Browse entries in the PDBbind-CN Database
HEADER 5HED_COMPLEX COMPND 5HED_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 118 SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG GLU SEQRES 2 A 118 PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY LEU SEQRES 3 A 118 GLY PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY ILE SEQRES 4 A 118 PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP LEU SEQRES 5 A 118 SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER VAL SEQRES 6 A 118 ASN GLY VAL ASP LEU ARG ASN ALA SER HIS GLU GLN ALA SEQRES 7 A 118 ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR ILE SEQRES 8 A 118 ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE GLU SEQRES 9 A 118 ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL THR SEQRES 10 A 118 ASP HET LYS A 271 134 ATOM 1 N SER A 298 68.162 68.591 49.939 1.00 73.55 N ATOM 2 CA SER A 298 66.952 69.068 50.573 1.00 70.72 C ATOM 3 C SER A 298 65.743 69.314 49.627 1.00 61.64 C ATOM 4 O SER A 298 64.823 69.972 50.064 1.00 59.32 O ATOM 5 CB SER A 298 67.256 70.409 51.237 1.00 70.90 C ATOM 6 OG SER A 298 67.183 71.499 50.287 1.00 64.78 O ATOM 7 HG SER A 298 66.272 71.539 49.901 1.00 0.00 H ATOM 8 HN3 SER A 298 68.481 69.287 49.235 1.00 0.00 H ATOM 9 HN2 SER A 298 67.971 67.683 49.469 1.00 0.00 H ATOM 10 HN1 SER A 298 68.901 68.461 50.659 1.00 0.00 H ATOM 11 N PRO A 299 65.823 68.832 48.309 1.00 53.25 N ATOM 12 CA PRO A 299 64.620 69.141 47.514 1.00 55.22 C ATOM 13 C PRO A 299 63.413 68.403 48.001 1.00 44.16 C ATOM 14 O PRO A 299 63.586 67.439 48.706 1.00 41.08 O ATOM 15 CB PRO A 299 64.965 68.743 46.106 1.00 56.91 C ATOM 16 CG PRO A 299 65.998 67.721 46.198 1.00 59.77 C ATOM 17 CD PRO A 299 66.801 68.087 47.378 1.00 58.84 C ATOM 18 N GLU A 300 62.218 68.895 47.672 1.00 33.81 N ATOM 19 CA GLU A 300 60.966 68.222 48.028 1.00 32.43 C ATOM 20 C GLU A 300 60.229 67.714 46.791 1.00 38.74 C ATOM 21 O GLU A 300 59.494 68.467 46.149 1.00 25.51 O ATOM 22 CB GLU A 300 60.062 69.171 48.815 1.00 31.93 C ATOM 23 CG GLU A 300 58.688 68.608 49.121 1.00 35.35 C ATOM 24 CD GLU A 300 58.054 69.312 50.303 1.00 47.54 C ATOM 25 OE1 GLU A 300 58.575 69.160 51.433 1.00 61.54 O ATOM 26 OE2 GLU A 300 57.056 70.032 50.100 1.00 29.54 O ATOM 27 H GLU A 300 62.173 69.789 47.143 1.00 0.00 H ATOM 28 N PHE A 301 60.404 66.427 46.483 1.00 33.20 N ATOM 29 CA PHE A 301 59.901 65.849 45.239 1.00 29.73 C ATOM 30 C PHE A 301 58.441 65.439 45.376 1.00 43.91 C ATOM 31 O PHE A 301 58.025 64.893 46.402 1.00 55.97 O ATOM 32 CB PHE A 301 60.750 64.639 44.812 1.00 29.22 C ATOM 33 CG PHE A 301 62.185 64.975 44.548 1.00 33.26 C ATOM 34 CD1 PHE A 301 62.521 65.839 43.520 1.00 33.67 C ATOM 35 CD2 PHE A 301 63.205 64.437 45.328 1.00 41.31 C ATOM 36 CE1 PHE A 301 63.850 66.169 43.268 1.00 35.88 C ATOM 37 CE2 PHE A 301 64.541 64.756 45.077 1.00 43.78 C ATOM 38 CZ PHE A 301 64.865 65.630 44.048 1.00 38.56 C ATOM 39 H PHE A 301 60.915 65.815 47.151 1.00 0.00 H ATOM 40 N LEU A 302 57.668 65.720 44.330 1.00 32.82 N ATOM 41 CA LEU A 302 56.249 65.409 44.321 1.00 30.09 C ATOM 42 C LEU A 302 56.060 63.929 44.122 1.00 31.17 C ATOM 43 O LEU A 302 55.074 63.361 44.579 1.00 29.59 O ATOM 44 CB LEU A 302 55.535 66.196 43.232 1.00 38.86 C ATOM 45 CG LEU A 302 55.193 67.639 43.613 1.00 35.04 C ATOM 46 CD1 LEU A 302 56.307 68.288 44.373 1.00 46.21 C ATOM 47 CD2 LEU A 302 54.875 68.432 42.377 1.00 45.67 C ATOM 48 H LEU A 302 58.091 66.175 43.496 1.00 0.00 H ATOM 49 N GLY A 303 57.052 63.303 43.494 1.00 29.87 N ATOM 50 CA GLY A 303 56.908 61.958 42.975 1.00 45.46 C ATOM 51 C GLY A 303 56.753 60.906 44.045 1.00 35.67 C ATOM 52 O GLY A 303 56.433 59.756 43.740 1.00 48.09 O ATOM 53 H GLY A 303 57.960 63.795 43.372 1.00 0.00 H ATOM 54 N GLU A 304 56.977 61.292 45.296 1.00 37.41 N ATOM 55 CA GLU A 304 56.818 60.354 46.396 1.00 41.90 C ATOM 56 C GLU A 304 55.537 60.613 47.179 1.00 39.50 C ATOM 57 O GLU A 304 55.225 59.883 48.118 1.00 50.94 O ATOM 58 CB GLU A 304 58.034 60.395 47.337 1.00 60.98 C ATOM 59 CG GLU A 304 58.708 61.757 47.532 1.00 64.02 C ATOM 60 CD GLU A 304 60.095 61.629 48.167 1.00 68.50 C ATOM 61 OE1 GLU A 304 60.199 61.122 49.307 1.00 65.90 O ATOM 62 OE2 GLU A 304 61.087 62.023 47.514 1.00 70.51 O ATOM 63 H GLU A 304 57.268 62.271 45.490 1.00 0.00 H ATOM 64 N GLU A 305 54.772 61.627 46.784 1.00 24.83 N ATOM 65 CA GLU A 305 53.531 61.908 47.486 1.00 20.78 C ATOM 66 C GLU A 305 52.412 61.094 46.868 1.00 16.72 C ATOM 67 O GLU A 305 52.309 60.972 45.654 1.00 16.69 O ATOM 68 CB GLU A 305 53.212 63.408 47.445 1.00 18.16 C ATOM 69 CG GLU A 305 54.237 64.179 48.217 1.00 19.91 C ATOM 70 CD GLU A 305 54.169 65.668 48.013 1.00 31.18 C ATOM 71 OE1 GLU A 305 53.243 66.131 47.310 1.00 27.20 O ATOM 72 OE2 GLU A 305 55.065 66.358 48.559 1.00 29.79 O ATOM 73 H GLU A 305 55.061 62.216 45.977 1.00 0.00 H ATOM 74 N ASP A 306 51.553 60.531 47.705 1.00 16.72 N ATOM 75 CA ASP A 306 50.438 59.746 47.175 1.00 16.88 C ATOM 76 C ASP A 306 49.547 60.581 46.271 1.00 16.09 C ATOM 77 O ASP A 306 49.199 61.724 46.599 1.00 18.26 O ATOM 78 CB ASP A 306 49.606 59.161 48.320 1.00 20.46 C ATOM 79 CG ASP A 306 50.381 58.151 49.155 1.00 36.87 C ATOM 80 OD1 ASP A 306 51.378 57.584 48.662 1.00 26.84 O ATOM 81 OD2 ASP A 306 49.989 57.923 50.318 1.00 47.57 O ATOM 82 H ASP A 306 51.671 60.646 48.732 1.00 0.00 H ATOM 83 N ILE A 307 49.170 60.013 45.133 1.00 16.22 N ATOM 84 CA ILE A 307 48.156 60.626 44.285 1.00 12.89 C ATOM 85 C ILE A 307 46.782 60.494 44.981 1.00 17.23 C ATOM 86 O ILE A 307 46.407 59.406 45.384 1.00 12.90 O ATOM 87 CB ILE A 307 48.158 59.994 42.921 1.00 13.78 C ATOM 88 CG1 ILE A 307 49.505 60.242 42.226 1.00 19.92 C ATOM 89 CG2 ILE A 307 47.023 60.545 42.096 1.00 10.08 C ATOM 90 CD1 ILE A 307 49.647 59.545 40.927 1.00 21.26 C ATOM 91 H ILE A 307 49.606 59.115 44.841 1.00 0.00 H ATOM 92 N PRO A 308 46.029 61.603 45.127 1.00 11.53 N ATOM 93 CA PRO A 308 44.705 61.550 45.773 1.00 12.85 C ATOM 94 C PRO A 308 43.721 60.595 45.110 1.00 11.86 C ATOM 95 O PRO A 308 43.623 60.584 43.885 1.00 9.82 O ATOM 96 CB PRO A 308 44.207 62.982 45.660 1.00 12.44 C ATOM 97 CG PRO A 308 45.509 63.796 45.724 1.00 14.86 C ATOM 98 CD PRO A 308 46.435 63.000 44.867 1.00 16.47 C ATOM 99 N ARG A 309 43.007 59.816 45.925 1.00 10.93 N ATOM 100 CA ARG A 309 42.104 58.797 45.390 1.00 10.39 C ATOM 101 C ARG A 309 40.635 59.156 45.553 1.00 10.21 C ATOM 102 O ARG A 309 39.763 58.415 45.129 1.00 10.24 O ATOM 103 CB ARG A 309 42.419 57.440 46.047 1.00 11.93 C ATOM 104 CG ARG A 309 43.607 56.740 45.306 1.00 12.61 C ATOM 105 CD ARG A 309 44.123 55.597 46.084 1.00 19.54 C ATOM 106 NE ARG A 309 45.337 55.030 45.503 1.00 20.50 N ATOM 107 CZ ARG A 309 45.349 54.032 44.623 1.00 16.24 C ATOM 108 NH1 ARG A 309 44.205 53.478 44.212 1.00 12.09 N ATOM 109 NH2 ARG A 309 46.511 53.546 44.199 1.00 14.50 N ATOM 110 HE ARG A 309 46.250 55.432 45.796 1.00 0.00 H ATOM 111 HH12 ARG A 309 44.223 52.698 43.524 1.00 0.00 H ATOM 112 HH11 ARG A 309 43.297 53.826 44.580 1.00 0.00 H ATOM 113 HH22 ARG A 309 46.529 52.766 43.511 1.00 0.00 H ATOM 114 HH21 ARG A 309 47.403 53.946 44.555 1.00 0.00 H ATOM 115 H ARG A 309 43.094 59.935 46.955 1.00 0.00 H ATOM 116 N GLU A 310 40.352 60.313 46.138 1.00 11.23 N ATOM 117 CA GLU A 310 38.968 60.758 46.286 1.00 10.56 C ATOM 118 C GLU A 310 38.500 61.466 45.021 1.00 12.44 C ATOM 119 O GLU A 310 39.310 62.080 44.323 1.00 9.46 O ATOM 120 CB GLU A 310 38.828 61.690 47.485 1.00 15.16 C ATOM 121 CG GLU A 310 39.843 62.828 47.511 1.00 18.74 C ATOM 122 CD GLU A 310 40.920 62.613 48.564 1.00 31.42 C ATOM 123 OE1 GLU A 310 41.920 61.917 48.276 1.00 24.92 O ATOM 124 OE2 GLU A 310 40.762 63.139 49.687 1.00 38.76 O ATOM 125 H GLU A 310 41.125 60.910 46.496 1.00 0.00 H ATOM 126 N PRO A 311 37.187 61.415 44.737 1.00 9.65 N ATOM 127 CA PRO A 311 36.667 62.017 43.507 1.00 9.07 C ATOM 128 C PRO A 311 36.898 63.526 43.479 1.00 9.28 C ATOM 129 O PRO A 311 36.885 64.184 44.545 1.00 10.05 O ATOM 130 CB PRO A 311 35.157 61.721 43.560 1.00 10.51 C ATOM 131 CG PRO A 311 34.986 60.752 44.632 1.00 14.66 C ATOM 132 CD PRO A 311 36.102 60.897 45.580 1.00 13.11 C ATOM 133 N ARG A 312 37.098 64.047 42.280 1.00 8.77 N ATOM 134 CA ARG A 312 37.333 65.465 42.057 1.00 10.94 C ATOM 135 C ARG A 312 36.398 65.965 40.977 1.00 8.81 C ATOM 136 O ARG A 312 35.998 65.206 40.100 1.00 9.48 O ATOM 137 CB ARG A 312 38.775 65.733 41.610 1.00 10.94 C ATOM 138 CG ARG A 312 39.832 65.155 42.514 1.00 10.75 C ATOM 139 CD ARG A 312 40.540 63.973 41.915 1.00 9.99 C ATOM 140 NE ARG A 312 41.065 64.305 40.596 1.00 8.28 N ATOM 141 CZ ARG A 312 41.353 63.409 39.667 1.00 7.62 C ATOM 142 NH1 ARG A 312 41.191 62.124 39.924 1.00 9.95 N ATOM 143 NH2 ARG A 312 41.816 63.806 38.480 1.00 9.07 N ATOM 144 HE ARG A 312 41.223 65.308 40.372 1.00 0.00 H ATOM 145 HH12 ARG A 312 41.416 61.416 39.196 1.00 0.00 H ATOM 146 HH11 ARG A 312 40.838 61.820 40.854 1.00 0.00 H ATOM 147 HH22 ARG A 312 42.043 63.102 37.749 1.00 0.00 H ATOM 148 HH21 ARG A 312 41.950 64.819 38.286 1.00 0.00 H ATOM 149 H ARG A 312 37.087 63.412 41.457 1.00 0.00 H ATOM 150 N ARG A 313 36.095 67.250 41.056 1.00 9.36 N ATOM 151 CA ARG A 313 35.375 67.940 39.998 1.00 9.37 C ATOM 152 C ARG A 313 36.370 68.706 39.129 1.00 10.99 C ATOM 153 O ARG A 313 37.142 69.513 39.642 1.00 11.50 O ATOM 154 CB ARG A 313 34.337 68.900 40.569 1.00 10.94 C ATOM 155 CG ARG A 313 33.557 69.626 39.467 1.00 14.90 C ATOM 156 CD ARG A 313 32.504 70.588 39.974 1.00 15.46 C ATOM 157 NE ARG A 313 31.581 69.952 40.896 1.00 19.65 N ATOM 158 CZ ARG A 313 31.658 70.038 42.224 1.00 33.56 C ATOM 159 NH1 ARG A 313 32.627 70.732 42.816 1.00 28.20 N ATOM 160 NH2 ARG A 313 30.749 69.423 42.968 1.00 26.09 N ATOM 161 HE ARG A 313 30.805 69.390 40.492 1.00 0.00 H ATOM 162 HH12 ARG A 313 32.668 70.786 43.854 1.00 0.00 H ATOM 163 HH11 ARG A 313 33.343 71.220 42.241 1.00 0.00 H ATOM 164 HH22 ARG A 313 30.799 69.483 44.005 1.00 0.00 H ATOM 165 HH21 ARG A 313 29.986 68.881 42.514 1.00 0.00 H ATOM 166 H ARG A 313 36.381 67.784 41.902 1.00 0.00 H ATOM 167 N ILE A 314 36.286 68.495 37.818 1.00 10.42 N ATOM 168 CA ILE A 314 37.128 69.180 36.827 1.00 9.44 C ATOM 169 C ILE A 314 36.216 69.891 35.855 1.00 10.70 C ATOM 170 O ILE A 314 35.361 69.253 35.248 1.00 11.09 O ATOM 171 CB ILE A 314 38.032 68.205 36.085 1.00 10.20 C ATOM 172 CG1 ILE A 314 39.039 67.506 37.010 1.00 11.95 C ATOM 173 CG2 ILE A 314 38.823 68.947 35.028 1.00 12.60 C ATOM 174 CD1 ILE A 314 38.520 66.226 37.636 1.00 13.96 C ATOM 175 H ILE A 314 35.585 67.807 37.475 1.00 0.00 H ATOM 176 N VAL A 315 36.384 71.202 35.676 1.00 13.11 N ATOM 177 CA VAL A 315 35.580 71.913 34.684 1.00 13.84 C ATOM 178 C VAL A 315 36.497 72.374 33.552 1.00 14.33 C ATOM 179 O VAL A 315 37.448 73.090 33.787 1.00 14.97 O ATOM 180 CB VAL A 315 34.830 73.089 35.299 1.00 18.64 C ATOM 181 CG1 VAL A 315 33.962 73.755 34.224 1.00 18.74 C ATOM 182 CG2 VAL A 315 33.984 72.617 36.457 1.00 24.79 C ATOM 183 H VAL A 315 37.087 71.718 36.242 1.00 0.00 H ATOM 184 N ILE A 316 36.242 71.868 32.351 1.00 14.12 N ATOM 185 CA ILE A 316 37.021 72.213 31.164 1.00 13.48 C ATOM 186 C ILE A 316 36.186 73.062 30.247 1.00 13.23 C ATOM 187 O ILE A 316 35.086 72.689 29.900 1.00 15.77 O ATOM 188 CB ILE A 316 37.486 70.960 30.451 1.00 14.56 C ATOM 189 CG1 ILE A 316 38.472 70.199 31.328 1.00 18.94 C ATOM 190 CG2 ILE A 316 38.146 71.284 29.094 1.00 15.21 C ATOM 191 CD1 ILE A 316 38.756 68.840 30.823 1.00 23.64 C ATOM 192 H ILE A 316 35.454 71.197 32.251 1.00 0.00 H ATOM 193 N HIS A 317 36.746 74.202 29.832 1.00 16.23 N ATOM 194 CA HIS A 317 36.080 75.085 28.898 1.00 12.60 C ATOM 195 C HIS A 317 36.796 74.951 27.563 1.00 18.22 C ATOM 196 O HIS A 317 37.936 75.391 27.423 1.00 21.92 O ATOM 197 CB HIS A 317 36.096 76.532 29.414 1.00 20.89 C ATOM 198 CG HIS A 317 35.598 76.661 30.815 1.00 24.74 C ATOM 199 ND1 HIS A 317 34.263 76.788 31.125 1.00 27.16 N ATOM 200 CD2 HIS A 317 36.261 76.638 31.993 1.00 34.56 C ATOM 201 CE1 HIS A 317 34.125 76.862 32.436 1.00 31.27 C ATOM 202 NE2 HIS A 317 35.324 76.774 32.985 1.00 32.70 N ATOM 203 H HIS A 317 37.687 74.462 30.190 1.00 0.00 H ATOM 204 N ARG A 318 36.155 74.291 26.598 1.00 18.09 N ATOM 205 CA ARG A 318 36.829 73.971 25.348 1.00 14.33 C ATOM 206 C ARG A 318 36.109 74.475 24.115 1.00 16.59 C ATOM 207 O ARG A 318 36.472 74.100 23.004 1.00 16.60 O ATOM 208 CB ARG A 318 37.050 72.454 25.202 1.00 15.13 C ATOM 209 CG ARG A 318 35.845 71.567 25.503 1.00 15.94 C ATOM 210 CD ARG A 318 34.796 71.649 24.416 1.00 16.46 C ATOM 211 NE ARG A 318 33.685 70.727 24.628 1.00 14.66 N ATOM 212 CZ ARG A 318 33.655 69.456 24.220 1.00 15.38 C ATOM 213 NH1 ARG A 318 34.676 68.932 23.571 1.00 14.50 N ATOM 214 NH2 ARG A 318 32.590 68.693 24.487 1.00 14.78 N ATOM 215 HE ARG A 318 32.852 71.088 25.136 1.00 0.00 H ATOM 216 HH12 ARG A 318 34.640 67.941 23.259 1.00 0.00 H ATOM 217 HH11 ARG A 318 35.517 69.510 23.371 1.00 0.00 H ATOM 218 HH22 ARG A 318 32.567 67.703 24.169 1.00 0.00 H ATOM 219 HH21 ARG A 318 31.785 69.089 25.013 1.00 0.00 H ATOM 220 H ARG A 318 35.166 74.003 26.739 1.00 0.00 H ATOM 221 N GLY A 319 35.087 75.303 24.284 1.00 14.49 N ATOM 222 CA GLY A 319 34.401 75.840 23.107 1.00 15.72 C ATOM 223 C GLY A 319 33.942 74.700 22.206 1.00 16.65 C ATOM 224 O GLY A 319 33.239 73.806 22.658 1.00 15.84 O ATOM 225 H GLY A 319 34.777 75.568 25.241 1.00 0.00 H ATOM 226 N SER A 320 34.327 74.745 20.936 1.00 16.09 N ATOM 227 CA SER A 320 33.981 73.688 19.979 1.00 16.11 C ATOM 228 C SER A 320 35.220 72.998 19.444 1.00 15.49 C ATOM 229 O SER A 320 35.387 72.811 18.250 1.00 16.16 O ATOM 230 CB SER A 320 33.148 74.256 18.824 1.00 17.70 C ATOM 231 OG SER A 320 31.888 74.694 19.300 1.00 19.23 O ATOM 232 HG SER A 320 31.405 73.930 19.704 1.00 0.00 H ATOM 233 H SER A 320 34.892 75.555 20.609 1.00 0.00 H ATOM 234 N THR A 321 36.142 72.675 20.346 1.00 14.36 N ATOM 235 CA THR A 321 37.263 71.827 19.994 1.00 13.74 C ATOM 236 C THR A 321 37.196 70.562 20.826 1.00 12.57 C ATOM 237 O THR A 321 36.415 70.478 21.766 1.00 12.21 O ATOM 238 CB THR A 321 38.603 72.523 20.227 1.00 25.16 C ATOM 239 OG1 THR A 321 39.647 71.741 19.629 1.00 39.17 O ATOM 240 CG2 THR A 321 38.875 72.704 21.694 1.00 12.91 C ATOM 241 HG1 THR A 321 39.662 70.841 20.042 1.00 0.00 H ATOM 242 H THR A 321 36.057 73.036 21.318 1.00 0.00 H ATOM 243 N GLY A 322 38.011 69.573 20.463 1.00 12.12 N ATOM 244 CA GLY A 322 38.128 68.358 21.244 1.00 11.12 C ATOM 245 C GLY A 322 38.688 68.572 22.652 1.00 12.12 C ATOM 246 O GLY A 322 39.377 69.548 22.914 1.00 13.29 O ATOM 247 H GLY A 322 38.578 69.675 19.597 1.00 0.00 H ATOM 248 N LEU A 323 38.410 67.642 23.555 1.00 9.74 N ATOM 249 CA LEU A 323 38.872 67.737 24.939 1.00 10.04 C ATOM 250 C LEU A 323 40.350 67.384 25.050 1.00 8.65 C ATOM 251 O LEU A 323 41.025 67.813 25.980 1.00 11.31 O ATOM 252 CB LEU A 323 38.044 66.821 25.815 1.00 9.29 C ATOM 253 CG LEU A 323 36.629 67.305 26.091 1.00 8.82 C ATOM 254 CD1 LEU A 323 35.724 66.146 26.433 1.00 13.98 C ATOM 255 CD2 LEU A 323 36.664 68.299 27.241 1.00 14.17 C ATOM 256 H LEU A 323 37.844 66.817 23.269 1.00 0.00 H ATOM 257 N GLY A 324 40.855 66.599 24.104 1.00 8.84 N ATOM 258 CA GLY A 324 42.256 66.222 24.101 1.00 11.66 C ATOM 259 C GLY A 324 42.624 65.100 25.035 1.00 10.30 C ATOM 260 O GLY A 324 43.662 65.146 25.721 1.00 7.94 O ATOM 261 H GLY A 324 40.232 66.247 23.349 1.00 0.00 H ATOM 262 N PHE A 325 41.775 64.082 25.121 1.00 8.61 N ATOM 263 CA PHE A 325 42.230 62.855 25.756 1.00 8.13 C ATOM 264 C PHE A 325 41.546 61.645 25.160 1.00 8.86 C ATOM 265 O PHE A 325 40.539 61.763 24.445 1.00 8.91 O ATOM 266 CB PHE A 325 42.046 62.902 27.278 1.00 7.07 C ATOM 267 CG PHE A 325 40.616 63.011 27.779 1.00 8.42 C ATOM 268 CD1 PHE A 325 39.879 61.876 28.096 1.00 7.61 C ATOM 269 CD2 PHE A 325 40.065 64.251 28.026 1.00 7.75 C ATOM 270 CE1 PHE A 325 38.589 61.988 28.612 1.00 10.60 C ATOM 271 CE2 PHE A 325 38.777 64.376 28.545 1.00 8.72 C ATOM 272 CZ PHE A 325 38.045 63.243 28.850 1.00 10.17 C ATOM 273 H PHE A 325 40.809 64.160 24.744 1.00 0.00 H ATOM 274 N ASN A 326 42.130 60.482 25.421 1.00 7.49 N ATOM 275 CA ASN A 326 41.569 59.198 25.004 1.00 7.73 C ATOM 276 C ASN A 326 40.972 58.453 26.184 1.00 8.02 C ATOM 277 O ASN A 326 41.482 58.571 27.302 1.00 7.02 O ATOM 278 CB ASN A 326 42.630 58.310 24.383 1.00 8.17 C ATOM 279 CG ASN A 326 42.812 58.567 22.930 1.00 18.93 C ATOM 280 OD1 ASN A 326 42.937 59.714 22.503 1.00 13.05 O ATOM 281 ND2 ASN A 326 42.798 57.500 22.143 1.00 21.28 N ATOM 282 HD22 ASN A 326 42.690 56.551 22.555 1.00 0.00 H ATOM 283 HD21 ASN A 326 42.895 57.612 21.114 1.00 0.00 H ATOM 284 H ASN A 326 43.028 60.484 25.946 1.00 0.00 H ATOM 285 N ILE A 327 39.927 57.665 25.914 1.00 10.22 N ATOM 286 CA ILE A 327 39.326 56.804 26.920 1.00 9.82 C ATOM 287 C ILE A 327 39.390 55.347 26.476 1.00 9.90 C ATOM 288 O ILE A 327 39.366 55.032 25.276 1.00 12.01 O ATOM 289 CB ILE A 327 37.881 57.189 27.196 1.00 9.20 C ATOM 290 CG1 ILE A 327 37.080 57.229 25.886 1.00 11.15 C ATOM 291 CG2 ILE A 327 37.793 58.504 27.863 1.00 12.18 C ATOM 292 CD1 ILE A 327 35.572 57.295 26.076 1.00 17.30 C ATOM 293 H ILE A 327 39.530 57.668 24.953 1.00 0.00 H ATOM 294 N VAL A 328 39.365 54.471 27.446 1.00 9.25 N ATOM 295 CA VAL A 328 39.401 53.034 27.211 1.00 10.70 C ATOM 296 C VAL A 328 38.380 52.406 28.122 1.00 14.15 C ATOM 297 O VAL A 328 38.258 52.808 29.296 1.00 8.34 O ATOM 298 CB VAL A 328 40.796 52.417 27.476 1.00 13.17 C ATOM 299 CG1 VAL A 328 40.788 50.893 27.232 1.00 9.74 C ATOM 300 CG2 VAL A 328 41.830 53.051 26.638 1.00 18.29 C ATOM 301 H VAL A 328 39.317 54.814 28.426 1.00 0.00 H ATOM 302 N GLY A 329 37.754 51.384 27.681 1.00 9.56 N ATOM 303 CA GLY A 329 36.885 50.632 28.534 1.00 9.87 C ATOM 304 C GLY A 329 36.717 49.262 27.932 1.00 12.65 C ATOM 305 O GLY A 329 37.106 49.080 26.811 1.00 13.91 O ATOM 306 H GLY A 329 37.877 51.095 26.690 1.00 0.00 H ATOM 307 N GLY A 330 36.184 48.306 28.674 1.00 18.46 N ATOM 308 CA GLY A 330 35.861 47.041 28.117 1.00 24.15 C ATOM 309 C GLY A 330 34.370 46.753 28.192 1.00 36.66 C ATOM 310 O GLY A 330 33.558 47.537 27.838 1.00 40.26 O ATOM 311 H GLY A 330 35.998 48.484 29.682 1.00 0.00 H ATOM 312 N GLU A 331 34.081 45.633 28.782 1.00 38.74 N ATOM 313 CA GLU A 331 32.728 45.208 28.969 1.00 39.46 C ATOM 314 C GLU A 331 31.987 46.282 29.694 1.00 34.11 C ATOM 315 O GLU A 331 32.479 46.826 30.628 1.00 32.94 O ATOM 316 CB GLU A 331 32.699 43.841 29.729 1.00 48.06 C ATOM 317 CG GLU A 331 33.622 42.822 29.079 1.00 51.18 C ATOM 318 CD GLU A 331 33.873 41.500 29.805 1.00 50.94 C ATOM 319 OE1 GLU A 331 33.408 41.255 30.904 1.00 47.58 O ATOM 320 OE2 GLU A 331 34.592 40.667 29.214 1.00 54.73 O ATOM 321 H GLU A 331 34.854 45.029 29.128 1.00 0.00 H ATOM 322 N ASP A 332 30.771 46.563 29.278 1.00 29.43 N ATOM 323 CA ASP A 332 30.037 47.676 29.886 1.00 29.83 C ATOM 324 C ASP A 332 29.983 47.345 31.380 1.00 27.69 C ATOM 325 O ASP A 332 29.953 46.191 31.730 1.00 27.41 O ATOM 326 CB ASP A 332 28.609 47.863 29.367 1.00 36.85 C ATOM 327 CG ASP A 332 28.515 47.996 27.885 1.00 32.72 C ATOM 328 OD1 ASP A 332 29.537 48.028 27.187 1.00 25.94 O ATOM 329 OD2 ASP A 332 27.385 48.114 27.410 1.00 23.06 O ATOM 330 H ASP A 332 30.333 45.999 28.522 1.00 0.00 H ATOM 331 N GLY A 333 30.088 48.348 32.211 1.00 23.72 N ATOM 332 CA GLY A 333 30.180 48.163 33.610 1.00 23.60 C ATOM 333 C GLY A 333 31.562 48.267 34.182 1.00 25.79 C ATOM 334 O GLY A 333 31.676 48.545 35.307 1.00 32.30 O ATOM 335 H GLY A 333 30.104 49.316 31.830 1.00 0.00 H ATOM 336 N GLU A 334 32.569 48.000 33.398 1.00 21.92 N ATOM 337 CA GLU A 334 33.900 47.920 33.906 1.00 22.95 C ATOM 338 C GLU A 334 34.599 49.269 34.052 1.00 18.34 C ATOM 339 O GLU A 334 35.496 49.340 34.785 1.00 16.99 O ATOM 340 CB GLU A 334 34.741 46.975 33.109 1.00 28.83 C ATOM 341 CG GLU A 334 35.308 47.475 31.815 1.00 34.53 C ATOM 342 CD GLU A 334 36.374 46.524 31.289 1.00 37.54 C ATOM 343 OE1 GLU A 334 37.336 47.042 30.834 1.00 42.42 O ATOM 344 OE2 GLU A 334 36.300 45.296 31.287 1.00 37.83 O ATOM 345 H GLU A 334 32.399 47.843 32.384 1.00 0.00 H ATOM 346 N GLY A 335 33.960 50.334 33.595 1.00 10.72 N ATOM 347 CA GLY A 335 34.497 51.671 33.825 1.00 10.65 C ATOM 348 C GLY A 335 35.090 52.306 32.583 1.00 10.68 C ATOM 349 O GLY A 335 35.513 51.636 31.669 1.00 11.25 O ATOM 350 H GLY A 335 33.070 50.217 33.069 1.00 0.00 H ATOM 351 N ILE A 336 35.102 53.646 32.570 1.00 8.10 N ATOM 352 CA ILE A 336 35.667 54.398 31.458 1.00 7.79 C ATOM 353 C ILE A 336 36.869 55.103 32.016 1.00 7.24 C ATOM 354 O ILE A 336 36.686 55.936 32.899 1.00 9.95 O ATOM 355 CB ILE A 336 34.674 55.450 30.874 1.00 8.53 C ATOM 356 CG1 ILE A 336 33.403 54.804 30.319 1.00 10.83 C ATOM 357 CG2 ILE A 336 35.336 56.283 29.791 1.00 11.79 C ATOM 358 CD1 ILE A 336 33.662 53.786 29.242 1.00 15.58 C ATOM 359 H ILE A 336 34.697 54.163 33.376 1.00 0.00 H ATOM 360 N PHE A 337 38.058 54.857 31.474 1.00 7.20 N ATOM 361 CA PHE A 337 39.299 55.406 32.023 1.00 6.88 C ATOM 362 C PHE A 337 40.045 56.286 31.002 1.00 6.99 C ATOM 363 O PHE A 337 39.979 56.052 29.803 1.00 8.00 O ATOM 364 CB PHE A 337 40.244 54.264 32.496 1.00 7.21 C ATOM 365 CG PHE A 337 39.625 53.367 33.494 1.00 7.53 C ATOM 366 CD1 PHE A 337 38.819 52.308 33.096 1.00 8.02 C ATOM 367 CD2 PHE A 337 39.845 53.552 34.839 1.00 8.87 C ATOM 368 CE1 PHE A 337 38.242 51.474 34.010 1.00 12.35 C ATOM 369 CE2 PHE A 337 39.231 52.699 35.774 1.00 8.10 C ATOM 370 CZ PHE A 337 38.407 51.697 35.348 1.00 10.92 C ATOM 371 H PHE A 337 38.108 54.252 30.629 1.00 0.00 H ATOM 372 N ILE A 338 40.745 57.282 31.501 1.00 6.55 N ATOM 373 CA ILE A 338 41.615 58.081 30.660 1.00 6.54 C ATOM 374 C ILE A 338 42.896 57.304 30.397 1.00 8.74 C ATOM 375 O ILE A 338 43.568 56.892 31.337 1.00 7.76 O ATOM 376 CB ILE A 338 41.920 59.427 31.326 1.00 8.06 C ATOM 377 CG1 ILE A 338 40.641 60.222 31.564 1.00 10.88 C ATOM 378 CG2 ILE A 338 42.875 60.197 30.451 1.00 7.86 C ATOM 379 CD1 ILE A 338 40.896 61.650 32.179 1.00 10.67 C ATOM 380 H ILE A 338 40.673 57.500 32.515 1.00 0.00 H ATOM 381 N SER A 339 43.227 57.084 29.128 1.00 7.95 N ATOM 382 CA SER A 339 44.444 56.362 28.766 1.00 8.60 C ATOM 383 C SER A 339 45.597 57.240 28.265 1.00 10.00 C ATOM 384 O SER A 339 46.730 56.761 28.099 1.00 12.48 O ATOM 385 CB SER A 339 44.115 55.356 27.677 1.00 12.53 C ATOM 386 OG SER A 339 43.580 56.051 26.552 1.00 10.91 O ATOM 387 HG SER A 339 43.363 55.402 25.837 1.00 0.00 H ATOM 388 H SER A 339 42.603 57.435 28.374 1.00 0.00 H ATOM 389 N PHE A 340 45.279 58.484 27.924 1.00 8.62 N ATOM 390 CA PHE A 340 46.212 59.366 27.214 1.00 7.74 C ATOM 391 C PHE A 340 45.687 60.782 27.270 1.00 10.46 C ATOM 392 O PHE A 340 44.526 61.014 26.981 1.00 9.23 O ATOM 393 CB PHE A 340 46.363 58.926 25.763 1.00 11.19 C ATOM 394 CG PHE A 340 47.234 59.810 24.935 1.00 8.71 C ATOM 395 CD1 PHE A 340 46.706 60.903 24.297 1.00 9.27 C ATOM 396 CD2 PHE A 340 48.572 59.509 24.717 1.00 13.27 C ATOM 397 CE1 PHE A 340 47.511 61.723 23.505 1.00 13.24 C ATOM 398 CE2 PHE A 340 49.366 60.328 23.926 1.00 10.88 C ATOM 399 CZ PHE A 340 48.836 61.433 23.332 1.00 10.81 C ATOM 400 H PHE A 340 44.335 58.845 28.169 1.00 0.00 H ATOM 401 N ILE A 341 46.542 61.725 27.638 1.00 8.66 N ATOM 402 CA ILE A 341 46.193 63.145 27.569 1.00 7.67 C ATOM 403 C ILE A 341 47.090 63.827 26.544 1.00 9.31 C ATOM 404 O ILE A 341 48.291 63.730 26.619 1.00 9.22 O ATOM 405 CB ILE A 341 46.287 63.795 28.950 1.00 8.10 C ATOM 406 CG1 ILE A 341 45.298 63.073 29.873 1.00 11.88 C ATOM 407 CG2 ILE A 341 45.973 65.276 28.868 1.00 9.80 C ATOM 408 CD1 ILE A 341 45.237 63.576 31.246 1.00 17.13 C ATOM 409 H ILE A 341 47.483 61.450 27.984 1.00 0.00 H ATOM 410 N LEU A 342 46.483 64.522 25.579 1.00 8.47 N ATOM 411 CA LEU A 342 47.223 65.217 24.540 1.00 9.18 C ATOM 412 C LEU A 342 47.925 66.454 25.077 1.00 9.55 C ATOM 413 O LEU A 342 47.313 67.315 25.722 1.00 9.40 O ATOM 414 CB LEU A 342 46.267 65.612 23.425 1.00 9.42 C ATOM 415 CG LEU A 342 46.875 66.438 22.315 1.00 10.28 C ATOM 416 CD1 LEU A 342 47.809 65.583 21.552 1.00 13.07 C ATOM 417 CD2 LEU A 342 45.761 66.930 21.422 1.00 12.31 C ATOM 418 H LEU A 342 45.444 64.567 25.571 1.00 0.00 H ATOM 419 N ALA A 343 49.213 66.561 24.795 1.00 10.19 N ATOM 420 CA ALA A 343 49.953 67.754 25.177 1.00 10.79 C ATOM 421 C ALA A 343 49.337 68.977 24.537 1.00 12.31 C ATOM 422 O ALA A 343 49.167 69.029 23.319 1.00 11.55 O ATOM 423 CB ALA A 343 51.427 67.623 24.774 1.00 11.63 C ATOM 424 H ALA A 343 49.699 65.788 24.297 1.00 0.00 H ATOM 425 N GLY A 344 49.017 69.969 25.366 1.00 11.23 N ATOM 426 CA GLY A 344 48.522 71.232 24.865 1.00 11.81 C ATOM 427 C GLY A 344 47.028 71.318 24.614 1.00 12.41 C ATOM 428 O GLY A 344 46.515 72.410 24.255 1.00 12.95 O ATOM 429 H GLY A 344 49.125 69.833 26.391 1.00 0.00 H ATOM 430 N GLY A 345 46.333 70.199 24.786 1.00 10.83 N ATOM 431 CA GLY A 345 44.892 70.146 24.615 1.00 12.99 C ATOM 432 C GLY A 345 44.160 70.683 25.827 1.00 15.22 C ATOM 433 O GLY A 345 44.769 70.943 26.852 1.00 10.82 O ATOM 434 H GLY A 345 46.839 69.330 25.053 1.00 0.00 H ATOM 435 N PRO A 346 42.842 70.876 25.713 1.00 10.10 N ATOM 436 CA PRO A 346 42.083 71.448 26.838 1.00 12.70 C ATOM 437 C PRO A 346 42.213 70.653 28.144 1.00 13.50 C ATOM 438 O PRO A 346 42.350 71.265 29.221 1.00 16.05 O ATOM 439 CB PRO A 346 40.643 71.457 26.291 1.00 13.86 C ATOM 440 CG PRO A 346 40.838 71.626 24.850 1.00 11.54 C ATOM 441 CD PRO A 346 42.018 70.772 24.502 1.00 11.78 C ATOM 442 N ALA A 347 42.208 69.321 28.062 1.00 9.32 N ATOM 443 CA ALA A 347 42.384 68.477 29.245 1.00 12.33 C ATOM 444 C ALA A 347 43.768 68.695 29.880 1.00 12.69 C ATOM 445 O ALA A 347 43.885 68.806 31.085 1.00 12.33 O ATOM 446 CB ALA A 347 42.183 67.027 28.904 1.00 12.77 C ATOM 447 H ALA A 347 42.076 68.871 27.134 1.00 0.00 H ATOM 448 N ASP A 348 44.818 68.761 29.079 1.00 12.92 N ATOM 449 CA ASP A 348 46.139 69.088 29.603 1.00 11.46 C ATOM 450 C ASP A 348 46.129 70.454 30.277 1.00 13.20 C ATOM 451 O ASP A 348 46.654 70.623 31.389 1.00 15.01 O ATOM 452 CB ASP A 348 47.176 69.051 28.480 1.00 9.44 C ATOM 453 CG ASP A 348 48.593 69.317 28.968 1.00 11.67 C ATOM 454 OD1 ASP A 348 48.881 69.101 30.167 1.00 12.09 O ATOM 455 OD2 ASP A 348 49.422 69.723 28.151 1.00 12.39 O ATOM 456 H ASP A 348 44.700 68.577 28.062 1.00 0.00 H ATOM 457 N LEU A 349 45.527 71.431 29.620 1.00 12.79 N ATOM 458 CA LEU A 349 45.598 72.789 30.128 1.00 15.58 C ATOM 459 C LEU A 349 44.895 72.881 31.487 1.00 21.02 C ATOM 460 O LEU A 349 45.249 73.738 32.277 1.00 23.74 O ATOM 461 CB LEU A 349 44.997 73.789 29.136 1.00 17.44 C ATOM 462 CG LEU A 349 45.659 73.932 27.762 1.00 31.63 C ATOM 463 CD1 LEU A 349 45.453 75.314 27.187 1.00 29.52 C ATOM 464 CD2 LEU A 349 47.126 73.646 27.815 1.00 24.91 C ATOM 465 H LEU A 349 45.005 71.227 28.744 1.00 0.00 H ATOM 466 N SER A 350 43.946 71.987 31.783 1.00 20.83 N ATOM 467 CA SER A 350 43.244 72.020 33.085 1.00 19.10 C ATOM 468 C SER A 350 44.196 71.664 34.218 1.00 28.10 C ATOM 469 O SER A 350 44.045 72.154 35.349 1.00 27.12 O ATOM 470 CB SER A 350 42.044 71.065 33.113 1.00 14.72 C ATOM 471 OG SER A 350 42.472 69.721 33.335 1.00 22.34 O ATOM 472 HG SER A 350 43.083 69.446 32.606 1.00 0.00 H ATOM 473 H SER A 350 43.697 71.256 31.086 1.00 0.00 H ATOM 474 N GLY A 351 45.172 70.815 33.910 1.00 16.94 N ATOM 475 CA GLY A 351 46.159 70.377 34.874 1.00 16.90 C ATOM 476 C GLY A 351 45.568 69.457 35.941 1.00 23.72 C ATOM 477 O GLY A 351 46.213 69.167 36.945 1.00 26.20 O ATOM 478 H GLY A 351 45.228 70.451 32.937 1.00 0.00 H ATOM 479 N GLU A 352 44.350 68.974 35.719 1.00 15.01 N ATOM 480 CA GLU A 352 43.633 68.273 36.776 1.00 11.51 C ATOM 481 C GLU A 352 43.126 66.874 36.413 1.00 13.85 C ATOM 482 O GLU A 352 42.339 66.280 37.155 1.00 13.53 O ATOM 483 CB GLU A 352 42.470 69.126 37.237 1.00 13.15 C ATOM 484 CG GLU A 352 42.912 70.441 37.843 1.00 19.79 C ATOM 485 CD GLU A 352 41.806 71.488 37.919 1.00 52.72 C ATOM 486 OE1 GLU A 352 42.145 72.696 37.969 1.00 62.95 O ATOM 487 OE2 GLU A 352 40.613 71.117 37.940 1.00 43.34 O ATOM 488 H GLU A 352 43.907 69.097 34.786 1.00 0.00 H ATOM 489 N LEU A 353 43.572 66.354 35.284 1.00 9.93 N ATOM 490 CA LEU A 353 43.263 64.981 34.895 1.00 7.51 C ATOM 491 C LEU A 353 44.543 64.241 34.611 1.00 11.52 C ATOM 492 O LEU A 353 45.527 64.847 34.231 1.00 12.26 O ATOM 493 CB LEU A 353 42.396 64.954 33.641 1.00 9.61 C ATOM 494 CG LEU A 353 40.987 65.497 33.778 1.00 9.29 C ATOM 495 CD1 LEU A 353 40.341 65.658 32.419 1.00 16.38 C ATOM 496 CD2 LEU A 353 40.181 64.613 34.660 1.00 10.84 C ATOM 497 H LEU A 353 44.159 66.938 34.655 1.00 0.00 H ATOM 498 N ARG A 354 44.532 62.929 34.786 1.00 9.07 N ATOM 499 CA ARG A 354 45.675 62.135 34.378 1.00 10.04 C ATOM 500 C ARG A 354 45.268 60.748 33.918 1.00 6.88 C ATOM 501 O ARG A 354 44.161 60.291 34.169 1.00 6.61 O ATOM 502 CB ARG A 354 46.694 62.029 35.514 1.00 19.65 C ATOM 503 CG ARG A 354 46.248 61.218 36.691 1.00 20.04 C ATOM 504 CD ARG A 354 47.450 60.752 37.513 1.00 30.36 C ATOM 505 NE ARG A 354 48.156 61.856 38.161 1.00 35.09 N ATOM 506 CZ ARG A 354 49.484 61.987 38.236 1.00 34.53 C ATOM 507 NH1 ARG A 354 50.311 61.091 37.694 1.00 15.73 N ATOM 508 NH2 ARG A 354 49.993 63.037 38.861 1.00 42.95 N ATOM 509 HE ARG A 354 47.577 62.601 38.600 1.00 0.00 H ATOM 510 HH12 ARG A 354 51.340 61.221 37.769 1.00 0.00 H ATOM 511 HH11 ARG A 354 49.926 60.263 37.196 1.00 0.00 H ATOM 512 HH22 ARG A 354 51.024 63.153 38.928 1.00 0.00 H ATOM 513 HH21 ARG A 354 49.362 63.746 39.285 1.00 0.00 H ATOM 514 H ARG A 354 43.705 62.468 35.216 1.00 0.00 H ATOM 515 N LYS A 355 46.192 60.087 33.231 1.00 9.12 N ATOM 516 CA LYS A 355 45.999 58.702 32.817 1.00 8.80 C ATOM 517 C LYS A 355 45.714 57.870 34.042 1.00 7.47 C ATOM 518 O LYS A 355 46.414 57.981 35.039 1.00 7.95 O ATOM 519 CB LYS A 355 47.236 58.166 32.107 1.00 9.24 C ATOM 520 CG LYS A 355 47.123 56.737 31.668 1.00 8.71 C ATOM 521 CD LYS A 355 48.345 56.228 30.904 1.00 13.46 C ATOM 522 CE LYS A 355 49.474 55.927 31.844 1.00 16.19 C ATOM 523 NZ LYS A 355 50.563 55.139 31.163 1.00 19.93 N ATOM 524 HZ1 LYS A 355 50.173 54.239 30.816 1.00 0.00 H ATOM 525 HZ2 LYS A 355 50.937 55.687 30.362 1.00 0.00 H ATOM 526 HZ3 LYS A 355 51.328 54.948 31.842 1.00 0.00 H ATOM 527 H LYS A 355 47.078 60.570 32.981 1.00 0.00 H ATOM 528 N GLY A 356 44.691 57.032 33.972 1.00 7.37 N ATOM 529 CA GLY A 356 44.300 56.225 35.123 1.00 8.74 C ATOM 530 C GLY A 356 43.102 56.754 35.888 1.00 7.01 C ATOM 531 O GLY A 356 42.554 56.024 36.717 1.00 7.22 O ATOM 532 H GLY A 356 44.158 56.948 33.083 1.00 0.00 H ATOM 533 N ASP A 357 42.692 57.985 35.604 1.00 6.67 N ATOM 534 CA ASP A 357 41.439 58.522 36.115 1.00 6.51 C ATOM 535 C ASP A 357 40.259 57.803 35.488 1.00 8.01 C ATOM 536 O ASP A 357 40.199 57.605 34.267 1.00 8.45 O ATOM 537 CB ASP A 357 41.304 60.020 35.840 1.00 6.35 C ATOM 538 CG ASP A 357 42.064 60.896 36.797 1.00 6.81 C ATOM 539 OD1 ASP A 357 42.353 60.490 37.959 1.00 7.12 O ATOM 540 OD2 ASP A 357 42.322 62.051 36.392 1.00 8.28 O ATOM 541 H ASP A 357 43.286 58.585 34.997 1.00 0.00 H ATOM 542 N GLN A 358 39.314 57.419 36.329 1.00 6.60 N ATOM 543 CA GLN A 358 38.005 56.961 35.855 1.00 6.68 C ATOM 544 C GLN A 358 37.106 58.159 35.717 1.00 6.79 C ATOM 545 O GLN A 358 37.096 59.015 36.590 1.00 7.21 O ATOM 546 CB GLN A 358 37.389 55.958 36.810 1.00 7.09 C ATOM 547 CG GLN A 358 36.120 55.342 36.256 1.00 9.15 C ATOM 548 CD GLN A 358 35.455 54.349 37.182 1.00 10.52 C ATOM 549 OE1 GLN A 358 35.959 53.999 38.252 1.00 12.31 O ATOM 550 NE2 GLN A 358 34.289 53.884 36.764 1.00 8.32 N ATOM 551 HE22 GLN A 358 33.897 54.204 35.855 1.00 0.00 H ATOM 552 HE21 GLN A 358 33.764 53.199 37.344 1.00 0.00 H ATOM 553 H GLN A 358 39.504 57.442 37.351 1.00 0.00 H ATOM 554 N ILE A 359 36.366 58.224 34.613 1.00 7.83 N ATOM 555 CA ILE A 359 35.387 59.281 34.422 1.00 9.02 C ATOM 556 C ILE A 359 34.096 58.800 35.064 1.00 7.13 C ATOM 557 O ILE A 359 33.464 57.883 34.551 1.00 7.89 O ATOM 558 CB ILE A 359 35.176 59.619 32.945 1.00 6.74 C ATOM 559 CG1 ILE A 359 36.492 59.919 32.227 1.00 8.78 C ATOM 560 CG2 ILE A 359 34.239 60.818 32.791 1.00 7.00 C ATOM 561 CD1 ILE A 359 37.246 61.096 32.752 1.00 12.86 C ATOM 562 H ILE A 359 36.491 57.504 33.872 1.00 0.00 H ATOM 563 N LEU A 360 33.696 59.408 36.175 1.00 7.81 N ATOM 564 CA LEU A 360 32.475 58.979 36.865 1.00 8.03 C ATOM 565 C LEU A 360 31.247 59.619 36.244 1.00 9.30 C ATOM 566 O LEU A 360 30.191 59.014 36.226 1.00 9.44 O ATOM 567 CB LEU A 360 32.513 59.331 38.360 1.00 9.19 C ATOM 568 CG LEU A 360 33.732 58.797 39.098 1.00 8.05 C ATOM 569 CD1 LEU A 360 33.627 59.103 40.613 1.00 10.08 C ATOM 570 CD2 LEU A 360 33.950 57.334 38.890 1.00 12.74 C ATOM 571 H LEU A 360 34.254 60.197 36.560 1.00 0.00 H ATOM 572 N SER A 361 31.377 60.854 35.783 1.00 8.63 N ATOM 573 CA SER A 361 30.251 61.551 35.159 1.00 8.79 C ATOM 574 C SER A 361 30.686 62.709 34.308 1.00 11.71 C ATOM 575 O SER A 361 31.773 63.261 34.491 1.00 9.27 O ATOM 576 CB SER A 361 29.261 62.040 36.211 1.00 9.61 C ATOM 577 OG SER A 361 29.826 63.011 37.069 1.00 10.90 O ATOM 578 HG SER A 361 30.118 63.792 36.535 1.00 0.00 H ATOM 579 H SER A 361 32.295 61.337 35.866 1.00 0.00 H ATOM 580 N VAL A 362 29.837 63.073 33.350 1.00 9.31 N ATOM 581 CA VAL A 362 30.043 64.281 32.557 1.00 9.88 C ATOM 582 C VAL A 362 28.739 65.067 32.520 1.00 10.23 C ATOM 583 O VAL A 362 27.703 64.561 32.091 1.00 12.22 O ATOM 584 CB VAL A 362 30.559 63.963 31.115 1.00 12.37 C ATOM 585 CG1 VAL A 362 29.569 63.149 30.333 1.00 13.33 C ATOM 586 CG2 VAL A 362 30.895 65.249 30.366 1.00 13.87 C ATOM 587 H VAL A 362 29.004 62.480 33.161 1.00 0.00 H ATOM 588 N ASN A 363 28.810 66.303 33.010 1.00 12.93 N ATOM 589 CA ASN A 363 27.665 67.201 33.103 1.00 11.71 C ATOM 590 C ASN A 363 26.488 66.548 33.820 1.00 13.65 C ATOM 591 O ASN A 363 25.319 66.761 33.470 1.00 16.05 O ATOM 592 CB ASN A 363 27.255 67.689 31.719 1.00 14.88 C ATOM 593 CG ASN A 363 28.280 68.588 31.117 1.00 17.14 C ATOM 594 OD1 ASN A 363 29.208 69.018 31.787 1.00 19.01 O ATOM 595 ND2 ASN A 363 28.119 68.891 29.840 1.00 19.27 N ATOM 596 HD22 ASN A 363 27.313 68.501 29.311 1.00 0.00 H ATOM 597 HD21 ASN A 363 28.798 69.520 29.365 1.00 0.00 H ATOM 598 H ASN A 363 29.733 66.647 33.345 1.00 0.00 H ATOM 599 N GLY A 364 26.817 65.769 34.838 1.00 15.42 N ATOM 600 CA GLY A 364 25.798 65.181 35.689 1.00 15.14 C ATOM 601 C GLY A 364 25.314 63.825 35.197 1.00 16.43 C ATOM 602 O GLY A 364 24.521 63.155 35.858 1.00 20.55 O ATOM 603 H GLY A 364 27.820 65.575 35.031 1.00 0.00 H ATOM 604 N VAL A 365 25.774 63.435 34.018 1.00 12.72 N ATOM 605 CA VAL A 365 25.419 62.137 33.435 1.00 16.19 C ATOM 606 C VAL A 365 26.392 61.059 33.935 1.00 12.32 C ATOM 607 O VAL A 365 27.587 61.144 33.690 1.00 13.98 O ATOM 608 CB VAL A 365 25.429 62.228 31.908 1.00 21.20 C ATOM 609 CG1 VAL A 365 25.101 60.883 31.293 1.00 31.60 C ATOM 610 CG2 VAL A 365 24.443 63.300 31.424 1.00 26.72 C ATOM 611 H VAL A 365 26.407 64.069 33.489 1.00 0.00 H ATOM 612 N ASP A 366 25.882 60.103 34.699 1.00 13.55 N ATOM 613 CA ASP A 366 26.688 59.041 35.306 1.00 11.24 C ATOM 614 C ASP A 366 27.248 58.131 34.221 1.00 12.91 C ATOM 615 O ASP A 366 26.467 57.535 33.456 1.00 14.68 O ATOM 616 CB ASP A 366 25.790 58.292 36.273 1.00 12.15 C ATOM 617 CG ASP A 366 26.449 57.111 37.009 1.00 14.52 C ATOM 618 OD1 ASP A 366 27.672 56.866 36.960 1.00 12.90 O ATOM 619 OD2 ASP A 366 25.667 56.397 37.675 1.00 21.61 O ATOM 620 H ASP A 366 24.857 60.107 34.876 1.00 0.00 H ATOM 621 N LEU A 367 28.570 57.998 34.180 1.00 9.90 N ATOM 622 CA LEU A 367 29.232 57.149 33.185 1.00 9.59 C ATOM 623 C LEU A 367 29.931 55.951 33.809 1.00 12.36 C ATOM 624 O LEU A 367 30.660 55.240 33.135 1.00 11.61 O ATOM 625 CB LEU A 367 30.253 57.935 32.379 1.00 11.89 C ATOM 626 CG LEU A 367 29.743 59.126 31.568 1.00 10.99 C ATOM 627 CD1 LEU A 367 30.903 59.769 30.823 1.00 13.65 C ATOM 628 CD2 LEU A 367 28.674 58.665 30.606 1.00 10.11 C ATOM 629 H LEU A 367 29.151 58.511 34.873 1.00 0.00 H ATOM 630 N ARG A 368 29.713 55.721 35.093 1.00 13.27 N ATOM 631 CA ARG A 368 30.371 54.598 35.751 1.00 12.90 C ATOM 632 C ARG A 368 30.116 53.293 35.043 1.00 14.00 C ATOM 633 O ARG A 368 31.006 52.453 34.964 1.00 15.58 O ATOM 634 CB ARG A 368 29.931 54.488 37.201 1.00 12.48 C ATOM 635 CG ARG A 368 30.511 55.592 38.086 1.00 12.50 C ATOM 636 CD ARG A 368 29.949 55.524 39.507 1.00 12.58 C ATOM 637 NE ARG A 368 28.499 55.535 39.439 1.00 12.17 N ATOM 638 CZ ARG A 368 27.675 54.857 40.226 1.00 12.14 C ATOM 639 NH1 ARG A 368 28.122 54.157 41.251 1.00 15.71 N ATOM 640 NH2 ARG A 368 26.373 54.921 39.998 1.00 15.32 N ATOM 641 HE ARG A 368 28.066 56.130 38.704 1.00 0.00 H ATOM 642 HH12 ARG A 368 27.455 53.634 41.854 1.00 0.00 H ATOM 643 HH11 ARG A 368 29.141 54.129 41.456 1.00 0.00 H ATOM 644 HH22 ARG A 368 25.712 54.396 40.605 1.00 0.00 H ATOM 645 HH21 ARG A 368 26.011 55.497 39.211 1.00 0.00 H ATOM 646 H ARG A 368 29.074 56.339 35.632 1.00 0.00 H ATOM 647 N ASN A 369 28.916 53.124 34.498 1.00 12.07 N ATOM 648 CA ASN A 369 28.514 51.876 33.863 1.00 13.72 C ATOM 649 C ASN A 369 28.255 52.022 32.364 1.00 13.22 C ATOM 650 O ASN A 369 27.583 51.182 31.750 1.00 14.56 O ATOM 651 CB ASN A 369 27.291 51.340 34.595 1.00 19.99 C ATOM 652 CG ASN A 369 27.633 50.962 36.034 1.00 27.80 C ATOM 653 OD1 ASN A 369 28.370 50.005 36.238 1.00 22.73 O ATOM 654 ND2 ASN A 369 27.160 51.740 37.025 1.00 21.45 N ATOM 655 HD22 ASN A 369 26.537 52.542 36.804 1.00 0.00 H ATOM 656 HD21 ASN A 369 27.418 51.539 38.012 1.00 0.00 H ATOM 657 H ASN A 369 28.238 53.912 34.526 1.00 0.00 H ATOM 658 N ALA A 370 28.814 53.078 31.792 1.00 11.28 N ATOM 659 CA ALA A 370 28.657 53.380 30.374 1.00 12.67 C ATOM 660 C ALA A 370 29.414 52.424 29.465 1.00 13.36 C ATOM 661 O ALA A 370 30.419 51.835 29.845 1.00 13.80 O ATOM 662 CB ALA A 370 29.129 54.796 30.088 1.00 10.82 C ATOM 663 H ALA A 370 29.388 53.717 32.378 1.00 0.00 H ATOM 664 N SER A 371 28.904 52.282 28.253 1.00 13.33 N ATOM 665 CA SER A 371 29.658 51.657 27.198 1.00 15.63 C ATOM 666 C SER A 371 30.662 52.686 26.712 1.00 17.48 C ATOM 667 O SER A 371 30.470 53.894 26.874 1.00 13.81 O ATOM 668 CB SER A 371 28.755 51.199 26.065 1.00 22.20 C ATOM 669 OG SER A 371 28.194 52.306 25.391 1.00 23.81 O ATOM 670 HG SER A 371 27.611 51.984 24.659 1.00 0.00 H ATOM 671 H SER A 371 27.942 52.628 28.059 1.00 0.00 H ATOM 672 N HIS A 372 31.731 52.219 26.091 1.00 17.32 N ATOM 673 CA HIS A 372 32.758 53.146 25.621 1.00 17.35 C ATOM 674 C HIS A 372 32.229 54.044 24.521 1.00 13.19 C ATOM 675 O HIS A 372 32.527 55.229 24.541 1.00 13.94 O ATOM 676 CB HIS A 372 34.000 52.405 25.129 1.00 20.44 C ATOM 677 CG HIS A 372 33.699 51.095 24.498 1.00 28.40 C ATOM 678 ND1 HIS A 372 34.253 49.914 24.941 1.00 36.92 N ATOM 679 CD2 HIS A 372 32.871 50.767 23.478 1.00 37.84 C ATOM 680 CE1 HIS A 372 33.791 48.916 24.209 1.00 41.11 C ATOM 681 NE2 HIS A 372 32.954 49.406 23.314 1.00 45.94 N ATOM 682 H HIS A 372 31.841 51.196 25.938 1.00 0.00 H ATOM 683 N GLU A 373 31.434 53.531 23.581 1.00 14.36 N ATOM 684 CA GLU A 373 30.958 54.404 22.501 1.00 16.30 C ATOM 685 C GLU A 373 29.993 55.459 23.024 1.00 13.08 C ATOM 686 O GLU A 373 30.093 56.623 22.623 1.00 16.13 O ATOM 687 CB GLU A 373 30.288 53.625 21.379 1.00 20.82 C ATOM 688 CG GLU A 373 29.900 54.554 20.225 1.00 27.55 C ATOM 689 CD GLU A 373 29.403 53.824 19.001 1.00 55.03 C ATOM 690 OE1 GLU A 373 29.294 52.579 19.052 1.00 69.20 O ATOM 691 OE2 GLU A 373 29.117 54.505 17.988 1.00 53.97 O ATOM 692 H GLU A 373 31.156 52.529 23.613 1.00 0.00 H ATOM 693 N GLN A 374 29.082 55.097 23.938 1.00 13.83 N ATOM 694 CA GLN A 374 28.158 56.106 24.458 1.00 13.54 C ATOM 695 C GLN A 374 28.906 57.092 25.334 1.00 12.30 C ATOM 696 O GLN A 374 28.520 58.252 25.403 1.00 13.73 O ATOM 697 CB GLN A 374 26.997 55.510 25.256 1.00 16.36 C ATOM 698 CG GLN A 374 25.925 54.847 24.470 1.00 18.49 C ATOM 699 CD GLN A 374 25.234 55.720 23.435 1.00 19.64 C ATOM 700 OE1 GLN A 374 24.930 56.906 23.646 1.00 20.57 O ATOM 701 NE2 GLN A 374 24.961 55.123 22.317 1.00 18.26 N ATOM 702 HE22 GLN A 374 25.232 54.129 22.179 1.00 0.00 H ATOM 703 HE21 GLN A 374 24.471 55.639 21.558 1.00 0.00 H ATOM 704 H GLN A 374 29.032 54.114 24.273 1.00 0.00 H ATOM 705 N ALA A 375 29.938 56.633 26.063 1.00 12.10 N ATOM 706 CA ALA A 375 30.773 57.556 26.826 1.00 11.21 C ATOM 707 C ALA A 375 31.396 58.590 25.913 1.00 10.04 C ATOM 708 O ALA A 375 31.422 59.792 26.211 1.00 9.78 O ATOM 709 CB ALA A 375 31.873 56.797 27.576 1.00 11.85 C ATOM 710 H ALA A 375 30.143 55.614 26.084 1.00 0.00 H ATOM 711 N ALA A 376 31.943 58.121 24.802 1.00 12.22 N ATOM 712 CA ALA A 376 32.578 59.012 23.855 1.00 12.06 C ATOM 713 C ALA A 376 31.560 60.003 23.308 1.00 11.99 C ATOM 714 O ALA A 376 31.848 61.194 23.144 1.00 12.51 O ATOM 715 CB ALA A 376 33.213 58.213 22.746 1.00 10.81 C ATOM 716 H ALA A 376 31.916 57.100 24.608 1.00 0.00 H ATOM 717 N ILE A 377 30.357 59.515 23.030 1.00 12.02 N ATOM 718 CA ILE A 377 29.312 60.375 22.503 1.00 12.95 C ATOM 719 C ILE A 377 28.978 61.431 23.539 1.00 13.16 C ATOM 720 O ILE A 377 28.852 62.622 23.210 1.00 14.16 O ATOM 721 CB ILE A 377 28.059 59.543 22.113 1.00 15.98 C ATOM 722 CG1 ILE A 377 28.354 58.743 20.852 1.00 18.93 C ATOM 723 CG2 ILE A 377 26.826 60.451 21.917 1.00 20.19 C ATOM 724 CD1 ILE A 377 27.376 57.618 20.614 1.00 22.22 C ATOM 725 H ILE A 377 30.161 58.506 23.191 1.00 0.00 H ATOM 726 N ALA A 378 28.835 60.997 24.794 1.00 11.97 N ATOM 727 CA ALA A 378 28.513 61.915 25.872 1.00 11.71 C ATOM 728 C ALA A 378 29.542 63.016 26.014 1.00 12.66 C ATOM 729 O ALA A 378 29.182 64.179 26.203 1.00 13.21 O ATOM 730 CB ALA A 378 28.385 61.185 27.178 1.00 13.83 C ATOM 731 H ALA A 378 28.956 59.985 25.002 1.00 0.00 H ATOM 732 N LEU A 379 30.821 62.645 25.933 1.00 11.41 N ATOM 733 CA LEU A 379 31.904 63.602 26.033 1.00 14.13 C ATOM 734 C LEU A 379 31.940 64.549 24.844 1.00 11.63 C ATOM 735 O LEU A 379 32.084 65.740 25.025 1.00 12.00 O ATOM 736 CB LEU A 379 33.244 62.876 26.164 1.00 12.03 C ATOM 737 CG LEU A 379 33.411 62.194 27.528 1.00 9.34 C ATOM 738 CD1 LEU A 379 34.460 61.110 27.582 1.00 9.73 C ATOM 739 CD2 LEU A 379 33.739 63.240 28.591 1.00 12.10 C ATOM 740 H LEU A 379 31.047 61.639 25.794 1.00 0.00 H ATOM 741 N LYS A 380 31.785 64.028 23.639 1.00 12.28 N ATOM 742 CA LYS A 380 31.893 64.874 22.455 1.00 13.12 C ATOM 743 C LYS A 380 30.711 65.818 22.325 1.00 15.07 C ATOM 744 O LYS A 380 30.809 66.866 21.685 1.00 14.74 O ATOM 745 CB LYS A 380 31.998 64.014 21.199 1.00 14.13 C ATOM 746 CG LYS A 380 33.291 63.220 21.096 1.00 15.13 C ATOM 747 CD LYS A 380 33.240 62.423 19.823 1.00 22.23 C ATOM 748 CE LYS A 380 34.537 61.859 19.432 1.00 43.16 C ATOM 749 NZ LYS A 380 34.308 61.179 18.133 1.00 42.68 N ATOM 750 HZ1 LYS A 380 33.593 60.433 18.255 1.00 0.00 H ATOM 751 HZ2 LYS A 380 33.972 61.872 17.435 1.00 0.00 H ATOM 752 HZ3 LYS A 380 35.199 60.756 17.803 1.00 0.00 H ATOM 753 H LYS A 380 31.586 63.013 23.535 1.00 0.00 H ATOM 754 N ASN A 381 29.580 65.442 22.929 1.00 15.28 N ATOM 755 CA ASN A 381 28.382 66.260 22.838 1.00 20.07 C ATOM 756 C ASN A 381 28.059 67.026 24.112 1.00 19.92 C ATOM 757 O ASN A 381 26.935 67.512 24.297 1.00 20.75 O ATOM 758 CB ASN A 381 27.186 65.381 22.451 1.00 19.02 C ATOM 759 CG ASN A 381 27.258 64.902 21.016 1.00 30.45 C ATOM 760 OD1 ASN A 381 26.851 65.610 20.096 1.00 48.08 O ATOM 761 ND2 ASN A 381 27.780 63.700 20.814 1.00 40.90 N ATOM 762 HD22 ASN A 381 28.112 63.135 21.621 1.00 0.00 H ATOM 763 HD21 ASN A 381 27.858 63.322 19.848 1.00 0.00 H ATOM 764 H ASN A 381 29.557 64.554 23.470 1.00 0.00 H ATOM 765 N ALA A 382 29.026 67.146 25.003 1.00 15.42 N ATOM 766 CA ALA A 382 28.765 67.687 26.323 1.00 14.83 C ATOM 767 C ALA A 382 28.618 69.203 26.329 1.00 21.42 C ATOM 768 O ALA A 382 28.172 69.773 27.337 1.00 25.98 O ATOM 769 CB ALA A 382 29.865 67.280 27.275 1.00 15.65 C ATOM 770 H ALA A 382 29.991 66.848 24.754 1.00 0.00 H ATOM 771 N GLY A 383 28.973 69.847 25.220 1.00 24.41 N ATOM 772 CA GLY A 383 28.861 71.285 25.131 1.00 24.77 C ATOM 773 C GLY A 383 30.187 71.956 25.408 1.00 20.55 C ATOM 774 O GLY A 383 31.195 71.284 25.618 1.00 16.70 O ATOM 775 H GLY A 383 29.336 69.309 24.407 1.00 0.00 H ATOM 776 N GLN A 384 30.190 73.289 25.407 1.00 17.02 N ATOM 777 CA GLN A 384 31.439 74.030 25.461 1.00 17.36 C ATOM 778 C GLN A 384 32.074 73.930 26.838 1.00 15.47 C ATOM 779 O GLN A 384 33.290 73.907 26.953 1.00 18.20 O ATOM 780 CB GLN A 384 31.198 75.494 25.059 1.00 23.35 C ATOM 781 CG GLN A 384 30.486 75.605 23.707 1.00 26.94 C ATOM 782 CD GLN A 384 29.856 76.966 23.458 1.00 34.27 C ATOM 783 OE1 GLN A 384 30.463 77.838 22.840 1.00 32.65 O ATOM 784 NE2 GLN A 384 28.623 77.146 23.926 1.00 32.22 N ATOM 785 HE22 GLN A 384 28.146 76.380 24.444 1.00 0.00 H ATOM 786 HE21 GLN A 384 28.136 78.052 23.774 1.00 0.00 H ATOM 787 H GLN A 384 29.288 73.805 25.367 1.00 0.00 H ATOM 788 N THR A 385 31.240 73.859 27.874 1.00 16.81 N ATOM 789 CA THR A 385 31.711 73.689 29.241 1.00 20.72 C ATOM 790 C THR A 385 31.444 72.285 29.691 1.00 15.45 C ATOM 791 O THR A 385 30.298 71.841 29.713 1.00 17.96 O ATOM 792 CB THR A 385 31.017 74.633 30.227 1.00 25.50 C ATOM 793 OG1 THR A 385 31.137 75.975 29.763 1.00 22.07 O ATOM 794 CG2 THR A 385 31.651 74.526 31.607 1.00 29.86 C ATOM 795 HG1 THR A 385 32.095 76.215 29.694 1.00 0.00 H ATOM 796 H THR A 385 30.217 73.927 27.700 1.00 0.00 H ATOM 797 N VAL A 386 32.502 71.585 30.072 1.00 13.81 N ATOM 798 CA VAL A 386 32.385 70.178 30.379 1.00 11.47 C ATOM 799 C VAL A 386 32.790 69.918 31.823 1.00 13.95 C ATOM 800 O VAL A 386 33.943 70.137 32.185 1.00 14.72 O ATOM 801 CB VAL A 386 33.264 69.352 29.420 1.00 15.07 C ATOM 802 CG1 VAL A 386 33.112 67.875 29.669 1.00 15.31 C ATOM 803 CG2 VAL A 386 32.913 69.697 27.978 1.00 16.27 C ATOM 804 H VAL A 386 33.427 72.053 30.151 1.00 0.00 H ATOM 805 N THR A 387 31.841 69.451 32.634 1.00 12.39 N ATOM 806 CA THR A 387 32.085 69.220 34.056 1.00 11.43 C ATOM 807 C THR A 387 32.228 67.742 34.286 1.00 10.74 C ATOM 808 O THR A 387 31.260 66.982 34.176 1.00 12.32 O ATOM 809 CB THR A 387 30.959 69.779 34.941 1.00 14.88 C ATOM 810 OG1 THR A 387 30.840 71.190 34.707 1.00 15.21 O ATOM 811 CG2 THR A 387 31.244 69.510 36.420 1.00 16.13 C ATOM 812 HG1 THR A 387 30.626 71.348 33.753 1.00 0.00 H ATOM 813 H THR A 387 30.899 69.245 32.243 1.00 0.00 H ATOM 814 N ILE A 388 33.462 67.353 34.561 1.00 9.47 N ATOM 815 CA ILE A 388 33.823 65.967 34.784 1.00 9.08 C ATOM 816 C ILE A 388 34.011 65.715 36.272 1.00 11.45 C ATOM 817 O ILE A 388 34.636 66.517 36.983 1.00 11.48 O ATOM 818 CB ILE A 388 35.089 65.611 33.979 1.00 8.22 C ATOM 819 CG1 ILE A 388 34.767 65.552 32.481 1.00 10.05 C ATOM 820 CG2 ILE A 388 35.685 64.297 34.421 1.00 12.00 C ATOM 821 CD1 ILE A 388 36.001 65.686 31.604 1.00 13.23 C ATOM 822 H ILE A 388 34.208 68.075 34.620 1.00 0.00 H ATOM 823 N ILE A 389 33.432 64.616 36.746 1.00 8.52 N ATOM 824 CA ILE A 389 33.803 64.045 38.029 1.00 8.43 C ATOM 825 C ILE A 389 34.711 62.874 37.702 1.00 8.60 C ATOM 826 O ILE A 389 34.351 61.994 36.917 1.00 8.62 O ATOM 827 CB ILE A 389 32.600 63.606 38.869 1.00 11.50 C ATOM 828 CG1 ILE A 389 31.610 64.759 39.032 1.00 17.55 C ATOM 829 CG2 ILE A 389 33.070 63.115 40.234 1.00 9.97 C ATOM 830 CD1 ILE A 389 32.217 66.002 39.622 1.00 11.68 C ATOM 831 H ILE A 389 32.692 64.152 36.182 1.00 0.00 H ATOM 832 N ALA A 390 35.908 62.884 38.276 1.00 8.08 N ATOM 833 CA ALA A 390 36.906 61.878 37.978 1.00 7.99 C ATOM 834 C ALA A 390 37.423 61.314 39.276 1.00 7.51 C ATOM 835 O ALA A 390 37.415 61.987 40.296 1.00 9.89 O ATOM 836 CB ALA A 390 38.074 62.480 37.169 1.00 9.02 C ATOM 837 H ALA A 390 36.135 63.635 38.959 1.00 0.00 H ATOM 838 N GLN A 391 37.905 60.089 39.221 1.00 7.07 N ATOM 839 CA GLN A 391 38.443 59.449 40.406 1.00 7.20 C ATOM 840 C GLN A 391 39.595 58.531 39.982 1.00 7.60 C ATOM 841 O GLN A 391 39.448 57.727 39.079 1.00 7.62 O ATOM 842 CB GLN A 391 37.369 58.659 41.141 1.00 9.17 C ATOM 843 CG GLN A 391 37.887 58.080 42.400 1.00 11.98 C ATOM 844 CD GLN A 391 36.807 57.484 43.248 1.00 14.60 C ATOM 845 OE1 GLN A 391 35.759 57.055 42.745 1.00 13.59 O ATOM 846 NE2 GLN A 391 37.032 57.474 44.558 1.00 14.30 N ATOM 847 HE22 GLN A 391 37.928 57.845 44.935 1.00 0.00 H ATOM 848 HE21 GLN A 391 36.312 57.095 45.206 1.00 0.00 H ATOM 849 H GLN A 391 37.900 59.575 38.317 1.00 0.00 H ATOM 850 N TYR A 392 40.741 58.678 40.631 1.00 6.97 N ATOM 851 CA TYR A 392 41.968 58.014 40.193 1.00 6.78 C ATOM 852 C TYR A 392 41.916 56.532 40.572 1.00 7.68 C ATOM 853 O TYR A 392 41.774 56.194 41.761 1.00 8.81 O ATOM 854 CB TYR A 392 43.164 58.704 40.837 1.00 8.59 C ATOM 855 CG TYR A 392 44.501 58.173 40.374 1.00 7.09 C ATOM 856 CD1 TYR A 392 44.839 58.169 39.025 1.00 7.14 C ATOM 857 CD2 TYR A 392 45.450 57.735 41.287 1.00 8.71 C ATOM 858 CE1 TYR A 392 46.079 57.703 38.597 1.00 8.31 C ATOM 859 CE2 TYR A 392 46.680 57.269 40.859 1.00 10.41 C ATOM 860 CZ TYR A 392 46.988 57.272 39.514 1.00 9.99 C ATOM 861 OH TYR A 392 48.203 56.817 39.061 1.00 11.78 O ATOM 862 HH TYR A 392 48.316 55.868 39.320 1.00 0.00 H ATOM 863 H TYR A 392 40.769 59.283 41.476 1.00 0.00 H ATOM 864 N LYS A 393 41.998 55.653 39.565 1.00 7.72 N ATOM 865 CA LYS A 393 41.816 54.220 39.784 1.00 7.92 C ATOM 866 C LYS A 393 42.915 53.465 39.016 1.00 7.25 C ATOM 867 O LYS A 393 42.645 52.807 38.020 1.00 8.92 O ATOM 868 CB LYS A 393 40.413 53.791 39.323 1.00 7.39 C ATOM 869 CG LYS A 393 39.275 54.298 40.240 1.00 7.89 C ATOM 870 CD LYS A 393 39.164 53.448 41.450 1.00 15.81 C ATOM 871 CE LYS A 393 38.011 53.903 42.369 1.00 31.30 C ATOM 872 NZ LYS A 393 37.515 52.748 43.145 1.00 50.27 N ATOM 873 HZ1 LYS A 393 37.170 52.015 42.492 1.00 0.00 H ATOM 874 HZ2 LYS A 393 38.289 52.362 43.723 1.00 0.00 H ATOM 875 HZ3 LYS A 393 36.738 53.056 43.764 1.00 0.00 H ATOM 876 H LYS A 393 42.196 55.999 38.604 1.00 0.00 H ATOM 877 N PRO A 394 44.172 53.606 39.449 1.00 9.01 N ATOM 878 CA PRO A 394 45.269 53.085 38.628 1.00 7.24 C ATOM 879 C PRO A 394 45.314 51.566 38.550 1.00 8.34 C ATOM 880 O PRO A 394 45.747 51.055 37.518 1.00 10.88 O ATOM 881 CB PRO A 394 46.520 53.644 39.320 1.00 10.17 C ATOM 882 CG PRO A 394 46.090 53.914 40.723 1.00 10.15 C ATOM 883 CD PRO A 394 44.661 54.381 40.605 1.00 9.22 C ATOM 884 N GLU A 395 44.893 50.849 39.591 1.00 8.36 N ATOM 885 CA GLU A 395 44.882 49.408 39.536 1.00 9.63 C ATOM 886 C GLU A 395 43.929 48.913 38.456 1.00 9.67 C ATOM 887 O GLU A 395 44.296 48.064 37.642 1.00 11.20 O ATOM 888 CB GLU A 395 44.498 48.824 40.893 1.00 13.51 C ATOM 889 CG GLU A 395 45.485 49.093 41.991 1.00 15.05 C ATOM 890 CD GLU A 395 45.401 50.479 42.591 1.00 15.25 C ATOM 891 OE1 GLU A 395 44.376 51.186 42.404 1.00 15.32 O ATOM 892 OE2 GLU A 395 46.379 50.851 43.288 1.00 17.34 O ATOM 893 H GLU A 395 44.569 51.334 40.452 1.00 0.00 H ATOM 894 N GLU A 396 42.710 49.446 38.444 1.00 10.44 N ATOM 895 CA GLU A 396 41.729 49.078 37.425 1.00 11.16 C ATOM 896 C GLU A 396 42.267 49.413 36.050 1.00 11.78 C ATOM 897 O GLU A 396 42.220 48.597 35.124 1.00 7.98 O ATOM 898 CB GLU A 396 40.388 49.798 37.660 1.00 11.69 C ATOM 899 CG GLU A 396 39.595 49.227 38.789 1.00 15.68 C ATOM 900 CD GLU A 396 40.050 49.728 40.143 1.00 25.28 C ATOM 901 OE1 GLU A 396 40.981 50.567 40.199 1.00 13.65 O ATOM 902 OE2 GLU A 396 39.472 49.277 41.158 1.00 36.19 O ATOM 903 H GLU A 396 42.450 50.139 39.175 1.00 0.00 H ATOM 904 N TYR A 397 42.790 50.625 35.921 1.00 10.63 N ATOM 905 CA TYR A 397 43.290 51.077 34.637 1.00 10.76 C ATOM 906 C TYR A 397 44.403 50.157 34.125 1.00 11.19 C ATOM 907 O TYR A 397 44.459 49.836 32.920 1.00 12.61 O ATOM 908 CB TYR A 397 43.826 52.527 34.704 1.00 11.94 C ATOM 909 CG TYR A 397 44.580 52.830 33.446 1.00 9.50 C ATOM 910 CD1 TYR A 397 43.916 53.193 32.284 1.00 10.74 C ATOM 911 CD2 TYR A 397 45.954 52.677 33.398 1.00 11.61 C ATOM 912 CE1 TYR A 397 44.596 53.377 31.106 1.00 9.37 C ATOM 913 CE2 TYR A 397 46.649 52.880 32.227 1.00 9.00 C ATOM 914 CZ TYR A 397 45.945 53.231 31.076 1.00 9.69 C ATOM 915 OH TYR A 397 46.605 53.406 29.904 1.00 11.24 O ATOM 916 HH TYR A 397 47.065 52.565 29.657 1.00 0.00 H ATOM 917 H TYR A 397 42.842 51.256 36.746 1.00 0.00 H ATOM 918 N SER A 398 45.291 49.743 35.024 1.00 11.88 N ATOM 919 CA SER A 398 46.486 48.993 34.620 1.00 13.49 C ATOM 920 C SER A 398 46.156 47.671 33.906 1.00 15.43 C ATOM 921 O SER A 398 47.015 47.124 33.200 1.00 16.25 O ATOM 922 CB SER A 398 47.385 48.733 35.841 1.00 14.89 C ATOM 923 OG SER A 398 46.824 47.751 36.695 1.00 16.61 O ATOM 924 HG SER A 398 45.940 48.060 37.015 1.00 0.00 H ATOM 925 H SER A 398 45.136 49.954 36.030 1.00 0.00 H ATOM 926 N ARG A 399 44.924 47.176 34.024 1.00 12.41 N ATOM 927 CA ARG A 399 44.547 45.937 33.347 1.00 12.53 C ATOM 928 C ARG A 399 44.556 46.127 31.855 1.00 13.07 C ATOM 929 O ARG A 399 44.659 45.159 31.108 1.00 13.04 O ATOM 930 CB ARG A 399 43.158 45.426 33.795 1.00 22.50 C ATOM 931 CG ARG A 399 41.931 46.009 33.030 1.00 37.28 C ATOM 932 CD ARG A 399 40.634 45.169 33.204 1.00 50.20 C ATOM 933 NE ARG A 399 40.569 44.049 32.255 1.00 63.94 N ATOM 934 CZ ARG A 399 39.876 44.041 31.112 1.00 64.49 C ATOM 935 NH1 ARG A 399 39.156 45.094 30.740 1.00 72.87 N ATOM 936 NH2 ARG A 399 39.900 42.967 30.328 1.00 65.68 N ATOM 937 HE ARG A 399 41.107 43.191 32.492 1.00 0.00 H ATOM 938 HH12 ARG A 399 38.623 45.070 29.847 1.00 0.00 H ATOM 939 HH11 ARG A 399 39.126 45.942 31.342 1.00 0.00 H ATOM 940 HH22 ARG A 399 39.361 42.960 29.439 1.00 0.00 H ATOM 941 HH21 ARG A 399 40.458 42.134 30.604 1.00 0.00 H ATOM 942 H ARG A 399 44.222 47.678 34.605 1.00 0.00 H ATOM 943 N PHE A 400 44.427 47.375 31.413 1.00 11.89 N ATOM 944 CA PHE A 400 44.299 47.655 30.002 1.00 10.17 C ATOM 945 C PHE A 400 45.646 47.815 29.303 1.00 10.47 C ATOM 946 O PHE A 400 45.784 47.458 28.140 1.00 10.81 O ATOM 947 CB PHE A 400 43.494 48.923 29.796 1.00 12.23 C ATOM 948 CG PHE A 400 42.024 48.783 30.139 1.00 11.63 C ATOM 949 CD1 PHE A 400 41.159 48.195 29.242 1.00 22.80 C ATOM 950 CD2 PHE A 400 41.532 49.268 31.320 1.00 12.50 C ATOM 951 CE1 PHE A 400 39.813 48.080 29.532 1.00 25.57 C ATOM 952 CE2 PHE A 400 40.171 49.163 31.620 1.00 16.46 C ATOM 953 CZ PHE A 400 39.328 48.561 30.720 1.00 22.45 C ATOM 954 H PHE A 400 44.418 48.161 32.094 1.00 0.00 H ATOM 955 N GLU A 401 46.631 48.384 29.995 1.00 8.80 N ATOM 956 CA GLU A 401 47.881 48.736 29.323 1.00 8.68 C ATOM 957 C GLU A 401 48.959 47.699 29.579 1.00 9.24 C ATOM 958 O GLU A 401 49.207 47.335 30.724 1.00 11.85 O ATOM 959 CB GLU A 401 48.337 50.131 29.773 1.00 9.55 C ATOM 960 CG GLU A 401 49.577 50.591 29.037 1.00 9.79 C ATOM 961 CD GLU A 401 49.911 52.082 29.188 1.00 13.96 C ATOM 962 OE1 GLU A 401 49.258 52.829 29.963 1.00 13.34 O ATOM 963 OE2 GLU A 401 50.878 52.505 28.509 1.00 15.54 O ATOM 964 H GLU A 401 46.512 48.577 31.010 1.00 0.00 H ATOM 965 N ALA A 402 49.589 47.206 28.512 1.00 9.82 N ATOM 966 CA ALA A 402 50.602 46.178 28.623 1.00 12.32 C ATOM 967 C ALA A 402 51.723 46.560 29.589 1.00 13.60 C ATOM 968 O ALA A 402 52.181 47.714 29.623 1.00 15.54 O ATOM 969 CB ALA A 402 51.187 45.873 27.234 1.00 12.14 C ATOM 970 H ALA A 402 49.345 47.572 27.570 1.00 0.00 H ATOM 971 N ASN A 403 52.147 45.560 30.359 1.00 13.81 N ATOM 972 CA ASN A 403 53.297 45.650 31.258 1.00 14.99 C ATOM 973 C ASN A 403 53.219 46.815 32.261 1.00 15.63 C ATOM 974 O ASN A 403 54.248 47.340 32.685 1.00 16.94 O ATOM 975 CB ASN A 403 54.572 45.763 30.438 1.00 15.81 C ATOM 976 CG ASN A 403 54.945 44.463 29.721 1.00 20.64 C ATOM 977 OD1 ASN A 403 54.737 43.349 30.230 1.00 24.33 O ATOM 978 ND2 ASN A 403 55.551 44.610 28.551 1.00 40.55 N ATOM 979 HD22 ASN A 403 55.705 45.562 28.161 1.00 0.00 H ATOM 980 HD21 ASN A 403 55.872 43.774 28.023 1.00 0.00 H ATOM 981 H ASN A 403 51.628 44.659 30.319 1.00 0.00 H ATOM 982 N SER A 404 52.008 47.211 32.634 1.00 12.73 N ATOM 983 CA SER A 404 51.835 48.313 33.576 1.00 11.58 C ATOM 984 C SER A 404 51.551 47.767 34.967 1.00 13.83 C ATOM 985 O SER A 404 51.122 46.621 35.132 1.00 16.54 O ATOM 986 CB SER A 404 50.708 49.250 33.119 1.00 12.28 C ATOM 987 OG SER A 404 49.457 48.591 33.121 1.00 11.64 O ATOM 988 HG SER A 404 49.492 47.817 32.505 1.00 0.00 H ATOM 989 H SER A 404 51.170 46.729 32.250 1.00 0.00 H ATOM 990 N ARG A 405 51.822 48.595 35.966 1.00 10.90 N ATOM 991 CA ARG A 405 51.619 48.237 37.359 1.00 9.58 C ATOM 992 C ARG A 405 51.595 49.551 38.127 1.00 9.32 C ATOM 993 O ARG A 405 51.868 50.625 37.564 1.00 10.27 O ATOM 994 CB ARG A 405 52.719 47.321 37.879 1.00 10.48 C ATOM 995 CG ARG A 405 54.090 47.970 37.840 1.00 10.91 C ATOM 996 CD ARG A 405 55.169 47.007 38.210 1.00 12.94 C ATOM 997 NE ARG A 405 56.466 47.580 37.882 1.00 13.29 N ATOM 998 CZ ARG A 405 57.145 48.408 38.655 1.00 15.05 C ATOM 999 NH1 ARG A 405 56.689 48.758 39.848 1.00 13.53 N ATOM 1000 NH2 ARG A 405 58.313 48.870 38.224 1.00 20.47 N ATOM 1001 HE ARG A 405 56.890 47.317 36.970 1.00 0.00 H ATOM 1002 HH12 ARG A 405 57.237 49.411 40.443 1.00 0.00 H ATOM 1003 HH11 ARG A 405 55.783 48.380 40.190 1.00 0.00 H ATOM 1004 HH22 ARG A 405 58.864 49.523 38.816 1.00 0.00 H ATOM 1005 HH21 ARG A 405 58.676 48.579 37.294 1.00 0.00 H ATOM 1006 H ARG A 405 52.195 49.540 35.743 1.00 0.00 H ATOM 1007 N VAL A 406 51.271 49.459 39.407 1.00 10.40 N ATOM 1008 CA VAL A 406 51.092 50.628 40.242 1.00 10.77 C ATOM 1009 C VAL A 406 52.152 50.590 41.313 1.00 12.65 C ATOM 1010 O VAL A 406 52.302 49.559 41.977 1.00 11.30 O ATOM 1011 CB VAL A 406 49.686 50.655 40.866 1.00 9.18 C ATOM 1012 CG1 VAL A 406 49.516 51.918 41.692 1.00 9.30 C ATOM 1013 CG2 VAL A 406 48.615 50.576 39.806 1.00 14.51 C ATOM 1014 H VAL A 406 51.141 48.516 39.827 1.00 0.00 H ATOM 1015 N ASP A 407 52.898 51.679 41.476 1.00 14.46 N ATOM 1016 CA ASP A 407 53.937 51.705 42.510 1.00 15.39 C ATOM 1017 C ASP A 407 53.365 52.207 43.858 1.00 16.49 C ATOM 1018 O ASP A 407 52.175 52.387 43.997 1.00 15.68 O ATOM 1019 CB ASP A 407 55.161 52.517 42.036 1.00 20.47 C ATOM 1020 CG ASP A 407 54.965 54.015 42.084 1.00 17.80 C ATOM 1021 OD1 ASP A 407 53.977 54.522 42.652 1.00 19.94 O ATOM 1022 OD2 ASP A 407 55.873 54.708 41.571 1.00 17.84 O ATOM 1023 H ASP A 407 52.745 52.511 40.871 1.00 0.00 H ATOM 1024 N SER A 408 54.228 52.407 44.854 1.00 23.30 N ATOM 1025 CA SER A 408 53.768 52.690 46.214 1.00 23.01 C ATOM 1026 C SER A 408 53.080 54.044 46.412 1.00 25.62 C ATOM 1027 O SER A 408 52.337 54.236 47.389 1.00 23.92 O ATOM 1028 CB SER A 408 54.950 52.597 47.174 1.00 26.71 C ATOM 1029 OG SER A 408 55.944 53.547 46.837 1.00 27.51 O ATOM 1030 HG SER A 408 56.265 53.375 45.916 1.00 0.00 H ATOM 1031 H SER A 408 55.249 52.361 44.661 1.00 0.00 H ATOM 1032 N SER A 409 53.335 54.990 45.514 1.00 21.80 N ATOM 1033 CA SER A 409 52.700 56.303 45.594 1.00 21.85 C ATOM 1034 C SER A 409 51.405 56.309 44.805 1.00 16.92 C ATOM 1035 O SER A 409 50.660 57.295 44.787 1.00 17.76 O ATOM 1036 CB SER A 409 53.646 57.377 45.066 1.00 28.59 C ATOM 1037 OG SER A 409 53.759 57.270 43.657 1.00 29.36 O ATOM 1038 HG SER A 409 54.115 56.376 43.423 1.00 0.00 H ATOM 1039 H SER A 409 54.000 54.792 44.739 1.00 0.00 H ATOM 1040 N GLY A 410 51.127 55.189 44.137 1.00 17.25 N ATOM 1041 CA GLY A 410 49.977 55.092 43.287 1.00 15.48 C ATOM 1042 C GLY A 410 50.208 55.448 41.839 1.00 14.78 C ATOM 1043 O GLY A 410 49.276 55.436 41.043 1.00 14.60 O ATOM 1044 H GLY A 410 51.758 54.368 44.235 1.00 0.00 H ATOM 1045 N ARG A 411 51.462 55.699 41.463 1.00 11.45 N ATOM 1046 CA ARG A 411 51.757 56.043 40.076 1.00 11.24 C ATOM 1047 C ARG A 411 51.789 54.814 39.181 1.00 12.75 C ATOM 1048 O ARG A 411 52.190 53.744 39.600 1.00 13.04 O ATOM 1049 CB ARG A 411 53.091 56.781 40.010 1.00 17.07 C ATOM 1050 CG ARG A 411 52.905 58.206 40.466 1.00 22.14 C ATOM 1051 CD ARG A 411 54.171 58.965 40.649 1.00 30.34 C ATOM 1052 NE ARG A 411 53.851 60.369 40.884 1.00 29.48 N ATOM 1053 CZ ARG A 411 53.451 60.866 42.052 1.00 38.73 C ATOM 1054 NH1 ARG A 411 53.334 60.087 43.123 1.00 27.42 N ATOM 1055 NH2 ARG A 411 53.170 62.155 42.145 1.00 42.39 N ATOM 1056 HE ARG A 411 53.942 61.027 40.084 1.00 0.00 H ATOM 1057 HH12 ARG A 411 53.020 60.491 44.028 1.00 0.00 H ATOM 1058 HH11 ARG A 411 53.556 59.073 43.055 1.00 0.00 H ATOM 1059 HH22 ARG A 411 52.857 62.555 43.052 1.00 0.00 H ATOM 1060 HH21 ARG A 411 53.263 62.769 41.311 1.00 0.00 H ATOM 1061 H ARG A 411 52.232 55.650 42.160 1.00 0.00 H ATOM 1062 N ILE A 412 51.336 54.971 37.943 1.00 9.71 N ATOM 1063 CA ILE A 412 51.352 53.880 36.987 1.00 11.85 C ATOM 1064 C ILE A 412 52.718 53.835 36.343 1.00 16.64 C ATOM 1065 O ILE A 412 53.179 54.850 35.816 1.00 15.98 O ATOM 1066 CB ILE A 412 50.253 54.079 35.951 1.00 12.25 C ATOM 1067 CG1 ILE A 412 48.891 53.995 36.623 1.00 11.93 C ATOM 1068 CG2 ILE A 412 50.377 53.093 34.819 1.00 12.34 C ATOM 1069 CD1 ILE A 412 47.840 54.788 35.917 1.00 12.23 C ATOM 1070 H ILE A 412 50.961 55.897 37.652 1.00 0.00 H ATOM 1071 N VAL A 413 53.346 52.664 36.416 1.00 12.36 N ATOM 1072 CA VAL A 413 54.641 52.384 35.831 1.00 12.44 C ATOM 1073 C VAL A 413 54.455 51.360 34.739 1.00 12.35 C ATOM 1074 O VAL A 413 53.800 50.347 34.953 1.00 12.00 O ATOM 1075 CB VAL A 413 55.636 51.855 36.894 1.00 14.57 C ATOM 1076 CG1 VAL A 413 56.976 51.530 36.271 1.00 21.25 C ATOM 1077 CG2 VAL A 413 55.788 52.883 38.001 1.00 20.64 C ATOM 1078 H VAL A 413 52.873 51.894 36.930 1.00 0.00 H ATOM 1079 N THR A 414 55.092 51.585 33.607 1.00 17.95 N ATOM 1080 CA THR A 414 55.106 50.599 32.533 1.00 17.99 C ATOM 1081 C THR A 414 56.532 50.174 32.338 1.00 18.53 C ATOM 1082 O THR A 414 57.420 50.996 32.130 1.00 25.43 O ATOM 1083 CB THR A 414 54.533 51.170 31.234 1.00 28.77 C ATOM 1084 OG1 THR A 414 53.245 51.737 31.506 1.00 23.70 O ATOM 1085 CG2 THR A 414 54.372 50.093 30.191 1.00 36.07 C ATOM 1086 HG1 THR A 414 53.338 52.459 32.177 1.00 0.00 H ATOM 1087 H THR A 414 55.596 52.486 33.477 1.00 0.00 H ATOM 1088 N ASP A 415 56.767 48.879 32.415 1.00 19.40 N ATOM 1089 CA ASP A 415 58.103 48.386 32.274 1.00 24.46 C ATOM 1090 C ASP A 415 58.389 48.135 30.799 1.00 43.74 C ATOM 1091 O ASP A 415 57.464 48.017 29.991 1.00 37.69 O ATOM 1092 CB ASP A 415 58.284 47.122 33.106 1.00 20.00 C ATOM 1093 CG ASP A 415 58.007 47.350 34.584 1.00 24.94 C ATOM 1094 OD1 ASP A 415 58.763 48.106 35.221 1.00 20.29 O ATOM 1095 OD2 ASP A 415 57.042 46.758 35.104 1.00 21.52 O ATOM 1096 OXT ASP A 415 59.547 48.062 30.391 1.00 42.88 O ATOM 1097 H ASP A 415 55.982 48.216 32.578 1.00 0.00 H TER 1098 ASP A 415 HETATM 1099 O HOH 1 36.426 51.305 39.112 1.00 29.99 O HETATM 1100 O HOH 2 40.596 69.747 18.812 1.00 32.86 O HETATM 1101 O HOH 3 45.230 74.889 34.385 1.00 21.86 O HETATM 1102 O HOH 4 60.729 49.510 34.505 1.00 38.05 O HETATM 1103 O HOH 5 27.449 51.407 23.155 1.00 24.28 O HETATM 1104 O HOH 6 35.344 53.175 44.382 1.00 27.18 O HETATM 1105 O HOH 7 48.343 49.589 44.285 1.00 18.55 O HETATM 1106 O HOH 8 36.098 59.586 18.973 1.00 35.64 O HETATM 1107 O HOH 9 41.073 60.732 42.557 1.00 7.45 O HETATM 1108 O HOH 10 24.150 57.466 32.396 1.00 15.41 O HETATM 1109 O HOH 11 41.346 70.943 21.373 1.00 28.78 O HETATM 1110 O HOH 12 36.200 50.995 41.796 1.00 42.09 O HETATM 1111 O HOH 13 38.620 72.498 37.079 1.00 23.34 O HETATM 1112 O HOH 14 61.724 48.241 31.770 1.00 48.00 O HETATM 1113 O HOH 15 56.895 51.391 44.728 1.00 30.12 O HETATM 1114 O HOH 16 37.343 48.204 36.244 1.00 24.43 O HETATM 1115 O HOH 17 33.286 77.226 28.733 1.00 36.99 O HETATM 1116 O HOH 18 40.175 55.957 43.827 1.00 7.87 O HETATM 1117 O HOH 19 44.761 74.006 37.068 1.00 28.50 O HETATM 1118 O HOH 20 29.416 61.774 39.354 1.00 23.73 O HETATM 1119 O HOH 21 47.971 74.513 23.631 1.00 25.74 O HETATM 1120 O HOH 22 33.231 55.239 34.207 1.00 8.75 O HETATM 1121 O HOH 23 25.353 54.139 36.332 1.00 21.49 O HETATM 1122 O HOH 24 56.852 56.406 39.781 1.00 35.74 O HETATM 1123 O HOH 25 51.578 51.196 26.308 1.00 11.89 O HETATM 1124 O HOH 26 29.550 80.084 21.735 1.00 22.57 O HETATM 1125 O HOH 27 30.152 72.768 19.955 1.00 17.42 O HETATM 1126 O HOH 28 29.298 69.047 39.809 1.00 24.60 O HETATM 1127 O HOH 29 44.717 67.683 26.389 1.00 8.97 O HETATM 1128 O HOH 30 39.665 47.251 34.954 1.00 31.20 O HETATM 1129 O HOH 31 58.513 64.775 41.723 1.00 24.01 O HETATM 1130 O HOH 32 53.013 54.045 29.238 1.00 24.13 O HETATM 1131 O HOH 33 28.471 48.419 38.460 1.00 39.51 O HETATM 1132 O HOH 34 26.717 64.829 27.192 1.00 23.43 O HETATM 1133 O HOH 35 47.916 70.385 21.299 1.00 22.05 O HETATM 1134 O HOH 36 35.131 49.959 37.604 1.00 43.45 O HETATM 1135 O HOH 37 50.530 72.231 28.396 1.00 21.78 O HETATM 1136 O HOH 38 41.308 73.736 29.853 1.00 24.08 O HETATM 1137 O HOH 39 49.054 58.511 35.653 1.00 20.07 O HETATM 1138 O HOH 40 27.845 72.459 28.603 1.00 39.82 O HETATM 1139 O HOH 41 26.189 52.943 21.134 1.00 24.46 O HETATM 1140 O HOH 42 45.615 67.399 33.131 1.00 16.13 O HETATM 1141 O HOH 43 49.240 45.445 32.900 1.00 22.63 O HETATM 1142 O HOH 44 50.144 44.795 37.015 1.00 31.34 O HETATM 1143 O HOH 45 29.619 65.560 35.960 1.00 12.67 O HETATM 1144 O HOH 46 48.147 67.911 32.584 1.00 20.91 O HETATM 1145 O HOH 47 55.322 44.647 34.471 1.00 52.75 O HETATM 1146 O HOH 48 52.954 54.436 32.432 1.00 27.30 O HETATM 1147 O HOH 49 50.062 51.311 45.483 1.00 21.87 O HETATM 1148 O HOH 50 47.494 56.811 45.414 1.00 23.25 O HETATM 1149 O HOH 51 29.108 71.972 32.651 1.00 25.73 O HETATM 1150 O HOH 52 46.039 58.565 48.033 1.00 29.27 O HETATM 1151 O HOH 53 48.885 63.455 48.784 1.00 45.05 O HETATM 1152 O HOH 54 40.704 74.919 27.440 1.00 32.98 O HETATM 1153 O HOH 55 54.422 47.821 41.338 1.00 14.02 O HETATM 1154 O HOH 56 35.892 76.741 19.715 1.00 18.72 O HETATM 1155 O HOH 57 35.101 54.369 40.909 1.00 40.47 O HETATM 1156 O HOH 58 29.933 69.415 22.508 1.00 12.96 O HETATM 1157 O HOH 59 31.500 51.216 32.373 1.00 15.95 O HETATM 1158 O HOH 60 52.088 68.896 28.565 1.00 16.67 O HETATM 1159 O HOH 61 53.210 48.907 27.268 1.00 18.16 O HETATM 1160 O HOH 62 25.790 59.016 25.355 1.00 16.50 O HETATM 1161 O HOH 63 26.487 54.745 33.976 1.00 15.68 O HETATM 1162 O HOH 64 58.292 53.285 41.130 1.00 27.98 O HETATM 1163 O HOH 65 30.168 73.255 36.539 1.00 29.59 O HETATM 1164 O HOH 66 39.932 69.335 40.199 1.00 16.39 O HETATM 1165 O HOH 67 45.825 42.707 31.988 1.00 26.60 O HETATM 1166 O HOH 68 39.412 74.873 30.621 1.00 30.11 O HETATM 1167 O HOH 69 44.058 62.661 41.955 1.00 12.71 O HETATM 1168 O HOH 70 27.631 74.411 24.755 1.00 29.56 O HETATM 1169 O HOH 71 41.477 58.463 50.665 1.00 35.89 O HETATM 1170 O HOH 72 50.130 46.978 40.312 1.00 14.70 O HETATM 1171 O HOH 73 50.334 57.584 37.275 1.00 10.99 O HETATM 1172 O HOH 74 43.588 59.501 48.731 1.00 19.04 O HETATM 1173 O HOH 75 51.786 61.322 50.470 1.00 29.60 O HETATM 1174 O HOH 76 56.708 53.976 33.469 1.00 31.26 O HETATM 1175 O HOH 77 34.227 77.128 26.359 1.00 26.03 O HETATM 1176 O HOH 78 41.568 67.071 39.856 1.00 15.58 O HETATM 1177 O HOH 79 43.918 73.639 23.753 1.00 27.19 O HETATM 1178 O HOH 80 48.678 53.525 46.193 1.00 22.55 O HETATM 1179 O HOH 81 44.482 62.054 39.300 1.00 14.01 O HETATM 1180 O HOH 82 57.235 42.791 26.921 1.00 24.93 O HETATM 1181 O HOH 83 49.522 55.499 47.254 1.00 46.39 O HETATM 1182 O HOH 84 32.390 51.383 37.378 1.00 30.89 O HETATM 1183 O HOH 85 41.379 53.840 45.110 1.00 12.16 O HETATM 1184 O HOH 86 48.946 61.195 32.837 1.00 18.10 O HETATM 1185 O HOH 87 31.129 71.683 22.265 1.00 16.22 O HETATM 1186 O HOH 88 50.651 68.109 20.795 1.00 43.60 O HETATM 1187 O HOH 89 51.929 65.726 44.563 1.00 42.26 O HETATM 1188 O HOH 90 47.809 46.745 39.444 1.00 36.68 O HETATM 1189 O HOH 91 26.752 79.501 23.198 1.00 33.36 O HETATM 1190 O HOH 92 25.288 68.163 28.740 1.00 47.57 O HETATM 1191 O HOH 93 32.685 78.875 24.777 1.00 50.47 O HETATM 1192 O HOH 94 35.361 76.754 36.113 1.00 41.59 O HETATM 1193 O HOH 95 45.532 68.840 39.993 1.00 33.48 O HETATM 1194 O HOH 96 28.301 75.020 27.701 1.00 38.46 O HETATM 1195 O HOH 97 26.938 70.281 33.656 1.00 38.10 O HETATM 1196 O HOH 98 47.091 65.912 36.820 1.00 45.69 O HETATM 1197 O HOH 99 28.828 59.108 39.132 1.00 22.30 O HETATM 1198 O HOH 100 40.141 51.508 44.622 1.00 17.02 O HETATM 1199 O HOH 101 22.300 65.437 34.023 1.00 40.95 O HETATM 1200 O HOH 102 33.487 79.143 22.080 1.00 24.89 O HETATM 1201 O HOH 103 41.675 47.598 43.125 1.00 34.24 O HETATM 1202 O HOH 104 45.432 76.969 31.201 1.00 22.06 O HETATM 1203 O HOH 105 48.655 64.768 32.797 1.00 33.77 O HETATM 1204 O HOH 106 45.148 64.787 38.524 1.00 31.27 O HETATM 1205 O HOH 107 43.982 66.764 40.190 1.00 27.56 O HETATM 1206 O HOH 108 48.912 64.438 42.809 1.00 33.00 O HETATM 1207 O HOH 109 56.520 49.473 43.279 1.00 37.57 O HETATM 1208 O HOH 110 49.692 47.493 43.092 1.00 32.42 O HETATM 1209 O HOH 111 69.311 74.305 50.189 1.00 29.80 O HETATM 1210 O HOH 112 24.248 66.659 30.059 1.00 63.67 O HETATM 1211 O HOH 113 71.737 68.742 50.202 1.00 40.26 O HETATM 1212 O HOH 114 39.972 74.879 22.833 1.00 31.77 O HETATM 1213 O HOH 115 26.598 58.748 40.286 1.00 36.31 O HETATM 1214 O HOH 116 28.439 67.273 37.861 1.00 19.91 O HETATM 1215 O HOH 117 37.321 79.090 27.074 1.00 38.20 O HETATM 1216 O HOH 118 42.748 68.926 21.346 1.00 34.70 O HETATM 1217 O HOH 119 37.971 77.605 21.247 1.00 25.97 O HETATM 1218 O HOH 120 38.606 77.164 23.848 1.00 48.07 O HETATM 1219 O HOH 121 46.896 52.765 48.175 1.00 41.56 O HETATM 1220 O HOH 122 27.062 69.383 36.209 1.00 29.48 O HETATM 1221 O HOH 123 44.401 65.189 42.481 1.00 23.33 O HETATM 1222 O HOH 124 28.802 71.798 38.775 1.00 43.14 O HETATM 1223 O HOH 125 30.703 51.666 39.578 1.00 36.29 O HETATM 1224 O HOH 126 27.914 69.441 20.211 1.00 31.33 O HETATM 1225 O HOH 127 60.481 51.732 35.376 1.00 45.78 O HETATM 1226 O HOH 128 55.635 52.733 28.274 1.00 23.25 O HETATM 1227 O HOH 129 38.427 74.763 37.463 1.00 49.18 O HETATM 1228 O HOH 130 50.942 50.006 47.591 1.00 40.28 O HETATM 1229 O HOH 131 42.032 75.071 24.970 1.00 40.31 O HETATM 1230 O HOH 132 51.529 66.164 42.553 1.00 51.06 O HETATM 1231 O HOH 133 59.685 53.819 43.545 1.00 47.12 O HETATM 1232 O HOH 134 31.137 77.007 34.299 1.00 64.90 O HETATM 1233 O HOH 135 40.393 45.093 37.327 1.00 36.02 O HETATM 1234 O HOH 136 42.144 67.402 19.817 1.00 31.48 O HETATM 1235 O HOH 137 46.511 45.339 40.594 1.00 45.47 O HETATM 1236 O HOH 138 26.603 72.898 22.485 1.00 29.67 O HETATM 1237 O HOH 139 30.140 75.739 35.521 1.00 46.24 O HETATM 1238 O HOH 140 46.945 66.134 43.314 1.00 28.95 O HETATM 1239 O HOH 141 22.558 65.712 29.479 1.00 57.95 O HETATM 1240 O HOH 142 29.815 62.132 42.110 1.00 28.12 O HETATM 1241 O HOH 143 24.680 62.170 27.599 1.00 26.92 O HETATM 1242 O HOH 144 28.242 64.039 43.309 1.00 44.47 O HETATM 1243 O HOH 145 48.732 48.732 48.732 1.00 56.29 O HETATM 1244 O HOH 146 39.784 50.948 19.931 1.00 31.40 O HETATM 1245 O HOH 147 44.923 49.686 21.226 1.00 16.27 O HETATM 1246 O HOH 148 34.857 66.336 22.372 1.00 12.81 O HETATM 1247 O HOH 149 41.566 63.820 21.591 1.00 15.84 O HETATM 1248 O HOH 150 38.821 57.915 18.251 1.00 30.37 O HETATM 1249 O HOH 151 39.482 48.268 19.857 1.00 41.97 O HETATM 1250 O HOH 152 41.491 65.090 19.223 1.00 43.66 O HETATM 1251 N LYS A 153 37.230 41.130 25.742 1.00 0.24 N HETATM 1252 CA LYS A 153 37.288 42.155 26.732 1.00 0.06 C HETATM 1253 C LYS A 153 36.389 43.239 26.235 1.00 0.23 C HETATM 1254 O LYS A 153 36.098 44.139 26.963 1.00 -0.39 O HETATM 1255 N LYS A 153 35.991 43.168 24.980 1.00 -0.26 N HETATM 1256 CA LYS A 153 35.173 44.237 24.380 1.00 0.15 C HETATM 1257 C LYS A 153 35.953 45.555 24.253 1.00 0.21 C HETATM 1258 O LYS A 153 35.362 46.569 24.059 1.00 -0.39 O HETATM 1259 N LYS A 153 37.269 45.493 24.382 1.00 -0.26 N HETATM 1260 CA LYS A 153 38.123 46.686 24.404 1.00 0.14 C HETATM 1261 C LYS A 153 37.964 47.618 23.196 1.00 0.21 C HETATM 1262 O LYS A 153 37.915 47.173 22.050 1.00 -0.39 O HETATM 1263 N LYS A 153 37.905 48.918 23.480 1.00 -0.26 N HETATM 1264 CA LYS A 153 37.916 49.958 22.451 1.00 0.13 C HETATM 1265 C LYS A 153 38.523 51.242 23.003 1.00 0.20 C HETATM 1266 O LYS A 153 38.382 51.541 24.197 1.00 -0.39 O HETATM 1267 N LYS A 153 39.194 51.999 22.135 1.00 -0.26 N HETATM 1268 CA LYS A 153 39.645 53.341 22.481 1.00 0.13 C HETATM 1269 C LYS A 153 38.904 54.375 21.678 1.00 0.20 C HETATM 1270 O LYS A 153 38.533 54.138 20.529 1.00 -0.39 O HETATM 1271 N LYS A 153 38.724 55.538 22.282 1.00 -0.26 N HETATM 1272 CA LYS A 153 38.199 56.693 21.553 1.00 0.14 C HETATM 1273 C LYS A 153 38.913 57.969 21.947 1.00 0.21 C HETATM 1274 O LYS A 153 39.189 58.172 23.116 1.00 -0.39 O HETATM 1275 N LYS A 153 39.118 58.851 20.974 1.00 -0.26 N HETATM 1276 CA LYS A 153 39.628 60.193 21.235 1.00 0.15 C HETATM 1277 C LYS A 153 38.446 61.117 21.408 1.00 0.21 C HETATM 1278 O LYS A 153 37.489 61.059 20.620 1.00 -0.39 O HETATM 1279 N LYS A 153 38.516 62.001 22.397 1.00 -0.27 N HETATM 1280 CA LYS A 153 37.427 62.919 22.658 1.00 0.10 C HETATM 1281 C LYS A 153 38.006 64.316 22.812 1.00 0.06 C HETATM 1282 O LYS A 153 37.251 65.287 22.831 1.00 -0.57 O HETATM 1283 OXT LYS A 153 39.229 64.473 22.896 1.00 -0.57 O HETATM 1284 CB LYS A 153 36.614 62.508 23.900 1.00 -0.01 C HETATM 1285 CG1 LYS A 153 35.996 61.121 23.710 1.00 -0.06 C HETATM 1286 H61 LYS A 153 35.421 60.849 24.608 1.00 0.02 H HETATM 1287 H62 LYS A 153 36.795 60.382 23.549 1.00 0.02 H HETATM 1288 H63 LYS A 153 35.327 61.134 22.837 1.00 0.02 H HETATM 1289 CG2 LYS A 153 37.499 62.522 25.130 1.00 -0.06 C HETATM 1290 H64 LYS A 153 37.937 63.523 25.255 1.00 0.02 H HETATM 1291 H65 LYS A 153 38.304 61.782 25.011 1.00 0.02 H HETATM 1292 H66 LYS A 153 36.898 62.271 26.017 1.00 0.02 H HETATM 1293 H60 LYS A 153 35.802 63.236 24.043 1.00 0.03 H HETATM 1294 H59 LYS A 153 36.749 62.913 21.792 1.00 0.07 H HETATM 1295 H58 LYS A 153 39.334 62.033 22.971 1.00 0.19 H HETATM 1296 CB LYS A 153 40.500 60.705 20.084 1.00 0.08 C HETATM 1297 OG LYS A 153 41.642 59.902 19.900 1.00 -0.39 O HETATM 1298 H57 LYS A 153 42.162 59.906 20.695 1.00 0.21 H HETATM 1299 H55 LYS A 153 40.819 61.733 20.309 1.00 0.06 H HETATM 1300 H56 LYS A 153 39.907 60.699 19.157 1.00 0.06 H HETATM 1301 H54 LYS A 153 40.226 60.179 22.158 1.00 0.08 H HETATM 1302 H53 LYS A 153 38.916 58.586 20.031 1.00 0.19 H HETATM 1303 CB LYS A 153 36.716 56.910 21.821 1.00 0.02 C HETATM 1304 CG LYS A 153 35.842 55.796 21.348 1.00 -0.04 C HETATM 1305 CD1 LYS A 153 35.338 55.810 20.064 1.00 -0.06 C HETATM 1306 CE1 LYS A 153 34.505 54.767 19.621 1.00 -0.07 C HETATM 1307 CZ LYS A 153 34.196 53.730 20.474 1.00 -0.07 C HETATM 1308 CE2 LYS A 153 34.697 53.716 21.756 1.00 -0.07 C HETATM 1309 CD2 LYS A 153 35.512 54.750 22.193 1.00 -0.06 C HETATM 1310 H49 LYS A 153 35.895 54.739 23.207 1.00 0.06 H HETATM 1311 H51 LYS A 153 34.455 52.897 22.424 1.00 0.06 H HETATM 1312 H52 LYS A 153 33.557 52.923 20.135 1.00 0.06 H HETATM 1313 H50 LYS A 153 34.108 54.779 18.613 1.00 0.06 H HETATM 1314 H48 LYS A 153 35.584 56.627 19.395 1.00 0.06 H HETATM 1315 H46 LYS A 153 36.404 57.834 21.311 1.00 0.05 H HETATM 1316 H47 LYS A 153 36.574 57.024 22.906 1.00 0.05 H HETATM 1317 H45 LYS A 153 38.346 56.515 20.477 1.00 0.08 H HETATM 1318 H44 LYS A 153 38.950 55.629 23.252 1.00 0.19 H HETATM 1319 CB LYS A 153 41.129 53.535 22.215 1.00 0.00 C HETATM 1320 CG LYS A 153 42.022 52.632 22.971 1.00 0.04 C HETATM 1321 CD LYS A 153 43.124 53.381 23.702 1.00 0.17 C HETATM 1322 OE1 LYS A 153 43.041 54.591 23.932 1.00 -0.40 O HETATM 1323 NE2 LYS A 153 44.169 52.661 24.059 1.00 -0.30 N HETATM 1324 H42 LYS A 153 44.931 53.091 24.544 1.00 0.18 H HETATM 1325 H43 LYS A 153 44.200 51.685 23.845 1.00 0.18 H HETATM 1326 H40 LYS A 153 42.484 51.923 22.268 1.00 0.05 H HETATM 1327 H41 LYS A 153 41.422 52.079 23.709 1.00 0.05 H HETATM 1328 H38 LYS A 153 41.390 54.571 22.477 1.00 0.03 H HETATM 1329 H39 LYS A 153 41.308 53.372 21.142 1.00 0.03 H HETATM 1330 H37 LYS A 153 39.450 53.505 23.551 1.00 0.08 H HETATM 1331 H36 LYS A 153 39.393 51.637 21.224 1.00 0.19 H HETATM 1332 CB LYS A 153 36.499 50.241 21.939 1.00 -0.01 C HETATM 1333 CG LYS A 153 36.019 49.323 20.815 1.00 -0.04 C HETATM 1334 CD LYS A 153 36.782 49.568 19.509 1.00 -0.01 C HETATM 1335 CE LYS A 153 36.430 50.897 18.862 1.00 -0.04 C HETATM 1336 NZ LYS A 153 37.596 51.436 18.110 1.00 0.22 N HETATM 1337 H33 LYS A 153 37.346 52.316 17.688 1.00 0.20 H HETATM 1338 H34 LYS A 153 37.863 50.782 17.391 1.00 0.20 H HETATM 1339 H35 LYS A 153 38.369 51.574 18.742 1.00 0.20 H HETATM 1340 H31 LYS A 153 36.140 51.615 19.644 1.00 0.08 H HETATM 1341 H32 LYS A 153 35.589 50.751 18.169 1.00 0.08 H HETATM 1342 H29 LYS A 153 36.541 48.759 18.804 1.00 0.03 H HETATM 1343 H30 LYS A 153 37.861 49.557 19.725 1.00 0.03 H HETATM 1344 H27 LYS A 153 34.948 49.505 20.640 1.00 0.03 H HETATM 1345 H28 LYS A 153 36.168 48.277 21.122 1.00 0.03 H HETATM 1346 H25 LYS A 153 36.471 51.276 21.568 1.00 0.03 H HETATM 1347 H26 LYS A 153 35.804 50.136 22.785 1.00 0.03 H HETATM 1348 H24 LYS A 153 38.531 49.609 21.609 1.00 0.08 H HETATM 1349 H23 LYS A 153 37.851 49.196 24.439 1.00 0.19 H HETATM 1350 CB LYS A 153 39.580 46.259 24.506 1.00 0.02 C HETATM 1351 CG LYS A 153 40.563 47.327 24.099 1.00 -0.05 C HETATM 1352 CD1 LYS A 153 40.875 48.365 24.967 1.00 -0.07 C HETATM 1353 CE1 LYS A 153 41.777 49.338 24.616 1.00 -0.04 C HETATM 1354 CZ LYS A 153 42.389 49.275 23.389 1.00 0.08 C HETATM 1355 CE2 LYS A 153 42.092 48.260 22.503 1.00 -0.04 C HETATM 1356 CD2 LYS A 153 41.187 47.289 22.868 1.00 -0.07 C HETATM 1357 H19 LYS A 153 40.961 46.483 22.179 1.00 0.05 H HETATM 1358 H21 LYS A 153 42.567 48.227 21.529 1.00 0.05 H HETATM 1359 OH LYS A 153 43.281 50.239 23.064 1.00 -0.34 O HETATM 1360 H22 LYS A 153 44.126 49.841 22.889 1.00 0.25 H HETATM 1361 H20 LYS A 153 42.004 50.148 25.300 1.00 0.05 H HETATM 1362 H18 LYS A 153 40.398 48.407 25.939 1.00 0.05 H HETATM 1363 H16 LYS A 153 39.730 45.385 23.855 1.00 0.05 H HETATM 1364 H17 LYS A 153 39.786 45.979 25.550 1.00 0.05 H HETATM 1365 H15 LYS A 153 37.861 47.262 25.304 1.00 0.08 H HETATM 1366 H14 LYS A 153 37.700 44.595 24.468 1.00 0.19 H HETATM 1367 CB LYS A 153 33.900 44.503 25.164 1.00 0.08 C HETATM 1368 CG LYS A 153 32.947 45.417 24.446 1.00 0.18 C HETATM 1369 OD1 LYS A 153 32.487 46.389 24.987 1.00 -0.40 O HETATM 1370 ND2 LYS A 153 32.597 45.061 23.231 1.00 -0.30 N HETATM 1371 H12 LYS A 153 31.965 45.631 22.706 1.00 0.18 H HETATM 1372 H13 LYS A 153 32.962 44.220 22.832 1.00 0.18 H HETATM 1373 H10 LYS A 153 34.170 44.964 26.125 1.00 0.06 H HETATM 1374 H11 LYS A 153 33.394 43.544 25.347 1.00 0.06 H HETATM 1375 H9 LYS A 153 34.889 43.907 23.370 1.00 0.08 H HETATM 1376 H8 LYS A 153 36.248 42.376 24.426 1.00 0.19 H HETATM 1377 CB LYS A 153 38.693 42.759 26.855 1.00 -0.00 C HETATM 1378 H5 LYS A 153 38.689 43.542 27.628 1.00 0.03 H HETATM 1379 H6 LYS A 153 38.990 43.197 25.890 1.00 0.03 H HETATM 1380 H7 LYS A 153 39.408 41.971 27.135 1.00 0.03 H HETATM 1381 H4 LYS A 153 36.954 41.769 27.706 1.00 0.11 H HETATM 1382 H1 LYS A 153 37.821 40.361 26.019 1.00 0.20 H HETATM 1383 H2 LYS A 153 37.549 41.497 24.859 1.00 0.20 H HETATM 1384 H3 LYS A 153 36.280 40.807 25.648 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1251 1252 1382 1383 1384 CONECT 1252 1251 1253 1377 1381 CONECT 1253 1252 1254 1255 CONECT 1254 1253 CONECT 1255 1253 1256 1376 CONECT 1256 1255 1257 1367 1375 CONECT 1257 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 1260 1366 CONECT 1260 1259 1261 1350 1365 CONECT 1261 1260 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1349 CONECT 1264 1263 1265 1332 1348 CONECT 1265 1264 1266 1267 CONECT 1266 1265 CONECT 1267 1265 1268 1331 CONECT 1268 1267 1269 1319 1330 CONECT 1269 1268 1270 1271 CONECT 1270 1269 CONECT 1271 1269 1272 1318 CONECT 1272 1271 1273 1303 1317 CONECT 1273 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 1276 1302 CONECT 1276 1275 1277 1296 1301 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1295 CONECT 1280 1279 1281 1284 1294 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 CONECT 1284 1280 1285 1289 1293 CONECT 1285 1284 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1284 1290 1291 1292 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1289 CONECT 1293 1284 CONECT 1294 1280 CONECT 1295 1279 CONECT 1296 1276 1297 1299 1300 CONECT 1297 1296 1298 CONECT 1298 1297 CONECT 1299 1296 CONECT 1300 1296 CONECT 1301 1276 CONECT 1302 1275 CONECT 1303 1272 1304 1315 1316 CONECT 1304 1303 1305 1309 CONECT 1305 1304 1306 1314 CONECT 1306 1305 1307 1313 CONECT 1307 1306 1308 1312 CONECT 1308 1307 1309 1311 CONECT 1309 1304 1308 1310 CONECT 1310 1309 CONECT 1311 1308 CONECT 1312 1307 CONECT 1313 1306 CONECT 1314 1305 CONECT 1315 1303 CONECT 1316 1303 CONECT 1317 1272 CONECT 1318 1271 CONECT 1319 1268 1320 1328 1329 CONECT 1320 1319 1321 1326 1327 CONECT 1321 1320 1322 1323 CONECT 1322 1321 CONECT 1323 1321 1324 1325 CONECT 1324 1323 CONECT 1325 1323 CONECT 1326 1320 CONECT 1327 1320 CONECT 1328 1319 CONECT 1329 1319 CONECT 1330 1268 CONECT 1331 1267 CONECT 1332 1264 1333 1346 1347 CONECT 1333 1332 1334 1344 1345 CONECT 1334 1333 1335 1342 1343 CONECT 1335 1334 1336 1340 1341 CONECT 1336 1335 1337 1338 1339 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1336 CONECT 1340 1335 CONECT 1341 1335 CONECT 1342 1334 CONECT 1343 1334 CONECT 1344 1333 CONECT 1345 1333 CONECT 1346 1332 CONECT 1347 1332 CONECT 1348 1264 CONECT 1349 1263 CONECT 1350 1260 1351 1363 1364 CONECT 1351 1350 1352 1356 CONECT 1352 1351 1353 1362 CONECT 1353 1352 1354 1361 CONECT 1354 1353 1355 1359 CONECT 1355 1354 1356 1358 CONECT 1356 1351 1355 1357 CONECT 1357 1356 CONECT 1358 1355 CONECT 1359 1354 1360 CONECT 1360 1359 CONECT 1361 1353 CONECT 1362 1352 CONECT 1363 1350 CONECT 1364 1350 CONECT 1365 1260 CONECT 1366 1259 CONECT 1367 1256 1368 1373 1374 CONECT 1368 1367 1369 1370 CONECT 1369 1368 CONECT 1370 1368 1371 1372 CONECT 1371 1370 CONECT 1372 1370 CONECT 1373 1367 CONECT 1374 1367 CONECT 1375 1256 CONECT 1376 1255 CONECT 1377 1252 1378 1379 1380 CONECT 1378 1377 CONECT 1379 1377 CONECT 1380 1377 CONECT 1381 1252 CONECT 1382 1251 CONECT 1383 1251 CONECT 1384 1251 MASTER 0 0 0 0 0 0 0 0 1383 1 138 10 END
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Related entries of code: 5hed
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
119aa, >5HEB_1|Chain... *
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RCSB PDB
PDBbind
119aa, >5HEY_1|Chain... at 99%
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RCSB PDB
PDBbind
119aa, >5HF1_1|Chain... at 99%
5hfb
RCSB PDB
PDBbind
119aa, >5HFB_1|Chain... at 99%
5hfc
RCSB PDB
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119aa, >5HFC_1|Chain... at 99%
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RCSB PDB
PDBbind
119aa, >5HFF_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
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
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3cii
RCSB PDB
PDBbind
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3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
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3d25
RCSB PDB
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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
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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
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
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
5hed
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=36uM
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
4
H
6
7
N
1
1
O
1
3
Molecular Weight
958.069
Exact Mass
957.492
No. of atoms
135
No. of bonds
136
Polar Surface Area
422.92
LOGP Value
-4.07 (
Computed with XLOGP3
)
-1.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 24
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)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)N)Cc1ccc(cc1)O
InChI String
InChI=1S/C44H65N11O13/c1-23(2)36(44(67)68)55-43(66)33(22-56)54-41(64)30(19-25-9-5-4-6-10-25)52-39(62)29(16-17-34(47)58)50-38(61)28(11-7-8-18-45)49-40(63)31(20-26-12-14-27(57)15-13-26)53-42(65)32(21-35(48)59)51-37(60)24(3)46/h4-6,9-10,12-15,23-24,28-33,36,56-57H,7-8,11,16-22,45-46H2,1-3H3,(H2,47,58)(H2,48,59)(H,49,63)(H,50,61)(H,51,60)(H,52,62)(H,53,65)(H,54,64)(H,55,66)(H,67,68)/p+2/t24-,28-,29-,30-,31-,32-,33-,36-/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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