Browse entries in the PDBbind-CN Database
HEADER 5HFC_COMPLEX COMPND 5HFC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG GLU PRO SEQRES 2 A 117 ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY LEU GLY SEQRES 3 A 117 PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY ILE PHE SEQRES 4 A 117 ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP LEU SER SEQRES 5 A 117 GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER VAL ASN SEQRES 6 A 117 GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN ALA ALA SEQRES 7 A 117 ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR ILE ILE SEQRES 8 A 117 ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE GLU ALA SEQRES 9 A 117 ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL THR ASP HET ASN A 242 127 ATOM 1 N PRO A 299 65.790 68.645 48.570 1.00 86.28 N ATOM 2 CA PRO A 299 64.650 69.087 47.729 1.00 77.34 C ATOM 3 C PRO A 299 63.366 68.320 48.067 1.00 71.26 C ATOM 4 O PRO A 299 63.519 67.244 48.602 1.00 74.28 O ATOM 5 CB PRO A 299 65.079 68.763 46.305 1.00 77.27 C ATOM 6 CG PRO A 299 66.057 67.670 46.431 1.00 81.71 C ATOM 7 CD PRO A 299 66.860 68.097 47.604 1.00 89.59 C ATOM 8 HN2 PRO A 299 65.484 67.900 49.228 1.00 0.00 H ATOM 9 HN1 PRO A 299 66.171 69.448 49.110 1.00 0.00 H ATOM 10 N GLU A 300 62.173 68.869 47.764 1.00 53.35 N ATOM 11 CA GLU A 300 60.869 68.288 48.065 1.00 53.74 C ATOM 12 C GLU A 300 60.184 67.784 46.797 1.00 63.63 C ATOM 13 O GLU A 300 59.500 68.541 46.107 1.00 42.13 O ATOM 14 CB GLU A 300 59.990 69.320 48.773 1.00 59.05 C ATOM 15 CG GLU A 300 58.618 68.812 49.176 1.00 62.50 C ATOM 16 CD GLU A 300 57.881 69.789 50.074 1.00 84.54 C ATOM 17 OE1 GLU A 300 56.656 69.955 49.899 1.00 41.52 O ATOM 18 OE2 GLU A 300 58.526 70.390 50.958 1.00110.54 O ATOM 19 H GLU A 300 62.183 69.786 47.273 1.00 0.00 H ATOM 20 N PHE A 301 60.345 66.498 46.486 1.00 65.44 N ATOM 21 CA PHE A 301 59.801 65.887 45.264 1.00 50.43 C ATOM 22 C PHE A 301 58.357 65.440 45.426 1.00 57.69 C ATOM 23 O PHE A 301 57.991 64.775 46.368 1.00 54.80 O ATOM 24 CB PHE A 301 60.660 64.702 44.801 1.00 46.55 C ATOM 25 CG PHE A 301 62.084 65.047 44.601 1.00 51.48 C ATOM 26 CD1 PHE A 301 62.432 65.878 43.587 1.00 51.27 C ATOM 27 CD2 PHE A 301 63.087 64.556 45.442 1.00 66.70 C ATOM 28 CE1 PHE A 301 63.742 66.237 43.381 1.00 55.55 C ATOM 29 CE2 PHE A 301 64.409 64.910 45.229 1.00 70.82 C ATOM 30 CZ PHE A 301 64.726 65.769 44.198 1.00 59.40 C ATOM 31 H PHE A 301 60.883 65.896 47.141 1.00 0.00 H ATOM 32 N LEU A 302 57.554 65.792 44.426 1.00 54.44 N ATOM 33 CA LEU A 302 56.141 65.427 44.362 1.00 49.86 C ATOM 34 C LEU A 302 55.943 63.923 44.275 1.00 49.73 C ATOM 35 O LEU A 302 54.995 63.386 44.831 1.00 53.93 O ATOM 36 CB LEU A 302 55.456 66.109 43.183 1.00 45.32 C ATOM 37 CG LEU A 302 55.160 67.595 43.385 1.00 45.16 C ATOM 38 CD1 LEU A 302 56.431 68.362 43.687 1.00 46.38 C ATOM 39 CD2 LEU A 302 54.481 68.167 42.158 1.00 57.47 C ATOM 40 H LEU A 302 57.953 66.357 43.649 1.00 0.00 H ATOM 41 N GLY A 303 56.852 63.251 43.582 1.00 41.86 N ATOM 42 CA GLY A 303 56.678 61.868 43.193 1.00 43.74 C ATOM 43 C GLY A 303 56.462 60.968 44.385 1.00 45.11 C ATOM 44 O GLY A 303 55.723 59.998 44.310 1.00 70.78 O ATOM 45 H GLY A 303 57.728 63.739 43.306 1.00 0.00 H ATOM 46 N GLU A 304 57.120 61.284 45.484 1.00 44.80 N ATOM 47 CA GLU A 304 56.968 60.524 46.716 1.00 53.93 C ATOM 48 C GLU A 304 55.535 60.586 47.270 1.00 64.20 C ATOM 49 O GLU A 304 55.088 59.666 47.947 1.00 58.16 O ATOM 50 CB GLU A 304 57.991 60.995 47.756 1.00 61.84 C ATOM 51 CG GLU A 304 59.418 60.939 47.236 1.00 64.31 C ATOM 52 CD GLU A 304 60.469 61.124 48.311 1.00 91.56 C ATOM 53 OE1 GLU A 304 60.177 60.862 49.494 1.00 99.21 O ATOM 54 OE2 GLU A 304 61.600 61.521 47.962 1.00104.64 O ATOM 55 H GLU A 304 57.766 62.099 45.470 1.00 0.00 H ATOM 56 N GLU A 305 54.832 61.679 46.990 1.00 55.84 N ATOM 57 CA GLU A 305 53.533 61.968 47.588 1.00 30.05 C ATOM 58 C GLU A 305 52.426 61.179 46.901 1.00 31.80 C ATOM 59 O GLU A 305 52.403 61.058 45.677 1.00 31.88 O ATOM 60 CB GLU A 305 53.234 63.465 47.511 1.00 31.60 C ATOM 61 CG GLU A 305 54.178 64.317 48.341 1.00 35.43 C ATOM 62 CD GLU A 305 54.101 65.786 47.987 1.00 44.51 C ATOM 63 OE1 GLU A 305 53.195 66.166 47.216 1.00 35.06 O ATOM 64 OE2 GLU A 305 54.951 66.560 48.476 1.00 49.69 O ATOM 65 H GLU A 305 55.227 62.361 46.312 1.00 0.00 H ATOM 66 N ASP A 306 51.505 60.647 47.697 1.00 28.80 N ATOM 67 CA ASP A 306 50.407 59.845 47.168 1.00 36.88 C ATOM 68 C ASP A 306 49.464 60.681 46.306 1.00 27.65 C ATOM 69 O ASP A 306 49.135 61.817 46.645 1.00 32.02 O ATOM 70 CB ASP A 306 49.622 59.195 48.309 1.00 41.29 C ATOM 71 CG ASP A 306 50.467 58.235 49.126 1.00 43.36 C ATOM 72 OD1 ASP A 306 51.421 57.654 48.567 1.00 53.62 O ATOM 73 OD2 ASP A 306 50.175 58.061 50.327 1.00 61.99 O ATOM 74 H ASP A 306 51.568 60.806 48.723 1.00 0.00 H ATOM 75 N ILE A 307 49.035 60.106 45.188 1.00 26.64 N ATOM 76 CA ILE A 307 48.043 60.737 44.330 1.00 23.62 C ATOM 77 C ILE A 307 46.678 60.603 45.004 1.00 26.10 C ATOM 78 O ILE A 307 46.280 59.493 45.360 1.00 23.95 O ATOM 79 CB ILE A 307 48.039 60.108 42.926 1.00 29.44 C ATOM 80 CG1 ILE A 307 49.391 60.331 42.245 1.00 33.62 C ATOM 81 CG2 ILE A 307 46.909 60.686 42.075 1.00 20.29 C ATOM 82 CD1 ILE A 307 49.566 59.564 40.956 1.00 53.41 C ATOM 83 H ILE A 307 49.419 59.178 44.918 1.00 0.00 H ATOM 84 N PRO A 308 45.955 61.725 45.189 1.00 20.72 N ATOM 85 CA PRO A 308 44.636 61.639 45.831 1.00 19.67 C ATOM 86 C PRO A 308 43.688 60.683 45.113 1.00 27.96 C ATOM 87 O PRO A 308 43.629 60.686 43.882 1.00 18.66 O ATOM 88 CB PRO A 308 44.116 63.079 45.759 1.00 25.50 C ATOM 89 CG PRO A 308 45.340 63.918 45.694 1.00 24.09 C ATOM 90 CD PRO A 308 46.327 63.122 44.896 1.00 23.94 C ATOM 91 N ARG A 309 42.970 59.884 45.880 1.00 18.92 N ATOM 92 CA ARG A 309 42.104 58.860 45.353 1.00 19.10 C ATOM 93 C ARG A 309 40.594 59.141 45.477 1.00 20.00 C ATOM 94 O ARG A 309 39.788 58.369 45.097 1.00 21.03 O ATOM 95 CB ARG A 309 42.479 57.533 45.978 1.00 23.84 C ATOM 96 CG ARG A 309 43.698 56.886 45.334 1.00 30.86 C ATOM 97 CD ARG A 309 44.161 55.628 46.032 1.00 48.53 C ATOM 98 NE ARG A 309 45.386 55.099 45.483 1.00 30.74 N ATOM 99 CZ ARG A 309 45.427 54.105 44.632 1.00 44.88 C ATOM 100 NH1 ARG A 309 44.320 53.564 44.200 1.00 22.26 N ATOM 101 NH2 ARG A 309 46.574 53.672 44.217 1.00 31.00 N ATOM 102 HE ARG A 309 46.285 55.531 45.779 1.00 0.00 H ATOM 103 HH12 ARG A 309 44.356 52.775 43.524 1.00 0.00 H ATOM 104 HH11 ARG A 309 43.402 53.923 44.532 1.00 0.00 H ATOM 105 HH22 ARG A 309 46.618 52.883 43.541 1.00 0.00 H ATOM 106 HH21 ARG A 309 47.451 54.113 44.560 1.00 0.00 H ATOM 107 H ARG A 309 43.032 59.999 46.912 1.00 0.00 H ATOM 108 N GLU A 310 40.260 60.284 46.020 1.00 19.27 N ATOM 109 CA GLU A 310 38.883 60.693 46.161 1.00 22.97 C ATOM 110 C GLU A 310 38.391 61.410 44.889 1.00 20.97 C ATOM 111 O GLU A 310 39.169 61.934 44.151 1.00 17.96 O ATOM 112 CB GLU A 310 38.692 61.598 47.364 1.00 30.74 C ATOM 113 CG GLU A 310 39.772 62.616 47.580 1.00 48.41 C ATOM 114 CD GLU A 310 40.991 62.085 48.390 1.00 76.60 C ATOM 115 OE1 GLU A 310 42.052 62.026 47.819 1.00 53.56 O ATOM 116 OE2 GLU A 310 40.913 61.783 49.609 1.00 68.01 O ATOM 117 H GLU A 310 41.011 60.918 46.361 1.00 0.00 H ATOM 118 N PRO A 311 37.085 61.404 44.682 1.00 16.74 N ATOM 119 CA PRO A 311 36.567 62.014 43.452 1.00 20.17 C ATOM 120 C PRO A 311 36.820 63.517 43.390 1.00 15.86 C ATOM 121 O PRO A 311 36.774 64.185 44.427 1.00 18.32 O ATOM 122 CB PRO A 311 35.062 61.723 43.512 1.00 21.59 C ATOM 123 CG PRO A 311 34.887 60.682 44.567 1.00 19.90 C ATOM 124 CD PRO A 311 36.002 60.882 45.533 1.00 17.62 C ATOM 125 N ARG A 312 37.084 64.033 42.193 1.00 15.23 N ATOM 126 CA ARG A 312 37.284 65.466 41.990 1.00 24.94 C ATOM 127 C ARG A 312 36.363 65.982 40.895 1.00 15.18 C ATOM 128 O ARG A 312 35.956 65.226 40.012 1.00 16.00 O ATOM 129 CB ARG A 312 38.732 65.780 41.607 1.00 20.51 C ATOM 130 CG ARG A 312 39.791 65.153 42.497 1.00 20.73 C ATOM 131 CD ARG A 312 40.430 63.947 41.826 1.00 18.48 C ATOM 132 NE ARG A 312 41.024 64.288 40.534 1.00 17.00 N ATOM 133 CZ ARG A 312 41.328 63.402 39.590 1.00 21.47 C ATOM 134 NH1 ARG A 312 41.098 62.111 39.784 1.00 22.92 N ATOM 135 NH2 ARG A 312 41.859 63.808 38.445 1.00 18.81 N ATOM 136 HE ARG A 312 41.222 65.290 40.340 1.00 0.00 H ATOM 137 HH12 ARG A 312 41.338 61.423 39.042 1.00 0.00 H ATOM 138 HH11 ARG A 312 40.678 61.786 40.678 1.00 0.00 H ATOM 139 HH22 ARG A 312 42.097 63.115 37.707 1.00 0.00 H ATOM 140 HH21 ARG A 312 42.038 64.820 38.285 1.00 0.00 H ATOM 141 H ARG A 312 37.150 63.395 41.374 1.00 0.00 H ATOM 142 N ARG A 313 36.045 67.270 40.953 1.00 19.91 N ATOM 143 CA ARG A 313 35.322 67.921 39.870 1.00 19.32 C ATOM 144 C ARG A 313 36.301 68.670 38.976 1.00 18.35 C ATOM 145 O ARG A 313 37.104 69.470 39.452 1.00 16.10 O ATOM 146 CB ARG A 313 34.258 68.880 40.412 1.00 22.57 C ATOM 147 CG ARG A 313 33.396 69.494 39.314 1.00 24.52 C ATOM 148 CD ARG A 313 32.331 70.435 39.856 1.00 25.25 C ATOM 149 NE ARG A 313 31.416 69.773 40.785 1.00 29.31 N ATOM 150 CZ ARG A 313 31.501 69.832 42.113 1.00 35.16 C ATOM 151 NH1 ARG A 313 32.464 70.529 42.706 1.00 30.81 N ATOM 152 NH2 ARG A 313 30.610 69.189 42.855 1.00 32.71 N ATOM 153 HE ARG A 313 30.640 69.213 40.378 1.00 0.00 H ATOM 154 HH12 ARG A 313 32.516 70.565 43.744 1.00 0.00 H ATOM 155 HH11 ARG A 313 33.166 71.039 42.132 1.00 0.00 H ATOM 156 HH22 ARG A 313 30.670 69.231 43.892 1.00 0.00 H ATOM 157 HH21 ARG A 313 29.851 68.643 42.400 1.00 0.00 H ATOM 158 H ARG A 313 36.318 67.825 41.789 1.00 0.00 H ATOM 159 N ILE A 314 36.233 68.399 37.677 1.00 19.03 N ATOM 160 CA ILE A 314 37.061 69.093 36.703 1.00 16.79 C ATOM 161 C ILE A 314 36.151 69.781 35.696 1.00 19.64 C ATOM 162 O ILE A 314 35.288 69.143 35.098 1.00 20.92 O ATOM 163 CB ILE A 314 38.035 68.135 35.992 1.00 18.24 C ATOM 164 CG1 ILE A 314 38.957 67.448 37.001 1.00 20.24 C ATOM 165 CG2 ILE A 314 38.872 68.887 34.965 1.00 19.98 C ATOM 166 CD1 ILE A 314 38.449 66.106 37.489 1.00 19.61 C ATOM 167 H ILE A 314 35.569 67.670 37.347 1.00 0.00 H ATOM 168 N VAL A 315 36.348 71.081 35.511 1.00 20.96 N ATOM 169 CA VAL A 315 35.571 71.835 34.536 1.00 17.97 C ATOM 170 C VAL A 315 36.485 72.285 33.406 1.00 25.65 C ATOM 171 O VAL A 315 37.396 73.087 33.608 1.00 24.60 O ATOM 172 CB VAL A 315 34.866 73.034 35.185 1.00 23.60 C ATOM 173 CG1 VAL A 315 34.020 73.773 34.155 1.00 27.55 C ATOM 174 CG2 VAL A 315 34.003 72.569 36.348 1.00 22.96 C ATOM 175 H VAL A 315 37.072 71.571 36.074 1.00 0.00 H ATOM 176 N ILE A 316 36.229 71.759 32.214 1.00 24.56 N ATOM 177 CA ILE A 316 37.025 72.084 31.041 1.00 19.12 C ATOM 178 C ILE A 316 36.204 72.935 30.086 1.00 22.41 C ATOM 179 O ILE A 316 35.075 72.586 29.742 1.00 23.40 O ATOM 180 CB ILE A 316 37.527 70.808 30.346 1.00 19.72 C ATOM 181 CG1 ILE A 316 38.454 70.032 31.284 1.00 30.07 C ATOM 182 CG2 ILE A 316 38.252 71.146 29.046 1.00 22.82 C ATOM 183 CD1 ILE A 316 38.763 68.627 30.819 1.00 43.37 C ATOM 184 H ILE A 316 35.435 71.094 32.116 1.00 0.00 H ATOM 185 N HIS A 317 36.784 74.053 29.663 1.00 22.55 N ATOM 186 CA HIS A 317 36.164 74.922 28.673 1.00 27.62 C ATOM 187 C HIS A 317 36.925 74.789 27.362 1.00 30.09 C ATOM 188 O HIS A 317 38.049 75.274 27.238 1.00 35.94 O ATOM 189 CB HIS A 317 36.155 76.372 29.159 1.00 44.66 C ATOM 190 CG HIS A 317 35.623 76.532 30.548 1.00 52.38 C ATOM 191 ND1 HIS A 317 34.277 76.632 30.824 1.00 44.15 N ATOM 192 CD2 HIS A 317 36.258 76.597 31.745 1.00 50.87 C ATOM 193 CE1 HIS A 317 34.105 76.756 32.129 1.00 41.35 C ATOM 194 NE2 HIS A 317 35.291 76.738 32.707 1.00 45.24 N ATOM 195 H HIS A 317 37.712 74.316 30.052 1.00 0.00 H ATOM 196 N ARG A 318 36.312 74.120 26.391 1.00 26.51 N ATOM 197 CA ARG A 318 36.998 73.774 25.149 1.00 21.78 C ATOM 198 C ARG A 318 36.282 74.295 23.907 1.00 27.51 C ATOM 199 O ARG A 318 36.639 73.931 22.788 1.00 30.67 O ATOM 200 CB ARG A 318 37.167 72.253 25.049 1.00 21.23 C ATOM 201 CG ARG A 318 35.911 71.429 25.353 1.00 22.12 C ATOM 202 CD ARG A 318 34.874 71.498 24.240 1.00 24.78 C ATOM 203 NE ARG A 318 33.750 70.588 24.468 1.00 32.93 N ATOM 204 CZ ARG A 318 33.703 69.320 24.064 1.00 23.08 C ATOM 205 NH1 ARG A 318 34.718 68.780 23.402 1.00 28.22 N ATOM 206 NH2 ARG A 318 32.628 68.585 24.324 1.00 23.30 N ATOM 207 HE ARG A 318 32.927 70.960 24.984 1.00 0.00 H ATOM 208 HH12 ARG A 318 34.668 67.788 23.092 1.00 0.00 H ATOM 209 HH11 ARG A 318 35.564 69.348 23.193 1.00 0.00 H ATOM 210 HH22 ARG A 318 32.587 67.594 24.010 1.00 0.00 H ATOM 211 HH21 ARG A 318 31.827 69.000 24.841 1.00 0.00 H ATOM 212 H ARG A 318 35.320 73.836 26.519 1.00 0.00 H ATOM 213 N GLY A 319 35.280 75.147 24.098 1.00 26.86 N ATOM 214 CA GLY A 319 34.521 75.680 22.980 1.00 41.77 C ATOM 215 C GLY A 319 34.040 74.591 22.039 1.00 32.69 C ATOM 216 O GLY A 319 33.236 73.741 22.424 1.00 29.25 O ATOM 217 H GLY A 319 35.035 75.438 25.066 1.00 0.00 H ATOM 218 N SER A 320 34.522 74.610 20.801 1.00 28.42 N ATOM 219 CA SER A 320 34.184 73.612 19.804 1.00 24.58 C ATOM 220 C SER A 320 35.431 72.923 19.247 1.00 26.83 C ATOM 221 O SER A 320 35.555 72.683 18.077 1.00 24.64 O ATOM 222 CB SER A 320 33.371 74.240 18.670 1.00 29.21 C ATOM 223 OG SER A 320 32.053 74.445 19.031 1.00 33.70 O ATOM 224 HG SER A 320 31.638 73.578 19.267 1.00 0.00 H ATOM 225 H SER A 320 35.172 75.377 20.534 1.00 0.00 H ATOM 226 N THR A 321 36.232 72.411 20.174 1.00 24.34 N ATOM 227 CA THR A 321 37.387 71.589 19.830 1.00 25.72 C ATOM 228 C THR A 321 37.385 70.335 20.701 1.00 23.39 C ATOM 229 O THR A 321 36.642 70.259 21.678 1.00 26.41 O ATOM 230 CB THR A 321 38.714 72.347 20.032 1.00 26.47 C ATOM 231 OG1 THR A 321 39.795 71.579 19.486 1.00 35.66 O ATOM 232 CG2 THR A 321 38.973 72.598 21.513 1.00 25.53 C ATOM 233 HG1 THR A 321 39.842 70.704 19.946 1.00 0.00 H ATOM 234 H THR A 321 36.030 72.602 21.176 1.00 0.00 H ATOM 235 N GLY A 322 38.208 69.352 20.346 1.00 23.04 N ATOM 236 CA GLY A 322 38.306 68.133 21.126 1.00 16.19 C ATOM 237 C GLY A 322 38.804 68.377 22.536 1.00 22.91 C ATOM 238 O GLY A 322 39.495 69.358 22.795 1.00 21.42 O ATOM 239 H GLY A 322 38.793 69.460 19.493 1.00 0.00 H ATOM 240 N LEU A 323 38.448 67.481 23.451 1.00 20.89 N ATOM 241 CA LEU A 323 38.881 67.586 24.841 1.00 20.89 C ATOM 242 C LEU A 323 40.367 67.284 24.973 1.00 16.53 C ATOM 243 O LEU A 323 41.034 67.775 25.885 1.00 18.00 O ATOM 244 CB LEU A 323 38.070 66.638 25.722 1.00 18.16 C ATOM 245 CG LEU A 323 36.648 67.118 26.005 1.00 14.30 C ATOM 246 CD1 LEU A 323 35.729 65.952 26.339 1.00 19.91 C ATOM 247 CD2 LEU A 323 36.664 68.128 27.139 1.00 23.68 C ATOM 248 H LEU A 323 37.844 66.683 23.169 1.00 0.00 H ATOM 249 N GLY A 324 40.882 66.469 24.059 1.00 13.03 N ATOM 250 CA GLY A 324 42.294 66.144 24.042 1.00 15.44 C ATOM 251 C GLY A 324 42.696 65.028 24.987 1.00 16.35 C ATOM 252 O GLY A 324 43.724 65.120 25.658 1.00 14.78 O ATOM 253 H GLY A 324 40.257 66.054 23.339 1.00 0.00 H ATOM 254 N PHE A 325 41.889 63.973 25.060 1.00 13.51 N ATOM 255 CA PHE A 325 42.335 62.753 25.725 1.00 14.12 C ATOM 256 C PHE A 325 41.615 61.524 25.181 1.00 14.54 C ATOM 257 O PHE A 325 40.575 61.632 24.529 1.00 15.08 O ATOM 258 CB PHE A 325 42.167 62.856 27.252 1.00 10.98 C ATOM 259 CG PHE A 325 40.741 62.936 27.732 1.00 16.75 C ATOM 260 CD1 PHE A 325 40.014 61.785 27.992 1.00 17.43 C ATOM 261 CD2 PHE A 325 40.146 64.164 27.977 1.00 18.96 C ATOM 262 CE1 PHE A 325 38.709 61.858 28.458 1.00 21.12 C ATOM 263 CE2 PHE A 325 38.845 64.244 28.445 1.00 16.52 C ATOM 264 CZ PHE A 325 38.126 63.088 28.686 1.00 18.96 C ATOM 265 H PHE A 325 40.938 64.018 24.642 1.00 0.00 H ATOM 266 N ASN A 326 42.192 60.356 25.447 1.00 13.46 N ATOM 267 CA ASN A 326 41.625 59.089 25.004 1.00 16.60 C ATOM 268 C ASN A 326 40.995 58.348 26.174 1.00 13.12 C ATOM 269 O ASN A 326 41.435 58.488 27.314 1.00 13.74 O ATOM 270 CB ASN A 326 42.698 58.215 24.356 1.00 21.75 C ATOM 271 CG ASN A 326 43.183 58.770 23.036 1.00 28.66 C ATOM 272 OD1 ASN A 326 42.913 59.921 22.693 1.00 25.63 O ATOM 273 ND2 ASN A 326 43.900 57.948 22.281 1.00 36.67 N ATOM 274 HD22 ASN A 326 44.104 56.983 22.611 1.00 0.00 H ATOM 275 HD21 ASN A 326 44.258 58.268 21.359 1.00 0.00 H ATOM 276 H ASN A 326 43.079 60.346 25.990 1.00 0.00 H ATOM 277 N ILE A 327 39.966 57.557 25.884 1.00 14.37 N ATOM 278 CA ILE A 327 39.316 56.743 26.902 1.00 16.37 C ATOM 279 C ILE A 327 39.384 55.276 26.510 1.00 16.76 C ATOM 280 O ILE A 327 39.410 54.943 25.328 1.00 15.06 O ATOM 281 CB ILE A 327 37.855 57.168 27.127 1.00 15.32 C ATOM 282 CG1 ILE A 327 37.060 57.073 25.821 1.00 18.88 C ATOM 283 CG2 ILE A 327 37.804 58.573 27.700 1.00 22.85 C ATOM 284 CD1 ILE A 327 35.567 57.213 26.007 1.00 19.22 C ATOM 285 H ILE A 327 39.616 57.519 24.905 1.00 0.00 H ATOM 286 N VAL A 328 39.469 54.383 27.453 1.00 14.78 N ATOM 287 CA VAL A 328 39.414 52.992 27.199 1.00 16.20 C ATOM 288 C VAL A 328 38.425 52.359 28.163 1.00 20.27 C ATOM 289 O VAL A 328 38.081 52.929 29.153 1.00 16.44 O ATOM 290 CB VAL A 328 40.803 52.361 27.364 1.00 16.35 C ATOM 291 CG1 VAL A 328 41.796 53.019 26.431 1.00 30.53 C ATOM 292 CG2 VAL A 328 41.297 52.490 28.780 1.00 18.29 C ATOM 293 H VAL A 328 39.582 54.706 28.435 1.00 0.00 H ATOM 294 N GLY A 329 37.953 51.177 27.824 1.00 22.17 N ATOM 295 CA GLY A 329 37.150 50.420 28.759 1.00 20.58 C ATOM 296 C GLY A 329 35.771 50.153 28.272 1.00 37.94 C ATOM 297 O GLY A 329 35.675 49.671 27.185 1.00 38.08 O ATOM 298 H GLY A 329 38.158 50.787 26.882 1.00 0.00 H ATOM 299 N GLY A 330 34.745 50.246 29.137 1.00 66.03 N ATOM 300 CA GLY A 330 33.332 50.263 28.810 1.00 53.09 C ATOM 301 C GLY A 330 32.741 48.930 28.391 1.00 56.34 C ATOM 302 O GLY A 330 31.735 48.894 27.684 1.00 65.57 O ATOM 303 H GLY A 330 34.991 50.313 30.145 1.00 0.00 H ATOM 304 N GLU A 331 33.352 47.831 28.816 1.00 54.35 N ATOM 305 CA GLU A 331 32.795 46.516 28.524 1.00 61.83 C ATOM 306 C GLU A 331 31.645 46.213 29.485 1.00 77.46 C ATOM 307 O GLU A 331 30.583 46.831 29.395 1.00 87.32 O ATOM 308 CB GLU A 331 33.878 45.437 28.599 1.00 65.58 C ATOM 309 CG GLU A 331 34.878 45.487 27.454 1.00 80.01 C ATOM 310 CD GLU A 331 34.216 45.343 26.095 1.00104.94 C ATOM 311 OE1 GLU A 331 33.711 44.241 25.791 1.00112.93 O ATOM 312 OE2 GLU A 331 34.194 46.333 25.334 1.00117.77 O ATOM 313 H GLU A 331 34.234 47.909 29.361 1.00 0.00 H ATOM 314 N ASP A 332 31.851 45.278 30.408 1.00 91.74 N ATOM 315 CA ASP A 332 30.790 44.871 31.323 1.00 73.88 C ATOM 316 C ASP A 332 30.826 45.703 32.600 1.00 60.45 C ATOM 317 O ASP A 332 31.083 45.181 33.686 1.00 58.89 O ATOM 318 CB ASP A 332 30.916 43.385 31.659 1.00 71.66 C ATOM 319 CG ASP A 332 30.997 42.515 30.421 1.00 95.83 C ATOM 320 OD1 ASP A 332 29.934 42.127 29.892 1.00 98.84 O ATOM 321 OD2 ASP A 332 32.127 42.222 29.974 1.00 97.53 O ATOM 322 H ASP A 332 32.786 44.828 30.479 1.00 0.00 H ATOM 323 N GLY A 333 30.565 46.999 32.464 1.00 53.26 N ATOM 324 CA GLY A 333 30.564 47.899 33.602 1.00 46.92 C ATOM 325 C GLY A 333 31.912 47.978 34.291 1.00 42.99 C ATOM 326 O GLY A 333 31.991 48.231 35.492 1.00 45.78 O ATOM 327 H GLY A 333 30.356 47.378 31.518 1.00 0.00 H ATOM 328 N GLU A 334 32.979 47.759 33.528 1.00 33.97 N ATOM 329 CA GLU A 334 34.329 47.806 34.079 1.00 33.33 C ATOM 330 C GLU A 334 34.795 49.246 34.269 1.00 33.55 C ATOM 331 O GLU A 334 35.755 49.502 34.994 1.00 30.48 O ATOM 332 CB GLU A 334 35.308 47.048 33.177 1.00 55.62 C ATOM 333 CG GLU A 334 35.341 47.526 31.735 1.00 79.66 C ATOM 334 CD GLU A 334 36.330 46.746 30.889 1.00 70.58 C ATOM 335 OE1 GLU A 334 36.521 47.107 29.707 1.00 49.37 O ATOM 336 OE2 GLU A 334 36.914 45.768 31.404 1.00 52.83 O ATOM 337 H GLU A 334 32.848 47.550 32.518 1.00 0.00 H ATOM 338 N GLY A 335 34.113 50.183 33.615 1.00 22.47 N ATOM 339 CA GLY A 335 34.427 51.594 33.760 1.00 23.09 C ATOM 340 C GLY A 335 35.034 52.232 32.525 1.00 23.74 C ATOM 341 O GLY A 335 35.429 51.546 31.583 1.00 19.52 O ATOM 342 H GLY A 335 33.336 49.898 32.985 1.00 0.00 H ATOM 343 N ILE A 336 35.100 53.559 32.542 1.00 17.66 N ATOM 344 CA ILE A 336 35.708 54.334 31.467 1.00 16.44 C ATOM 345 C ILE A 336 36.929 55.049 32.032 1.00 15.03 C ATOM 346 O ILE A 336 36.803 55.830 32.975 1.00 16.42 O ATOM 347 CB ILE A 336 34.706 55.344 30.861 1.00 17.83 C ATOM 348 CG1 ILE A 336 33.451 54.630 30.348 1.00 25.10 C ATOM 349 CG2 ILE A 336 35.364 56.164 29.751 1.00 17.04 C ATOM 350 CD1 ILE A 336 33.701 53.608 29.249 1.00 25.33 C ATOM 351 H ILE A 336 34.701 54.067 33.357 1.00 0.00 H ATOM 352 N PHE A 337 38.101 54.792 31.455 1.00 17.09 N ATOM 353 CA PHE A 337 39.357 55.328 31.989 1.00 13.86 C ATOM 354 C PHE A 337 40.125 56.166 30.974 1.00 22.29 C ATOM 355 O PHE A 337 40.085 55.897 29.776 1.00 16.13 O ATOM 356 CB PHE A 337 40.257 54.188 32.471 1.00 14.29 C ATOM 357 CG PHE A 337 39.625 53.319 33.514 1.00 15.40 C ATOM 358 CD1 PHE A 337 38.818 52.254 33.152 1.00 20.45 C ATOM 359 CD2 PHE A 337 39.838 53.566 34.857 1.00 19.44 C ATOM 360 CE1 PHE A 337 38.235 51.453 34.112 1.00 23.92 C ATOM 361 CE2 PHE A 337 39.255 52.767 35.822 1.00 21.26 C ATOM 362 CZ PHE A 337 38.454 51.712 35.449 1.00 22.21 C ATOM 363 H PHE A 337 38.126 54.196 30.603 1.00 0.00 H ATOM 364 N ILE A 338 40.839 57.173 31.470 1.00 13.08 N ATOM 365 CA ILE A 338 41.720 57.977 30.631 1.00 12.96 C ATOM 366 C ILE A 338 43.022 57.212 30.404 1.00 18.42 C ATOM 367 O ILE A 338 43.688 56.808 31.356 1.00 19.02 O ATOM 368 CB ILE A 338 41.996 59.360 31.257 1.00 13.50 C ATOM 369 CG1 ILE A 338 40.695 60.158 31.395 1.00 19.17 C ATOM 370 CG2 ILE A 338 43.012 60.133 30.416 1.00 10.86 C ATOM 371 CD1 ILE A 338 40.869 61.530 32.058 1.00 23.99 C ATOM 372 H ILE A 338 40.767 57.393 32.484 1.00 0.00 H ATOM 373 N SER A 339 43.339 56.981 29.134 1.00 13.95 N ATOM 374 CA SER A 339 44.544 56.259 28.740 1.00 15.02 C ATOM 375 C SER A 339 45.664 57.142 28.187 1.00 18.34 C ATOM 376 O SER A 339 46.792 56.692 28.041 1.00 18.38 O ATOM 377 CB SER A 339 44.185 55.242 27.667 1.00 21.81 C ATOM 378 OG SER A 339 43.657 55.890 26.538 1.00 17.89 O ATOM 379 HG SER A 339 43.428 55.217 25.849 1.00 0.00 H ATOM 380 H SER A 339 42.701 57.330 28.390 1.00 0.00 H ATOM 381 N PHE A 340 45.337 58.385 27.856 1.00 14.02 N ATOM 382 CA PHE A 340 46.263 59.274 27.165 1.00 12.69 C ATOM 383 C PHE A 340 45.722 60.691 27.211 1.00 17.18 C ATOM 384 O PHE A 340 44.545 60.917 26.928 1.00 16.52 O ATOM 385 CB PHE A 340 46.460 58.816 25.714 1.00 15.48 C ATOM 386 CG PHE A 340 47.319 59.735 24.885 1.00 17.03 C ATOM 387 CD1 PHE A 340 46.769 60.835 24.250 1.00 17.15 C ATOM 388 CD2 PHE A 340 48.670 59.483 24.721 1.00 16.02 C ATOM 389 CE1 PHE A 340 47.549 61.673 23.483 1.00 14.96 C ATOM 390 CE2 PHE A 340 49.458 60.322 23.952 1.00 16.78 C ATOM 391 CZ PHE A 340 48.895 61.418 23.333 1.00 18.18 C ATOM 392 H PHE A 340 44.389 58.737 28.098 1.00 0.00 H ATOM 393 N ILE A 341 46.576 61.638 27.582 1.00 13.85 N ATOM 394 CA ILE A 341 46.221 63.050 27.534 1.00 12.36 C ATOM 395 C ILE A 341 47.140 63.747 26.545 1.00 16.31 C ATOM 396 O ILE A 341 48.365 63.602 26.599 1.00 17.15 O ATOM 397 CB ILE A 341 46.295 63.703 28.921 1.00 15.85 C ATOM 398 CG1 ILE A 341 45.266 63.062 29.854 1.00 17.35 C ATOM 399 CG2 ILE A 341 46.041 65.206 28.820 1.00 18.38 C ATOM 400 CD1 ILE A 341 45.416 63.461 31.295 1.00 23.38 C ATOM 401 H ILE A 341 47.522 61.365 27.915 1.00 0.00 H ATOM 402 N LEU A 342 46.537 64.505 25.639 1.00 15.12 N ATOM 403 CA LEU A 342 47.281 65.189 24.591 1.00 14.29 C ATOM 404 C LEU A 342 47.963 66.445 25.115 1.00 14.21 C ATOM 405 O LEU A 342 47.327 67.294 25.736 1.00 17.77 O ATOM 406 CB LEU A 342 46.348 65.551 23.437 1.00 13.54 C ATOM 407 CG LEU A 342 46.969 66.373 22.309 1.00 16.60 C ATOM 408 CD1 LEU A 342 48.069 65.587 21.616 1.00 23.29 C ATOM 409 CD2 LEU A 342 45.896 66.789 21.326 1.00 20.28 C ATOM 410 H LEU A 342 45.503 64.614 25.678 1.00 0.00 H ATOM 411 N ALA A 343 49.259 66.561 24.850 1.00 21.13 N ATOM 412 CA ALA A 343 50.008 67.752 25.220 1.00 19.86 C ATOM 413 C ALA A 343 49.422 68.979 24.528 1.00 20.75 C ATOM 414 O ALA A 343 49.275 69.004 23.305 1.00 17.78 O ATOM 415 CB ALA A 343 51.478 67.588 24.862 1.00 25.76 C ATOM 416 H ALA A 343 49.750 65.782 24.367 1.00 0.00 H ATOM 417 N GLY A 344 49.078 69.992 25.316 1.00 21.85 N ATOM 418 CA GLY A 344 48.581 71.243 24.772 1.00 24.87 C ATOM 419 C GLY A 344 47.083 71.287 24.533 1.00 20.43 C ATOM 420 O GLY A 344 46.542 72.337 24.183 1.00 22.46 O ATOM 421 H GLY A 344 49.167 69.886 26.347 1.00 0.00 H ATOM 422 N GLY A 345 46.401 70.161 24.694 1.00 16.18 N ATOM 423 CA GLY A 345 44.969 70.122 24.590 1.00 23.41 C ATOM 424 C GLY A 345 44.198 70.654 25.788 1.00 25.29 C ATOM 425 O GLY A 345 44.752 70.878 26.809 1.00 19.52 O ATOM 426 H GLY A 345 46.917 69.282 24.901 1.00 0.00 H ATOM 427 N PRO A 346 42.911 70.882 25.621 1.00 20.44 N ATOM 428 CA PRO A 346 42.103 71.414 26.727 1.00 17.97 C ATOM 429 C PRO A 346 42.237 70.630 28.030 1.00 19.68 C ATOM 430 O PRO A 346 42.338 71.239 29.092 1.00 25.58 O ATOM 431 CB PRO A 346 40.675 71.316 26.187 1.00 24.81 C ATOM 432 CG PRO A 346 40.833 71.456 24.722 1.00 21.65 C ATOM 433 CD PRO A 346 42.116 70.741 24.387 1.00 19.17 C ATOM 434 N ALA A 347 42.233 69.304 27.949 1.00 19.56 N ATOM 435 CA ALA A 347 42.347 68.472 29.142 1.00 21.83 C ATOM 436 C ALA A 347 43.696 68.687 29.821 1.00 23.71 C ATOM 437 O ALA A 347 43.780 68.760 31.047 1.00 21.57 O ATOM 438 CB ALA A 347 42.161 67.008 28.789 1.00 16.75 C ATOM 439 H ALA A 347 42.147 68.850 27.017 1.00 0.00 H ATOM 440 N ASP A 348 44.751 68.785 29.020 1.00 21.80 N ATOM 441 CA ASP A 348 46.086 69.044 29.547 1.00 22.39 C ATOM 442 C ASP A 348 46.140 70.418 30.208 1.00 23.96 C ATOM 443 O ASP A 348 46.655 70.568 31.318 1.00 28.34 O ATOM 444 CB ASP A 348 47.130 68.948 28.433 1.00 17.53 C ATOM 445 CG ASP A 348 48.536 69.248 28.921 1.00 20.71 C ATOM 446 OD1 ASP A 348 48.823 69.000 30.111 1.00 23.24 O ATOM 447 OD2 ASP A 348 49.355 69.731 28.112 1.00 19.58 O ATOM 448 H ASP A 348 44.622 68.675 27.994 1.00 0.00 H ATOM 449 N LEU A 349 45.593 71.419 29.529 1.00 21.74 N ATOM 450 CA LEU A 349 45.657 72.790 30.020 1.00 26.68 C ATOM 451 C LEU A 349 44.890 72.950 31.333 1.00 35.57 C ATOM 452 O LEU A 349 45.123 73.900 32.077 1.00 36.12 O ATOM 453 CB LEU A 349 45.119 73.763 28.967 1.00 28.83 C ATOM 454 CG LEU A 349 45.865 73.816 27.626 1.00 41.98 C ATOM 455 CD1 LEU A 349 45.401 75.003 26.795 1.00 65.99 C ATOM 456 CD2 LEU A 349 47.372 73.870 27.813 1.00 31.56 C ATOM 457 H LEU A 349 45.110 71.221 28.630 1.00 0.00 H ATOM 458 N SER A 350 43.904 72.105 31.614 1.00 38.80 N ATOM 459 CA SER A 350 43.284 72.046 32.935 1.00 39.38 C ATOM 460 C SER A 350 44.259 71.611 34.019 1.00 41.69 C ATOM 461 O SER A 350 44.142 72.039 35.161 1.00 41.29 O ATOM 462 CB SER A 350 42.083 71.100 32.924 1.00 26.49 C ATOM 463 OG SER A 350 42.489 69.763 33.113 1.00 32.32 O ATOM 464 HG SER A 350 43.106 69.501 32.385 1.00 0.00 H ATOM 465 H SER A 350 43.563 71.465 30.869 1.00 0.00 H ATOM 466 N GLY A 351 45.092 70.627 33.704 1.00 33.85 N ATOM 467 CA GLY A 351 46.069 70.133 34.658 1.00 32.75 C ATOM 468 C GLY A 351 45.448 69.437 35.856 1.00 36.81 C ATOM 469 O GLY A 351 46.033 69.417 36.940 1.00 54.95 O ATOM 470 H GLY A 351 45.044 70.202 32.756 1.00 0.00 H ATOM 471 N GLU A 352 44.267 68.860 35.662 1.00 25.72 N ATOM 472 CA GLU A 352 43.539 68.227 36.756 1.00 24.43 C ATOM 473 C GLU A 352 43.043 66.831 36.386 1.00 22.60 C ATOM 474 O GLU A 352 42.256 66.232 37.118 1.00 21.29 O ATOM 475 CB GLU A 352 42.362 69.107 37.174 1.00 27.47 C ATOM 476 CG GLU A 352 42.778 70.472 37.698 1.00 29.81 C ATOM 477 CD GLU A 352 41.615 71.442 37.786 1.00 71.30 C ATOM 478 OE1 GLU A 352 41.862 72.657 37.936 1.00 95.69 O ATOM 479 OE2 GLU A 352 40.455 70.988 37.704 1.00 44.10 O ATOM 480 H GLU A 352 43.852 68.860 34.708 1.00 0.00 H ATOM 481 N LEU A 353 43.503 66.323 35.248 1.00 18.09 N ATOM 482 CA LEU A 353 43.195 64.960 34.821 1.00 14.69 C ATOM 483 C LEU A 353 44.498 64.234 34.524 1.00 26.66 C ATOM 484 O LEU A 353 45.476 64.860 34.120 1.00 25.01 O ATOM 485 CB LEU A 353 42.294 64.955 33.581 1.00 15.02 C ATOM 486 CG LEU A 353 40.845 65.416 33.744 1.00 20.91 C ATOM 487 CD1 LEU A 353 40.168 65.492 32.388 1.00 22.72 C ATOM 488 CD2 LEU A 353 40.079 64.485 34.667 1.00 23.23 C ATOM 489 H LEU A 353 44.103 66.916 34.640 1.00 0.00 H ATOM 490 N ARG A 354 44.494 62.926 34.724 1.00 16.81 N ATOM 491 CA ARG A 354 45.643 62.117 34.457 1.00 14.51 C ATOM 492 C ARG A 354 45.320 60.707 33.951 1.00 14.07 C ATOM 493 O ARG A 354 44.254 60.229 34.162 1.00 14.84 O ATOM 494 CB ARG A 354 46.510 62.094 35.695 1.00 25.42 C ATOM 495 CG ARG A 354 46.337 60.944 36.606 1.00 28.49 C ATOM 496 CD ARG A 354 47.417 60.976 37.673 1.00 38.96 C ATOM 497 NE ARG A 354 47.269 62.086 38.570 1.00 61.25 N ATOM 498 CZ ARG A 354 48.283 62.774 39.064 1.00 75.67 C ATOM 499 NH1 ARG A 354 49.529 62.442 38.742 1.00 50.56 N ATOM 500 NH2 ARG A 354 48.044 63.790 39.880 1.00 59.43 N ATOM 501 HE ARG A 354 46.307 62.366 38.848 1.00 0.00 H ATOM 502 HH12 ARG A 354 50.328 62.983 39.130 1.00 0.00 H ATOM 503 HH11 ARG A 354 49.705 61.641 38.102 1.00 0.00 H ATOM 504 HH22 ARG A 354 48.835 64.338 40.274 1.00 0.00 H ATOM 505 HH21 ARG A 354 47.065 64.040 40.126 1.00 0.00 H ATOM 506 H ARG A 354 43.631 62.473 35.086 1.00 0.00 H ATOM 507 N LYS A 355 46.269 60.086 33.269 1.00 14.37 N ATOM 508 CA LYS A 355 46.089 58.713 32.852 1.00 21.03 C ATOM 509 C LYS A 355 45.764 57.878 34.072 1.00 17.83 C ATOM 510 O LYS A 355 46.395 58.034 35.060 1.00 16.08 O ATOM 511 CB LYS A 355 47.350 58.173 32.212 1.00 19.49 C ATOM 512 CG LYS A 355 47.255 56.758 31.759 1.00 17.72 C ATOM 513 CD LYS A 355 48.453 56.335 30.933 1.00 30.38 C ATOM 514 CE LYS A 355 49.569 55.873 31.807 1.00 37.55 C ATOM 515 NZ LYS A 355 50.614 55.138 31.061 1.00 65.98 N ATOM 516 HZ1 LYS A 355 50.193 54.300 30.612 1.00 0.00 H ATOM 517 HZ2 LYS A 355 51.018 55.758 30.330 1.00 0.00 H ATOM 518 HZ3 LYS A 355 51.363 54.841 31.718 1.00 0.00 H ATOM 519 H LYS A 355 47.149 60.588 33.032 1.00 0.00 H ATOM 520 N GLY A 356 44.769 57.021 33.979 1.00 14.11 N ATOM 521 CA GLY A 356 44.369 56.185 35.097 1.00 16.13 C ATOM 522 C GLY A 356 43.154 56.709 35.836 1.00 15.43 C ATOM 523 O GLY A 356 42.594 56.013 36.682 1.00 15.17 O ATOM 524 H GLY A 356 44.255 56.940 33.079 1.00 0.00 H ATOM 525 N ASP A 357 42.747 57.937 35.529 1.00 17.22 N ATOM 526 CA ASP A 357 41.498 58.477 36.059 1.00 13.86 C ATOM 527 C ASP A 357 40.309 57.746 35.458 1.00 15.33 C ATOM 528 O ASP A 357 40.258 57.521 34.247 1.00 15.52 O ATOM 529 CB ASP A 357 41.364 59.974 35.760 1.00 14.76 C ATOM 530 CG ASP A 357 42.095 60.846 36.758 1.00 17.72 C ATOM 531 OD1 ASP A 357 42.359 60.392 37.892 1.00 16.83 O ATOM 532 OD2 ASP A 357 42.393 62.007 36.406 1.00 17.75 O ATOM 533 H ASP A 357 43.330 58.525 34.899 1.00 0.00 H ATOM 534 N GLN A 358 39.351 57.378 36.301 1.00 13.87 N ATOM 535 CA GLN A 358 38.070 56.891 35.811 1.00 12.75 C ATOM 536 C GLN A 358 37.118 58.069 35.671 1.00 13.11 C ATOM 537 O GLN A 358 37.027 58.906 36.568 1.00 16.05 O ATOM 538 CB GLN A 358 37.470 55.841 36.748 1.00 14.26 C ATOM 539 CG GLN A 358 36.162 55.259 36.224 1.00 14.47 C ATOM 540 CD GLN A 358 35.515 54.284 37.184 1.00 24.97 C ATOM 541 OE1 GLN A 358 36.094 53.919 38.203 1.00 21.95 O ATOM 542 NE2 GLN A 358 34.300 53.860 36.861 1.00 17.18 N ATOM 543 HE22 GLN A 358 33.847 54.196 35.987 1.00 0.00 H ATOM 544 HE21 GLN A 358 33.800 53.192 37.482 1.00 0.00 H ATOM 545 H GLN A 358 39.519 57.439 37.326 1.00 0.00 H ATOM 546 N ILE A 359 36.418 58.136 34.544 1.00 12.62 N ATOM 547 CA ILE A 359 35.402 59.159 34.345 1.00 16.21 C ATOM 548 C ILE A 359 34.110 58.671 34.983 1.00 15.74 C ATOM 549 O ILE A 359 33.482 57.738 34.487 1.00 20.00 O ATOM 550 CB ILE A 359 35.193 59.477 32.855 1.00 14.56 C ATOM 551 CG1 ILE A 359 36.528 59.783 32.168 1.00 18.21 C ATOM 552 CG2 ILE A 359 34.232 60.643 32.691 1.00 15.54 C ATOM 553 CD1 ILE A 359 37.310 60.912 32.794 1.00 24.17 C ATOM 554 H ILE A 359 36.599 57.444 33.789 1.00 0.00 H ATOM 555 N LEU A 360 33.718 59.301 36.083 1.00 16.09 N ATOM 556 CA LEU A 360 32.522 58.885 36.805 1.00 15.31 C ATOM 557 C LEU A 360 31.274 59.487 36.177 1.00 14.41 C ATOM 558 O LEU A 360 30.223 58.849 36.142 1.00 16.74 O ATOM 559 CB LEU A 360 32.613 59.284 38.281 1.00 16.40 C ATOM 560 CG LEU A 360 33.812 58.741 39.063 1.00 14.29 C ATOM 561 CD1 LEU A 360 33.668 59.072 40.544 1.00 23.01 C ATOM 562 CD2 LEU A 360 33.984 57.241 38.866 1.00 26.91 C ATOM 563 H LEU A 360 34.274 60.106 36.436 1.00 0.00 H ATOM 564 N SER A 361 31.390 60.714 35.678 1.00 14.21 N ATOM 565 CA SER A 361 30.259 61.373 35.037 1.00 16.79 C ATOM 566 C SER A 361 30.698 62.549 34.168 1.00 21.06 C ATOM 567 O SER A 361 31.790 63.095 34.342 1.00 21.27 O ATOM 568 CB SER A 361 29.258 61.853 36.092 1.00 17.69 C ATOM 569 OG SER A 361 29.821 62.855 36.924 1.00 18.69 O ATOM 570 HG SER A 361 30.089 63.630 36.370 1.00 0.00 H ATOM 571 H SER A 361 32.301 61.211 35.746 1.00 0.00 H ATOM 572 N VAL A 362 29.862 62.916 33.219 1.00 20.31 N ATOM 573 CA VAL A 362 30.060 64.119 32.433 1.00 17.56 C ATOM 574 C VAL A 362 28.762 64.938 32.409 1.00 21.35 C ATOM 575 O VAL A 362 27.763 64.434 32.019 1.00 18.41 O ATOM 576 CB VAL A 362 30.509 63.812 30.986 1.00 23.88 C ATOM 577 CG1 VAL A 362 29.504 63.014 30.268 1.00 25.24 C ATOM 578 CG2 VAL A 362 30.824 65.085 30.256 1.00 23.53 C ATOM 579 H VAL A 362 29.030 62.322 33.026 1.00 0.00 H ATOM 580 N ASN A 363 28.844 66.183 32.846 1.00 19.53 N ATOM 581 CA ASN A 363 27.685 67.063 32.964 1.00 19.28 C ATOM 582 C ASN A 363 26.512 66.376 33.660 1.00 21.47 C ATOM 583 O ASN A 363 25.360 66.542 33.263 1.00 23.57 O ATOM 584 CB ASN A 363 27.252 67.563 31.585 1.00 21.66 C ATOM 585 CG ASN A 363 28.288 68.460 30.940 1.00 23.39 C ATOM 586 OD1 ASN A 363 29.267 68.852 31.573 1.00 23.93 O ATOM 587 ND2 ASN A 363 28.069 68.801 29.677 1.00 30.05 N ATOM 588 HD22 ASN A 363 27.227 68.445 29.181 1.00 0.00 H ATOM 589 HD21 ASN A 363 28.739 69.424 29.183 1.00 0.00 H ATOM 590 H ASN A 363 29.777 66.553 33.118 1.00 0.00 H ATOM 591 N GLY A 364 26.811 65.604 34.701 1.00 23.76 N ATOM 592 CA GLY A 364 25.776 64.983 35.508 1.00 25.61 C ATOM 593 C GLY A 364 25.328 63.620 35.009 1.00 26.07 C ATOM 594 O GLY A 364 24.549 62.935 35.671 1.00 31.89 O ATOM 595 H GLY A 364 27.809 65.441 34.943 1.00 0.00 H ATOM 596 N VAL A 365 25.817 63.223 33.838 1.00 24.41 N ATOM 597 CA VAL A 365 25.482 61.920 33.276 1.00 23.40 C ATOM 598 C VAL A 365 26.445 60.864 33.808 1.00 21.23 C ATOM 599 O VAL A 365 27.643 60.898 33.527 1.00 19.72 O ATOM 600 CB VAL A 365 25.498 61.957 31.739 1.00 22.58 C ATOM 601 CG1 VAL A 365 25.155 60.587 31.162 1.00 44.49 C ATOM 602 CG2 VAL A 365 24.522 63.005 31.232 1.00 29.91 C ATOM 603 H VAL A 365 26.452 63.856 33.311 1.00 0.00 H ATOM 604 N ASP A 366 25.902 59.929 34.580 1.00 21.78 N ATOM 605 CA ASP A 366 26.676 58.843 35.172 1.00 20.48 C ATOM 606 C ASP A 366 27.267 57.932 34.095 1.00 22.76 C ATOM 607 O ASP A 366 26.535 57.379 33.270 1.00 21.71 O ATOM 608 CB ASP A 366 25.785 58.041 36.123 1.00 23.91 C ATOM 609 CG ASP A 366 26.528 56.924 36.829 1.00 21.61 C ATOM 610 OD1 ASP A 366 27.774 56.899 36.782 1.00 22.10 O ATOM 611 OD2 ASP A 366 25.857 56.071 37.448 1.00 33.91 O ATOM 612 H ASP A 366 24.881 59.973 34.771 1.00 0.00 H ATOM 613 N LEU A 367 28.579 57.800 34.071 1.00 19.46 N ATOM 614 CA LEU A 367 29.259 56.944 33.115 1.00 16.96 C ATOM 615 C LEU A 367 29.982 55.744 33.714 1.00 20.84 C ATOM 616 O LEU A 367 30.696 55.076 33.038 1.00 14.95 O ATOM 617 CB LEU A 367 30.261 57.741 32.315 1.00 19.08 C ATOM 618 CG LEU A 367 29.812 58.965 31.551 1.00 18.35 C ATOM 619 CD1 LEU A 367 30.999 59.581 30.846 1.00 26.10 C ATOM 620 CD2 LEU A 367 28.718 58.583 30.598 1.00 21.76 C ATOM 621 H LEU A 367 29.148 58.329 34.763 1.00 0.00 H ATOM 622 N ARG A 368 29.762 55.498 34.998 1.00 16.65 N ATOM 623 CA ARG A 368 30.436 54.397 35.681 1.00 20.54 C ATOM 624 C ARG A 368 30.202 53.055 34.993 1.00 19.83 C ATOM 625 O ARG A 368 31.063 52.177 35.027 1.00 23.33 O ATOM 626 CB ARG A 368 29.972 54.312 37.133 1.00 16.72 C ATOM 627 CG ARG A 368 30.519 55.414 38.025 1.00 16.15 C ATOM 628 CD ARG A 368 29.907 55.346 39.412 1.00 18.75 C ATOM 629 NE ARG A 368 28.449 55.428 39.354 1.00 19.50 N ATOM 630 CZ ARG A 368 27.618 54.816 40.194 1.00 18.61 C ATOM 631 NH1 ARG A 368 28.082 54.066 41.187 1.00 28.06 N ATOM 632 NH2 ARG A 368 26.310 54.958 40.040 1.00 22.77 N ATOM 633 HE ARG A 368 28.029 56.008 38.600 1.00 0.00 H ATOM 634 HH12 ARG A 368 27.420 53.594 41.835 1.00 0.00 H ATOM 635 HH11 ARG A 368 29.107 53.951 41.316 1.00 0.00 H ATOM 636 HH22 ARG A 368 25.655 54.482 40.693 1.00 0.00 H ATOM 637 HH21 ARG A 368 25.938 55.545 39.266 1.00 0.00 H ATOM 638 H ARG A 368 29.099 56.099 35.528 1.00 0.00 H ATOM 639 N ASN A 369 29.082 52.965 34.315 1.00 22.45 N ATOM 640 CA ASN A 369 28.664 51.710 33.717 1.00 19.51 C ATOM 641 C ASN A 369 28.461 51.814 32.205 1.00 22.73 C ATOM 642 O ASN A 369 27.889 50.979 31.580 1.00 28.98 O ATOM 643 CB ASN A 369 27.436 51.218 34.441 1.00 27.49 C ATOM 644 CG ASN A 369 27.740 50.865 35.883 1.00 25.32 C ATOM 645 OD1 ASN A 369 27.281 51.501 36.823 1.00 26.00 O ATOM 646 ND2 ASN A 369 28.540 49.872 36.049 1.00 19.90 N ATOM 647 HD22 ASN A 369 28.908 49.357 35.224 1.00 0.00 H ATOM 648 HD21 ASN A 369 28.819 49.584 37.009 1.00 0.00 H ATOM 649 H ASN A 369 28.483 53.808 34.204 1.00 0.00 H ATOM 650 N ALA A 370 28.940 52.901 31.674 1.00 19.45 N ATOM 651 CA ALA A 370 28.744 53.202 30.261 1.00 19.31 C ATOM 652 C ALA A 370 29.558 52.281 29.364 1.00 23.01 C ATOM 653 O ALA A 370 30.542 51.681 29.799 1.00 22.48 O ATOM 654 CB ALA A 370 29.113 54.649 29.978 1.00 17.58 C ATOM 655 H ALA A 370 29.473 53.568 32.269 1.00 0.00 H ATOM 656 N SER A 371 29.135 52.172 28.109 1.00 21.00 N ATOM 657 CA SER A 371 29.943 51.539 27.082 1.00 19.65 C ATOM 658 C SER A 371 30.936 52.567 26.551 1.00 25.57 C ATOM 659 O SER A 371 30.699 53.771 26.645 1.00 21.99 O ATOM 660 CB SER A 371 29.073 50.999 25.948 1.00 31.18 C ATOM 661 OG SER A 371 28.477 52.060 25.222 1.00 31.35 O ATOM 662 HG SER A 371 27.919 51.688 24.494 1.00 0.00 H ATOM 663 H SER A 371 28.200 52.550 27.856 1.00 0.00 H ATOM 664 N ALA A 372 32.043 52.094 25.991 1.00 24.28 N ATOM 665 CA ALA A 372 33.074 52.990 25.480 1.00 23.46 C ATOM 666 C ALA A 372 32.513 53.934 24.420 1.00 18.16 C ATOM 667 O ALA A 372 32.827 55.124 24.415 1.00 19.48 O ATOM 668 CB ALA A 372 34.232 52.194 24.913 1.00 20.06 C ATOM 669 H ALA A 372 32.177 51.065 25.915 1.00 0.00 H ATOM 670 N GLU A 373 31.686 53.420 23.516 1.00 20.88 N ATOM 671 CA GLU A 373 31.158 54.258 22.434 1.00 25.90 C ATOM 672 C GLU A 373 30.192 55.306 22.922 1.00 27.45 C ATOM 673 O GLU A 373 30.250 56.407 22.512 1.00 21.10 O ATOM 674 CB GLU A 373 30.486 53.461 21.316 1.00 29.24 C ATOM 675 CG GLU A 373 29.997 54.398 20.225 1.00 49.30 C ATOM 676 CD GLU A 373 29.332 53.734 19.056 1.00 68.18 C ATOM 677 OE1 GLU A 373 29.108 54.434 18.044 1.00 71.73 O ATOM 678 OE2 GLU A 373 29.022 52.546 19.165 1.00 71.34 O ATOM 679 H GLU A 373 31.412 52.419 23.576 1.00 0.00 H ATOM 680 N GLN A 374 29.288 54.928 23.801 1.00 21.89 N ATOM 681 CA GLN A 374 28.322 55.896 24.309 1.00 22.38 C ATOM 682 C GLN A 374 29.016 56.920 25.200 1.00 20.26 C ATOM 683 O GLN A 374 28.623 58.086 25.239 1.00 21.52 O ATOM 684 CB GLN A 374 27.198 55.197 25.074 1.00 29.45 C ATOM 685 CG GLN A 374 26.199 54.477 24.184 1.00 36.87 C ATOM 686 CD GLN A 374 25.452 55.416 23.253 1.00 29.72 C ATOM 687 OE1 GLN A 374 25.230 56.585 23.572 1.00 29.41 O ATOM 688 NE2 GLN A 374 25.064 54.909 22.092 1.00 34.79 N ATOM 689 HE22 GLN A 374 25.272 53.916 21.863 1.00 0.00 H ATOM 690 HE21 GLN A 374 24.551 55.504 21.410 1.00 0.00 H ATOM 691 H GLN A 374 29.263 53.942 24.132 1.00 0.00 H ATOM 692 N ALA A 375 30.052 56.484 25.907 1.00 20.33 N ATOM 693 CA ALA A 375 30.865 57.397 26.699 1.00 18.71 C ATOM 694 C ALA A 375 31.479 58.459 25.791 1.00 14.82 C ATOM 695 O ALA A 375 31.455 59.649 26.104 1.00 15.53 O ATOM 696 CB ALA A 375 31.951 56.638 27.444 1.00 20.90 C ATOM 697 H ALA A 375 30.287 55.471 25.895 1.00 0.00 H ATOM 698 N ALA A 376 32.020 58.019 24.659 1.00 16.96 N ATOM 699 CA ALA A 376 32.642 58.929 23.705 1.00 17.33 C ATOM 700 C ALA A 376 31.612 59.907 23.154 1.00 17.43 C ATOM 701 O ALA A 376 31.890 61.096 22.996 1.00 20.21 O ATOM 702 CB ALA A 376 33.295 58.150 22.575 1.00 17.44 C ATOM 703 H ALA A 376 31.999 57.001 24.449 1.00 0.00 H ATOM 704 N ILE A 377 30.421 59.395 22.863 1.00 19.47 N ATOM 705 CA ILE A 377 29.335 60.217 22.346 1.00 19.38 C ATOM 706 C ILE A 377 28.975 61.284 23.374 1.00 20.79 C ATOM 707 O ILE A 377 28.815 62.458 23.037 1.00 22.12 O ATOM 708 CB ILE A 377 28.116 59.346 21.980 1.00 23.70 C ATOM 709 CG1 ILE A 377 28.447 58.476 20.764 1.00 32.98 C ATOM 710 CG2 ILE A 377 26.885 60.211 21.693 1.00 32.86 C ATOM 711 CD1 ILE A 377 27.430 57.391 20.479 1.00 38.42 C ATOM 712 H ILE A 377 30.259 58.378 23.009 1.00 0.00 H ATOM 713 N ALA A 378 28.856 60.869 24.631 1.00 23.78 N ATOM 714 CA ALA A 378 28.507 61.782 25.712 1.00 20.25 C ATOM 715 C ALA A 378 29.537 62.898 25.850 1.00 23.60 C ATOM 716 O ALA A 378 29.181 64.066 26.008 1.00 19.61 O ATOM 717 CB ALA A 378 28.381 61.021 27.020 1.00 25.08 C ATOM 718 H ALA A 378 29.016 59.865 24.849 1.00 0.00 H ATOM 719 N LEU A 379 30.813 62.531 25.790 1.00 18.28 N ATOM 720 CA LEU A 379 31.896 63.497 25.938 1.00 21.01 C ATOM 721 C LEU A 379 31.978 64.440 24.740 1.00 18.02 C ATOM 722 O LEU A 379 32.144 65.648 24.901 1.00 21.99 O ATOM 723 CB LEU A 379 33.227 62.766 26.131 1.00 21.20 C ATOM 724 CG LEU A 379 33.363 62.071 27.490 1.00 18.08 C ATOM 725 CD1 LEU A 379 34.419 60.982 27.456 1.00 15.01 C ATOM 726 CD2 LEU A 379 33.684 63.092 28.573 1.00 17.42 C ATOM 727 H LEU A 379 31.045 61.529 25.634 1.00 0.00 H ATOM 728 N LYS A 380 31.853 63.886 23.540 1.00 18.84 N ATOM 729 CA LYS A 380 31.934 64.680 22.320 1.00 18.04 C ATOM 730 C LYS A 380 30.758 65.649 22.184 1.00 22.36 C ATOM 731 O LYS A 380 30.879 66.691 21.541 1.00 23.95 O ATOM 732 CB LYS A 380 31.993 63.766 21.095 1.00 19.20 C ATOM 733 CG LYS A 380 33.318 63.047 20.914 1.00 20.70 C ATOM 734 CD LYS A 380 33.279 62.134 19.702 1.00 25.82 C ATOM 735 CE LYS A 380 34.672 61.725 19.262 1.00 49.40 C ATOM 736 NZ LYS A 380 34.625 60.828 18.076 1.00 65.20 N ATOM 737 HZ1 LYS A 380 34.088 59.970 18.313 1.00 0.00 H ATOM 738 HZ2 LYS A 380 34.161 61.322 17.287 1.00 0.00 H ATOM 739 HZ3 LYS A 380 35.594 60.567 17.801 1.00 0.00 H ATOM 740 H LYS A 380 31.693 62.861 23.469 1.00 0.00 H ATOM 741 N ASN A 381 29.625 65.302 22.788 1.00 21.88 N ATOM 742 CA ASN A 381 28.417 66.118 22.683 1.00 25.39 C ATOM 743 C ASN A 381 28.119 66.877 23.974 1.00 25.92 C ATOM 744 O ASN A 381 27.027 67.417 24.146 1.00 29.25 O ATOM 745 CB ASN A 381 27.219 65.241 22.317 1.00 28.27 C ATOM 746 CG ASN A 381 27.307 64.689 20.908 1.00 39.91 C ATOM 747 OD1 ASN A 381 26.793 65.287 19.962 1.00 49.97 O ATOM 748 ND2 ASN A 381 27.959 63.541 20.761 1.00 42.59 N ATOM 749 HD22 ASN A 381 28.377 63.071 21.589 1.00 0.00 H ATOM 750 HD21 ASN A 381 28.051 63.112 19.818 1.00 0.00 H ATOM 751 H ASN A 381 29.598 64.427 23.350 1.00 0.00 H ATOM 752 N ALA A 382 29.095 66.927 24.874 1.00 29.04 N ATOM 753 CA ALA A 382 28.886 67.495 26.202 1.00 24.66 C ATOM 754 C ALA A 382 28.680 69.009 26.172 1.00 28.49 C ATOM 755 O ALA A 382 28.198 69.593 27.143 1.00 34.21 O ATOM 756 CB ALA A 382 30.060 67.151 27.102 1.00 20.77 C ATOM 757 H ALA A 382 30.033 66.552 24.626 1.00 0.00 H ATOM 758 N GLY A 383 29.048 69.642 25.064 1.00 26.64 N ATOM 759 CA GLY A 383 28.949 71.085 24.950 1.00 28.48 C ATOM 760 C GLY A 383 30.280 71.775 25.178 1.00 30.17 C ATOM 761 O GLY A 383 31.303 71.120 25.375 1.00 25.67 O ATOM 762 H GLY A 383 29.415 69.092 24.261 1.00 0.00 H ATOM 763 N GLN A 384 30.263 73.094 25.201 1.00 26.28 N ATOM 764 CA GLN A 384 31.489 73.860 25.287 1.00 35.13 C ATOM 765 C GLN A 384 32.100 73.797 26.659 1.00 38.55 C ATOM 766 O GLN A 384 33.286 73.831 26.790 1.00 28.06 O ATOM 767 CB GLN A 384 31.291 75.332 24.870 1.00 31.02 C ATOM 768 CG GLN A 384 30.651 75.487 23.514 1.00 39.65 C ATOM 769 CD GLN A 384 30.078 76.876 23.264 1.00 44.13 C ATOM 770 OE1 GLN A 384 30.717 77.718 22.679 1.00 52.23 O ATOM 771 NE2 GLN A 384 28.877 77.093 23.711 1.00 39.01 N ATOM 772 HE22 GLN A 384 28.363 76.338 24.209 1.00 0.00 H ATOM 773 HE21 GLN A 384 28.430 78.021 23.570 1.00 0.00 H ATOM 774 H GLN A 384 29.352 73.593 25.157 1.00 0.00 H ATOM 775 N THR A 385 31.281 73.726 27.683 1.00 24.89 N ATOM 776 CA THR A 385 31.750 73.609 29.040 1.00 23.82 C ATOM 777 C THR A 385 31.463 72.201 29.552 1.00 26.92 C ATOM 778 O THR A 385 30.346 71.789 29.652 1.00 29.90 O ATOM 779 CB THR A 385 31.035 74.589 29.964 1.00 34.09 C ATOM 780 OG1 THR A 385 31.275 75.922 29.538 1.00 32.72 O ATOM 781 CG2 THR A 385 31.521 74.433 31.342 1.00 33.50 C ATOM 782 HG1 THR A 385 32.248 76.104 29.560 1.00 0.00 H ATOM 783 H THR A 385 30.256 73.755 27.508 1.00 0.00 H ATOM 784 N VAL A 386 32.505 71.465 29.851 1.00 20.78 N ATOM 785 CA VAL A 386 32.397 70.056 30.205 1.00 19.39 C ATOM 786 C VAL A 386 32.780 69.854 31.666 1.00 24.88 C ATOM 787 O VAL A 386 33.914 70.125 32.063 1.00 23.32 O ATOM 788 CB VAL A 386 33.274 69.191 29.282 1.00 18.82 C ATOM 789 CG1 VAL A 386 33.030 67.714 29.539 1.00 27.25 C ATOM 790 CG2 VAL A 386 33.002 69.534 27.823 1.00 26.40 C ATOM 791 H VAL A 386 33.447 71.905 29.835 1.00 0.00 H ATOM 792 N THR A 387 31.825 69.374 32.459 1.00 20.11 N ATOM 793 CA THR A 387 32.052 69.122 33.880 1.00 19.70 C ATOM 794 C THR A 387 32.257 67.633 34.129 1.00 21.15 C ATOM 795 O THR A 387 31.315 66.840 34.056 1.00 18.88 O ATOM 796 CB THR A 387 30.875 69.624 34.740 1.00 22.53 C ATOM 797 OG1 THR A 387 30.674 71.021 34.506 1.00 21.74 O ATOM 798 CG2 THR A 387 31.148 69.402 36.220 1.00 22.47 C ATOM 799 HG1 THR A 387 30.470 71.168 33.549 1.00 0.00 H ATOM 800 H THR A 387 30.888 69.172 32.055 1.00 0.00 H ATOM 801 N ILE A 388 33.495 67.263 34.433 1.00 15.94 N ATOM 802 CA ILE A 388 33.848 65.871 34.661 1.00 14.99 C ATOM 803 C ILE A 388 34.021 65.605 36.149 1.00 19.48 C ATOM 804 O ILE A 388 34.659 66.381 36.861 1.00 20.88 O ATOM 805 CB ILE A 388 35.129 65.498 33.887 1.00 16.32 C ATOM 806 CG1 ILE A 388 34.848 65.497 32.384 1.00 18.92 C ATOM 807 CG2 ILE A 388 35.664 64.134 34.322 1.00 19.32 C ATOM 808 CD1 ILE A 388 36.095 65.512 31.525 1.00 24.27 C ATOM 809 H ILE A 388 34.234 67.990 34.510 1.00 0.00 H ATOM 810 N ILE A 389 33.432 64.509 36.613 1.00 16.02 N ATOM 811 CA ILE A 389 33.769 63.956 37.914 1.00 14.90 C ATOM 812 C ILE A 389 34.672 62.764 37.655 1.00 14.59 C ATOM 813 O ILE A 389 34.255 61.789 37.031 1.00 17.91 O ATOM 814 CB ILE A 389 32.526 63.546 38.720 1.00 15.21 C ATOM 815 CG1 ILE A 389 31.543 64.715 38.838 1.00 23.71 C ATOM 816 CG2 ILE A 389 32.935 63.044 40.101 1.00 15.27 C ATOM 817 CD1 ILE A 389 32.112 65.949 39.515 1.00 25.70 C ATOM 818 H ILE A 389 32.712 64.035 36.031 1.00 0.00 H ATOM 819 N ALA A 390 35.912 62.851 38.124 1.00 14.82 N ATOM 820 CA ALA A 390 36.885 61.791 37.895 1.00 14.83 C ATOM 821 C ALA A 390 37.430 61.259 39.212 1.00 13.02 C ATOM 822 O ALA A 390 37.446 61.963 40.224 1.00 16.86 O ATOM 823 CB ALA A 390 38.020 62.297 37.018 1.00 17.08 C ATOM 824 H ALA A 390 36.194 63.693 38.666 1.00 0.00 H ATOM 825 N GLN A 391 37.898 60.026 39.182 1.00 14.47 N ATOM 826 CA GLN A 391 38.501 59.388 40.329 1.00 13.13 C ATOM 827 C GLN A 391 39.657 58.500 39.912 1.00 13.24 C ATOM 828 O GLN A 391 39.522 57.703 39.048 1.00 13.71 O ATOM 829 CB GLN A 391 37.469 58.594 41.097 1.00 16.37 C ATOM 830 CG GLN A 391 37.961 58.013 42.398 1.00 16.05 C ATOM 831 CD GLN A 391 36.860 57.421 43.206 1.00 25.87 C ATOM 832 OE1 GLN A 391 35.854 56.994 42.695 1.00 22.69 O ATOM 833 NE2 GLN A 391 37.055 57.401 44.480 1.00 25.98 N ATOM 834 HE22 GLN A 391 37.938 57.780 44.877 1.00 0.00 H ATOM 835 HE21 GLN A 391 36.329 57.005 45.111 1.00 0.00 H ATOM 836 H GLN A 391 37.830 59.490 38.294 1.00 0.00 H ATOM 837 N TYR A 392 40.781 58.682 40.569 1.00 13.45 N ATOM 838 CA TYR A 392 42.010 57.996 40.189 1.00 13.01 C ATOM 839 C TYR A 392 41.969 56.529 40.609 1.00 22.20 C ATOM 840 O TYR A 392 41.895 56.211 41.798 1.00 15.71 O ATOM 841 CB TYR A 392 43.213 58.705 40.813 1.00 14.74 C ATOM 842 CG TYR A 392 44.564 58.206 40.349 1.00 14.31 C ATOM 843 CD1 TYR A 392 44.888 58.161 38.998 1.00 13.44 C ATOM 844 CD2 TYR A 392 45.527 57.806 41.267 1.00 15.74 C ATOM 845 CE1 TYR A 392 46.131 57.715 38.575 1.00 20.16 C ATOM 846 CE2 TYR A 392 46.768 57.361 40.854 1.00 18.88 C ATOM 847 CZ TYR A 392 47.066 57.318 39.508 1.00 20.40 C ATOM 848 OH TYR A 392 48.304 56.874 39.098 1.00 18.54 O ATOM 849 HH TYR A 392 48.438 55.943 39.407 1.00 0.00 H ATOM 850 H TYR A 392 40.794 59.332 41.381 1.00 0.00 H ATOM 851 N LYS A 393 42.020 55.655 39.622 1.00 14.94 N ATOM 852 CA LYS A 393 41.911 54.222 39.804 1.00 13.68 C ATOM 853 C LYS A 393 43.029 53.461 39.072 1.00 17.06 C ATOM 854 O LYS A 393 42.777 52.757 38.146 1.00 19.52 O ATOM 855 CB LYS A 393 40.544 53.721 39.322 1.00 15.45 C ATOM 856 CG LYS A 393 39.373 54.281 40.068 1.00 19.54 C ATOM 857 CD LYS A 393 39.123 53.504 41.314 1.00 31.03 C ATOM 858 CE LYS A 393 37.796 53.844 41.937 1.00 48.61 C ATOM 859 NZ LYS A 393 37.304 52.727 42.736 1.00 75.42 N ATOM 860 HZ1 LYS A 393 37.188 51.892 42.127 1.00 0.00 H ATOM 861 HZ2 LYS A 393 37.987 52.515 43.491 1.00 0.00 H ATOM 862 HZ3 LYS A 393 36.388 52.981 43.157 1.00 0.00 H ATOM 863 H LYS A 393 42.146 56.017 38.655 1.00 0.00 H ATOM 864 N PRO A 394 44.258 53.637 39.512 1.00 16.96 N ATOM 865 CA PRO A 394 45.393 53.102 38.753 1.00 14.14 C ATOM 866 C PRO A 394 45.420 51.577 38.670 1.00 15.99 C ATOM 867 O PRO A 394 45.877 51.035 37.663 1.00 21.10 O ATOM 868 CB PRO A 394 46.606 53.628 39.527 1.00 15.42 C ATOM 869 CG PRO A 394 46.112 53.846 40.907 1.00 15.51 C ATOM 870 CD PRO A 394 44.685 54.282 40.765 1.00 18.20 C ATOM 871 N GLU A 395 44.940 50.895 39.706 1.00 15.62 N ATOM 872 CA GLU A 395 44.942 49.436 39.705 1.00 20.41 C ATOM 873 C GLU A 395 44.009 48.897 38.627 1.00 20.84 C ATOM 874 O GLU A 395 44.376 48.001 37.868 1.00 20.95 O ATOM 875 CB GLU A 395 44.531 48.883 41.072 1.00 24.68 C ATOM 876 CG GLU A 395 45.556 49.114 42.172 1.00 25.62 C ATOM 877 CD GLU A 395 45.517 50.523 42.727 1.00 29.99 C ATOM 878 OE1 GLU A 395 44.517 51.233 42.485 1.00 23.88 O ATOM 879 OE2 GLU A 395 46.488 50.922 43.405 1.00 29.74 O ATOM 880 H GLU A 395 44.559 51.408 40.527 1.00 0.00 H ATOM 881 N GLU A 396 42.817 49.419 38.536 1.00 19.21 N ATOM 882 CA GLU A 396 41.882 49.003 37.529 1.00 21.23 C ATOM 883 C GLU A 396 42.387 49.335 36.148 1.00 20.90 C ATOM 884 O GLU A 396 42.197 48.609 35.233 1.00 22.53 O ATOM 885 CB GLU A 396 40.539 49.664 37.752 1.00 24.11 C ATOM 886 CG GLU A 396 39.708 49.016 38.815 1.00 30.62 C ATOM 887 CD GLU A 396 39.777 49.725 40.105 1.00 47.80 C ATOM 888 OE1 GLU A 396 40.824 50.330 40.378 1.00 26.10 O ATOM 889 OE2 GLU A 396 38.755 49.708 40.815 1.00 61.80 O ATOM 890 H GLU A 396 42.536 50.158 39.212 1.00 0.00 H ATOM 891 N TYR A 397 42.926 50.514 36.021 1.00 16.20 N ATOM 892 CA TYR A 397 43.419 50.940 34.719 1.00 14.94 C ATOM 893 C TYR A 397 44.555 50.053 34.222 1.00 14.90 C ATOM 894 O TYR A 397 44.641 49.752 33.030 1.00 17.67 O ATOM 895 CB TYR A 397 43.910 52.386 34.745 1.00 22.13 C ATOM 896 CG TYR A 397 44.641 52.724 33.468 1.00 18.45 C ATOM 897 CD1 TYR A 397 43.940 53.045 32.314 1.00 22.66 C ATOM 898 CD2 TYR A 397 46.029 52.676 33.402 1.00 16.96 C ATOM 899 CE1 TYR A 397 44.598 53.330 31.136 1.00 15.59 C ATOM 900 CE2 TYR A 397 46.695 52.957 32.227 1.00 16.15 C ATOM 901 CZ TYR A 397 45.972 53.282 31.097 1.00 16.85 C ATOM 902 OH TYR A 397 46.630 53.564 29.927 1.00 22.00 O ATOM 903 HH TYR A 397 47.167 52.778 29.654 1.00 0.00 H ATOM 904 H TYR A 397 43.004 51.146 36.843 1.00 0.00 H ATOM 905 N SER A 398 45.436 49.652 35.133 1.00 17.22 N ATOM 906 CA SER A 398 46.635 48.909 34.757 1.00 21.41 C ATOM 907 C SER A 398 46.287 47.590 34.067 1.00 24.74 C ATOM 908 O SER A 398 47.131 46.995 33.395 1.00 26.80 O ATOM 909 CB SER A 398 47.509 48.644 35.985 1.00 25.09 C ATOM 910 OG SER A 398 46.868 47.766 36.893 1.00 32.56 O ATOM 911 HG SER A 398 46.015 48.169 37.194 1.00 0.00 H ATOM 912 H SER A 398 45.267 49.872 36.135 1.00 0.00 H ATOM 913 N ARG A 399 45.048 47.136 34.234 1.00 23.96 N ATOM 914 CA ARG A 399 44.560 45.951 33.534 1.00 23.34 C ATOM 915 C ARG A 399 44.636 46.127 32.023 1.00 24.63 C ATOM 916 O ARG A 399 44.806 45.158 31.282 1.00 19.02 O ATOM 917 CB ARG A 399 43.112 45.649 33.928 1.00 31.28 C ATOM 918 CG ARG A 399 42.950 44.813 35.185 1.00 78.41 C ATOM 919 CD ARG A 399 41.493 44.774 35.645 1.00111.28 C ATOM 920 NE ARG A 399 40.552 44.790 34.521 1.00101.89 N ATOM 921 CZ ARG A 399 39.808 45.835 34.157 1.00 78.24 C ATOM 922 NH1 ARG A 399 38.993 45.726 33.116 1.00 58.83 N ATOM 923 NH2 ARG A 399 39.860 46.986 34.822 1.00 39.51 N ATOM 924 HE ARG A 399 40.457 43.917 33.963 1.00 0.00 H ATOM 925 HH12 ARG A 399 38.409 46.536 32.825 1.00 0.00 H ATOM 926 HH11 ARG A 399 38.938 44.830 32.590 1.00 0.00 H ATOM 927 HH22 ARG A 399 39.271 47.788 34.520 1.00 0.00 H ATOM 928 HH21 ARG A 399 40.490 47.084 35.644 1.00 0.00 H ATOM 929 H ARG A 399 44.409 47.639 34.882 1.00 0.00 H ATOM 930 N PHE A 400 44.503 47.371 31.576 1.00 18.52 N ATOM 931 CA PHE A 400 44.356 47.668 30.156 1.00 15.75 C ATOM 932 C PHE A 400 45.690 47.800 29.421 1.00 17.87 C ATOM 933 O PHE A 400 45.820 47.353 28.281 1.00 21.33 O ATOM 934 CB PHE A 400 43.550 48.955 29.974 1.00 17.12 C ATOM 935 CG PHE A 400 42.103 48.828 30.365 1.00 17.91 C ATOM 936 CD1 PHE A 400 41.201 48.182 29.535 1.00 25.40 C ATOM 937 CD2 PHE A 400 41.643 49.367 31.554 1.00 19.64 C ATOM 938 CE1 PHE A 400 39.868 48.069 29.889 1.00 34.34 C ATOM 939 CE2 PHE A 400 40.311 49.256 31.914 1.00 30.19 C ATOM 940 CZ PHE A 400 39.424 48.607 31.080 1.00 33.95 C ATOM 941 H PHE A 400 44.504 48.156 32.259 1.00 0.00 H ATOM 942 N GLU A 401 46.674 48.418 30.064 1.00 16.96 N ATOM 943 CA GLU A 401 47.933 48.724 29.390 1.00 17.61 C ATOM 944 C GLU A 401 49.000 47.672 29.675 1.00 20.71 C ATOM 945 O GLU A 401 49.255 47.325 30.828 1.00 19.25 O ATOM 946 CB GLU A 401 48.441 50.108 29.802 1.00 19.58 C ATOM 947 CG GLU A 401 49.682 50.548 29.040 1.00 19.54 C ATOM 948 CD GLU A 401 49.991 52.028 29.204 1.00 23.55 C ATOM 949 OE1 GLU A 401 49.224 52.738 29.889 1.00 20.98 O ATOM 950 OE2 GLU A 401 51.009 52.484 28.642 1.00 28.99 O ATOM 951 H GLU A 401 46.546 48.688 31.060 1.00 0.00 H ATOM 952 N ALA A 402 49.627 47.186 28.609 1.00 17.19 N ATOM 953 CA ALA A 402 50.608 46.111 28.699 1.00 19.75 C ATOM 954 C ALA A 402 51.768 46.459 29.625 1.00 24.24 C ATOM 955 O ALA A 402 52.287 47.575 29.594 1.00 22.94 O ATOM 956 CB ALA A 402 51.134 45.774 27.310 1.00 20.80 C ATOM 957 H ALA A 402 49.410 47.588 27.675 1.00 0.00 H ATOM 958 N ASN A 403 52.165 45.486 30.443 1.00 23.33 N ATOM 959 CA ASN A 403 53.326 45.608 31.322 1.00 27.77 C ATOM 960 C ASN A 403 53.233 46.799 32.271 1.00 28.49 C ATOM 961 O ASN A 403 54.253 47.367 32.662 1.00 25.48 O ATOM 962 CB ASN A 403 54.608 45.718 30.492 1.00 29.86 C ATOM 963 CG ASN A 403 54.885 44.468 29.676 1.00 41.08 C ATOM 964 OD1 ASN A 403 55.105 44.539 28.466 1.00 53.86 O ATOM 965 ND2 ASN A 403 54.878 43.315 30.337 1.00 30.81 N ATOM 966 HD22 ASN A 403 54.687 43.303 31.359 1.00 0.00 H ATOM 967 HD21 ASN A 403 55.063 42.425 29.832 1.00 0.00 H ATOM 968 H ASN A 403 51.624 44.598 30.457 1.00 0.00 H ATOM 969 N SER A 404 52.012 47.168 32.644 1.00 28.37 N ATOM 970 CA SER A 404 51.802 48.287 33.555 1.00 26.53 C ATOM 971 C SER A 404 51.543 47.797 34.975 1.00 28.78 C ATOM 972 O SER A 404 51.046 46.690 35.183 1.00 27.27 O ATOM 973 CB SER A 404 50.634 49.154 33.083 1.00 27.85 C ATOM 974 OG SER A 404 49.408 48.447 33.155 1.00 26.17 O ATOM 975 HG SER A 404 49.458 47.643 32.579 1.00 0.00 H ATOM 976 H SER A 404 51.189 46.648 32.278 1.00 0.00 H ATOM 977 N ARG A 405 51.885 48.635 35.947 1.00 25.76 N ATOM 978 CA ARG A 405 51.689 48.310 37.351 1.00 19.97 C ATOM 979 C ARG A 405 51.651 49.602 38.156 1.00 22.53 C ATOM 980 O ARG A 405 51.952 50.674 37.634 1.00 23.22 O ATOM 981 CB ARG A 405 52.803 47.393 37.858 1.00 27.16 C ATOM 982 CG ARG A 405 54.183 48.015 37.774 1.00 22.93 C ATOM 983 CD ARG A 405 55.275 47.040 38.160 1.00 24.96 C ATOM 984 NE ARG A 405 56.600 47.586 37.875 1.00 26.88 N ATOM 985 CZ ARG A 405 57.274 48.396 38.686 1.00 29.51 C ATOM 986 NH1 ARG A 405 56.759 48.767 39.851 1.00 29.26 N ATOM 987 NH2 ARG A 405 58.473 48.836 38.329 1.00 30.25 N ATOM 988 HE ARG A 405 57.048 47.322 36.974 1.00 0.00 H ATOM 989 HH12 ARG A 405 57.294 49.401 40.478 1.00 0.00 H ATOM 990 HH11 ARG A 405 55.820 48.424 40.137 1.00 0.00 H ATOM 991 HH22 ARG A 405 59.004 49.470 38.960 1.00 0.00 H ATOM 992 HH21 ARG A 405 58.883 48.547 37.418 1.00 0.00 H ATOM 993 H ARG A 405 52.306 49.552 35.696 1.00 0.00 H ATOM 994 N VAL A 406 51.282 49.494 39.427 1.00 23.05 N ATOM 995 CA VAL A 406 51.182 50.654 40.302 1.00 21.96 C ATOM 996 C VAL A 406 52.270 50.573 41.361 1.00 19.34 C ATOM 997 O VAL A 406 52.448 49.528 41.984 1.00 21.36 O ATOM 998 CB VAL A 406 49.789 50.736 40.952 1.00 19.30 C ATOM 999 CG1 VAL A 406 49.631 52.042 41.715 1.00 17.06 C ATOM 1000 CG2 VAL A 406 48.698 50.587 39.901 1.00 29.89 C ATOM 1001 H VAL A 406 51.058 48.553 39.809 1.00 0.00 H ATOM 1002 N ASP A 407 53.001 51.665 41.571 1.00 24.53 N ATOM 1003 CA ASP A 407 54.051 51.667 42.588 1.00 27.39 C ATOM 1004 C ASP A 407 53.507 52.167 43.928 1.00 31.59 C ATOM 1005 O ASP A 407 52.304 52.375 44.081 1.00 24.42 O ATOM 1006 CB ASP A 407 55.256 52.507 42.139 1.00 32.16 C ATOM 1007 CG ASP A 407 54.952 53.994 42.044 1.00 34.62 C ATOM 1008 OD1 ASP A 407 53.912 54.447 42.564 1.00 35.38 O ATOM 1009 OD2 ASP A 407 55.781 54.718 41.452 1.00 30.25 O ATOM 1010 H ASP A 407 52.824 52.522 41.008 1.00 0.00 H ATOM 1011 N SER A 408 54.403 52.364 44.890 1.00 30.29 N ATOM 1012 CA SER A 408 54.013 52.632 46.271 1.00 34.54 C ATOM 1013 C SER A 408 53.276 53.958 46.464 1.00 39.35 C ATOM 1014 O SER A 408 52.539 54.124 47.438 1.00 38.14 O ATOM 1015 CB SER A 408 55.252 52.605 47.167 1.00 38.13 C ATOM 1016 OG SER A 408 56.217 53.545 46.727 1.00 71.68 O ATOM 1017 HG SER A 408 57.007 53.508 47.322 1.00 0.00 H ATOM 1018 H SER A 408 55.414 52.326 44.651 1.00 0.00 H ATOM 1019 N SER A 409 53.477 54.893 45.557 1.00 40.63 N ATOM 1020 CA SER A 409 52.835 56.200 45.636 1.00 34.49 C ATOM 1021 C SER A 409 51.578 56.297 44.817 1.00 33.35 C ATOM 1022 O SER A 409 50.895 57.271 44.839 1.00 38.75 O ATOM 1023 CB SER A 409 53.797 57.261 45.203 1.00 35.17 C ATOM 1024 OG SER A 409 53.889 57.295 43.834 1.00 49.43 O ATOM 1025 HG SER A 409 54.207 56.417 43.504 1.00 0.00 H ATOM 1026 H SER A 409 54.114 54.692 44.760 1.00 0.00 H ATOM 1027 N GLY A 410 51.281 55.253 44.088 1.00 27.94 N ATOM 1028 CA GLY A 410 50.090 55.216 43.262 1.00 20.00 C ATOM 1029 C GLY A 410 50.342 55.539 41.803 1.00 23.69 C ATOM 1030 O GLY A 410 49.405 55.591 41.006 1.00 24.19 O ATOM 1031 H GLY A 410 51.915 54.429 44.101 1.00 0.00 H ATOM 1032 N ARG A 411 51.553 55.902 41.413 1.00 26.35 N ATOM 1033 CA ARG A 411 51.844 56.182 40.024 1.00 19.60 C ATOM 1034 C ARG A 411 51.890 54.911 39.185 1.00 23.98 C ATOM 1035 O ARG A 411 52.092 53.822 39.709 1.00 23.85 O ATOM 1036 CB ARG A 411 53.143 56.970 39.911 1.00 25.13 C ATOM 1037 CG ARG A 411 53.200 58.117 40.903 1.00 29.44 C ATOM 1038 CD ARG A 411 54.336 59.076 40.625 1.00 35.66 C ATOM 1039 NE ARG A 411 53.901 60.464 40.728 1.00 38.95 N ATOM 1040 CZ ARG A 411 53.456 61.032 41.842 1.00 44.58 C ATOM 1041 NH1 ARG A 411 53.382 60.342 42.968 1.00 36.03 N ATOM 1042 NH2 ARG A 411 53.083 62.300 41.829 1.00 59.86 N ATOM 1043 HE ARG A 411 53.942 61.049 39.869 1.00 0.00 H ATOM 1044 HH12 ARG A 411 53.032 60.797 43.835 1.00 0.00 H ATOM 1045 HH11 ARG A 411 53.674 59.344 42.986 1.00 0.00 H ATOM 1046 HH22 ARG A 411 52.734 62.748 42.700 1.00 0.00 H ATOM 1047 HH21 ARG A 411 53.139 62.849 40.948 1.00 0.00 H ATOM 1048 H ARG A 411 52.311 55.988 42.120 1.00 0.00 H ATOM 1049 N ILE A 412 51.380 55.036 37.971 1.00 19.37 N ATOM 1050 CA ILE A 412 51.327 53.962 36.992 1.00 19.63 C ATOM 1051 C ILE A 412 52.685 53.886 36.309 1.00 27.88 C ATOM 1052 O ILE A 412 53.128 54.851 35.689 1.00 26.85 O ATOM 1053 CB ILE A 412 50.199 54.184 35.973 1.00 18.76 C ATOM 1054 CG1 ILE A 412 48.842 54.160 36.677 1.00 20.81 C ATOM 1055 CG2 ILE A 412 50.245 53.124 34.875 1.00 19.69 C ATOM 1056 CD1 ILE A 412 47.728 54.756 35.856 1.00 23.93 C ATOM 1057 H ILE A 412 50.992 55.962 37.699 1.00 0.00 H ATOM 1058 N VAL A 413 53.350 52.743 36.429 1.00 23.82 N ATOM 1059 CA VAL A 413 54.651 52.563 35.803 1.00 28.11 C ATOM 1060 C VAL A 413 54.583 51.423 34.798 1.00 30.43 C ATOM 1061 O VAL A 413 53.971 50.386 35.055 1.00 27.94 O ATOM 1062 CB VAL A 413 55.753 52.312 36.852 1.00 35.22 C ATOM 1063 CG1 VAL A 413 55.901 53.521 37.763 1.00 41.03 C ATOM 1064 CG2 VAL A 413 55.455 51.062 37.662 1.00 41.64 C ATOM 1065 H VAL A 413 52.934 51.964 36.979 1.00 0.00 H ATOM 1066 N THR A 414 55.214 51.632 33.649 1.00 27.34 N ATOM 1067 CA THR A 414 55.249 50.636 32.587 1.00 34.58 C ATOM 1068 C THR A 414 56.681 50.159 32.390 1.00 34.76 C ATOM 1069 O THR A 414 57.582 50.959 32.137 1.00 40.99 O ATOM 1070 CB THR A 414 54.702 51.197 31.262 1.00 39.82 C ATOM 1071 OG1 THR A 414 53.392 51.738 31.475 1.00 43.39 O ATOM 1072 CG2 THR A 414 54.628 50.103 30.205 1.00 45.65 C ATOM 1073 HG1 THR A 414 53.042 52.098 30.622 1.00 0.00 H ATOM 1074 H THR A 414 55.701 52.539 33.502 1.00 0.00 H ATOM 1075 N ASP A 415 56.886 48.852 32.516 1.00 34.69 N ATOM 1076 CA ASP A 415 58.209 48.268 32.354 1.00 42.31 C ATOM 1077 C ASP A 415 58.466 47.909 30.893 1.00 54.11 C ATOM 1078 O ASP A 415 57.534 47.747 30.105 1.00 59.10 O ATOM 1079 CB ASP A 415 58.358 47.027 33.235 1.00 40.70 C ATOM 1080 CG ASP A 415 58.052 47.308 34.695 1.00 38.65 C ATOM 1081 OD1 ASP A 415 58.874 47.972 35.360 1.00 36.70 O ATOM 1082 OD2 ASP A 415 56.991 46.860 35.179 1.00 37.61 O ATOM 1083 OXT ASP A 415 59.614 47.774 30.467 1.00 56.79 O ATOM 1084 H ASP A 415 56.081 48.231 32.736 1.00 0.00 H TER 1085 ASP A 415 HETATM 1086 O HOH 1 40.563 50.019 42.399 1.00 42.17 O HETATM 1087 O HOH 2 36.306 59.539 18.630 1.00 44.23 O HETATM 1088 O HOH 3 26.352 67.452 20.270 1.00 48.32 O HETATM 1089 O HOH 4 50.641 60.835 37.657 1.00 38.57 O HETATM 1090 O HOH 5 43.653 62.188 22.638 1.00 20.00 O HETATM 1091 O HOH 6 37.438 48.246 36.230 1.00 37.32 O HETATM 1092 O HOH 7 45.244 74.930 34.305 1.00 34.49 O HETATM 1093 O HOH 8 27.512 51.048 23.192 1.00 34.43 O HETATM 1094 O HOH 9 29.044 48.652 30.064 1.00 41.81 O HETATM 1095 O HOH 10 25.588 53.890 36.227 1.00 31.52 O HETATM 1096 O HOH 11 22.624 54.575 21.521 1.00 21.94 O HETATM 1097 O HOH 12 29.624 79.841 21.673 1.00 32.08 O HETATM 1098 O HOH 13 24.131 57.260 32.296 1.00 26.98 O HETATM 1099 O HOH 14 32.217 51.238 37.170 1.00 45.17 O HETATM 1100 O HOH 15 44.785 67.570 26.340 1.00 14.73 O HETATM 1101 O HOH 16 35.269 53.249 44.322 1.00 34.59 O HETATM 1102 O HOH 17 49.201 45.435 32.898 1.00 31.27 O HETATM 1103 O HOH 18 33.389 55.104 34.159 1.00 16.45 O HETATM 1104 O HOH 19 29.404 61.776 39.316 1.00 40.84 O HETATM 1105 O HOH 20 38.342 72.461 37.050 1.00 31.35 O HETATM 1106 O HOH 21 54.481 47.880 41.522 1.00 22.39 O HETATM 1107 O HOH 22 36.113 76.402 19.636 1.00 34.05 O HETATM 1108 O HOH 23 35.970 64.022 46.964 1.00 36.62 O HETATM 1109 O HOH 24 52.922 54.143 29.481 1.00 38.14 O HETATM 1110 O HOH 25 48.616 49.637 44.374 1.00 31.11 O HETATM 1111 O HOH 26 49.038 63.598 48.645 1.00 43.35 O HETATM 1112 O HOH 27 55.588 44.790 34.215 1.00 38.47 O HETATM 1113 O HOH 28 40.496 69.287 18.274 1.00 50.75 O HETATM 1114 O HOH 29 29.191 68.814 39.609 1.00 39.83 O HETATM 1115 O HOH 30 47.448 57.063 45.403 1.00 32.90 O HETATM 1116 O HOH 31 56.546 53.954 33.246 1.00 32.25 O HETATM 1117 O HOH 32 45.493 67.352 33.058 1.00 28.35 O HETATM 1118 O HOH 33 41.049 60.794 42.562 1.00 15.32 O HETATM 1119 O HOH 34 51.579 51.062 26.394 1.00 16.35 O HETATM 1120 O HOH 35 45.355 42.571 31.922 1.00 38.45 O HETATM 1121 O HOH 36 26.731 64.709 27.011 1.00 33.58 O HETATM 1122 O HOH 37 30.255 72.542 19.785 1.00 23.36 O HETATM 1123 O HOH 38 29.135 71.893 32.428 1.00 33.57 O HETATM 1124 O HOH 39 44.121 73.519 23.711 1.00 28.22 O HETATM 1125 O HOH 40 26.439 52.768 21.069 1.00 34.02 O HETATM 1126 O HOH 41 40.068 55.920 43.840 1.00 18.48 O HETATM 1127 O HOH 42 50.247 51.446 45.663 1.00 39.97 O HETATM 1128 O HOH 43 50.083 44.990 37.189 1.00 47.99 O HETATM 1129 O HOH 44 30.020 69.196 22.314 1.00 24.18 O HETATM 1130 O HOH 45 27.839 72.151 28.534 1.00 44.75 O HETATM 1131 O HOH 46 44.864 73.985 36.997 1.00 41.68 O HETATM 1132 O HOH 47 31.539 50.805 32.238 1.00 27.67 O HETATM 1133 O HOH 48 48.228 74.412 23.388 1.00 41.81 O HETATM 1134 O HOH 49 43.876 62.722 41.982 1.00 23.12 O HETATM 1135 O HOH 50 50.354 57.746 37.395 1.00 27.82 O HETATM 1136 O HOH 51 39.824 69.320 40.127 1.00 26.70 O HETATM 1137 O HOH 52 29.531 65.441 35.871 1.00 20.44 O HETATM 1138 O HOH 53 54.981 43.868 25.743 1.00 37.85 O HETATM 1139 O HOH 54 53.187 48.743 27.205 1.00 28.73 O HETATM 1140 O HOH 55 27.026 79.188 23.283 1.00 42.98 O HETATM 1141 O HOH 56 43.506 59.766 48.730 1.00 30.25 O HETATM 1142 O HOH 57 42.125 55.903 19.764 1.00 33.07 O HETATM 1143 O HOH 58 50.278 47.019 40.407 1.00 25.06 O HETATM 1144 O HOH 59 44.489 62.041 39.220 1.00 27.14 O HETATM 1145 O HOH 60 41.508 67.012 39.799 1.00 29.00 O HETATM 1146 O HOH 61 50.642 72.300 28.308 1.00 35.11 O HETATM 1147 O HOH 62 25.821 58.823 25.286 1.00 25.04 O HETATM 1148 O HOH 63 30.078 73.128 36.392 1.00 41.26 O HETATM 1149 O HOH 64 52.104 68.932 28.510 1.00 29.74 O HETATM 1150 O HOH 65 26.679 54.519 33.797 1.00 26.52 O HETATM 1151 O HOH 66 40.947 74.904 27.009 1.00 40.64 O HETATM 1152 O HOH 67 49.178 58.612 35.782 1.00 34.30 O HETATM 1153 O HOH 68 48.935 61.185 32.719 1.00 28.39 O HETATM 1154 O HOH 69 31.145 50.533 22.967 1.00 31.98 O HETATM 1155 O HOH 70 23.606 51.420 33.137 1.00 48.62 O HETATM 1156 O HOH 71 27.600 74.311 24.476 1.00 37.84 O HETATM 1157 O HOH 72 46.118 58.527 48.213 1.00 51.83 O HETATM 1158 O HOH 73 34.613 77.139 26.286 1.00 42.06 O HETATM 1159 O HOH 74 40.952 73.762 30.061 1.00 35.73 O HETATM 1160 O HOH 75 58.422 53.322 40.770 1.00 46.61 O HETATM 1161 O HOH 76 51.813 61.463 50.653 1.00 37.82 O HETATM 1162 O HOH 77 41.398 53.913 45.125 1.00 24.87 O HETATM 1163 O HOH 78 58.640 50.580 41.520 1.00 62.46 O HETATM 1164 O HOH 79 49.078 64.715 42.679 1.00 37.78 O HETATM 1165 O HOH 80 25.330 67.589 28.739 1.00 41.73 O HETATM 1166 O HOH 81 28.961 58.859 39.025 1.00 36.28 O HETATM 1167 O HOH 82 45.329 64.789 38.575 1.00 35.49 O HETATM 1168 O HOH 83 47.870 70.466 20.844 1.00 35.66 O HETATM 1169 O HOH 84 31.063 71.417 22.160 1.00 32.93 O HETATM 1170 O HOH 85 26.579 58.143 40.007 1.00 37.56 O HETATM 1171 O HOH 86 43.733 66.668 39.944 1.00 34.71 O HETATM 1172 O HOH 87 55.459 46.874 26.279 1.00 36.93 O HETATM 1173 O HOH 88 51.606 47.514 44.427 1.00 43.85 O HETATM 1174 O HOH 89 47.032 72.522 37.436 1.00 33.50 O HETATM 1175 O HOH 90 47.135 66.293 36.854 1.00 41.35 O HETATM 1176 O HOH 91 45.481 77.071 31.165 1.00 37.79 O HETATM 1177 O HOH 92 57.207 42.532 26.837 1.00 33.69 O HETATM 1178 O HOH 93 48.804 53.867 46.685 1.00 46.21 O HETATM 1179 O HOH 94 33.817 79.015 22.096 1.00 38.32 O HETATM 1180 O HOH 95 49.324 69.457 37.939 1.00 45.58 O HETATM 1181 O HOH 96 24.027 68.880 35.676 1.00 51.38 O HETATM 1182 O HOH 97 40.181 51.481 44.672 1.00 28.60 O HETATM 1183 O HOH 98 56.470 49.693 43.416 1.00 44.11 O HETATM 1184 O HOH 99 26.917 69.080 35.970 1.00 43.51 O HETATM 1185 O HOH 100 28.341 67.095 37.753 1.00 28.12 O HETATM 1186 O HOH 101 28.759 65.916 43.730 1.00 51.28 O HETATM 1187 O HOH 102 41.545 47.576 43.024 1.00 42.00 O HETATM 1188 O HOH 103 55.685 52.877 28.475 1.00 36.57 O HETATM 1189 O HOH 104 44.447 65.133 42.426 1.00 33.13 O HETATM 1190 O HOH 105 28.067 69.219 20.117 1.00 35.64 O HETATM 1191 O HOH 106 30.937 51.602 39.731 1.00 39.30 O HETATM 1192 O HOH 107 49.696 46.834 43.413 1.00 46.48 O HETATM 1193 O HOH 108 46.985 66.167 43.236 1.00 41.13 O HETATM 1194 O HOH 109 41.252 46.163 41.108 1.00 52.77 O HETATM 1195 O HOH 110 59.658 53.708 43.533 1.00 48.06 O HETATM 1196 O HOH 111 48.433 66.104 45.260 1.00 44.54 O HETATM 1197 O HOH 112 29.945 75.536 34.919 1.00 44.93 O HETATM 1198 O HOH 113 26.576 72.743 22.369 1.00 30.90 O HETATM 1199 O HOH 114 42.487 67.603 19.563 1.00 40.60 O HETATM 1200 O HOH 115 24.838 62.048 27.408 1.00 33.34 O HETATM 1201 O HOH 116 29.724 62.026 42.096 1.00 32.61 O HETATM 1202 O HOH 117 28.250 64.006 43.211 1.00 51.93 O HETATM 1203 O HOH 118 36.948 45.641 20.541 1.00 38.71 O HETATM 1204 O HOH 119 41.136 42.522 25.986 1.00 46.78 O HETATM 1205 O HOH 120 41.684 63.674 21.579 1.00 21.38 O HETATM 1206 O HOH 121 38.385 54.761 17.720 1.00 44.39 O HETATM 1207 O HOH 122 37.710 51.011 18.251 1.00 47.88 O HETATM 1208 O HOH 123 38.597 57.905 18.017 1.00 41.19 O HETATM 1209 O HOH 124 38.144 55.903 15.782 1.00 50.40 O HETATM 1210 N ASN A 125 36.293 42.464 22.976 1.00 0.24 N HETATM 1211 CA ASN A 125 36.296 43.488 24.013 1.00 0.08 C HETATM 1212 C ASN A 125 37.237 44.630 23.641 1.00 0.23 C HETATM 1213 O ASN A 125 37.881 44.596 22.593 1.00 -0.39 O HETATM 1214 N ASN A 125 37.238 45.657 24.468 1.00 -0.27 N HETATM 1215 CA ASN A 125 38.137 46.768 24.272 1.00 0.12 C HETATM 1216 C ASN A 125 37.475 47.656 23.250 1.00 0.11 C HETATM 1217 O ASN A 125 37.660 47.450 22.053 1.00 -0.35 O HETATM 1218 H12 ASN A 125 37.419 46.555 21.846 1.00 0.22 H HETATM 1219 N ASN A 125 37.847 48.907 23.375 1.00 0.27 N HETATM 1220 CA ASN A 125 37.709 49.929 22.354 1.00 0.07 C HETATM 1221 C ASN A 125 38.345 51.187 22.927 1.00 0.23 C HETATM 1222 O ASN A 125 38.276 51.418 24.136 1.00 -0.39 O HETATM 1223 N ASN A 125 38.978 51.992 22.080 1.00 -0.26 N HETATM 1224 CA ASN A 125 39.586 53.233 22.549 1.00 0.13 C HETATM 1225 C ASN A 125 39.239 54.390 21.617 1.00 0.20 C HETATM 1226 O ASN A 125 39.427 54.305 20.403 1.00 -0.39 O HETATM 1227 N ASN A 125 38.714 55.462 22.203 1.00 -0.26 N HETATM 1228 CA ASN A 125 38.223 56.606 21.439 1.00 0.14 C HETATM 1229 C ASN A 125 38.947 57.887 21.844 1.00 0.21 C HETATM 1230 O ASN A 125 39.233 58.101 23.020 1.00 -0.39 O HETATM 1231 N ASN A 125 39.234 58.737 20.864 1.00 -0.26 N HETATM 1232 CA ASN A 125 39.754 60.073 21.133 1.00 0.15 C HETATM 1233 C ASN A 125 38.591 61.048 21.268 1.00 0.21 C HETATM 1234 O ASN A 125 37.709 61.087 20.410 1.00 -0.39 O HETATM 1235 N ASN A 125 38.590 61.833 22.342 1.00 -0.27 N HETATM 1236 CA ASN A 125 37.514 62.788 22.586 1.00 0.10 C HETATM 1237 C ASN A 125 38.080 64.193 22.753 1.00 0.06 C HETATM 1238 O ASN A 125 37.332 65.172 22.745 1.00 -0.57 O HETATM 1239 OXT ASN A 125 39.289 64.389 22.896 1.00 -0.57 O HETATM 1240 CB ASN A 125 36.677 62.384 23.818 1.00 -0.01 C HETATM 1241 CG1 ASN A 125 36.049 61.015 23.604 1.00 -0.06 C HETATM 1242 H59 ASN A 125 35.456 60.741 24.489 1.00 0.02 H HETATM 1243 H60 ASN A 125 36.842 60.268 23.448 1.00 0.02 H HETATM 1244 H61 ASN A 125 35.395 61.046 22.720 1.00 0.02 H HETATM 1245 CG2 ASN A 125 37.528 62.393 25.080 1.00 -0.06 C HETATM 1246 H62 ASN A 125 37.972 63.390 25.216 1.00 0.02 H HETATM 1247 H63 ASN A 125 38.329 61.645 24.988 1.00 0.02 H HETATM 1248 H64 ASN A 125 36.898 62.151 25.949 1.00 0.02 H HETATM 1249 H58 ASN A 125 35.869 63.120 23.943 1.00 0.03 H HETATM 1250 H57 ASN A 125 36.850 62.787 21.709 1.00 0.07 H HETATM 1251 H56 ASN A 125 39.343 61.767 22.997 1.00 0.19 H HETATM 1252 CB ASN A 125 40.701 60.526 20.019 1.00 0.08 C HETATM 1253 OG ASN A 125 41.797 59.642 19.886 1.00 -0.39 O HETATM 1254 H55 ASN A 125 42.281 59.615 20.703 1.00 0.21 H HETATM 1255 H53 ASN A 125 41.078 61.532 20.256 1.00 0.06 H HETATM 1256 H54 ASN A 125 40.148 60.557 19.069 1.00 0.06 H HETATM 1257 H52 ASN A 125 40.313 60.051 22.080 1.00 0.08 H HETATM 1258 H51 ASN A 125 39.090 58.453 19.916 1.00 0.19 H HETATM 1259 CB ASN A 125 36.717 56.789 21.642 1.00 0.02 C HETATM 1260 CG ASN A 125 35.888 55.647 21.130 1.00 -0.04 C HETATM 1261 CD1 ASN A 125 35.581 54.575 21.949 1.00 -0.06 C HETATM 1262 CE1 ASN A 125 34.820 53.524 21.481 1.00 -0.07 C HETATM 1263 CZ ASN A 125 34.353 53.537 20.185 1.00 -0.07 C HETATM 1264 CE2 ASN A 125 34.647 54.600 19.359 1.00 -0.07 C HETATM 1265 CD2 ASN A 125 35.409 55.649 19.832 1.00 -0.06 C HETATM 1266 H47 ASN A 125 35.635 56.484 19.179 1.00 0.06 H HETATM 1267 H49 ASN A 125 34.280 54.612 18.339 1.00 0.06 H HETATM 1268 H50 ASN A 125 33.755 52.712 19.816 1.00 0.06 H HETATM 1269 H48 ASN A 125 34.590 52.689 22.132 1.00 0.06 H HETATM 1270 H46 ASN A 125 35.943 54.561 22.971 1.00 0.06 H HETATM 1271 H44 ASN A 125 36.406 57.704 21.117 1.00 0.05 H HETATM 1272 H45 ASN A 125 36.524 56.900 22.719 1.00 0.05 H HETATM 1273 H43 ASN A 125 38.414 56.417 20.372 1.00 0.08 H HETATM 1274 H42 ASN A 125 38.653 55.486 23.201 1.00 0.19 H HETATM 1275 CB ASN A 125 41.105 53.067 22.684 1.00 0.00 C HETATM 1276 CG ASN A 125 41.817 54.310 23.214 1.00 0.04 C HETATM 1277 CD ASN A 125 43.185 54.043 23.850 1.00 0.17 C HETATM 1278 OE1 ASN A 125 43.844 54.978 24.303 1.00 -0.40 O HETATM 1279 NE2 ASN A 125 43.611 52.781 23.893 1.00 -0.30 N HETATM 1280 H40 ASN A 125 44.499 52.567 24.300 1.00 0.18 H HETATM 1281 H41 ASN A 125 43.043 52.048 23.518 1.00 0.18 H HETATM 1282 H38 ASN A 125 41.172 54.777 23.973 1.00 0.05 H HETATM 1283 H39 ASN A 125 41.960 55.007 22.375 1.00 0.05 H HETATM 1284 H36 ASN A 125 41.517 52.828 21.693 1.00 0.03 H HETATM 1285 H37 ASN A 125 41.303 52.234 23.374 1.00 0.03 H HETATM 1286 H35 ASN A 125 39.177 53.462 23.544 1.00 0.08 H HETATM 1287 H34 ASN A 125 39.038 51.745 21.113 1.00 0.19 H HETATM 1288 CB ASN A 125 36.241 50.176 21.997 1.00 0.01 C HETATM 1289 CG ASN A 125 35.411 48.913 21.799 1.00 -0.04 C HETATM 1290 CD ASN A 125 33.941 49.235 21.562 1.00 -0.01 C HETATM 1291 CE ASN A 125 33.713 49.890 20.209 1.00 -0.04 C HETATM 1292 NZ ASN A 125 32.274 50.203 19.981 1.00 0.22 N HETATM 1293 H31 ASN A 125 32.163 50.635 19.077 1.00 0.20 H HETATM 1294 H32 ASN A 125 31.950 50.834 20.697 1.00 0.20 H HETATM 1295 H33 ASN A 125 31.735 49.352 20.015 1.00 0.20 H HETATM 1296 H29 ASN A 125 34.058 49.206 19.420 1.00 0.08 H HETATM 1297 H30 ASN A 125 34.292 50.824 20.163 1.00 0.08 H HETATM 1298 H27 ASN A 125 33.596 49.919 22.351 1.00 0.03 H HETATM 1299 H28 ASN A 125 33.361 48.301 21.607 1.00 0.03 H HETATM 1300 H25 ASN A 125 35.498 48.285 22.698 1.00 0.03 H HETATM 1301 H26 ASN A 125 35.800 48.364 20.929 1.00 0.03 H HETATM 1302 H23 ASN A 125 36.209 50.757 21.063 1.00 0.03 H HETATM 1303 H24 ASN A 125 35.785 50.761 22.809 1.00 0.03 H HETATM 1304 H22 ASN A 125 38.246 49.620 21.445 1.00 0.11 H HETATM 1305 H20 ASN A 125 38.832 48.873 23.588 1.00 0.21 H HETATM 1306 H21 ASN A 125 37.342 49.258 24.174 1.00 0.21 H HETATM 1307 H11 ASN A 125 36.394 47.578 23.439 1.00 0.12 H HETATM 1308 CB ASN A 125 39.483 46.282 23.764 1.00 0.01 C HETATM 1309 CG ASN A 125 40.509 47.366 23.635 1.00 -0.05 C HETATM 1310 CD1 ASN A 125 40.737 48.255 24.667 1.00 -0.07 C HETATM 1311 CE1 ASN A 125 41.682 49.251 24.554 1.00 -0.04 C HETATM 1312 CZ ASN A 125 42.409 49.362 23.397 1.00 0.08 C HETATM 1313 CE2 ASN A 125 42.198 48.492 22.355 1.00 -0.04 C HETATM 1314 CD2 ASN A 125 41.252 47.500 22.481 1.00 -0.07 C HETATM 1315 H16 ASN A 125 41.088 46.812 21.659 1.00 0.05 H HETATM 1316 H18 ASN A 125 42.772 48.586 21.440 1.00 0.05 H HETATM 1317 OH ASN A 125 43.338 50.348 23.281 1.00 -0.34 O HETATM 1318 H19 ASN A 125 43.359 50.857 24.083 1.00 0.25 H HETATM 1319 H17 ASN A 125 41.849 49.941 25.373 1.00 0.05 H HETATM 1320 H15 ASN A 125 40.162 48.167 25.582 1.00 0.05 H HETATM 1321 H13 ASN A 125 39.336 45.825 22.774 1.00 0.04 H HETATM 1322 H14 ASN A 125 39.865 45.525 24.465 1.00 0.04 H HETATM 1323 H10 ASN A 125 38.280 47.314 25.216 1.00 0.07 H HETATM 1324 H9 ASN A 125 36.606 45.666 25.243 1.00 0.19 H HETATM 1325 CB ASN A 125 36.705 42.884 25.360 1.00 0.10 C HETATM 1326 CG ASN A 125 38.128 42.358 25.357 1.00 0.18 C HETATM 1327 OD1 ASN A 125 38.712 42.115 24.300 1.00 -0.40 O HETATM 1328 ND2 ASN A 125 38.693 42.174 26.545 1.00 -0.30 N HETATM 1329 H7 ASN A 125 39.630 41.829 26.605 1.00 0.18 H HETATM 1330 H8 ASN A 125 38.182 42.380 27.379 1.00 0.18 H HETATM 1331 H5 ASN A 125 36.023 42.053 25.595 1.00 0.06 H HETATM 1332 H6 ASN A 125 36.618 43.660 26.135 1.00 0.06 H HETATM 1333 H4 ASN A 125 35.277 43.892 24.106 1.00 0.11 H HETATM 1334 H1 ASN A 125 35.666 41.720 23.240 1.00 0.20 H HETATM 1335 H2 ASN A 125 37.225 42.095 22.865 1.00 0.20 H HETATM 1336 H3 ASN A 125 35.986 42.868 22.105 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1210 1211 1334 1335 1336 CONECT 1211 1210 1212 1325 1333 CONECT 1212 1211 1213 1214 CONECT 1213 1212 CONECT 1214 1212 1215 1324 CONECT 1215 1214 1216 1308 1323 CONECT 1216 1215 1217 1219 1307 CONECT 1217 1216 1218 CONECT 1218 1217 CONECT 1219 1216 1220 1305 1306 CONECT 1220 1219 1221 1288 1304 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1287 CONECT 1224 1223 1225 1275 1286 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1274 CONECT 1228 1227 1229 1259 1273 CONECT 1229 1228 1230 1231 CONECT 1230 1229 CONECT 1231 1229 1232 1258 CONECT 1232 1231 1233 1252 1257 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 1236 1251 CONECT 1236 1235 1237 1240 1250 CONECT 1237 1236 1238 1239 CONECT 1238 1237 CONECT 1239 1237 CONECT 1240 1236 1241 1245 1249 CONECT 1241 1240 1242 1243 1244 CONECT 1242 1241 CONECT 1243 1241 CONECT 1244 1241 CONECT 1245 1240 1246 1247 1248 CONECT 1246 1245 CONECT 1247 1245 CONECT 1248 1245 CONECT 1249 1240 CONECT 1250 1236 CONECT 1251 1235 CONECT 1252 1232 1253 1255 1256 CONECT 1253 1252 1254 CONECT 1254 1253 CONECT 1255 1252 CONECT 1256 1252 CONECT 1257 1232 CONECT 1258 1231 CONECT 1259 1228 1260 1271 1272 CONECT 1260 1259 1261 1265 CONECT 1261 1260 1262 1270 CONECT 1262 1261 1263 1269 CONECT 1263 1262 1264 1268 CONECT 1264 1263 1265 1267 CONECT 1265 1260 1264 1266 CONECT 1266 1265 CONECT 1267 1264 CONECT 1268 1263 CONECT 1269 1262 CONECT 1270 1261 CONECT 1271 1259 CONECT 1272 1259 CONECT 1273 1228 CONECT 1274 1227 CONECT 1275 1224 1276 1284 1285 CONECT 1276 1275 1277 1282 1283 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1281 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1276 CONECT 1283 1276 CONECT 1284 1275 CONECT 1285 1275 CONECT 1286 1224 CONECT 1287 1223 CONECT 1288 1220 1289 1302 1303 CONECT 1289 1288 1290 1300 1301 CONECT 1290 1289 1291 1298 1299 CONECT 1291 1290 1292 1296 1297 CONECT 1292 1291 1293 1294 1295 CONECT 1293 1292 CONECT 1294 1292 CONECT 1295 1292 CONECT 1296 1291 CONECT 1297 1291 CONECT 1298 1290 CONECT 1299 1290 CONECT 1300 1289 CONECT 1301 1289 CONECT 1302 1288 CONECT 1303 1288 CONECT 1304 1220 CONECT 1305 1219 CONECT 1306 1219 CONECT 1307 1216 CONECT 1308 1215 1309 1321 1322 CONECT 1309 1308 1310 1314 CONECT 1310 1309 1311 1320 CONECT 1311 1310 1312 1319 CONECT 1312 1311 1313 1317 CONECT 1313 1312 1314 1316 CONECT 1314 1309 1313 1315 CONECT 1315 1314 CONECT 1316 1313 CONECT 1317 1312 1318 CONECT 1318 1317 CONECT 1319 1311 CONECT 1320 1310 CONECT 1321 1308 CONECT 1322 1308 CONECT 1323 1215 CONECT 1324 1214 CONECT 1325 1211 1326 1331 1332 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 1329 1330 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1325 CONECT 1332 1325 CONECT 1333 1211 CONECT 1334 1210 CONECT 1335 1210 CONECT 1336 1210 MASTER 0 0 0 0 0 0 0 0 1335 1 130 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
119aa, >5HEB_1|Chain... *
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119aa, >5HED_1|Chain... at 100%
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5hf1
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5hfb
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5hff
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PDBbind
119aa, >5HFF_1|Chain... at 98%
Complexes with the same small molecule ligand
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Ligand Name
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PDBbind
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9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5hfc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95 (H372A mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=1.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell(Cambridge,Mass.) Vol. 166: pp. 1-13
Ligand Properties
Formula
C
4
1
H
6
5
N
1
0
O
1
2
Molecular Weight
890.015
Exact Mass
889.478
No. of atoms
128
No. of bonds
129
Polar Surface Area
401.56
LOGP Value
-4.08 (
Computed with XLOGP3
)
-2.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)Cc1ccccc1)CCC(=O)N)[NH2+][C@H]([C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])Cc1ccc(cc1)O)O
InChI String
InChI=1S/C41H62N10O12/c1-22(2)34(41(62)63)51-40(61)31(21-52)50-39(60)30(18-23-8-4-3-5-9-23)49-37(58)28(15-16-32(44)54)47-36(57)27(10-6-7-17-42)46-38(59)29(19-24-11-13-25(53)14-12-24)48-35(56)26(43)20-33(45)55/h3-5,8-9,11-14,22,26-31,34,38,46,52-53,59H,6-7,10,15-21,42-43H2,1-2H3,(H2,44,54)(H2,45,55)(H,47,57)(H,48,56)(H,49,58)(H,50,60)(H,51,61)(H,62,63)/p+3/t26-,27-,28-,29-,30-,31-,34-,38-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q792Q4
P31016
Entrez Gene ID
NCBI Entrez Gene ID:
56725
29495
ASD
Information of known allosteric effects of PDB entries
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