OE1 GLU A 162 5.266 -6.753 10.068 1.00 0.73 O ATOM 1570 OE2 GLU A 162 4.876 -5.019 11.360 1.00 0.68 O ATOM 1571 H GLU A 162 6.572 -2.233 9.337 1.00 0.00 H ATOM 1572 N ILE A 163 9.020 -3.318 7.586 1.00 0.20 N ATOM 1573 CA ILE A 163 10.241 -3.307 6.793 1.00 0.23 C ATOM 1574 C ILE A 163 11.437 -3.503 7.716 1.00 0.22 C ATOM 1575 O ILE A 163 12.298 -4.351 7.467 1.00 0.22 O ATOM 1576 CB ILE A 163 10.418 -1.980 6.016 1.00 0.29 C ATOM 1577 CG1 ILE A 163 9.273 -1.773 5.023 1.00 0.27 C ATOM 1578 CG2 ILE A 163 11.755 -1.969 5.291 1.00 0.42 C ATOM 1579 CD1 ILE A 163 9.274 -0.402 4.383 1.00 0.31 C ATOM 1580 H ILE A 163 8.439 -2.457 7.630 1.00 0.00 H ATOM 1581 N ARG A 164 11.462 -2.726 8.797 1.00 0.22 N ATOM 1582 CA ARG A 164 12.536 -2.805 9.780 1.00 0.23 C ATOM 1583 C ARG A 164 12.580 -4.196 10.388 1.00 0.23 C ATOM 1584 O ARG A 164 13.647 -4.777 10.541 1.00 0.25 O ATOM 1585 CB ARG A 164 12.341 -1.767 10.884 1.00 0.26 C ATOM 1586 CG ARG A 164 12.561 -0.337 10.431 1.00 0.33 C ATOM 1587 CD ARG A 164 12.439 0.632 11.595 1.00 0.42 C ATOM 1588 NE ARG A 164 12.690 2.016 11.193 1.00 0.55 N ATOM 1589 CZ ARG A 164 12.107 3.070 11.764 1.00 0.66 C ATOM 1590 NH1 ARG A 164 11.244 2.893 12.756 1.00 0.69 N ATOM 1591 NH2 ARG A 164 12.389 4.301 11.347 1.00 0.87 N ATOM 1592 HE ARG A 164 13.362 2.187 10.418 1.00 0.00 H ATOM 1593 HH12 ARG A 164 10.789 3.715 13.202 1.00 0.00 H ATOM 1594 HH11 ARG A 164 11.023 1.932 13.088 1.00 0.00 H ATOM 1595 HH22 ARG A 164 11.931 5.120 11.796 1.00 0.00 H ATOM 1596 HH21 ARG A 164 13.067 4.445 10.572 1.00 0.00 H ATOM 1597 H ARG A 164 10.692 -2.042 8.945 1.00 0.00 H ATOM 1598 N LYS A 165 11.404 -4.722 10.713 1.00 0.27 N ATOM 1599 CA LYS A 165 11.276 -6.055 11.287 1.00 0.32 C ATOM 1600 C LYS A 165 11.936 -7.093 10.380 1.00 0.31 C ATOM 1601 O LYS A 165 12.647 -7.980 10.849 1.00 0.33 O ATOM 1602 CB LYS A 165 9.795 -6.396 11.488 1.00 0.43 C ATOM 1603 CG LYS A 165 9.556 -7.700 12.228 1.00 0.87 C ATOM 1604 CD LYS A 165 8.125 -8.182 12.061 1.00 0.97 C ATOM 1605 CE LYS A 165 7.143 -7.336 12.862 1.00 0.74 C ATOM 1606 NZ LYS A 165 5.733 -7.652 12.518 1.00 0.80 N ATOM 1607 HZ1 LYS A 165 5.574 -7.467 11.507 1.00 0.00 H ATOM 1608 HZ2 LYS A 165 5.544 -8.654 12.723 1.00 0.00 H ATOM 1609 HZ3 LYS A 165 5.097 -7.055 13.085 1.00 0.00 H ATOM 1610 H LYS A 165 10.543 -4.161 10.552 1.00 0.00 H ATOM 1611 N HIS A 166 11.714 -6.954 9.077 1.00 0.31 N ATOM 1612 CA HIS A 166 12.271 -7.872 8.086 1.00 0.32 C ATOM 1613 C HIS A 166 13.780 -7.691 7.944 1.00 0.29 C ATOM 1614 O HIS A 166 14.507 -8.644 7.658 1.00 0.34 O ATOM 1615 CB HIS A 166 11.565 -7.655 6.733 1.00 0.37 C ATOM 1616 CG HIS A 166 12.286 -8.206 5.530 1.00 0.46 C ATOM 1617 ND1 HIS A 166 12.185 -9.519 5.113 1.00 0.60 N ATOM 1618 CD2 HIS A 166 13.104 -7.598 4.634 1.00 0.54 C ATOM 1619 CE1 HIS A 166 12.906 -9.689 4.019 1.00 0.71 C ATOM 1620 NE2 HIS A 166 13.470 -8.541 3.709 1.00 0.67 N ATOM 1621 H HIS A 166 11.122 -6.163 8.751 1.00 0.00 H ATOM 1622 N LYS A 167 14.250 -6.471 8.150 1.00 0.27 N ATOM 1623 CA LYS A 167 15.666 -6.172 8.018 1.00 0.30 C ATOM 1624 C LYS A 167 16.416 -6.424 9.323 1.00 0.29 C ATOM 1625 O LYS A 167 17.638 -6.309 9.368 1.00 0.40 O ATOM 1626 CB LYS A 167 15.859 -4.724 7.554 1.00 0.37 C ATOM 1627 CG LYS A 167 15.187 -4.427 6.219 1.00 0.45 C ATOM 1628 CD LYS A 167 15.270 -2.951 5.859 1.00 0.62 C ATOM 1629 CE LYS A 167 16.629 -2.594 5.278 1.00 1.11 C ATOM 1630 NZ LYS A 167 16.634 -1.235 4.678 1.00 0.97 N ATOM 1631 HZ1 LYS A 167 15.930 -1.192 3.913 1.00 0.00 H ATOM 1632 HZ2 LYS A 167 16.397 -0.534 5.409 1.00 0.00 H ATOM 1633 HZ3 LYS A 167 17.578 -1.031 4.293 1.00 0.00 H ATOM 1634 H LYS A 167 13.592 -5.710 8.412 1.00 0.00 H ATOM 1635 N GLU A 168 15.690 -6.770 10.380 1.00 0.26 N ATOM 1636 CA GLU A 168 16.320 -7.045 11.667 1.00 0.29 C ATOM 1637 C GLU A 168 16.086 -8.492 12.097 1.00 0.33 C ATOM 1638 O GLU A 168 16.305 -8.855 13.256 1.00 0.47 O ATOM 1639 CB GLU A 168 15.816 -6.077 12.743 1.00 0.35 C ATOM 1640 CG GLU A 168 14.405 -6.353 13.240 1.00 0.42 C ATOM 1641 CD GLU A 168 14.147 -5.731 14.599 1.00 0.63 C ATOM 1642 OE1 GLU A 168 14.903 -6.034 15.544 1.00 0.94 O ATOM 1643 OE2 GLU A 168 13.194 -4.936 14.733 1.00 1.12 O ATOM 1644 H GLU A 168 14.657 -6.846 10.289 1.00 0.00 H ATOM 1645 N LYS A 169 15.637 -9.311 11.156 1.00 0.34 N ATOM 1646 CA LYS A 169 15.385 -10.719 11.429 1.00 0.41 C ATOM 1647 C LYS A 169 16.709 -11.455 11.609 1.00 0.59 C ATOM 1648 O LYS A 169 17.435 -11.626 10.607 1.00 0.72 O ATOM 1649 CB LYS A 169 14.575 -11.357 10.290 1.00 0.43 C ATOM 1650 CG LYS A 169 13.120 -10.922 10.249 1.00 0.69 C ATOM 1651 CD LYS A 169 12.421 -11.419 8.993 1.00 0.81 C ATOM 1652 CE LYS A 169 11.728 -12.753 9.217 1.00 1.07 C ATOM 1653 NZ LYS A 169 10.256 -12.593 9.357 1.00 1.47 N ATOM 1654 OXT LYS A 169 17.026 -11.844 12.755 1.00 0.82 O ATOM 1655 HZ1 LYS A 169 10.051 -11.977 10.170 1.00 0.00 H ATOM 1656 HZ2 LYS A 169 9.871 -12.165 8.491 1.00 0.00 H ATOM 1657 HZ3 LYS A 169 9.820 -13.525 9.508 1.00 0.00 H ATOM 1658 H LYS A 169 15.461 -8.939 10.201 1.00 0.00 H TER 1659 LYS A 169 HETATM 1660 MG MG A 1 -2.520 6.804 -7.842 1.00 0.45 MG HETATM 1661 C5 QPD A 2 10.412 1.400 -4.879 1.00 -0.08 C HETATM 1662 C4 QPD A 2 10.767 2.089 -6.032 1.00 -0.07 C HETATM 1663 C4A QPD A 2 10.277 3.308 -6.258 1.00 -0.01 C HETATM 1664 C3 QPD A 2 10.477 4.161 -7.257 1.00 0.05 C HETATM 1665 C8 QPD A 2 10.830 3.776 -8.481 1.00 0.22 C HETATM 1666 O1 QPD A 2 11.052 2.593 -8.733 1.00 -0.40 O HETATM 1667 N9 QPD A 2 10.980 4.773 -9.365 1.00 -0.26 N HETATM 1668 N10 QPD A 2 11.278 4.492 -10.410 1.00 0.39 N HETATM 1669 C11 QPD A 2 10.183 3.797 -11.103 1.00 0.12 C HETATM 1670 C14 QPD A 2 10.538 3.514 -12.416 1.00 0.02 C HETATM 1671 C15 QPD A 2 9.745 2.662 -13.175 1.00 -0.05 C HETATM 1672 C16 QPD A 2 10.159 2.269 -14.444 1.00 -0.07 C HETATM 1673 C17 QPD A 2 11.362 2.737 -14.956 1.00 -0.07 C HETATM 1674 C18 QPD A 2 12.150 3.601 -14.203 1.00 -0.07 C HETATM 1675 C19 QPD A 2 11.736 3.991 -12.936 1.00 -0.05 C HETATM 1676 H12 QPD A 2 12.348 4.668 -12.351 1.00 0.06 H HETATM 1677 H7 QPD A 2 13.087 3.970 -14.605 1.00 0.06 H HETATM 1678 H11 QPD A 2 11.687 2.429 -15.943 1.00 0.06 H HETATM 1679 H2 QPD A 2 9.543 1.598 -15.032 1.00 0.06 H HETATM 1680 H10 QPD A 2 8.802 2.303 -12.778 1.00 0.06 H HETATM 1681 C12 QPD A 2 8.934 4.680 -11.094 1.00 0.23 C HETATM 1682 O2 QPD A 2 9.019 5.904 -10.992 1.00 -0.39 O HETATM 1683 N13 QPD A 2 7.782 4.021 -11.184 1.00 -0.29 N HETATM 1684 H16 QPD A 2 7.781 3.024 -11.265 1.00 0.18 H HETATM 1685 H17 QPD A 2 6.917 4.522 -11.171 1.00 0.18 H HETATM 1686 H9 QPD A 2 9.966 2.855 -10.578 1.00 0.13 H HETATM 1687 H14 QPD A 2 11.513 5.328 -10.921 1.00 0.23 H HETATM 1688 H15 QPD A 2 12.081 3.885 -10.371 1.00 0.23 H HETATM 1689 H13 QPD A 2 10.832 5.727 -9.104 1.00 0.24 H HETATM 1690 C2 QPD A 2 9.781 5.270 -7.028 1.00 0.05 C HETATM 1691 N1 QPD A 2 9.146 5.100 -5.873 1.00 -0.27 N HETATM 1692 C7A QPD A 2 9.446 3.895 -5.399 1.00 0.07 C HETATM 1693 C7 QPD A 2 9.074 3.284 -4.278 1.00 -0.04 C HETATM 1694 C6 QPD A 2 9.550 2.013 -3.980 1.00 -0.08 C HETATM 1695 H8 QPD A 2 9.255 1.511 -3.066 1.00 0.05 H HETATM 1696 H6 QPD A 2 8.396 3.780 -3.593 1.00 0.05 H HETATM 1697 H4 QPD A 2 8.525 5.787 -5.421 1.00 0.23 H HETATM 1698 H5 QPD A 2 9.739 6.151 -7.666 1.00 0.11 H HETATM 1699 H3 QPD A 2 11.443 1.635 -6.748 1.00 0.05 H HETATM 1700 H1 QPD A 2 10.799 0.406 -4.686 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 143 142 144 1660 CONECT 529 528 1660 CONECT 530 528 1660 CONECT 1660 143 529 530 CONECT 1661 1662 1694 1700 CONECT 1662 1661 1663 1699 CONECT 1663 1662 1664 1692 CONECT 1664 1663 1665 1690 CONECT 1665 1664 1666 1667 CONECT 1666 1665 CONECT 1667 1665 1668 1689 CONECT 1668 1667 1669 1687 1688 CONECT 1669 1668 1670 1681 1686 CONECT 1670 1669 1671 1675 CONECT 1671 1670 1672 1680 CONECT 1672 1671 1673 1679 CONECT 1673 1672 1674 1678 CONECT 1674 1673 1675 1677 CONECT 1675 1670 1674 1676 CONECT 1676 1675 CONECT 1677 1674 CONECT 1678 1673 CONECT 1679 1672 CONECT 1680 1671 CONECT 1681 1669 1682 1683 CONECT 1682 1681 CONECT 1683 1681 1684 1685 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1669 CONECT 1687 1668 CONECT 1688 1668 CONECT 1689 1667 CONECT 1690 1664 1691 1698 CONECT 1691 1690 1692 1697 CONECT 1692 1663 1691 1693 CONECT 1693 1692 1694 1696 CONECT 1694 1661 1693 1695 CONECT 1695 1694 CONECT 1696 1693 CONECT 1697 1691 CONECT 1698 1690 CONECT 1699 1662 CONECT 1700 1661 MASTER 0 0 0 0 0 0 0 0 1699 1 48 13 END
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Related entries of code: 6v5l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
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
6v5l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GDP bound GTPase KRas
Ligand Name
QPD
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=224.17uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemical Biology & Drug Design Vol. 94: pp. 1441-1456
Ligand Properties
Formula
C
1
7
H
1
7
N
4
O
2
Molecular Weight
309.342
Exact Mass
309.135
No. of atoms
40
No. of bonds
42
Polar Surface Area
104.59
LOGP Value
1.73 (
Computed with XLOGP3
)
1.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
O=C(c1c[nH]c2c1cccc2)N[NH2+][C@H](c1ccccc1)C(=O)N
InChI String
InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/p+1/t15-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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