Browse entries in the PDBbind-CN Database
HEADER 5SYN_COMPLEX COMPND 5SYN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 223 PRO LEU LEU THR ASP ALA ALA THR VAL SER GLY ALA GLU SEQRES 2 A 223 ARG GLU THR ALA ALA VAL ILE PHE LEU HIS GLY LEU GLY SEQRES 3 A 223 ASP THR GLY HIS SER TRP ALA ASP ALA LEU SER THR ILE SEQRES 4 A 223 ARG LEU PRO HIS VAL LYS TYR ILE CYS PRO HIS ALA PRO SEQRES 5 A 223 ARG ILE PRO VAL THR LEU ASN MET LYS MET VAL MET PRO SEQRES 6 A 223 SER TRP PHE ASP LEU MET GLY LEU SER PRO ASP ALA PRO SEQRES 7 A 223 GLU ASP GLU ALA GLY ILE LYS LYS ALA ALA GLU ASN ILE SEQRES 8 A 223 LYS ALA LEU ILE GLU HIS GLU MET LYS ASN GLY ILE PRO SEQRES 9 A 223 ALA ASN ARG ILE VAL LEU GLY GLY PHE SER GLN GLY GLY SEQRES 10 A 223 ALA LEU SER LEU TYR THR ALA LEU THR CYS PRO HIS PRO SEQRES 11 A 223 LEU ALA GLY ILE VAL ALA LEU SER CYS TRP LEU PRO LEU SEQRES 12 A 223 HIS ARG ALA PHE PRO GLN ALA ALA ASN GLY SER ALA LYS SEQRES 13 A 223 ASP LEU ALA ILE LEU GLN CYS HIS GLY GLU LEU ASP PRO SEQRES 14 A 223 MET VAL PRO VAL ARG PHE GLY ALA LEU THR ALA GLU LYS SEQRES 15 A 223 LEU ARG SER VAL VAL THR PRO ALA ARG VAL GLN PHE LYS SEQRES 16 A 223 THR TYR PRO GLY VAL MET HIS SER SER CYS PRO GLN GLU SEQRES 17 A 223 MET ALA ALA VAL LYS GLU PHE LEU GLU LYS LEU LEU PRO SEQRES 18 A 223 PRO VAL HET UNN A 328 53 ATOM 1 N PRO A 9 12.011 -17.722 67.669 1.00 29.95 N ATOM 2 CA PRO A 9 12.403 -16.648 68.595 1.00 28.50 C ATOM 3 C PRO A 9 13.060 -15.491 67.846 1.00 26.23 C ATOM 4 O PRO A 9 14.203 -15.623 67.413 1.00 26.06 O ATOM 5 CB PRO A 9 13.382 -17.333 69.559 1.00 31.57 C ATOM 6 CG PRO A 9 13.755 -18.629 68.901 1.00 37.13 C ATOM 7 CD PRO A 9 12.585 -19.020 68.064 1.00 33.22 C ATOM 8 HN2 PRO A 9 12.345 -17.482 66.714 1.00 0.00 H ATOM 9 HN1 PRO A 9 10.974 -17.800 67.663 1.00 0.00 H ATOM 10 N LEU A 10 12.332 -14.371 67.675 1.00 16.83 N ATOM 11 CA LEU A 10 12.836 -13.209 66.946 1.00 14.19 C ATOM 12 C LEU A 10 13.527 -12.226 67.904 1.00 17.40 C ATOM 13 O LEU A 10 12.889 -11.688 68.801 1.00 17.46 O ATOM 14 CB LEU A 10 11.672 -12.521 66.157 1.00 13.27 C ATOM 15 CG LEU A 10 11.933 -11.127 65.517 1.00 16.68 C ATOM 16 CD1 LEU A 10 13.074 -11.153 64.469 1.00 15.96 C ATOM 17 CD2 LEU A 10 10.675 -10.585 64.873 1.00 21.02 C ATOM 18 H LEU A 10 11.374 -14.331 68.077 1.00 0.00 H ATOM 19 N LEU A 11 14.843 -12.026 67.696 1.00 13.61 N ATOM 20 CA LEU A 11 15.697 -11.114 68.469 1.00 12.48 C ATOM 21 C LEU A 11 16.300 -10.089 67.505 1.00 14.57 C ATOM 22 O LEU A 11 17.086 -10.452 66.619 1.00 16.86 O ATOM 23 CB LEU A 11 16.789 -11.904 69.214 1.00 12.65 C ATOM 24 H LEU A 11 15.291 -12.561 66.925 1.00 0.00 H ATOM 25 N THR A 12 15.884 -8.819 67.631 1.00 9.11 N ATOM 26 CA THR A 12 16.312 -7.752 66.735 1.00 9.22 C ATOM 27 C THR A 12 17.207 -6.736 67.456 1.00 13.91 C ATOM 28 O THR A 12 16.795 -6.114 68.426 1.00 12.05 O ATOM 29 CB THR A 12 15.056 -7.092 66.113 1.00 15.00 C ATOM 30 OG1 THR A 12 14.236 -8.122 65.556 1.00 17.02 O ATOM 31 CG2 THR A 12 15.375 -6.014 65.067 1.00 12.02 C ATOM 32 HG1 THR A 12 13.427 -7.717 65.153 1.00 0.00 H ATOM 33 H THR A 12 15.227 -8.586 68.403 1.00 0.00 H ATOM 34 N ASP A 13 18.432 -6.570 66.941 1.00 9.70 N ATOM 35 CA ASP A 13 19.387 -5.558 67.379 1.00 7.56 C ATOM 36 C ASP A 13 19.253 -4.388 66.394 1.00 10.33 C ATOM 37 O ASP A 13 19.493 -4.566 65.184 1.00 8.25 O ATOM 38 CB ASP A 13 20.804 -6.113 67.390 1.00 7.57 C ATOM 39 CG ASP A 13 21.810 -5.245 68.111 1.00 17.46 C ATOM 40 OD1 ASP A 13 21.388 -4.419 68.956 1.00 18.58 O ATOM 41 OD2 ASP A 13 23.031 -5.435 67.880 1.00 17.01 O ATOM 42 H ASP A 13 18.723 -7.209 66.174 1.00 0.00 H ATOM 43 N ALA A 14 18.771 -3.226 66.874 1.00 8.22 N ATOM 44 CA ALA A 14 18.565 -2.095 65.957 1.00 8.40 C ATOM 45 C ALA A 14 18.619 -0.749 66.656 1.00 11.90 C ATOM 46 O ALA A 14 18.482 -0.664 67.885 1.00 9.68 O ATOM 47 CB ALA A 14 17.199 -2.230 65.288 1.00 9.42 C ATOM 48 H ALA A 14 18.546 -3.129 67.885 1.00 0.00 H ATOM 49 N ALA A 15 18.773 0.315 65.843 1.00 8.84 N ATOM 50 CA ALA A 15 18.588 1.709 66.253 1.00 9.98 C ATOM 51 C ALA A 15 17.273 2.130 65.609 1.00 11.16 C ATOM 52 O ALA A 15 17.150 2.078 64.376 1.00 11.18 O ATOM 53 CB ALA A 15 19.758 2.588 65.802 1.00 10.40 C ATOM 54 H ALA A 15 19.042 0.133 64.855 1.00 0.00 H ATOM 55 N THR A 16 16.263 2.458 66.434 1.00 7.90 N ATOM 56 CA THR A 16 14.918 2.786 65.983 1.00 7.86 C ATOM 57 C THR A 16 14.550 4.235 66.273 1.00 11.22 C ATOM 58 O THR A 16 14.668 4.672 67.426 1.00 10.33 O ATOM 59 CB THR A 16 13.887 1.859 66.702 1.00 13.52 C ATOM 60 OG1 THR A 16 14.173 0.487 66.415 1.00 14.41 O ATOM 61 CG2 THR A 16 12.416 2.151 66.307 1.00 13.87 C ATOM 62 HG1 THR A 16 15.084 0.268 66.733 1.00 0.00 H ATOM 63 H THR A 16 16.454 2.479 67.456 1.00 0.00 H ATOM 64 N VAL A 17 14.083 4.964 65.225 1.00 8.59 N ATOM 65 CA VAL A 17 13.536 6.306 65.401 1.00 9.70 C ATOM 66 C VAL A 17 12.039 6.105 65.597 1.00 12.81 C ATOM 67 O VAL A 17 11.357 5.624 64.688 1.00 11.59 O ATOM 68 CB VAL A 17 13.833 7.261 64.210 1.00 15.16 C ATOM 69 CG1 VAL A 17 13.417 8.704 64.553 1.00 15.19 C ATOM 70 CG2 VAL A 17 15.305 7.193 63.790 1.00 15.57 C ATOM 71 H VAL A 17 14.116 4.554 64.270 1.00 0.00 H ATOM 72 N SER A 18 11.538 6.421 66.790 1.00 11.34 N ATOM 73 CA SER A 18 10.121 6.298 67.129 1.00 11.49 C ATOM 74 C SER A 18 9.324 7.470 66.567 1.00 17.75 C ATOM 75 O SER A 18 9.863 8.562 66.381 1.00 21.46 O ATOM 76 CB SER A 18 9.955 6.264 68.647 1.00 16.21 C ATOM 77 OG SER A 18 10.457 5.070 69.221 1.00 23.33 O ATOM 78 HG SER A 18 11.422 4.988 69.017 1.00 0.00 H ATOM 79 H SER A 18 12.190 6.774 67.520 1.00 0.00 H ATOM 80 N GLY A 19 8.043 7.256 66.348 1.00 14.83 N ATOM 81 CA GLY A 19 7.137 8.320 65.957 1.00 13.89 C ATOM 82 C GLY A 19 6.749 9.145 67.179 1.00 17.30 C ATOM 83 O GLY A 19 6.666 8.622 68.297 1.00 16.34 O ATOM 84 H GLY A 19 7.668 6.292 66.459 1.00 0.00 H ATOM 85 N ALA A 20 6.557 10.454 66.989 1.00 15.37 N ATOM 86 CA ALA A 20 6.125 11.361 68.055 1.00 16.52 C ATOM 87 C ALA A 20 4.623 11.139 68.316 1.00 21.17 C ATOM 88 O ALA A 20 4.116 11.429 69.399 1.00 22.27 O ATOM 89 CB ALA A 20 6.393 12.797 67.643 1.00 17.96 C ATOM 90 H ALA A 20 6.722 10.847 66.040 1.00 0.00 H ATOM 91 N GLU A 21 3.915 10.625 67.292 1.00 16.86 N ATOM 92 CA GLU A 21 2.503 10.274 67.376 1.00 17.99 C ATOM 93 C GLU A 21 2.403 8.748 67.297 1.00 21.15 C ATOM 94 O GLU A 21 3.419 8.095 67.010 1.00 19.46 O ATOM 95 CB GLU A 21 1.718 10.951 66.232 1.00 20.05 C ATOM 96 CG GLU A 21 1.672 12.465 66.319 1.00 25.03 C ATOM 97 CD GLU A 21 0.969 13.117 65.145 1.00 49.06 C ATOM 98 H GLU A 21 4.405 10.469 66.388 1.00 0.00 H ATOM 99 N ARG A 22 1.202 8.169 67.532 1.00 18.76 N ATOM 100 CA ARG A 22 1.000 6.723 67.398 1.00 17.45 C ATOM 101 C ARG A 22 1.443 6.297 65.987 1.00 18.10 C ATOM 102 O ARG A 22 1.048 6.905 64.988 1.00 17.61 O ATOM 103 CB ARG A 22 -0.468 6.363 67.659 1.00 17.23 C ATOM 104 CG ARG A 22 -0.814 4.885 67.552 1.00 23.91 C ATOM 105 CD ARG A 22 -2.307 4.659 67.751 1.00 33.85 C ATOM 106 NE ARG A 22 -3.117 5.351 66.739 1.00 44.38 N ATOM 107 CZ ARG A 22 -3.650 4.771 65.666 1.00 49.48 C ATOM 108 NH1 ARG A 22 -3.499 3.468 65.462 1.00 29.06 N ATOM 109 NH2 ARG A 22 -4.358 5.488 64.800 1.00 31.10 N ATOM 110 HE ARG A 22 -3.286 6.369 66.871 1.00 0.00 H ATOM 111 HH12 ARG A 22 -3.918 3.021 64.622 1.00 0.00 H ATOM 112 HH11 ARG A 22 -2.962 2.894 66.143 1.00 0.00 H ATOM 113 HH22 ARG A 22 -4.773 5.031 63.963 1.00 0.00 H ATOM 114 HH21 ARG A 22 -4.497 6.506 64.959 1.00 0.00 H ATOM 115 H ARG A 22 0.400 8.767 67.816 1.00 0.00 H ATOM 116 N GLU A 23 2.282 5.275 65.921 1.00 13.17 N ATOM 117 CA GLU A 23 2.850 4.769 64.676 1.00 11.18 C ATOM 118 C GLU A 23 1.819 3.982 63.883 1.00 14.16 C ATOM 119 O GLU A 23 1.191 3.064 64.415 1.00 12.32 O ATOM 120 CB GLU A 23 4.081 3.924 64.958 1.00 11.28 C ATOM 121 CG GLU A 23 5.130 4.723 65.694 1.00 12.61 C ATOM 122 CD GLU A 23 6.081 3.934 66.562 1.00 13.38 C ATOM 123 OE1 GLU A 23 5.713 2.829 67.026 1.00 16.26 O ATOM 124 OE2 GLU A 23 7.159 4.487 66.872 1.00 11.81 O ATOM 125 H GLU A 23 2.552 4.805 66.809 1.00 0.00 H ATOM 126 N THR A 24 1.614 4.399 62.620 1.00 11.27 N ATOM 127 CA THR A 24 0.655 3.819 61.677 1.00 11.65 C ATOM 128 C THR A 24 1.389 3.356 60.402 1.00 14.04 C ATOM 129 O THR A 24 0.752 2.946 59.425 1.00 13.05 O ATOM 130 CB THR A 24 -0.454 4.834 61.337 1.00 17.29 C ATOM 131 OG1 THR A 24 0.088 5.945 60.611 1.00 13.52 O ATOM 132 CG2 THR A 24 -1.228 5.317 62.569 1.00 14.70 C ATOM 133 HG1 THR A 24 -0.637 6.586 60.401 1.00 0.00 H ATOM 134 H THR A 24 2.185 5.201 62.285 1.00 0.00 H ATOM 135 N ALA A 25 2.716 3.500 60.399 1.00 9.60 N ATOM 136 CA ALA A 25 3.610 3.124 59.286 1.00 9.50 C ATOM 137 C ALA A 25 5.014 2.791 59.777 1.00 11.56 C ATOM 138 O ALA A 25 5.453 3.269 60.845 1.00 10.68 O ATOM 139 CB ALA A 25 3.684 4.235 58.251 1.00 11.06 C ATOM 140 H ALA A 25 3.155 3.910 61.248 1.00 0.00 H ATOM 141 N ALA A 26 5.736 1.973 58.988 1.00 8.99 N ATOM 142 CA ALA A 26 7.087 1.586 59.365 1.00 8.42 C ATOM 143 C ALA A 26 8.009 1.604 58.170 1.00 12.88 C ATOM 144 O ALA A 26 7.602 1.207 57.076 1.00 11.65 O ATOM 145 CB ALA A 26 7.080 0.197 59.973 1.00 9.08 C ATOM 146 H ALA A 26 5.325 1.615 58.102 1.00 0.00 H ATOM 147 N VAL A 27 9.226 2.105 58.374 1.00 8.53 N ATOM 148 CA VAL A 27 10.323 2.079 57.395 1.00 8.10 C ATOM 149 C VAL A 27 11.403 1.171 57.993 1.00 11.37 C ATOM 150 O VAL A 27 11.838 1.429 59.103 1.00 9.85 O ATOM 151 CB VAL A 27 10.848 3.503 57.050 1.00 10.94 C ATOM 152 CG1 VAL A 27 12.175 3.466 56.264 1.00 9.86 C ATOM 153 CG2 VAL A 27 9.800 4.305 56.275 1.00 11.50 C ATOM 154 H VAL A 27 9.415 2.548 59.296 1.00 0.00 H ATOM 155 N ILE A 28 11.764 0.065 57.305 1.00 6.86 N ATOM 156 CA ILE A 28 12.857 -0.804 57.766 1.00 6.50 C ATOM 157 C ILE A 28 14.028 -0.507 56.831 1.00 7.80 C ATOM 158 O ILE A 28 13.932 -0.813 55.623 1.00 8.24 O ATOM 159 CB ILE A 28 12.464 -2.296 57.771 1.00 9.01 C ATOM 160 CG1 ILE A 28 11.284 -2.554 58.766 1.00 8.89 C ATOM 161 CG2 ILE A 28 13.724 -3.138 58.098 1.00 8.85 C ATOM 162 CD1 ILE A 28 10.491 -3.782 58.477 1.00 16.39 C ATOM 163 H ILE A 28 11.257 -0.177 56.430 1.00 0.00 H ATOM 164 N PHE A 29 15.093 0.120 57.355 1.00 4.92 N ATOM 165 CA PHE A 29 16.228 0.598 56.523 1.00 4.21 C ATOM 166 C PHE A 29 17.473 -0.157 56.867 1.00 8.85 C ATOM 167 O PHE A 29 17.836 -0.259 58.041 1.00 8.67 O ATOM 168 CB PHE A 29 16.441 2.096 56.741 1.00 5.58 C ATOM 169 CG PHE A 29 17.343 2.741 55.729 1.00 6.21 C ATOM 170 CD1 PHE A 29 18.712 2.758 55.916 1.00 8.05 C ATOM 171 CD2 PHE A 29 16.819 3.320 54.579 1.00 8.56 C ATOM 172 CE1 PHE A 29 19.552 3.294 54.951 1.00 10.42 C ATOM 173 CE2 PHE A 29 17.657 3.873 53.615 1.00 11.73 C ATOM 174 CZ PHE A 29 19.021 3.873 53.814 1.00 10.34 C ATOM 175 H PHE A 29 15.125 0.277 58.383 1.00 0.00 H ATOM 176 N LEU A 30 18.150 -0.652 55.829 1.00 5.97 N ATOM 177 CA LEU A 30 19.299 -1.512 55.972 1.00 6.15 C ATOM 178 C LEU A 30 20.569 -0.778 55.537 1.00 9.41 C ATOM 179 O LEU A 30 20.682 -0.359 54.397 1.00 7.92 O ATOM 180 CB LEU A 30 19.058 -2.800 55.134 1.00 6.45 C ATOM 181 CG LEU A 30 17.737 -3.571 55.446 1.00 10.67 C ATOM 182 CD1 LEU A 30 17.587 -4.824 54.585 1.00 11.52 C ATOM 183 CD2 LEU A 30 17.609 -3.909 56.944 1.00 11.17 C ATOM 184 H LEU A 30 17.833 -0.405 54.870 1.00 0.00 H ATOM 185 N HIS A 31 21.530 -0.649 56.455 1.00 8.00 N ATOM 186 CA HIS A 31 22.790 0.068 56.187 1.00 6.52 C ATOM 187 C HIS A 31 23.709 -0.701 55.184 1.00 11.12 C ATOM 188 O HIS A 31 23.461 -1.866 54.859 1.00 9.84 O ATOM 189 CB HIS A 31 23.540 0.285 57.514 1.00 5.94 C ATOM 190 CG HIS A 31 23.946 -0.994 58.166 1.00 7.88 C ATOM 191 ND1 HIS A 31 25.026 -1.746 57.687 1.00 9.19 N ATOM 192 CD2 HIS A 31 23.416 -1.630 59.242 1.00 10.22 C ATOM 193 CE1 HIS A 31 25.092 -2.809 58.470 1.00 8.12 C ATOM 194 NE2 HIS A 31 24.156 -2.786 59.424 1.00 9.46 N ATOM 195 H HIS A 31 21.384 -1.070 57.395 1.00 0.00 H ATOM 196 N GLY A 32 24.802 -0.059 54.774 1.00 7.98 N ATOM 197 CA GLY A 32 25.773 -0.650 53.857 1.00 9.05 C ATOM 198 C GLY A 32 26.810 -1.509 54.569 1.00 11.24 C ATOM 199 O GLY A 32 26.900 -1.513 55.803 1.00 9.34 O ATOM 200 H GLY A 32 24.971 0.906 55.122 1.00 0.00 H ATOM 201 N LEU A 33 27.647 -2.222 53.778 1.00 7.79 N ATOM 202 CA LEU A 33 28.702 -3.101 54.286 1.00 7.03 C ATOM 203 C LEU A 33 29.548 -2.374 55.345 1.00 10.89 C ATOM 204 O LEU A 33 29.938 -1.224 55.128 1.00 11.05 O ATOM 205 CB LEU A 33 29.597 -3.549 53.100 1.00 7.03 C ATOM 206 CG LEU A 33 30.795 -4.411 53.378 1.00 11.78 C ATOM 207 CD1 LEU A 33 30.382 -5.803 53.755 1.00 11.31 C ATOM 208 CD2 LEU A 33 31.751 -4.409 52.202 1.00 14.87 C ATOM 209 H LEU A 33 27.533 -2.140 52.747 1.00 0.00 H ATOM 210 N GLY A 34 29.806 -3.066 56.447 1.00 8.94 N ATOM 211 CA GLY A 34 30.651 -2.640 57.564 1.00 8.35 C ATOM 212 C GLY A 34 30.095 -1.637 58.543 1.00 11.59 C ATOM 213 O GLY A 34 30.755 -1.307 59.528 1.00 13.90 O ATOM 214 H GLY A 34 29.364 -4.004 56.525 1.00 0.00 H ATOM 215 N ASP A 35 28.915 -1.138 58.288 1.00 9.21 N ATOM 216 CA ASP A 35 28.334 -0.103 59.129 1.00 9.53 C ATOM 217 C ASP A 35 27.488 -0.710 60.237 1.00 14.53 C ATOM 218 O ASP A 35 27.455 -1.926 60.412 1.00 13.21 O ATOM 219 CB ASP A 35 27.483 0.819 58.224 1.00 11.51 C ATOM 220 CG ASP A 35 27.222 2.239 58.725 1.00 18.79 C ATOM 221 OD1 ASP A 35 27.733 2.596 59.832 1.00 15.07 O ATOM 222 OD2 ASP A 35 26.505 2.998 58.012 1.00 18.46 O ATOM 223 H ASP A 35 28.380 -1.488 57.467 1.00 0.00 H ATOM 224 N THR A 36 26.844 0.154 61.009 1.00 11.01 N ATOM 225 CA THR A 36 25.834 -0.196 61.992 1.00 11.87 C ATOM 226 C THR A 36 24.606 0.620 61.546 1.00 14.15 C ATOM 227 O THR A 36 24.701 1.381 60.570 1.00 14.72 O ATOM 228 CB THR A 36 26.333 0.071 63.401 1.00 15.37 C ATOM 229 OG1 THR A 36 26.586 1.484 63.536 1.00 14.74 O ATOM 230 CG2 THR A 36 27.564 -0.788 63.765 1.00 15.08 C ATOM 231 HG1 THR A 36 26.913 1.674 64.451 1.00 0.00 H ATOM 232 H THR A 36 27.081 1.161 60.902 1.00 0.00 H ATOM 233 N GLY A 37 23.470 0.463 62.198 1.00 12.98 N ATOM 234 CA GLY A 37 22.303 1.236 61.777 1.00 12.44 C ATOM 235 C GLY A 37 22.243 2.668 62.292 1.00 15.80 C ATOM 236 O GLY A 37 21.389 3.436 61.836 1.00 15.19 O ATOM 237 H GLY A 37 23.406 -0.199 62.997 1.00 0.00 H ATOM 238 N HIS A 38 23.180 3.036 63.223 1.00 12.15 N ATOM 239 CA HIS A 38 23.262 4.313 63.939 1.00 11.69 C ATOM 240 C HIS A 38 23.187 5.557 63.035 1.00 12.97 C ATOM 241 O HIS A 38 22.302 6.393 63.237 1.00 12.58 O ATOM 242 CB HIS A 38 24.561 4.365 64.772 1.00 14.01 C ATOM 243 CG HIS A 38 24.678 5.570 65.657 1.00 18.56 C ATOM 244 ND1 HIS A 38 24.175 5.569 66.946 1.00 21.05 N ATOM 245 CD2 HIS A 38 25.257 6.771 65.413 1.00 21.13 C ATOM 246 CE1 HIS A 38 24.458 6.762 67.443 1.00 20.89 C ATOM 247 NE2 HIS A 38 25.099 7.525 66.551 1.00 21.29 N ATOM 248 H HIS A 38 23.913 2.332 63.446 1.00 0.00 H ATOM 249 N SER A 39 24.149 5.706 62.095 1.00 7.82 N ATOM 250 CA SER A 39 24.244 6.875 61.210 1.00 6.91 C ATOM 251 C SER A 39 22.969 7.053 60.382 1.00 10.61 C ATOM 252 O SER A 39 22.462 8.156 60.302 1.00 11.36 O ATOM 253 CB SER A 39 25.456 6.739 60.280 1.00 12.68 C ATOM 254 OG SER A 39 25.848 7.994 59.750 1.00 27.95 O ATOM 255 HG SER A 39 26.630 7.870 59.156 1.00 0.00 H ATOM 256 H SER A 39 24.859 4.953 61.994 1.00 0.00 H ATOM 257 N TRP A 40 22.446 5.976 59.787 1.00 8.42 N ATOM 258 CA TRP A 40 21.232 6.073 58.962 1.00 8.26 C ATOM 259 C TRP A 40 19.994 6.382 59.833 1.00 10.15 C ATOM 260 O TRP A 40 19.123 7.118 59.381 1.00 11.78 O ATOM 261 CB TRP A 40 21.037 4.809 58.130 1.00 7.93 C ATOM 262 CG TRP A 40 21.810 4.876 56.851 1.00 9.14 C ATOM 263 CD1 TRP A 40 22.934 4.174 56.531 1.00 11.53 C ATOM 264 CD2 TRP A 40 21.555 5.763 55.743 1.00 9.29 C ATOM 265 NE1 TRP A 40 23.375 4.534 55.276 1.00 11.16 N ATOM 266 CE2 TRP A 40 22.537 5.501 54.763 1.00 12.78 C ATOM 267 CE3 TRP A 40 20.574 6.737 55.481 1.00 11.18 C ATOM 268 CZ2 TRP A 40 22.561 6.171 53.528 1.00 13.51 C ATOM 269 CZ3 TRP A 40 20.591 7.388 54.253 1.00 12.60 C ATOM 270 CH2 TRP A 40 21.575 7.107 53.301 1.00 12.74 C ATOM 271 HE1 TRP A 40 24.207 4.139 54.793 1.00 0.00 H ATOM 272 H TRP A 40 22.906 5.052 59.910 1.00 0.00 H ATOM 273 N ALA A 41 19.943 5.879 61.088 1.00 5.94 N ATOM 274 CA ALA A 41 18.862 6.239 62.016 1.00 5.98 C ATOM 275 C ALA A 41 18.864 7.755 62.229 1.00 11.50 C ATOM 276 O ALA A 41 17.819 8.382 62.081 1.00 10.85 O ATOM 277 CB ALA A 41 19.017 5.509 63.340 1.00 8.01 C ATOM 278 H ALA A 41 20.686 5.223 61.403 1.00 0.00 H ATOM 279 N ASP A 42 20.058 8.345 62.480 1.00 10.54 N ATOM 280 CA ASP A 42 20.222 9.792 62.663 1.00 11.06 C ATOM 281 C ASP A 42 19.772 10.563 61.429 1.00 14.04 C ATOM 282 O ASP A 42 19.084 11.566 61.569 1.00 16.25 O ATOM 283 CB ASP A 42 21.675 10.151 62.983 1.00 12.73 C ATOM 284 CG ASP A 42 22.105 9.783 64.394 1.00 24.24 C ATOM 285 OD1 ASP A 42 21.229 9.709 65.281 1.00 27.52 O ATOM 286 OD2 ASP A 42 23.328 9.649 64.628 1.00 26.09 O ATOM 287 H ASP A 42 20.902 7.741 62.546 1.00 0.00 H ATOM 288 N ALA A 43 20.170 10.100 60.233 1.00 10.94 N ATOM 289 CA ALA A 43 19.821 10.713 58.950 1.00 11.55 C ATOM 290 C ALA A 43 18.319 10.663 58.729 1.00 13.68 C ATOM 291 O ALA A 43 17.719 11.672 58.382 1.00 12.94 O ATOM 292 CB ALA A 43 20.543 9.998 57.820 1.00 12.76 C ATOM 293 H ALA A 43 20.767 9.248 60.217 1.00 0.00 H ATOM 294 N LEU A 44 17.700 9.498 58.942 1.00 8.22 N ATOM 295 CA LEU A 44 16.238 9.376 58.744 1.00 7.05 C ATOM 296 C LEU A 44 15.464 10.221 59.777 1.00 13.24 C ATOM 297 O LEU A 44 14.380 10.731 59.460 1.00 13.41 O ATOM 298 CB LEU A 44 15.785 7.930 58.776 1.00 6.51 C ATOM 299 CG LEU A 44 16.211 7.087 57.568 1.00 9.17 C ATOM 300 CD1 LEU A 44 16.064 5.601 57.861 1.00 8.21 C ATOM 301 CD2 LEU A 44 15.416 7.460 56.299 1.00 9.10 C ATOM 302 H LEU A 44 18.250 8.670 59.249 1.00 0.00 H ATOM 303 N SER A 45 16.026 10.382 61.016 1.00 10.89 N ATOM 304 CA SER A 45 15.394 11.223 62.036 1.00 8.78 C ATOM 305 C SER A 45 15.314 12.688 61.549 1.00 10.55 C ATOM 306 O SER A 45 14.338 13.349 61.847 1.00 10.73 O ATOM 307 CB SER A 45 16.155 11.121 63.360 1.00 11.19 C ATOM 308 OG SER A 45 15.655 12.020 64.341 1.00 17.18 O ATOM 309 HG SER A 45 16.176 11.918 65.177 1.00 0.00 H ATOM 310 H SER A 45 16.919 9.897 61.237 1.00 0.00 H ATOM 311 N THR A 46 16.295 13.171 60.739 1.00 10.72 N ATOM 312 CA THR A 46 16.321 14.557 60.229 1.00 11.37 C ATOM 313 C THR A 46 15.185 14.814 59.252 1.00 13.60 C ATOM 314 O THR A 46 14.879 15.983 58.993 1.00 14.39 O ATOM 315 CB THR A 46 17.668 14.931 59.558 1.00 18.06 C ATOM 316 OG1 THR A 46 17.823 14.258 58.298 1.00 16.21 O ATOM 317 CG2 THR A 46 18.875 14.737 60.470 1.00 15.86 C ATOM 318 HG1 THR A 46 17.802 13.279 58.443 1.00 0.00 H ATOM 319 H THR A 46 17.067 12.531 60.465 1.00 0.00 H ATOM 320 N ILE A 47 14.571 13.741 58.707 1.00 11.23 N ATOM 321 CA ILE A 47 13.447 13.857 57.732 1.00 10.85 C ATOM 322 C ILE A 47 12.203 13.089 58.203 1.00 15.08 C ATOM 323 O ILE A 47 11.293 12.831 57.399 1.00 13.04 O ATOM 324 CB ILE A 47 13.831 13.416 56.291 1.00 12.94 C ATOM 325 CG1 ILE A 47 14.271 11.915 56.211 1.00 12.04 C ATOM 326 CG2 ILE A 47 14.850 14.353 55.674 1.00 13.39 C ATOM 327 CD1 ILE A 47 14.107 11.238 54.810 1.00 13.70 C ATOM 328 H ILE A 47 14.896 12.791 58.979 1.00 0.00 H ATOM 329 N ARG A 48 12.162 12.729 59.487 1.00 11.62 N ATOM 330 CA ARG A 48 11.095 11.901 60.047 1.00 11.63 C ATOM 331 C ARG A 48 9.698 12.507 59.898 1.00 15.22 C ATOM 332 O ARG A 48 9.534 13.727 59.994 1.00 15.53 O ATOM 333 CB ARG A 48 11.380 11.593 61.545 1.00 10.36 C ATOM 334 CG ARG A 48 11.195 12.771 62.496 1.00 17.75 C ATOM 335 CD ARG A 48 11.922 12.582 63.815 1.00 15.18 C ATOM 336 NE ARG A 48 11.714 13.767 64.656 1.00 21.37 N ATOM 337 CZ ARG A 48 12.437 14.885 64.613 1.00 33.23 C ATOM 338 NH1 ARG A 48 13.469 14.989 63.781 1.00 13.48 N ATOM 339 NH2 ARG A 48 12.139 15.904 65.409 1.00 25.41 N ATOM 340 HE ARG A 48 10.935 13.731 65.344 1.00 0.00 H ATOM 341 HH12 ARG A 48 14.028 15.865 63.753 1.00 0.00 H ATOM 342 HH11 ARG A 48 13.717 14.194 63.158 1.00 0.00 H ATOM 343 HH22 ARG A 48 12.706 16.775 65.373 1.00 0.00 H ATOM 344 HH21 ARG A 48 11.339 15.831 66.069 1.00 0.00 H ATOM 345 H ARG A 48 12.923 13.052 60.118 1.00 0.00 H ATOM 346 N LEU A 49 8.700 11.626 59.685 1.00 13.62 N ATOM 347 CA LEU A 49 7.257 11.926 59.674 1.00 13.90 C ATOM 348 C LEU A 49 6.686 11.574 61.064 1.00 15.78 C ATOM 349 O LEU A 49 7.135 10.588 61.643 1.00 13.42 O ATOM 350 CB LEU A 49 6.540 11.135 58.570 1.00 15.22 C ATOM 351 CG LEU A 49 6.754 11.608 57.144 1.00 22.56 C ATOM 352 CD1 LEU A 49 6.750 10.431 56.207 1.00 24.26 C ATOM 353 CD2 LEU A 49 5.682 12.616 56.733 1.00 26.50 C ATOM 354 H LEU A 49 8.975 10.638 59.512 1.00 0.00 H ATOM 355 N PRO A 50 5.754 12.364 61.663 1.00 16.18 N ATOM 356 CA PRO A 50 5.317 12.069 63.050 1.00 15.09 C ATOM 357 C PRO A 50 4.715 10.682 63.350 1.00 17.93 C ATOM 358 O PRO A 50 4.852 10.208 64.485 1.00 18.24 O ATOM 359 CB PRO A 50 4.259 13.146 63.328 1.00 18.20 C ATOM 360 CG PRO A 50 4.595 14.258 62.389 1.00 23.63 C ATOM 361 CD PRO A 50 5.119 13.598 61.150 1.00 19.04 C ATOM 362 N HIS A 51 4.033 10.048 62.385 1.00 12.55 N ATOM 363 CA HIS A 51 3.350 8.760 62.593 1.00 10.24 C ATOM 364 C HIS A 51 4.152 7.568 62.049 1.00 13.87 C ATOM 365 O HIS A 51 3.608 6.476 61.894 1.00 13.76 O ATOM 366 CB HIS A 51 1.991 8.813 61.866 1.00 10.42 C ATOM 367 CG HIS A 51 2.137 9.086 60.404 1.00 14.03 C ATOM 368 ND1 HIS A 51 2.436 10.353 59.937 1.00 15.56 N ATOM 369 CD2 HIS A 51 2.101 8.229 59.356 1.00 15.76 C ATOM 370 CE1 HIS A 51 2.532 10.236 58.621 1.00 15.33 C ATOM 371 NE2 HIS A 51 2.332 8.977 58.225 1.00 15.61 N ATOM 372 H HIS A 51 3.984 10.487 61.444 1.00 0.00 H ATOM 373 N VAL A 52 5.424 7.786 61.734 1.00 9.88 N ATOM 374 CA VAL A 52 6.250 6.778 61.091 1.00 8.27 C ATOM 375 C VAL A 52 7.420 6.466 61.989 1.00 11.83 C ATOM 376 O VAL A 52 8.066 7.371 62.538 1.00 13.31 O ATOM 377 CB VAL A 52 6.722 7.240 59.689 1.00 10.61 C ATOM 378 CG1 VAL A 52 7.601 6.187 59.025 1.00 10.11 C ATOM 379 CG2 VAL A 52 5.535 7.577 58.774 1.00 10.49 C ATOM 380 H VAL A 52 5.844 8.711 61.956 1.00 0.00 H ATOM 381 N LYS A 53 7.636 5.164 62.138 1.00 8.42 N ATOM 382 CA LYS A 53 8.706 4.510 62.887 1.00 8.77 C ATOM 383 C LYS A 53 9.791 4.148 61.866 1.00 11.24 C ATOM 384 O LYS A 53 9.448 3.752 60.754 1.00 12.42 O ATOM 385 CB LYS A 53 8.113 3.252 63.559 1.00 12.33 C ATOM 386 CG LYS A 53 9.046 2.376 64.389 1.00 31.76 C ATOM 387 CD LYS A 53 8.336 1.056 64.697 1.00 39.41 C ATOM 388 CE LYS A 53 9.028 0.233 65.751 1.00 48.96 C ATOM 389 NZ LYS A 53 8.381 -1.095 65.917 1.00 57.09 N ATOM 390 HZ1 LYS A 53 7.389 -0.963 66.200 1.00 0.00 H ATOM 391 HZ2 LYS A 53 8.420 -1.613 65.016 1.00 0.00 H ATOM 392 HZ3 LYS A 53 8.883 -1.635 66.650 1.00 0.00 H ATOM 393 H LYS A 53 6.960 4.532 61.663 1.00 0.00 H ATOM 394 N TYR A 54 11.070 4.288 62.221 1.00 8.80 N ATOM 395 CA TYR A 54 12.163 3.951 61.298 1.00 8.22 C ATOM 396 C TYR A 54 13.062 2.969 61.994 1.00 10.25 C ATOM 397 O TYR A 54 13.758 3.367 62.908 1.00 9.07 O ATOM 398 CB TYR A 54 12.939 5.231 60.863 1.00 8.88 C ATOM 399 CG TYR A 54 12.077 6.305 60.212 1.00 8.97 C ATOM 400 CD1 TYR A 54 11.290 7.165 60.980 1.00 9.60 C ATOM 401 CD2 TYR A 54 12.092 6.498 58.837 1.00 9.50 C ATOM 402 CE1 TYR A 54 10.480 8.136 60.380 1.00 9.02 C ATOM 403 CE2 TYR A 54 11.307 7.482 58.232 1.00 9.86 C ATOM 404 CZ TYR A 54 10.516 8.309 59.010 1.00 13.67 C ATOM 405 OH TYR A 54 9.724 9.242 58.390 1.00 17.34 O ATOM 406 HH TYR A 54 10.293 9.860 57.866 1.00 0.00 H ATOM 407 H TYR A 54 11.298 4.643 63.171 1.00 0.00 H ATOM 408 N ILE A 55 13.054 1.693 61.578 1.00 7.39 N ATOM 409 CA ILE A 55 13.843 0.628 62.211 1.00 6.26 C ATOM 410 C ILE A 55 15.106 0.406 61.397 1.00 11.28 C ATOM 411 O ILE A 55 15.025 0.048 60.221 1.00 11.72 O ATOM 412 CB ILE A 55 13.043 -0.688 62.378 1.00 9.53 C ATOM 413 CG1 ILE A 55 11.675 -0.457 63.075 1.00 11.05 C ATOM 414 CG2 ILE A 55 13.897 -1.737 63.110 1.00 7.62 C ATOM 415 CD1 ILE A 55 10.677 -1.555 62.842 1.00 21.72 C ATOM 416 H ILE A 55 12.457 1.445 60.763 1.00 0.00 H ATOM 417 N CYS A 56 16.268 0.611 62.013 1.00 7.47 N ATOM 418 CA CYS A 56 17.568 0.448 61.357 1.00 6.95 C ATOM 419 C CYS A 56 18.350 -0.698 62.006 1.00 8.39 C ATOM 420 O CYS A 56 19.155 -0.462 62.915 1.00 8.13 O ATOM 421 CB CYS A 56 18.342 1.752 61.437 1.00 7.29 C ATOM 422 SG CYS A 56 17.555 3.116 60.559 1.00 9.44 S ATOM 423 H CYS A 56 16.252 0.902 63.011 1.00 0.00 H ATOM 424 N PRO A 57 18.115 -1.937 61.575 1.00 5.66 N ATOM 425 CA PRO A 57 18.800 -3.075 62.227 1.00 7.70 C ATOM 426 C PRO A 57 20.296 -3.116 61.957 1.00 11.34 C ATOM 427 O PRO A 57 20.789 -2.676 60.909 1.00 9.89 O ATOM 428 CB PRO A 57 18.103 -4.315 61.662 1.00 10.19 C ATOM 429 CG PRO A 57 17.042 -3.847 60.768 1.00 14.95 C ATOM 430 CD PRO A 57 17.227 -2.391 60.481 1.00 8.83 C ATOM 431 N HIS A 58 21.030 -3.637 62.947 1.00 8.85 N ATOM 432 CA HIS A 58 22.470 -3.769 62.837 1.00 8.06 C ATOM 433 C HIS A 58 22.802 -5.101 62.194 1.00 12.22 C ATOM 434 O HIS A 58 22.407 -6.148 62.727 1.00 10.67 O ATOM 435 CB HIS A 58 23.121 -3.636 64.215 1.00 7.89 C ATOM 436 CG HIS A 58 22.748 -2.401 64.979 1.00 11.10 C ATOM 437 ND1 HIS A 58 22.960 -1.131 64.458 1.00 11.63 N ATOM 438 CD2 HIS A 58 22.234 -2.281 66.226 1.00 12.94 C ATOM 439 CE1 HIS A 58 22.539 -0.284 65.386 1.00 11.19 C ATOM 440 NE2 HIS A 58 22.107 -0.926 66.479 1.00 12.40 N ATOM 441 H HIS A 58 20.556 -3.955 63.817 1.00 0.00 H ATOM 442 N ALA A 59 23.556 -5.081 61.054 1.00 9.90 N ATOM 443 CA ALA A 59 23.938 -6.330 60.383 1.00 10.06 C ATOM 444 C ALA A 59 24.805 -7.214 61.270 1.00 14.57 C ATOM 445 O ALA A 59 25.649 -6.683 62.017 1.00 11.30 O ATOM 446 CB ALA A 59 24.685 -6.038 59.088 1.00 11.20 C ATOM 447 H ALA A 59 23.863 -4.170 60.657 1.00 0.00 H ATOM 448 N PRO A 60 24.683 -8.566 61.153 1.00 12.24 N ATOM 449 CA PRO A 60 25.553 -9.442 61.944 1.00 13.73 C ATOM 450 C PRO A 60 26.976 -9.419 61.414 1.00 18.16 C ATOM 451 O PRO A 60 27.182 -9.173 60.224 1.00 16.23 O ATOM 452 CB PRO A 60 24.939 -10.834 61.740 1.00 15.95 C ATOM 453 CG PRO A 60 23.608 -10.613 61.116 1.00 20.48 C ATOM 454 CD PRO A 60 23.775 -9.367 60.304 1.00 14.91 C ATOM 455 N ARG A 61 27.952 -9.686 62.284 1.00 16.02 N ATOM 456 CA ARG A 61 29.342 -9.740 61.849 1.00 15.53 C ATOM 457 C ARG A 61 29.659 -11.128 61.296 1.00 17.21 C ATOM 458 O ARG A 61 29.510 -12.147 62.004 1.00 17.27 O ATOM 459 CB ARG A 61 30.286 -9.382 63.000 1.00 13.56 C ATOM 460 CG ARG A 61 30.200 -7.925 63.416 1.00 16.31 C ATOM 461 CD ARG A 61 31.012 -7.647 64.686 1.00 26.39 C ATOM 462 NE ARG A 61 32.447 -7.893 64.495 1.00 34.62 N ATOM 463 CZ ARG A 61 33.307 -7.004 64.005 1.00 45.67 C ATOM 464 NH1 ARG A 61 32.895 -5.790 63.661 1.00 37.92 N ATOM 465 NH2 ARG A 61 34.586 -7.319 63.867 1.00 33.41 N ATOM 466 HE ARG A 61 32.817 -8.828 64.761 1.00 0.00 H ATOM 467 HH12 ARG A 61 33.573 -5.100 63.279 1.00 0.00 H ATOM 468 HH11 ARG A 61 31.895 -5.529 63.774 1.00 0.00 H ATOM 469 HH22 ARG A 61 35.255 -6.621 63.484 1.00 0.00 H ATOM 470 HH21 ARG A 61 34.921 -8.264 64.142 1.00 0.00 H ATOM 471 H ARG A 61 27.718 -9.857 63.283 1.00 0.00 H ATOM 472 N ILE A 62 30.097 -11.160 60.020 1.00 12.94 N ATOM 473 CA ILE A 62 30.449 -12.405 59.337 1.00 12.04 C ATOM 474 C ILE A 62 31.788 -12.262 58.593 1.00 16.15 C ATOM 475 O ILE A 62 32.186 -11.134 58.278 1.00 16.13 O ATOM 476 CB ILE A 62 29.317 -12.872 58.354 1.00 14.16 C ATOM 477 CG1 ILE A 62 29.025 -11.846 57.208 1.00 13.05 C ATOM 478 CG2 ILE A 62 28.065 -13.377 59.083 1.00 14.86 C ATOM 479 CD1 ILE A 62 28.014 -12.365 56.100 1.00 16.13 C ATOM 480 H ILE A 62 30.188 -10.263 59.501 1.00 0.00 H ATOM 481 N PRO A 63 32.484 -13.366 58.238 1.00 14.83 N ATOM 482 CA PRO A 63 33.670 -13.214 57.378 1.00 14.07 C ATOM 483 C PRO A 63 33.224 -12.790 55.961 1.00 17.08 C ATOM 484 O PRO A 63 32.214 -13.288 55.456 1.00 17.40 O ATOM 485 CB PRO A 63 34.309 -14.603 57.408 1.00 17.04 C ATOM 486 CG PRO A 63 33.182 -15.538 57.666 1.00 21.64 C ATOM 487 CD PRO A 63 32.197 -14.790 58.530 1.00 16.44 C ATOM 488 N VAL A 64 33.916 -11.805 55.355 1.00 13.09 N ATOM 489 CA VAL A 64 33.609 -11.314 54.002 1.00 11.39 C ATOM 490 C VAL A 64 34.757 -11.705 53.079 1.00 18.67 C ATOM 491 O VAL A 64 35.870 -11.195 53.254 1.00 19.00 O ATOM 492 CB VAL A 64 33.357 -9.796 54.029 1.00 14.34 C ATOM 493 CG1 VAL A 64 33.179 -9.224 52.622 1.00 14.93 C ATOM 494 CG2 VAL A 64 32.135 -9.504 54.887 1.00 14.00 C ATOM 495 H VAL A 64 34.708 -11.369 55.870 1.00 0.00 H ATOM 496 N THR A 65 34.480 -12.630 52.129 1.00 16.27 N ATOM 497 CA THR A 65 35.459 -13.234 51.197 1.00 18.43 C ATOM 498 C THR A 65 36.311 -12.162 50.516 1.00 24.02 C ATOM 499 O THR A 65 37.538 -12.192 50.650 1.00 23.57 O ATOM 500 CB THR A 65 34.740 -14.142 50.191 1.00 22.81 C ATOM 501 OG1 THR A 65 34.095 -15.174 50.930 1.00 21.20 O ATOM 502 CG2 THR A 65 35.693 -14.786 49.186 1.00 25.00 C ATOM 503 HG1 THR A 65 33.445 -14.771 51.559 1.00 0.00 H ATOM 504 H THR A 65 33.492 -12.944 52.047 1.00 0.00 H ATOM 505 N LEU A 66 35.657 -11.196 49.845 1.00 22.85 N ATOM 506 CA LEU A 66 36.296 -10.114 49.107 1.00 24.42 C ATOM 507 C LEU A 66 37.283 -9.269 49.952 1.00 31.77 C ATOM 508 O LEU A 66 38.282 -8.795 49.409 1.00 32.73 O ATOM 509 CB LEU A 66 35.213 -9.222 48.491 1.00 24.20 C ATOM 510 CG LEU A 66 35.555 -8.497 47.207 1.00 29.60 C ATOM 511 CD1 LEU A 66 36.515 -9.271 46.358 1.00 30.50 C ATOM 512 CD2 LEU A 66 34.318 -8.159 46.419 1.00 29.61 C ATOM 513 H LEU A 66 34.617 -11.224 49.854 1.00 0.00 H ATOM 514 N ASN A 67 37.048 -9.136 51.266 1.00 29.43 N ATOM 515 CA ASN A 67 37.952 -8.405 52.149 1.00 29.98 C ATOM 516 C ASN A 67 38.923 -9.358 52.886 1.00 33.87 C ATOM 517 O ASN A 67 39.116 -9.200 54.091 1.00 34.03 O ATOM 518 CB ASN A 67 37.150 -7.575 53.154 1.00 30.07 C ATOM 519 CG ASN A 67 36.817 -6.182 52.699 1.00 49.29 C ATOM 520 OD1 ASN A 67 37.636 -5.262 52.786 1.00 47.71 O ATOM 521 ND2 ASN A 67 35.586 -5.983 52.256 1.00 34.71 N ATOM 522 HD22 ASN A 67 34.920 -6.780 52.195 1.00 0.00 H ATOM 523 HD21 ASN A 67 35.284 -5.030 51.969 1.00 0.00 H ATOM 524 H ASN A 67 36.193 -9.568 51.669 1.00 0.00 H ATOM 525 N MET A 68 39.556 -10.327 52.161 1.00 30.28 N ATOM 526 CA MET A 68 40.530 -11.306 52.708 1.00 30.29 C ATOM 527 C MET A 68 39.907 -12.142 53.881 1.00 31.74 C ATOM 528 O MET A 68 40.581 -12.453 54.875 1.00 31.33 O ATOM 529 CB MET A 68 41.837 -10.579 53.140 1.00 33.23 C ATOM 530 CG MET A 68 43.045 -11.491 53.311 1.00 38.38 C ATOM 531 SD MET A 68 44.615 -10.624 53.578 1.00 43.81 S ATOM 532 CE MET A 68 44.275 -9.756 55.076 1.00 39.99 C ATOM 533 H MET A 68 39.339 -10.384 51.146 1.00 0.00 H ATOM 534 N LYS A 69 38.603 -12.490 53.739 1.00 25.50 N ATOM 535 CA LYS A 69 37.782 -13.265 54.687 1.00 24.68 C ATOM 536 C LYS A 69 37.715 -12.599 56.077 1.00 29.06 C ATOM 537 O LYS A 69 37.445 -13.273 57.068 1.00 28.98 O ATOM 538 CB LYS A 69 38.246 -14.728 54.798 1.00 27.21 C ATOM 539 CG LYS A 69 38.122 -15.525 53.509 1.00 32.18 C ATOM 540 CD LYS A 69 37.889 -17.001 53.783 1.00 33.79 C ATOM 541 H LYS A 69 38.132 -12.176 52.867 1.00 0.00 H ATOM 542 N MET A 70 37.912 -11.264 56.136 1.00 25.70 N ATOM 543 CA MET A 70 37.891 -10.495 57.374 1.00 24.66 C ATOM 544 C MET A 70 36.483 -10.430 57.973 1.00 26.26 C ATOM 545 O MET A 70 35.506 -10.317 57.229 1.00 24.31 O ATOM 546 CB MET A 70 38.436 -9.086 57.137 1.00 26.83 C ATOM 547 H MET A 70 38.089 -10.755 55.246 1.00 0.00 H ATOM 548 N VAL A 71 36.381 -10.524 59.317 1.00 22.88 N ATOM 549 CA VAL A 71 35.100 -10.469 60.021 1.00 21.31 C ATOM 550 C VAL A 71 34.663 -9.026 60.146 1.00 25.11 C ATOM 551 O VAL A 71 35.394 -8.205 60.706 1.00 25.18 O ATOM 552 CB VAL A 71 35.138 -11.168 61.391 1.00 25.63 C ATOM 553 H VAL A 71 37.251 -10.640 59.875 1.00 0.00 H ATOM 554 N MET A 72 33.461 -8.712 59.629 1.00 19.36 N ATOM 555 CA MET A 72 32.883 -7.366 59.683 1.00 17.27 C ATOM 556 C MET A 72 31.351 -7.402 59.548 1.00 17.28 C ATOM 557 O MET A 72 30.806 -8.394 59.076 1.00 15.83 O ATOM 558 CB MET A 72 33.468 -6.493 58.556 1.00 19.58 C ATOM 559 CG MET A 72 33.167 -7.057 57.186 1.00 22.16 C ATOM 560 SD MET A 72 33.914 -6.158 55.832 1.00 26.75 S ATOM 561 CE MET A 72 35.673 -6.368 56.234 1.00 24.70 C ATOM 562 H MET A 72 32.913 -9.465 59.166 1.00 0.00 H ATOM 563 N PRO A 73 30.638 -6.304 59.878 1.00 13.39 N ATOM 564 CA PRO A 73 29.188 -6.295 59.695 1.00 10.81 C ATOM 565 C PRO A 73 28.846 -6.376 58.202 1.00 12.08 C ATOM 566 O PRO A 73 29.335 -5.579 57.391 1.00 10.11 O ATOM 567 CB PRO A 73 28.769 -4.976 60.345 1.00 12.24 C ATOM 568 CG PRO A 73 29.872 -4.632 61.261 1.00 18.28 C ATOM 569 CD PRO A 73 31.083 -5.040 60.495 1.00 15.20 C ATOM 570 N SER A 74 28.023 -7.359 57.849 1.00 9.28 N ATOM 571 CA SER A 74 27.616 -7.609 56.458 1.00 9.30 C ATOM 572 C SER A 74 26.326 -8.409 56.406 1.00 13.40 C ATOM 573 O SER A 74 26.170 -9.381 57.161 1.00 12.59 O ATOM 574 CB SER A 74 28.723 -8.361 55.734 1.00 13.44 C ATOM 575 OG SER A 74 28.431 -8.451 54.350 1.00 14.64 O ATOM 576 HG SER A 74 27.576 -8.934 54.225 1.00 0.00 H ATOM 577 H SER A 74 27.649 -7.982 58.593 1.00 0.00 H ATOM 578 N TRP A 75 25.426 -8.049 55.480 1.00 9.36 N ATOM 579 CA TRP A 75 24.122 -8.723 55.337 1.00 9.02 C ATOM 580 C TRP A 75 24.261 -10.089 54.698 1.00 11.95 C ATOM 581 O TRP A 75 23.374 -10.935 54.865 1.00 11.01 O ATOM 582 CB TRP A 75 23.162 -7.861 54.509 1.00 6.83 C ATOM 583 CG TRP A 75 22.828 -6.584 55.218 1.00 6.54 C ATOM 584 CD1 TRP A 75 23.265 -5.324 54.903 1.00 9.42 C ATOM 585 CD2 TRP A 75 22.043 -6.454 56.410 1.00 5.46 C ATOM 586 NE1 TRP A 75 22.806 -4.422 55.836 1.00 7.94 N ATOM 587 CE2 TRP A 75 22.082 -5.096 56.790 1.00 8.72 C ATOM 588 CE3 TRP A 75 21.411 -7.383 57.268 1.00 6.25 C ATOM 589 CZ2 TRP A 75 21.417 -4.616 57.938 1.00 6.82 C ATOM 590 CZ3 TRP A 75 20.707 -6.905 58.361 1.00 6.94 C ATOM 591 CH2 TRP A 75 20.695 -5.529 58.673 1.00 7.19 C ATOM 592 HE1 TRP A 75 22.979 -3.397 55.821 1.00 0.00 H ATOM 593 H TRP A 75 25.656 -7.264 54.838 1.00 0.00 H ATOM 594 N PHE A 76 25.334 -10.274 53.887 1.00 8.84 N ATOM 595 CA PHE A 76 25.649 -11.550 53.260 1.00 8.99 C ATOM 596 C PHE A 76 27.100 -11.497 52.738 1.00 12.68 C ATOM 597 O PHE A 76 27.719 -10.428 52.797 1.00 11.64 O ATOM 598 CB PHE A 76 24.628 -11.905 52.157 1.00 8.68 C ATOM 599 CG PHE A 76 24.237 -10.768 51.238 1.00 8.23 C ATOM 600 CD1 PHE A 76 25.030 -10.429 50.150 1.00 11.31 C ATOM 601 CD2 PHE A 76 23.096 -10.014 51.484 1.00 10.44 C ATOM 602 CE1 PHE A 76 24.655 -9.388 49.282 1.00 12.20 C ATOM 603 CE2 PHE A 76 22.733 -8.959 50.634 1.00 11.57 C ATOM 604 CZ PHE A 76 23.516 -8.647 49.544 1.00 8.99 C ATOM 605 H PHE A 76 25.962 -9.465 53.705 1.00 0.00 H ATOM 606 N ASP A 77 27.665 -12.632 52.273 1.00 11.19 N ATOM 607 CA ASP A 77 29.043 -12.614 51.778 1.00 10.32 C ATOM 608 C ASP A 77 29.141 -11.858 50.435 1.00 12.85 C ATOM 609 O ASP A 77 28.151 -11.807 49.691 1.00 9.73 O ATOM 610 CB ASP A 77 29.570 -14.049 51.615 1.00 13.38 C ATOM 611 CG ASP A 77 31.077 -14.138 51.526 1.00 19.95 C ATOM 612 OD1 ASP A 77 31.751 -13.130 51.834 1.00 17.82 O ATOM 613 OD2 ASP A 77 31.578 -15.190 51.106 1.00 22.24 O ATOM 614 H ASP A 77 27.122 -13.519 52.266 1.00 0.00 H ATOM 615 N LEU A 78 30.350 -11.301 50.112 1.00 9.49 N ATOM 616 CA LEU A 78 30.564 -10.594 48.843 1.00 8.34 C ATOM 617 C LEU A 78 31.830 -11.167 48.208 1.00 12.16 C ATOM 618 O LEU A 78 32.802 -11.417 48.927 1.00 12.05 O ATOM 619 CB LEU A 78 30.670 -9.068 49.010 1.00 7.74 C ATOM 620 CG LEU A 78 29.529 -8.345 49.718 1.00 11.34 C ATOM 621 CD1 LEU A 78 29.962 -6.949 50.095 1.00 11.00 C ATOM 622 CD2 LEU A 78 28.287 -8.287 48.847 1.00 13.40 C ATOM 623 H LEU A 78 31.139 -11.381 50.785 1.00 0.00 H ATOM 624 N MET A 79 31.792 -11.433 46.888 1.00 10.18 N ATOM 625 CA MET A 79 32.906 -12.079 46.195 1.00 12.08 C ATOM 626 C MET A 79 33.459 -11.281 45.012 1.00 15.63 C ATOM 627 O MET A 79 34.671 -11.344 44.756 1.00 15.52 O ATOM 628 CB MET A 79 32.498 -13.487 45.728 1.00 15.70 C ATOM 629 CG MET A 79 32.369 -14.448 46.898 1.00 21.09 C ATOM 630 SD MET A 79 31.418 -15.916 46.506 1.00 27.13 S ATOM 631 CE MET A 79 29.797 -15.350 46.851 1.00 22.47 C ATOM 632 H MET A 79 30.945 -11.171 46.345 1.00 0.00 H ATOM 633 N GLY A 80 32.598 -10.579 44.289 1.00 13.08 N ATOM 634 CA GLY A 80 33.022 -9.797 43.132 1.00 13.26 C ATOM 635 C GLY A 80 32.258 -8.496 42.956 1.00 14.85 C ATOM 636 O GLY A 80 31.229 -8.282 43.607 1.00 14.48 O ATOM 637 H GLY A 80 31.592 -10.586 44.554 1.00 0.00 H ATOM 638 N LEU A 81 32.784 -7.600 42.103 1.00 14.99 N ATOM 639 CA LEU A 81 32.218 -6.268 41.862 1.00 17.17 C ATOM 640 C LEU A 81 31.534 -6.110 40.480 1.00 21.74 C ATOM 641 O LEU A 81 30.962 -5.049 40.225 1.00 23.29 O ATOM 642 CB LEU A 81 33.317 -5.207 42.004 1.00 18.48 C ATOM 643 CG LEU A 81 33.611 -4.715 43.421 1.00 24.78 C ATOM 644 CD1 LEU A 81 35.074 -4.393 43.581 1.00 26.53 C ATOM 645 CD2 LEU A 81 32.769 -3.489 43.762 1.00 28.94 C ATOM 646 H LEU A 81 33.644 -7.867 41.583 1.00 0.00 H ATOM 647 N SER A 82 31.571 -7.148 39.607 1.00 18.73 N ATOM 648 CA SER A 82 30.935 -7.104 38.289 1.00 17.18 C ATOM 649 C SER A 82 29.546 -7.761 38.340 1.00 17.31 C ATOM 650 O SER A 82 29.341 -8.647 39.157 1.00 14.83 O ATOM 651 CB SER A 82 31.822 -7.746 37.225 1.00 20.68 C ATOM 652 OG SER A 82 31.968 -9.144 37.420 1.00 28.54 O ATOM 653 HG SER A 82 32.379 -9.311 38.305 1.00 0.00 H ATOM 654 H SER A 82 32.074 -8.014 39.887 1.00 0.00 H ATOM 655 N PRO A 83 28.585 -7.367 37.466 1.00 16.53 N ATOM 656 CA PRO A 83 27.225 -7.953 37.540 1.00 17.38 C ATOM 657 C PRO A 83 27.161 -9.479 37.363 1.00 25.74 C ATOM 658 O PRO A 83 26.189 -10.100 37.800 1.00 26.60 O ATOM 659 CB PRO A 83 26.476 -7.259 36.386 1.00 18.83 C ATOM 660 CG PRO A 83 27.224 -5.998 36.149 1.00 22.96 C ATOM 661 CD PRO A 83 28.662 -6.332 36.408 1.00 18.71 C ATOM 662 N ASP A 84 28.192 -10.076 36.748 1.00 24.89 N ATOM 663 CA ASP A 84 28.262 -11.518 36.496 1.00 25.52 C ATOM 664 C ASP A 84 29.017 -12.273 37.607 1.00 26.40 C ATOM 665 O ASP A 84 29.126 -13.501 37.541 1.00 26.82 O ATOM 666 CB ASP A 84 28.924 -11.785 35.128 1.00 28.81 C ATOM 667 CG ASP A 84 28.211 -11.154 33.948 1.00 44.54 C ATOM 668 OD1 ASP A 84 28.304 -9.918 33.791 1.00 45.70 O ATOM 669 OD2 ASP A 84 27.561 -11.898 33.177 1.00 53.81 O ATOM 670 H ASP A 84 28.986 -9.483 36.432 1.00 0.00 H ATOM 671 N ALA A 85 29.523 -11.551 38.624 1.00 19.14 N ATOM 672 CA ALA A 85 30.287 -12.158 39.717 1.00 18.00 C ATOM 673 C ALA A 85 29.416 -13.102 40.538 1.00 17.36 C ATOM 674 O ALA A 85 28.203 -12.885 40.605 1.00 14.94 O ATOM 675 CB ALA A 85 30.863 -11.074 40.614 1.00 18.46 C ATOM 676 H ALA A 85 29.366 -10.523 38.634 1.00 0.00 H ATOM 677 N PRO A 86 29.978 -14.175 41.143 1.00 14.20 N ATOM 678 CA PRO A 86 29.132 -15.062 41.961 1.00 13.29 C ATOM 679 C PRO A 86 28.567 -14.316 43.153 1.00 15.69 C ATOM 680 O PRO A 86 29.279 -13.506 43.738 1.00 13.45 O ATOM 681 CB PRO A 86 30.102 -16.156 42.435 1.00 16.35 C ATOM 682 CG PRO A 86 31.446 -15.567 42.313 1.00 22.15 C ATOM 683 CD PRO A 86 31.389 -14.612 41.151 1.00 17.60 C ATOM 684 N GLU A 87 27.297 -14.554 43.483 1.00 11.71 N ATOM 685 CA GLU A 87 26.696 -13.952 44.663 1.00 10.49 C ATOM 686 C GLU A 87 26.386 -15.058 45.648 1.00 12.74 C ATOM 687 O GLU A 87 26.277 -16.234 45.262 1.00 13.46 O ATOM 688 CB GLU A 87 25.435 -13.138 44.333 1.00 11.04 C ATOM 689 CG GLU A 87 25.687 -11.840 43.578 1.00 13.95 C ATOM 690 CD GLU A 87 24.444 -10.991 43.377 1.00 13.39 C ATOM 691 OE1 GLU A 87 24.320 -9.945 44.056 1.00 16.15 O ATOM 692 OE2 GLU A 87 23.607 -11.357 42.521 1.00 12.25 O ATOM 693 H GLU A 87 26.725 -15.183 42.884 1.00 0.00 H ATOM 694 N ASP A 88 26.256 -14.675 46.926 1.00 9.48 N ATOM 695 CA ASP A 88 25.975 -15.578 48.054 1.00 9.43 C ATOM 696 C ASP A 88 24.470 -15.870 48.098 1.00 14.49 C ATOM 697 O ASP A 88 23.751 -15.312 48.942 1.00 14.05 O ATOM 698 CB ASP A 88 26.465 -14.916 49.366 1.00 10.36 C ATOM 699 CG ASP A 88 26.239 -15.710 50.644 1.00 18.49 C ATOM 700 OD1 ASP A 88 25.849 -16.900 50.550 1.00 17.54 O ATOM 701 OD2 ASP A 88 26.438 -15.139 51.738 1.00 17.68 O ATOM 702 H ASP A 88 26.362 -13.662 47.137 1.00 0.00 H ATOM 703 N GLU A 89 23.989 -16.751 47.186 1.00 12.96 N ATOM 704 CA GLU A 89 22.554 -17.070 47.091 1.00 11.82 C ATOM 705 C GLU A 89 21.948 -17.501 48.412 1.00 13.92 C ATOM 706 O GLU A 89 20.893 -16.987 48.791 1.00 12.78 O ATOM 707 CB GLU A 89 22.306 -18.183 46.060 1.00 12.93 C ATOM 708 CG GLU A 89 20.826 -18.374 45.789 1.00 21.99 C ATOM 709 CD GLU A 89 20.511 -19.382 44.702 1.00 42.04 C ATOM 710 OE1 GLU A 89 21.438 -19.770 43.957 1.00 33.84 O ATOM 711 OE2 GLU A 89 19.332 -19.790 44.601 1.00 39.50 O ATOM 712 H GLU A 89 24.653 -17.215 46.534 1.00 0.00 H ATOM 713 N ALA A 90 22.580 -18.465 49.097 1.00 14.24 N ATOM 714 CA ALA A 90 22.082 -18.958 50.400 1.00 15.23 C ATOM 715 C ALA A 90 22.034 -17.839 51.452 1.00 18.04 C ATOM 716 O ALA A 90 21.064 -17.766 52.215 1.00 17.29 O ATOM 717 CB ALA A 90 22.955 -20.099 50.899 1.00 16.85 C ATOM 718 H ALA A 90 23.447 -18.879 48.700 1.00 0.00 H ATOM 719 N GLY A 91 23.058 -16.972 51.462 1.00 12.77 N ATOM 720 CA GLY A 91 23.174 -15.864 52.416 1.00 11.41 C ATOM 721 C GLY A 91 22.152 -14.762 52.195 1.00 13.77 C ATOM 722 O GLY A 91 21.503 -14.301 53.143 1.00 12.81 O ATOM 723 H GLY A 91 23.811 -17.092 50.755 1.00 0.00 H ATOM 724 N ILE A 92 21.964 -14.378 50.924 1.00 9.73 N ATOM 725 CA ILE A 92 20.979 -13.394 50.481 1.00 8.89 C ATOM 726 C ILE A 92 19.564 -13.864 50.906 1.00 12.63 C ATOM 727 O ILE A 92 18.843 -13.093 51.530 1.00 14.05 O ATOM 728 CB ILE A 92 21.112 -13.187 48.940 1.00 10.87 C ATOM 729 CG1 ILE A 92 22.396 -12.412 48.624 1.00 9.42 C ATOM 730 CG2 ILE A 92 19.889 -12.445 48.390 1.00 12.44 C ATOM 731 CD1 ILE A 92 22.943 -12.447 47.104 1.00 11.38 C ATOM 732 H ILE A 92 22.566 -14.815 50.197 1.00 0.00 H ATOM 733 N LYS A 93 19.184 -15.123 50.587 1.00 13.09 N ATOM 734 CA LYS A 93 17.860 -15.696 50.945 1.00 12.16 C ATOM 735 C LYS A 93 17.621 -15.806 52.458 1.00 15.91 C ATOM 736 O LYS A 93 16.484 -15.630 52.898 1.00 13.91 O ATOM 737 CB LYS A 93 17.697 -17.095 50.330 1.00 14.72 C ATOM 738 CG LYS A 93 17.584 -17.078 48.808 1.00 13.70 C ATOM 739 CD LYS A 93 17.490 -18.485 48.291 1.00 19.95 C ATOM 740 CE LYS A 93 16.998 -18.522 46.873 1.00 34.15 C ATOM 741 NZ LYS A 93 16.917 -19.918 46.374 1.00 26.83 N ATOM 742 HZ1 LYS A 93 17.861 -20.354 46.412 1.00 0.00 H ATOM 743 HZ2 LYS A 93 16.259 -20.460 46.970 1.00 0.00 H ATOM 744 HZ3 LYS A 93 16.574 -19.915 45.392 1.00 0.00 H ATOM 745 H LYS A 93 19.854 -15.722 50.063 1.00 0.00 H ATOM 746 N LYS A 94 18.668 -16.139 53.251 1.00 14.67 N ATOM 747 CA LYS A 94 18.530 -16.280 54.706 1.00 14.03 C ATOM 748 C LYS A 94 18.305 -14.904 55.325 1.00 15.39 C ATOM 749 O LYS A 94 17.493 -14.760 56.243 1.00 15.51 O ATOM 750 CB LYS A 94 19.766 -16.974 55.303 1.00 17.00 C ATOM 751 CG LYS A 94 19.743 -17.113 56.827 1.00 21.21 C ATOM 752 CD LYS A 94 21.105 -17.535 57.392 1.00 28.73 C ATOM 753 CE LYS A 94 22.126 -16.414 57.377 1.00 31.74 C ATOM 754 H LYS A 94 19.599 -16.300 52.815 1.00 0.00 H ATOM 755 N ALA A 95 19.041 -13.892 54.817 1.00 12.09 N ATOM 756 CA ALA A 95 18.944 -12.517 55.294 1.00 11.23 C ATOM 757 C ALA A 95 17.575 -11.954 54.927 1.00 14.54 C ATOM 758 O ALA A 95 16.953 -11.304 55.773 1.00 12.59 O ATOM 759 CB ALA A 95 20.060 -11.666 54.701 1.00 11.51 C ATOM 760 H ALA A 95 19.709 -14.103 54.049 1.00 0.00 H ATOM 761 N ALA A 96 17.071 -12.269 53.699 1.00 11.59 N ATOM 762 CA ALA A 96 15.731 -11.878 53.248 1.00 10.36 C ATOM 763 C ALA A 96 14.669 -12.513 54.178 1.00 14.32 C ATOM 764 O ALA A 96 13.738 -11.809 54.578 1.00 13.35 O ATOM 765 CB ALA A 96 15.503 -12.277 51.787 1.00 11.81 C ATOM 766 H ALA A 96 17.669 -12.816 53.047 1.00 0.00 H ATOM 767 N GLU A 97 14.839 -13.801 54.586 1.00 12.12 N ATOM 768 CA GLU A 97 13.931 -14.454 55.541 1.00 11.97 C ATOM 769 C GLU A 97 13.899 -13.700 56.884 1.00 16.26 C ATOM 770 O GLU A 97 12.814 -13.484 57.423 1.00 17.10 O ATOM 771 CB GLU A 97 14.309 -15.922 55.788 1.00 13.98 C ATOM 772 CG GLU A 97 13.806 -16.873 54.714 1.00 28.95 C ATOM 773 CD GLU A 97 12.326 -17.201 54.775 1.00 54.61 C ATOM 774 OE1 GLU A 97 11.965 -18.184 55.461 1.00 61.16 O ATOM 775 OE2 GLU A 97 11.530 -16.485 54.127 1.00 46.14 O ATOM 776 H GLU A 97 15.642 -14.344 54.208 1.00 0.00 H ATOM 777 N ASN A 98 15.089 -13.287 57.417 1.00 13.07 N ATOM 778 CA ASN A 98 15.184 -12.538 58.684 1.00 12.21 C ATOM 779 C ASN A 98 14.449 -11.195 58.567 1.00 14.97 C ATOM 780 O ASN A 98 13.693 -10.845 59.476 1.00 14.95 O ATOM 781 CB ASN A 98 16.637 -12.348 59.113 1.00 15.83 C ATOM 782 CG ASN A 98 17.346 -13.658 59.425 1.00 31.04 C ATOM 783 OD1 ASN A 98 16.744 -14.640 59.872 1.00 20.77 O ATOM 784 ND2 ASN A 98 18.641 -13.714 59.181 1.00 22.97 N ATOM 785 HD22 ASN A 98 19.136 -12.880 58.805 1.00 0.00 H ATOM 786 HD21 ASN A 98 19.167 -14.592 59.365 1.00 0.00 H ATOM 787 H ASN A 98 15.966 -13.511 56.906 1.00 0.00 H ATOM 788 N ILE A 99 14.575 -10.505 57.416 1.00 12.08 N ATOM 789 CA ILE A 99 13.848 -9.252 57.172 1.00 10.48 C ATOM 790 C ILE A 99 12.342 -9.540 57.041 1.00 13.84 C ATOM 791 O ILE A 99 11.547 -8.819 57.634 1.00 13.48 O ATOM 792 CB ILE A 99 14.385 -8.447 55.960 1.00 12.28 C ATOM 793 CG1 ILE A 99 15.926 -8.197 56.044 1.00 12.60 C ATOM 794 CG2 ILE A 99 13.607 -7.125 55.790 1.00 10.46 C ATOM 795 CD1 ILE A 99 16.443 -7.429 57.365 1.00 17.28 C ATOM 796 H ILE A 99 15.208 -10.872 56.676 1.00 0.00 H ATOM 797 N LYS A 100 11.950 -10.606 56.310 1.00 11.17 N ATOM 798 CA LYS A 100 10.529 -10.961 56.166 1.00 9.84 C ATOM 799 C LYS A 100 9.876 -11.250 57.563 1.00 13.48 C ATOM 800 O LYS A 100 8.681 -11.020 57.720 1.00 12.16 O ATOM 801 CB LYS A 100 10.372 -12.160 55.205 1.00 11.98 C ATOM 802 CG LYS A 100 10.487 -11.756 53.744 1.00 13.16 C ATOM 803 CD LYS A 100 10.683 -12.955 52.831 1.00 19.95 C ATOM 804 CE LYS A 100 11.150 -12.488 51.484 1.00 16.57 C ATOM 805 NZ LYS A 100 11.317 -13.622 50.533 1.00 29.87 N ATOM 806 HZ1 LYS A 100 12.021 -14.288 50.910 1.00 0.00 H ATOM 807 HZ2 LYS A 100 10.406 -14.109 50.413 1.00 0.00 H ATOM 808 HZ3 LYS A 100 11.641 -13.258 49.614 1.00 0.00 H ATOM 809 H LYS A 100 12.669 -11.190 55.838 1.00 0.00 H ATOM 810 N ALA A 101 10.654 -11.735 58.555 1.00 10.36 N ATOM 811 CA ALA A 101 10.152 -11.978 59.924 1.00 10.16 C ATOM 812 C ALA A 101 9.878 -10.633 60.599 1.00 13.57 C ATOM 813 O ALA A 101 8.913 -10.494 61.362 1.00 13.66 O ATOM 814 CB ALA A 101 11.162 -12.778 60.742 1.00 11.04 C ATOM 815 H ALA A 101 11.651 -11.947 58.346 1.00 0.00 H ATOM 816 N LEU A 102 10.749 -9.638 60.318 1.00 10.84 N ATOM 817 CA LEU A 102 10.556 -8.299 60.877 1.00 11.55 C ATOM 818 C LEU A 102 9.260 -7.703 60.299 1.00 13.67 C ATOM 819 O LEU A 102 8.485 -7.107 61.054 1.00 12.09 O ATOM 820 CB LEU A 102 11.774 -7.400 60.575 1.00 12.67 C ATOM 821 CG LEU A 102 11.817 -5.982 61.203 1.00 20.05 C ATOM 822 CD1 LEU A 102 11.419 -5.969 62.704 1.00 21.80 C ATOM 823 CD2 LEU A 102 13.224 -5.388 61.080 1.00 23.42 C ATOM 824 H LEU A 102 11.563 -9.826 59.699 1.00 0.00 H ATOM 825 N ILE A 103 9.024 -7.886 58.983 1.00 8.20 N ATOM 826 CA ILE A 103 7.808 -7.399 58.320 1.00 8.34 C ATOM 827 C ILE A 103 6.576 -8.015 59.005 1.00 12.67 C ATOM 828 O ILE A 103 5.703 -7.274 59.457 1.00 12.85 O ATOM 829 CB ILE A 103 7.807 -7.680 56.795 1.00 11.05 C ATOM 830 CG1 ILE A 103 8.919 -6.858 56.085 1.00 11.09 C ATOM 831 CG2 ILE A 103 6.410 -7.438 56.149 1.00 11.30 C ATOM 832 CD1 ILE A 103 9.381 -7.408 54.780 1.00 10.94 C ATOM 833 H ILE A 103 9.733 -8.393 58.415 1.00 0.00 H ATOM 834 N GLU A 104 6.545 -9.349 59.123 1.00 11.38 N ATOM 835 CA GLU A 104 5.430 -10.083 59.764 1.00 11.00 C ATOM 836 C GLU A 104 5.226 -9.698 61.237 1.00 15.58 C ATOM 837 O GLU A 104 4.091 -9.716 61.727 1.00 14.31 O ATOM 838 CB GLU A 104 5.632 -11.588 59.646 1.00 12.71 C ATOM 839 CG GLU A 104 5.400 -12.070 58.227 1.00 17.94 C ATOM 840 H GLU A 104 7.344 -9.897 58.745 1.00 0.00 H ATOM 841 N HIS A 105 6.301 -9.339 61.938 1.00 14.42 N ATOM 842 CA HIS A 105 6.197 -8.883 63.319 1.00 14.10 C ATOM 843 C HIS A 105 5.436 -7.559 63.382 1.00 13.88 C ATOM 844 O HIS A 105 4.532 -7.398 64.218 1.00 11.98 O ATOM 845 CB HIS A 105 7.583 -8.722 63.946 1.00 15.17 C ATOM 846 CG HIS A 105 7.515 -8.154 65.319 1.00 18.73 C ATOM 847 ND1 HIS A 105 7.812 -6.826 65.560 1.00 20.41 N ATOM 848 CD2 HIS A 105 7.098 -8.732 66.470 1.00 19.86 C ATOM 849 CE1 HIS A 105 7.598 -6.649 66.854 1.00 19.63 C ATOM 850 NE2 HIS A 105 7.159 -7.768 67.439 1.00 19.66 N ATOM 851 H HIS A 105 7.238 -9.385 61.489 1.00 0.00 H ATOM 852 N GLU A 106 5.791 -6.604 62.483 1.00 11.34 N ATOM 853 CA GLU A 106 5.125 -5.300 62.454 1.00 12.10 C ATOM 854 C GLU A 106 3.630 -5.479 62.099 1.00 15.38 C ATOM 855 O GLU A 106 2.760 -4.838 62.713 1.00 15.32 O ATOM 856 CB GLU A 106 5.850 -4.342 61.486 1.00 13.46 C ATOM 857 CG GLU A 106 7.314 -4.102 61.854 1.00 14.81 C ATOM 858 CD GLU A 106 7.596 -3.782 63.310 1.00 38.65 C ATOM 859 OE1 GLU A 106 7.106 -2.737 63.789 1.00 26.22 O ATOM 860 OE2 GLU A 106 8.299 -4.578 63.973 1.00 34.89 O ATOM 861 H GLU A 106 6.551 -6.803 61.802 1.00 0.00 H ATOM 862 N MET A 107 3.348 -6.440 61.218 1.00 13.09 N ATOM 863 CA MET A 107 1.996 -6.800 60.781 1.00 11.48 C ATOM 864 C MET A 107 1.173 -7.385 61.937 1.00 14.61 C ATOM 865 O MET A 107 0.039 -6.975 62.166 1.00 13.66 O ATOM 866 CB MET A 107 2.054 -7.778 59.618 1.00 13.10 C ATOM 867 CG MET A 107 2.477 -7.124 58.318 1.00 14.30 C ATOM 868 SD MET A 107 2.707 -8.364 57.028 1.00 15.04 S ATOM 869 CE MET A 107 0.971 -8.778 56.706 1.00 14.18 C ATOM 870 H MET A 107 4.144 -6.972 60.812 1.00 0.00 H ATOM 871 N LYS A 108 1.771 -8.323 62.689 1.00 12.39 N ATOM 872 CA LYS A 108 1.179 -8.975 63.866 1.00 12.66 C ATOM 873 C LYS A 108 0.783 -7.944 64.948 1.00 13.89 C ATOM 874 O LYS A 108 -0.165 -8.179 65.722 1.00 14.32 O ATOM 875 CB LYS A 108 2.215 -9.937 64.471 1.00 16.60 C ATOM 876 CG LYS A 108 2.232 -11.331 63.869 1.00 40.69 C ATOM 877 CD LYS A 108 3.176 -12.234 64.664 1.00 51.84 C ATOM 878 CE LYS A 108 3.432 -13.555 63.984 1.00 61.71 C ATOM 879 NZ LYS A 108 4.426 -14.364 64.735 1.00 70.35 N ATOM 880 HZ1 LYS A 108 5.323 -13.842 64.793 1.00 0.00 H ATOM 881 HZ2 LYS A 108 4.068 -14.548 65.694 1.00 0.00 H ATOM 882 HZ3 LYS A 108 4.580 -15.267 64.242 1.00 0.00 H ATOM 883 H LYS A 108 2.732 -8.612 62.416 1.00 0.00 H ATOM 884 N ASN A 109 1.519 -6.804 64.989 1.00 14.28 N ATOM 885 CA ASN A 109 1.367 -5.773 66.006 1.00 15.01 C ATOM 886 C ASN A 109 0.672 -4.476 65.527 1.00 23.24 C ATOM 887 O ASN A 109 0.786 -3.440 66.192 1.00 24.06 O ATOM 888 CB ASN A 109 2.707 -5.494 66.652 1.00 14.48 C ATOM 889 CG ASN A 109 3.080 -6.648 67.532 1.00 15.77 C ATOM 890 OD1 ASN A 109 2.525 -6.823 68.617 1.00 17.59 O ATOM 891 ND2 ASN A 109 3.898 -7.550 67.002 1.00 13.20 N ATOM 892 HD22 ASN A 109 4.349 -7.367 66.083 1.00 0.00 H ATOM 893 HD21 ASN A 109 4.088 -8.440 67.506 1.00 0.00 H ATOM 894 H ASN A 109 2.235 -6.658 64.249 1.00 0.00 H ATOM 895 N GLY A 110 -0.143 -4.583 64.481 1.00 19.38 N ATOM 896 CA GLY A 110 -1.013 -3.490 64.062 1.00 18.50 C ATOM 897 C GLY A 110 -0.623 -2.561 62.940 1.00 21.97 C ATOM 898 O GLY A 110 -1.350 -1.582 62.710 1.00 24.05 O ATOM 899 H GLY A 110 -0.160 -5.474 63.945 1.00 0.00 H ATOM 900 N ILE A 111 0.484 -2.853 62.224 1.00 14.08 N ATOM 901 CA ILE A 111 0.917 -2.018 61.097 1.00 12.18 C ATOM 902 C ILE A 111 0.595 -2.792 59.818 1.00 15.25 C ATOM 903 O ILE A 111 1.142 -3.870 59.625 1.00 15.74 O ATOM 904 CB ILE A 111 2.405 -1.595 61.148 1.00 13.69 C ATOM 905 CG1 ILE A 111 2.764 -0.809 62.463 1.00 14.93 C ATOM 906 CG2 ILE A 111 2.738 -0.767 59.883 1.00 13.57 C ATOM 907 CD1 ILE A 111 4.272 -0.679 62.763 1.00 27.83 C ATOM 908 H ILE A 111 1.045 -3.691 62.478 1.00 0.00 H ATOM 909 N PRO A 112 -0.304 -2.290 58.951 1.00 13.68 N ATOM 910 CA PRO A 112 -0.625 -3.025 57.709 1.00 12.42 C ATOM 911 C PRO A 112 0.594 -3.164 56.796 1.00 13.23 C ATOM 912 O PRO A 112 1.446 -2.274 56.792 1.00 12.48 O ATOM 913 CB PRO A 112 -1.701 -2.151 57.040 1.00 14.96 C ATOM 914 CG PRO A 112 -2.137 -1.208 58.043 1.00 20.12 C ATOM 915 CD PRO A 112 -1.050 -1.026 59.033 1.00 15.49 C ATOM 916 N ALA A 113 0.695 -4.269 56.050 1.00 9.59 N ATOM 917 CA ALA A 113 1.831 -4.416 55.148 1.00 10.28 C ATOM 918 C ALA A 113 1.876 -3.241 54.161 1.00 10.55 C ATOM 919 O ALA A 113 2.967 -2.794 53.867 1.00 11.27 O ATOM 920 CB ALA A 113 1.774 -5.754 54.404 1.00 12.76 C ATOM 921 H ALA A 113 -0.028 -5.014 56.112 1.00 0.00 H ATOM 922 N ASN A 114 0.707 -2.726 53.650 1.00 9.19 N ATOM 923 CA ASN A 114 0.753 -1.620 52.666 1.00 9.77 C ATOM 924 C ASN A 114 1.099 -0.268 53.338 1.00 11.93 C ATOM 925 O ASN A 114 1.024 0.775 52.682 1.00 10.72 O ATOM 926 CB ASN A 114 -0.535 -1.513 51.809 1.00 12.23 C ATOM 927 CG ASN A 114 -1.754 -0.917 52.512 1.00 27.66 C ATOM 928 OD1 ASN A 114 -1.795 -0.810 53.737 1.00 15.78 O ATOM 929 ND2 ASN A 114 -2.775 -0.493 51.749 1.00 14.21 N ATOM 930 HD22 ASN A 114 -2.726 -0.590 50.715 1.00 0.00 H ATOM 931 HD21 ASN A 114 -3.614 -0.068 52.193 1.00 0.00 H ATOM 932 H ASN A 114 -0.209 -3.113 53.955 1.00 0.00 H ATOM 933 N ARG A 115 1.554 -0.316 54.611 1.00 7.46 N ATOM 934 CA ARG A 115 2.059 0.830 55.375 1.00 7.28 C ATOM 935 C ARG A 115 3.538 0.584 55.794 1.00 9.83 C ATOM 936 O ARG A 115 4.056 1.319 56.634 1.00 7.69 O ATOM 937 CB ARG A 115 1.171 1.130 56.596 1.00 11.15 C ATOM 938 CG ARG A 115 -0.223 1.596 56.219 1.00 16.26 C ATOM 939 CD ARG A 115 -0.258 3.025 55.681 1.00 17.32 C ATOM 940 NE ARG A 115 -0.037 4.002 56.749 1.00 11.11 N ATOM 941 CZ ARG A 115 -0.066 5.324 56.591 1.00 20.18 C ATOM 942 NH1 ARG A 115 -0.306 5.855 55.393 1.00 9.30 N ATOM 943 NH2 ARG A 115 0.158 6.127 57.626 1.00 12.33 N ATOM 944 HE ARG A 115 0.157 3.636 57.703 1.00 0.00 H ATOM 945 HH12 ARG A 115 -0.327 6.888 55.277 1.00 0.00 H ATOM 946 HH11 ARG A 115 -0.472 5.236 54.574 1.00 0.00 H ATOM 947 HH22 ARG A 115 0.134 7.159 57.498 1.00 0.00 H ATOM 948 HH21 ARG A 115 0.357 5.724 58.564 1.00 0.00 H ATOM 949 H ARG A 115 1.545 -1.241 55.087 1.00 0.00 H ATOM 950 N ILE A 116 4.218 -0.440 55.191 1.00 7.86 N ATOM 951 CA ILE A 116 5.603 -0.820 55.479 1.00 6.92 C ATOM 952 C ILE A 116 6.452 -0.551 54.229 1.00 9.90 C ATOM 953 O ILE A 116 6.137 -1.047 53.137 1.00 8.31 O ATOM 954 CB ILE A 116 5.726 -2.314 55.940 1.00 11.33 C ATOM 955 CG1 ILE A 116 4.893 -2.560 57.219 1.00 11.92 C ATOM 956 CG2 ILE A 116 7.199 -2.727 56.133 1.00 15.18 C ATOM 957 CD1 ILE A 116 4.789 -4.058 57.747 1.00 7.12 C ATOM 958 H ILE A 116 3.710 -0.992 54.471 1.00 0.00 H ATOM 959 N VAL A 117 7.538 0.201 54.405 1.00 7.00 N ATOM 960 CA VAL A 117 8.482 0.494 53.302 1.00 5.20 C ATOM 961 C VAL A 117 9.790 -0.148 53.667 1.00 8.99 C ATOM 962 O VAL A 117 10.171 -0.112 54.844 1.00 8.63 O ATOM 963 CB VAL A 117 8.633 2.040 53.074 1.00 8.01 C ATOM 964 CG1 VAL A 117 9.853 2.398 52.218 1.00 6.91 C ATOM 965 CG2 VAL A 117 7.360 2.639 52.477 1.00 8.43 C ATOM 966 H VAL A 117 7.729 0.595 55.348 1.00 0.00 H ATOM 967 N LEU A 118 10.439 -0.832 52.700 1.00 4.92 N ATOM 968 CA LEU A 118 11.777 -1.379 52.925 1.00 7.59 C ATOM 969 C LEU A 118 12.787 -0.431 52.288 1.00 9.11 C ATOM 970 O LEU A 118 12.431 0.307 51.378 1.00 7.87 O ATOM 971 CB LEU A 118 11.901 -2.792 52.317 1.00 9.41 C ATOM 972 CG LEU A 118 11.752 -3.969 53.263 1.00 15.36 C ATOM 973 CD1 LEU A 118 10.615 -3.801 54.263 1.00 16.68 C ATOM 974 CD2 LEU A 118 11.717 -5.283 52.510 1.00 14.10 C ATOM 975 H LEU A 118 9.979 -0.972 51.778 1.00 0.00 H ATOM 976 N GLY A 119 13.993 -0.370 52.808 1.00 6.06 N ATOM 977 CA GLY A 119 14.978 0.499 52.169 1.00 6.39 C ATOM 978 C GLY A 119 16.401 0.200 52.582 1.00 9.37 C ATOM 979 O GLY A 119 16.652 -0.614 53.472 1.00 8.29 O ATOM 980 H GLY A 119 14.239 -0.926 53.652 1.00 0.00 H ATOM 981 N GLY A 120 17.336 0.855 51.936 1.00 7.06 N ATOM 982 CA GLY A 120 18.717 0.645 52.312 1.00 6.36 C ATOM 983 C GLY A 120 19.708 1.378 51.448 1.00 7.45 C ATOM 984 O GLY A 120 19.364 1.987 50.433 1.00 7.68 O ATOM 985 H GLY A 120 17.089 1.512 51.169 1.00 0.00 H ATOM 986 N PHE A 121 20.951 1.273 51.856 1.00 5.33 N ATOM 987 CA PHE A 121 22.098 1.854 51.168 1.00 5.35 C ATOM 988 C PHE A 121 23.000 0.735 50.710 1.00 8.75 C ATOM 989 O PHE A 121 23.364 -0.110 51.539 1.00 8.02 O ATOM 990 CB PHE A 121 22.881 2.806 52.100 1.00 5.76 C ATOM 991 CG PHE A 121 24.037 3.466 51.388 1.00 6.97 C ATOM 992 CD1 PHE A 121 23.827 4.556 50.547 1.00 10.00 C ATOM 993 CD2 PHE A 121 25.322 2.956 51.495 1.00 10.99 C ATOM 994 CE1 PHE A 121 24.886 5.131 49.843 1.00 11.01 C ATOM 995 CE2 PHE A 121 26.385 3.536 50.794 1.00 14.35 C ATOM 996 CZ PHE A 121 26.164 4.627 49.989 1.00 12.04 C ATOM 997 H PHE A 121 21.130 0.739 52.730 1.00 0.00 H ATOM 998 N SER A 122 23.443 0.789 49.433 1.00 8.11 N ATOM 999 CA SER A 122 24.392 -0.157 48.839 1.00 6.88 C ATOM 1000 C SER A 122 24.015 -1.606 49.161 1.00 9.64 C ATOM 1001 O SER A 122 22.906 -2.019 48.801 1.00 6.60 O ATOM 1002 CB SER A 122 25.813 0.189 49.257 1.00 12.61 C ATOM 1003 OG SER A 122 26.769 -0.474 48.451 1.00 12.70 O ATOM 1004 HG SER A 122 27.680 -0.227 48.750 1.00 0.00 H ATOM 1005 H SER A 122 23.085 1.557 48.830 1.00 0.00 H ATOM 1006 N GLN A 123 24.848 -2.357 49.923 1.00 7.86 N ATOM 1007 CA GLN A 123 24.509 -3.743 50.239 1.00 6.03 C ATOM 1008 C GLN A 123 23.111 -3.854 50.912 1.00 7.26 C ATOM 1009 O GLN A 123 22.372 -4.784 50.612 1.00 6.32 O ATOM 1010 CB GLN A 123 25.604 -4.389 51.107 1.00 6.50 C ATOM 1011 CG GLN A 123 25.448 -5.889 51.230 1.00 8.90 C ATOM 1012 CD GLN A 123 26.220 -6.407 52.402 1.00 14.90 C ATOM 1013 OE1 GLN A 123 26.183 -5.833 53.494 1.00 8.81 O ATOM 1014 NE2 GLN A 123 26.917 -7.517 52.182 1.00 11.94 N ATOM 1015 HE22 GLN A 123 26.910 -7.957 51.240 1.00 0.00 H ATOM 1016 HE21 GLN A 123 27.469 -7.946 52.952 1.00 0.00 H ATOM 1017 H GLN A 123 25.732 -1.945 50.284 1.00 0.00 H ATOM 1018 N GLY A 124 22.784 -2.937 51.831 1.00 5.30 N ATOM 1019 CA GLY A 124 21.493 -2.942 52.525 1.00 5.15 C ATOM 1020 C GLY A 124 20.336 -2.651 51.581 1.00 9.49 C ATOM 1021 O GLY A 124 19.278 -3.290 51.659 1.00 7.90 O ATOM 1022 H GLY A 124 23.473 -2.192 52.061 1.00 0.00 H ATOM 1023 N GLY A 125 20.554 -1.700 50.663 1.00 8.77 N ATOM 1024 CA GLY A 125 19.580 -1.387 49.613 1.00 9.78 C ATOM 1025 C GLY A 125 19.344 -2.598 48.736 1.00 9.85 C ATOM 1026 O GLY A 125 18.193 -2.912 48.383 1.00 9.97 O ATOM 1027 H GLY A 125 21.445 -1.165 50.696 1.00 0.00 H ATOM 1028 N ALA A 126 20.440 -3.311 48.414 1.00 7.21 N ATOM 1029 CA ALA A 126 20.395 -4.513 47.593 1.00 7.60 C ATOM 1030 C ALA A 126 19.527 -5.594 48.284 1.00 11.59 C ATOM 1031 O ALA A 126 18.660 -6.195 47.645 1.00 12.07 O ATOM 1032 CB ALA A 126 21.813 -5.009 47.364 1.00 8.14 C ATOM 1033 H ALA A 126 21.363 -2.988 48.769 1.00 0.00 H ATOM 1034 N LEU A 127 19.702 -5.789 49.608 1.00 8.64 N ATOM 1035 CA LEU A 127 18.879 -6.750 50.340 1.00 7.28 C ATOM 1036 C LEU A 127 17.423 -6.304 50.375 1.00 8.30 C ATOM 1037 O LEU A 127 16.540 -7.166 50.292 1.00 9.23 O ATOM 1038 CB LEU A 127 19.391 -6.927 51.802 1.00 7.23 C ATOM 1039 CG LEU A 127 18.701 -7.998 52.676 1.00 11.62 C ATOM 1040 CD1 LEU A 127 18.734 -9.389 52.016 1.00 11.99 C ATOM 1041 CD2 LEU A 127 19.373 -8.063 54.029 1.00 13.12 C ATOM 1042 H LEU A 127 20.432 -5.248 50.114 1.00 0.00 H ATOM 1043 N SER A 128 17.159 -4.981 50.548 1.00 5.45 N ATOM 1044 CA SER A 128 15.778 -4.497 50.607 1.00 5.71 C ATOM 1045 C SER A 128 15.052 -4.712 49.271 1.00 8.87 C ATOM 1046 O SER A 128 13.853 -5.006 49.277 1.00 8.80 O ATOM 1047 CB SER A 128 15.728 -3.037 51.031 1.00 9.31 C ATOM 1048 OG SER A 128 16.041 -2.942 52.409 1.00 20.03 O ATOM 1049 HG SER A 128 16.009 -1.993 52.689 1.00 0.00 H ATOM 1050 H SER A 128 17.945 -4.307 50.639 1.00 0.00 H ATOM 1051 N LEU A 129 15.766 -4.597 48.117 1.00 5.74 N ATOM 1052 CA LEU A 129 15.118 -4.848 46.800 1.00 5.69 C ATOM 1053 C LEU A 129 14.714 -6.332 46.665 1.00 9.78 C ATOM 1054 O LEU A 129 13.572 -6.622 46.324 1.00 11.20 O ATOM 1055 CB LEU A 129 16.070 -4.472 45.631 1.00 6.15 C ATOM 1056 CG LEU A 129 16.297 -2.969 45.310 1.00 8.61 C ATOM 1057 CD1 LEU A 129 17.379 -2.792 44.228 1.00 9.17 C ATOM 1058 CD2 LEU A 129 15.047 -2.315 44.790 1.00 7.86 C ATOM 1059 H LEU A 129 16.771 -4.332 48.156 1.00 0.00 H ATOM 1060 N TYR A 130 15.647 -7.273 46.982 1.00 8.11 N ATOM 1061 CA TYR A 130 15.371 -8.707 46.900 1.00 8.19 C ATOM 1062 C TYR A 130 14.201 -9.093 47.806 1.00 10.74 C ATOM 1063 O TYR A 130 13.264 -9.754 47.349 1.00 11.37 O ATOM 1064 CB TYR A 130 16.606 -9.556 47.260 1.00 8.97 C ATOM 1065 CG TYR A 130 16.363 -11.034 47.039 1.00 11.34 C ATOM 1066 CD1 TYR A 130 16.483 -11.597 45.773 1.00 14.22 C ATOM 1067 CD2 TYR A 130 16.045 -11.875 48.100 1.00 12.78 C ATOM 1068 CE1 TYR A 130 16.199 -12.940 45.551 1.00 15.56 C ATOM 1069 CE2 TYR A 130 15.767 -13.223 47.892 1.00 15.81 C ATOM 1070 CZ TYR A 130 15.878 -13.760 46.618 1.00 18.92 C ATOM 1071 OH TYR A 130 15.659 -15.098 46.385 1.00 21.66 O ATOM 1072 HH TYR A 130 15.784 -15.289 45.422 1.00 0.00 H ATOM 1073 H TYR A 130 16.589 -6.961 47.293 1.00 0.00 H ATOM 1074 N THR A 131 14.265 -8.667 49.075 1.00 6.59 N ATOM 1075 CA THR A 131 13.254 -8.987 50.091 1.00 6.46 C ATOM 1076 C THR A 131 11.871 -8.420 49.692 1.00 10.43 C ATOM 1077 O THR A 131 10.909 -9.164 49.721 1.00 11.71 O ATOM 1078 CB THR A 131 13.682 -8.442 51.464 1.00 8.71 C ATOM 1079 OG1 THR A 131 14.980 -8.889 51.810 1.00 8.81 O ATOM 1080 CG2 THR A 131 12.712 -8.824 52.576 1.00 10.79 C ATOM 1081 HG1 THR A 131 15.628 -8.577 51.130 1.00 0.00 H ATOM 1082 H THR A 131 15.075 -8.078 49.356 1.00 0.00 H ATOM 1083 N ALA A 132 11.765 -7.136 49.307 1.00 9.33 N ATOM 1084 CA ALA A 132 10.443 -6.593 48.966 1.00 10.20 C ATOM 1085 C ALA A 132 9.846 -7.268 47.716 1.00 12.80 C ATOM 1086 O ALA A 132 8.664 -7.594 47.708 1.00 12.69 O ATOM 1087 CB ALA A 132 10.519 -5.097 48.756 1.00 10.00 C ATOM 1088 H ALA A 132 12.611 -6.533 49.251 1.00 0.00 H ATOM 1089 N LEU A 133 10.667 -7.504 46.688 1.00 9.20 N ATOM 1090 CA LEU A 133 10.194 -8.141 45.453 1.00 9.01 C ATOM 1091 C LEU A 133 9.728 -9.583 45.655 1.00 13.77 C ATOM 1092 O LEU A 133 8.949 -10.076 44.841 1.00 14.48 O ATOM 1093 CB LEU A 133 11.294 -8.117 44.395 1.00 9.85 C ATOM 1094 CG LEU A 133 11.623 -6.783 43.779 1.00 15.27 C ATOM 1095 CD1 LEU A 133 12.681 -6.962 42.724 1.00 15.92 C ATOM 1096 CD2 LEU A 133 10.389 -6.124 43.156 1.00 20.66 C ATOM 1097 H LEU A 133 11.667 -7.229 46.765 1.00 0.00 H ATOM 1098 N THR A 134 10.235 -10.274 46.692 1.00 10.80 N ATOM 1099 CA THR A 134 9.889 -11.686 46.952 1.00 12.64 C ATOM 1100 C THR A 134 8.986 -11.868 48.175 1.00 16.78 C ATOM 1101 O THR A 134 8.723 -13.010 48.596 1.00 17.98 O ATOM 1102 CB THR A 134 11.169 -12.515 47.146 1.00 19.72 C ATOM 1103 OG1 THR A 134 11.887 -12.002 48.271 1.00 14.37 O ATOM 1104 CG2 THR A 134 12.056 -12.535 45.901 1.00 14.55 C ATOM 1105 HG1 THR A 134 12.123 -11.055 48.106 1.00 0.00 H ATOM 1106 H THR A 134 10.897 -9.795 47.336 1.00 0.00 H ATOM 1107 N CYS A 135 8.544 -10.757 48.762 1.00 12.84 N ATOM 1108 CA CYS A 135 7.725 -10.766 49.972 1.00 11.84 C ATOM 1109 C CYS A 135 6.303 -11.168 49.606 1.00 15.57 C ATOM 1110 O CYS A 135 5.754 -10.622 48.637 1.00 16.69 O ATOM 1111 CB CYS A 135 7.765 -9.402 50.678 1.00 11.00 C ATOM 1112 SG CYS A 135 6.665 -9.263 52.129 1.00 14.67 S ATOM 1113 H CYS A 135 8.794 -9.840 48.339 1.00 0.00 H ATOM 1114 N PRO A 136 5.702 -12.123 50.374 1.00 13.89 N ATOM 1115 CA PRO A 136 4.355 -12.604 50.038 1.00 14.62 C ATOM 1116 C PRO A 136 3.236 -11.648 50.432 1.00 18.99 C ATOM 1117 O PRO A 136 2.074 -11.924 50.115 1.00 21.55 O ATOM 1118 CB PRO A 136 4.235 -13.918 50.818 1.00 17.87 C ATOM 1119 CG PRO A 136 5.147 -13.767 51.977 1.00 21.00 C ATOM 1120 CD PRO A 136 6.270 -12.855 51.529 1.00 15.64 C ATOM 1121 N HIS A 137 3.578 -10.544 51.114 1.00 12.41 N ATOM 1122 CA HIS A 137 2.633 -9.518 51.562 1.00 11.60 C ATOM 1123 C HIS A 137 2.806 -8.250 50.721 1.00 15.25 C ATOM 1124 O HIS A 137 3.954 -7.900 50.414 1.00 15.42 O ATOM 1125 CB HIS A 137 2.828 -9.201 53.053 1.00 11.75 C ATOM 1126 CG HIS A 137 2.838 -10.438 53.899 1.00 15.61 C ATOM 1127 ND1 HIS A 137 4.005 -10.900 54.481 1.00 16.87 N ATOM 1128 CD2 HIS A 137 1.824 -11.274 54.221 1.00 18.74 C ATOM 1129 CE1 HIS A 137 3.667 -12.003 55.132 1.00 17.32 C ATOM 1130 NE2 HIS A 137 2.365 -12.266 55.010 1.00 18.80 N ATOM 1131 H HIS A 137 4.584 -10.407 51.340 1.00 0.00 H ATOM 1132 N PRO A 138 1.711 -7.547 50.338 1.00 13.00 N ATOM 1133 CA PRO A 138 1.878 -6.372 49.473 1.00 12.89 C ATOM 1134 C PRO A 138 2.344 -5.184 50.283 1.00 16.11 C ATOM 1135 O PRO A 138 1.587 -4.662 51.098 1.00 16.72 O ATOM 1136 CB PRO A 138 0.487 -6.167 48.829 1.00 16.70 C ATOM 1137 CG PRO A 138 -0.443 -7.078 49.535 1.00 23.57 C ATOM 1138 CD PRO A 138 0.285 -7.813 50.618 1.00 18.19 C ATOM 1139 N LEU A 139 3.625 -4.849 50.127 1.00 10.20 N ATOM 1140 CA LEU A 139 4.299 -3.772 50.846 1.00 9.17 C ATOM 1141 C LEU A 139 3.996 -2.430 50.208 1.00 12.59 C ATOM 1142 O LEU A 139 3.537 -2.394 49.056 1.00 11.97 O ATOM 1143 CB LEU A 139 5.836 -4.033 50.880 1.00 8.93 C ATOM 1144 CG LEU A 139 6.307 -5.269 51.687 1.00 13.83 C ATOM 1145 CD1 LEU A 139 7.777 -5.562 51.436 1.00 14.87 C ATOM 1146 CD2 LEU A 139 6.125 -5.037 53.206 1.00 15.08 C ATOM 1147 H LEU A 139 4.186 -5.395 49.442 1.00 0.00 H ATOM 1148 N ALA A 140 4.261 -1.318 50.937 1.00 9.03 N ATOM 1149 CA ALA A 140 4.006 0.002 50.360 1.00 7.94 C ATOM 1150 C ALA A 140 5.001 0.302 49.282 1.00 10.10 C ATOM 1151 O ALA A 140 4.605 0.780 48.220 1.00 9.32 O ATOM 1152 CB ALA A 140 4.060 1.082 51.421 1.00 8.63 C ATOM 1153 H ALA A 140 4.643 -1.403 51.900 1.00 0.00 H ATOM 1154 N GLY A 141 6.273 0.012 49.546 1.00 7.98 N ATOM 1155 CA GLY A 141 7.313 0.337 48.584 1.00 7.95 C ATOM 1156 C GLY A 141 8.720 0.102 49.061 1.00 9.62 C ATOM 1157 O GLY A 141 8.950 -0.561 50.085 1.00 9.49 O ATOM 1158 H GLY A 141 6.524 -0.449 50.444 1.00 0.00 H ATOM 1159 N ILE A 142 9.678 0.662 48.299 1.00 4.94 N ATOM 1160 CA ILE A 142 11.111 0.513 48.576 1.00 4.91 C ATOM 1161 C ILE A 142 11.854 1.827 48.316 1.00 8.12 C ATOM 1162 O ILE A 142 11.536 2.500 47.351 1.00 8.89 O ATOM 1163 CB ILE A 142 11.782 -0.608 47.694 1.00 7.59 C ATOM 1164 CG1 ILE A 142 10.855 -1.808 47.370 1.00 6.84 C ATOM 1165 CG2 ILE A 142 13.152 -1.037 48.283 1.00 6.07 C ATOM 1166 CD1 ILE A 142 11.373 -2.707 46.358 1.00 7.44 C ATOM 1167 H ILE A 142 9.389 1.227 47.475 1.00 0.00 H ATOM 1168 N VAL A 143 12.845 2.162 49.151 1.00 5.99 N ATOM 1169 CA VAL A 143 13.753 3.307 49.031 1.00 5.64 C ATOM 1170 C VAL A 143 15.145 2.676 48.862 1.00 8.77 C ATOM 1171 O VAL A 143 15.793 2.283 49.852 1.00 7.50 O ATOM 1172 CB VAL A 143 13.658 4.273 50.239 1.00 9.68 C ATOM 1173 CG1 VAL A 143 14.740 5.355 50.185 1.00 10.62 C ATOM 1174 CG2 VAL A 143 12.275 4.906 50.323 1.00 9.70 C ATOM 1175 H VAL A 143 12.986 1.543 49.975 1.00 0.00 H ATOM 1176 N ALA A 144 15.585 2.554 47.604 1.00 8.26 N ATOM 1177 CA ALA A 144 16.785 1.823 47.247 1.00 7.74 C ATOM 1178 C ALA A 144 17.882 2.791 46.869 1.00 10.69 C ATOM 1179 O ALA A 144 17.777 3.437 45.828 1.00 10.17 O ATOM 1180 CB ALA A 144 16.445 0.882 46.080 1.00 7.97 C ATOM 1181 H ALA A 144 15.038 3.007 46.844 1.00 0.00 H ATOM 1182 N LEU A 145 18.908 2.940 47.726 1.00 6.48 N ATOM 1183 CA LEU A 145 19.951 3.945 47.518 1.00 4.74 C ATOM 1184 C LEU A 145 21.281 3.375 47.120 1.00 8.58 C ATOM 1185 O LEU A 145 21.808 2.506 47.809 1.00 8.30 O ATOM 1186 CB LEU A 145 20.129 4.843 48.771 1.00 3.91 C ATOM 1187 CG LEU A 145 18.852 5.462 49.412 1.00 6.53 C ATOM 1188 CD1 LEU A 145 19.235 6.304 50.599 1.00 8.95 C ATOM 1189 CD2 LEU A 145 18.119 6.384 48.418 1.00 9.21 C ATOM 1190 H LEU A 145 18.962 2.323 48.561 1.00 0.00 H ATOM 1191 N SER A 146 21.841 3.876 46.000 1.00 6.28 N ATOM 1192 CA SER A 146 23.152 3.463 45.491 1.00 6.14 C ATOM 1193 C SER A 146 23.334 1.937 45.574 1.00 10.14 C ATOM 1194 O SER A 146 24.265 1.462 46.250 1.00 8.55 O ATOM 1195 CB SER A 146 24.236 4.160 46.302 1.00 9.18 C ATOM 1196 OG SER A 146 24.009 5.559 46.341 1.00 9.67 O ATOM 1197 HG SER A 146 24.016 5.919 45.419 1.00 0.00 H ATOM 1198 H SER A 146 21.313 4.596 45.467 1.00 0.00 H ATOM 1199 N CYS A 147 22.453 1.163 44.894 1.00 8.45 N ATOM 1200 CA CYS A 147 22.546 -0.290 45.035 1.00 8.41 C ATOM 1201 C CYS A 147 22.286 -1.043 43.725 1.00 12.99 C ATOM 1202 O CYS A 147 22.279 -0.453 42.623 1.00 13.80 O ATOM 1203 CB CYS A 147 21.627 -0.776 46.153 1.00 8.62 C ATOM 1204 SG CYS A 147 19.874 -0.371 45.917 1.00 11.23 S ATOM 1205 H CYS A 147 21.727 1.593 44.286 1.00 0.00 H ATOM 1206 N TRP A 148 22.082 -2.366 43.866 1.00 7.45 N ATOM 1207 CA TRP A 148 21.848 -3.283 42.768 1.00 8.18 C ATOM 1208 C TRP A 148 20.874 -4.338 43.199 1.00 10.70 C ATOM 1209 O TRP A 148 20.665 -4.522 44.404 1.00 9.98 O ATOM 1210 CB TRP A 148 23.187 -3.923 42.368 1.00 7.60 C ATOM 1211 CG TRP A 148 23.686 -4.942 43.375 1.00 7.66 C ATOM 1212 CD1 TRP A 148 23.477 -6.291 43.343 1.00 10.55 C ATOM 1213 CD2 TRP A 148 24.397 -4.678 44.591 1.00 7.56 C ATOM 1214 NE1 TRP A 148 24.120 -6.895 44.405 1.00 9.20 N ATOM 1215 CE2 TRP A 148 24.611 -5.923 45.235 1.00 10.25 C ATOM 1216 CE3 TRP A 148 24.882 -3.508 45.208 1.00 9.21 C ATOM 1217 CZ2 TRP A 148 25.367 -6.038 46.414 1.00 10.48 C ATOM 1218 CZ3 TRP A 148 25.557 -3.618 46.417 1.00 9.58 C ATOM 1219 CH2 TRP A 148 25.794 -4.868 47.014 1.00 10.53 C ATOM 1220 HE1 TRP A 148 24.216 -7.920 44.551 1.00 0.00 H ATOM 1221 H TRP A 148 22.093 -2.757 44.829 1.00 0.00 H ATOM 1222 N LEU A 149 20.293 -5.058 42.224 1.00 8.26 N ATOM 1223 CA LEU A 149 19.389 -6.149 42.521 1.00 7.16 C ATOM 1224 C LEU A 149 20.176 -7.448 42.666 1.00 10.03 C ATOM 1225 O LEU A 149 20.702 -7.941 41.652 1.00 11.27 O ATOM 1226 CB LEU A 149 18.326 -6.282 41.399 1.00 7.41 C ATOM 1227 CG LEU A 149 17.360 -7.485 41.517 1.00 11.22 C ATOM 1228 CD1 LEU A 149 16.548 -7.405 42.785 1.00 10.85 C ATOM 1229 CD2 LEU A 149 16.420 -7.537 40.319 1.00 12.94 C ATOM 1230 H LEU A 149 20.498 -4.825 41.231 1.00 0.00 H ATOM 1231 N PRO A 150 20.232 -8.064 43.877 1.00 8.16 N ATOM 1232 CA PRO A 150 20.873 -9.384 44.000 1.00 8.61 C ATOM 1233 C PRO A 150 20.101 -10.439 43.226 1.00 11.95 C ATOM 1234 O PRO A 150 18.867 -10.323 43.094 1.00 10.68 O ATOM 1235 CB PRO A 150 20.786 -9.685 45.503 1.00 10.01 C ATOM 1236 CG PRO A 150 20.481 -8.407 46.163 1.00 12.45 C ATOM 1237 CD PRO A 150 19.645 -7.647 45.163 1.00 9.28 C ATOM 1238 N LEU A 151 20.824 -11.465 42.722 1.00 9.67 N ATOM 1239 CA LEU A 151 20.260 -12.606 41.984 1.00 10.65 C ATOM 1240 C LEU A 151 19.361 -12.111 40.828 1.00 15.24 C ATOM 1241 O LEU A 151 18.297 -12.682 40.563 1.00 13.78 O ATOM 1242 CB LEU A 151 19.481 -13.560 42.952 1.00 11.17 C ATOM 1243 CG LEU A 151 20.168 -13.936 44.288 1.00 15.22 C ATOM 1244 CD1 LEU A 151 19.232 -14.713 45.215 1.00 14.30 C ATOM 1245 CD2 LEU A 151 21.436 -14.739 44.068 1.00 18.53 C ATOM 1246 H LEU A 151 21.854 -11.446 42.867 1.00 0.00 H ATOM 1247 N HIS A 152 19.831 -11.065 40.113 1.00 12.47 N ATOM 1248 CA HIS A 152 19.082 -10.351 39.070 1.00 11.76 C ATOM 1249 C HIS A 152 18.594 -11.261 37.934 1.00 16.66 C ATOM 1250 O HIS A 152 17.514 -11.012 37.376 1.00 15.40 O ATOM 1251 CB HIS A 152 19.907 -9.190 38.508 1.00 11.81 C ATOM 1252 CG HIS A 152 21.036 -9.566 37.587 1.00 15.69 C ATOM 1253 ND1 HIS A 152 22.286 -9.915 38.078 1.00 16.36 N ATOM 1254 CD2 HIS A 152 21.100 -9.500 36.236 1.00 17.13 C ATOM 1255 CE1 HIS A 152 23.047 -10.114 37.014 1.00 16.80 C ATOM 1256 NE2 HIS A 152 22.382 -9.851 35.881 1.00 17.51 N ATOM 1257 H HIS A 152 20.798 -10.740 40.317 1.00 0.00 H ATOM 1258 N ARG A 153 19.354 -12.342 37.629 1.00 14.47 N ATOM 1259 CA ARG A 153 18.971 -13.279 36.546 1.00 15.61 C ATOM 1260 C ARG A 153 17.697 -14.087 36.864 1.00 20.66 C ATOM 1261 O ARG A 153 17.047 -14.598 35.942 1.00 21.87 O ATOM 1262 CB ARG A 153 20.130 -14.217 36.230 1.00 17.14 C ATOM 1263 CG ARG A 153 21.188 -13.497 35.430 1.00 15.93 C ATOM 1264 CD ARG A 153 22.451 -14.292 35.176 1.00 21.36 C ATOM 1265 NE ARG A 153 23.471 -13.356 34.718 1.00 34.04 N ATOM 1266 CZ ARG A 153 24.470 -12.911 35.474 1.00 46.13 C ATOM 1267 NH1 ARG A 153 24.658 -13.400 36.695 1.00 30.42 N ATOM 1268 NH2 ARG A 153 25.313 -12.003 35.000 1.00 25.69 N ATOM 1269 HE ARG A 153 23.413 -13.015 33.737 1.00 0.00 H ATOM 1270 HH12 ARG A 153 25.441 -13.048 37.281 1.00 0.00 H ATOM 1271 HH11 ARG A 153 24.022 -14.135 37.064 1.00 0.00 H ATOM 1272 HH22 ARG A 153 26.093 -11.657 35.594 1.00 0.00 H ATOM 1273 HH21 ARG A 153 25.194 -11.637 34.034 1.00 0.00 H ATOM 1274 H ARG A 153 20.226 -12.518 38.168 1.00 0.00 H ATOM 1275 N ALA A 154 17.328 -14.186 38.151 1.00 16.24 N ATOM 1276 CA ALA A 154 16.130 -14.902 38.589 1.00 17.13 C ATOM 1277 C ALA A 154 14.850 -14.050 38.380 1.00 20.61 C ATOM 1278 O ALA A 154 13.727 -14.574 38.408 1.00 18.64 O ATOM 1279 CB ALA A 154 16.283 -15.280 40.047 1.00 17.79 C ATOM 1280 H ALA A 154 17.923 -13.731 38.872 1.00 0.00 H ATOM 1281 N PHE A 155 15.034 -12.750 38.100 1.00 16.79 N ATOM 1282 CA PHE A 155 13.942 -11.803 37.947 1.00 15.80 C ATOM 1283 C PHE A 155 13.641 -11.544 36.450 1.00 20.04 C ATOM 1284 O PHE A 155 14.531 -11.723 35.621 1.00 20.16 O ATOM 1285 CB PHE A 155 14.266 -10.507 38.710 1.00 16.02 C ATOM 1286 CG PHE A 155 14.261 -10.750 40.206 1.00 16.44 C ATOM 1287 CD1 PHE A 155 13.076 -10.692 40.934 1.00 18.62 C ATOM 1288 CD2 PHE A 155 15.425 -11.115 40.870 1.00 18.15 C ATOM 1289 CE1 PHE A 155 13.070 -10.939 42.314 1.00 20.11 C ATOM 1290 CE2 PHE A 155 15.414 -11.384 42.245 1.00 20.03 C ATOM 1291 CZ PHE A 155 14.236 -11.296 42.956 1.00 18.12 C ATOM 1292 H PHE A 155 16.008 -12.403 37.987 1.00 0.00 H ATOM 1293 N PRO A 156 12.386 -11.215 36.067 1.00 17.13 N ATOM 1294 CA PRO A 156 11.214 -10.942 36.933 1.00 16.63 C ATOM 1295 C PRO A 156 10.512 -12.196 37.492 1.00 21.28 C ATOM 1296 O PRO A 156 9.701 -12.055 38.406 1.00 20.54 O ATOM 1297 CB PRO A 156 10.275 -10.152 36.006 1.00 19.05 C ATOM 1298 CG PRO A 156 10.611 -10.611 34.619 1.00 23.48 C ATOM 1299 CD PRO A 156 12.083 -10.980 34.637 1.00 19.33 C ATOM 1300 N GLN A 157 10.813 -13.402 36.965 1.00 19.87 N ATOM 1301 CA GLN A 157 10.168 -14.680 37.347 1.00 20.60 C ATOM 1302 C GLN A 157 10.092 -14.905 38.859 1.00 23.05 C ATOM 1303 O GLN A 157 9.025 -15.252 39.369 1.00 24.48 O ATOM 1304 CB GLN A 157 10.875 -15.893 36.706 1.00 23.27 C ATOM 1305 CG GLN A 157 10.827 -15.955 35.173 1.00 36.03 C ATOM 1306 CD GLN A 157 11.674 -14.904 34.480 1.00 48.73 C ATOM 1307 OE1 GLN A 157 12.739 -14.487 34.963 1.00 39.58 O ATOM 1308 NE2 GLN A 157 11.193 -14.425 33.346 1.00 35.45 N ATOM 1309 HE22 GLN A 157 10.298 -14.793 32.964 1.00 0.00 H ATOM 1310 HE21 GLN A 157 11.709 -13.680 32.836 1.00 0.00 H ATOM 1311 H GLN A 157 11.554 -13.437 36.236 1.00 0.00 H ATOM 1312 N ALA A 158 11.215 -14.688 39.569 1.00 17.39 N ATOM 1313 CA ALA A 158 11.359 -14.884 41.024 1.00 16.41 C ATOM 1314 C ALA A 158 10.501 -13.927 41.879 1.00 19.27 C ATOM 1315 O ALA A 158 10.317 -14.193 43.073 1.00 17.95 O ATOM 1316 CB ALA A 158 12.817 -14.716 41.419 1.00 16.62 C ATOM 1317 H ALA A 158 12.051 -14.354 39.048 1.00 0.00 H ATOM 1318 N ALA A 159 10.038 -12.809 41.317 1.00 15.41 N ATOM 1319 CA ALA A 159 9.255 -11.854 42.114 1.00 15.50 C ATOM 1320 C ALA A 159 7.868 -12.407 42.468 1.00 20.94 C ATOM 1321 O ALA A 159 7.263 -13.152 41.687 1.00 21.95 O ATOM 1322 CB ALA A 159 9.125 -10.518 41.402 1.00 16.01 C ATOM 1323 H ALA A 159 10.231 -12.613 40.314 1.00 0.00 H ATOM 1324 N ASN A 160 7.384 -12.068 43.672 1.00 17.20 N ATOM 1325 CA ASN A 160 6.079 -12.549 44.120 1.00 16.97 C ATOM 1326 C ASN A 160 4.988 -11.766 43.385 1.00 20.48 C ATOM 1327 O ASN A 160 5.231 -10.635 42.943 1.00 19.31 O ATOM 1328 CB ASN A 160 5.970 -12.420 45.646 1.00 16.70 C ATOM 1329 CG ASN A 160 4.813 -13.177 46.241 1.00 25.33 C ATOM 1330 OD1 ASN A 160 3.667 -12.721 46.215 1.00 23.34 O ATOM 1331 ND2 ASN A 160 5.085 -14.344 46.796 1.00 21.38 N ATOM 1332 HD22 ASN A 160 6.061 -14.702 46.802 1.00 0.00 H ATOM 1333 HD21 ASN A 160 4.323 -14.905 47.227 1.00 0.00 H ATOM 1334 H ASN A 160 7.946 -11.454 44.296 1.00 0.00 H ATOM 1335 N GLY A 161 3.805 -12.362 43.257 1.00 18.17 N ATOM 1336 CA GLY A 161 2.647 -11.706 42.662 1.00 17.58 C ATOM 1337 C GLY A 161 2.314 -10.400 43.367 1.00 20.43 C ATOM 1338 O GLY A 161 1.883 -9.448 42.724 1.00 19.69 O ATOM 1339 H GLY A 161 3.702 -13.340 43.597 1.00 0.00 H ATOM 1340 N SER A 162 2.606 -10.319 44.685 1.00 17.65 N ATOM 1341 CA SER A 162 2.338 -9.151 45.556 1.00 16.92 C ATOM 1342 C SER A 162 3.252 -7.949 45.286 1.00 21.56 C ATOM 1343 O SER A 162 3.046 -6.869 45.877 1.00 22.22 O ATOM 1344 CB SER A 162 2.451 -9.552 47.027 1.00 18.16 C ATOM 1345 H SER A 162 3.057 -11.147 45.124 1.00 0.00 H ATOM 1346 N ALA A 163 4.272 -8.130 44.436 1.00 17.73 N ATOM 1347 CA ALA A 163 5.235 -7.081 44.091 1.00 16.94 C ATOM 1348 C ALA A 163 4.682 -6.041 43.103 1.00 19.58 C ATOM 1349 O ALA A 163 5.283 -4.973 42.956 1.00 18.80 O ATOM 1350 CB ALA A 163 6.490 -7.711 43.517 1.00 17.55 C ATOM 1351 H ALA A 163 4.386 -9.066 43.997 1.00 0.00 H ATOM 1352 N LYS A 164 3.551 -6.349 42.432 1.00 17.46 N ATOM 1353 CA LYS A 164 2.900 -5.493 41.430 1.00 18.32 C ATOM 1354 C LYS A 164 2.543 -4.067 41.931 1.00 22.06 C ATOM 1355 O LYS A 164 2.659 -3.094 41.177 1.00 22.98 O ATOM 1356 CB LYS A 164 1.605 -6.171 40.929 1.00 21.50 C ATOM 1357 H LYS A 164 3.105 -7.265 42.641 1.00 0.00 H ATOM 1358 N ASP A 165 2.090 -3.962 43.176 1.00 17.67 N ATOM 1359 CA ASP A 165 1.605 -2.727 43.792 1.00 17.34 C ATOM 1360 C ASP A 165 2.735 -1.861 44.363 1.00 17.27 C ATOM 1361 O ASP A 165 2.483 -0.729 44.776 1.00 17.42 O ATOM 1362 CB ASP A 165 0.599 -3.075 44.905 1.00 20.17 C ATOM 1363 CG ASP A 165 -0.509 -3.994 44.417 1.00 36.07 C ATOM 1364 OD1 ASP A 165 -1.501 -3.478 43.849 1.00 38.45 O ATOM 1365 OD2 ASP A 165 -0.350 -5.237 44.537 1.00 38.54 O ATOM 1366 H ASP A 165 2.080 -4.824 43.757 1.00 0.00 H ATOM 1367 N LEU A 166 3.968 -2.367 44.386 1.00 12.14 N ATOM 1368 CA LEU A 166 5.080 -1.602 45.004 1.00 10.59 C ATOM 1369 C LEU A 166 5.341 -0.237 44.355 1.00 13.50 C ATOM 1370 O LEU A 166 5.275 -0.107 43.133 1.00 15.07 O ATOM 1371 CB LEU A 166 6.390 -2.405 44.933 1.00 9.35 C ATOM 1372 CG LEU A 166 6.566 -3.630 45.858 1.00 11.03 C ATOM 1373 CD1 LEU A 166 7.672 -4.539 45.363 1.00 10.43 C ATOM 1374 CD2 LEU A 166 6.907 -3.208 47.266 1.00 13.62 C ATOM 1375 H LEU A 166 4.152 -3.302 43.969 1.00 0.00 H ATOM 1376 N ALA A 167 5.695 0.764 45.166 1.00 10.93 N ATOM 1377 CA ALA A 167 6.146 2.070 44.668 1.00 11.41 C ATOM 1378 C ALA A 167 7.639 2.127 44.963 1.00 13.59 C ATOM 1379 O ALA A 167 8.057 1.805 46.076 1.00 11.35 O ATOM 1380 CB ALA A 167 5.382 3.210 45.344 1.00 12.19 C ATOM 1381 H ALA A 167 5.649 0.612 46.194 1.00 0.00 H ATOM 1382 N ILE A 168 8.460 2.408 43.949 1.00 10.54 N ATOM 1383 CA ILE A 168 9.900 2.366 44.166 1.00 9.33 C ATOM 1384 C ILE A 168 10.583 3.698 43.885 1.00 12.45 C ATOM 1385 O ILE A 168 10.447 4.263 42.796 1.00 12.18 O ATOM 1386 CB ILE A 168 10.574 1.229 43.322 1.00 11.90 C ATOM 1387 CG1 ILE A 168 9.933 -0.155 43.621 1.00 10.74 C ATOM 1388 CG2 ILE A 168 12.077 1.182 43.573 1.00 14.07 C ATOM 1389 CD1 ILE A 168 10.430 -1.277 42.711 1.00 12.25 C ATOM 1390 H ILE A 168 8.076 2.654 43.014 1.00 0.00 H ATOM 1391 N LEU A 169 11.401 4.134 44.852 1.00 7.53 N ATOM 1392 CA LEU A 169 12.304 5.249 44.712 1.00 8.19 C ATOM 1393 C LEU A 169 13.685 4.686 44.709 1.00 11.95 C ATOM 1394 O LEU A 169 14.135 4.168 45.740 1.00 10.56 O ATOM 1395 CB LEU A 169 12.166 6.311 45.834 1.00 8.87 C ATOM 1396 CG LEU A 169 13.217 7.457 45.782 1.00 14.16 C ATOM 1397 CD1 LEU A 169 13.096 8.311 44.521 1.00 14.46 C ATOM 1398 CD2 LEU A 169 13.166 8.290 47.024 1.00 17.29 C ATOM 1399 H LEU A 169 11.383 3.635 45.764 1.00 0.00 H ATOM 1400 N GLN A 170 14.370 4.781 43.573 1.00 9.69 N ATOM 1401 CA GLN A 170 15.747 4.312 43.492 1.00 8.29 C ATOM 1402 C GLN A 170 16.648 5.494 43.182 1.00 11.47 C ATOM 1403 O GLN A 170 16.432 6.165 42.183 1.00 11.35 O ATOM 1404 CB GLN A 170 15.911 3.186 42.462 1.00 10.10 C ATOM 1405 CG GLN A 170 17.311 2.556 42.500 1.00 13.28 C ATOM 1406 CD GLN A 170 17.572 1.590 41.358 1.00 13.54 C ATOM 1407 OE1 GLN A 170 16.679 1.245 40.574 1.00 16.02 O ATOM 1408 NE2 GLN A 170 18.824 1.166 41.202 1.00 12.01 N ATOM 1409 HE22 GLN A 170 19.562 1.466 41.871 1.00 0.00 H ATOM 1410 HE21 GLN A 170 19.064 0.535 40.411 1.00 0.00 H ATOM 1411 H GLN A 170 13.918 5.195 42.733 1.00 0.00 H ATOM 1412 N CYS A 171 17.634 5.766 44.049 1.00 8.99 N ATOM 1413 CA CYS A 171 18.563 6.879 43.858 1.00 9.30 C ATOM 1414 C CYS A 171 19.952 6.385 43.626 1.00 10.99 C ATOM 1415 O CYS A 171 20.312 5.316 44.139 1.00 9.73 O ATOM 1416 CB CYS A 171 18.534 7.833 45.047 1.00 8.52 C ATOM 1417 SG CYS A 171 16.915 8.581 45.356 1.00 11.05 S ATOM 1418 H CYS A 171 17.742 5.163 44.889 1.00 0.00 H ATOM 1419 N HIS A 172 20.782 7.215 42.952 1.00 8.93 N ATOM 1420 CA HIS A 172 22.195 6.875 42.695 1.00 8.77 C ATOM 1421 C HIS A 172 23.045 8.110 42.436 1.00 11.75 C ATOM 1422 O HIS A 172 22.590 9.053 41.784 1.00 11.84 O ATOM 1423 CB HIS A 172 22.302 5.943 41.460 1.00 8.48 C ATOM 1424 CG HIS A 172 23.280 4.805 41.611 1.00 10.16 C ATOM 1425 ND1 HIS A 172 22.848 3.502 41.853 1.00 10.38 N ATOM 1426 CD2 HIS A 172 24.634 4.814 41.574 1.00 10.57 C ATOM 1427 CE1 HIS A 172 23.949 2.785 41.974 1.00 9.00 C ATOM 1428 NE2 HIS A 172 25.046 3.531 41.776 1.00 9.85 N ATOM 1429 H HIS A 172 20.412 8.122 42.604 1.00 0.00 H ATOM 1430 N GLY A 173 24.296 8.073 42.896 1.00 9.05 N ATOM 1431 CA GLY A 173 25.268 9.119 42.597 1.00 9.36 C ATOM 1432 C GLY A 173 25.902 8.808 41.259 1.00 12.35 C ATOM 1433 O GLY A 173 26.328 7.667 41.032 1.00 10.37 O ATOM 1434 H GLY A 173 24.589 7.270 43.489 1.00 0.00 H ATOM 1435 N GLU A 174 25.930 9.790 40.334 1.00 11.23 N ATOM 1436 CA GLU A 174 26.461 9.586 38.985 1.00 12.36 C ATOM 1437 C GLU A 174 27.939 9.223 38.948 1.00 18.21 C ATOM 1438 O GLU A 174 28.381 8.593 37.982 1.00 19.45 O ATOM 1439 CB GLU A 174 26.236 10.851 38.128 1.00 14.31 C ATOM 1440 CG GLU A 174 24.803 10.936 37.626 1.00 23.07 C ATOM 1441 CD GLU A 174 24.409 12.191 36.873 1.00 31.48 C ATOM 1442 OE1 GLU A 174 25.296 12.859 36.297 1.00 23.44 O ATOM 1443 OE2 GLU A 174 23.193 12.485 36.832 1.00 26.41 O ATOM 1444 H GLU A 174 25.560 10.728 40.589 1.00 0.00 H ATOM 1445 N LEU A 175 28.710 9.616 39.986 1.00 14.99 N ATOM 1446 CA LEU A 175 30.144 9.375 40.021 1.00 15.06 C ATOM 1447 C LEU A 175 30.501 8.340 41.089 1.00 17.66 C ATOM 1448 O LEU A 175 31.604 8.371 41.655 1.00 18.07 O ATOM 1449 CB LEU A 175 30.900 10.695 40.248 1.00 16.60 C ATOM 1450 CG LEU A 175 30.597 11.847 39.271 1.00 22.49 C ATOM 1451 CD1 LEU A 175 31.388 13.082 39.650 1.00 24.20 C ATOM 1452 CD2 LEU A 175 30.931 11.467 37.814 1.00 26.86 C ATOM 1453 H LEU A 175 28.263 10.107 40.786 1.00 0.00 H ATOM 1454 N ASP A 176 29.584 7.385 41.323 1.00 12.40 N ATOM 1455 CA ASP A 176 29.806 6.324 42.304 1.00 10.64 C ATOM 1456 C ASP A 176 30.851 5.333 41.781 1.00 16.82 C ATOM 1457 O ASP A 176 30.621 4.687 40.759 1.00 15.08 O ATOM 1458 CB ASP A 176 28.482 5.614 42.662 1.00 10.40 C ATOM 1459 CG ASP A 176 28.556 4.652 43.841 1.00 14.48 C ATOM 1460 OD1 ASP A 176 29.623 4.011 44.030 1.00 16.36 O ATOM 1461 OD2 ASP A 176 27.521 4.467 44.527 1.00 10.79 O ATOM 1462 H ASP A 176 28.691 7.402 40.791 1.00 0.00 H ATOM 1463 N PRO A 177 32.004 5.186 42.478 1.00 16.93 N ATOM 1464 CA PRO A 177 33.029 4.252 41.991 1.00 17.30 C ATOM 1465 C PRO A 177 32.823 2.809 42.485 1.00 18.88 C ATOM 1466 O PRO A 177 33.302 1.896 41.821 1.00 19.66 O ATOM 1467 CB PRO A 177 34.340 4.837 42.547 1.00 20.61 C ATOM 1468 CG PRO A 177 33.932 6.033 43.389 1.00 25.66 C ATOM 1469 CD PRO A 177 32.476 5.900 43.677 1.00 18.90 C ATOM 1470 N MET A 178 32.100 2.608 43.620 1.00 13.65 N ATOM 1471 CA MET A 178 31.851 1.291 44.256 1.00 14.02 C ATOM 1472 C MET A 178 30.758 0.511 43.562 1.00 18.41 C ATOM 1473 O MET A 178 30.902 -0.699 43.358 1.00 19.79 O ATOM 1474 CB MET A 178 31.487 1.436 45.730 1.00 15.42 C ATOM 1475 CG MET A 178 32.564 2.040 46.593 1.00 19.50 C ATOM 1476 SD MET A 178 34.158 1.187 46.501 1.00 25.16 S ATOM 1477 CE MET A 178 33.733 -0.362 47.183 1.00 20.46 C ATOM 1478 H MET A 178 31.689 3.446 44.079 1.00 0.00 H ATOM 1479 N VAL A 179 29.629 1.188 43.302 1.00 11.96 N ATOM 1480 CA VAL A 179 28.477 0.679 42.555 1.00 9.61 C ATOM 1481 C VAL A 179 28.315 1.649 41.381 1.00 13.24 C ATOM 1482 O VAL A 179 27.627 2.652 41.534 1.00 11.39 O ATOM 1483 CB VAL A 179 27.161 0.508 43.377 1.00 12.11 C ATOM 1484 CG1 VAL A 179 26.051 -0.079 42.512 1.00 12.65 C ATOM 1485 CG2 VAL A 179 27.380 -0.371 44.593 1.00 10.75 C ATOM 1486 H VAL A 179 29.567 2.161 43.663 1.00 0.00 H ATOM 1487 N PRO A 180 28.939 1.379 40.213 1.00 13.69 N ATOM 1488 CA PRO A 180 28.801 2.302 39.067 1.00 14.75 C ATOM 1489 C PRO A 180 27.339 2.608 38.751 1.00 17.23 C ATOM 1490 O PRO A 180 26.502 1.721 38.876 1.00 17.08 O ATOM 1491 CB PRO A 180 29.451 1.533 37.915 1.00 17.40 C ATOM 1492 CG PRO A 180 30.447 0.655 38.568 1.00 21.92 C ATOM 1493 CD PRO A 180 29.847 0.258 39.898 1.00 16.74 C ATOM 1494 N VAL A 181 27.032 3.877 38.400 1.00 12.80 N ATOM 1495 CA VAL A 181 25.679 4.356 38.112 1.00 11.42 C ATOM 1496 C VAL A 181 25.000 3.479 37.043 1.00 14.13 C ATOM 1497 O VAL A 181 23.789 3.287 37.159 1.00 12.58 O ATOM 1498 CB VAL A 181 25.616 5.875 37.770 1.00 15.76 C ATOM 1499 CG1 VAL A 181 26.273 6.190 36.423 1.00 16.17 C ATOM 1500 CG2 VAL A 181 24.176 6.414 37.843 1.00 15.44 C ATOM 1501 H VAL A 181 27.812 4.561 38.330 1.00 0.00 H ATOM 1502 N ARG A 182 25.774 2.898 36.061 1.00 13.70 N ATOM 1503 CA ARG A 182 25.211 2.013 35.027 1.00 13.84 C ATOM 1504 C ARG A 182 24.628 0.744 35.668 1.00 17.11 C ATOM 1505 O ARG A 182 23.628 0.240 35.166 1.00 16.64 O ATOM 1506 CB ARG A 182 26.261 1.630 33.961 1.00 14.67 C ATOM 1507 CG ARG A 182 25.666 1.216 32.616 1.00 33.84 C ATOM 1508 H ARG A 182 26.796 3.092 36.050 1.00 0.00 H ATOM 1509 N PHE A 183 25.222 0.248 36.789 1.00 12.31 N ATOM 1510 CA PHE A 183 24.659 -0.919 37.469 1.00 12.74 C ATOM 1511 C PHE A 183 23.299 -0.567 38.091 1.00 15.68 C ATOM 1512 O PHE A 183 22.413 -1.421 38.139 1.00 16.09 O ATOM 1513 CB PHE A 183 25.626 -1.484 38.542 1.00 15.02 C ATOM 1514 CG PHE A 183 26.952 -2.011 38.013 1.00 18.57 C ATOM 1515 CD1 PHE A 183 27.197 -2.093 36.642 1.00 23.24 C ATOM 1516 CD2 PHE A 183 27.938 -2.452 38.883 1.00 21.61 C ATOM 1517 CE1 PHE A 183 28.425 -2.568 36.159 1.00 25.76 C ATOM 1518 CE2 PHE A 183 29.164 -2.929 38.399 1.00 25.19 C ATOM 1519 CZ PHE A 183 29.401 -2.978 37.048 1.00 25.45 C ATOM 1520 H PHE A 183 26.080 0.701 37.163 1.00 0.00 H ATOM 1521 N GLY A 184 23.148 0.684 38.558 1.00 12.67 N ATOM 1522 CA GLY A 184 21.904 1.184 39.127 1.00 11.98 C ATOM 1523 C GLY A 184 20.850 1.270 38.041 1.00 14.68 C ATOM 1524 O GLY A 184 19.725 0.814 38.233 1.00 12.39 O ATOM 1525 H GLY A 184 23.962 1.329 38.511 1.00 0.00 H ATOM 1526 N ALA A 185 21.245 1.794 36.867 1.00 14.59 N ATOM 1527 CA ALA A 185 20.400 1.907 35.673 1.00 15.31 C ATOM 1528 C ALA A 185 19.931 0.526 35.200 1.00 17.53 C ATOM 1529 O ALA A 185 18.747 0.381 34.871 1.00 16.94 O ATOM 1530 CB ALA A 185 21.149 2.619 34.552 1.00 16.18 C ATOM 1531 H ALA A 185 22.222 2.145 36.801 1.00 0.00 H ATOM 1532 N LEU A 186 20.852 -0.485 35.181 1.00 13.39 N ATOM 1533 CA LEU A 186 20.487 -1.854 34.794 1.00 13.05 C ATOM 1534 C LEU A 186 19.519 -2.443 35.808 1.00 14.57 C ATOM 1535 O LEU A 186 18.630 -3.194 35.431 1.00 14.81 O ATOM 1536 CB LEU A 186 21.694 -2.770 34.643 1.00 13.29 C ATOM 1537 H LEU A 186 21.836 -0.279 35.447 1.00 0.00 H ATOM 1538 N THR A 187 19.732 -2.156 37.094 1.00 11.22 N ATOM 1539 CA THR A 187 18.839 -2.632 38.173 1.00 9.86 C ATOM 1540 C THR A 187 17.430 -2.015 38.000 1.00 13.74 C ATOM 1541 O THR A 187 16.451 -2.738 38.137 1.00 13.57 O ATOM 1542 CB THR A 187 19.490 -2.335 39.543 1.00 10.03 C ATOM 1543 OG1 THR A 187 20.534 -3.294 39.696 1.00 10.88 O ATOM 1544 CG2 THR A 187 18.514 -2.411 40.733 1.00 9.86 C ATOM 1545 HG1 THR A 187 21.186 -3.190 38.959 1.00 0.00 H ATOM 1546 H THR A 187 20.557 -1.576 37.347 1.00 0.00 H ATOM 1547 N ALA A 188 17.331 -0.708 37.674 1.00 12.17 N ATOM 1548 CA ALA A 188 16.047 -0.021 37.476 1.00 12.62 C ATOM 1549 C ALA A 188 15.212 -0.654 36.332 1.00 15.94 C ATOM 1550 O ALA A 188 13.981 -0.737 36.422 1.00 14.37 O ATOM 1551 CB ALA A 188 16.291 1.446 37.199 1.00 14.05 C ATOM 1552 H ALA A 188 18.207 -0.160 37.557 1.00 0.00 H ATOM 1553 N GLU A 189 15.887 -1.097 35.263 1.00 15.05 N ATOM 1554 CA GLU A 189 15.257 -1.763 34.122 1.00 14.60 C ATOM 1555 C GLU A 189 14.625 -3.071 34.604 1.00 19.45 C ATOM 1556 O GLU A 189 13.463 -3.342 34.299 1.00 20.31 O ATOM 1557 CB GLU A 189 16.297 -2.018 33.022 1.00 16.70 C ATOM 1558 CG GLU A 189 16.676 -0.764 32.255 1.00 23.26 C ATOM 1559 CD GLU A 189 17.644 -0.946 31.102 1.00 35.23 C ATOM 1560 OE1 GLU A 189 17.757 -0.005 30.283 1.00 36.59 O ATOM 1561 OE2 GLU A 189 18.278 -2.023 31.003 1.00 25.49 O ATOM 1562 H GLU A 189 16.918 -0.960 35.243 1.00 0.00 H ATOM 1563 N LYS A 190 15.375 -3.832 35.438 1.00 14.99 N ATOM 1564 CA LYS A 190 14.942 -5.089 36.027 1.00 14.45 C ATOM 1565 C LYS A 190 13.766 -4.885 36.974 1.00 19.67 C ATOM 1566 O LYS A 190 12.887 -5.739 37.025 1.00 21.35 O ATOM 1567 CB LYS A 190 16.106 -5.764 36.763 1.00 17.82 C ATOM 1568 CG LYS A 190 16.116 -7.268 36.606 1.00 21.60 C ATOM 1569 CD LYS A 190 16.438 -7.711 35.182 1.00 24.86 C ATOM 1570 CE LYS A 190 16.326 -9.197 35.065 1.00 35.62 C ATOM 1571 NZ LYS A 190 16.702 -9.684 33.728 1.00 36.97 N ATOM 1572 HZ1 LYS A 190 16.076 -9.257 33.016 1.00 0.00 H ATOM 1573 HZ2 LYS A 190 17.688 -9.419 33.528 1.00 0.00 H ATOM 1574 HZ3 LYS A 190 16.608 -10.719 33.698 1.00 0.00 H ATOM 1575 H LYS A 190 16.329 -3.492 35.674 1.00 0.00 H ATOM 1576 N LEU A 191 13.745 -3.759 37.720 1.00 14.98 N ATOM 1577 CA LEU A 191 12.639 -3.426 38.604 1.00 13.70 C ATOM 1578 C LEU A 191 11.400 -3.067 37.782 1.00 20.00 C ATOM 1579 O LEU A 191 10.309 -3.504 38.128 1.00 18.84 O ATOM 1580 CB LEU A 191 13.024 -2.277 39.549 1.00 13.24 C ATOM 1581 CG LEU A 191 14.218 -2.525 40.470 1.00 15.97 C ATOM 1582 CD1 LEU A 191 14.542 -1.261 41.306 1.00 16.28 C ATOM 1583 CD2 LEU A 191 13.977 -3.710 41.412 1.00 16.09 C ATOM 1584 H LEU A 191 14.551 -3.105 37.660 1.00 0.00 H ATOM 1585 N ARG A 192 11.575 -2.349 36.642 1.00 19.21 N ATOM 1586 CA ARG A 192 10.434 -2.023 35.774 1.00 19.24 C ATOM 1587 C ARG A 192 9.913 -3.299 35.073 1.00 25.59 C ATOM 1588 O ARG A 192 8.832 -3.263 34.484 1.00 27.87 O ATOM 1589 CB ARG A 192 10.752 -0.924 34.753 1.00 17.37 C ATOM 1590 CG ARG A 192 11.149 0.419 35.351 1.00 13.86 C ATOM 1591 CD ARG A 192 11.616 1.344 34.243 1.00 22.09 C ATOM 1592 NE ARG A 192 12.260 2.559 34.748 1.00 30.59 N ATOM 1593 CZ ARG A 192 13.507 2.926 34.465 1.00 44.21 C ATOM 1594 NH1 ARG A 192 14.268 2.173 33.680 1.00 32.40 N ATOM 1595 NH2 ARG A 192 14.005 4.046 34.970 1.00 34.18 N ATOM 1596 HE ARG A 192 11.703 3.178 35.371 1.00 0.00 H ATOM 1597 HH12 ARG A 192 15.242 2.466 33.463 1.00 0.00 H ATOM 1598 HH11 ARG A 192 13.890 1.290 33.282 1.00 0.00 H ATOM 1599 HH22 ARG A 192 14.980 4.329 34.746 1.00 0.00 H ATOM 1600 HH21 ARG A 192 13.420 4.642 35.590 1.00 0.00 H ATOM 1601 H ARG A 192 12.528 -2.026 36.380 1.00 0.00 H ATOM 1602 N SER A 193 10.654 -4.435 35.170 1.00 21.98 N ATOM 1603 CA SER A 193 10.213 -5.706 34.583 1.00 23.05 C ATOM 1604 C SER A 193 9.214 -6.409 35.512 1.00 26.46 C ATOM 1605 O SER A 193 8.537 -7.350 35.092 1.00 28.29 O ATOM 1606 CB SER A 193 11.395 -6.619 34.275 1.00 27.44 C ATOM 1607 H SER A 193 11.562 -4.402 35.676 1.00 0.00 H ATOM 1608 N VAL A 194 9.099 -5.919 36.760 1.00 19.62 N ATOM 1609 CA VAL A 194 8.203 -6.429 37.803 1.00 17.47 C ATOM 1610 C VAL A 194 7.082 -5.409 38.093 1.00 23.21 C ATOM 1611 O VAL A 194 5.905 -5.752 38.097 1.00 21.93 O ATOM 1612 CB VAL A 194 9.031 -6.726 39.088 1.00 18.34 C ATOM 1613 CG1 VAL A 194 8.130 -7.158 40.232 1.00 18.14 C ATOM 1614 CG2 VAL A 194 10.109 -7.767 38.820 1.00 18.28 C ATOM 1615 H VAL A 194 9.699 -5.106 37.007 1.00 0.00 H ATOM 1616 N VAL A 195 7.470 -4.154 38.350 1.00 23.33 N ATOM 1617 CA VAL A 195 6.587 -3.035 38.696 1.00 24.16 C ATOM 1618 C VAL A 195 6.367 -2.191 37.442 1.00 33.27 C ATOM 1619 O VAL A 195 7.251 -2.175 36.584 1.00 33.47 O ATOM 1620 CB VAL A 195 7.290 -2.249 39.852 1.00 26.95 C ATOM 1621 CG1 VAL A 195 6.565 -0.967 40.216 1.00 26.75 C ATOM 1622 CG2 VAL A 195 7.461 -3.127 41.093 1.00 26.49 C ATOM 1623 H VAL A 195 8.489 -3.954 38.300 1.00 0.00 H ATOM 1624 N THR A 196 5.201 -1.506 37.298 1.00 31.92 N ATOM 1625 CA THR A 196 4.966 -0.663 36.106 1.00 32.28 C ATOM 1626 C THR A 196 6.048 0.439 36.028 1.00 36.68 C ATOM 1627 O THR A 196 6.314 1.069 37.060 1.00 36.11 O ATOM 1628 CB THR A 196 3.551 -0.063 36.120 1.00 33.72 C ATOM 1629 H THR A 196 4.468 -1.576 38.033 1.00 0.00 H ATOM 1630 N PRO A 197 6.682 0.679 34.845 1.00 33.72 N ATOM 1631 CA PRO A 197 7.736 1.712 34.749 1.00 32.77 C ATOM 1632 C PRO A 197 7.415 3.060 35.400 1.00 35.55 C ATOM 1633 O PRO A 197 8.346 3.741 35.841 1.00 35.99 O ATOM 1634 CB PRO A 197 7.925 1.882 33.239 1.00 35.20 C ATOM 1635 CG PRO A 197 7.626 0.536 32.690 1.00 40.30 C ATOM 1636 CD PRO A 197 6.501 -0.007 33.544 1.00 36.23 C ATOM 1637 N ALA A 198 6.124 3.430 35.493 1.00 30.12 N ATOM 1638 CA ALA A 198 5.700 4.688 36.110 1.00 29.11 C ATOM 1639 C ALA A 198 5.825 4.647 37.636 1.00 30.18 C ATOM 1640 O ALA A 198 6.015 5.702 38.248 1.00 30.46 O ATOM 1641 CB ALA A 198 4.271 5.023 35.709 1.00 30.43 C ATOM 1642 H ALA A 198 5.396 2.794 35.110 1.00 0.00 H ATOM 1643 N ARG A 199 5.746 3.440 38.247 1.00 23.90 N ATOM 1644 CA ARG A 199 5.866 3.284 39.697 1.00 23.02 C ATOM 1645 C ARG A 199 7.341 3.114 40.153 1.00 24.12 C ATOM 1646 O ARG A 199 7.608 3.018 41.357 1.00 23.12 O ATOM 1647 CB ARG A 199 4.968 2.154 40.213 1.00 26.85 C ATOM 1648 CG ARG A 199 3.607 2.675 40.681 1.00 43.05 C ATOM 1649 CD ARG A 199 2.950 1.778 41.714 1.00 56.23 C ATOM 1650 NE ARG A 199 2.239 0.657 41.096 1.00 70.11 N ATOM 1651 CZ ARG A 199 0.914 0.545 41.037 1.00 87.78 C ATOM 1652 NH1 ARG A 199 0.137 1.477 41.577 1.00 79.88 N ATOM 1653 NH2 ARG A 199 0.357 -0.504 40.449 1.00 71.68 N ATOM 1654 HE ARG A 199 2.809 -0.104 40.674 1.00 0.00 H ATOM 1655 HH12 ARG A 199 -0.898 1.384 41.528 1.00 0.00 H ATOM 1656 HH11 ARG A 199 0.563 2.300 42.049 1.00 0.00 H ATOM 1657 HH22 ARG A 199 -0.679 -0.587 40.406 1.00 0.00 H ATOM 1658 HH21 ARG A 199 0.956 -1.245 40.031 1.00 0.00 H ATOM 1659 H ARG A 199 5.594 2.593 37.663 1.00 0.00 H ATOM 1660 N VAL A 200 8.297 3.125 39.203 1.00 19.16 N ATOM 1661 CA VAL A 200 9.720 3.088 39.512 1.00 18.48 C ATOM 1662 C VAL A 200 10.253 4.483 39.178 1.00 20.85 C ATOM 1663 O VAL A 200 10.108 4.944 38.030 1.00 20.14 O ATOM 1664 CB VAL A 200 10.536 1.944 38.820 1.00 23.18 C ATOM 1665 CG1 VAL A 200 11.993 1.951 39.282 1.00 23.38 C ATOM 1666 CG2 VAL A 200 9.922 0.571 39.088 1.00 23.25 C ATOM 1667 H VAL A 200 8.006 3.162 38.205 1.00 0.00 H ATOM 1668 N GLN A 201 10.825 5.181 40.193 1.00 14.39 N ATOM 1669 CA GLN A 201 11.453 6.491 39.979 1.00 14.49 C ATOM 1670 C GLN A 201 12.954 6.312 40.140 1.00 16.76 C ATOM 1671 O GLN A 201 13.403 6.034 41.259 1.00 17.61 O ATOM 1672 CB GLN A 201 10.912 7.572 40.956 1.00 15.70 C ATOM 1673 CG GLN A 201 9.426 7.892 40.828 1.00 28.35 C ATOM 1674 CD GLN A 201 8.759 8.110 42.170 1.00 39.19 C ATOM 1675 OE1 GLN A 201 7.898 7.330 42.599 1.00 33.27 O ATOM 1676 NE2 GLN A 201 9.137 9.167 42.870 1.00 27.49 N ATOM 1677 HE22 GLN A 201 9.862 9.809 42.491 1.00 0.00 H ATOM 1678 HE21 GLN A 201 8.709 9.355 43.799 1.00 0.00 H ATOM 1679 H GLN A 201 10.818 4.775 41.151 1.00 0.00 H ATOM 1680 N PHE A 202 13.717 6.399 39.045 1.00 13.53 N ATOM 1681 CA PHE A 202 15.187 6.274 39.093 1.00 13.27 C ATOM 1682 C PHE A 202 15.791 7.684 39.021 1.00 17.39 C ATOM 1683 O PHE A 202 15.678 8.364 37.979 1.00 17.12 O ATOM 1684 CB PHE A 202 15.726 5.346 37.969 1.00 13.42 C ATOM 1685 CG PHE A 202 17.225 5.124 37.982 1.00 13.78 C ATOM 1686 CD1 PHE A 202 17.852 4.546 39.081 1.00 15.42 C ATOM 1687 CD2 PHE A 202 18.003 5.451 36.875 1.00 15.43 C ATOM 1688 CE1 PHE A 202 19.241 4.351 39.095 1.00 14.74 C ATOM 1689 CE2 PHE A 202 19.390 5.253 36.894 1.00 17.14 C ATOM 1690 CZ PHE A 202 19.989 4.680 37.991 1.00 14.92 C ATOM 1691 H PHE A 202 13.258 6.561 38.126 1.00 0.00 H ATOM 1692 N LYS A 203 16.398 8.133 40.145 1.00 13.68 N ATOM 1693 CA LYS A 203 16.973 9.488 40.250 1.00 12.33 C ATOM 1694 C LYS A 203 18.485 9.450 40.354 1.00 14.39 C ATOM 1695 O LYS A 203 19.047 8.753 41.203 1.00 13.21 O ATOM 1696 CB LYS A 203 16.387 10.250 41.459 1.00 14.30 C ATOM 1697 CG LYS A 203 14.872 10.450 41.392 1.00 28.93 C ATOM 1698 CD LYS A 203 14.340 11.386 42.473 1.00 29.92 C ATOM 1699 CE LYS A 203 12.833 11.492 42.399 1.00 39.45 C ATOM 1700 NZ LYS A 203 12.307 12.626 43.209 1.00 48.64 N ATOM 1701 HZ1 LYS A 203 12.573 12.491 44.205 1.00 0.00 H ATOM 1702 HZ2 LYS A 203 12.711 13.518 42.858 1.00 0.00 H ATOM 1703 HZ3 LYS A 203 11.271 12.658 43.127 1.00 0.00 H ATOM 1704 H LYS A 203 16.461 7.498 40.966 1.00 0.00 H ATOM 1705 N THR A 204 19.157 10.185 39.489 1.00 12.37 N ATOM 1706 CA THR A 204 20.605 10.221 39.575 1.00 12.66 C ATOM 1707 C THR A 204 21.029 11.624 39.906 1.00 18.42 C ATOM 1708 O THR A 204 20.370 12.612 39.529 1.00 18.12 O ATOM 1709 CB THR A 204 21.310 9.643 38.361 1.00 20.48 C ATOM 1710 OG1 THR A 204 21.100 10.484 37.231 1.00 17.09 O ATOM 1711 CG2 THR A 204 20.887 8.218 38.074 1.00 18.16 C ATOM 1712 HG1 THR A 204 21.462 11.386 37.420 1.00 0.00 H ATOM 1713 H THR A 204 18.657 10.730 38.757 1.00 0.00 H ATOM 1714 N TYR A 205 22.129 11.699 40.635 1.00 15.68 N ATOM 1715 CA TYR A 205 22.631 12.941 41.157 1.00 14.84 C ATOM 1716 C TYR A 205 24.032 13.220 40.627 1.00 18.58 C ATOM 1717 O TYR A 205 24.954 12.453 40.925 1.00 17.48 O ATOM 1718 CB TYR A 205 22.587 12.880 42.708 1.00 14.75 C ATOM 1719 CG TYR A 205 21.172 12.750 43.239 1.00 15.02 C ATOM 1720 CD1 TYR A 205 20.377 13.879 43.437 1.00 17.02 C ATOM 1721 CD2 TYR A 205 20.571 11.501 43.384 1.00 14.62 C ATOM 1722 CE1 TYR A 205 19.044 13.769 43.820 1.00 15.27 C ATOM 1723 CE2 TYR A 205 19.231 11.380 43.758 1.00 14.50 C ATOM 1724 CZ TYR A 205 18.487 12.516 44.021 1.00 19.61 C ATOM 1725 OH TYR A 205 17.169 12.407 44.395 1.00 19.89 O ATOM 1726 HH TYR A 205 16.793 13.311 44.542 1.00 0.00 H ATOM 1727 H TYR A 205 22.653 10.824 40.839 1.00 0.00 H ATOM 1728 N PRO A 206 24.212 14.314 39.842 1.00 16.26 N ATOM 1729 CA PRO A 206 25.567 14.657 39.349 1.00 17.34 C ATOM 1730 C PRO A 206 26.503 15.028 40.497 1.00 21.12 C ATOM 1731 O PRO A 206 26.043 15.550 41.516 1.00 21.43 O ATOM 1732 CB PRO A 206 25.332 15.870 38.437 1.00 20.10 C ATOM 1733 CG PRO A 206 23.841 15.906 38.190 1.00 24.16 C ATOM 1734 CD PRO A 206 23.210 15.310 39.397 1.00 19.04 C ATOM 1735 N GLY A 207 27.798 14.750 40.330 1.00 17.16 N ATOM 1736 CA GLY A 207 28.803 15.068 41.340 1.00 17.16 C ATOM 1737 C GLY A 207 28.662 14.364 42.674 1.00 19.94 C ATOM 1738 O GLY A 207 29.286 14.782 43.652 1.00 19.89 O ATOM 1739 H GLY A 207 28.102 14.290 39.448 1.00 0.00 H ATOM 1740 N VAL A 208 27.832 13.307 42.737 1.00 13.11 N ATOM 1741 CA VAL A 208 27.681 12.538 43.964 1.00 11.95 C ATOM 1742 C VAL A 208 28.330 11.166 43.765 1.00 16.13 C ATOM 1743 O VAL A 208 28.110 10.507 42.759 1.00 16.63 O ATOM 1744 CB VAL A 208 26.212 12.454 44.446 1.00 14.09 C ATOM 1745 CG1 VAL A 208 26.094 11.563 45.681 1.00 12.06 C ATOM 1746 CG2 VAL A 208 25.675 13.854 44.746 1.00 14.62 C ATOM 1747 H VAL A 208 27.288 13.034 41.894 1.00 0.00 H ATOM 1748 N MET A 209 29.108 10.741 44.744 1.00 14.84 N ATOM 1749 CA MET A 209 29.842 9.489 44.717 1.00 12.90 C ATOM 1750 C MET A 209 29.095 8.405 45.533 1.00 13.01 C ATOM 1751 O MET A 209 27.857 8.328 45.404 1.00 12.40 O ATOM 1752 CB MET A 209 31.273 9.757 45.206 1.00 16.22 C ATOM 1753 CG MET A 209 32.092 10.630 44.230 1.00 21.27 C ATOM 1754 SD MET A 209 33.659 11.207 44.958 1.00 28.20 S ATOM 1755 CE MET A 209 33.056 12.557 45.972 1.00 25.31 C ATOM 1756 H MET A 209 29.201 11.342 45.588 1.00 0.00 H ATOM 1757 N HIS A 210 29.826 7.553 46.305 1.00 9.42 N ATOM 1758 CA HIS A 210 29.212 6.467 47.066 1.00 9.47 C ATOM 1759 C HIS A 210 28.817 7.028 48.414 1.00 14.08 C ATOM 1760 O HIS A 210 29.563 6.897 49.405 1.00 13.60 O ATOM 1761 CB HIS A 210 30.148 5.247 47.202 1.00 10.32 C ATOM 1762 CG HIS A 210 29.424 4.009 47.669 1.00 11.28 C ATOM 1763 ND1 HIS A 210 28.373 3.462 46.938 1.00 11.24 N ATOM 1764 CD2 HIS A 210 29.592 3.281 48.803 1.00 10.35 C ATOM 1765 CE1 HIS A 210 27.987 2.387 47.611 1.00 9.93 C ATOM 1766 NE2 HIS A 210 28.686 2.241 48.742 1.00 10.07 N ATOM 1767 H HIS A 210 30.857 7.680 46.354 1.00 0.00 H ATOM 1768 N SER A 211 27.686 7.750 48.411 1.00 8.95 N ATOM 1769 CA SER A 211 27.150 8.460 49.577 1.00 10.54 C ATOM 1770 C SER A 211 25.732 8.938 49.338 1.00 14.64 C ATOM 1771 O SER A 211 25.177 8.760 48.254 1.00 15.46 O ATOM 1772 CB SER A 211 28.006 9.704 49.840 1.00 17.18 C ATOM 1773 OG SER A 211 27.821 10.690 48.831 1.00 25.66 O ATOM 1774 HG SER A 211 26.870 10.963 48.809 1.00 0.00 H ATOM 1775 H SER A 211 27.153 7.810 47.520 1.00 0.00 H ATOM 1776 N SER A 212 25.193 9.613 50.348 1.00 14.16 N ATOM 1777 CA SER A 212 23.897 10.274 50.268 1.00 12.87 C ATOM 1778 C SER A 212 24.184 11.757 49.946 1.00 15.90 C ATOM 1779 O SER A 212 25.348 12.125 49.779 1.00 15.22 O ATOM 1780 CB SER A 212 23.109 10.092 51.567 1.00 15.45 C ATOM 1781 OG SER A 212 23.624 10.865 52.639 1.00 17.84 O ATOM 1782 HG SER A 212 23.078 10.708 53.450 1.00 0.00 H ATOM 1783 H SER A 212 25.723 9.672 51.241 1.00 0.00 H ATOM 1784 N CYS A 213 23.158 12.582 49.822 1.00 11.39 N ATOM 1785 CA CYS A 213 23.307 14.009 49.569 1.00 11.85 C ATOM 1786 C CYS A 213 22.010 14.689 49.977 1.00 13.96 C ATOM 1787 O CYS A 213 20.976 14.025 49.984 1.00 13.29 O ATOM 1788 CB CYS A 213 23.706 14.327 48.128 1.00 12.47 C ATOM 1789 SG CYS A 213 22.469 13.880 46.886 1.00 15.97 S ATOM 1790 H CYS A 213 22.197 12.193 49.909 1.00 0.00 H ATOM 1791 N PRO A 214 22.020 15.986 50.342 1.00 13.17 N ATOM 1792 CA PRO A 214 20.766 16.621 50.775 1.00 12.66 C ATOM 1793 C PRO A 214 19.608 16.494 49.755 1.00 12.71 C ATOM 1794 O PRO A 214 18.494 16.279 50.211 1.00 10.61 O ATOM 1795 CB PRO A 214 21.177 18.070 51.000 1.00 14.35 C ATOM 1796 CG PRO A 214 22.617 17.956 51.414 1.00 19.55 C ATOM 1797 CD PRO A 214 23.160 16.918 50.486 1.00 16.05 C ATOM 1798 N GLN A 215 19.857 16.539 48.414 1.00 11.21 N ATOM 1799 CA GLN A 215 18.768 16.394 47.415 1.00 10.05 C ATOM 1800 C GLN A 215 18.146 14.992 47.452 1.00 13.08 C ATOM 1801 O GLN A 215 16.922 14.858 47.363 1.00 13.35 O ATOM 1802 CB GLN A 215 19.200 16.754 45.972 1.00 10.35 C ATOM 1803 CG GLN A 215 19.216 18.281 45.707 1.00 24.52 C ATOM 1804 CD GLN A 215 17.946 19.040 46.107 1.00 42.71 C ATOM 1805 OE1 GLN A 215 16.806 18.593 45.907 1.00 34.20 O ATOM 1806 NE2 GLN A 215 18.116 20.217 46.694 1.00 35.56 N ATOM 1807 HE22 GLN A 215 19.076 20.583 46.857 1.00 0.00 H ATOM 1808 HE21 GLN A 215 17.290 20.774 46.991 1.00 0.00 H ATOM 1809 H GLN A 215 20.833 16.678 48.084 1.00 0.00 H ATOM 1810 N GLU A 216 18.966 13.969 47.641 1.00 10.24 N ATOM 1811 CA GLU A 216 18.483 12.587 47.759 1.00 10.11 C ATOM 1812 C GLU A 216 17.616 12.466 49.016 1.00 11.40 C ATOM 1813 O GLU A 216 16.520 11.914 48.939 1.00 10.41 O ATOM 1814 CB GLU A 216 19.668 11.619 47.846 1.00 11.38 C ATOM 1815 CG GLU A 216 19.249 10.177 48.083 1.00 19.04 C ATOM 1816 CD GLU A 216 20.416 9.246 48.305 1.00 25.21 C ATOM 1817 OE1 GLU A 216 20.843 9.094 49.469 1.00 29.44 O ATOM 1818 OE2 GLU A 216 20.894 8.652 47.316 1.00 19.04 O ATOM 1819 H GLU A 216 19.988 14.151 47.708 1.00 0.00 H ATOM 1820 N MET A 217 18.111 13.001 50.180 1.00 8.65 N ATOM 1821 CA MET A 217 17.362 12.926 51.449 1.00 8.93 C ATOM 1822 C MET A 217 16.016 13.629 51.310 1.00 12.38 C ATOM 1823 O MET A 217 15.035 13.137 51.881 1.00 10.54 O ATOM 1824 CB MET A 217 18.150 13.508 52.639 1.00 11.55 C ATOM 1825 CG MET A 217 19.354 12.684 53.061 1.00 15.29 C ATOM 1826 SD MET A 217 19.009 10.974 53.562 1.00 18.91 S ATOM 1827 CE MET A 217 17.960 11.282 55.034 1.00 16.02 C ATOM 1828 H MET A 217 19.038 13.471 50.167 1.00 0.00 H ATOM 1829 N ALA A 218 15.963 14.761 50.520 1.00 9.56 N ATOM 1830 CA ALA A 218 14.737 15.502 50.252 1.00 9.08 C ATOM 1831 C ALA A 218 13.777 14.671 49.394 1.00 12.63 C ATOM 1832 O ALA A 218 12.580 14.683 49.654 1.00 11.76 O ATOM 1833 CB ALA A 218 15.052 16.827 49.561 1.00 9.50 C ATOM 1834 H ALA A 218 16.847 15.103 50.093 1.00 0.00 H ATOM 1835 N ALA A 219 14.301 13.954 48.381 1.00 11.76 N ATOM 1836 CA ALA A 219 13.501 13.063 47.534 1.00 10.20 C ATOM 1837 C ALA A 219 12.889 11.958 48.377 1.00 12.46 C ATOM 1838 O ALA A 219 11.716 11.606 48.173 1.00 11.98 O ATOM 1839 CB ALA A 219 14.370 12.459 46.437 1.00 11.21 C ATOM 1840 H ALA A 219 15.320 14.036 48.191 1.00 0.00 H ATOM 1841 N VAL A 220 13.690 11.382 49.301 1.00 9.01 N ATOM 1842 CA VAL A 220 13.197 10.330 50.183 1.00 7.33 C ATOM 1843 C VAL A 220 12.038 10.896 51.022 1.00 9.35 C ATOM 1844 O VAL A 220 11.015 10.225 51.155 1.00 9.64 O ATOM 1845 CB VAL A 220 14.309 9.702 51.053 1.00 9.35 C ATOM 1846 CG1 VAL A 220 13.741 8.662 52.032 1.00 10.61 C ATOM 1847 CG2 VAL A 220 15.397 9.065 50.164 1.00 7.34 C ATOM 1848 H VAL A 220 14.678 11.695 49.385 1.00 0.00 H ATOM 1849 N LYS A 221 12.227 12.079 51.639 1.00 5.52 N ATOM 1850 CA LYS A 221 11.191 12.711 52.440 1.00 5.46 C ATOM 1851 C LYS A 221 9.901 12.908 51.617 1.00 10.83 C ATOM 1852 O LYS A 221 8.828 12.542 52.089 1.00 12.02 O ATOM 1853 CB LYS A 221 11.683 14.040 53.007 1.00 9.23 C ATOM 1854 CG LYS A 221 10.678 14.599 54.010 1.00 16.41 C ATOM 1855 CD LYS A 221 11.174 15.821 54.706 1.00 17.30 C ATOM 1856 CE LYS A 221 10.101 16.315 55.660 1.00 26.85 C ATOM 1857 NZ LYS A 221 10.569 17.473 56.457 1.00 25.27 N ATOM 1858 HZ1 LYS A 221 11.401 17.195 57.015 1.00 0.00 H ATOM 1859 HZ2 LYS A 221 10.824 18.252 55.817 1.00 0.00 H ATOM 1860 HZ3 LYS A 221 9.809 17.782 57.096 1.00 0.00 H ATOM 1861 H LYS A 221 13.145 12.556 51.539 1.00 0.00 H ATOM 1862 N GLU A 222 10.009 13.518 50.402 1.00 9.94 N ATOM 1863 CA GLU A 222 8.871 13.749 49.512 1.00 8.29 C ATOM 1864 C GLU A 222 8.172 12.423 49.123 1.00 13.97 C ATOM 1865 O GLU A 222 6.945 12.351 49.186 1.00 12.83 O ATOM 1866 CB GLU A 222 9.333 14.487 48.250 1.00 8.91 C ATOM 1867 CG GLU A 222 9.656 15.946 48.515 1.00 19.20 C ATOM 1868 CD GLU A 222 10.032 16.816 47.331 1.00 24.91 C ATOM 1869 OE1 GLU A 222 10.073 16.297 46.192 1.00 17.79 O ATOM 1870 OE2 GLU A 222 10.315 18.018 47.551 1.00 21.01 O ATOM 1871 H GLU A 222 10.950 13.836 50.092 1.00 0.00 H ATOM 1872 N PHE A 223 8.953 11.366 48.781 1.00 11.64 N ATOM 1873 CA PHE A 223 8.430 10.041 48.402 1.00 10.01 C ATOM 1874 C PHE A 223 7.603 9.433 49.562 1.00 12.66 C ATOM 1875 O PHE A 223 6.463 9.020 49.347 1.00 12.79 O ATOM 1876 CB PHE A 223 9.594 9.092 48.022 1.00 11.02 C ATOM 1877 CG PHE A 223 9.224 7.658 47.738 1.00 11.34 C ATOM 1878 CD1 PHE A 223 8.563 7.314 46.567 1.00 13.28 C ATOM 1879 CD2 PHE A 223 9.545 6.644 48.636 1.00 11.91 C ATOM 1880 CE1 PHE A 223 8.210 5.991 46.306 1.00 13.23 C ATOM 1881 CE2 PHE A 223 9.197 5.315 48.368 1.00 14.04 C ATOM 1882 CZ PHE A 223 8.525 5.000 47.198 1.00 12.90 C ATOM 1883 H PHE A 223 9.984 11.500 48.787 1.00 0.00 H ATOM 1884 N LEU A 224 8.166 9.429 50.780 1.00 9.66 N ATOM 1885 CA LEU A 224 7.515 8.865 51.969 1.00 8.41 C ATOM 1886 C LEU A 224 6.303 9.685 52.403 1.00 13.52 C ATOM 1887 O LEU A 224 5.322 9.114 52.886 1.00 12.74 O ATOM 1888 CB LEU A 224 8.502 8.748 53.140 1.00 8.45 C ATOM 1889 CG LEU A 224 9.655 7.744 52.940 1.00 10.84 C ATOM 1890 CD1 LEU A 224 10.664 7.814 54.091 1.00 11.52 C ATOM 1891 CD2 LEU A 224 9.172 6.335 52.659 1.00 10.40 C ATOM 1892 H LEU A 224 9.112 9.847 50.887 1.00 0.00 H ATOM 1893 N GLU A 225 6.356 11.017 52.244 1.00 14.00 N ATOM 1894 CA GLU A 225 5.199 11.859 52.618 1.00 15.83 C ATOM 1895 C GLU A 225 3.979 11.515 51.742 1.00 20.19 C ATOM 1896 O GLU A 225 2.868 11.446 52.257 1.00 21.11 O ATOM 1897 CB GLU A 225 5.530 13.355 52.504 1.00 17.78 C ATOM 1898 CG GLU A 225 4.621 14.253 53.324 1.00 33.41 C ATOM 1899 CD GLU A 225 5.211 15.621 53.605 1.00 53.22 C ATOM 1900 H GLU A 225 7.214 11.459 51.856 1.00 0.00 H ATOM 1901 N LYS A 226 4.204 11.294 50.432 1.00 17.56 N ATOM 1902 CA LYS A 226 3.158 10.969 49.466 1.00 16.95 C ATOM 1903 C LYS A 226 2.731 9.511 49.615 1.00 18.34 C ATOM 1904 O LYS A 226 1.547 9.196 49.451 1.00 19.20 O ATOM 1905 CB LYS A 226 3.654 11.246 48.033 1.00 20.71 C ATOM 1906 CG LYS A 226 2.521 11.449 47.031 1.00 41.72 C ATOM 1907 CD LYS A 226 3.035 11.667 45.618 1.00 46.28 C ATOM 1908 CE LYS A 226 1.901 11.749 44.629 1.00 56.77 C ATOM 1909 NZ LYS A 226 2.398 11.950 43.246 1.00 63.05 N ATOM 1910 HZ1 LYS A 226 2.941 12.836 43.199 1.00 0.00 H ATOM 1911 HZ2 LYS A 226 3.010 11.153 42.980 1.00 0.00 H ATOM 1912 HZ3 LYS A 226 1.590 12.002 42.593 1.00 0.00 H ATOM 1913 H LYS A 226 5.183 11.359 50.087 1.00 0.00 H ATOM 1914 N LEU A 227 3.695 8.622 49.883 1.00 11.55 N ATOM 1915 CA LEU A 227 3.424 7.198 50.015 1.00 10.21 C ATOM 1916 C LEU A 227 2.813 6.820 51.369 1.00 14.38 C ATOM 1917 O LEU A 227 2.017 5.873 51.439 1.00 15.80 O ATOM 1918 CB LEU A 227 4.712 6.394 49.787 1.00 9.30 C ATOM 1919 CG LEU A 227 4.566 4.878 49.715 1.00 14.03 C ATOM 1920 CD1 LEU A 227 3.665 4.464 48.559 1.00 14.97 C ATOM 1921 CD2 LEU A 227 5.903 4.236 49.595 1.00 12.95 C ATOM 1922 H LEU A 227 4.671 8.960 50.001 1.00 0.00 H ATOM 1923 N LEU A 228 3.195 7.514 52.455 1.00 12.10 N ATOM 1924 CA LEU A 228 2.697 7.157 53.791 1.00 11.13 C ATOM 1925 C LEU A 228 1.982 8.364 54.419 1.00 15.33 C ATOM 1926 O LEU A 228 2.486 8.912 55.401 1.00 14.54 O ATOM 1927 CB LEU A 228 3.851 6.660 54.713 1.00 11.50 C ATOM 1928 CG LEU A 228 4.723 5.497 54.197 1.00 14.18 C ATOM 1929 CD1 LEU A 228 5.904 5.274 55.104 1.00 13.63 C ATOM 1930 CD2 LEU A 228 3.907 4.181 54.075 1.00 15.40 C ATOM 1931 H LEU A 228 3.851 8.314 52.349 1.00 0.00 H ATOM 1932 N PRO A 229 0.852 8.846 53.842 1.00 13.88 N ATOM 1933 CA PRO A 229 0.188 10.017 54.438 1.00 14.44 C ATOM 1934 C PRO A 229 -0.375 9.707 55.819 1.00 18.00 C ATOM 1935 O PRO A 229 -0.624 8.529 56.135 1.00 16.56 O ATOM 1936 CB PRO A 229 -0.916 10.356 53.426 1.00 16.92 C ATOM 1937 CG PRO A 229 -1.225 9.069 52.757 1.00 20.68 C ATOM 1938 CD PRO A 229 0.086 8.336 52.677 1.00 15.78 C ATOM 1939 N PRO A 230 -0.580 10.745 56.669 1.00 15.66 N ATOM 1940 CA PRO A 230 -1.146 10.488 58.001 1.00 16.56 C ATOM 1941 C PRO A 230 -2.478 9.765 57.915 1.00 21.40 C ATOM 1942 O PRO A 230 -3.274 10.053 57.020 1.00 22.99 O ATOM 1943 CB PRO A 230 -1.335 11.894 58.587 1.00 18.49 C ATOM 1944 CG PRO A 230 -0.377 12.745 57.826 1.00 21.32 C ATOM 1945 CD PRO A 230 -0.326 12.188 56.461 1.00 16.87 C ATOM 1946 N VAL A 231 -2.674 8.790 58.823 1.00 17.79 N ATOM 1947 CA VAL A 231 -3.850 7.939 59.043 1.00 47.33 C ATOM 1948 C VAL A 231 -4.204 7.180 57.770 1.00 73.06 C ATOM 1949 O VAL A 231 -4.125 5.959 57.778 1.00 37.66 O ATOM 1950 CB VAL A 231 -5.082 8.687 59.625 1.00 52.00 C ATOM 1951 CG1 VAL A 231 -6.108 7.696 60.166 1.00 51.90 C ATOM 1952 CG2 VAL A 231 -4.674 9.669 60.723 1.00 52.16 C ATOM 1953 H VAL A 231 -1.874 8.614 59.463 1.00 0.00 H TER 1954 VAL A 231 HETATM 1955 O HOH 1 -0.321 8.837 64.191 1.00 17.88 O HETATM 1956 O HOH 2 -3.366 0.647 55.035 1.00 17.09 O HETATM 1957 O HOH 3 -1.649 0.858 62.168 1.00 18.56 O HETATM 1958 O HOH 4 22.375 9.472 67.554 1.00 30.89 O HETATM 1959 O HOH 5 12.967 4.661 69.548 1.00 12.15 O HETATM 1960 O HOH 6 22.447 -9.719 40.865 1.00 10.87 O HETATM 1961 O HOH 7 20.033 -7.209 62.603 1.00 46.15 O HETATM 1962 O HOH 8 25.791 6.493 44.689 1.00 14.19 O HETATM 1963 O HOH 9 -1.335 8.368 61.027 1.00 13.60 O HETATM 1964 O HOH 10 10.324 10.445 56.141 1.00 11.20 O HETATM 1965 O HOH 11 24.148 3.701 59.467 1.00 11.27 O HETATM 1966 O HOH 12 2.159 0.790 47.246 1.00 16.19 O HETATM 1967 O HOH 13 1.424 -4.887 70.038 1.00 23.96 O HETATM 1968 O HOH 14 -2.322 -9.618 65.202 1.00 22.30 O HETATM 1969 O HOH 15 22.078 11.562 54.675 1.00 21.49 O HETATM 1970 O HOH 16 23.871 -13.287 40.721 1.00 16.59 O HETATM 1971 O HOH 17 25.971 -12.387 39.247 1.00 22.53 O HETATM 1972 O HOH 18 20.894 13.759 36.387 1.00 39.37 O HETATM 1973 O HOH 19 29.609 -2.659 42.091 1.00 28.96 O HETATM 1974 O HOH 20 36.466 -12.802 46.091 1.00 15.28 O HETATM 1975 O HOH 21 0.916 -2.628 48.599 1.00 32.28 O HETATM 1976 O HOH 22 4.859 6.576 68.671 1.00 17.41 O HETATM 1977 O HOH 23 8.381 10.641 44.970 1.00 24.13 O HETATM 1978 O HOH 24 22.572 -11.028 57.415 1.00 20.66 O HETATM 1979 O HOH 25 20.304 -0.620 59.247 1.00 7.82 O HETATM 1980 O HOH 26 11.219 -16.206 44.617 1.00 27.43 O HETATM 1981 O HOH 27 23.765 10.515 60.018 1.00 18.11 O HETATM 1982 O HOH 28 13.678 0.911 31.350 1.00 27.40 O HETATM 1983 O HOH 29 27.684 -1.862 50.949 1.00 9.48 O HETATM 1984 O HOH 30 18.605 -22.043 46.153 1.00 51.29 O HETATM 1985 O HOH 31 26.199 -9.299 46.124 1.00 12.37 O HETATM 1986 O HOH 32 39.638 -13.772 49.933 1.00 24.39 O HETATM 1987 O HOH 33 10.830 15.901 58.976 1.00 22.22 O HETATM 1988 O HOH 34 29.260 8.662 35.398 1.00 31.84 O HETATM 1989 O HOH 35 25.140 -11.803 57.900 1.00 17.02 O HETATM 1990 O HOH 36 20.660 2.492 43.151 1.00 8.71 O HETATM 1991 O HOH 37 15.445 -0.395 68.676 1.00 14.09 O HETATM 1992 O HOH 38 25.764 2.457 55.365 1.00 12.55 O HETATM 1993 O HOH 39 26.521 -6.983 64.617 1.00 23.64 O HETATM 1994 O HOH 40 19.397 11.688 65.874 1.00 25.70 O HETATM 1995 O HOH 41 5.509 8.653 46.780 1.00 25.84 O HETATM 1996 O HOH 42 23.121 -8.216 64.420 1.00 26.40 O HETATM 1997 O HOH 43 23.114 13.544 53.119 1.00 30.34 O HETATM 1998 O HOH 44 26.763 -11.889 47.295 1.00 17.04 O HETATM 1999 O HOH 45 -1.905 2.139 59.434 1.00 15.59 O HETATM 2000 O HOH 46 29.839 -17.096 50.074 1.00 25.38 O HETATM 2001 O HOH 47 9.403 9.519 63.691 1.00 15.25 O HETATM 2002 O HOH 48 13.220 17.500 57.338 1.00 23.19 O HETATM 2003 O HOH 49 9.346 19.681 45.525 1.00 16.29 O HETATM 2004 O HOH 50 5.480 -6.738 48.367 1.00 21.40 O HETATM 2005 O HOH 51 29.136 5.940 38.504 1.00 14.43 O HETATM 2006 O HOH 52 29.680 -10.986 45.023 1.00 9.07 O HETATM 2007 O HOH 53 33.300 -2.522 59.794 1.00 22.78 O HETATM 2008 O HOH 54 15.101 -13.168 33.246 1.00 28.52 O HETATM 2009 O HOH 55 34.435 -15.260 53.748 1.00 38.16 O HETATM 2010 O HOH 56 28.609 0.662 51.109 1.00 12.49 O HETATM 2011 O HOH 57 19.748 13.457 63.594 1.00 19.10 O HETATM 2012 O HOH 58 18.875 -8.179 64.617 1.00 21.29 O HETATM 2013 O HOH 59 10.672 11.989 45.536 1.00 19.57 O HETATM 2014 O HOH 60 2.604 -4.280 47.113 1.00 28.70 O HETATM 2015 O HOH 61 23.313 -13.945 55.341 1.00 32.03 O HETATM 2016 O HOH 62 15.443 14.543 43.530 1.00 27.95 O HETATM 2017 O HOH 63 38.140 -15.019 59.258 1.00 25.40 O HETATM 2018 O HOH 64 32.466 7.870 47.446 1.00 14.05 O HETATM 2019 O HOH 65 29.592 12.394 47.081 1.00 17.24 O HETATM 2020 O HOH 66 27.221 -10.355 65.020 1.00 18.11 O HETATM 2021 O HOH 67 21.654 5.304 68.396 1.00 23.80 O HETATM 2022 O HOH 68 26.341 -3.824 62.386 1.00 12.87 O HETATM 2023 O HOH 69 -1.087 -6.073 59.572 1.00 21.58 O HETATM 2024 O HOH 70 18.954 -19.841 52.561 1.00 18.04 O HETATM 2025 O HOH 71 0.887 13.672 51.981 1.00 37.51 O HETATM 2026 O HOH 72 20.425 -11.346 58.730 1.00 21.68 O HETATM 2027 O HOH 73 16.412 -13.562 65.652 1.00 28.56 O HETATM 2028 O HOH 74 6.974 -10.934 54.998 1.00 18.13 O HETATM 2029 O HOH 75 34.107 -9.128 39.558 1.00 24.65 O HETATM 2030 O HOH 76 12.395 7.287 36.433 1.00 29.34 O HETATM 2031 O HOH 77 35.149 -12.976 42.201 1.00 20.96 O HETATM 2032 O HOH 78 17.384 2.692 33.363 1.00 21.47 O HETATM 2033 O HOH 79 11.921 19.519 54.566 1.00 23.78 O HETATM 2034 O HOH 80 28.713 3.521 34.935 1.00 20.98 O HETATM 2035 O HOH 81 18.388 14.784 40.825 1.00 37.57 O HETATM 2036 O HOH 82 25.300 -3.249 68.533 1.00 34.74 O HETATM 2037 O HOH 83 8.806 -18.078 67.871 1.00 30.74 O HETATM 2038 O HOH 84 10.340 -15.588 57.360 1.00 27.01 O HETATM 2039 O HOH 85 21.672 -13.979 39.249 1.00 18.49 O HETATM 2040 O HOH 86 8.478 11.844 64.698 1.00 18.56 O HETATM 2041 O HOH 87 26.581 -15.392 38.648 1.00 25.75 O HETATM 2042 O HOH 88 13.944 -19.565 47.925 1.00 37.75 O HETATM 2043 O HOH 89 3.991 2.211 33.165 1.00 30.78 O HETATM 2044 O HOH 90 -6.269 4.441 55.272 1.00 16.07 O HETATM 2045 O HOH 91 22.222 13.107 60.004 1.00 20.42 O HETATM 2046 O HOH 92 10.511 17.178 68.514 1.00 36.41 O HETATM 2047 O HOH 93 7.897 14.493 64.351 1.00 27.80 O HETATM 2048 O HOH 94 12.008 3.942 30.875 1.00 34.38 O HETATM 2049 O HOH 95 -0.664 10.862 62.443 1.00 24.01 O HETATM 2050 O HOH 96 20.189 -10.434 61.200 1.00 23.55 O HETATM 2051 O HOH 97 31.868 11.763 48.924 1.00 26.42 O HETATM 2052 O HOH 98 33.232 -14.076 38.199 1.00 31.59 O HETATM 2053 O HOH 99 17.180 -7.845 62.034 1.00 23.01 O HETATM 2054 O HOH 100 -1.832 -8.681 53.044 1.00 29.55 O HETATM 2055 O HOH 101 23.649 -16.401 41.346 1.00 33.96 O HETATM 2056 O HOH 102 19.044 -21.537 50.461 1.00 28.74 O HETATM 2057 O HOH 103 4.808 15.653 66.530 1.00 47.12 O HETATM 2058 O HOH 104 33.826 -16.953 44.119 1.00 37.49 O HETATM 2059 C21 UNN A 105 25.296 -5.178 39.048 1.00 -0.05 C HETATM 2060 C4 UNN A 105 25.199 -6.259 39.921 1.00 0.03 C HETATM 2061 N UNN A 105 26.302 -6.634 40.746 1.00 -0.31 N HETATM 2062 C5 UNN A 105 26.939 -5.575 41.535 1.00 0.04 C HETATM 2063 C6 UNN A 105 28.274 -6.041 42.040 1.00 0.05 C HETATM 2064 N1 UNN A 105 28.101 -7.237 42.870 1.00 -0.27 N HETATM 2065 C19 UNN A 105 27.520 -8.330 42.084 1.00 0.05 C HETATM 2066 C20 UNN A 105 26.191 -7.899 41.483 1.00 0.04 C HETATM 2067 H20 UNN A 105 25.459 -7.774 42.294 1.00 0.05 H HETATM 2068 H21 UNN A 105 25.843 -8.682 40.793 1.00 0.05 H HETATM 2069 H10 UNN A 105 27.358 -9.200 42.737 1.00 0.05 H HETATM 2070 H11 UNN A 105 28.213 -8.603 41.274 1.00 0.05 H HETATM 2071 C7 UNN A 105 28.466 -7.412 44.158 1.00 0.21 C HETATM 2072 C8 UNN A 105 29.046 -6.309 44.962 1.00 0.10 C HETATM 2073 S1 UNN A 105 30.432 -6.620 45.948 1.00 -0.03 S HETATM 2074 C11 UNN A 105 30.434 -4.976 46.545 1.00 0.04 C HETATM 2075 C10 UNN A 105 29.393 -4.240 45.997 1.00 -0.02 C HETATM 2076 C18 UNN A 105 29.173 -2.816 46.402 1.00 0.10 C HETATM 2077 S UNN A 105 29.561 -2.541 48.091 1.00 0.00 S HETATM 2078 C17 UNN A 105 31.112 -3.247 48.190 1.00 0.09 C HETATM 2079 C12 UNN A 105 31.402 -4.408 47.459 1.00 0.01 C HETATM 2080 C13 UNN A 105 32.665 -4.988 47.614 1.00 -0.06 C HETATM 2081 C14 UNN A 105 33.602 -4.423 48.467 1.00 -0.06 C HETATM 2082 C15 UNN A 105 33.297 -3.278 49.180 1.00 -0.06 C HETATM 2083 C16 UNN A 105 32.052 -2.679 49.043 1.00 -0.04 C HETATM 2084 H19 UNN A 105 31.815 -1.777 49.596 1.00 0.06 H HETATM 2085 H12 UNN A 105 34.033 -2.846 49.849 1.00 0.06 H HETATM 2086 H18 UNN A 105 34.578 -4.881 48.575 1.00 0.06 H HETATM 2087 H7 UNN A 105 32.914 -5.887 47.063 1.00 0.06 H HETATM 2088 O1 UNN A 105 29.649 -1.130 48.352 1.00 -0.17 O HETATM 2089 O2 UNN A 105 28.610 -3.310 48.845 1.00 -0.17 O HETATM 2090 H8 UNN A 105 28.117 -2.559 46.235 1.00 0.06 H HETATM 2091 H9 UNN A 105 29.811 -2.169 45.782 1.00 0.06 H HETATM 2092 C9 UNN A 105 28.609 -5.009 45.091 1.00 -0.04 C HETATM 2093 H17 UNN A 105 27.750 -4.610 44.554 1.00 0.05 H HETATM 2094 O3 UNN A 105 28.383 -8.504 44.705 1.00 -0.39 O HETATM 2095 H2 UNN A 105 28.736 -5.244 42.641 1.00 0.05 H HETATM 2096 H3 UNN A 105 28.924 -6.280 41.186 1.00 0.05 H HETATM 2097 H4 UNN A 105 27.079 -4.685 40.904 1.00 0.05 H HETATM 2098 H5 UNN A 105 26.295 -5.321 42.390 1.00 0.05 H HETATM 2099 C3 UNN A 105 23.992 -6.950 39.984 1.00 -0.05 C HETATM 2100 C2 UNN A 105 22.910 -6.570 39.210 1.00 -0.04 C HETATM 2101 C1 UNN A 105 23.019 -5.480 38.364 1.00 0.08 C HETATM 2102 O UNN A 105 22.015 -4.987 37.571 1.00 -0.33 O HETATM 2103 C UNN A 105 20.764 -5.683 37.556 1.00 0.06 C HETATM 2104 H13 UNN A 105 20.067 -5.169 36.878 1.00 0.06 H HETATM 2105 H14 UNN A 105 20.342 -5.700 38.572 1.00 0.06 H HETATM 2106 H15 UNN A 105 20.922 -6.714 37.207 1.00 0.06 H HETATM 2107 C22 UNN A 105 24.214 -4.790 38.275 1.00 -0.04 C HETATM 2108 H22 UNN A 105 24.304 -3.946 37.601 1.00 0.05 H HETATM 2109 H6 UNN A 105 21.980 -7.124 39.266 1.00 0.05 H HETATM 2110 H16 UNN A 105 23.898 -7.800 40.651 1.00 0.05 H HETATM 2111 H1 UNN A 105 26.230 -4.633 38.972 1.00 0.05 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 2059 2060 2107 2111 CONECT 2060 2059 2061 2099 CONECT 2061 2060 2062 2066 CONECT 2062 2061 2063 2097 2098 CONECT 2063 2062 2064 2095 2096 CONECT 2064 2063 2065 2071 CONECT 2065 2064 2066 2069 2070 CONECT 2066 2061 2065 2067 2068 CONECT 2067 2066 CONECT 2068 2066 CONECT 2069 2065 CONECT 2070 2065 CONECT 2071 2064 2072 2094 CONECT 2072 2071 2073 2092 CONECT 2073 2072 2074 CONECT 2074 2073 2075 2079 CONECT 2075 2074 2076 2092 CONECT 2076 2075 2077 2090 2091 CONECT 2077 2076 2078 2088 2089 CONECT 2078 2077 2079 2083 CONECT 2079 2074 2078 2080 CONECT 2080 2079 2081 2087 CONECT 2081 2080 2082 2086 CONECT 2082 2081 2083 2085 CONECT 2083 2078 2082 2084 CONECT 2084 2083 CONECT 2085 2082 CONECT 2086 2081 CONECT 2087 2080 CONECT 2088 2077 CONECT 2089 2077 CONECT 2090 2076 CONECT 2091 2076 CONECT 2092 2072 2075 2093 CONECT 2093 2092 CONECT 2094 2071 CONECT 2095 2063 CONECT 2096 2063 CONECT 2097 2062 CONECT 2098 2062 CONECT 2099 2060 2100 2110 CONECT 2100 2099 2101 2109 CONECT 2101 2100 2102 2107 CONECT 2102 2101 2103 CONECT 2103 2102 2104 2105 2106 CONECT 2104 2103 CONECT 2105 2103 CONECT 2106 2103 CONECT 2107 2059 2101 2108 CONECT 2108 2107 CONECT 2109 2100 CONECT 2110 2099 CONECT 2111 2059 MASTER 0 0 0 0 0 0 0 0 2110 1 56 18 END
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Related entries of code: 5syn
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5syn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human acyl protein thioesterase 2
Ligand Name
71T
EC.Number
E.C.3.1.2
Resolution
1.64(Å)
Affinity (Kd/Ki/IC50)
Kd=240nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) ACS Chem. Biol. Vol. 11: pp. 3374-3382
Ligand Properties
Formula
C
2
3
H
2
2
N
2
O
4
S
2
Molecular Weight
454.562
Exact Mass
454.102
No. of atoms
53
No. of bonds
57
Polar Surface Area
103.54
LOGP Value
3.43 (
Computed with XLOGP3
)
4.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c(s1)c1ccccc1S(=O)(=O)C2
InChI String
InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O95372
Entrez Gene ID
NCBI Entrez Gene ID:
11313
ASD
Information of known allosteric effects of PDB entries
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