Browse entries in the PDBbind-CN Database
HEADER 6PGO_COMPLEX COMPND 6PGO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS GLY SEQRES 2 A 60 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 60 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 60 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SER LEU SEQRES 5 A 60 LEU ASP ILE LEU ASP THR ALA GLY SEQRES 1 A 100 ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE LEU LEU SEQRES 2 A 100 VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU ASP ILE SEQRES 3 A 100 HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS ASP SER SEQRES 4 A 100 GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SER ASP SEQRES 5 A 100 LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA GLN ASP SEQRES 6 A 100 LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU THR SER SEQRES 7 A 100 ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE TYR THR SEQRES 8 A 100 LEU VAL ARG GLU ILE ARG LYS HIS LYS HET MG A 1 1 HET OJ A 1 59 ATOM 1 N MET A 1 37.947 -5.467 25.529 1.00 43.36 N ATOM 2 CA MET A 1 36.727 -6.267 25.837 1.00 43.10 C ATOM 3 C MET A 1 36.497 -6.214 27.347 1.00 40.68 C ATOM 4 O MET A 1 37.396 -6.555 28.102 1.00 40.73 O ATOM 5 CB MET A 1 36.908 -7.696 25.329 1.00 44.97 C ATOM 6 CG MET A 1 35.687 -8.596 25.453 1.00 46.34 C ATOM 7 SD MET A 1 35.734 -10.076 24.411 1.00 49.21 S ATOM 8 CE MET A 1 37.490 -10.412 24.277 1.00 48.85 C ATOM 9 HN3 MET A 1 38.762 -5.873 26.032 1.00 0.00 H ATOM 10 HN2 MET A 1 37.802 -4.484 25.837 1.00 0.00 H ATOM 11 HN1 MET A 1 38.124 -5.488 24.504 1.00 0.00 H ATOM 12 N THR A 2 35.315 -5.759 27.779 1.00 38.05 N ATOM 13 CA THR A 2 35.015 -5.520 29.200 1.00 36.87 C ATOM 14 C THR A 2 33.586 -5.956 29.522 1.00 35.24 C ATOM 15 O THR A 2 32.706 -5.876 28.673 1.00 34.44 O ATOM 16 CB THR A 2 35.159 -4.026 29.569 1.00 37.20 C ATOM 17 OG1 THR A 2 36.365 -3.490 29.007 1.00 38.03 O ATOM 18 CG2 THR A 2 35.185 -3.830 31.079 1.00 38.02 C ATOM 19 HG1 THR A 2 36.337 -3.579 28.021 1.00 0.00 H ATOM 20 H THR A 2 34.573 -5.565 27.077 1.00 0.00 H ATOM 21 N GLU A 3 33.368 -6.416 30.752 1.00 34.03 N ATOM 22 CA GLU A 3 32.036 -6.778 31.243 1.00 33.57 C ATOM 23 C GLU A 3 31.458 -5.673 32.129 1.00 30.47 C ATOM 24 O GLU A 3 32.200 -4.983 32.833 1.00 30.32 O ATOM 25 CB GLU A 3 32.100 -8.075 32.050 1.00 36.13 C ATOM 26 CG GLU A 3 32.318 -9.328 31.221 1.00 38.80 C ATOM 27 CD GLU A 3 32.208 -10.595 32.047 1.00 41.28 C ATOM 28 OE1 GLU A 3 33.159 -11.402 32.034 1.00 43.59 O ATOM 29 OE2 GLU A 3 31.169 -10.786 32.715 1.00 44.01 O ATOM 30 H GLU A 3 34.180 -6.523 31.393 1.00 0.00 H ATOM 31 N TYR A 4 30.133 -5.523 32.098 1.00 28.28 N ATOM 32 CA TYR A 4 29.430 -4.543 32.941 1.00 27.16 C ATOM 33 C TYR A 4 28.152 -5.129 33.542 1.00 25.83 C ATOM 34 O TYR A 4 27.317 -5.684 32.822 1.00 25.78 O ATOM 35 CB TYR A 4 29.068 -3.299 32.134 1.00 27.00 C ATOM 36 CG TYR A 4 30.267 -2.598 31.541 1.00 27.19 C ATOM 37 CD1 TYR A 4 31.112 -1.822 32.339 1.00 27.94 C ATOM 38 CD2 TYR A 4 30.560 -2.712 30.188 1.00 27.73 C ATOM 39 CE1 TYR A 4 32.220 -1.184 31.804 1.00 28.47 C ATOM 40 CE2 TYR A 4 31.663 -2.075 29.643 1.00 28.02 C ATOM 41 CZ TYR A 4 32.484 -1.312 30.449 1.00 27.89 C ATOM 42 OH TYR A 4 33.575 -0.689 29.889 1.00 28.80 O ATOM 43 HH TYR A 4 34.061 -0.184 30.589 1.00 0.00 H ATOM 44 H TYR A 4 29.576 -6.121 31.454 1.00 0.00 H ATOM 45 N LYS A 5 28.006 -4.995 34.860 1.00 24.72 N ATOM 46 CA LYS A 5 26.784 -5.388 35.564 1.00 24.40 C ATOM 47 C LYS A 5 25.887 -4.170 35.749 1.00 22.17 C ATOM 48 O LYS A 5 26.201 -3.277 36.538 1.00 21.81 O ATOM 49 CB LYS A 5 27.126 -6.026 36.919 1.00 25.85 C ATOM 50 CG LYS A 5 27.885 -7.334 36.745 1.00 28.14 C ATOM 51 CD LYS A 5 28.386 -7.895 38.060 1.00 30.08 C ATOM 52 CE LYS A 5 29.323 -9.084 37.855 1.00 31.58 C ATOM 53 NZ LYS A 5 28.608 -10.282 37.330 1.00 32.58 N ATOM 54 HZ1 LYS A 5 27.868 -10.566 38.004 1.00 0.00 H ATOM 55 HZ2 LYS A 5 28.174 -10.051 36.414 1.00 0.00 H ATOM 56 HZ3 LYS A 5 29.285 -11.062 37.207 1.00 0.00 H ATOM 57 H LYS A 5 28.792 -4.595 35.411 1.00 0.00 H ATOM 58 N LEU A 6 24.782 -4.137 35.008 1.00 20.68 N ATOM 59 CA LEU A 6 23.844 -3.019 35.053 1.00 19.70 C ATOM 60 C LEU A 6 22.563 -3.428 35.777 1.00 19.18 C ATOM 61 O LEU A 6 22.060 -4.533 35.580 1.00 19.77 O ATOM 62 CB LEU A 6 23.494 -2.565 33.638 1.00 19.51 C ATOM 63 CG LEU A 6 24.650 -2.369 32.654 1.00 19.91 C ATOM 64 CD1 LEU A 6 24.118 -1.812 31.347 1.00 20.22 C ATOM 65 CD2 LEU A 6 25.720 -1.465 33.240 1.00 19.86 C ATOM 66 H LEU A 6 24.579 -4.936 34.374 1.00 0.00 H ATOM 67 N VAL A 7 22.028 -2.526 36.594 1.00 18.09 N ATOM 68 CA VAL A 7 20.788 -2.769 37.323 1.00 17.82 C ATOM 69 C VAL A 7 19.762 -1.695 36.955 1.00 17.32 C ATOM 70 O VAL A 7 20.043 -0.505 37.044 1.00 17.40 O ATOM 71 CB VAL A 7 21.018 -2.782 38.848 1.00 18.48 C ATOM 72 CG1 VAL A 7 19.728 -3.119 39.585 1.00 18.44 C ATOM 73 CG2 VAL A 7 22.111 -3.779 39.211 1.00 18.72 C ATOM 74 H VAL A 7 22.511 -1.614 36.718 1.00 0.00 H ATOM 75 N VAL A 8 18.573 -2.138 36.565 1.00 16.27 N ATOM 76 CA VAL A 8 17.476 -1.232 36.207 1.00 15.92 C ATOM 77 C VAL A 8 16.502 -1.161 37.375 1.00 15.67 C ATOM 78 O VAL A 8 15.892 -2.169 37.735 1.00 15.52 O ATOM 79 CB VAL A 8 16.747 -1.719 34.939 1.00 16.25 C ATOM 80 CG1 VAL A 8 15.704 -0.699 34.489 1.00 16.23 C ATOM 81 CG2 VAL A 8 17.755 -1.980 33.832 1.00 16.30 C ATOM 82 H VAL A 8 18.413 -3.164 36.511 1.00 0.00 H ATOM 83 N VAL A 9 16.361 0.027 37.966 1.00 15.21 N ATOM 84 CA VAL A 9 15.513 0.213 39.139 1.00 14.92 C ATOM 85 C VAL A 9 14.478 1.307 38.883 1.00 14.84 C ATOM 86 O VAL A 9 14.582 2.060 37.911 1.00 14.50 O ATOM 87 CB VAL A 9 16.329 0.572 40.404 1.00 15.04 C ATOM 88 CG1 VAL A 9 17.430 -0.454 40.650 1.00 15.38 C ATOM 89 CG2 VAL A 9 16.924 1.972 40.309 1.00 15.40 C ATOM 90 H VAL A 9 16.871 0.846 37.579 1.00 0.00 H ATOM 91 N GLY A 10 13.482 1.380 39.756 1.00 14.76 N ATOM 92 CA GLY A 10 12.393 2.349 39.625 1.00 14.68 C ATOM 93 C GLY A 10 11.068 1.749 40.017 1.00 14.97 C ATOM 94 O GLY A 10 10.929 0.519 40.107 1.00 14.56 O ATOM 95 H GLY A 10 13.475 0.724 40.563 1.00 0.00 H ATOM 96 N ALA A 11 10.080 2.618 40.228 1.00 15.22 N ATOM 97 CA ALA A 11 8.764 2.190 40.677 1.00 15.91 C ATOM 98 C ALA A 11 8.088 1.199 39.740 1.00 16.40 C ATOM 99 O ALA A 11 8.383 1.125 38.544 1.00 15.46 O ATOM 100 CB ALA A 11 7.857 3.401 40.883 1.00 16.23 C ATOM 101 H ALA A 11 10.255 3.631 40.067 1.00 0.00 H ATOM 102 N CYS A 12 7.166 0.431 40.303 1.00 17.60 N ATOM 103 CA CYS A 12 6.353 -0.479 39.508 1.00 18.39 C ATOM 104 C CYS A 12 5.673 0.258 38.376 1.00 17.77 C ATOM 105 O CYS A 12 5.076 1.314 38.590 1.00 17.75 O ATOM 106 CB CYS A 12 5.254 -1.110 40.356 1.00 19.33 C ATOM 107 SG CYS A 12 5.789 -2.540 41.315 1.00 20.95 S ATOM 108 H CYS A 12 7.020 0.479 41.332 1.00 0.00 H ATOM 109 N GLY A 13 5.760 -0.298 37.172 1.00 17.25 N ATOM 110 CA GLY A 13 5.050 0.236 36.018 1.00 16.75 C ATOM 111 C GLY A 13 5.708 1.374 35.255 1.00 16.26 C ATOM 112 O GLY A 13 5.067 1.965 34.387 1.00 16.97 O ATOM 113 H GLY A 13 6.355 -1.142 37.050 1.00 0.00 H ATOM 114 N VAL A 14 6.962 1.698 35.557 1.00 15.82 N ATOM 115 CA VAL A 14 7.631 2.789 34.825 1.00 15.18 C ATOM 116 C VAL A 14 8.181 2.366 33.465 1.00 15.03 C ATOM 117 O VAL A 14 8.449 3.219 32.618 1.00 14.75 O ATOM 118 CB VAL A 14 8.765 3.460 35.633 1.00 14.92 C ATOM 119 CG1 VAL A 14 8.217 4.079 36.907 1.00 15.01 C ATOM 120 CG2 VAL A 14 9.908 2.492 35.925 1.00 15.09 C ATOM 121 H VAL A 14 7.468 1.184 36.306 1.00 0.00 H ATOM 122 N GLY A 15 8.347 1.062 33.257 1.00 14.70 N ATOM 123 CA GLY A 15 8.861 0.527 31.999 1.00 14.65 C ATOM 124 C GLY A 15 10.235 -0.122 32.061 1.00 14.52 C ATOM 125 O GLY A 15 10.905 -0.228 31.041 1.00 14.34 O ATOM 126 H GLY A 15 8.101 0.399 34.019 1.00 0.00 H ATOM 127 N LYS A 16 10.640 -0.589 33.242 1.00 14.34 N ATOM 128 CA LYS A 16 11.935 -1.270 33.412 1.00 14.63 C ATOM 129 C LYS A 16 12.032 -2.478 32.493 1.00 14.59 C ATOM 130 O LYS A 16 13.008 -2.637 31.755 1.00 15.05 O ATOM 131 CB LYS A 16 12.144 -1.714 34.861 1.00 14.88 C ATOM 132 CG LYS A 16 12.159 -0.570 35.870 1.00 15.28 C ATOM 133 CD LYS A 16 12.405 -1.043 37.295 1.00 15.50 C ATOM 134 CE LYS A 16 11.320 -1.978 37.816 1.00 15.63 C ATOM 135 NZ LYS A 16 9.990 -1.333 37.972 1.00 15.36 N ATOM 136 HZ1 LYS A 16 10.066 -0.544 38.645 1.00 0.00 H ATOM 137 HZ2 LYS A 16 9.670 -0.974 37.050 1.00 0.00 H ATOM 138 HZ3 LYS A 16 9.307 -2.031 38.329 1.00 0.00 H ATOM 139 H LYS A 16 10.022 -0.469 34.070 1.00 0.00 H ATOM 140 N SER A 17 11.013 -3.330 32.533 1.00 15.16 N ATOM 141 CA SER A 17 11.017 -4.519 31.699 1.00 15.41 C ATOM 142 C SER A 17 10.924 -4.182 30.222 1.00 15.07 C ATOM 143 O SER A 17 11.638 -4.773 29.414 1.00 16.16 O ATOM 144 CB SER A 17 9.883 -5.462 32.079 1.00 15.68 C ATOM 145 OG SER A 17 10.085 -5.974 33.368 1.00 16.71 O ATOM 146 HG SER A 17 10.941 -6.471 33.394 1.00 0.00 H ATOM 147 H SER A 17 10.208 -3.144 33.165 1.00 0.00 H ATOM 148 N ALA A 18 10.042 -3.244 29.874 1.00 14.96 N ATOM 149 CA ALA A 18 9.882 -2.828 28.487 1.00 15.11 C ATOM 150 C ALA A 18 11.186 -2.282 27.910 1.00 15.26 C ATOM 151 O ALA A 18 11.548 -2.592 26.779 1.00 15.08 O ATOM 152 CB ALA A 18 8.770 -1.796 28.367 1.00 15.31 C ATOM 153 H ALA A 18 9.456 -2.800 30.609 1.00 0.00 H ATOM 154 N LEU A 19 11.893 -1.484 28.698 1.00 15.32 N ATOM 155 CA LEU A 19 13.182 -0.945 28.274 1.00 15.56 C ATOM 156 C LEU A 19 14.208 -2.054 28.045 1.00 15.91 C ATOM 157 O LEU A 19 14.885 -2.075 27.022 1.00 16.60 O ATOM 158 CB LEU A 19 13.718 0.053 29.297 1.00 15.84 C ATOM 159 CG LEU A 19 13.042 1.430 29.298 1.00 15.82 C ATOM 160 CD1 LEU A 19 13.437 2.204 30.542 1.00 16.39 C ATOM 161 CD2 LEU A 19 13.400 2.217 28.047 1.00 15.95 C ATOM 162 H LEU A 19 11.522 -1.237 29.638 1.00 0.00 H ATOM 163 N THR A 20 14.321 -2.962 29.009 1.00 16.47 N ATOM 164 CA THR A 20 15.305 -4.045 28.936 1.00 17.01 C ATOM 165 C THR A 20 15.014 -4.974 27.767 1.00 17.33 C ATOM 166 O THR A 20 15.919 -5.329 27.017 1.00 17.42 O ATOM 167 CB THR A 20 15.331 -4.867 30.234 1.00 17.46 C ATOM 168 OG1 THR A 20 15.574 -4.002 31.336 1.00 17.53 O ATOM 169 CG2 THR A 20 16.421 -5.949 30.191 1.00 17.47 C ATOM 170 HG1 THR A 20 14.854 -3.325 31.387 1.00 0.00 H ATOM 171 H THR A 20 13.694 -2.902 29.837 1.00 0.00 H ATOM 172 N ILE A 21 13.749 -5.347 27.600 1.00 17.64 N ATOM 173 CA ILE A 21 13.364 -6.243 26.509 1.00 18.51 C ATOM 174 C ILE A 21 13.573 -5.577 25.148 1.00 19.28 C ATOM 175 O ILE A 21 13.956 -6.239 24.186 1.00 19.17 O ATOM 176 CB ILE A 21 11.920 -6.763 26.676 1.00 19.13 C ATOM 177 CG1 ILE A 21 11.837 -7.652 27.921 1.00 19.59 C ATOM 178 CG2 ILE A 21 11.475 -7.551 25.449 1.00 19.31 C ATOM 179 CD1 ILE A 21 10.436 -7.857 28.448 1.00 20.02 C ATOM 180 H ILE A 21 13.021 -4.996 28.255 1.00 0.00 H ATOM 181 N GLN A 22 13.351 -4.267 25.066 1.00 19.50 N ATOM 182 CA GLN A 22 13.654 -3.539 23.837 1.00 20.25 C ATOM 183 C GLN A 22 15.134 -3.624 23.493 1.00 20.99 C ATOM 184 O GLN A 22 15.490 -3.881 22.346 1.00 21.85 O ATOM 185 CB GLN A 22 13.227 -2.072 23.925 1.00 20.36 C ATOM 186 CG GLN A 22 11.832 -1.803 23.396 1.00 20.39 C ATOM 187 CD GLN A 22 11.721 -1.837 21.875 1.00 20.08 C ATOM 188 OE1 GLN A 22 12.532 -2.468 21.182 1.00 21.19 O ATOM 189 NE2 GLN A 22 10.700 -1.168 21.350 1.00 20.20 N ATOM 190 HE22 GLN A 22 10.043 -0.652 21.969 1.00 0.00 H ATOM 191 HE21 GLN A 22 10.558 -1.161 20.320 1.00 0.00 H ATOM 192 H GLN A 22 12.959 -3.758 25.884 1.00 0.00 H ATOM 193 N LEU A 23 15.989 -3.407 24.485 1.00 21.00 N ATOM 194 CA LEU A 23 17.430 -3.452 24.271 1.00 21.98 C ATOM 195 C LEU A 23 17.861 -4.819 23.736 1.00 22.68 C ATOM 196 O LEU A 23 18.651 -4.893 22.799 1.00 22.63 O ATOM 197 CB LEU A 23 18.183 -3.155 25.565 1.00 22.32 C ATOM 198 CG LEU A 23 19.711 -3.107 25.439 1.00 22.80 C ATOM 199 CD1 LEU A 23 20.160 -1.823 24.763 1.00 23.26 C ATOM 200 CD2 LEU A 23 20.359 -3.243 26.798 1.00 23.10 C ATOM 201 H LEU A 23 15.622 -3.200 25.436 1.00 0.00 H ATOM 202 N ILE A 24 17.315 -5.883 24.325 1.00 23.60 N ATOM 203 CA ILE A 24 17.770 -7.253 24.071 1.00 24.84 C ATOM 204 C ILE A 24 17.103 -7.858 22.833 1.00 26.48 C ATOM 205 O ILE A 24 17.775 -8.438 21.970 1.00 27.36 O ATOM 206 CB ILE A 24 17.478 -8.175 25.287 1.00 24.80 C ATOM 207 CG1 ILE A 24 18.079 -7.617 26.589 1.00 24.81 C ATOM 208 CG2 ILE A 24 17.855 -9.630 24.972 1.00 25.02 C ATOM 209 CD1 ILE A 24 19.510 -7.949 26.906 1.00 25.31 C ATOM 210 H ILE A 24 16.532 -5.735 24.994 1.00 0.00 H ATOM 211 N GLN A 25 15.768 -7.762 22.779 1.00 27.89 N ATOM 212 CA GLN A 25 14.957 -8.436 21.724 1.00 29.27 C ATOM 213 C GLN A 25 14.469 -7.491 20.616 1.00 29.67 C ATOM 214 O GLN A 25 13.846 -7.993 19.671 1.00 30.81 O ATOM 215 CB GLN A 25 13.801 -9.199 22.375 1.00 30.38 C ATOM 216 CG GLN A 25 14.249 -10.118 23.500 1.00 32.12 C ATOM 217 CD GLN A 25 13.138 -10.949 24.093 1.00 33.61 C ATOM 218 OE1 GLN A 25 11.972 -10.813 23.735 1.00 36.28 O ATOM 219 NE2 GLN A 25 13.498 -11.826 25.014 1.00 34.71 N ATOM 220 HE22 GLN A 25 14.497 -11.910 25.289 1.00 0.00 H ATOM 221 HE21 GLN A 25 12.782 -12.432 25.463 1.00 0.00 H ATOM 222 H GLN A 25 15.278 -7.196 23.501 1.00 0.00 H ATOM 223 N ASN A 26 14.713 -6.186 20.733 1.00 29.86 N ATOM 224 CA ASN A 26 14.339 -5.211 19.701 1.00 30.43 C ATOM 225 C ASN A 26 12.841 -5.215 19.350 1.00 29.16 C ATOM 226 O ASN A 26 12.457 -5.092 18.186 1.00 28.94 O ATOM 227 CB ASN A 26 15.216 -5.390 18.450 1.00 32.59 C ATOM 228 CG ASN A 26 16.659 -4.967 18.688 1.00 34.35 C ATOM 229 OD1 ASN A 26 16.960 -3.776 18.762 1.00 36.63 O ATOM 230 ND2 ASN A 26 17.558 -5.938 18.805 1.00 35.49 N ATOM 231 HD22 ASN A 26 17.261 -6.932 18.736 1.00 0.00 H ATOM 232 HD21 ASN A 26 18.559 -5.704 18.965 1.00 0.00 H ATOM 233 H ASN A 26 15.189 -5.844 21.592 1.00 0.00 H ATOM 234 N HIS A 27 11.999 -5.346 20.371 1.00 27.63 N ATOM 235 CA HIS A 27 10.569 -5.117 20.206 1.00 26.65 C ATOM 236 C HIS A 27 9.900 -4.767 21.527 1.00 23.70 C ATOM 237 O HIS A 27 10.415 -5.074 22.602 1.00 21.77 O ATOM 238 CB HIS A 27 9.866 -6.310 19.542 1.00 29.25 C ATOM 239 CG HIS A 27 9.371 -7.343 20.511 1.00 31.01 C ATOM 240 ND1 HIS A 27 10.193 -8.292 21.082 1.00 32.94 N ATOM 241 CD2 HIS A 27 8.134 -7.568 21.015 1.00 32.63 C ATOM 242 CE1 HIS A 27 9.482 -9.059 21.890 1.00 33.30 C ATOM 243 NE2 HIS A 27 8.230 -8.639 21.870 1.00 32.96 N ATOM 244 H HIS A 27 12.368 -5.617 21.305 1.00 0.00 H ATOM 245 N PHE A 28 8.750 -4.111 21.417 1.00 21.86 N ATOM 246 CA PHE A 28 8.029 -3.602 22.567 1.00 21.02 C ATOM 247 C PHE A 28 7.052 -4.652 23.091 1.00 20.86 C ATOM 248 O PHE A 28 6.170 -5.099 22.358 1.00 20.81 O ATOM 249 CB PHE A 28 7.277 -2.322 22.194 1.00 20.67 C ATOM 250 CG PHE A 28 6.400 -1.800 23.291 1.00 20.20 C ATOM 251 CD1 PHE A 28 6.950 -1.372 24.490 1.00 19.82 C ATOM 252 CD2 PHE A 28 5.022 -1.735 23.128 1.00 20.21 C ATOM 253 CE1 PHE A 28 6.141 -0.884 25.504 1.00 20.06 C ATOM 254 CE2 PHE A 28 4.210 -1.254 24.139 1.00 20.48 C ATOM 255 CZ PHE A 28 4.770 -0.832 25.331 1.00 20.11 C ATOM 256 H PHE A 28 8.351 -3.957 20.469 1.00 0.00 H ATOM 257 N VAL A 29 7.219 -5.038 24.353 1.00 20.55 N ATOM 258 CA VAL A 29 6.296 -5.961 25.009 1.00 20.89 C ATOM 259 C VAL A 29 5.319 -5.183 25.883 1.00 21.12 C ATOM 260 O VAL A 29 5.723 -4.535 26.844 1.00 20.71 O ATOM 261 CB VAL A 29 7.027 -6.977 25.898 1.00 21.40 C ATOM 262 CG1 VAL A 29 6.027 -7.921 26.561 1.00 21.83 C ATOM 263 CG2 VAL A 29 8.040 -7.757 25.081 1.00 21.99 C ATOM 264 H VAL A 29 8.031 -4.672 24.889 1.00 0.00 H ATOM 265 N ASP A 30 4.034 -5.277 25.564 1.00 21.05 N ATOM 266 CA ASP A 30 2.999 -4.607 26.341 1.00 22.05 C ATOM 267 C ASP A 30 2.713 -5.423 27.601 1.00 22.01 C ATOM 268 O ASP A 30 2.402 -6.612 27.520 1.00 23.02 O ATOM 269 CB ASP A 30 1.731 -4.460 25.496 1.00 22.93 C ATOM 270 CG ASP A 30 0.754 -3.434 26.053 1.00 23.46 C ATOM 271 OD1 ASP A 30 1.113 -2.664 26.967 1.00 24.69 O ATOM 272 OD2 ASP A 30 -0.385 -3.395 25.544 1.00 24.17 O ATOM 273 H ASP A 30 3.758 -5.844 24.737 1.00 0.00 H ATOM 274 N GLU A 31 2.843 -4.786 28.758 1.00 21.36 N ATOM 275 CA GLU A 31 2.523 -5.408 30.048 1.00 21.77 C ATOM 276 C GLU A 31 3.279 -6.709 30.300 1.00 21.94 C ATOM 277 O GLU A 31 2.675 -7.770 30.466 1.00 22.46 O ATOM 278 CB GLU A 31 1.013 -5.641 30.188 1.00 21.65 C ATOM 279 CG GLU A 31 0.157 -4.456 29.753 1.00 22.27 C ATOM 280 CD GLU A 31 -1.016 -4.179 30.671 1.00 22.83 C ATOM 281 OE1 GLU A 31 -1.723 -3.175 30.430 1.00 22.60 O ATOM 282 OE2 GLU A 31 -1.226 -4.949 31.631 1.00 23.29 O ATOM 283 H GLU A 31 3.186 -3.804 28.750 1.00 0.00 H ATOM 284 N TYR A 32 4.602 -6.635 30.332 1.00 22.18 N ATOM 285 CA TYR A 32 5.401 -7.788 30.741 1.00 22.64 C ATOM 286 C TYR A 32 5.092 -8.088 32.207 1.00 22.73 C ATOM 287 O TYR A 32 4.871 -7.172 32.991 1.00 21.70 O ATOM 288 CB TYR A 32 6.896 -7.523 30.544 1.00 23.05 C ATOM 289 CG TYR A 32 7.754 -8.731 30.847 1.00 23.94 C ATOM 290 CD1 TYR A 32 7.712 -9.858 30.034 1.00 24.75 C ATOM 291 CD2 TYR A 32 8.587 -8.758 31.958 1.00 24.20 C ATOM 292 CE1 TYR A 32 8.484 -10.972 30.311 1.00 25.79 C ATOM 293 CE2 TYR A 32 9.366 -9.866 32.244 1.00 25.66 C ATOM 294 CZ TYR A 32 9.310 -10.972 31.416 1.00 25.85 C ATOM 295 OH TYR A 32 10.079 -12.079 31.704 1.00 28.89 O ATOM 296 HH TYR A 32 11.036 -11.824 31.704 1.00 0.00 H ATOM 297 H TYR A 32 5.075 -5.749 30.064 1.00 0.00 H ATOM 298 N ASP A 33 5.087 -9.369 32.574 1.00 23.19 N ATOM 299 CA ASP A 33 4.683 -9.794 33.921 1.00 24.89 C ATOM 300 C ASP A 33 5.419 -8.931 34.948 1.00 24.78 C ATOM 301 O ASP A 33 6.646 -8.952 34.987 1.00 23.64 O ATOM 302 CB ASP A 33 5.043 -11.267 34.125 1.00 25.87 C ATOM 303 CG ASP A 33 4.509 -11.836 35.429 1.00 27.10 C ATOM 304 OD1 ASP A 33 4.353 -11.086 36.416 1.00 27.24 O ATOM 305 OD2 ASP A 33 4.259 -13.059 35.469 1.00 29.49 O ATOM 306 H ASP A 33 5.378 -10.091 31.885 1.00 0.00 H ATOM 307 N PRO A 34 4.679 -8.171 35.777 1.00 25.76 N ATOM 308 CA PRO A 34 5.359 -7.295 36.737 1.00 26.23 C ATOM 309 C PRO A 34 6.123 -8.016 37.853 1.00 26.77 C ATOM 310 O PRO A 34 6.890 -7.375 38.564 1.00 26.76 O ATOM 311 CB PRO A 34 4.220 -6.460 37.342 1.00 26.48 C ATOM 312 CG PRO A 34 3.021 -6.708 36.495 1.00 26.72 C ATOM 313 CD PRO A 34 3.213 -8.040 35.852 1.00 26.42 C ATOM 314 N THR A 35 5.911 -9.325 38.013 1.00 27.40 N ATOM 315 CA THR A 35 6.558 -10.090 39.084 1.00 28.27 C ATOM 316 C THR A 35 7.836 -10.814 38.647 1.00 28.45 C ATOM 317 O THR A 35 8.541 -11.367 39.488 1.00 30.37 O ATOM 318 CB THR A 35 5.598 -11.140 39.687 1.00 28.70 C ATOM 319 OG1 THR A 35 5.336 -12.174 38.730 1.00 29.65 O ATOM 320 CG2 THR A 35 4.287 -10.493 40.118 1.00 28.87 C ATOM 321 HG1 THR A 35 4.920 -11.778 37.923 1.00 0.00 H ATOM 322 H THR A 35 5.268 -9.816 37.359 1.00 0.00 H ATOM 323 N ILE A 36 8.133 -10.826 37.350 1.00 27.62 N ATOM 324 CA ILE A 36 9.323 -11.513 36.855 1.00 27.47 C ATOM 325 C ILE A 36 10.547 -10.614 36.980 1.00 27.35 C ATOM 326 O ILE A 36 10.632 -9.565 36.342 1.00 25.37 O ATOM 327 CB ILE A 36 9.170 -11.975 35.391 1.00 28.28 C ATOM 328 CG1 ILE A 36 8.044 -13.007 35.283 1.00 29.00 C ATOM 329 CG2 ILE A 36 10.476 -12.575 34.876 1.00 28.09 C ATOM 330 CD1 ILE A 36 7.727 -13.432 33.866 1.00 29.28 C ATOM 331 H ILE A 36 7.507 -10.338 36.678 1.00 0.00 H ATOM 332 N GLU A 37 11.483 -11.041 37.819 1.00 27.08 N ATOM 333 CA GLU A 37 12.781 -10.401 37.930 1.00 27.82 C ATOM 334 C GLU A 37 13.802 -11.352 37.335 1.00 28.20 C ATOM 335 O GLU A 37 13.924 -12.490 37.781 1.00 28.00 O ATOM 336 CB GLU A 37 13.102 -10.096 39.392 1.00 28.58 C ATOM 337 CG GLU A 37 14.493 -9.523 39.616 1.00 30.07 C ATOM 338 CD GLU A 37 14.715 -9.078 41.043 1.00 31.20 C ATOM 339 OE1 GLU A 37 13.912 -8.265 41.551 1.00 31.06 O ATOM 340 OE2 GLU A 37 15.701 -9.537 41.660 1.00 34.96 O ATOM 341 H GLU A 37 11.279 -11.865 38.419 1.00 0.00 H ATOM 342 N ASP A 38 14.514 -10.899 36.310 1.00 27.93 N ATOM 343 CA ASP A 38 15.502 -11.746 35.661 1.00 28.64 C ATOM 344 C ASP A 38 16.699 -10.946 35.177 1.00 27.99 C ATOM 345 O ASP A 38 16.648 -9.716 35.069 1.00 26.08 O ATOM 346 CB ASP A 38 14.870 -12.517 34.494 1.00 30.12 C ATOM 347 CG ASP A 38 15.608 -13.815 34.176 1.00 31.77 C ATOM 348 OD1 ASP A 38 16.537 -14.184 34.928 1.00 32.51 O ATOM 349 OD2 ASP A 38 15.257 -14.469 33.171 1.00 34.12 O ATOM 350 H ASP A 38 14.364 -9.929 35.968 1.00 0.00 H ATOM 351 N SER A 39 17.787 -11.663 34.920 1.00 27.67 N ATOM 352 CA SER A 39 18.968 -11.089 34.308 1.00 28.12 C ATOM 353 C SER A 39 19.001 -11.417 32.819 1.00 28.35 C ATOM 354 O SER A 39 18.567 -12.494 32.390 1.00 27.56 O ATOM 355 CB SER A 39 20.231 -11.603 34.992 1.00 28.80 C ATOM 356 OG SER A 39 20.333 -13.009 34.865 1.00 29.44 O ATOM 357 HG SER A 39 20.367 -13.251 33.906 1.00 0.00 H ATOM 358 H SER A 39 17.791 -12.673 35.167 1.00 0.00 H ATOM 359 N TYR A 40 19.508 -10.473 32.035 1.00 27.86 N ATOM 360 CA TYR A 40 19.586 -10.615 30.587 1.00 28.99 C ATOM 361 C TYR A 40 20.990 -10.249 30.129 1.00 29.82 C ATOM 362 O TYR A 40 21.688 -9.488 30.801 1.00 29.05 O ATOM 363 CB TYR A 40 18.554 -9.715 29.901 1.00 29.87 C ATOM 364 CG TYR A 40 17.117 -9.982 30.306 1.00 30.86 C ATOM 365 CD1 TYR A 40 16.578 -9.419 31.462 1.00 31.43 C ATOM 366 CD2 TYR A 40 16.295 -10.799 29.531 1.00 32.18 C ATOM 367 CE1 TYR A 40 15.263 -9.665 31.832 1.00 32.59 C ATOM 368 CE2 TYR A 40 14.979 -11.046 29.892 1.00 33.06 C ATOM 369 CZ TYR A 40 14.469 -10.480 31.044 1.00 33.31 C ATOM 370 OH TYR A 40 13.160 -10.723 31.411 1.00 34.80 O ATOM 371 HH TYR A 40 13.031 -11.696 31.544 1.00 0.00 H ATOM 372 H TYR A 40 19.863 -9.598 32.471 1.00 0.00 H ATOM 373 N ARG A 41 21.423 -10.834 29.018 1.00 30.85 N ATOM 374 CA ARG A 41 22.798 -10.547 28.553 1.00 32.16 C ATOM 375 C ARG A 41 22.784 -10.084 27.099 1.00 30.90 C ATOM 376 O ARG A 41 21.986 -10.576 26.303 1.00 30.28 O ATOM 377 CB ARG A 41 23.723 -11.748 28.755 1.00 34.96 C ATOM 378 CG ARG A 41 24.320 -11.829 30.149 1.00 37.14 C ATOM 379 CD ARG A 41 25.233 -13.015 30.351 1.00 38.84 C ATOM 380 NE ARG A 41 24.525 -14.114 30.986 1.00 40.95 N ATOM 381 CZ ARG A 41 24.079 -15.187 30.350 1.00 42.14 C ATOM 382 NH1 ARG A 41 24.263 -15.311 29.047 1.00 43.36 N ATOM 383 NH2 ARG A 41 23.446 -16.135 31.016 1.00 43.14 N ATOM 384 HE ARG A 41 24.357 -14.054 32.011 1.00 0.00 H ATOM 385 HH12 ARG A 41 23.912 -16.154 28.550 1.00 0.00 H ATOM 386 HH11 ARG A 41 24.759 -14.565 28.519 1.00 0.00 H ATOM 387 HH22 ARG A 41 23.096 -16.977 30.516 1.00 0.00 H ATOM 388 HH21 ARG A 41 23.297 -16.040 32.041 1.00 0.00 H ATOM 389 H ARG A 41 20.808 -11.481 28.485 1.00 0.00 H ATOM 390 N LYS A 42 23.661 -9.137 26.812 1.00 29.35 N ATOM 391 CA LYS A 42 23.825 -8.590 25.474 1.00 29.16 C ATOM 392 C LYS A 42 25.228 -8.053 25.274 1.00 29.24 C ATOM 393 O LYS A 42 25.765 -7.340 26.133 1.00 28.43 O ATOM 394 CB LYS A 42 22.812 -7.486 25.174 1.00 29.90 C ATOM 395 CG LYS A 42 22.826 -7.089 23.713 1.00 30.30 C ATOM 396 CD LYS A 42 21.867 -5.969 23.361 1.00 30.52 C ATOM 397 CE LYS A 42 22.013 -5.606 21.895 1.00 30.91 C ATOM 398 NZ LYS A 42 20.999 -4.616 21.443 1.00 31.06 N ATOM 399 HZ1 LYS A 42 20.046 -5.010 21.580 1.00 0.00 H ATOM 400 HZ2 LYS A 42 21.097 -3.742 21.999 1.00 0.00 H ATOM 401 HZ3 LYS A 42 21.147 -4.406 20.435 1.00 0.00 H ATOM 402 H LYS A 42 24.260 -8.767 27.577 1.00 0.00 H ATOM 403 N GLN A 43 25.796 -8.383 24.117 1.00 29.67 N ATOM 404 CA GLN A 43 27.108 -7.895 23.734 1.00 30.65 C ATOM 405 C GLN A 43 26.938 -6.746 22.748 1.00 30.14 C ATOM 406 O GLN A 43 26.217 -6.869 21.758 1.00 30.38 O ATOM 407 CB GLN A 43 27.938 -9.025 23.121 1.00 32.49 C ATOM 408 CG GLN A 43 29.436 -8.764 23.183 1.00 34.78 C ATOM 409 CD GLN A 43 30.306 -9.937 22.759 1.00 36.16 C ATOM 410 OE1 GLN A 43 30.074 -10.570 21.725 1.00 37.38 O ATOM 411 NE2 GLN A 43 31.349 -10.203 23.540 1.00 38.03 N ATOM 412 HE22 GLN A 43 31.508 -9.645 24.403 1.00 0.00 H ATOM 413 HE21 GLN A 43 32.006 -10.969 23.288 1.00 0.00 H ATOM 414 H GLN A 43 25.283 -9.011 23.466 1.00 0.00 H ATOM 415 N VAL A 44 27.587 -5.626 23.048 1.00 29.08 N ATOM 416 CA VAL A 44 27.478 -4.404 22.258 1.00 29.33 C ATOM 417 C VAL A 44 28.865 -3.820 22.029 1.00 28.52 C ATOM 418 O VAL A 44 29.819 -4.195 22.704 1.00 29.17 O ATOM 419 CB VAL A 44 26.614 -3.327 22.970 1.00 29.45 C ATOM 420 CG1 VAL A 44 25.181 -3.808 23.144 1.00 30.04 C ATOM 421 CG2 VAL A 44 27.216 -2.924 24.315 1.00 29.92 C ATOM 422 H VAL A 44 28.202 -5.620 23.886 1.00 0.00 H ATOM 423 N VAL A 45 28.969 -2.893 21.084 1.00 28.42 N ATOM 424 CA VAL A 45 30.198 -2.126 20.893 1.00 27.63 C ATOM 425 C VAL A 45 29.881 -0.663 21.187 1.00 26.67 C ATOM 426 O VAL A 45 28.984 -0.086 20.568 1.00 26.89 O ATOM 427 CB VAL A 45 30.757 -2.296 19.466 1.00 28.11 C ATOM 428 CG1 VAL A 45 32.026 -1.476 19.280 1.00 28.28 C ATOM 429 CG2 VAL A 45 31.032 -3.769 19.183 1.00 28.39 C ATOM 430 H VAL A 45 28.155 -2.708 20.464 1.00 0.00 H ATOM 431 N ILE A 46 30.607 -0.079 22.142 1.00 25.87 N ATOM 432 CA ILE A 46 30.390 1.303 22.563 1.00 25.41 C ATOM 433 C ILE A 46 31.717 2.047 22.524 1.00 25.61 C ATOM 434 O ILE A 46 32.677 1.654 23.199 1.00 25.21 O ATOM 435 CB ILE A 46 29.816 1.381 23.991 1.00 25.41 C ATOM 436 CG1 ILE A 46 28.452 0.694 24.048 1.00 25.24 C ATOM 437 CG2 ILE A 46 29.695 2.835 24.442 1.00 25.58 C ATOM 438 CD1 ILE A 46 28.019 0.318 25.446 1.00 24.91 C ATOM 439 H ILE A 46 31.358 -0.630 22.605 1.00 0.00 H ATOM 440 N ASP A 47 31.762 3.120 21.736 1.00 26.48 N ATOM 441 CA ASP A 47 32.982 3.909 21.544 1.00 27.05 C ATOM 442 C ASP A 47 34.196 3.039 21.189 1.00 27.88 C ATOM 443 O ASP A 47 35.302 3.234 21.713 1.00 28.00 O ATOM 444 CB ASP A 47 33.261 4.761 22.781 1.00 27.60 C ATOM 445 CG ASP A 47 32.093 5.659 23.144 1.00 27.73 C ATOM 446 OD1 ASP A 47 31.278 5.992 22.255 1.00 28.40 O ATOM 447 OD2 ASP A 47 31.994 6.045 24.324 1.00 27.77 O ATOM 448 H ASP A 47 30.897 3.409 21.237 1.00 0.00 H ATOM 449 N GLY A 48 33.974 2.076 20.295 1.00 28.39 N ATOM 450 CA GLY A 48 35.039 1.205 19.794 1.00 29.13 C ATOM 451 C GLY A 48 35.293 -0.046 20.615 1.00 30.24 C ATOM 452 O GLY A 48 35.918 -0.991 20.128 1.00 30.26 O ATOM 453 H GLY A 48 33.007 1.938 19.939 1.00 0.00 H ATOM 454 N GLU A 49 34.795 -0.073 21.848 1.00 30.88 N ATOM 455 CA GLU A 49 35.108 -1.153 22.773 1.00 32.17 C ATOM 456 C GLU A 49 33.952 -2.140 22.907 1.00 31.40 C ATOM 457 O GLU A 49 32.825 -1.752 23.220 1.00 30.07 O ATOM 458 CB GLU A 49 35.467 -0.567 24.136 1.00 34.62 C ATOM 459 CG GLU A 49 35.851 -1.614 25.174 1.00 37.74 C ATOM 460 CD GLU A 49 36.550 -1.041 26.389 1.00 40.67 C ATOM 461 OE1 GLU A 49 36.589 0.202 26.527 1.00 43.42 O ATOM 462 OE2 GLU A 49 37.080 -1.843 27.198 1.00 42.79 O ATOM 463 H GLU A 49 34.167 0.696 22.159 1.00 0.00 H ATOM 464 N THR A 50 34.241 -3.415 22.665 1.00 30.09 N ATOM 465 CA THR A 50 33.258 -4.482 22.838 1.00 30.53 C ATOM 466 C THR A 50 32.938 -4.634 24.327 1.00 29.79 C ATOM 467 O THR A 50 33.845 -4.738 25.153 1.00 29.53 O ATOM 468 CB THR A 50 33.775 -5.821 22.269 1.00 31.44 C ATOM 469 OG1 THR A 50 34.176 -5.644 20.901 1.00 32.62 O ATOM 470 CG2 THR A 50 32.700 -6.896 22.326 1.00 32.00 C ATOM 471 HG1 THR A 50 34.506 -6.505 20.541 1.00 0.00 H ATOM 472 H THR A 50 35.198 -3.661 22.342 1.00 0.00 H ATOM 473 N SER A 51 31.636 -4.602 24.631 1.00 29.09 N ATOM 474 CA SER A 51 31.122 -4.626 26.022 1.00 28.68 C ATOM 475 C SER A 51 30.061 -5.713 26.220 1.00 28.06 C ATOM 476 O SER A 51 29.104 -5.727 25.455 1.00 27.84 O ATOM 477 CB SER A 51 30.503 -3.288 26.333 1.00 29.13 C ATOM 478 OG SER A 51 31.195 -2.228 25.696 1.00 28.75 O ATOM 479 HG SER A 51 31.171 -2.362 24.715 1.00 0.00 H ATOM 480 H SER A 51 30.949 -4.558 23.852 1.00 0.00 H ATOM 481 N LEU A 52 30.241 -6.592 27.208 1.00 27.19 N ATOM 482 CA LEU A 52 29.183 -7.538 27.543 1.00 27.99 C ATOM 483 C LEU A 52 28.395 -6.970 28.710 1.00 27.09 C ATOM 484 O LEU A 52 28.942 -6.750 29.801 1.00 27.15 O ATOM 485 CB LEU A 52 29.737 -8.908 27.912 1.00 28.54 C ATOM 486 CG LEU A 52 28.650 -9.941 28.244 1.00 29.16 C ATOM 487 CD1 LEU A 52 27.817 -10.308 27.024 1.00 29.44 C ATOM 488 CD2 LEU A 52 29.294 -11.172 28.836 1.00 29.50 C ATOM 489 H LEU A 52 31.135 -6.602 27.739 1.00 0.00 H ATOM 490 N LEU A 53 27.110 -6.735 28.468 1.00 26.85 N ATOM 491 CA LEU A 53 26.216 -6.182 29.470 1.00 27.05 C ATOM 492 C LEU A 53 25.433 -7.295 30.130 1.00 26.85 C ATOM 493 O LEU A 53 24.747 -8.066 29.460 1.00 27.75 O ATOM 494 CB LEU A 53 25.242 -5.197 28.824 1.00 27.04 C ATOM 495 CG LEU A 53 25.868 -4.169 27.882 1.00 27.49 C ATOM 496 CD1 LEU A 53 24.799 -3.200 27.408 1.00 27.42 C ATOM 497 CD2 LEU A 53 27.011 -3.426 28.561 1.00 27.34 C ATOM 498 H LEU A 53 26.730 -6.955 27.525 1.00 0.00 H ATOM 499 N ASP A 54 25.527 -7.327 31.451 1.00 26.26 N ATOM 500 CA ASP A 54 24.685 -8.211 32.289 1.00 26.88 C ATOM 501 C ASP A 54 23.669 -7.256 32.908 1.00 24.93 C ATOM 502 O ASP A 54 24.098 -6.384 33.656 1.00 24.19 O ATOM 503 CB ASP A 54 25.508 -8.902 33.363 1.00 29.37 C ATOM 504 CG ASP A 54 25.867 -10.301 32.938 1.00 32.58 C ATOM 505 OD1 ASP A 54 24.972 -11.150 32.962 1.00 36.43 O ATOM 506 OD2 ASP A 54 27.020 -10.508 32.559 1.00 36.34 O ATOM 507 H ASP A 54 26.219 -6.707 31.918 1.00 0.00 H ATOM 508 N ILE A 55 22.387 -7.436 32.598 1.00 22.66 N ATOM 509 CA ILE A 55 21.345 -6.480 33.004 1.00 21.71 C ATOM 510 C ILE A 55 20.331 -7.140 33.910 1.00 21.21 C ATOM 511 O ILE A 55 19.657 -8.082 33.495 1.00 21.54 O ATOM 512 CB ILE A 55 20.613 -5.892 31.782 1.00 21.37 C ATOM 513 CG1 ILE A 55 21.630 -5.201 30.876 1.00 21.54 C ATOM 514 CG2 ILE A 55 19.518 -4.901 32.205 1.00 21.60 C ATOM 515 CD1 ILE A 55 21.097 -4.877 29.510 1.00 22.10 C ATOM 516 H ILE A 55 22.114 -8.278 32.052 1.00 0.00 H ATOM 517 N LEU A 56 20.217 -6.631 35.135 1.00 20.68 N ATOM 518 CA LEU A 56 19.204 -7.083 36.067 1.00 20.71 C ATOM 519 C LEU A 56 18.015 -6.121 36.038 1.00 20.52 C ATOM 520 O LEU A 56 18.131 -4.938 36.380 1.00 19.43 O ATOM 521 CB LEU A 56 19.771 -7.196 37.480 1.00 21.55 C ATOM 522 CG LEU A 56 18.808 -7.709 38.552 1.00 22.15 C ATOM 523 CD1 LEU A 56 18.303 -9.104 38.219 1.00 22.35 C ATOM 524 CD2 LEU A 56 19.490 -7.687 39.909 1.00 22.29 C ATOM 525 H LEU A 56 20.877 -5.884 35.433 1.00 0.00 H ATOM 526 N ASP A 57 16.882 -6.685 35.634 1.00 19.64 N ATOM 527 CA ASP A 57 15.592 -6.020 35.553 1.00 19.98 C ATOM 528 C ASP A 57 14.872 -6.336 36.852 1.00 20.09 C ATOM 529 O ASP A 57 14.309 -7.415 37.011 1.00 20.18 O ATOM 530 CB ASP A 57 14.821 -6.583 34.356 1.00 20.36 C ATOM 531 CG ASP A 57 13.430 -6.024 34.230 1.00 21.08 C ATOM 532 OD1 ASP A 57 13.178 -4.927 34.759 1.00 21.19 O ATOM 533 OD2 ASP A 57 12.585 -6.692 33.599 1.00 21.67 O ATOM 534 H ASP A 57 16.921 -7.685 35.352 1.00 0.00 H ATOM 535 N THR A 58 14.909 -5.396 37.790 1.00 19.79 N ATOM 536 CA THR A 58 14.324 -5.624 39.107 1.00 19.94 C ATOM 537 C THR A 58 12.803 -5.610 39.048 1.00 21.35 C ATOM 538 O THR A 58 12.209 -4.946 38.201 1.00 20.75 O ATOM 539 CB THR A 58 14.834 -4.617 40.157 1.00 19.67 C ATOM 540 OG1 THR A 58 14.443 -3.280 39.796 1.00 19.39 O ATOM 541 CG2 THR A 58 16.343 -4.711 40.287 1.00 19.17 C ATOM 542 HG1 THR A 58 14.829 -3.052 38.913 1.00 0.00 H ATOM 543 H THR A 58 15.362 -4.483 37.582 1.00 0.00 H ATOM 544 N ALA A 59 12.184 -6.373 39.943 1.00 22.58 N ATOM 545 CA ALA A 59 10.734 -6.512 39.961 1.00 24.34 C ATOM 546 C ALA A 59 10.255 -6.872 41.366 1.00 26.91 C ATOM 547 O ALA A 59 11.032 -6.822 42.322 1.00 27.61 O ATOM 548 CB ALA A 59 10.310 -7.605 38.989 1.00 24.36 C ATOM 549 H ALA A 59 12.750 -6.885 40.650 1.00 0.00 H ATOM 550 N GLY A 60 8.972 -7.211 41.486 1.00 29.99 N ATOM 551 CA GLY A 60 8.386 -7.612 42.767 1.00 31.67 C ATOM 552 C GLY A 60 8.802 -9.013 43.174 1.00 32.76 C ATOM 553 O GLY A 60 8.882 -9.915 42.339 1.00 34.97 O ATOM 554 H GLY A 60 8.366 -7.190 40.641 1.00 0.00 H TER 555 GLY A 60 ATOM 556 N ARG A 68 18.961 -9.691 48.410 1.00 53.14 N ATOM 557 CA ARG A 68 18.516 -8.474 47.743 1.00 53.27 C ATOM 558 C ARG A 68 19.641 -7.448 47.714 1.00 51.99 C ATOM 559 O ARG A 68 19.966 -6.911 46.657 1.00 52.37 O ATOM 560 CB ARG A 68 17.286 -7.897 48.450 1.00 54.12 C ATOM 561 CG ARG A 68 16.614 -6.724 47.744 1.00 54.96 C ATOM 562 CD ARG A 68 16.271 -7.038 46.292 1.00 55.63 C ATOM 563 NE ARG A 68 15.038 -6.389 45.844 1.00 56.14 N ATOM 564 CZ ARG A 68 14.573 -6.429 44.595 1.00 56.14 C ATOM 565 NH1 ARG A 68 15.239 -7.071 43.640 1.00 55.89 N ATOM 566 NH2 ARG A 68 13.436 -5.811 44.294 1.00 56.15 N ATOM 567 HE ARG A 68 14.486 -5.860 46.549 1.00 0.00 H ATOM 568 HH12 ARG A 68 14.864 -7.094 42.670 1.00 0.00 H ATOM 569 HH11 ARG A 68 16.135 -7.550 43.863 1.00 0.00 H ATOM 570 HH22 ARG A 68 13.070 -5.840 43.321 1.00 0.00 H ATOM 571 HH21 ARG A 68 12.912 -5.298 45.031 1.00 0.00 H ATOM 572 HN3 ARG A 68 19.243 -9.467 49.386 1.00 0.00 H ATOM 573 HN2 ARG A 68 19.773 -10.090 47.896 1.00 0.00 H ATOM 574 HN1 ARG A 68 18.184 -10.382 48.423 1.00 0.00 H ATOM 575 N ASP A 69 20.235 -7.183 48.874 1.00 50.51 N ATOM 576 CA ASP A 69 21.388 -6.284 48.947 1.00 49.30 C ATOM 577 C ASP A 69 22.572 -6.855 48.173 1.00 47.23 C ATOM 578 O ASP A 69 23.341 -6.112 47.577 1.00 45.92 O ATOM 579 CB ASP A 69 21.835 -6.058 50.389 1.00 50.84 C ATOM 580 CG ASP A 69 20.862 -5.209 51.185 1.00 51.83 C ATOM 581 OD1 ASP A 69 19.696 -5.062 50.763 1.00 53.60 O ATOM 582 OD2 ASP A 69 21.272 -4.686 52.243 1.00 53.63 O ATOM 583 H ASP A 69 19.874 -7.622 49.745 1.00 0.00 H ATOM 584 N GLN A 70 22.715 -8.177 48.204 1.00 45.17 N ATOM 585 CA GLN A 70 23.834 -8.860 47.554 1.00 44.08 C ATOM 586 C GLN A 70 23.838 -8.591 46.049 1.00 41.84 C ATOM 587 O GLN A 70 24.844 -8.145 45.491 1.00 41.26 O ATOM 588 CB GLN A 70 23.795 -10.368 47.851 1.00 45.07 C ATOM 589 CG GLN A 70 24.039 -10.695 49.317 1.00 46.11 C ATOM 590 CD GLN A 70 23.688 -12.125 49.702 1.00 47.03 C ATOM 591 OE1 GLN A 70 23.369 -12.966 48.856 1.00 48.39 O ATOM 592 NE2 GLN A 70 23.737 -12.403 50.999 1.00 47.07 N ATOM 593 HE22 GLN A 70 24.011 -11.665 51.679 1.00 0.00 H ATOM 594 HE21 GLN A 70 23.502 -13.359 51.335 1.00 0.00 H ATOM 595 H GLN A 70 22.006 -8.746 48.709 1.00 0.00 H ATOM 596 N TYR A 71 22.694 -8.824 45.412 1.00 39.79 N ATOM 597 CA TYR A 71 22.534 -8.571 43.980 1.00 38.92 C ATOM 598 C TYR A 71 22.768 -7.103 43.632 1.00 36.49 C ATOM 599 O TYR A 71 23.361 -6.792 42.600 1.00 36.60 O ATOM 600 CB TYR A 71 21.138 -8.990 43.509 1.00 40.10 C ATOM 601 CG TYR A 71 20.844 -10.466 43.668 1.00 41.48 C ATOM 602 CD1 TYR A 71 21.716 -11.430 43.167 1.00 42.67 C ATOM 603 CD2 TYR A 71 19.686 -10.899 44.311 1.00 42.51 C ATOM 604 CE1 TYR A 71 21.448 -12.782 43.311 1.00 43.19 C ATOM 605 CE2 TYR A 71 19.409 -12.249 44.458 1.00 43.53 C ATOM 606 CZ TYR A 71 20.292 -13.185 43.957 1.00 43.57 C ATOM 607 OH TYR A 71 20.021 -14.526 44.102 1.00 44.56 O ATOM 608 HH TYR A 71 20.749 -15.055 43.690 1.00 0.00 H ATOM 609 H TYR A 71 21.886 -9.198 45.950 1.00 0.00 H ATOM 610 N MET A 72 22.311 -6.206 44.500 1.00 34.55 N ATOM 611 CA MET A 72 22.450 -4.776 44.257 1.00 33.53 C ATOM 612 C MET A 72 23.880 -4.278 44.474 1.00 33.62 C ATOM 613 O MET A 72 24.297 -3.329 43.820 1.00 33.23 O ATOM 614 CB MET A 72 21.478 -3.972 45.122 1.00 33.55 C ATOM 615 CG MET A 72 20.016 -4.321 44.915 1.00 33.30 C ATOM 616 SD MET A 72 19.371 -3.809 43.315 1.00 33.04 S ATOM 617 CE MET A 72 19.477 -5.346 42.405 1.00 33.05 C ATOM 618 H MET A 72 21.845 -6.532 45.371 1.00 0.00 H ATOM 619 N ARG A 73 24.629 -4.908 45.378 1.00 33.30 N ATOM 620 CA ARG A 73 26.020 -4.505 45.626 1.00 34.01 C ATOM 621 C ARG A 73 26.919 -4.900 44.454 1.00 32.69 C ATOM 622 O ARG A 73 27.855 -4.177 44.112 1.00 33.13 O ATOM 623 CB ARG A 73 26.547 -5.106 46.942 1.00 35.92 C ATOM 624 CG ARG A 73 28.042 -4.883 47.225 1.00 37.60 C ATOM 625 CD ARG A 73 28.317 -4.669 48.704 1.00 39.44 C ATOM 626 NE ARG A 73 27.713 -5.721 49.523 1.00 41.30 N ATOM 627 CZ ARG A 73 26.718 -5.539 50.393 1.00 43.20 C ATOM 628 NH1 ARG A 73 26.180 -4.337 50.597 1.00 44.84 N ATOM 629 NH2 ARG A 73 26.252 -6.580 51.073 1.00 44.01 N ATOM 630 HE ARG A 73 28.089 -6.685 49.419 1.00 0.00 H ATOM 631 HH12 ARG A 73 25.405 -4.223 51.281 1.00 0.00 H ATOM 632 HH11 ARG A 73 26.535 -3.512 50.072 1.00 0.00 H ATOM 633 HH22 ARG A 73 25.477 -6.451 51.754 1.00 0.00 H ATOM 634 HH21 ARG A 73 26.662 -7.524 50.924 1.00 0.00 H ATOM 635 H ARG A 73 24.222 -5.699 45.917 1.00 0.00 H ATOM 636 N THR A 74 26.634 -6.043 43.837 1.00 31.24 N ATOM 637 CA THR A 74 27.369 -6.455 42.637 1.00 30.65 C ATOM 638 C THR A 74 27.075 -5.592 41.400 1.00 28.69 C ATOM 639 O THR A 74 27.806 -5.676 40.424 1.00 29.28 O ATOM 640 CB THR A 74 27.136 -7.937 42.285 1.00 31.42 C ATOM 641 OG1 THR A 74 25.733 -8.212 42.228 1.00 34.41 O ATOM 642 CG2 THR A 74 27.797 -8.854 43.307 1.00 31.95 C ATOM 643 HG1 THR A 74 25.324 -8.018 43.108 1.00 0.00 H ATOM 644 H THR A 74 25.879 -6.653 44.211 1.00 0.00 H ATOM 645 N GLY A 75 26.015 -4.781 41.427 1.00 26.47 N ATOM 646 CA GLY A 75 25.734 -3.851 40.331 1.00 25.08 C ATOM 647 C GLY A 75 26.828 -2.801 40.235 1.00 23.85 C ATOM 648 O GLY A 75 27.225 -2.221 41.249 1.00 23.72 O ATOM 649 H GLY A 75 25.374 -4.810 42.245 1.00 0.00 H ATOM 650 N GLU A 76 27.313 -2.564 39.018 1.00 22.33 N ATOM 651 CA GLU A 76 28.339 -1.550 38.766 1.00 22.55 C ATOM 652 C GLU A 76 27.734 -0.203 38.383 1.00 20.97 C ATOM 653 O GLU A 76 28.350 0.843 38.595 1.00 20.66 O ATOM 654 CB GLU A 76 29.282 -2.016 37.659 1.00 24.24 C ATOM 655 CG GLU A 76 30.168 -3.176 38.071 1.00 25.69 C ATOM 656 CD GLU A 76 31.023 -3.682 36.928 1.00 28.19 C ATOM 657 OE1 GLU A 76 30.490 -4.385 36.051 1.00 28.57 O ATOM 658 OE2 GLU A 76 32.237 -3.384 36.908 1.00 31.44 O ATOM 659 H GLU A 76 26.950 -3.119 38.217 1.00 0.00 H ATOM 660 N GLY A 77 26.539 -0.236 37.801 1.00 19.73 N ATOM 661 CA GLY A 77 25.816 0.983 37.440 1.00 18.55 C ATOM 662 C GLY A 77 24.313 0.774 37.484 1.00 17.77 C ATOM 663 O GLY A 77 23.828 -0.350 37.339 1.00 17.30 O ATOM 664 H GLY A 77 26.104 -1.158 37.596 1.00 0.00 H ATOM 665 N PHE A 78 23.573 1.862 37.673 1.00 17.28 N ATOM 666 CA PHE A 78 22.127 1.788 37.865 1.00 17.21 C ATOM 667 C PHE A 78 21.400 2.760 36.956 1.00 16.79 C ATOM 668 O PHE A 78 21.794 3.927 36.852 1.00 17.28 O ATOM 669 CB PHE A 78 21.782 2.105 39.316 1.00 17.39 C ATOM 670 CG PHE A 78 22.384 1.134 40.293 1.00 17.80 C ATOM 671 CD1 PHE A 78 23.717 1.233 40.651 1.00 18.13 C ATOM 672 CD2 PHE A 78 21.622 0.111 40.832 1.00 18.62 C ATOM 673 CE1 PHE A 78 24.285 0.328 41.529 1.00 18.60 C ATOM 674 CE2 PHE A 78 22.182 -0.795 41.718 1.00 18.94 C ATOM 675 CZ PHE A 78 23.515 -0.687 42.061 1.00 18.79 C ATOM 676 H PHE A 78 24.037 2.793 37.684 1.00 0.00 H ATOM 677 N LEU A 79 20.359 2.270 36.291 1.00 16.36 N ATOM 678 CA LEU A 79 19.397 3.145 35.610 1.00 16.07 C ATOM 679 C LEU A 79 18.283 3.464 36.582 1.00 15.69 C ATOM 680 O LEU A 79 17.614 2.549 37.067 1.00 15.36 O ATOM 681 CB LEU A 79 18.791 2.475 34.375 1.00 16.66 C ATOM 682 CG LEU A 79 19.665 2.284 33.141 1.00 17.45 C ATOM 683 CD1 LEU A 79 18.807 1.769 31.993 1.00 17.82 C ATOM 684 CD2 LEU A 79 20.363 3.573 32.748 1.00 17.61 C ATOM 685 H LEU A 79 20.222 1.240 36.252 1.00 0.00 H ATOM 686 N LEU A 80 18.089 4.750 36.865 1.00 15.31 N ATOM 687 CA LEU A 80 17.011 5.226 37.725 1.00 15.57 C ATOM 688 C LEU A 80 15.861 5.619 36.809 1.00 15.12 C ATOM 689 O LEU A 80 15.894 6.681 36.192 1.00 15.40 O ATOM 690 CB LEU A 80 17.472 6.448 38.540 1.00 16.58 C ATOM 691 CG LEU A 80 18.726 6.275 39.395 1.00 17.41 C ATOM 692 CD1 LEU A 80 19.150 7.618 39.975 1.00 17.70 C ATOM 693 CD2 LEU A 80 18.498 5.247 40.487 1.00 18.19 C ATOM 694 H LEU A 80 18.738 5.450 36.453 1.00 0.00 H ATOM 695 N VAL A 81 14.863 4.744 36.692 1.00 14.21 N ATOM 696 CA VAL A 81 13.793 4.938 35.720 1.00 14.09 C ATOM 697 C VAL A 81 12.536 5.494 36.380 1.00 13.89 C ATOM 698 O VAL A 81 12.082 4.963 37.389 1.00 14.14 O ATOM 699 CB VAL A 81 13.432 3.622 34.994 1.00 14.03 C ATOM 700 CG1 VAL A 81 12.432 3.890 33.880 1.00 14.06 C ATOM 701 CG2 VAL A 81 14.685 2.948 34.446 1.00 14.03 C ATOM 702 H VAL A 81 14.847 3.905 37.307 1.00 0.00 H ATOM 703 N PHE A 82 12.001 6.581 35.824 1.00 13.97 N ATOM 704 CA PHE A 82 10.647 7.046 36.141 1.00 13.72 C ATOM 705 C PHE A 82 9.863 7.183 34.839 1.00 13.55 C ATOM 706 O PHE A 82 10.439 7.075 33.755 1.00 13.58 O ATOM 707 CB PHE A 82 10.660 8.370 36.922 1.00 13.68 C ATOM 708 CG PHE A 82 11.085 9.562 36.107 1.00 14.03 C ATOM 709 CD1 PHE A 82 12.419 9.866 35.944 1.00 14.12 C ATOM 710 CD2 PHE A 82 10.141 10.397 35.527 1.00 14.06 C ATOM 711 CE1 PHE A 82 12.816 10.958 35.196 1.00 14.45 C ATOM 712 CE2 PHE A 82 10.531 11.495 34.778 1.00 14.34 C ATOM 713 CZ PHE A 82 11.872 11.776 34.610 1.00 14.22 C ATOM 714 H PHE A 82 12.566 7.121 35.138 1.00 0.00 H ATOM 715 N ALA A 83 8.558 7.411 34.950 1.00 13.35 N ATOM 716 CA ALA A 83 7.717 7.647 33.781 1.00 13.37 C ATOM 717 C ALA A 83 7.260 9.100 33.771 1.00 13.66 C ATOM 718 O ALA A 83 6.848 9.633 34.798 1.00 13.47 O ATOM 719 CB ALA A 83 6.521 6.706 33.776 1.00 13.71 C ATOM 720 H ALA A 83 8.125 7.421 35.895 1.00 0.00 H ATOM 721 N ILE A 84 7.321 9.722 32.599 1.00 13.89 N ATOM 722 CA ILE A 84 7.045 11.163 32.461 1.00 14.08 C ATOM 723 C ILE A 84 5.575 11.538 32.684 1.00 14.47 C ATOM 724 O ILE A 84 5.250 12.721 32.774 1.00 14.25 O ATOM 725 CB ILE A 84 7.560 11.734 31.111 1.00 14.22 C ATOM 726 CG1 ILE A 84 6.839 11.103 29.905 1.00 14.54 C ATOM 727 CG2 ILE A 84 9.065 11.540 31.003 1.00 14.20 C ATOM 728 CD1 ILE A 84 5.538 11.767 29.505 1.00 14.92 C ATOM 729 H ILE A 84 7.572 9.174 31.751 1.00 0.00 H ATOM 730 N ASN A 85 4.695 10.542 32.758 1.00 14.81 N ATOM 731 CA ASN A 85 3.287 10.755 33.111 1.00 15.69 C ATOM 732 C ASN A 85 2.934 10.303 34.542 1.00 16.00 C ATOM 733 O ASN A 85 1.761 10.161 34.874 1.00 16.08 O ATOM 734 CB ASN A 85 2.399 10.014 32.114 1.00 16.11 C ATOM 735 CG ASN A 85 2.520 8.507 32.240 1.00 16.60 C ATOM 736 OD1 ASN A 85 3.551 7.986 32.671 1.00 16.68 O ATOM 737 ND2 ASN A 85 1.474 7.797 31.842 1.00 17.84 N ATOM 738 HD22 ASN A 85 0.624 8.279 31.485 1.00 0.00 H ATOM 739 HD21 ASN A 85 1.503 6.758 31.887 1.00 0.00 H ATOM 740 H ASN A 85 5.018 9.574 32.558 1.00 0.00 H ATOM 741 N ASN A 86 3.946 10.072 35.377 1.00 16.64 N ATOM 742 CA ASN A 86 3.753 9.503 36.711 1.00 17.36 C ATOM 743 C ASN A 86 4.633 10.262 37.710 1.00 16.92 C ATOM 744 O ASN A 86 5.790 9.915 37.915 1.00 16.16 O ATOM 745 CB ASN A 86 4.087 7.999 36.658 1.00 18.98 C ATOM 746 CG ASN A 86 3.916 7.282 37.987 1.00 20.52 C ATOM 747 OD1 ASN A 86 3.841 7.889 39.047 1.00 21.19 O ATOM 748 ND2 ASN A 86 3.888 5.946 37.925 1.00 23.14 N ATOM 749 HD22 ASN A 86 3.954 5.467 37.004 1.00 0.00 H ATOM 750 HD21 ASN A 86 3.800 5.387 38.797 1.00 0.00 H ATOM 751 H ASN A 86 4.911 10.305 35.068 1.00 0.00 H ATOM 752 N THR A 87 4.074 11.303 38.323 1.00 16.92 N ATOM 753 CA THR A 87 4.834 12.132 39.254 1.00 17.05 C ATOM 754 C THR A 87 5.330 11.352 40.466 1.00 16.50 C ATOM 755 O THR A 87 6.410 11.627 40.966 1.00 15.96 O ATOM 756 CB THR A 87 4.022 13.344 39.752 1.00 18.04 C ATOM 757 OG1 THR A 87 2.765 12.905 40.281 1.00 19.25 O ATOM 758 CG2 THR A 87 3.782 14.314 38.624 1.00 18.33 C ATOM 759 HG1 THR A 87 2.925 12.285 41.037 1.00 0.00 H ATOM 760 H THR A 87 3.077 11.530 38.135 1.00 0.00 H ATOM 761 N LYS A 88 4.546 10.389 40.942 1.00 16.69 N ATOM 762 CA LYS A 88 4.973 9.584 42.075 1.00 17.18 C ATOM 763 C LYS A 88 6.263 8.825 41.756 1.00 16.09 C ATOM 764 O LYS A 88 7.149 8.739 42.602 1.00 15.59 O ATOM 765 CB LYS A 88 3.878 8.606 42.513 1.00 18.91 C ATOM 766 CG LYS A 88 4.237 7.884 43.796 1.00 21.65 C ATOM 767 CD LYS A 88 3.085 7.073 44.364 1.00 23.98 C ATOM 768 CE LYS A 88 3.478 6.444 45.692 1.00 25.50 C ATOM 769 NZ LYS A 88 4.694 5.585 45.579 1.00 27.46 N ATOM 770 HZ1 LYS A 88 4.513 4.817 44.901 1.00 0.00 H ATOM 771 HZ2 LYS A 88 5.494 6.161 45.247 1.00 0.00 H ATOM 772 HZ3 LYS A 88 4.919 5.181 46.510 1.00 0.00 H ATOM 773 H LYS A 88 3.621 10.211 40.501 1.00 0.00 H ATOM 774 N SER A 89 6.378 8.296 40.540 1.00 15.33 N ATOM 775 CA SER A 89 7.586 7.567 40.142 1.00 14.75 C ATOM 776 C SER A 89 8.802 8.495 40.091 1.00 14.41 C ATOM 777 O SER A 89 9.915 8.065 40.366 1.00 14.33 O ATOM 778 CB SER A 89 7.409 6.845 38.801 1.00 14.93 C ATOM 779 OG SER A 89 7.323 7.746 37.703 1.00 14.79 O ATOM 780 HG SER A 89 6.547 8.347 37.831 1.00 0.00 H ATOM 781 H SER A 89 5.598 8.402 39.861 1.00 0.00 H ATOM 782 N PHE A 90 8.584 9.760 39.740 1.00 14.25 N ATOM 783 CA PHE A 90 9.655 10.761 39.737 1.00 14.21 C ATOM 784 C PHE A 90 10.070 11.117 41.167 1.00 15.06 C ATOM 785 O PHE A 90 11.259 11.198 41.469 1.00 14.61 O ATOM 786 CB PHE A 90 9.206 12.008 38.962 1.00 14.30 C ATOM 787 CG PHE A 90 10.253 13.080 38.853 1.00 14.21 C ATOM 788 CD1 PHE A 90 11.396 12.876 38.096 1.00 14.25 C ATOM 789 CD2 PHE A 90 10.084 14.304 39.487 1.00 14.43 C ATOM 790 CE1 PHE A 90 12.363 13.862 37.987 1.00 14.20 C ATOM 791 CE2 PHE A 90 11.043 15.297 39.378 1.00 14.46 C ATOM 792 CZ PHE A 90 12.180 15.076 38.623 1.00 14.40 C ATOM 793 H PHE A 90 7.625 10.047 39.459 1.00 0.00 H ATOM 794 N GLU A 91 9.092 11.285 42.052 1.00 15.78 N ATOM 795 CA GLU A 91 9.383 11.541 43.461 1.00 17.05 C ATOM 796 C GLU A 91 10.103 10.368 44.118 1.00 17.75 C ATOM 797 O GLU A 91 10.900 10.566 45.023 1.00 18.78 O ATOM 798 CB GLU A 91 8.110 11.849 44.242 1.00 17.86 C ATOM 799 CG GLU A 91 7.432 13.138 43.818 1.00 18.68 C ATOM 800 CD GLU A 91 6.197 13.446 44.639 1.00 19.58 C ATOM 801 OE1 GLU A 91 6.056 12.900 45.756 1.00 20.48 O ATOM 802 OE2 GLU A 91 5.364 14.250 44.173 1.00 21.35 O ATOM 803 H GLU A 91 8.103 11.233 41.736 1.00 0.00 H ATOM 804 N ASP A 92 9.823 9.149 43.667 1.00 18.17 N ATOM 805 CA ASP A 92 10.484 7.961 44.204 1.00 18.77 C ATOM 806 C ASP A 92 11.974 7.896 43.876 1.00 18.14 C ATOM 807 O ASP A 92 12.721 7.215 44.564 1.00 17.76 O ATOM 808 CB ASP A 92 9.843 6.670 43.677 1.00 20.30 C ATOM 809 CG ASP A 92 8.508 6.352 44.321 1.00 22.55 C ATOM 810 OD1 ASP A 92 8.158 6.939 45.375 1.00 24.04 O ATOM 811 OD2 ASP A 92 7.804 5.482 43.761 1.00 25.05 O ATOM 812 H ASP A 92 9.116 9.038 42.913 1.00 0.00 H ATOM 813 N ILE A 93 12.413 8.592 42.829 1.00 17.32 N ATOM 814 CA ILE A 93 13.801 8.488 42.383 1.00 17.42 C ATOM 815 C ILE A 93 14.793 8.753 43.509 1.00 17.66 C ATOM 816 O ILE A 93 15.758 8.005 43.666 1.00 17.33 O ATOM 817 CB ILE A 93 14.095 9.428 41.183 1.00 16.96 C ATOM 818 CG1 ILE A 93 13.316 8.967 39.942 1.00 16.62 C ATOM 819 CG2 ILE A 93 15.590 9.480 40.880 1.00 17.16 C ATOM 820 CD1 ILE A 93 13.766 7.639 39.348 1.00 16.49 C ATOM 821 H ILE A 93 11.758 9.220 42.321 1.00 0.00 H ATOM 822 N HIS A 94 14.557 9.808 44.295 1.00 18.73 N ATOM 823 CA HIS A 94 15.510 10.155 45.386 1.00 19.59 C ATOM 824 C HIS A 94 15.600 9.017 46.413 1.00 19.89 C ATOM 825 O HIS A 94 16.680 8.823 46.977 1.00 20.12 O ATOM 826 CB HIS A 94 15.293 11.586 45.914 1.00 20.72 C ATOM 827 CG HIS A 94 14.117 11.781 46.810 1.00 20.60 C ATOM 828 ND1 HIS A 94 12.824 11.844 46.334 1.00 21.18 N ATOM 829 CD2 HIS A 94 14.039 11.985 48.143 1.00 20.97 C ATOM 830 CE1 HIS A 94 11.995 12.049 47.337 1.00 20.70 C ATOM 831 NE2 HIS A 94 12.718 12.145 48.459 1.00 21.44 N ATOM 832 H HIS A 94 13.707 10.388 44.145 1.00 0.00 H ATOM 833 N HIS A 95 14.504 8.290 46.622 1.00 19.66 N ATOM 834 CA HIS A 95 14.502 7.142 47.533 1.00 19.70 C ATOM 835 C HIS A 95 15.305 5.967 46.978 1.00 19.26 C ATOM 836 O HIS A 95 16.059 5.332 47.711 1.00 19.68 O ATOM 837 CB HIS A 95 13.080 6.699 47.848 1.00 20.66 C ATOM 838 CG HIS A 95 12.246 7.772 48.467 1.00 21.59 C ATOM 839 ND1 HIS A 95 12.666 8.501 49.557 1.00 22.61 N ATOM 840 CD2 HIS A 95 11.018 8.242 48.149 1.00 22.31 C ATOM 841 CE1 HIS A 95 11.727 9.370 49.888 1.00 22.88 C ATOM 842 NE2 HIS A 95 10.722 9.238 49.044 1.00 22.42 N ATOM 843 H HIS A 95 13.626 8.544 46.126 1.00 0.00 H ATOM 844 N TYR A 96 15.156 5.688 45.685 1.00 18.88 N ATOM 845 CA TYR A 96 15.967 4.652 45.031 1.00 19.06 C ATOM 846 C TYR A 96 17.448 5.007 45.099 1.00 19.47 C ATOM 847 O TYR A 96 18.288 4.147 45.394 1.00 19.62 O ATOM 848 CB TYR A 96 15.527 4.430 43.580 1.00 18.88 C ATOM 849 CG TYR A 96 14.266 3.604 43.501 1.00 19.02 C ATOM 850 CD1 TYR A 96 14.315 2.223 43.628 1.00 19.61 C ATOM 851 CD2 TYR A 96 13.025 4.205 43.348 1.00 19.31 C ATOM 852 CE1 TYR A 96 13.168 1.460 43.589 1.00 19.67 C ATOM 853 CE2 TYR A 96 11.868 3.448 43.316 1.00 19.67 C ATOM 854 CZ TYR A 96 11.948 2.074 43.434 1.00 19.50 C ATOM 855 OH TYR A 96 10.808 1.312 43.406 1.00 19.86 O ATOM 856 HH TYR A 96 10.214 1.581 44.151 1.00 0.00 H ATOM 857 H TYR A 96 14.452 6.213 45.127 1.00 0.00 H ATOM 858 N ARG A 97 17.761 6.276 44.845 1.00 20.22 N ATOM 859 CA ARG A 97 19.127 6.759 44.928 1.00 21.81 C ATOM 860 C ARG A 97 19.702 6.504 46.318 1.00 22.73 C ATOM 861 O ARG A 97 20.822 6.017 46.432 1.00 22.35 O ATOM 862 CB ARG A 97 19.219 8.248 44.582 1.00 23.28 C ATOM 863 CG ARG A 97 20.647 8.777 44.700 1.00 25.04 C ATOM 864 CD ARG A 97 20.982 9.818 43.649 1.00 26.24 C ATOM 865 NE ARG A 97 22.307 10.426 43.820 1.00 28.46 N ATOM 866 CZ ARG A 97 22.664 11.269 44.790 1.00 30.25 C ATOM 867 NH1 ARG A 97 21.813 11.627 45.749 1.00 31.09 N ATOM 868 NH2 ARG A 97 23.905 11.757 44.801 1.00 31.34 N ATOM 869 HE ARG A 97 23.035 10.176 43.120 1.00 0.00 H ATOM 870 HH12 ARG A 97 22.116 12.286 46.494 1.00 0.00 H ATOM 871 HH11 ARG A 97 20.845 11.248 45.753 1.00 0.00 H ATOM 872 HH22 ARG A 97 24.198 12.415 45.551 1.00 0.00 H ATOM 873 HH21 ARG A 97 24.580 11.479 44.060 1.00 0.00 H ATOM 874 H ARG A 97 17.005 6.940 44.580 1.00 0.00 H ATOM 875 N GLU A 98 18.943 6.836 47.363 1.00 23.63 N ATOM 876 CA GLU A 98 19.422 6.666 48.735 1.00 25.87 C ATOM 877 C GLU A 98 19.687 5.199 49.048 1.00 25.57 C ATOM 878 O GLU A 98 20.710 4.873 49.644 1.00 25.95 O ATOM 879 CB GLU A 98 18.443 7.250 49.768 1.00 28.39 C ATOM 880 CG GLU A 98 18.230 8.757 49.724 1.00 30.92 C ATOM 881 CD GLU A 98 19.492 9.531 49.403 1.00 33.71 C ATOM 882 OE1 GLU A 98 20.494 9.387 50.137 1.00 36.33 O ATOM 883 OE2 GLU A 98 19.480 10.282 48.408 1.00 36.11 O ATOM 884 H GLU A 98 17.992 7.223 47.200 1.00 0.00 H ATOM 885 N GLN A 99 18.779 4.326 48.622 1.00 25.20 N ATOM 886 CA GLN A 99 18.919 2.882 48.854 1.00 26.24 C ATOM 887 C GLN A 99 20.189 2.336 48.201 1.00 25.70 C ATOM 888 O GLN A 99 20.939 1.560 48.811 1.00 25.69 O ATOM 889 CB GLN A 99 17.693 2.126 48.335 1.00 27.20 C ATOM 890 CG GLN A 99 16.391 2.437 49.063 1.00 28.35 C ATOM 891 CD GLN A 99 16.466 2.162 50.546 1.00 29.36 C ATOM 892 OE1 GLN A 99 15.961 2.938 51.357 1.00 32.03 O ATOM 893 NE2 GLN A 99 17.127 1.076 50.914 1.00 29.84 N ATOM 894 HE22 GLN A 99 17.538 0.448 50.194 1.00 0.00 H ATOM 895 HE21 GLN A 99 17.236 0.851 51.923 1.00 0.00 H ATOM 896 H GLN A 99 17.945 4.676 48.109 1.00 0.00 H ATOM 897 N ILE A 100 20.441 2.766 46.968 1.00 24.98 N ATOM 898 CA ILE A 100 21.628 2.329 46.233 1.00 24.58 C ATOM 899 C ILE A 100 22.912 2.790 46.925 1.00 25.06 C ATOM 900 O ILE A 100 23.836 2.001 47.136 1.00 24.16 O ATOM 901 CB ILE A 100 21.620 2.849 44.780 1.00 24.39 C ATOM 902 CG1 ILE A 100 20.476 2.199 43.996 1.00 24.46 C ATOM 903 CG2 ILE A 100 22.956 2.558 44.097 1.00 24.74 C ATOM 904 CD1 ILE A 100 20.090 2.956 42.747 1.00 24.46 C ATOM 905 H ILE A 100 19.779 3.428 46.516 1.00 0.00 H ATOM 906 N LYS A 101 22.969 4.072 47.267 1.00 25.93 N ATOM 907 CA LYS A 101 24.148 4.624 47.926 1.00 27.62 C ATOM 908 C LYS A 101 24.462 3.900 49.234 1.00 28.04 C ATOM 909 O LYS A 101 25.630 3.648 49.533 1.00 28.71 O ATOM 910 CB LYS A 101 23.970 6.111 48.201 1.00 28.87 C ATOM 911 CG LYS A 101 24.121 6.967 46.958 1.00 30.54 C ATOM 912 CD LYS A 101 24.195 8.433 47.345 1.00 32.80 C ATOM 913 CE LYS A 101 24.890 9.274 46.287 1.00 33.86 C ATOM 914 NZ LYS A 101 26.362 9.060 46.206 1.00 34.76 N ATOM 915 HZ1 LYS A 101 26.797 9.299 47.120 1.00 0.00 H ATOM 916 HZ2 LYS A 101 26.554 8.063 45.979 1.00 0.00 H ATOM 917 HZ3 LYS A 101 26.759 9.669 45.462 1.00 0.00 H ATOM 918 H LYS A 101 22.160 4.693 47.062 1.00 0.00 H ATOM 919 N ARG A 102 23.424 3.566 49.995 1.00 28.42 N ATOM 920 CA ARG A 102 23.593 2.888 51.284 1.00 30.36 C ATOM 921 C ARG A 102 24.212 1.501 51.098 1.00 29.90 C ATOM 922 O ARG A 102 25.202 1.174 51.756 1.00 30.19 O ATOM 923 CB ARG A 102 22.266 2.821 52.052 1.00 31.89 C ATOM 924 CG ARG A 102 21.720 4.184 52.548 1.00 33.56 C ATOM 925 CD ARG A 102 22.807 5.167 52.981 1.00 34.91 C ATOM 926 NE ARG A 102 22.277 6.436 53.498 1.00 36.46 N ATOM 927 CZ ARG A 102 21.795 7.420 52.735 1.00 37.50 C ATOM 928 NH1 ARG A 102 21.344 8.535 53.299 1.00 37.25 N ATOM 929 NH2 ARG A 102 21.764 7.306 51.407 1.00 38.56 N ATOM 930 HE ARG A 102 22.277 6.577 54.528 1.00 0.00 H ATOM 931 HH12 ARG A 102 20.968 9.302 52.706 1.00 0.00 H ATOM 932 HH11 ARG A 102 21.367 8.640 54.333 1.00 0.00 H ATOM 933 HH22 ARG A 102 21.385 8.082 50.827 1.00 0.00 H ATOM 934 HH21 ARG A 102 22.119 6.441 50.951 1.00 0.00 H ATOM 935 H ARG A 102 22.464 3.792 49.666 1.00 0.00 H ATOM 936 N VAL A 103 23.672 0.712 50.173 1.00 29.66 N ATOM 937 CA VAL A 103 24.190 -0.642 49.923 1.00 30.46 C ATOM 938 C VAL A 103 25.581 -0.647 49.262 1.00 30.36 C ATOM 939 O VAL A 103 26.397 -1.530 49.540 1.00 31.43 O ATOM 940 CB VAL A 103 23.187 -1.503 49.109 1.00 31.46 C ATOM 941 CG1 VAL A 103 23.062 -1.046 47.659 1.00 31.91 C ATOM 942 CG2 VAL A 103 23.577 -2.975 49.171 1.00 32.47 C ATOM 943 H VAL A 103 22.866 1.060 49.615 1.00 0.00 H ATOM 944 N LYS A 104 25.835 0.326 48.385 1.00 29.68 N ATOM 945 CA LYS A 104 27.149 0.488 47.741 1.00 30.85 C ATOM 946 C LYS A 104 28.138 1.306 48.642 1.00 32.06 C ATOM 947 O LYS A 104 29.276 1.585 48.251 1.00 34.91 O ATOM 948 CB LYS A 104 26.992 1.199 46.389 1.00 30.27 C ATOM 949 CG LYS A 104 26.193 0.476 45.300 1.00 30.57 C ATOM 950 CD LYS A 104 26.876 -0.767 44.743 1.00 30.53 C ATOM 951 CE LYS A 104 28.084 -0.460 43.871 1.00 30.27 C ATOM 952 NZ LYS A 104 28.811 -1.704 43.495 1.00 30.31 N ATOM 953 HZ1 LYS A 104 29.138 -2.187 44.356 1.00 0.00 H ATOM 954 HZ2 LYS A 104 28.172 -2.331 42.966 1.00 0.00 H ATOM 955 HZ3 LYS A 104 29.629 -1.460 42.901 1.00 0.00 H ATOM 956 H LYS A 104 25.076 0.996 48.147 1.00 0.00 H ATOM 957 N ASP A 105 27.687 1.660 49.853 1.00 32.75 N ATOM 958 CA ASP A 105 28.493 2.396 50.875 1.00 33.50 C ATOM 959 C ASP A 105 28.638 3.909 50.631 1.00 36.16 C ATOM 960 O ASP A 105 29.725 4.435 50.925 1.00 36.46 O ATOM 961 CB ASP A 105 29.824 1.707 51.186 1.00 32.88 C ATOM 962 CG ASP A 105 30.544 2.313 52.381 1.00 32.68 C ATOM 963 OD1 ASP A 105 29.865 2.919 53.229 1.00 32.45 O ATOM 964 OD2 ASP A 105 31.776 2.185 52.445 1.00 32.48 O ATOM 965 H ASP A 105 26.709 1.405 50.099 1.00 0.00 H ATOM 966 N SER A 106 27.653 4.552 49.996 1.00 38.35 N ATOM 967 CA SER A 106 27.619 6.035 49.841 1.00 40.27 C ATOM 968 C SER A 106 28.819 6.580 49.052 1.00 41.68 C ATOM 969 O SER A 106 29.128 7.775 49.188 1.00 42.15 O ATOM 970 CB SER A 106 27.478 6.722 51.177 1.00 41.02 C ATOM 971 OG SER A 106 26.133 6.685 51.622 1.00 42.04 O ATOM 972 HG SER A 106 26.064 7.140 52.498 1.00 0.00 H ATOM 973 H SER A 106 26.875 3.993 49.592 1.00 0.00 H ATOM 974 N GLU A 107 29.436 5.739 48.231 1.00 42.68 N ATOM 975 CA GLU A 107 30.556 6.105 47.382 1.00 43.95 C ATOM 976 C GLU A 107 30.003 6.636 46.063 1.00 43.12 C ATOM 977 O GLU A 107 28.794 6.616 45.846 1.00 42.89 O ATOM 978 CB GLU A 107 31.481 4.903 47.175 1.00 45.85 C ATOM 979 CG GLU A 107 31.026 3.890 46.114 1.00 47.37 C ATOM 980 CD GLU A 107 31.700 2.536 46.260 1.00 48.86 C ATOM 981 OE1 GLU A 107 31.084 1.506 45.887 1.00 49.20 O ATOM 982 OE2 GLU A 107 32.850 2.506 46.749 1.00 51.57 O ATOM 983 H GLU A 107 29.096 4.757 48.193 1.00 0.00 H ATOM 984 N ASP A 108 30.874 7.130 45.189 1.00 40.75 N ATOM 985 CA ASP A 108 30.426 7.561 43.861 1.00 39.30 C ATOM 986 C ASP A 108 29.904 6.326 43.139 1.00 34.53 C ATOM 987 O ASP A 108 30.670 5.397 42.921 1.00 36.00 O ATOM 988 CB ASP A 108 31.583 8.173 43.065 1.00 41.22 C ATOM 989 CG ASP A 108 31.146 8.738 41.717 1.00 43.83 C ATOM 990 OD1 ASP A 108 30.983 7.943 40.770 1.00 46.42 O ATOM 991 OD2 ASP A 108 30.991 9.975 41.592 1.00 45.46 O ATOM 992 H ASP A 108 31.878 7.211 45.448 1.00 0.00 H ATOM 993 N VAL A 109 28.613 6.303 42.799 1.00 28.81 N ATOM 994 CA VAL A 109 28.016 5.160 42.103 1.00 24.85 C ATOM 995 C VAL A 109 27.523 5.613 40.737 1.00 21.96 C ATOM 996 O VAL A 109 26.699 6.524 40.666 1.00 20.65 O ATOM 997 CB VAL A 109 26.826 4.567 42.891 1.00 24.73 C ATOM 998 CG1 VAL A 109 26.239 3.365 42.157 1.00 24.95 C ATOM 999 CG2 VAL A 109 27.260 4.179 44.297 1.00 25.04 C ATOM 1000 H VAL A 109 28.014 7.120 43.035 1.00 0.00 H ATOM 1001 N PRO A 110 28.011 4.978 39.651 1.00 19.60 N ATOM 1002 CA PRO A 110 27.524 5.329 38.316 1.00 18.95 C ATOM 1003 C PRO A 110 26.017 5.149 38.186 1.00 18.63 C ATOM 1004 O PRO A 110 25.490 4.069 38.480 1.00 17.86 O ATOM 1005 CB PRO A 110 28.264 4.353 37.404 1.00 19.24 C ATOM 1006 CG PRO A 110 29.522 4.052 38.134 1.00 19.39 C ATOM 1007 CD PRO A 110 29.153 4.045 39.585 1.00 19.57 C ATOM 1008 N MET A 111 25.333 6.214 37.777 1.00 18.00 N ATOM 1009 CA MET A 111 23.892 6.170 37.574 1.00 17.64 C ATOM 1010 C MET A 111 23.493 7.051 36.400 1.00 16.24 C ATOM 1011 O MET A 111 24.202 7.994 36.048 1.00 15.82 O ATOM 1012 CB MET A 111 23.152 6.662 38.818 1.00 18.80 C ATOM 1013 CG MET A 111 23.469 5.919 40.109 1.00 19.98 C ATOM 1014 SD MET A 111 22.423 6.472 41.468 1.00 22.23 S ATOM 1015 CE MET A 111 23.319 5.899 42.900 1.00 23.07 C ATOM 1016 H MET A 111 25.842 7.103 37.597 1.00 0.00 H ATOM 1017 N VAL A 112 22.351 6.729 35.806 1.00 15.33 N ATOM 1018 CA VAL A 112 21.726 7.568 34.791 1.00 14.77 C ATOM 1019 C VAL A 112 20.257 7.689 35.125 1.00 14.58 C ATOM 1020 O VAL A 112 19.599 6.691 35.431 1.00 14.84 O ATOM 1021 CB VAL A 112 21.880 6.974 33.375 1.00 14.83 C ATOM 1022 CG1 VAL A 112 21.089 7.776 32.349 1.00 14.96 C ATOM 1023 CG2 VAL A 112 23.345 6.937 32.992 1.00 14.75 C ATOM 1024 H VAL A 112 21.882 5.841 36.076 1.00 0.00 H ATOM 1025 N LEU A 113 19.749 8.915 35.071 1.00 14.02 N ATOM 1026 CA LEU A 113 18.331 9.174 35.262 1.00 13.71 C ATOM 1027 C LEU A 113 17.621 8.995 33.929 1.00 13.88 C ATOM 1028 O LEU A 113 18.019 9.589 32.929 1.00 13.57 O ATOM 1029 CB LEU A 113 18.128 10.600 35.780 1.00 13.62 C ATOM 1030 CG LEU A 113 16.690 10.996 36.105 1.00 13.74 C ATOM 1031 CD1 LEU A 113 16.156 10.166 37.261 1.00 13.90 C ATOM 1032 CD2 LEU A 113 16.598 12.485 36.404 1.00 13.73 C ATOM 1033 H LEU A 113 20.386 9.716 34.886 1.00 0.00 H ATOM 1034 N VAL A 114 16.577 8.165 33.921 1.00 13.43 N ATOM 1035 CA VAL A 114 15.845 7.828 32.698 1.00 13.60 C ATOM 1036 C VAL A 114 14.380 8.210 32.842 1.00 13.43 C ATOM 1037 O VAL A 114 13.698 7.718 33.744 1.00 13.26 O ATOM 1038 CB VAL A 114 15.938 6.319 32.392 1.00 13.62 C ATOM 1039 CG1 VAL A 114 15.121 5.966 31.150 1.00 14.01 C ATOM 1040 CG2 VAL A 114 17.391 5.901 32.228 1.00 13.89 C ATOM 1041 H VAL A 114 16.270 7.740 34.819 1.00 0.00 H ATOM 1042 N GLY A 115 13.907 9.091 31.963 1.00 13.05 N ATOM 1043 CA GLY A 115 12.497 9.467 31.916 1.00 13.27 C ATOM 1044 C GLY A 115 11.826 8.748 30.765 1.00 13.33 C ATOM 1045 O GLY A 115 12.014 9.113 29.608 1.00 13.49 O ATOM 1046 H GLY A 115 14.565 9.527 31.286 1.00 0.00 H ATOM 1047 N ASN A 116 11.057 7.709 31.083 1.00 13.07 N ATOM 1048 CA ASN A 116 10.456 6.840 30.074 1.00 13.27 C ATOM 1049 C ASN A 116 9.011 7.234 29.718 1.00 13.38 C ATOM 1050 O ASN A 116 8.380 8.035 30.418 1.00 13.40 O ATOM 1051 CB ASN A 116 10.523 5.386 30.560 1.00 13.01 C ATOM 1052 CG ASN A 116 10.131 4.379 29.489 1.00 13.11 C ATOM 1053 OD1 ASN A 116 10.512 4.502 28.322 1.00 13.22 O ATOM 1054 ND2 ASN A 116 9.352 3.380 29.880 1.00 13.14 N ATOM 1055 HD22 ASN A 116 9.053 3.312 30.874 1.00 0.00 H ATOM 1056 HD21 ASN A 116 9.040 2.664 29.193 1.00 0.00 H ATOM 1057 H ASN A 116 10.877 7.508 32.088 1.00 0.00 H ATOM 1058 N LYS A 117 8.505 6.666 28.623 1.00 13.91 N ATOM 1059 CA LYS A 117 7.141 6.902 28.117 1.00 14.14 C ATOM 1060 C LYS A 117 6.988 8.274 27.462 1.00 14.65 C ATOM 1061 O LYS A 117 5.921 8.878 27.509 1.00 14.24 O ATOM 1062 CB LYS A 117 6.058 6.672 29.195 1.00 14.40 C ATOM 1063 CG LYS A 117 6.209 5.375 29.983 1.00 14.38 C ATOM 1064 CD LYS A 117 4.913 4.955 30.658 1.00 14.61 C ATOM 1065 CE LYS A 117 5.142 3.751 31.563 1.00 14.73 C ATOM 1066 NZ LYS A 117 3.908 3.349 32.290 1.00 14.83 N ATOM 1067 HZ1 LYS A 117 3.582 4.140 32.881 1.00 0.00 H ATOM 1068 HZ2 LYS A 117 3.168 3.100 31.603 1.00 0.00 H ATOM 1069 HZ3 LYS A 117 4.114 2.526 32.892 1.00 0.00 H ATOM 1070 H LYS A 117 9.114 6.012 28.090 1.00 0.00 H ATOM 1071 N SER A 118 8.046 8.727 26.796 1.00 15.23 N ATOM 1072 CA SER A 118 8.054 10.043 26.155 1.00 16.22 C ATOM 1073 C SER A 118 7.024 10.176 25.030 1.00 16.52 C ATOM 1074 O SER A 118 6.655 11.284 24.655 1.00 16.88 O ATOM 1075 CB SER A 118 9.443 10.348 25.612 1.00 16.77 C ATOM 1076 OG SER A 118 9.791 9.485 24.537 1.00 17.25 O ATOM 1077 HG SER A 118 10.698 9.714 24.212 1.00 0.00 H ATOM 1078 H SER A 118 8.894 8.128 26.728 1.00 0.00 H ATOM 1079 N ASP A 119 6.573 9.044 24.497 1.00 16.72 N ATOM 1080 CA ASP A 119 5.521 9.011 23.484 1.00 16.83 C ATOM 1081 C ASP A 119 4.140 9.458 23.987 1.00 17.26 C ATOM 1082 O ASP A 119 3.276 9.813 23.187 1.00 18.29 O ATOM 1083 CB ASP A 119 5.410 7.589 22.912 1.00 16.89 C ATOM 1084 CG ASP A 119 5.090 6.558 23.976 1.00 16.82 C ATOM 1085 OD1 ASP A 119 6.005 6.194 24.751 1.00 16.71 O ATOM 1086 OD2 ASP A 119 3.934 6.086 24.038 1.00 17.15 O ATOM 1087 H ASP A 119 6.987 8.144 24.815 1.00 0.00 H ATOM 1088 N LEU A 120 3.916 9.427 25.298 1.00 17.31 N ATOM 1089 CA LEU A 120 2.586 9.707 25.842 1.00 17.80 C ATOM 1090 C LEU A 120 2.292 11.204 25.936 1.00 17.92 C ATOM 1091 O LEU A 120 3.178 11.987 26.254 1.00 18.43 O ATOM 1092 CB LEU A 120 2.423 9.039 27.210 1.00 18.12 C ATOM 1093 CG LEU A 120 2.382 7.509 27.182 1.00 18.76 C ATOM 1094 CD1 LEU A 120 2.214 6.962 28.590 1.00 19.14 C ATOM 1095 CD2 LEU A 120 1.276 6.991 26.264 1.00 19.23 C ATOM 1096 H LEU A 120 4.697 9.201 25.946 1.00 0.00 H ATOM 1097 N PRO A 121 1.040 11.604 25.657 1.00 18.05 N ATOM 1098 CA PRO A 121 0.669 13.016 25.673 1.00 18.75 C ATOM 1099 C PRO A 121 0.412 13.621 27.055 1.00 20.03 C ATOM 1100 O PRO A 121 0.625 14.827 27.228 1.00 20.38 O ATOM 1101 CB PRO A 121 -0.616 13.037 24.845 1.00 18.64 C ATOM 1102 CG PRO A 121 -1.225 11.703 25.079 1.00 18.26 C ATOM 1103 CD PRO A 121 -0.066 10.752 25.180 1.00 18.20 C ATOM 1104 N SER A 122 -0.051 12.803 28.000 1.00 20.44 N ATOM 1105 CA SER A 122 -0.432 13.285 29.356 1.00 21.53 C ATOM 1106 C SER A 122 0.785 13.398 30.277 1.00 20.09 C ATOM 1107 O SER A 122 0.816 12.754 31.318 1.00 19.85 O ATOM 1108 CB SER A 122 -1.507 12.419 29.935 1.00 23.31 C ATOM 1109 OG SER A 122 -2.696 12.604 29.189 1.00 26.65 O ATOM 1110 HG SER A 122 -3.413 12.034 29.566 1.00 0.00 H ATOM 1111 H SER A 122 -0.150 11.791 27.782 1.00 0.00 H ATOM 1112 N ARG A 123 1.725 14.253 29.895 1.00 18.94 N ATOM 1113 CA ARG A 123 2.954 14.463 30.644 1.00 18.18 C ATOM 1114 C ARG A 123 2.661 15.196 31.944 1.00 18.04 C ATOM 1115 O ARG A 123 1.857 16.132 31.969 1.00 18.70 O ATOM 1116 CB ARG A 123 3.906 15.296 29.793 1.00 17.76 C ATOM 1117 CG ARG A 123 5.205 15.678 30.466 1.00 17.82 C ATOM 1118 CD ARG A 123 6.092 16.420 29.489 1.00 17.52 C ATOM 1119 NE ARG A 123 6.682 15.544 28.480 1.00 17.37 N ATOM 1120 CZ ARG A 123 7.862 14.937 28.586 1.00 17.43 C ATOM 1121 NH1 ARG A 123 8.304 14.182 27.589 1.00 17.62 N ATOM 1122 NH2 ARG A 123 8.601 15.060 29.679 1.00 17.24 N ATOM 1123 HE ARG A 123 6.137 15.382 27.609 1.00 0.00 H ATOM 1124 HH12 ARG A 123 9.225 13.705 27.666 1.00 0.00 H ATOM 1125 HH11 ARG A 123 7.729 14.067 26.730 1.00 0.00 H ATOM 1126 HH22 ARG A 123 9.520 14.578 29.742 1.00 0.00 H ATOM 1127 HH21 ARG A 123 8.262 15.639 30.474 1.00 0.00 H ATOM 1128 H ARG A 123 1.576 14.797 29.021 1.00 0.00 H ATOM 1129 N THR A 124 3.310 14.754 33.015 1.00 17.33 N ATOM 1130 CA THR A 124 3.235 15.426 34.307 1.00 17.28 C ATOM 1131 C THR A 124 4.608 15.768 34.894 1.00 16.79 C ATOM 1132 O THR A 124 4.684 16.450 35.914 1.00 17.01 O ATOM 1133 CB THR A 124 2.444 14.578 35.316 1.00 17.65 C ATOM 1134 OG1 THR A 124 3.046 13.279 35.428 1.00 18.05 O ATOM 1135 CG2 THR A 124 0.996 14.439 34.875 1.00 17.86 C ATOM 1136 HG1 THR A 124 2.535 12.735 36.078 1.00 0.00 H ATOM 1137 H THR A 124 3.893 13.897 32.929 1.00 0.00 H ATOM 1138 N VAL A 125 5.682 15.297 34.262 1.00 16.15 N ATOM 1139 CA VAL A 125 7.039 15.655 34.654 1.00 16.13 C ATOM 1140 C VAL A 125 7.745 16.190 33.420 1.00 16.72 C ATOM 1141 O VAL A 125 7.800 15.514 32.398 1.00 16.84 O ATOM 1142 CB VAL A 125 7.819 14.443 35.202 1.00 15.97 C ATOM 1143 CG1 VAL A 125 9.196 14.876 35.674 1.00 16.05 C ATOM 1144 CG2 VAL A 125 7.048 13.767 36.324 1.00 16.29 C ATOM 1145 H VAL A 125 5.547 14.650 33.459 1.00 0.00 H ATOM 1146 N ASP A 126 8.268 17.409 33.504 1.00 16.83 N ATOM 1147 CA ASP A 126 8.945 18.020 32.369 1.00 18.00 C ATOM 1148 C ASP A 126 10.428 17.690 32.348 1.00 17.26 C ATOM 1149 O ASP A 126 11.033 17.399 33.381 1.00 17.36 O ATOM 1150 CB ASP A 126 8.750 19.535 32.373 1.00 19.15 C ATOM 1151 CG ASP A 126 7.329 19.939 32.043 1.00 20.66 C ATOM 1152 OD1 ASP A 126 6.552 19.100 31.548 1.00 21.23 O ATOM 1153 OD2 ASP A 126 6.980 21.109 32.276 1.00 22.26 O ATOM 1154 H ASP A 126 8.192 17.936 34.397 1.00 0.00 H ATOM 1155 N THR A 127 10.997 17.735 31.153 1.00 16.97 N ATOM 1156 CA THR A 127 12.418 17.488 30.962 1.00 16.98 C ATOM 1157 C THR A 127 13.268 18.414 31.833 1.00 17.37 C ATOM 1158 O THR A 127 14.240 17.975 32.430 1.00 16.51 O ATOM 1159 CB THR A 127 12.802 17.623 29.478 1.00 16.92 C ATOM 1160 OG1 THR A 127 12.194 16.551 28.749 1.00 16.95 O ATOM 1161 CG2 THR A 127 14.317 17.578 29.284 1.00 16.91 C ATOM 1162 HG1 THR A 127 12.434 16.627 27.792 1.00 0.00 H ATOM 1163 H THR A 127 10.409 17.954 30.324 1.00 0.00 H ATOM 1164 N LYS A 128 12.885 19.682 31.941 1.00 17.89 N ATOM 1165 CA LYS A 128 13.647 20.611 32.771 1.00 19.31 C ATOM 1166 C LYS A 128 13.754 20.139 34.223 1.00 18.55 C ATOM 1167 O LYS A 128 14.820 20.235 34.828 1.00 18.29 O ATOM 1168 CB LYS A 128 13.047 22.014 32.732 1.00 21.07 C ATOM 1169 CG LYS A 128 13.940 23.037 33.414 1.00 23.71 C ATOM 1170 CD LYS A 128 13.432 24.457 33.268 1.00 25.81 C ATOM 1171 CE LYS A 128 14.503 25.455 33.690 1.00 27.15 C ATOM 1172 NZ LYS A 128 15.039 25.195 35.058 1.00 28.23 N ATOM 1173 HZ1 LYS A 128 14.264 25.252 35.749 1.00 0.00 H ATOM 1174 HZ2 LYS A 128 15.463 24.246 35.088 1.00 0.00 H ATOM 1175 HZ3 LYS A 128 15.762 25.906 35.287 1.00 0.00 H ATOM 1176 H LYS A 128 12.040 20.014 31.433 1.00 0.00 H ATOM 1177 N GLN A 129 12.656 19.622 34.775 1.00 18.00 N ATOM 1178 CA GLN A 129 12.656 19.105 36.143 1.00 17.76 C ATOM 1179 C GLN A 129 13.626 17.945 36.287 1.00 16.64 C ATOM 1180 O GLN A 129 14.356 17.857 37.270 1.00 15.99 O ATOM 1181 CB GLN A 129 11.268 18.605 36.553 1.00 18.65 C ATOM 1182 CG GLN A 129 10.200 19.675 36.643 1.00 19.75 C ATOM 1183 CD GLN A 129 8.826 19.079 36.863 1.00 20.39 C ATOM 1184 OE1 GLN A 129 8.032 18.977 35.934 1.00 20.46 O ATOM 1185 NE2 GLN A 129 8.551 18.656 38.093 1.00 20.84 N ATOM 1186 HE22 GLN A 129 9.256 18.764 38.850 1.00 0.00 H ATOM 1187 HE21 GLN A 129 7.631 18.217 38.298 1.00 0.00 H ATOM 1188 H GLN A 129 11.778 19.585 34.219 1.00 0.00 H ATOM 1189 N ALA A 130 13.589 17.040 35.313 1.00 16.27 N ATOM 1190 CA ALA A 130 14.444 15.860 35.321 1.00 16.17 C ATOM 1191 C ALA A 130 15.910 16.237 35.140 1.00 16.43 C ATOM 1192 O ALA A 130 16.774 15.684 35.816 1.00 16.53 O ATOM 1193 CB ALA A 130 14.013 14.885 34.241 1.00 16.03 C ATOM 1194 H ALA A 130 12.929 17.179 34.521 1.00 0.00 H ATOM 1195 N GLN A 131 16.183 17.184 34.239 1.00 17.10 N ATOM 1196 CA GLN A 131 17.548 17.681 34.039 1.00 17.30 C ATOM 1197 C GLN A 131 18.095 18.317 35.315 1.00 17.14 C ATOM 1198 O GLN A 131 19.259 18.121 35.669 1.00 16.68 O ATOM 1199 CB GLN A 131 17.604 18.714 32.912 1.00 18.57 C ATOM 1200 CG GLN A 131 17.371 18.156 31.519 1.00 19.87 C ATOM 1201 CD GLN A 131 17.278 19.252 30.467 1.00 21.75 C ATOM 1202 OE1 GLN A 131 16.928 20.390 30.773 1.00 25.00 O ATOM 1203 NE2 GLN A 131 17.594 18.917 29.233 1.00 23.72 N ATOM 1204 HE22 GLN A 131 17.885 17.942 29.017 1.00 0.00 H ATOM 1205 HE21 GLN A 131 17.552 19.627 28.474 1.00 0.00 H ATOM 1206 H GLN A 131 15.410 17.578 33.666 1.00 0.00 H ATOM 1207 N ASP A 132 17.259 19.091 35.997 1.00 17.14 N ATOM 1208 CA ASP A 132 17.662 19.713 37.253 1.00 17.64 C ATOM 1209 C ASP A 132 17.949 18.663 38.343 1.00 16.83 C ATOM 1210 O ASP A 132 18.890 18.808 39.113 1.00 16.19 O ATOM 1211 CB ASP A 132 16.617 20.734 37.721 1.00 18.91 C ATOM 1212 CG ASP A 132 16.626 22.022 36.889 1.00 20.61 C ATOM 1213 OD1 ASP A 132 17.518 22.205 36.028 1.00 22.23 O ATOM 1214 OD2 ASP A 132 15.725 22.861 37.101 1.00 22.58 O ATOM 1215 H ASP A 132 16.300 19.256 35.629 1.00 0.00 H ATOM 1216 N LEU A 133 17.152 17.599 38.400 1.00 15.74 N ATOM 1217 CA LEU A 133 17.406 16.510 39.346 1.00 15.93 C ATOM 1218 C LEU A 133 18.709 15.800 39.009 1.00 16.02 C ATOM 1219 O LEU A 133 19.536 15.559 39.887 1.00 15.70 O ATOM 1220 CB LEU A 133 16.247 15.505 39.372 1.00 15.95 C ATOM 1221 CG LEU A 133 16.363 14.350 40.383 1.00 16.08 C ATOM 1222 CD1 LEU A 133 16.509 14.854 41.812 1.00 16.36 C ATOM 1223 CD2 LEU A 133 15.167 13.409 40.254 1.00 16.25 C ATOM 1224 H LEU A 133 16.334 17.540 37.761 1.00 0.00 H ATOM 1225 N ALA A 134 18.884 15.463 37.737 1.00 15.98 N ATOM 1226 CA ALA A 134 20.117 14.813 37.294 1.00 16.24 C ATOM 1227 C ALA A 134 21.338 15.692 37.606 1.00 17.05 C ATOM 1228 O ALA A 134 22.356 15.185 38.067 1.00 17.30 O ATOM 1229 CB ALA A 134 20.043 14.501 35.811 1.00 16.22 C ATOM 1230 H ALA A 134 18.134 15.664 37.046 1.00 0.00 H ATOM 1231 N ARG A 135 21.214 16.997 37.373 1.00 18.03 N ATOM 1232 CA ARG A 135 22.294 17.946 37.666 1.00 18.90 C ATOM 1233 C ARG A 135 22.654 17.921 39.149 1.00 19.00 C ATOM 1234 O ARG A 135 23.836 17.940 39.508 1.00 19.15 O ATOM 1235 CB ARG A 135 21.896 19.368 37.247 1.00 19.70 C ATOM 1236 CG ARG A 135 22.979 20.427 37.439 1.00 20.40 C ATOM 1237 CD ARG A 135 22.481 21.832 37.121 1.00 21.12 C ATOM 1238 NE ARG A 135 22.456 22.132 35.693 1.00 21.60 N ATOM 1239 CZ ARG A 135 21.364 22.125 34.938 1.00 22.04 C ATOM 1240 NH1 ARG A 135 20.186 21.818 35.462 1.00 22.71 N ATOM 1241 NH2 ARG A 135 21.456 22.420 33.648 1.00 22.25 N ATOM 1242 HE ARG A 135 23.359 22.368 35.234 1.00 0.00 H ATOM 1243 HH12 ARG A 135 19.336 21.815 34.863 1.00 0.00 H ATOM 1244 HH11 ARG A 135 20.112 21.580 36.472 1.00 0.00 H ATOM 1245 HH22 ARG A 135 20.604 22.416 33.052 1.00 0.00 H ATOM 1246 HH21 ARG A 135 22.380 22.655 33.233 1.00 0.00 H ATOM 1247 H ARG A 135 20.324 17.355 36.971 1.00 0.00 H ATOM 1248 N SER A 136 21.641 17.865 40.012 1.00 19.19 N ATOM 1249 CA SER A 136 21.869 17.843 41.464 1.00 19.77 C ATOM 1250 C SER A 136 22.630 16.596 41.925 1.00 20.32 C ATOM 1251 O SER A 136 23.308 16.623 42.954 1.00 21.80 O ATOM 1252 CB SER A 136 20.548 17.988 42.236 1.00 19.92 C ATOM 1253 OG SER A 136 19.817 16.774 42.292 1.00 20.03 O ATOM 1254 HG SER A 136 19.603 16.476 41.372 1.00 0.00 H ATOM 1255 H SER A 136 20.666 17.836 39.650 1.00 0.00 H ATOM 1256 N TYR A 137 22.510 15.506 41.169 1.00 20.23 N ATOM 1257 CA TYR A 137 23.229 14.265 41.452 1.00 21.00 C ATOM 1258 C TYR A 137 24.544 14.129 40.688 1.00 20.99 C ATOM 1259 O TYR A 137 25.312 13.197 40.948 1.00 22.35 O ATOM 1260 CB TYR A 137 22.360 13.057 41.095 1.00 21.17 C ATOM 1261 CG TYR A 137 21.076 12.908 41.869 1.00 21.91 C ATOM 1262 CD1 TYR A 137 20.925 13.449 43.148 1.00 22.32 C ATOM 1263 CD2 TYR A 137 20.020 12.174 41.339 1.00 22.43 C ATOM 1264 CE1 TYR A 137 19.749 13.283 43.858 1.00 22.67 C ATOM 1265 CE2 TYR A 137 18.846 12.001 42.043 1.00 22.97 C ATOM 1266 CZ TYR A 137 18.718 12.556 43.299 1.00 22.81 C ATOM 1267 OH TYR A 137 17.554 12.372 43.993 1.00 23.68 O ATOM 1268 HH TYR A 137 17.618 12.828 44.869 1.00 0.00 H ATOM 1269 H TYR A 137 21.879 15.539 40.343 1.00 0.00 H ATOM 1270 N GLY A 138 24.788 15.024 39.735 1.00 20.36 N ATOM 1271 CA GLY A 138 25.961 14.934 38.870 1.00 19.99 C ATOM 1272 C GLY A 138 25.918 13.750 37.924 1.00 19.37 C ATOM 1273 O GLY A 138 26.954 13.137 37.638 1.00 19.71 O ATOM 1274 H GLY A 138 24.123 15.812 39.602 1.00 0.00 H ATOM 1275 N ILE A 139 24.725 13.427 37.429 1.00 17.75 N ATOM 1276 CA ILE A 139 24.542 12.305 36.508 1.00 16.86 C ATOM 1277 C ILE A 139 23.805 12.761 35.246 1.00 16.24 C ATOM 1278 O ILE A 139 23.145 13.801 35.251 1.00 16.10 O ATOM 1279 CB ILE A 139 23.782 11.126 37.170 1.00 16.66 C ATOM 1280 CG1 ILE A 139 22.316 11.487 37.453 1.00 16.62 C ATOM 1281 CG2 ILE A 139 24.493 10.675 38.442 1.00 16.82 C ATOM 1282 CD1 ILE A 139 21.523 10.372 38.103 1.00 16.70 C ATOM 1283 H ILE A 139 23.896 13.991 37.706 1.00 0.00 H ATOM 1284 N PRO A 140 23.905 11.990 34.152 1.00 15.61 N ATOM 1285 CA PRO A 140 23.150 12.326 32.942 1.00 15.67 C ATOM 1286 C PRO A 140 21.662 12.024 33.057 1.00 15.60 C ATOM 1287 O PRO A 140 21.259 11.133 33.817 1.00 15.39 O ATOM 1288 CB PRO A 140 23.749 11.410 31.869 1.00 15.89 C ATOM 1289 CG PRO A 140 24.991 10.853 32.461 1.00 15.86 C ATOM 1290 CD PRO A 140 24.790 10.836 33.935 1.00 15.74 C ATOM 1291 N PHE A 141 20.869 12.766 32.292 1.00 15.38 N ATOM 1292 CA PHE A 141 19.466 12.442 32.062 1.00 15.38 C ATOM 1293 C PHE A 141 19.248 12.010 30.614 1.00 15.35 C ATOM 1294 O PHE A 141 19.702 12.685 29.685 1.00 16.01 O ATOM 1295 CB PHE A 141 18.576 13.643 32.355 1.00 15.38 C ATOM 1296 CG PHE A 141 17.150 13.450 31.921 1.00 15.30 C ATOM 1297 CD1 PHE A 141 16.342 12.530 32.570 1.00 15.49 C ATOM 1298 CD2 PHE A 141 16.620 14.157 30.846 1.00 15.87 C ATOM 1299 CE1 PHE A 141 15.031 12.335 32.172 1.00 15.59 C ATOM 1300 CE2 PHE A 141 15.306 13.971 30.449 1.00 16.03 C ATOM 1301 CZ PHE A 141 14.514 13.052 31.110 1.00 16.06 C ATOM 1302 H PHE A 141 21.265 13.614 31.838 1.00 0.00 H ATOM 1303 N ILE A 142 18.521 10.908 30.429 1.00 15.36 N ATOM 1304 CA ILE A 142 18.143 10.427 29.102 1.00 15.51 C ATOM 1305 C ILE A 142 16.642 10.176 29.046 1.00 15.86 C ATOM 1306 O ILE A 142 16.094 9.480 29.906 1.00 15.86 O ATOM 1307 CB ILE A 142 18.854 9.103 28.761 1.00 15.80 C ATOM 1308 CG1 ILE A 142 20.375 9.266 28.871 1.00 16.42 C ATOM 1309 CG2 ILE A 142 18.432 8.590 27.382 1.00 16.14 C ATOM 1310 CD1 ILE A 142 20.998 10.134 27.805 1.00 16.43 C ATOM 1311 H ILE A 142 18.210 10.369 31.262 1.00 0.00 H ATOM 1312 N GLU A 143 15.982 10.754 28.042 1.00 15.78 N ATOM 1313 CA GLU A 143 14.563 10.512 27.816 1.00 16.74 C ATOM 1314 C GLU A 143 14.384 9.336 26.875 1.00 16.48 C ATOM 1315 O GLU A 143 15.043 9.262 25.838 1.00 17.10 O ATOM 1316 CB GLU A 143 13.888 11.744 27.223 1.00 18.36 C ATOM 1317 CG GLU A 143 12.413 11.524 26.948 1.00 19.92 C ATOM 1318 CD GLU A 143 11.712 12.773 26.467 1.00 21.43 C ATOM 1319 OE1 GLU A 143 11.959 13.189 25.320 1.00 25.06 O ATOM 1320 OE2 GLU A 143 10.880 13.297 27.221 1.00 23.15 O ATOM 1321 H GLU A 143 16.494 11.395 27.403 1.00 0.00 H ATOM 1322 N THR A 144 13.469 8.436 27.227 1.00 15.64 N ATOM 1323 CA THR A 144 13.220 7.242 26.434 1.00 15.40 C ATOM 1324 C THR A 144 11.751 7.007 26.146 1.00 15.26 C ATOM 1325 O THR A 144 10.864 7.515 26.839 1.00 15.12 O ATOM 1326 CB THR A 144 13.746 5.972 27.150 1.00 15.10 C ATOM 1327 OG1 THR A 144 13.042 5.770 28.384 1.00 15.31 O ATOM 1328 CG2 THR A 144 15.234 6.090 27.440 1.00 15.28 C ATOM 1329 HG1 THR A 144 12.076 5.660 28.197 1.00 0.00 H ATOM 1330 H THR A 144 12.916 8.591 28.094 1.00 0.00 H ATOM 1331 N SER A 145 11.506 6.223 25.105 1.00 15.34 N ATOM 1332 CA SER A 145 10.232 5.535 24.935 1.00 15.63 C ATOM 1333 C SER A 145 10.539 4.090 24.589 1.00 16.13 C ATOM 1334 O SER A 145 11.092 3.813 23.527 1.00 16.09 O ATOM 1335 CB SER A 145 9.388 6.162 23.834 1.00 15.81 C ATOM 1336 OG SER A 145 8.285 5.323 23.520 1.00 15.69 O ATOM 1337 HG SER A 145 7.725 5.200 24.327 1.00 0.00 H ATOM 1338 H SER A 145 12.247 6.095 24.386 1.00 0.00 H ATOM 1339 N ALA A 146 10.176 3.169 25.477 1.00 16.34 N ATOM 1340 CA ALA A 146 10.300 1.743 25.181 1.00 17.41 C ATOM 1341 C ALA A 146 9.363 1.356 24.033 1.00 18.28 C ATOM 1342 O ALA A 146 9.648 0.417 23.290 1.00 19.04 O ATOM 1343 CB ALA A 146 9.999 0.899 26.416 1.00 17.32 C ATOM 1344 H ALA A 146 9.797 3.469 26.398 1.00 0.00 H ATOM 1345 N LYS A 147 8.256 2.082 23.889 1.00 18.77 N ATOM 1346 CA LYS A 147 7.279 1.784 22.845 1.00 20.24 C ATOM 1347 C LYS A 147 7.840 2.058 21.454 1.00 20.31 C ATOM 1348 O LYS A 147 7.755 1.195 20.575 1.00 21.07 O ATOM 1349 CB LYS A 147 5.988 2.577 23.068 1.00 21.35 C ATOM 1350 CG LYS A 147 4.884 2.231 22.083 1.00 22.96 C ATOM 1351 CD LYS A 147 3.549 2.785 22.542 1.00 24.69 C ATOM 1352 CE LYS A 147 2.447 2.485 21.539 1.00 26.40 C ATOM 1353 NZ LYS A 147 1.127 2.970 22.023 1.00 27.93 N ATOM 1354 HZ1 LYS A 147 0.894 2.500 22.921 1.00 0.00 H ATOM 1355 HZ2 LYS A 147 1.170 3.999 22.170 1.00 0.00 H ATOM 1356 HZ3 LYS A 147 0.397 2.750 21.315 1.00 0.00 H ATOM 1357 H LYS A 147 8.083 2.879 24.534 1.00 0.00 H ATOM 1358 N THR A 148 8.422 3.240 21.257 1.00 20.55 N ATOM 1359 CA THR A 148 8.979 3.621 19.957 1.00 21.26 C ATOM 1360 C THR A 148 10.465 3.262 19.820 1.00 21.30 C ATOM 1361 O THR A 148 11.046 3.384 18.734 1.00 22.62 O ATOM 1362 CB THR A 148 8.839 5.138 19.708 1.00 21.32 C ATOM 1363 OG1 THR A 148 9.731 5.855 20.571 1.00 21.84 O ATOM 1364 CG2 THR A 148 7.406 5.603 19.931 1.00 21.91 C ATOM 1365 HG1 THR A 148 9.507 5.655 21.514 1.00 0.00 H ATOM 1366 H THR A 148 8.483 3.911 22.049 1.00 0.00 H ATOM 1367 N ARG A 149 11.070 2.847 20.933 1.00 21.06 N ATOM 1368 CA ARG A 149 12.505 2.545 21.053 1.00 21.84 C ATOM 1369 C ARG A 149 13.424 3.778 21.088 1.00 21.50 C ATOM 1370 O ARG A 149 14.649 3.648 21.192 1.00 22.64 O ATOM 1371 CB ARG A 149 12.977 1.538 19.996 1.00 23.35 C ATOM 1372 CG ARG A 149 14.085 0.637 20.515 1.00 24.85 C ATOM 1373 CD ARG A 149 14.453 -0.467 19.543 1.00 26.56 C ATOM 1374 NE ARG A 149 15.397 -1.406 20.151 1.00 28.22 N ATOM 1375 CZ ARG A 149 16.694 -1.161 20.335 1.00 28.98 C ATOM 1376 NH1 ARG A 149 17.229 0.001 19.971 1.00 30.19 N ATOM 1377 NH2 ARG A 149 17.468 -2.084 20.894 1.00 29.42 N ATOM 1378 HE ARG A 149 15.030 -2.328 20.461 1.00 0.00 H ATOM 1379 HH12 ARG A 149 18.243 0.176 20.122 1.00 0.00 H ATOM 1380 HH11 ARG A 149 16.633 0.734 19.536 1.00 0.00 H ATOM 1381 HH22 ARG A 149 18.480 -1.895 21.039 1.00 0.00 H ATOM 1382 HH21 ARG A 149 17.062 -2.995 21.187 1.00 0.00 H ATOM 1383 H ARG A 149 10.482 2.727 21.782 1.00 0.00 H ATOM 1384 N GLN A 150 12.826 4.962 21.075 1.00 20.89 N ATOM 1385 CA GLN A 150 13.651 6.194 21.098 1.00 21.05 C ATOM 1386 C GLN A 150 14.433 6.289 22.415 1.00 19.30 C ATOM 1387 O GLN A 150 13.814 6.168 23.477 1.00 18.53 O ATOM 1388 CB GLN A 150 12.754 7.416 20.907 1.00 23.64 C ATOM 1389 CG GLN A 150 13.526 8.686 20.591 1.00 26.54 C ATOM 1390 CD GLN A 150 12.588 9.847 20.383 1.00 28.86 C ATOM 1391 OE1 GLN A 150 11.422 9.669 20.039 1.00 33.06 O ATOM 1392 NE2 GLN A 150 13.093 11.049 20.601 1.00 30.39 N ATOM 1393 HE22 GLN A 150 14.087 11.151 20.891 1.00 0.00 H ATOM 1394 HE21 GLN A 150 12.497 11.893 20.482 1.00 0.00 H ATOM 1395 H GLN A 150 11.788 5.026 21.049 1.00 0.00 H ATOM 1396 N GLY A 151 15.753 6.464 22.328 1.00 17.96 N ATOM 1397 CA GLY A 151 16.595 6.673 23.501 1.00 17.63 C ATOM 1398 C GLY A 151 16.990 5.434 24.287 1.00 17.44 C ATOM 1399 O GLY A 151 17.748 5.541 25.255 1.00 17.39 O ATOM 1400 H GLY A 151 16.199 6.451 21.388 1.00 0.00 H ATOM 1401 N VAL A 152 16.483 4.261 23.894 1.00 17.62 N ATOM 1402 CA VAL A 152 16.683 3.050 24.695 1.00 17.96 C ATOM 1403 C VAL A 152 18.159 2.651 24.733 1.00 18.50 C ATOM 1404 O VAL A 152 18.734 2.489 25.814 1.00 17.94 O ATOM 1405 CB VAL A 152 15.809 1.875 24.192 1.00 18.22 C ATOM 1406 CG1 VAL A 152 16.167 0.583 24.917 1.00 18.82 C ATOM 1407 CG2 VAL A 152 14.334 2.203 24.371 1.00 18.03 C ATOM 1408 H VAL A 152 15.940 4.207 23.009 1.00 0.00 H ATOM 1409 N ASP A 153 18.770 2.513 23.561 1.00 19.22 N ATOM 1410 CA ASP A 153 20.206 2.238 23.484 1.00 20.49 C ATOM 1411 C ASP A 153 21.002 3.329 24.201 1.00 19.80 C ATOM 1412 O ASP A 153 21.941 3.040 24.934 1.00 19.52 O ATOM 1413 CB ASP A 153 20.665 2.139 22.028 1.00 22.05 C ATOM 1414 CG ASP A 153 20.075 0.944 21.292 1.00 24.42 C ATOM 1415 OD1 ASP A 153 19.828 -0.114 21.906 1.00 26.29 O ATOM 1416 OD2 ASP A 153 19.863 1.059 20.068 1.00 27.91 O ATOM 1417 H ASP A 153 18.219 2.602 22.684 1.00 0.00 H ATOM 1418 N ASP A 154 20.617 4.583 23.985 1.00 19.20 N ATOM 1419 CA ASP A 154 21.281 5.721 24.639 1.00 19.46 C ATOM 1420 C ASP A 154 21.335 5.608 26.153 1.00 18.24 C ATOM 1421 O ASP A 154 22.363 5.904 26.758 1.00 18.38 O ATOM 1422 CB ASP A 154 20.582 7.024 24.263 1.00 20.56 C ATOM 1423 CG ASP A 154 20.919 7.485 22.852 1.00 22.35 C ATOM 1424 OD1 ASP A 154 21.915 7.004 22.267 1.00 24.65 O ATOM 1425 OD2 ASP A 154 20.186 8.341 22.325 1.00 24.75 O ATOM 1426 H ASP A 154 19.825 4.764 23.336 1.00 0.00 H ATOM 1427 N ALA A 155 20.226 5.203 26.764 1.00 17.26 N ATOM 1428 CA ALA A 155 20.179 5.076 28.219 1.00 16.66 C ATOM 1429 C ALA A 155 21.205 4.065 28.722 1.00 16.38 C ATOM 1430 O ALA A 155 22.002 4.367 29.611 1.00 16.22 O ATOM 1431 CB ALA A 155 18.791 4.683 28.663 1.00 16.79 C ATOM 1432 H ALA A 155 19.383 4.974 26.200 1.00 0.00 H ATOM 1433 N PHE A 156 21.202 2.877 28.131 1.00 16.28 N ATOM 1434 CA PHE A 156 22.127 1.830 28.538 1.00 16.67 C ATOM 1435 C PHE A 156 23.584 2.156 28.197 1.00 17.14 C ATOM 1436 O PHE A 156 24.488 1.926 29.007 1.00 16.85 O ATOM 1437 CB PHE A 156 21.714 0.493 27.921 1.00 16.78 C ATOM 1438 CG PHE A 156 20.502 -0.113 28.560 1.00 16.69 C ATOM 1439 CD1 PHE A 156 20.634 -0.897 29.693 1.00 16.89 C ATOM 1440 CD2 PHE A 156 19.229 0.108 28.036 1.00 16.98 C ATOM 1441 CE1 PHE A 156 19.521 -1.461 30.292 1.00 16.93 C ATOM 1442 CE2 PHE A 156 18.110 -0.458 28.628 1.00 17.03 C ATOM 1443 CZ PHE A 156 18.261 -1.242 29.765 1.00 17.08 C ATOM 1444 H PHE A 156 20.526 2.691 27.363 1.00 0.00 H ATOM 1445 N TYR A 157 23.807 2.689 27.001 1.00 17.71 N ATOM 1446 CA TYR A 157 25.162 3.050 26.570 1.00 18.27 C ATOM 1447 C TYR A 157 25.740 4.180 27.412 1.00 17.56 C ATOM 1448 O TYR A 157 26.926 4.184 27.749 1.00 17.74 O ATOM 1449 CB TYR A 157 25.165 3.447 25.095 1.00 18.99 C ATOM 1450 CG TYR A 157 24.961 2.324 24.094 1.00 20.51 C ATOM 1451 CD1 TYR A 157 24.391 1.101 24.453 1.00 21.44 C ATOM 1452 CD2 TYR A 157 25.301 2.514 22.764 1.00 21.88 C ATOM 1453 CE1 TYR A 157 24.193 0.100 23.519 1.00 22.66 C ATOM 1454 CE2 TYR A 157 25.115 1.518 21.828 1.00 22.64 C ATOM 1455 CZ TYR A 157 24.558 0.317 22.210 1.00 23.29 C ATOM 1456 OH TYR A 157 24.372 -0.662 21.266 1.00 25.42 O ATOM 1457 HH TYR A 157 23.966 -1.458 21.693 1.00 0.00 H ATOM 1458 H TYR A 157 23.006 2.853 26.358 1.00 0.00 H ATOM 1459 N THR A 158 24.896 5.142 27.754 1.00 17.05 N ATOM 1460 CA THR A 158 25.328 6.240 28.605 1.00 16.35 C ATOM 1461 C THR A 158 25.757 5.720 29.984 1.00 16.14 C ATOM 1462 O THR A 158 26.730 6.196 30.567 1.00 16.24 O ATOM 1463 CB THR A 158 24.219 7.288 28.745 1.00 16.36 C ATOM 1464 OG1 THR A 158 23.954 7.869 27.467 1.00 16.57 O ATOM 1465 CG2 THR A 158 24.624 8.375 29.712 1.00 16.31 C ATOM 1466 HG1 THR A 158 23.665 7.162 26.838 1.00 0.00 H ATOM 1467 H THR A 158 23.915 5.112 27.411 1.00 0.00 H ATOM 1468 N LEU A 159 25.034 4.727 30.493 1.00 15.90 N ATOM 1469 CA LEU A 159 25.388 4.125 31.771 1.00 16.13 C ATOM 1470 C LEU A 159 26.735 3.427 31.679 1.00 16.60 C ATOM 1471 O LEU A 159 27.562 3.569 32.574 1.00 16.74 O ATOM 1472 CB LEU A 159 24.310 3.153 32.242 1.00 16.27 C ATOM 1473 CG LEU A 159 24.578 2.521 33.605 1.00 16.51 C ATOM 1474 CD1 LEU A 159 24.831 3.565 34.684 1.00 16.66 C ATOM 1475 CD2 LEU A 159 23.414 1.617 33.969 1.00 16.82 C ATOM 1476 H LEU A 159 24.205 4.376 29.972 1.00 0.00 H ATOM 1477 N VAL A 160 26.960 2.696 30.593 1.00 16.82 N ATOM 1478 CA VAL A 160 28.260 2.056 30.381 1.00 17.40 C ATOM 1479 C VAL A 160 29.367 3.109 30.377 1.00 18.12 C ATOM 1480 O VAL A 160 30.416 2.906 30.983 1.00 18.63 O ATOM 1481 CB VAL A 160 28.280 1.219 29.085 1.00 17.29 C ATOM 1482 CG1 VAL A 160 29.693 0.778 28.738 1.00 17.57 C ATOM 1483 CG2 VAL A 160 27.367 0.004 29.213 1.00 17.53 C ATOM 1484 H VAL A 160 26.206 2.577 29.887 1.00 0.00 H ATOM 1485 N ARG A 161 29.130 4.232 29.707 1.00 19.02 N ATOM 1486 CA ARG A 161 30.109 5.328 29.680 1.00 19.75 C ATOM 1487 C ARG A 161 30.378 5.901 31.072 1.00 20.28 C ATOM 1488 O ARG A 161 31.517 6.248 31.396 1.00 20.08 O ATOM 1489 CB ARG A 161 29.655 6.439 28.735 1.00 21.08 C ATOM 1490 CG ARG A 161 29.690 6.052 27.270 1.00 21.92 C ATOM 1491 CD ARG A 161 29.411 7.250 26.383 1.00 23.52 C ATOM 1492 NE ARG A 161 29.417 6.865 24.973 1.00 24.42 N ATOM 1493 CZ ARG A 161 28.335 6.658 24.220 1.00 24.94 C ATOM 1494 NH1 ARG A 161 27.106 6.824 24.698 1.00 25.77 N ATOM 1495 NH2 ARG A 161 28.492 6.299 22.953 1.00 25.67 N ATOM 1496 HE ARG A 161 30.344 6.742 24.518 1.00 0.00 H ATOM 1497 HH12 ARG A 161 26.283 6.655 24.086 1.00 0.00 H ATOM 1498 HH11 ARG A 161 26.968 7.123 25.684 1.00 0.00 H ATOM 1499 HH22 ARG A 161 27.659 6.134 22.352 1.00 0.00 H ATOM 1500 HH21 ARG A 161 29.448 6.183 22.560 1.00 0.00 H ATOM 1501 H ARG A 161 28.233 4.338 29.191 1.00 0.00 H ATOM 1502 N GLU A 162 29.334 6.005 31.888 1.00 20.40 N ATOM 1503 CA GLU A 162 29.492 6.460 33.266 1.00 21.13 C ATOM 1504 C GLU A 162 30.305 5.474 34.092 1.00 21.46 C ATOM 1505 O GLU A 162 31.110 5.883 34.928 1.00 22.32 O ATOM 1506 CB GLU A 162 28.134 6.707 33.927 1.00 21.94 C ATOM 1507 CG GLU A 162 27.394 7.909 33.370 1.00 22.45 C ATOM 1508 CD GLU A 162 28.099 9.231 33.656 1.00 22.91 C ATOM 1509 OE1 GLU A 162 28.343 9.555 34.831 1.00 24.12 O ATOM 1510 OE2 GLU A 162 28.428 9.952 32.697 1.00 24.40 O ATOM 1511 H GLU A 162 28.386 5.757 31.538 1.00 0.00 H ATOM 1512 N ILE A 163 30.104 4.180 33.857 1.00 21.47 N ATOM 1513 CA ILE A 163 30.862 3.161 34.576 1.00 22.26 C ATOM 1514 C ILE A 163 32.332 3.238 34.173 1.00 23.89 C ATOM 1515 O ILE A 163 33.212 3.133 35.024 1.00 24.14 O ATOM 1516 CB ILE A 163 30.310 1.743 34.330 1.00 21.84 C ATOM 1517 CG1 ILE A 163 28.911 1.593 34.944 1.00 21.75 C ATOM 1518 CG2 ILE A 163 31.237 0.697 34.935 1.00 21.81 C ATOM 1519 CD1 ILE A 163 28.124 0.412 34.414 1.00 21.57 C ATOM 1520 H ILE A 163 29.397 3.891 33.151 1.00 0.00 H ATOM 1521 N ARG A 164 32.589 3.421 32.879 1.00 25.15 N ATOM 1522 CA ARG A 164 33.960 3.511 32.369 1.00 26.63 C ATOM 1523 C ARG A 164 34.707 4.700 32.960 1.00 28.46 C ATOM 1524 O ARG A 164 35.868 4.575 33.344 1.00 29.67 O ATOM 1525 CB ARG A 164 33.965 3.595 30.839 1.00 26.73 C ATOM 1526 CG ARG A 164 33.677 2.275 30.155 1.00 27.80 C ATOM 1527 CD ARG A 164 33.536 2.437 28.650 1.00 28.38 C ATOM 1528 NE ARG A 164 33.230 1.168 27.999 1.00 29.81 N ATOM 1529 CZ ARG A 164 32.999 1.020 26.697 1.00 29.77 C ATOM 1530 NH1 ARG A 164 33.051 2.062 25.873 1.00 29.54 N ATOM 1531 NH2 ARG A 164 32.724 -0.187 26.211 1.00 30.90 N ATOM 1532 HE ARG A 164 33.189 0.317 28.596 1.00 0.00 H ATOM 1533 HH12 ARG A 164 32.868 1.932 24.858 1.00 0.00 H ATOM 1534 HH11 ARG A 164 33.274 3.008 26.244 1.00 0.00 H ATOM 1535 HH22 ARG A 164 32.543 -0.309 25.194 1.00 0.00 H ATOM 1536 HH21 ARG A 164 32.690 -1.009 26.848 1.00 0.00 H ATOM 1537 H ARG A 164 31.795 3.502 32.212 1.00 0.00 H ATOM 1538 N LYS A 165 34.037 5.847 33.032 1.00 30.44 N ATOM 1539 CA LYS A 165 34.608 7.039 33.660 1.00 33.13 C ATOM 1540 C LYS A 165 34.948 6.794 35.129 1.00 34.74 C ATOM 1541 O LYS A 165 35.981 7.252 35.614 1.00 35.52 O ATOM 1542 CB LYS A 165 33.651 8.223 33.540 1.00 33.98 C ATOM 1543 CG LYS A 165 33.602 8.843 32.156 1.00 35.34 C ATOM 1544 CD LYS A 165 32.772 10.110 32.189 1.00 36.49 C ATOM 1545 CE LYS A 165 31.923 10.239 30.937 1.00 37.28 C ATOM 1546 NZ LYS A 165 32.690 10.168 29.661 1.00 38.19 N ATOM 1547 HZ1 LYS A 165 33.389 10.938 29.635 1.00 0.00 H ATOM 1548 HZ2 LYS A 165 33.179 9.252 29.603 1.00 0.00 H ATOM 1549 HZ3 LYS A 165 32.035 10.264 28.859 1.00 0.00 H ATOM 1550 H LYS A 165 33.079 5.898 32.630 1.00 0.00 H ATOM 1551 N HIS A 166 34.084 6.057 35.822 1.00 36.08 N ATOM 1552 CA HIS A 166 34.310 5.703 37.223 1.00 37.59 C ATOM 1553 C HIS A 166 35.475 4.724 37.374 1.00 39.19 C ATOM 1554 O HIS A 166 36.349 4.921 38.219 1.00 39.54 O ATOM 1555 CB HIS A 166 33.035 5.108 37.832 1.00 37.49 C ATOM 1556 CG HIS A 166 33.167 4.734 39.276 1.00 37.47 C ATOM 1557 ND1 HIS A 166 33.247 3.425 39.700 1.00 37.67 N ATOM 1558 CD2 HIS A 166 33.233 5.497 40.393 1.00 37.34 C ATOM 1559 CE1 HIS A 166 33.357 3.397 41.016 1.00 37.60 C ATOM 1560 NE2 HIS A 166 33.350 4.641 41.461 1.00 37.72 N ATOM 1561 H HIS A 166 33.219 5.721 35.352 1.00 0.00 H ATOM 1562 N LYS A 167 35.484 3.673 36.554 1.00 40.88 N ATOM 1563 CA LYS A 167 36.553 2.674 36.587 1.00 42.66 C ATOM 1564 C LYS A 167 37.873 3.268 36.117 1.00 43.75 C ATOM 1565 O LYS A 167 38.931 2.916 36.633 1.00 46.01 O ATOM 1566 CB LYS A 167 36.196 1.462 35.719 1.00 43.37 C ATOM 1567 CG LYS A 167 35.120 0.570 36.313 1.00 43.98 C ATOM 1568 CD LYS A 167 34.607 -0.444 35.300 1.00 44.65 C ATOM 1569 CE LYS A 167 35.667 -1.461 34.912 1.00 45.23 C ATOM 1570 NZ LYS A 167 35.135 -2.418 33.904 1.00 45.65 N ATOM 1571 HZ1 LYS A 167 34.317 -2.921 34.303 1.00 0.00 H ATOM 1572 HZ2 LYS A 167 34.842 -1.896 33.053 1.00 0.00 H ATOM 1573 HZ3 LYS A 167 35.876 -3.103 33.654 1.00 0.00 H ATOM 1574 H LYS A 167 34.708 3.560 35.871 1.00 0.00 H TER 1575 LYS A 167 HETATM 1576 MG MG A 1 8.934 -5.456 35.117 1.00 16.84 MG HETATM 1577 O HOH 2 17.591 16.684 28.482 1.00 32.69 O HETATM 1578 O HOH 3 26.504 8.976 40.876 1.00 42.63 O HETATM 1579 O HOH 4 12.904 13.484 20.141 1.00 36.17 O HETATM 1580 O HOH 5 2.691 -9.001 26.680 1.00 26.33 O HETATM 1581 O HOH 6 10.890 -5.190 35.992 1.00 16.30 O HETATM 1582 O HOH 7 14.288 -4.474 47.659 1.00 42.58 O HETATM 1583 O HOH 8 -4.196 10.857 27.988 1.00 26.93 O HETATM 1584 O HOH 9 7.069 -5.714 34.041 1.00 16.14 O HETATM 1585 O HOH 10 8.800 -7.570 35.546 1.00 16.93 O HETATM 1586 O HOH 11 5.056 15.873 42.123 1.00 27.08 O HETATM 1587 O HOH 12 19.622 15.078 28.512 1.00 24.31 O HETATM 1588 O HOH 13 13.305 15.532 26.545 1.00 36.98 O HETATM 1589 O HOH 14 1.700 6.107 22.572 1.00 29.61 O HETATM 1590 O HOH 15 28.505 12.115 35.592 1.00 29.03 O HETATM 1591 O HOH 16 17.240 3.141 20.733 1.00 27.08 O HETATM 1592 O HOH 17 3.467 -4.750 33.187 1.00 22.41 O HETATM 1593 O HOH 18 11.310 14.121 29.756 1.00 20.92 O HETATM 1594 O HOH 19 2.446 9.556 20.624 1.00 23.57 O HETATM 1595 O HOH 20 17.126 -1.606 50.492 1.00 46.18 O HETATM 1596 O HOH 21 27.328 3.207 54.156 1.00 47.13 O HETATM 1597 O HOH 22 -1.134 -1.624 28.267 1.00 29.01 O HETATM 1598 O HOH 23 7.429 22.780 34.384 1.00 35.25 O HETATM 1599 O HOH 24 3.232 12.514 42.940 1.00 28.80 O HETATM 1600 O HOH 25 26.950 8.535 36.946 1.00 22.74 O HETATM 1601 O HOH 26 12.398 9.471 23.716 1.00 29.70 O HETATM 1602 O HOH 27 4.416 -3.289 35.782 1.00 20.31 O HETATM 1603 O HOH 28 6.086 17.203 38.138 1.00 25.16 O HETATM 1604 O HOH 29 7.226 14.045 25.079 1.00 20.54 O HETATM 1605 O HOH 30 13.250 -1.241 41.176 1.00 20.84 O HETATM 1606 O HOH 31 32.959 0.769 50.421 1.00 36.50 O HETATM 1607 O HOH 32 12.594 -9.397 34.072 1.00 26.02 O HETATM 1608 O HOH 33 15.188 8.660 50.655 1.00 33.06 O HETATM 1609 O HOH 34 3.219 5.595 34.003 1.00 17.38 O HETATM 1610 O HOH 35 0.478 7.977 35.968 1.00 28.38 O HETATM 1611 O HOH 36 2.436 17.941 36.558 1.00 24.80 O HETATM 1612 O HOH 37 7.985 -5.000 37.012 1.00 16.60 O HETATM 1613 O HOH 38 30.903 0.954 39.688 1.00 30.54 O HETATM 1614 O HOH 39 3.528 -6.286 23.022 1.00 30.46 O HETATM 1615 O HOH 40 22.084 -2.106 21.990 1.00 34.90 O HETATM 1616 O HOH 41 33.323 4.967 26.533 1.00 30.71 O HETATM 1617 O HOH 42 19.888 21.359 39.673 1.00 26.96 O HETATM 1618 O HOH 43 10.685 5.343 39.783 1.00 15.64 O HETATM 1619 O HOH 44 -4.749 11.528 30.764 1.00 29.90 O HETATM 1620 O HOH 45 27.259 8.724 43.550 1.00 46.44 O HETATM 1621 O HOH 46 18.729 16.510 44.891 1.00 25.50 O HETATM 1622 O HOH 47 9.767 -4.269 25.351 1.00 15.65 O HETATM 1623 O HOH 48 10.879 12.859 50.492 1.00 26.07 O HETATM 1624 O HOH 49 10.667 -13.306 24.090 1.00 36.84 O HETATM 1625 O HOH 50 17.369 12.443 26.234 1.00 30.54 O HETATM 1626 O HOH 51 1.416 12.092 37.423 1.00 18.02 O HETATM 1627 O HOH 52 26.191 18.948 38.286 1.00 25.71 O HETATM 1628 O HOH 53 4.488 18.480 33.395 1.00 19.37 O HETATM 1629 O HOH 54 5.638 -0.352 19.488 1.00 34.55 O HETATM 1630 O HOH 55 4.757 12.826 23.214 1.00 24.22 O HETATM 1631 O HOH 56 4.524 10.677 46.673 1.00 27.55 O HETATM 1632 O HOH 57 5.968 -4.218 29.682 1.00 18.36 O HETATM 1633 O HOH 58 13.780 19.075 39.785 1.00 21.37 O HETATM 1634 O HOH 59 13.071 12.320 43.395 1.00 21.75 O HETATM 1635 O HOH 60 2.640 16.614 26.215 1.00 27.21 O HETATM 1636 O HOH 61 8.437 2.659 44.332 1.00 27.51 O HETATM 1637 O HOH 62 21.402 17.784 33.760 1.00 22.07 O HETATM 1638 O HOH 63 -0.929 10.963 34.134 1.00 31.69 O HETATM 1639 O HOH 64 12.805 -13.581 31.892 1.00 40.30 O HETATM 1640 O HOH 65 7.979 -3.512 18.676 1.00 29.12 O HETATM 1641 O HOH 66 6.487 0.766 43.113 1.00 23.53 O HETATM 1642 O HOH 67 24.781 6.390 22.985 1.00 35.33 O HETATM 1643 O HOH 68 -0.920 16.405 31.105 1.00 27.96 O HETATM 1644 O HOH 69 17.154 6.758 19.779 1.00 30.81 O HETATM 1645 O HOH 70 18.945 5.248 21.680 1.00 26.09 O HETATM 1646 O HOH 71 4.699 14.488 26.358 1.00 21.49 O HETATM 1647 O HOH 72 12.532 25.685 36.511 1.00 36.41 O HETATM 1648 O HOH 73 30.342 2.430 43.182 1.00 41.75 O HETATM 1649 O HOH 74 11.273 -13.658 39.184 1.00 32.11 O HETATM 1650 O HOH 75 14.831 5.672 50.970 1.00 36.78 O HETATM 1651 O HOH 76 26.537 5.850 20.741 1.00 39.38 O HETATM 1652 O HOH 77 4.190 5.231 40.858 1.00 29.83 O HETATM 1653 O HOH 78 1.577 9.990 40.306 1.00 26.41 O HETATM 1654 O HOH 79 1.027 18.306 33.976 1.00 33.59 O HETATM 1655 O HOH 80 33.456 6.684 29.047 1.00 32.15 O HETATM 1656 O HOH 81 7.124 -10.863 23.918 1.00 35.07 O HETATM 1657 O HOH 82 -1.781 4.498 21.767 1.00 38.89 O HETATM 1658 O HOH 83 13.669 21.290 28.846 1.00 35.48 O HETATM 1659 O HOH 84 28.191 9.798 39.031 1.00 39.12 O HETATM 1660 O HOH 85 10.959 23.275 36.175 1.00 31.52 O HETATM 1661 O HOH 86 16.142 15.155 26.358 1.00 41.09 O HETATM 1662 C01 OJ A 1 5.728 -3.774 40.001 1.00 -0.05 C HETATM 1663 C02 OJ A 1 6.907 -4.623 40.426 1.00 0.03 C HETATM 1664 C03 OJ A 1 8.237 -3.878 40.354 1.00 0.18 C HETATM 1665 O04 OJ A 1 8.645 -3.452 39.319 1.00 -0.40 O HETATM 1666 N05 OJ A 1 9.008 -3.694 41.563 1.00 -0.27 N HETATM 1667 C06 OJ A 1 10.245 -3.027 41.523 1.00 0.06 C HETATM 1668 C07 OJ A 1 10.257 -1.942 42.570 1.00 0.06 C HETATM 1669 N08 OJ A 1 10.141 -2.577 43.922 1.00 -0.28 N HETATM 1670 C09 OJ A 1 8.765 -3.141 43.969 1.00 0.06 C HETATM 1671 C10 OJ A 1 8.613 -4.165 42.848 1.00 0.06 C HETATM 1672 H12 OJ A 1 9.229 -5.042 43.097 1.00 0.05 H HETATM 1673 H13 OJ A 1 7.555 -4.463 42.795 1.00 0.05 H HETATM 1674 H10 OJ A 1 8.030 -2.334 43.834 1.00 0.06 H HETATM 1675 H11 OJ A 1 8.599 -3.630 44.941 1.00 0.06 H HETATM 1676 C11 OJ A 1 10.661 -1.730 44.952 1.00 0.13 C HETATM 1677 N12 OJ A 1 9.838 -0.974 45.661 1.00 -0.28 N HETATM 1678 N13 OJ A 1 10.314 -0.121 46.618 1.00 -0.28 N HETATM 1679 C14 OJ A 1 11.616 -0.024 46.842 1.00 0.07 C HETATM 1680 C15 OJ A 1 12.024 0.862 47.815 1.00 0.01 C HETATM 1681 C16 OJ A 1 11.854 0.554 49.160 1.00 -0.04 C HETATM 1682 C17 OJ A 1 12.266 1.465 50.127 1.00 -0.05 C HETATM 1683 C18 OJ A 1 12.833 2.677 49.746 1.00 -0.06 C HETATM 1684 C19 OJ A 1 12.999 2.980 48.401 1.00 -0.05 C HETATM 1685 C20 OJ A 1 12.587 2.075 47.432 1.00 -0.04 C HETATM 1686 H18 OJ A 1 12.704 2.313 46.381 1.00 0.07 H HETATM 1687 H17 OJ A 1 13.450 3.921 48.108 1.00 0.06 H HETATM 1688 H16 OJ A 1 13.146 3.388 50.502 1.00 0.07 H HETATM 1689 H15 OJ A 1 12.145 1.230 51.178 1.00 0.06 H HETATM 1690 H14 OJ A 1 11.404 -0.388 49.453 1.00 0.07 H HETATM 1691 C21 OJ A 1 12.560 -0.802 46.097 1.00 0.03 C HETATM 1692 C22 OJ A 1 13.972 -0.725 46.310 1.00 -0.03 C HETATM 1693 C23 OJ A 1 14.857 -1.506 45.565 1.00 0.01 C HETATM 1694 C24 OJ A 1 14.349 -2.370 44.588 1.00 0.06 C HETATM 1695 CL25 OJ A 1 15.459 -3.374 43.622 1.00 -0.06 CL HETATM 1696 C26 OJ A 1 12.974 -2.452 44.373 1.00 -0.02 C HETATM 1697 C27 OJ A 1 12.073 -1.650 45.144 1.00 0.05 C HETATM 1698 H20 OJ A 1 12.585 -3.126 43.618 1.00 0.07 H HETATM 1699 C28 OJ A 1 16.224 -1.389 45.801 1.00 0.05 C HETATM 1700 C29 OJ A 1 16.801 -1.896 46.963 1.00 0.10 C HETATM 1701 O30 OJ A 1 16.005 -2.557 47.906 1.00 -0.33 O HETATM 1702 H21 OJ A 1 15.598 -3.314 47.501 1.00 0.25 H HETATM 1703 C31 OJ A 1 18.168 -1.752 47.186 1.00 -0.03 C HETATM 1704 C32 OJ A 1 18.964 -1.094 46.257 1.00 -0.07 C HETATM 1705 C33 OJ A 1 18.395 -0.584 45.097 1.00 -0.04 C HETATM 1706 C34 OJ A 1 17.030 -0.727 44.874 1.00 0.14 C HETATM 1707 F35 OJ A 1 16.481 -0.224 43.733 1.00 -0.18 F HETATM 1708 H24 OJ A 1 19.014 -0.075 44.367 1.00 0.05 H HETATM 1709 H23 OJ A 1 20.027 -0.979 46.437 1.00 0.06 H HETATM 1710 H22 OJ A 1 18.613 -2.155 48.089 1.00 0.05 H HETATM 1711 H19 OJ A 1 14.361 -0.049 47.062 1.00 0.07 H HETATM 1712 H8 OJ A 1 9.409 -1.261 42.407 1.00 0.06 H HETATM 1713 H9 OJ A 1 11.198 -1.377 42.506 1.00 0.06 H HETATM 1714 H6 OJ A 1 10.390 -2.580 40.528 1.00 0.05 H HETATM 1715 H7 OJ A 1 11.056 -3.743 41.725 1.00 0.05 H HETATM 1716 H4 OJ A 1 6.962 -5.502 39.767 1.00 0.05 H HETATM 1717 H5 OJ A 1 6.746 -4.952 41.463 1.00 0.05 H HETATM 1718 H1 OJ A 1 4.804 -4.366 40.075 1.00 0.03 H HETATM 1719 H2 OJ A 1 5.870 -3.444 38.961 1.00 0.03 H HETATM 1720 H3 OJ A 1 5.654 -2.895 40.658 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 145 144 146 1576 CONECT 556 557 572 573 574 CONECT 572 556 CONECT 573 556 CONECT 574 556 CONECT 1576 145 CONECT 1662 1663 1718 1719 1720 CONECT 1663 1662 1664 1716 1717 CONECT 1664 1663 1665 1666 CONECT 1665 1664 CONECT 1666 1664 1667 1671 CONECT 1667 1666 1668 1714 1715 CONECT 1668 1667 1669 1712 1713 CONECT 1669 1668 1670 1676 CONECT 1670 1669 1671 1674 1675 CONECT 1671 1666 1670 1672 1673 CONECT 1672 1671 CONECT 1673 1671 CONECT 1674 1670 CONECT 1675 1670 CONECT 1676 1669 1677 1697 CONECT 1677 1676 1678 CONECT 1678 1677 1679 CONECT 1679 1678 1680 1691 CONECT 1680 1679 1681 1685 CONECT 1681 1680 1682 1690 CONECT 1682 1681 1683 1689 CONECT 1683 1682 1684 1688 CONECT 1684 1683 1685 1687 CONECT 1685 1680 1684 1686 CONECT 1686 1685 CONECT 1687 1684 CONECT 1688 1683 CONECT 1689 1682 CONECT 1690 1681 CONECT 1691 1679 1692 1697 CONECT 1692 1691 1693 1711 CONECT 1693 1692 1694 1699 CONECT 1694 1693 1695 1696 CONECT 1695 1694 CONECT 1696 1694 1697 1698 CONECT 1697 1676 1691 1696 CONECT 1698 1696 CONECT 1699 1693 1700 1706 CONECT 1700 1699 1701 1703 CONECT 1701 1700 1702 CONECT 1702 1701 CONECT 1703 1700 1704 1710 CONECT 1704 1703 1705 1709 CONECT 1705 1704 1706 1708 CONECT 1706 1699 1705 1707 CONECT 1707 1706 CONECT 1708 1705 CONECT 1709 1704 CONECT 1710 1703 CONECT 1711 1692 CONECT 1712 1668 CONECT 1713 1668 CONECT 1714 1667 CONECT 1715 1667 CONECT 1716 1663 CONECT 1717 1663 CONECT 1718 1662 CONECT 1719 1662 CONECT 1720 1662 MASTER 0 0 0 0 0 0 0 0 1718 2 69 13 END
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Related entries of code: 6pgo
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%
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%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
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
6pgo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human KRAS G12C
Ligand Name
OJ1
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
IC50=20.1uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) J.Med.Chem. Vol. 63: pp. 52-65
Ligand Properties
Formula
C
2
7
H
2
4
ClFN
4
O
2
Molecular Weight
490.956
Exact Mass
490.157
No. of atoms
59
No. of bonds
63
Polar Surface Area
69.56
LOGP Value
4.95 (
Computed with XLOGP3
)
5.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
CCC(=O)N1CCN(CC1)c1nnc(c2c1cc(Cl)c(c2)c1c(O)cccc1F)c1ccccc1
InChI String
InChI=1S/C27H24ClFN4O2/c1-2-24(35)32-11-13-33(14-12-32)27-19-16-21(28)20(25-22(29)9-6-10-23(25)34)15-18(19)26(30-31-27)17-7-4-3-5-8-17/h3-10,15-16,34H,2,11-14H2,1H3
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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