Browse entries in the PDBbind-CN Database
HEADER 5HEY_COMPLEX COMPND 5HEY_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 THR 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 265 140 ATOM 1 N SER A 298 49.388 71.894 36.195 1.00 32.84 N ATOM 2 CA SER A 298 50.786 71.763 36.559 1.00 31.77 C ATOM 3 C SER A 298 50.915 70.626 37.583 1.00 32.73 C ATOM 4 O SER A 298 49.971 70.337 38.324 1.00 34.12 O ATOM 5 CB SER A 298 51.338 73.090 37.111 1.00 30.82 C ATOM 6 OG SER A 298 50.466 73.636 38.088 1.00 31.82 O ATOM 7 HG SER A 298 49.580 73.805 37.680 1.00 0.00 H ATOM 8 HN3 SER A 298 48.829 72.114 37.044 1.00 0.00 H ATOM 9 HN2 SER A 298 49.054 71.001 35.780 1.00 0.00 H ATOM 10 HN1 SER A 298 49.282 72.661 35.501 1.00 0.00 H ATOM 11 N PRO A 299 52.081 69.959 37.610 1.00 32.01 N ATOM 12 CA PRO A 299 52.366 68.951 38.640 1.00 32.76 C ATOM 13 C PRO A 299 52.159 69.504 40.058 1.00 33.34 C ATOM 14 O PRO A 299 52.542 70.645 40.337 1.00 32.52 O ATOM 15 CB PRO A 299 53.843 68.602 38.382 1.00 31.45 C ATOM 16 CG PRO A 299 54.039 68.899 36.923 1.00 30.41 C ATOM 17 CD PRO A 299 53.206 70.117 36.667 1.00 30.42 C ATOM 18 N GLU A 300 51.552 68.705 40.934 1.00 34.75 N ATOM 19 CA GLU A 300 51.197 69.150 42.277 1.00 35.51 C ATOM 20 C GLU A 300 51.685 68.179 43.350 1.00 36.06 C ATOM 21 O GLU A 300 52.175 68.594 44.396 1.00 35.89 O ATOM 22 CB GLU A 300 49.680 69.313 42.388 1.00 41.79 C ATOM 23 CG GLU A 300 49.182 69.769 43.744 1.00 50.86 C ATOM 24 CD GLU A 300 47.672 69.913 43.766 1.00 59.09 C ATOM 25 OE1 GLU A 300 47.126 70.349 44.802 1.00 62.84 O ATOM 26 OE2 GLU A 300 47.034 69.584 42.741 1.00 61.27 O ATOM 27 H GLU A 300 51.323 67.731 40.651 1.00 0.00 H ATOM 28 N PHE A 301 51.519 66.885 43.090 1.00 34.66 N ATOM 29 CA PHE A 301 51.922 65.851 44.035 1.00 35.58 C ATOM 30 C PHE A 301 53.228 65.282 43.533 1.00 35.84 C ATOM 31 O PHE A 301 53.276 64.606 42.505 1.00 35.84 O ATOM 32 CB PHE A 301 50.817 64.808 44.165 1.00 36.06 C ATOM 33 CG PHE A 301 49.473 65.434 44.362 1.00 35.66 C ATOM 34 CD1 PHE A 301 49.135 65.999 45.586 1.00 35.76 C ATOM 35 CD2 PHE A 301 48.582 65.533 43.310 1.00 35.15 C ATOM 36 CE1 PHE A 301 47.909 66.619 45.763 1.00 35.37 C ATOM 37 CE2 PHE A 301 47.350 66.143 43.482 1.00 34.77 C ATOM 38 CZ PHE A 301 47.017 66.688 44.698 1.00 34.87 C ATOM 39 H PHE A 301 51.089 66.603 42.186 1.00 0.00 H ATOM 40 N LEU A 302 54.291 65.616 44.252 1.00 36.03 N ATOM 41 CA LEU A 302 55.642 65.448 43.763 1.00 36.10 C ATOM 42 C LEU A 302 56.308 64.264 44.408 1.00 37.02 C ATOM 43 O LEU A 302 55.814 63.749 45.406 1.00 37.60 O ATOM 44 CB LEU A 302 56.437 66.706 44.035 1.00 35.62 C ATOM 45 CG LEU A 302 55.717 67.983 43.597 1.00 34.71 C ATOM 46 CD1 LEU A 302 56.623 69.158 43.779 1.00 34.25 C ATOM 47 CD2 LEU A 302 55.260 67.900 42.151 1.00 34.21 C ATOM 48 H LEU A 302 54.148 66.013 45.202 1.00 0.00 H ATOM 49 N GLY A 303 57.412 63.826 43.814 1.00 38.59 N ATOM 50 CA GLY A 303 58.193 62.729 44.345 1.00 41.66 C ATOM 51 C GLY A 303 57.360 61.515 44.689 1.00 41.62 C ATOM 52 O GLY A 303 56.745 60.897 43.825 1.00 40.51 O ATOM 53 H GLY A 303 57.726 64.287 42.937 1.00 0.00 H ATOM 54 N GLU A 304 57.354 61.169 45.968 1.00 43.55 N ATOM 55 CA GLU A 304 56.598 60.022 46.437 1.00 48.01 C ATOM 56 C GLU A 304 55.395 60.470 47.236 1.00 44.23 C ATOM 57 O GLU A 304 54.809 59.675 47.973 1.00 43.76 O ATOM 58 CB GLU A 304 57.479 59.105 47.286 1.00 58.68 C ATOM 59 CG GLU A 304 58.530 58.364 46.481 1.00 67.95 C ATOM 60 CD GLU A 304 59.538 57.650 47.357 1.00 76.26 C ATOM 61 OE1 GLU A 304 59.140 57.136 48.423 1.00 79.83 O ATOM 62 OE2 GLU A 304 60.728 57.610 46.983 1.00 78.45 O ATOM 63 H GLU A 304 57.902 61.731 46.650 1.00 0.00 H ATOM 64 N GLU A 305 55.012 61.738 47.094 1.00 24.66 N ATOM 65 CA GLU A 305 53.783 62.198 47.714 1.00 22.26 C ATOM 66 C GLU A 305 52.633 61.409 47.114 1.00 21.09 C ATOM 67 O GLU A 305 52.529 61.278 45.902 1.00 20.09 O ATOM 68 CB GLU A 305 53.588 63.703 47.510 1.00 21.97 C ATOM 69 CG GLU A 305 54.560 64.551 48.313 1.00 25.23 C ATOM 70 CD GLU A 305 54.674 65.985 47.817 1.00 27.39 C ATOM 71 OE1 GLU A 305 53.771 66.445 47.082 1.00 25.76 O ATOM 72 OE2 GLU A 305 55.674 66.645 48.164 1.00 30.20 O ATOM 73 H GLU A 305 55.593 62.398 46.539 1.00 0.00 H ATOM 74 N ASP A 306 51.765 60.884 47.962 1.00 22.54 N ATOM 75 CA ASP A 306 50.662 60.073 47.470 1.00 24.62 C ATOM 76 C ASP A 306 49.741 60.904 46.590 1.00 21.28 C ATOM 77 O ASP A 306 49.472 62.074 46.863 1.00 21.53 O ATOM 78 CB ASP A 306 49.881 59.461 48.627 1.00 31.06 C ATOM 79 CG ASP A 306 50.678 58.400 49.375 1.00 38.52 C ATOM 80 OD1 ASP A 306 51.683 57.887 48.824 1.00 39.84 O ATOM 81 OD2 ASP A 306 50.296 58.080 50.520 1.00 42.33 O ATOM 82 H ASP A 306 51.871 61.051 48.983 1.00 0.00 H ATOM 83 N ILE A 307 49.280 60.292 45.509 1.00 18.23 N ATOM 84 CA ILE A 307 48.294 60.928 44.652 1.00 16.90 C ATOM 85 C ILE A 307 46.922 60.760 45.300 1.00 15.49 C ATOM 86 O ILE A 307 46.534 59.642 45.639 1.00 15.07 O ATOM 87 CB ILE A 307 48.328 60.338 43.265 1.00 16.75 C ATOM 88 CG1 ILE A 307 49.702 60.565 42.616 1.00 20.23 C ATOM 89 CG2 ILE A 307 47.215 60.929 42.422 1.00 14.00 C ATOM 90 CD1 ILE A 307 49.891 59.807 41.354 1.00 21.52 C ATOM 91 H ILE A 307 49.629 59.342 45.270 1.00 0.00 H ATOM 92 N PRO A 308 46.186 61.855 45.501 1.00 15.76 N ATOM 93 CA PRO A 308 44.871 61.784 46.149 1.00 14.86 C ATOM 94 C PRO A 308 43.906 60.855 45.439 1.00 13.93 C ATOM 95 O PRO A 308 43.822 60.870 44.219 1.00 13.93 O ATOM 96 CB PRO A 308 44.372 63.228 46.096 1.00 16.83 C ATOM 97 CG PRO A 308 45.616 64.024 46.054 1.00 18.93 C ATOM 98 CD PRO A 308 46.574 63.255 45.237 1.00 18.51 C ATOM 99 N ARG A 309 43.182 60.056 46.215 1.00 13.81 N ATOM 100 CA ARG A 309 42.305 59.059 45.642 1.00 12.56 C ATOM 101 C ARG A 309 40.826 59.397 45.812 1.00 11.83 C ATOM 102 O ARG A 309 39.968 58.671 45.321 1.00 12.14 O ATOM 103 CB ARG A 309 42.620 57.681 46.228 1.00 12.78 C ATOM 104 CG ARG A 309 43.859 57.050 45.542 1.00 15.21 C ATOM 105 CD ARG A 309 44.321 55.886 46.316 1.00 17.70 C ATOM 106 NE ARG A 309 45.516 55.283 45.737 1.00 18.13 N ATOM 107 CZ ARG A 309 45.518 54.292 44.855 1.00 16.60 C ATOM 108 NH1 ARG A 309 44.382 53.770 44.398 1.00 14.94 N ATOM 109 NH2 ARG A 309 46.673 53.813 44.435 1.00 16.87 N ATOM 110 HE ARG A 309 46.438 55.659 46.039 1.00 0.00 H ATOM 111 HH12 ARG A 309 44.408 52.993 43.707 1.00 0.00 H ATOM 112 HH11 ARG A 309 43.469 54.139 44.732 1.00 0.00 H ATOM 113 HH22 ARG A 309 46.693 53.036 43.744 1.00 0.00 H ATOM 114 HH21 ARG A 309 47.563 54.212 44.795 1.00 0.00 H ATOM 115 H ARG A 309 43.247 60.149 47.249 1.00 0.00 H ATOM 116 N GLU A 310 40.525 60.537 46.415 1.00 12.61 N ATOM 117 CA GLU A 310 39.126 60.983 46.493 1.00 12.86 C ATOM 118 C GLU A 310 38.655 61.593 45.172 1.00 10.76 C ATOM 119 O GLU A 310 39.466 62.048 44.376 1.00 11.26 O ATOM 120 CB GLU A 310 38.920 62.007 47.612 1.00 20.89 C ATOM 121 CG GLU A 310 40.026 62.993 47.791 1.00 30.11 C ATOM 122 CD GLU A 310 41.171 62.387 48.593 1.00 36.05 C ATOM 123 OE1 GLU A 310 42.275 62.306 48.040 1.00 35.54 O ATOM 124 OE2 GLU A 310 40.963 61.941 49.746 1.00 41.18 O ATOM 125 H GLU A 310 41.279 61.118 46.834 1.00 0.00 H ATOM 126 N PRO A 311 37.329 61.647 44.958 1.00 11.59 N ATOM 127 CA PRO A 311 36.849 62.317 43.747 1.00 11.95 C ATOM 128 C PRO A 311 37.145 63.811 43.763 1.00 11.48 C ATOM 129 O PRO A 311 37.127 64.416 44.856 1.00 12.46 O ATOM 130 CB PRO A 311 35.338 62.068 43.760 1.00 14.21 C ATOM 131 CG PRO A 311 35.103 60.994 44.756 1.00 15.35 C ATOM 132 CD PRO A 311 36.223 61.097 45.756 1.00 13.20 C ATOM 133 N ARG A 312 37.355 64.371 42.582 1.00 10.66 N ATOM 134 CA ARG A 312 37.642 65.778 42.378 1.00 11.24 C ATOM 135 C ARG A 312 36.746 66.301 41.295 1.00 11.29 C ATOM 136 O ARG A 312 36.350 65.553 40.403 1.00 10.58 O ATOM 137 CB ARG A 312 39.087 66.024 41.935 1.00 13.17 C ATOM 138 CG ARG A 312 40.141 65.489 42.863 1.00 15.47 C ATOM 139 CD ARG A 312 40.879 64.319 42.256 1.00 15.01 C ATOM 140 NE ARG A 312 41.430 64.632 40.939 1.00 13.40 N ATOM 141 CZ ARG A 312 41.695 63.728 40.011 1.00 12.16 C ATOM 142 NH1 ARG A 312 41.469 62.442 40.245 1.00 11.20 N ATOM 143 NH2 ARG A 312 42.172 64.117 38.843 1.00 13.60 N ATOM 144 HE ARG A 312 41.626 65.629 40.718 1.00 0.00 H ATOM 145 HH12 ARG A 312 41.679 61.735 39.512 1.00 0.00 H ATOM 146 HH11 ARG A 312 41.082 62.141 41.162 1.00 0.00 H ATOM 147 HH22 ARG A 312 42.383 63.413 38.107 1.00 0.00 H ATOM 148 HH21 ARG A 312 42.336 65.127 38.659 1.00 0.00 H ATOM 149 H ARG A 312 37.311 63.759 41.742 1.00 0.00 H ATOM 150 N ARG A 313 36.477 67.598 41.369 1.00 12.04 N ATOM 151 CA ARG A 313 35.728 68.307 40.348 1.00 12.31 C ATOM 152 C ARG A 313 36.682 69.107 39.487 1.00 12.84 C ATOM 153 O ARG A 313 37.433 69.916 39.999 1.00 14.51 O ATOM 154 CB ARG A 313 34.699 69.238 40.980 1.00 13.07 C ATOM 155 CG ARG A 313 33.836 69.938 39.949 1.00 14.39 C ATOM 156 CD ARG A 313 32.853 70.904 40.555 1.00 16.54 C ATOM 157 NE ARG A 313 31.903 70.207 41.412 1.00 18.52 N ATOM 158 CZ ARG A 313 31.967 70.159 42.740 1.00 20.72 C ATOM 159 NH1 ARG A 313 32.944 70.765 43.415 1.00 20.95 N ATOM 160 NH2 ARG A 313 31.041 69.487 43.409 1.00 22.77 N ATOM 161 HE ARG A 313 31.115 69.709 40.951 1.00 0.00 H ATOM 162 HH12 ARG A 313 32.970 70.711 44.453 1.00 0.00 H ATOM 163 HH11 ARG A 313 33.681 71.292 42.903 1.00 0.00 H ATOM 164 HH22 ARG A 313 31.080 69.442 44.447 1.00 0.00 H ATOM 165 HH21 ARG A 313 30.276 69.005 42.896 1.00 0.00 H ATOM 166 H ARG A 313 36.818 68.130 42.195 1.00 0.00 H ATOM 167 N ILE A 314 36.613 68.892 38.181 1.00 11.55 N ATOM 168 CA ILE A 314 37.435 69.594 37.191 1.00 10.94 C ATOM 169 C ILE A 314 36.504 70.306 36.226 1.00 12.18 C ATOM 170 O ILE A 314 35.582 69.680 35.671 1.00 13.66 O ATOM 171 CB ILE A 314 38.341 68.621 36.431 1.00 11.59 C ATOM 172 CG1 ILE A 314 39.393 67.979 37.346 1.00 13.72 C ATOM 173 CG2 ILE A 314 39.038 69.329 35.302 1.00 13.66 C ATOM 174 CD1 ILE A 314 38.927 66.744 38.069 1.00 15.44 C ATOM 175 H ILE A 314 35.935 68.182 37.838 1.00 0.00 H ATOM 176 N VAL A 315 36.718 71.599 36.022 1.00 12.59 N ATOM 177 CA VAL A 315 35.922 72.339 35.049 1.00 13.73 C ATOM 178 C VAL A 315 36.843 72.784 33.936 1.00 14.87 C ATOM 179 O VAL A 315 37.786 73.522 34.160 1.00 16.50 O ATOM 180 CB VAL A 315 35.179 73.538 35.693 1.00 16.81 C ATOM 181 CG1 VAL A 315 34.264 74.218 34.667 1.00 19.84 C ATOM 182 CG2 VAL A 315 34.353 73.071 36.854 1.00 17.23 C ATOM 183 H VAL A 315 37.460 72.090 36.561 1.00 0.00 H ATOM 184 N ILE A 316 36.564 72.308 32.736 1.00 13.09 N ATOM 185 CA ILE A 316 37.319 72.692 31.541 1.00 14.91 C ATOM 186 C ILE A 316 36.499 73.596 30.639 1.00 16.68 C ATOM 187 O ILE A 316 35.386 73.281 30.285 1.00 16.10 O ATOM 188 CB ILE A 316 37.764 71.436 30.779 1.00 14.84 C ATOM 189 CG1 ILE A 316 38.731 70.608 31.631 1.00 16.45 C ATOM 190 CG2 ILE A 316 38.421 71.799 29.464 1.00 14.27 C ATOM 191 CD1 ILE A 316 38.955 69.219 31.118 1.00 16.92 C ATOM 192 H ILE A 316 35.778 71.635 32.636 1.00 0.00 H ATOM 193 N HIS A 317 37.079 74.718 30.249 1.00 18.06 N ATOM 194 CA HIS A 317 36.440 75.606 29.293 1.00 20.93 C ATOM 195 C HIS A 317 37.157 75.418 27.970 1.00 20.75 C ATOM 196 O HIS A 317 38.334 75.757 27.855 1.00 22.38 O ATOM 197 CB HIS A 317 36.502 77.044 29.783 1.00 26.59 C ATOM 198 CG HIS A 317 35.982 77.217 31.169 1.00 29.61 C ATOM 199 ND1 HIS A 317 34.635 77.261 31.458 1.00 31.28 N ATOM 200 CD2 HIS A 317 36.624 77.324 32.355 1.00 31.04 C ATOM 201 CE1 HIS A 317 34.471 77.404 32.759 1.00 32.53 C ATOM 202 NE2 HIS A 317 35.664 77.450 33.325 1.00 32.53 N ATOM 203 H HIS A 317 38.012 74.970 30.634 1.00 0.00 H ATOM 204 N ARG A 318 36.473 74.841 26.980 1.00 19.06 N ATOM 205 CA ARG A 318 37.138 74.482 25.738 1.00 18.64 C ATOM 206 C ARG A 318 36.434 75.033 24.508 1.00 18.91 C ATOM 207 O ARG A 318 36.791 74.691 23.384 1.00 20.01 O ATOM 208 CB ARG A 318 37.270 72.957 25.602 1.00 17.88 C ATOM 209 CG ARG A 318 36.002 72.153 25.837 1.00 16.94 C ATOM 210 CD ARG A 318 35.022 72.216 24.709 1.00 17.43 C ATOM 211 NE ARG A 318 33.927 71.278 24.943 1.00 15.32 N ATOM 212 CZ ARG A 318 33.882 70.019 24.513 1.00 14.32 C ATOM 213 NH1 ARG A 318 34.867 69.512 23.818 1.00 12.97 N ATOM 214 NH2 ARG A 318 32.845 69.257 24.812 1.00 15.11 N ATOM 215 HE ARG A 318 33.114 71.623 25.492 1.00 0.00 H ATOM 216 HH12 ARG A 318 34.818 68.527 23.489 1.00 0.00 H ATOM 217 HH11 ARG A 318 35.699 70.094 23.595 1.00 0.00 H ATOM 218 HH22 ARG A 318 32.809 68.273 24.477 1.00 0.00 H ATOM 219 HH21 ARG A 318 32.065 69.641 25.383 1.00 0.00 H ATOM 220 H ARG A 318 35.458 74.647 27.098 1.00 0.00 H ATOM 221 N GLY A 319 35.434 75.873 24.700 1.00 18.06 N ATOM 222 CA GLY A 319 34.742 76.431 23.539 1.00 19.35 C ATOM 223 C GLY A 319 34.215 75.346 22.614 1.00 18.77 C ATOM 224 O GLY A 319 33.507 74.436 23.063 1.00 19.05 O ATOM 225 H GLY A 319 35.142 76.134 25.663 1.00 0.00 H ATOM 226 N SER A 320 34.530 75.458 21.323 1.00 17.15 N ATOM 227 CA SER A 320 34.188 74.427 20.343 1.00 16.12 C ATOM 228 C SER A 320 35.449 73.723 19.798 1.00 15.26 C ATOM 229 O SER A 320 35.645 73.571 18.595 1.00 15.62 O ATOM 230 CB SER A 320 33.357 75.032 19.222 1.00 18.49 C ATOM 231 OG SER A 320 32.109 75.479 19.718 1.00 20.75 O ATOM 232 HG SER A 320 31.617 74.714 20.108 1.00 0.00 H ATOM 233 H SER A 320 35.036 76.308 21.002 1.00 0.00 H ATOM 234 N THR A 321 36.321 73.293 20.713 1.00 16.40 N ATOM 235 CA THR A 321 37.468 72.460 20.374 1.00 16.36 C ATOM 236 C THR A 321 37.400 71.156 21.171 1.00 14.91 C ATOM 237 O THR A 321 36.588 71.013 22.076 1.00 14.30 O ATOM 238 CB THR A 321 38.830 73.148 20.681 1.00 18.66 C ATOM 239 OG1 THR A 321 38.951 73.360 22.096 1.00 17.96 O ATOM 240 CG2 THR A 321 38.961 74.472 19.942 1.00 21.01 C ATOM 241 HG1 THR A 321 38.211 73.939 22.406 1.00 0.00 H ATOM 242 H THR A 321 36.176 73.563 21.707 1.00 0.00 H ATOM 243 N GLY A 322 38.264 70.204 20.840 1.00 15.18 N ATOM 244 CA GLY A 322 38.370 68.977 21.612 1.00 15.70 C ATOM 245 C GLY A 322 38.860 69.200 23.026 1.00 15.17 C ATOM 246 O GLY A 322 39.520 70.197 23.310 1.00 15.94 O ATOM 247 H GLY A 322 38.878 70.339 20.011 1.00 0.00 H ATOM 248 N LEU A 323 38.553 68.259 23.917 1.00 12.98 N ATOM 249 CA LEU A 323 39.024 68.325 25.293 1.00 12.87 C ATOM 250 C LEU A 323 40.509 68.031 25.412 1.00 12.81 C ATOM 251 O LEU A 323 41.149 68.507 26.347 1.00 14.48 O ATOM 252 CB LEU A 323 38.262 67.344 26.178 1.00 13.32 C ATOM 253 CG LEU A 323 36.845 67.821 26.445 1.00 13.72 C ATOM 254 CD1 LEU A 323 35.960 66.662 26.806 1.00 12.29 C ATOM 255 CD2 LEU A 323 36.839 68.845 27.555 1.00 15.33 C ATOM 256 H LEU A 323 37.961 67.456 23.622 1.00 0.00 H ATOM 257 N GLY A 324 41.069 67.253 24.486 1.00 12.25 N ATOM 258 CA GLY A 324 42.493 66.966 24.547 1.00 11.95 C ATOM 259 C GLY A 324 42.871 65.835 25.484 1.00 11.70 C ATOM 260 O GLY A 324 43.920 65.893 26.162 1.00 11.76 O ATOM 261 H GLY A 324 40.489 66.852 23.722 1.00 0.00 H ATOM 262 N PHE A 325 42.057 64.791 25.525 1.00 9.84 N ATOM 263 CA PHE A 325 42.469 63.561 26.195 1.00 10.71 C ATOM 264 C PHE A 325 41.802 62.364 25.556 1.00 10.71 C ATOM 265 O PHE A 325 40.837 62.497 24.799 1.00 12.03 O ATOM 266 CB PHE A 325 42.220 63.632 27.719 1.00 10.03 C ATOM 267 CG PHE A 325 40.765 63.710 28.168 1.00 9.20 C ATOM 268 CD1 PHE A 325 40.017 62.569 28.413 1.00 9.99 C ATOM 269 CD2 PHE A 325 40.202 64.929 28.495 1.00 9.88 C ATOM 270 CE1 PHE A 325 38.727 62.659 28.891 1.00 10.94 C ATOM 271 CE2 PHE A 325 38.903 65.010 28.989 1.00 10.65 C ATOM 272 CZ PHE A 325 38.174 63.891 29.187 1.00 10.85 C ATOM 273 H PHE A 325 41.120 64.848 25.078 1.00 0.00 H ATOM 274 N ASN A 326 42.356 61.188 25.826 1.00 10.58 N ATOM 275 CA ASN A 326 41.764 59.951 25.361 1.00 11.65 C ATOM 276 C ASN A 326 41.101 59.219 26.504 1.00 10.82 C ATOM 277 O ASN A 326 41.507 59.333 27.667 1.00 10.63 O ATOM 278 CB ASN A 326 42.807 59.036 24.728 1.00 14.17 C ATOM 279 CG ASN A 326 43.544 59.695 23.606 1.00 17.28 C ATOM 280 OD1 ASN A 326 43.052 60.641 22.990 1.00 18.88 O ATOM 281 ND2 ASN A 326 44.725 59.189 23.310 1.00 18.45 N ATOM 282 HD22 ASN A 326 45.100 58.389 23.859 1.00 0.00 H ATOM 283 HD21 ASN A 326 45.281 59.590 22.528 1.00 0.00 H ATOM 284 H ASN A 326 43.234 61.155 26.383 1.00 0.00 H ATOM 285 N ILE A 327 40.069 58.462 26.154 1.00 11.55 N ATOM 286 CA ILE A 327 39.426 57.554 27.088 1.00 11.89 C ATOM 287 C ILE A 327 39.526 56.116 26.614 1.00 13.03 C ATOM 288 O ILE A 327 39.506 55.827 25.402 1.00 13.09 O ATOM 289 CB ILE A 327 37.953 57.917 27.307 1.00 12.12 C ATOM 290 CG1 ILE A 327 37.183 57.941 25.974 1.00 13.75 C ATOM 291 CG2 ILE A 327 37.840 59.231 28.068 1.00 13.99 C ATOM 292 CD1 ILE A 327 35.677 58.003 26.155 1.00 15.10 C ATOM 293 H ILE A 327 39.709 58.521 25.180 1.00 0.00 H ATOM 294 N VAL A 328 39.623 55.200 27.577 1.00 12.48 N ATOM 295 CA VAL A 328 39.602 53.757 27.336 1.00 13.69 C ATOM 296 C VAL A 328 38.529 53.116 28.216 1.00 14.12 C ATOM 297 O VAL A 328 38.234 53.623 29.299 1.00 13.41 O ATOM 298 CB VAL A 328 40.980 53.086 27.611 1.00 14.88 C ATOM 299 CG1 VAL A 328 42.001 53.578 26.654 1.00 16.54 C ATOM 300 CG2 VAL A 328 41.442 53.332 29.049 1.00 14.57 C ATOM 301 H VAL A 328 39.719 55.531 28.558 1.00 0.00 H ATOM 302 N GLY A 329 37.965 51.994 27.774 1.00 15.98 N ATOM 303 CA GLY A 329 36.930 51.314 28.540 1.00 19.48 C ATOM 304 C GLY A 329 36.261 50.151 27.829 1.00 23.22 C ATOM 305 O GLY A 329 35.664 50.318 26.765 1.00 27.29 O ATOM 306 H GLY A 329 38.270 51.595 26.863 1.00 0.00 H ATOM 307 N THR A 330 36.338 48.982 28.467 1.00 32.31 N ATOM 308 CA THR A 330 36.008 47.696 27.890 1.00 41.37 C ATOM 309 C THR A 330 34.504 47.549 27.737 1.00 50.45 C ATOM 310 O THR A 330 33.903 48.184 26.872 1.00 45.95 O ATOM 311 CB THR A 330 36.572 46.574 28.765 1.00 44.71 C ATOM 312 OG1 THR A 330 36.174 46.799 30.124 1.00 46.57 O ATOM 313 CG2 THR A 330 38.086 46.566 28.701 1.00 44.78 C ATOM 314 HG1 THR A 330 36.527 47.672 30.430 1.00 0.00 H ATOM 315 H THR A 330 36.660 48.996 29.456 1.00 0.00 H ATOM 316 N GLU A 331 33.888 46.732 28.581 1.00 65.86 N ATOM 317 CA GLU A 331 32.448 46.557 28.502 1.00 78.79 C ATOM 318 C GLU A 331 31.830 47.821 29.050 1.00 74.85 C ATOM 319 O GLU A 331 32.526 48.758 29.450 1.00 78.19 O ATOM 320 CB GLU A 331 31.934 45.347 29.304 1.00 88.71 C ATOM 321 H GLU A 331 34.436 46.217 29.299 1.00 0.00 H ATOM 322 N ASP A 332 30.555 47.785 29.170 1.00 67.05 N ATOM 323 CA ASP A 332 29.928 48.768 29.910 1.00 62.50 C ATOM 324 C ASP A 332 30.091 48.211 31.267 1.00 63.67 C ATOM 325 O ASP A 332 30.113 47.028 31.448 1.00 59.08 O ATOM 326 CB ASP A 332 28.427 48.891 29.593 1.00 63.42 C ATOM 327 CG ASP A 332 28.047 48.327 28.261 1.00 64.78 C ATOM 328 OD1 ASP A 332 28.945 48.268 27.391 1.00 64.82 O ATOM 329 OD2 ASP A 332 26.877 47.961 28.099 1.00 65.61 O ATOM 330 H ASP A 332 30.002 47.029 28.718 1.00 0.00 H ATOM 331 N GLY A 333 30.176 49.122 32.199 1.00 69.34 N ATOM 332 CA GLY A 333 30.019 48.862 33.576 1.00 70.18 C ATOM 333 C GLY A 333 31.480 48.741 34.048 1.00 61.22 C ATOM 334 O GLY A 333 31.821 49.855 34.396 1.00 71.49 O ATOM 335 H GLY A 333 30.372 50.101 31.907 1.00 0.00 H ATOM 336 N GLU A 334 32.679 48.455 33.433 1.00 50.31 N ATOM 337 CA GLU A 334 33.927 48.229 34.086 1.00 44.39 C ATOM 338 C GLU A 334 34.693 49.625 34.295 1.00 37.57 C ATOM 339 O GLU A 334 35.371 49.762 35.238 1.00 36.35 O ATOM 340 CB GLU A 334 34.766 47.269 33.307 1.00 46.30 C ATOM 341 CG GLU A 334 34.376 45.823 33.441 1.00 49.22 C ATOM 342 CD GLU A 334 33.379 45.406 32.424 1.00 51.48 C ATOM 343 OE1 GLU A 334 32.691 44.443 32.696 1.00 53.15 O ATOM 344 OE2 GLU A 334 33.284 46.035 31.381 1.00 51.01 O ATOM 345 H GLU A 334 32.674 48.399 32.395 1.00 0.00 H ATOM 346 N GLY A 335 34.193 50.693 33.709 1.00 30.03 N ATOM 347 CA GLY A 335 34.707 52.042 33.894 1.00 18.90 C ATOM 348 C GLY A 335 35.275 52.678 32.643 1.00 15.22 C ATOM 349 O GLY A 335 35.728 51.965 31.749 1.00 15.83 O ATOM 350 H GLY A 335 33.380 50.564 33.074 1.00 0.00 H ATOM 351 N ILE A 336 35.213 54.010 32.581 1.00 10.21 N ATOM 352 CA ILE A 336 35.830 54.802 31.517 1.00 10.45 C ATOM 353 C ILE A 336 37.014 55.531 32.117 1.00 10.10 C ATOM 354 O ILE A 336 36.847 56.275 33.078 1.00 9.96 O ATOM 355 CB ILE A 336 34.824 55.794 30.908 1.00 12.80 C ATOM 356 CG1 ILE A 336 33.565 55.069 30.391 1.00 14.20 C ATOM 357 CG2 ILE A 336 35.481 56.610 29.792 1.00 13.41 C ATOM 358 CD1 ILE A 336 33.851 54.058 29.323 1.00 15.37 C ATOM 359 H ILE A 336 34.697 54.513 33.331 1.00 0.00 H ATOM 360 N PHE A 337 38.214 55.328 31.573 1.00 9.51 N ATOM 361 CA PHE A 337 39.431 55.864 32.165 1.00 9.42 C ATOM 362 C PHE A 337 40.175 56.762 31.188 1.00 10.03 C ATOM 363 O PHE A 337 40.129 56.544 29.984 1.00 10.59 O ATOM 364 CB PHE A 337 40.364 54.729 32.611 1.00 10.60 C ATOM 365 CG PHE A 337 39.739 53.798 33.602 1.00 11.01 C ATOM 366 CD1 PHE A 337 38.980 52.719 33.176 1.00 12.41 C ATOM 367 CD2 PHE A 337 39.857 54.014 34.962 1.00 12.05 C ATOM 368 CE1 PHE A 337 38.400 51.861 34.071 1.00 13.27 C ATOM 369 CE2 PHE A 337 39.253 53.142 35.858 1.00 13.26 C ATOM 370 CZ PHE A 337 38.522 52.082 35.413 1.00 13.46 C ATOM 371 H PHE A 337 38.283 54.769 30.698 1.00 0.00 H ATOM 372 N ILE A 338 40.868 57.761 31.716 1.00 9.09 N ATOM 373 CA ILE A 338 41.768 58.596 30.919 1.00 9.49 C ATOM 374 C ILE A 338 43.073 57.858 30.678 1.00 9.86 C ATOM 375 O ILE A 338 43.766 57.451 31.606 1.00 10.70 O ATOM 376 CB ILE A 338 42.009 59.938 31.619 1.00 10.60 C ATOM 377 CG1 ILE A 338 40.670 60.659 31.804 1.00 12.97 C ATOM 378 CG2 ILE A 338 43.037 60.785 30.870 1.00 10.86 C ATOM 379 CD1 ILE A 338 40.787 62.039 32.389 1.00 15.39 C ATOM 380 H ILE A 338 40.769 57.958 32.732 1.00 0.00 H ATOM 381 N SER A 339 43.425 57.682 29.409 1.00 11.73 N ATOM 382 CA SER A 339 44.649 56.977 29.072 1.00 11.80 C ATOM 383 C SER A 339 45.796 57.889 28.642 1.00 12.45 C ATOM 384 O SER A 339 46.947 57.457 28.564 1.00 15.30 O ATOM 385 CB SER A 339 44.381 56.004 27.941 1.00 13.02 C ATOM 386 OG SER A 339 43.829 56.747 26.874 1.00 13.82 O ATOM 387 HG SER A 339 43.640 56.141 26.114 1.00 0.00 H ATOM 388 H SER A 339 42.818 58.053 28.650 1.00 0.00 H ATOM 389 N PHE A 340 45.458 59.130 28.323 1.00 12.15 N ATOM 390 CA PHE A 340 46.396 60.048 27.664 1.00 12.11 C ATOM 391 C PHE A 340 45.860 61.477 27.740 1.00 11.19 C ATOM 392 O PHE A 340 44.677 61.709 27.514 1.00 12.22 O ATOM 393 CB PHE A 340 46.610 59.625 26.199 1.00 13.60 C ATOM 394 CG PHE A 340 47.431 60.597 25.361 1.00 14.65 C ATOM 395 CD1 PHE A 340 46.833 61.679 24.733 1.00 13.99 C ATOM 396 CD2 PHE A 340 48.780 60.384 25.149 1.00 17.44 C ATOM 397 CE1 PHE A 340 47.565 62.542 23.947 1.00 15.27 C ATOM 398 CE2 PHE A 340 49.510 61.262 24.356 1.00 17.15 C ATOM 399 CZ PHE A 340 48.895 62.343 23.773 1.00 16.78 C ATOM 400 H PHE A 340 44.499 59.464 28.546 1.00 0.00 H ATOM 401 N ILE A 341 46.741 62.433 28.005 1.00 9.15 N ATOM 402 CA ILE A 341 46.372 63.835 27.991 1.00 9.20 C ATOM 403 C ILE A 341 47.321 64.538 27.061 1.00 9.51 C ATOM 404 O ILE A 341 48.538 64.429 27.193 1.00 9.95 O ATOM 405 CB ILE A 341 46.381 64.449 29.380 1.00 9.92 C ATOM 406 CG1 ILE A 341 45.372 63.705 30.271 1.00 10.15 C ATOM 407 CG2 ILE A 341 46.029 65.917 29.296 1.00 10.32 C ATOM 408 CD1 ILE A 341 45.459 64.059 31.724 1.00 10.88 C ATOM 409 H ILE A 341 47.722 62.170 28.229 1.00 0.00 H ATOM 410 N LEU A 342 46.738 65.236 26.099 1.00 10.50 N ATOM 411 CA LEU A 342 47.487 65.920 25.051 1.00 11.17 C ATOM 412 C LEU A 342 48.191 67.157 25.596 1.00 11.23 C ATOM 413 O LEU A 342 47.551 68.024 26.174 1.00 11.46 O ATOM 414 CB LEU A 342 46.538 66.306 23.917 1.00 13.59 C ATOM 415 CG LEU A 342 47.167 67.036 22.740 1.00 15.42 C ATOM 416 CD1 LEU A 342 48.107 66.126 21.973 1.00 15.97 C ATOM 417 CD2 LEU A 342 46.061 67.591 21.818 1.00 16.95 C ATOM 418 H LEU A 342 45.700 65.299 26.090 1.00 0.00 H ATOM 419 N ALA A 343 49.494 67.267 25.365 1.00 12.58 N ATOM 420 CA ALA A 343 50.239 68.455 25.744 1.00 13.99 C ATOM 421 C ALA A 343 49.639 69.691 25.084 1.00 15.10 C ATOM 422 O ALA A 343 49.477 69.734 23.865 1.00 15.31 O ATOM 423 CB ALA A 343 51.712 68.308 25.353 1.00 15.94 C ATOM 424 H ALA A 343 49.994 66.482 24.901 1.00 0.00 H ATOM 425 N GLY A 344 49.295 70.685 25.897 1.00 15.02 N ATOM 426 CA GLY A 344 48.770 71.933 25.392 1.00 16.21 C ATOM 427 C GLY A 344 47.292 71.988 25.044 1.00 15.45 C ATOM 428 O GLY A 344 46.803 73.048 24.603 1.00 16.03 O ATOM 429 H GLY A 344 49.407 70.561 26.924 1.00 0.00 H ATOM 430 N GLY A 345 46.588 70.877 25.226 1.00 12.77 N ATOM 431 CA GLY A 345 45.157 70.815 24.998 1.00 11.88 C ATOM 432 C GLY A 345 44.390 71.376 26.170 1.00 13.04 C ATOM 433 O GLY A 345 44.993 71.638 27.204 1.00 13.04 O ATOM 434 H GLY A 345 47.081 70.019 25.544 1.00 0.00 H ATOM 435 N PRO A 346 43.062 71.546 26.026 1.00 12.49 N ATOM 436 CA PRO A 346 42.304 72.155 27.135 1.00 13.92 C ATOM 437 C PRO A 346 42.389 71.394 28.459 1.00 14.66 C ATOM 438 O PRO A 346 42.464 72.017 29.520 1.00 15.10 O ATOM 439 CB PRO A 346 40.870 72.168 26.600 1.00 14.28 C ATOM 440 CG PRO A 346 41.054 72.331 25.141 1.00 13.24 C ATOM 441 CD PRO A 346 42.255 71.448 24.802 1.00 13.37 C ATOM 442 N ALA A 347 42.411 70.068 28.431 1.00 13.87 N ATOM 443 CA ALA A 347 42.520 69.324 29.677 1.00 13.26 C ATOM 444 C ALA A 347 43.861 69.570 30.363 1.00 14.92 C ATOM 445 O ALA A 347 43.942 69.650 31.597 1.00 17.17 O ATOM 446 CB ALA A 347 42.336 67.869 29.435 1.00 12.36 C ATOM 447 H ALA A 347 42.351 69.563 27.524 1.00 0.00 H ATOM 448 N ASP A 348 44.921 69.638 29.570 1.00 13.68 N ATOM 449 CA ASP A 348 46.240 69.946 30.098 1.00 14.78 C ATOM 450 C ASP A 348 46.253 71.337 30.703 1.00 17.38 C ATOM 451 O ASP A 348 46.741 71.537 31.822 1.00 18.83 O ATOM 452 CB ASP A 348 47.295 69.826 28.999 1.00 14.37 C ATOM 453 CG ASP A 348 48.712 70.054 29.507 1.00 15.46 C ATOM 454 OD1 ASP A 348 48.938 69.845 30.722 1.00 16.17 O ATOM 455 OD2 ASP A 348 49.582 70.447 28.697 1.00 16.69 O ATOM 456 H ASP A 348 44.807 69.468 28.550 1.00 0.00 H ATOM 457 N LEU A 349 45.699 72.297 29.971 1.00 22.23 N ATOM 458 CA LEU A 349 45.745 73.698 30.385 1.00 24.78 C ATOM 459 C LEU A 349 44.873 73.941 31.620 1.00 25.35 C ATOM 460 O LEU A 349 44.748 75.097 32.086 1.00 26.98 O ATOM 461 CB LEU A 349 45.308 74.594 29.237 1.00 26.61 C ATOM 462 CG LEU A 349 46.408 75.187 28.363 1.00 28.63 C ATOM 463 CD1 LEU A 349 47.516 74.202 28.042 1.00 28.96 C ATOM 464 CD2 LEU A 349 45.773 75.710 27.086 1.00 29.27 C ATOM 465 H LEU A 349 45.221 72.046 29.082 1.00 0.00 H ATOM 466 N SER A 350 44.275 72.854 32.126 1.00 24.34 N ATOM 467 CA SER A 350 43.514 72.838 33.371 1.00 20.73 C ATOM 468 C SER A 350 44.350 72.254 34.519 1.00 18.33 C ATOM 469 O SER A 350 44.144 72.569 35.694 1.00 17.41 O ATOM 470 CB SER A 350 42.222 72.036 33.169 1.00 19.55 C ATOM 471 OG SER A 350 42.194 70.848 33.927 1.00 18.98 O ATOM 472 HG SER A 350 42.954 70.271 33.662 1.00 0.00 H ATOM 473 H SER A 350 44.359 71.963 31.596 1.00 0.00 H ATOM 474 N GLY A 351 45.278 71.376 34.156 1.00 16.82 N ATOM 475 CA GLY A 351 46.247 70.807 35.081 1.00 16.39 C ATOM 476 C GLY A 351 45.688 69.924 36.191 1.00 19.52 C ATOM 477 O GLY A 351 46.326 69.749 37.227 1.00 24.37 O ATOM 478 H GLY A 351 45.314 71.080 33.160 1.00 0.00 H ATOM 479 N GLU A 352 44.516 69.330 35.981 1.00 17.60 N ATOM 480 CA GLU A 352 43.844 68.634 37.078 1.00 17.60 C ATOM 481 C GLU A 352 43.256 67.274 36.698 1.00 16.17 C ATOM 482 O GLU A 352 42.412 66.703 37.420 1.00 16.22 O ATOM 483 CB GLU A 352 42.741 69.520 37.646 1.00 19.31 C ATOM 484 CG GLU A 352 43.229 70.835 38.195 1.00 23.34 C ATOM 485 CD GLU A 352 42.133 71.888 38.277 1.00 26.80 C ATOM 486 OE1 GLU A 352 40.959 71.517 38.486 1.00 27.89 O ATOM 487 OE2 GLU A 352 42.461 73.097 38.115 1.00 29.05 O ATOM 488 H GLU A 352 44.078 69.361 35.038 1.00 0.00 H ATOM 489 N LEU A 353 43.694 66.742 35.555 1.00 14.55 N ATOM 490 CA LEU A 353 43.364 65.363 35.207 1.00 13.44 C ATOM 491 C LEU A 353 44.657 64.643 34.968 1.00 14.10 C ATOM 492 O LEU A 353 45.665 65.260 34.673 1.00 16.00 O ATOM 493 CB LEU A 353 42.485 65.278 33.962 1.00 14.04 C ATOM 494 CG LEU A 353 41.083 65.873 34.076 1.00 14.34 C ATOM 495 CD1 LEU A 353 40.456 65.980 32.708 1.00 15.14 C ATOM 496 CD2 LEU A 353 40.206 65.042 34.988 1.00 14.36 C ATOM 497 H LEU A 353 44.274 67.313 34.908 1.00 0.00 H ATOM 498 N ARG A 354 44.623 63.320 35.080 1.00 13.02 N ATOM 499 CA ARG A 354 45.818 62.522 34.864 1.00 13.48 C ATOM 500 C ARG A 354 45.466 61.166 34.262 1.00 11.51 C ATOM 501 O ARG A 354 44.354 60.677 34.423 1.00 10.03 O ATOM 502 CB ARG A 354 46.572 62.327 36.180 1.00 16.73 C ATOM 503 CG ARG A 354 45.800 61.529 37.186 1.00 19.50 C ATOM 504 CD ARG A 354 46.612 61.192 38.434 1.00 22.33 C ATOM 505 NE ARG A 354 47.054 62.354 39.203 1.00 25.19 N ATOM 506 CZ ARG A 354 48.315 62.767 39.317 1.00 27.68 C ATOM 507 NH1 ARG A 354 49.308 62.140 38.700 1.00 29.18 N ATOM 508 NH2 ARG A 354 48.585 63.833 40.058 1.00 29.69 N ATOM 509 HE ARG A 354 46.325 62.903 39.701 1.00 0.00 H ATOM 510 HH12 ARG A 354 50.284 62.483 38.805 1.00 0.00 H ATOM 511 HH11 ARG A 354 49.110 61.306 38.111 1.00 0.00 H ATOM 512 HH22 ARG A 354 49.566 64.165 40.154 1.00 0.00 H ATOM 513 HH21 ARG A 354 47.816 64.338 40.543 1.00 0.00 H ATOM 514 H ARG A 354 43.729 62.849 35.326 1.00 0.00 H ATOM 515 N LYS A 355 46.425 60.548 33.582 1.00 12.50 N ATOM 516 CA LYS A 355 46.268 59.163 33.148 1.00 12.49 C ATOM 517 C LYS A 355 45.965 58.320 34.372 1.00 11.30 C ATOM 518 O LYS A 355 46.646 58.429 35.401 1.00 11.15 O ATOM 519 CB LYS A 355 47.521 58.666 32.431 1.00 13.87 C ATOM 520 CG LYS A 355 47.475 57.188 32.053 1.00 15.55 C ATOM 521 CD LYS A 355 48.683 56.748 31.216 1.00 19.52 C ATOM 522 CE LYS A 355 49.745 56.129 32.046 1.00 23.06 C ATOM 523 NZ LYS A 355 50.837 55.533 31.197 1.00 24.81 N ATOM 524 HZ1 LYS A 355 50.433 54.800 30.580 1.00 0.00 H ATOM 525 HZ2 LYS A 355 51.268 56.279 30.615 1.00 0.00 H ATOM 526 HZ3 LYS A 355 51.561 55.110 31.812 1.00 0.00 H ATOM 527 H LYS A 355 47.302 61.059 33.355 1.00 0.00 H ATOM 528 N GLY A 356 44.941 57.476 34.272 1.00 8.93 N ATOM 529 CA GLY A 356 44.537 56.629 35.378 1.00 8.93 C ATOM 530 C GLY A 356 43.297 57.113 36.087 1.00 8.62 C ATOM 531 O GLY A 356 42.739 56.376 36.889 1.00 9.81 O ATOM 532 H GLY A 356 44.416 57.422 33.376 1.00 0.00 H ATOM 533 N ASP A 357 42.868 58.337 35.805 1.00 8.85 N ATOM 534 CA ASP A 357 41.612 58.847 36.329 1.00 8.78 C ATOM 535 C ASP A 357 40.440 58.120 35.693 1.00 9.86 C ATOM 536 O ASP A 357 40.375 57.968 34.460 1.00 10.82 O ATOM 537 CB ASP A 357 41.468 60.345 36.062 1.00 9.20 C ATOM 538 CG ASP A 357 42.202 61.196 37.048 1.00 11.37 C ATOM 539 OD1 ASP A 357 42.532 60.729 38.154 1.00 12.25 O ATOM 540 OD2 ASP A 357 42.456 62.379 36.709 1.00 11.76 O ATOM 541 H ASP A 357 43.446 58.947 35.193 1.00 0.00 H ATOM 542 N GLN A 358 39.504 57.703 36.530 1.00 9.87 N ATOM 543 CA GLN A 358 38.200 57.293 36.048 1.00 9.42 C ATOM 544 C GLN A 358 37.308 58.513 35.934 1.00 8.99 C ATOM 545 O GLN A 358 37.269 59.342 36.827 1.00 9.27 O ATOM 546 CB GLN A 358 37.565 56.271 36.992 1.00 9.31 C ATOM 547 CG GLN A 358 36.293 55.694 36.445 1.00 10.64 C ATOM 548 CD GLN A 358 35.591 54.759 37.395 1.00 12.62 C ATOM 549 OE1 GLN A 358 36.111 54.400 38.460 1.00 14.33 O ATOM 550 NE2 GLN A 358 34.419 54.316 36.991 1.00 12.84 N ATOM 551 HE22 GLN A 358 34.021 54.646 36.088 1.00 0.00 H ATOM 552 HE21 GLN A 358 33.891 53.636 37.574 1.00 0.00 H ATOM 553 H GLN A 358 39.707 57.669 37.549 1.00 0.00 H ATOM 554 N ILE A 359 36.568 58.609 34.836 1.00 9.19 N ATOM 555 CA ILE A 359 35.583 59.663 34.691 1.00 9.82 C ATOM 556 C ILE A 359 34.264 59.196 35.292 1.00 10.30 C ATOM 557 O ILE A 359 33.597 58.330 34.716 1.00 11.26 O ATOM 558 CB ILE A 359 35.408 60.065 33.221 1.00 10.51 C ATOM 559 CG1 ILE A 359 36.723 60.633 32.663 1.00 10.31 C ATOM 560 CG2 ILE A 359 34.270 61.060 33.104 1.00 10.85 C ATOM 561 CD1 ILE A 359 36.655 60.955 31.196 1.00 10.77 C ATOM 562 H ILE A 359 36.697 57.918 34.069 1.00 0.00 H ATOM 563 N LEU A 360 33.882 59.795 36.424 1.00 8.73 N ATOM 564 CA LEU A 360 32.679 59.386 37.157 1.00 10.12 C ATOM 565 C LEU A 360 31.441 60.048 36.560 1.00 10.89 C ATOM 566 O LEU A 360 30.385 59.435 36.520 1.00 10.58 O ATOM 567 CB LEU A 360 32.797 59.721 38.643 1.00 10.67 C ATOM 568 CG LEU A 360 34.004 59.161 39.391 1.00 10.42 C ATOM 569 CD1 LEU A 360 33.837 59.369 40.859 1.00 11.49 C ATOM 570 CD2 LEU A 360 34.230 57.688 39.097 1.00 12.52 C ATOM 571 H LEU A 360 34.457 60.577 36.798 1.00 0.00 H ATOM 572 N SER A 361 31.558 61.303 36.127 1.00 10.77 N ATOM 573 CA SER A 361 30.423 62.007 35.541 1.00 11.00 C ATOM 574 C SER A 361 30.866 63.185 34.694 1.00 11.43 C ATOM 575 O SER A 361 31.946 63.731 34.896 1.00 10.52 O ATOM 576 CB SER A 361 29.462 62.503 36.618 1.00 11.67 C ATOM 577 OG SER A 361 30.069 63.491 37.444 1.00 12.25 O ATOM 578 HG SER A 361 29.420 63.790 38.130 1.00 0.00 H ATOM 579 H SER A 361 32.474 61.789 36.208 1.00 0.00 H ATOM 580 N VAL A 362 30.045 63.560 33.717 1.00 11.90 N ATOM 581 CA VAL A 362 30.287 64.776 32.951 1.00 12.00 C ATOM 582 C VAL A 362 28.992 65.563 32.906 1.00 12.63 C ATOM 583 O VAL A 362 27.958 65.060 32.493 1.00 13.31 O ATOM 584 CB VAL A 362 30.827 64.481 31.525 1.00 12.41 C ATOM 585 CG1 VAL A 362 29.836 63.690 30.725 1.00 13.51 C ATOM 586 CG2 VAL A 362 31.181 65.777 30.814 1.00 12.69 C ATOM 587 H VAL A 362 29.215 62.974 33.496 1.00 0.00 H ATOM 588 N ASN A 363 29.067 66.801 33.369 1.00 13.23 N ATOM 589 CA ASN A 363 27.928 67.694 33.467 1.00 14.38 C ATOM 590 C ASN A 363 26.749 67.019 34.173 1.00 15.09 C ATOM 591 O ASN A 363 25.592 67.177 33.776 1.00 17.62 O ATOM 592 CB ASN A 363 27.527 68.188 32.076 1.00 16.70 C ATOM 593 CG ASN A 363 28.534 69.158 31.514 1.00 17.69 C ATOM 594 OD1 ASN A 363 29.518 69.495 32.176 1.00 17.27 O ATOM 595 ND2 ASN A 363 28.320 69.602 30.282 1.00 19.85 N ATOM 596 HD22 ASN A 363 27.477 69.293 29.757 1.00 0.00 H ATOM 597 HD21 ASN A 363 28.995 70.259 29.841 1.00 0.00 H ATOM 598 H ASN A 363 29.995 67.153 33.680 1.00 0.00 H ATOM 599 N GLY A 364 27.077 66.293 35.240 1.00 15.02 N ATOM 600 CA GLY A 364 26.089 65.649 36.089 1.00 17.32 C ATOM 601 C GLY A 364 25.539 64.333 35.569 1.00 19.44 C ATOM 602 O GLY A 364 24.691 63.712 36.224 1.00 22.60 O ATOM 603 H GLY A 364 28.084 66.182 35.476 1.00 0.00 H ATOM 604 N VAL A 365 26.012 63.913 34.398 1.00 17.49 N ATOM 605 CA VAL A 365 25.624 62.635 33.815 1.00 18.54 C ATOM 606 C VAL A 365 26.604 61.534 34.269 1.00 16.02 C ATOM 607 O VAL A 365 27.797 61.595 33.985 1.00 14.94 O ATOM 608 CB VAL A 365 25.565 62.739 32.287 1.00 23.12 C ATOM 609 CG1 VAL A 365 25.303 61.374 31.664 1.00 25.92 C ATOM 610 CG2 VAL A 365 24.487 63.725 31.880 1.00 25.28 C ATOM 611 H VAL A 365 26.682 64.518 33.881 1.00 0.00 H ATOM 612 N ASP A 366 26.073 60.547 34.988 1.00 16.37 N ATOM 613 CA ASP A 366 26.842 59.462 35.597 1.00 14.90 C ATOM 614 C ASP A 366 27.425 58.544 34.513 1.00 14.30 C ATOM 615 O ASP A 366 26.675 57.932 33.740 1.00 14.90 O ATOM 616 CB ASP A 366 25.920 58.689 36.555 1.00 15.98 C ATOM 617 CG ASP A 366 26.578 57.509 37.246 1.00 16.32 C ATOM 618 OD1 ASP A 366 27.813 57.304 37.172 1.00 15.41 O ATOM 619 OD2 ASP A 366 25.817 56.768 37.912 1.00 16.95 O ATOM 620 H ASP A 366 25.042 60.548 35.126 1.00 0.00 H ATOM 621 N LEU A 367 28.756 58.464 34.448 1.00 12.82 N ATOM 622 CA LEU A 367 29.430 57.631 33.454 1.00 11.76 C ATOM 623 C LEU A 367 30.143 56.440 34.074 1.00 12.07 C ATOM 624 O LEU A 367 30.877 55.739 33.390 1.00 12.97 O ATOM 625 CB LEU A 367 30.444 58.455 32.639 1.00 11.25 C ATOM 626 CG LEU A 367 29.860 59.579 31.761 1.00 12.48 C ATOM 627 CD1 LEU A 367 30.985 60.230 30.969 1.00 14.11 C ATOM 628 CD2 LEU A 367 28.734 59.073 30.829 1.00 13.04 C ATOM 629 H LEU A 367 29.329 59.009 35.123 1.00 0.00 H ATOM 630 N ARG A 368 29.919 56.195 35.358 1.00 11.78 N ATOM 631 CA ARG A 368 30.605 55.093 36.024 1.00 12.21 C ATOM 632 C ARG A 368 30.357 53.772 35.321 1.00 14.07 C ATOM 633 O ARG A 368 31.251 52.924 35.289 1.00 15.39 O ATOM 634 CB ARG A 368 30.181 54.973 37.486 1.00 11.47 C ATOM 635 CG ARG A 368 30.689 56.091 38.372 1.00 10.93 C ATOM 636 CD ARG A 368 30.142 56.005 39.771 1.00 11.37 C ATOM 637 NE ARG A 368 28.696 55.959 39.681 1.00 12.33 N ATOM 638 CZ ARG A 368 27.893 55.276 40.481 1.00 13.31 C ATOM 639 NH1 ARG A 368 28.375 54.610 41.509 1.00 14.78 N ATOM 640 NH2 ARG A 368 26.601 55.277 40.232 1.00 14.62 N ATOM 641 HE ARG A 368 28.250 56.511 38.921 1.00 0.00 H ATOM 642 HH12 ARG A 368 27.734 54.077 42.130 1.00 0.00 H ATOM 643 HH11 ARG A 368 29.397 54.617 41.700 1.00 0.00 H ATOM 644 HH22 ARG A 368 25.952 54.747 40.848 1.00 0.00 H ATOM 645 HH21 ARG A 368 26.229 55.808 39.419 1.00 0.00 H ATOM 646 H ARG A 368 29.253 56.790 35.891 1.00 0.00 H ATOM 647 N ASN A 369 29.162 53.594 34.754 1.00 14.02 N ATOM 648 CA ASN A 369 28.782 52.335 34.123 1.00 14.98 C ATOM 649 C ASN A 369 28.449 52.507 32.648 1.00 14.98 C ATOM 650 O ASN A 369 27.742 51.710 32.052 1.00 16.42 O ATOM 651 CB ASN A 369 27.611 51.723 34.890 1.00 18.43 C ATOM 652 CG ASN A 369 27.999 51.396 36.323 1.00 20.61 C ATOM 653 OD1 ASN A 369 28.782 50.477 36.559 1.00 24.35 O ATOM 654 ND2 ASN A 369 27.523 52.193 37.275 1.00 18.48 N ATOM 655 HD22 ASN A 369 26.863 52.958 37.030 1.00 0.00 H ATOM 656 HD21 ASN A 369 27.811 52.051 38.264 1.00 0.00 H ATOM 657 H ASN A 369 28.479 54.379 34.762 1.00 0.00 H ATOM 658 N ALA A 370 29.023 53.534 32.046 1.00 13.49 N ATOM 659 CA ALA A 370 28.749 53.856 30.656 1.00 13.21 C ATOM 660 C ALA A 370 29.408 52.913 29.670 1.00 14.17 C ATOM 661 O ALA A 370 30.466 52.340 29.947 1.00 14.13 O ATOM 662 CB ALA A 370 29.220 55.280 30.350 1.00 12.19 C ATOM 663 H ALA A 370 29.688 54.127 32.581 1.00 0.00 H ATOM 664 N SER A 371 28.804 52.796 28.497 1.00 14.72 N ATOM 665 CA SER A 371 29.481 52.176 27.379 1.00 14.99 C ATOM 666 C SER A 371 30.463 53.172 26.798 1.00 14.35 C ATOM 667 O SER A 371 30.308 54.383 26.940 1.00 13.56 O ATOM 668 CB SER A 371 28.497 51.735 26.306 1.00 16.44 C ATOM 669 OG SER A 371 27.930 52.860 25.646 1.00 16.57 O ATOM 670 HG SER A 371 27.294 52.549 24.954 1.00 0.00 H ATOM 671 H SER A 371 27.834 53.153 28.379 1.00 0.00 H ATOM 672 N HIS A 372 31.479 52.658 26.125 1.00 15.59 N ATOM 673 CA HIS A 372 32.523 53.493 25.591 1.00 16.23 C ATOM 674 C HIS A 372 31.983 54.553 24.614 1.00 15.49 C ATOM 675 O HIS A 372 32.298 55.738 24.754 1.00 15.35 O ATOM 676 CB HIS A 372 33.580 52.635 24.904 1.00 17.69 C ATOM 677 CG HIS A 372 34.765 53.422 24.435 1.00 17.67 C ATOM 678 ND1 HIS A 372 35.843 53.697 25.242 1.00 17.68 N ATOM 679 CD2 HIS A 372 35.014 54.014 23.247 1.00 16.99 C ATOM 680 CE1 HIS A 372 36.716 54.429 24.566 1.00 15.66 C ATOM 681 NE2 HIS A 372 36.239 54.631 23.353 1.00 16.67 N ATOM 682 H HIS A 372 31.525 51.629 25.979 1.00 0.00 H ATOM 683 N GLU A 373 31.157 54.151 23.645 1.00 16.31 N ATOM 684 CA GLU A 373 30.671 55.107 22.658 1.00 18.86 C ATOM 685 C GLU A 373 29.820 56.172 23.308 1.00 16.96 C ATOM 686 O GLU A 373 29.912 57.336 22.933 1.00 16.68 O ATOM 687 CB GLU A 373 29.853 54.449 21.545 1.00 24.28 C ATOM 688 CG GLU A 373 29.350 55.529 20.543 1.00 29.51 C ATOM 689 CD GLU A 373 28.522 55.015 19.376 1.00 35.08 C ATOM 690 OE1 GLU A 373 27.642 54.151 19.577 1.00 37.56 O ATOM 691 OE2 GLU A 373 28.742 55.523 18.252 1.00 37.27 O ATOM 692 H GLU A 373 30.860 53.155 23.595 1.00 0.00 H ATOM 693 N GLN A 374 28.968 55.788 24.259 1.00 15.54 N ATOM 694 CA GLN A 374 28.055 56.762 24.857 1.00 16.47 C ATOM 695 C GLN A 374 28.838 57.721 25.749 1.00 14.61 C ATOM 696 O GLN A 374 28.450 58.882 25.868 1.00 15.26 O ATOM 697 CB GLN A 374 26.918 56.101 25.652 1.00 19.50 C ATOM 698 CG GLN A 374 25.864 55.392 24.824 1.00 22.49 C ATOM 699 CD GLN A 374 25.171 56.253 23.776 1.00 23.93 C ATOM 700 OE1 GLN A 374 24.845 57.425 23.999 1.00 24.11 O ATOM 701 NE2 GLN A 374 24.923 55.661 22.620 1.00 25.36 N ATOM 702 HE22 GLN A 374 25.212 54.674 22.469 1.00 0.00 H ATOM 703 HE21 GLN A 374 24.439 56.183 21.862 1.00 0.00 H ATOM 704 H GLN A 374 28.953 54.797 24.575 1.00 0.00 H ATOM 705 N ALA A 375 29.909 57.242 26.388 1.00 13.65 N ATOM 706 CA ALA A 375 30.787 58.124 27.157 1.00 13.13 C ATOM 707 C ALA A 375 31.463 59.133 26.230 1.00 12.66 C ATOM 708 O ALA A 375 31.528 60.314 26.538 1.00 12.67 O ATOM 709 CB ALA A 375 31.858 57.326 27.932 1.00 12.12 C ATOM 710 H ALA A 375 30.122 56.225 26.338 1.00 0.00 H ATOM 711 N ALA A 376 31.966 58.670 25.094 1.00 11.92 N ATOM 712 CA ALA A 376 32.599 59.565 24.115 1.00 12.82 C ATOM 713 C ALA A 376 31.587 60.626 23.627 1.00 13.38 C ATOM 714 O ALA A 376 31.896 61.821 23.534 1.00 13.78 O ATOM 715 CB ALA A 376 33.135 58.762 22.964 1.00 13.10 C ATOM 716 H ALA A 376 31.911 57.651 24.891 1.00 0.00 H ATOM 717 N ILE A 377 30.359 60.196 23.338 1.00 14.73 N ATOM 718 CA ILE A 377 29.299 61.126 22.933 1.00 15.90 C ATOM 719 C ILE A 377 29.010 62.165 24.010 1.00 15.24 C ATOM 720 O ILE A 377 28.883 63.348 23.717 1.00 16.30 O ATOM 721 CB ILE A 377 28.007 60.362 22.585 1.00 18.49 C ATOM 722 CG1 ILE A 377 28.204 59.609 21.267 1.00 19.84 C ATOM 723 CG2 ILE A 377 26.827 61.328 22.516 1.00 21.30 C ATOM 724 CD1 ILE A 377 27.092 58.659 20.917 1.00 21.91 C ATOM 725 H ILE A 377 30.148 59.180 23.401 1.00 0.00 H ATOM 726 N ALA A 378 28.915 61.712 25.257 1.00 14.53 N ATOM 727 CA ALA A 378 28.635 62.595 26.376 1.00 16.18 C ATOM 728 C ALA A 378 29.699 63.670 26.474 1.00 15.60 C ATOM 729 O ALA A 378 29.383 64.844 26.685 1.00 17.06 O ATOM 730 CB ALA A 378 28.550 61.808 27.694 1.00 16.49 C ATOM 731 H ALA A 378 29.045 60.696 25.436 1.00 0.00 H ATOM 732 N LEU A 379 30.957 63.266 26.332 1.00 13.44 N ATOM 733 CA LEU A 379 32.062 64.209 26.428 1.00 12.71 C ATOM 734 C LEU A 379 32.084 65.156 25.246 1.00 13.95 C ATOM 735 O LEU A 379 32.225 66.362 25.424 1.00 15.72 O ATOM 736 CB LEU A 379 33.400 63.468 26.542 1.00 12.51 C ATOM 737 CG LEU A 379 33.561 62.850 27.937 1.00 13.45 C ATOM 738 CD1 LEU A 379 34.499 61.657 27.893 1.00 12.42 C ATOM 739 CD2 LEU A 379 34.067 63.897 28.905 1.00 14.68 C ATOM 740 H LEU A 379 31.155 62.261 26.150 1.00 0.00 H ATOM 741 N LYS A 380 31.946 64.627 24.034 1.00 13.01 N ATOM 742 CA LYS A 380 32.003 65.464 22.830 1.00 13.64 C ATOM 743 C LYS A 380 30.854 66.448 22.726 1.00 14.55 C ATOM 744 O LYS A 380 30.992 67.492 22.100 1.00 14.98 O ATOM 745 CB LYS A 380 32.032 64.592 21.577 1.00 15.56 C ATOM 746 CG LYS A 380 33.330 63.840 21.410 1.00 16.81 C ATOM 747 CD LYS A 380 33.321 63.016 20.139 1.00 19.65 C ATOM 748 CE LYS A 380 34.658 62.353 19.929 1.00 20.81 C ATOM 749 NZ LYS A 380 34.692 61.625 18.632 1.00 23.06 N ATOM 750 HZ1 LYS A 380 33.952 60.895 18.626 1.00 0.00 H ATOM 751 HZ2 LYS A 380 34.525 62.296 17.855 1.00 0.00 H ATOM 752 HZ3 LYS A 380 35.623 61.177 18.511 1.00 0.00 H ATOM 753 H LYS A 380 31.795 63.603 23.938 1.00 0.00 H ATOM 754 N ASN A 381 29.715 66.102 23.318 1.00 19.35 N ATOM 755 CA ASN A 381 28.530 66.954 23.251 1.00 20.64 C ATOM 756 C ASN A 381 28.229 67.715 24.539 1.00 20.77 C ATOM 757 O ASN A 381 27.141 68.268 24.689 1.00 21.82 O ATOM 758 CB ASN A 381 27.313 66.105 22.877 1.00 23.98 C ATOM 759 CG ASN A 381 27.330 65.698 21.440 1.00 29.76 C ATOM 760 OD1 ASN A 381 27.747 64.596 21.100 1.00 32.51 O ATOM 761 ND2 ASN A 381 26.898 66.607 20.566 1.00 32.47 N ATOM 762 HD22 ASN A 381 26.553 67.529 20.902 1.00 0.00 H ATOM 763 HD21 ASN A 381 26.906 66.394 19.548 1.00 0.00 H ATOM 764 H ASN A 381 29.666 65.204 23.841 1.00 0.00 H ATOM 765 N ALA A 382 29.196 67.770 25.443 1.00 20.21 N ATOM 766 CA ALA A 382 28.990 68.356 26.761 1.00 20.66 C ATOM 767 C ALA A 382 28.863 69.866 26.718 1.00 22.77 C ATOM 768 O ALA A 382 28.459 70.472 27.707 1.00 25.80 O ATOM 769 CB ALA A 382 30.136 67.966 27.699 1.00 19.97 C ATOM 770 H ALA A 382 30.131 67.383 25.204 1.00 0.00 H ATOM 771 N GLY A 383 29.201 70.472 25.586 1.00 21.14 N ATOM 772 CA GLY A 383 29.153 71.914 25.466 1.00 21.70 C ATOM 773 C GLY A 383 30.484 72.560 25.767 1.00 21.04 C ATOM 774 O GLY A 383 31.494 71.870 26.007 1.00 20.20 O ATOM 775 H GLY A 383 29.505 69.901 24.772 1.00 0.00 H ATOM 776 N GLN A 384 30.482 73.888 25.791 1.00 22.35 N ATOM 777 CA GLN A 384 31.705 74.660 25.870 1.00 22.77 C ATOM 778 C GLN A 384 32.335 74.568 27.252 1.00 22.99 C ATOM 779 O GLN A 384 33.554 74.620 27.385 1.00 22.05 O ATOM 780 CB GLN A 384 31.410 76.114 25.497 1.00 25.65 C ATOM 781 CG GLN A 384 30.767 76.245 24.097 1.00 29.38 C ATOM 782 CD GLN A 384 30.136 77.594 23.827 1.00 33.77 C ATOM 783 OE1 GLN A 384 30.781 78.501 23.292 1.00 35.42 O ATOM 784 NE2 GLN A 384 28.859 77.729 24.167 1.00 36.12 N ATOM 785 HE22 GLN A 384 28.354 76.938 24.616 1.00 0.00 H ATOM 786 HE21 GLN A 384 28.364 78.625 23.984 1.00 0.00 H ATOM 787 H GLN A 384 29.572 74.390 25.752 1.00 0.00 H ATOM 788 N THR A 385 31.505 74.403 28.276 1.00 16.89 N ATOM 789 CA THR A 385 31.982 74.252 29.644 1.00 20.52 C ATOM 790 C THR A 385 31.715 72.827 30.098 1.00 19.70 C ATOM 791 O THR A 385 30.566 72.385 30.095 1.00 20.24 O ATOM 792 CB THR A 385 31.306 75.230 30.608 1.00 24.01 C ATOM 793 OG1 THR A 385 31.419 76.567 30.105 1.00 26.85 O ATOM 794 CG2 THR A 385 31.942 75.133 32.003 1.00 23.86 C ATOM 795 HG1 THR A 385 30.979 76.624 29.220 1.00 0.00 H ATOM 796 H THR A 385 30.481 74.381 28.095 1.00 0.00 H ATOM 797 N VAL A 386 32.763 72.120 30.511 1.00 17.24 N ATOM 798 CA VAL A 386 32.669 70.693 30.793 1.00 16.29 C ATOM 799 C VAL A 386 33.105 70.446 32.237 1.00 14.36 C ATOM 800 O VAL A 386 34.269 70.659 32.596 1.00 14.43 O ATOM 801 CB VAL A 386 33.507 69.867 29.800 1.00 16.17 C ATOM 802 CG1 VAL A 386 33.268 68.364 29.993 1.00 16.11 C ATOM 803 CG2 VAL A 386 33.195 70.303 28.374 1.00 17.03 C ATOM 804 H VAL A 386 33.677 72.600 30.637 1.00 0.00 H ATOM 805 N THR A 387 32.155 69.997 33.060 1.00 14.00 N ATOM 806 CA THR A 387 32.389 69.731 34.470 1.00 13.74 C ATOM 807 C THR A 387 32.511 68.221 34.641 1.00 13.10 C ATOM 808 O THR A 387 31.534 67.478 34.502 1.00 14.34 O ATOM 809 CB THR A 387 31.264 70.277 35.351 1.00 16.12 C ATOM 810 OG1 THR A 387 31.175 71.693 35.175 1.00 17.42 O ATOM 811 CG2 THR A 387 31.491 69.969 36.819 1.00 16.22 C ATOM 812 HG1 THR A 387 30.982 71.895 34.225 1.00 0.00 H ATOM 813 H THR A 387 31.204 69.830 32.675 1.00 0.00 H ATOM 814 N ILE A 388 33.727 67.791 34.935 1.00 10.29 N ATOM 815 CA ILE A 388 34.047 66.374 35.110 1.00 9.65 C ATOM 816 C ILE A 388 34.258 66.067 36.584 1.00 11.09 C ATOM 817 O ILE A 388 34.961 66.801 37.278 1.00 12.95 O ATOM 818 CB ILE A 388 35.301 66.001 34.296 1.00 10.99 C ATOM 819 CG1 ILE A 388 34.982 66.075 32.804 1.00 12.89 C ATOM 820 CG2 ILE A 388 35.832 64.607 34.703 1.00 11.89 C ATOM 821 CD1 ILE A 388 36.171 66.117 31.925 1.00 13.37 C ATOM 822 H ILE A 388 34.489 68.490 35.047 1.00 0.00 H ATOM 823 N ILE A 389 33.637 65.007 37.079 1.00 9.94 N ATOM 824 CA ILE A 389 34.037 64.427 38.367 1.00 9.62 C ATOM 825 C ILE A 389 34.902 63.232 38.030 1.00 9.31 C ATOM 826 O ILE A 389 34.456 62.338 37.299 1.00 11.46 O ATOM 827 CB ILE A 389 32.854 64.011 39.237 1.00 11.92 C ATOM 828 CG1 ILE A 389 31.915 65.202 39.477 1.00 16.17 C ATOM 829 CG2 ILE A 389 33.356 63.386 40.524 1.00 11.94 C ATOM 830 CD1 ILE A 389 32.546 66.368 40.115 1.00 19.01 C ATOM 831 H ILE A 389 32.853 64.579 36.547 1.00 0.00 H ATOM 832 N ALA A 390 36.142 63.258 38.530 1.00 8.44 N ATOM 833 CA ALA A 390 37.144 62.233 38.238 1.00 9.26 C ATOM 834 C ALA A 390 37.656 61.651 39.533 1.00 9.48 C ATOM 835 O ALA A 390 37.630 62.282 40.580 1.00 9.99 O ATOM 836 CB ALA A 390 38.279 62.815 37.456 1.00 10.27 C ATOM 837 H ALA A 390 36.407 64.045 39.157 1.00 0.00 H ATOM 838 N GLN A 391 38.130 60.419 39.449 1.00 9.78 N ATOM 839 CA GLN A 391 38.692 59.745 40.603 1.00 9.70 C ATOM 840 C GLN A 391 39.840 58.857 40.153 1.00 9.96 C ATOM 841 O GLN A 391 39.681 58.067 39.236 1.00 9.49 O ATOM 842 CB GLN A 391 37.616 58.934 41.309 1.00 10.37 C ATOM 843 CG GLN A 391 38.116 58.248 42.541 1.00 11.36 C ATOM 844 CD GLN A 391 37.007 57.723 43.425 1.00 13.40 C ATOM 845 OE1 GLN A 391 35.962 57.254 42.942 1.00 14.57 O ATOM 846 NE2 GLN A 391 37.205 57.838 44.729 1.00 13.91 N ATOM 847 HE22 GLN A 391 38.096 58.237 45.086 1.00 0.00 H ATOM 848 HE21 GLN A 391 36.469 57.529 45.396 1.00 0.00 H ATOM 849 H GLN A 391 38.099 59.923 38.535 1.00 0.00 H ATOM 850 N TYR A 392 40.989 58.985 40.813 1.00 8.30 N ATOM 851 CA TYR A 392 42.190 58.270 40.425 1.00 9.12 C ATOM 852 C TYR A 392 42.122 56.769 40.786 1.00 9.39 C ATOM 853 O TYR A 392 42.002 56.403 41.965 1.00 9.68 O ATOM 854 CB TYR A 392 43.395 58.931 41.091 1.00 9.96 C ATOM 855 CG TYR A 392 44.746 58.427 40.629 1.00 10.13 C ATOM 856 CD1 TYR A 392 45.065 58.373 39.281 1.00 10.13 C ATOM 857 CD2 TYR A 392 45.701 57.992 41.542 1.00 11.70 C ATOM 858 CE1 TYR A 392 46.298 57.911 38.862 1.00 10.09 C ATOM 859 CE2 TYR A 392 46.939 57.552 41.129 1.00 11.91 C ATOM 860 CZ TYR A 392 47.225 57.516 39.782 1.00 11.46 C ATOM 861 OH TYR A 392 48.457 57.061 39.376 1.00 12.55 O ATOM 862 HH TYR A 392 48.580 56.128 39.682 1.00 0.00 H ATOM 863 H TYR A 392 41.027 59.620 41.636 1.00 0.00 H ATOM 864 N LYS A 393 42.180 55.924 39.762 1.00 9.82 N ATOM 865 CA LYS A 393 42.041 54.474 39.900 1.00 10.60 C ATOM 866 C LYS A 393 43.148 53.763 39.117 1.00 10.36 C ATOM 867 O LYS A 393 42.889 53.101 38.108 1.00 11.10 O ATOM 868 CB LYS A 393 40.661 54.026 39.409 1.00 10.74 C ATOM 869 CG LYS A 393 39.496 54.487 40.298 1.00 14.19 C ATOM 870 CD LYS A 393 39.456 53.723 41.589 1.00 18.51 C ATOM 871 CE LYS A 393 38.195 54.029 42.416 1.00 23.94 C ATOM 872 NZ LYS A 393 37.500 52.780 42.860 1.00 28.92 N ATOM 873 HZ1 LYS A 393 37.216 52.227 42.026 1.00 0.00 H ATOM 874 HZ2 LYS A 393 38.146 52.216 43.448 1.00 0.00 H ATOM 875 HZ3 LYS A 393 36.656 53.032 43.414 1.00 0.00 H ATOM 876 H LYS A 393 42.333 56.315 38.810 1.00 0.00 H ATOM 877 N PRO A 394 44.383 53.897 39.598 1.00 10.76 N ATOM 878 CA PRO A 394 45.518 53.395 38.815 1.00 10.44 C ATOM 879 C PRO A 394 45.586 51.875 38.724 1.00 10.51 C ATOM 880 O PRO A 394 46.110 51.363 37.713 1.00 11.99 O ATOM 881 CB PRO A 394 46.725 53.949 39.575 1.00 11.12 C ATOM 882 CG PRO A 394 46.238 54.186 40.972 1.00 11.21 C ATOM 883 CD PRO A 394 44.809 54.613 40.812 1.00 10.45 C ATOM 884 N GLU A 395 45.116 51.158 39.732 1.00 10.87 N ATOM 885 CA GLU A 395 45.121 49.704 39.664 1.00 12.41 C ATOM 886 C GLU A 395 44.268 49.213 38.497 1.00 13.45 C ATOM 887 O GLU A 395 44.702 48.386 37.698 1.00 13.32 O ATOM 888 CB GLU A 395 44.624 49.123 40.980 1.00 13.89 C ATOM 889 CG GLU A 395 45.571 49.350 42.147 1.00 15.23 C ATOM 890 CD GLU A 395 45.522 50.766 42.706 1.00 15.40 C ATOM 891 OE1 GLU A 395 44.496 51.472 42.516 1.00 14.98 O ATOM 892 OE2 GLU A 395 46.514 51.137 43.368 1.00 16.75 O ATOM 893 H GLU A 395 44.741 51.635 40.577 1.00 0.00 H ATOM 894 N GLU A 396 43.066 49.753 38.389 1.00 12.74 N ATOM 895 CA GLU A 396 42.161 49.384 37.306 1.00 13.66 C ATOM 896 C GLU A 396 42.756 49.775 35.962 1.00 13.16 C ATOM 897 O GLU A 396 42.715 49.001 34.996 1.00 14.34 O ATOM 898 CB GLU A 396 40.799 50.057 37.485 1.00 15.55 C ATOM 899 CG GLU A 396 39.929 49.398 38.488 1.00 20.23 C ATOM 900 CD GLU A 396 40.238 49.806 39.902 1.00 23.12 C ATOM 901 OE1 GLU A 396 41.188 50.585 40.115 1.00 21.14 O ATOM 902 OE2 GLU A 396 39.526 49.316 40.807 1.00 27.04 O ATOM 903 H GLU A 396 42.759 50.456 39.091 1.00 0.00 H ATOM 904 N TYR A 397 43.316 50.980 35.891 1.00 13.88 N ATOM 905 CA TYR A 397 43.866 51.430 34.629 1.00 14.27 C ATOM 906 C TYR A 397 45.025 50.543 34.189 1.00 13.20 C ATOM 907 O TYR A 397 45.161 50.222 33.007 1.00 14.82 O ATOM 908 CB TYR A 397 44.351 52.895 34.698 1.00 15.29 C ATOM 909 CG TYR A 397 45.066 53.207 33.415 1.00 14.73 C ATOM 910 CD1 TYR A 397 44.356 53.525 32.260 1.00 14.50 C ATOM 911 CD2 TYR A 397 46.441 53.065 33.319 1.00 15.07 C ATOM 912 CE1 TYR A 397 45.006 53.724 31.067 1.00 15.66 C ATOM 913 CE2 TYR A 397 47.091 53.244 32.119 1.00 15.77 C ATOM 914 CZ TYR A 397 46.367 53.588 31.007 1.00 17.11 C ATOM 915 OH TYR A 397 47.023 53.773 29.814 1.00 20.21 O ATOM 916 HH TYR A 397 47.486 52.935 29.560 1.00 0.00 H ATOM 917 H TYR A 397 43.358 51.591 36.731 1.00 0.00 H ATOM 918 N SER A 398 45.864 50.150 35.141 1.00 16.15 N ATOM 919 CA SER A 398 47.114 49.459 34.825 1.00 16.18 C ATOM 920 C SER A 398 46.883 48.146 34.091 1.00 17.23 C ATOM 921 O SER A 398 47.760 47.673 33.398 1.00 18.78 O ATOM 922 CB SER A 398 47.931 49.221 36.105 1.00 18.74 C ATOM 923 OG SER A 398 47.328 48.281 36.981 1.00 21.59 O ATOM 924 HG SER A 398 46.434 48.610 37.251 1.00 0.00 H ATOM 925 H SER A 398 45.626 50.338 36.136 1.00 0.00 H ATOM 926 N ARG A 399 45.692 47.580 34.217 1.00 18.03 N ATOM 927 CA ARG A 399 45.371 46.332 33.530 1.00 19.48 C ATOM 928 C ARG A 399 45.234 46.503 32.021 1.00 17.19 C ATOM 929 O ARG A 399 45.309 45.525 31.282 1.00 16.31 O ATOM 930 CB ARG A 399 44.099 45.740 34.122 1.00 25.91 C ATOM 931 CG ARG A 399 44.305 45.454 35.594 1.00 31.79 C ATOM 932 CD ARG A 399 43.291 44.539 36.221 1.00 38.50 C ATOM 933 NE ARG A 399 43.164 44.910 37.627 1.00 43.76 N ATOM 934 CZ ARG A 399 43.944 44.459 38.606 1.00 46.17 C ATOM 935 NH1 ARG A 399 44.908 43.578 38.361 1.00 44.88 N ATOM 936 NH2 ARG A 399 43.748 44.884 39.846 1.00 48.26 N ATOM 937 HE ARG A 399 42.408 45.576 37.883 1.00 0.00 H ATOM 938 HH12 ARG A 399 45.509 43.235 39.138 1.00 0.00 H ATOM 939 HH11 ARG A 399 45.062 43.231 37.393 1.00 0.00 H ATOM 940 HH22 ARG A 399 44.353 44.536 40.617 1.00 0.00 H ATOM 941 HH21 ARG A 399 42.989 45.565 40.048 1.00 0.00 H ATOM 942 H ARG A 399 44.972 48.033 34.816 1.00 0.00 H ATOM 943 N PHE A 400 45.051 47.735 31.555 1.00 15.69 N ATOM 944 CA PHE A 400 44.950 47.982 30.113 1.00 15.49 C ATOM 945 C PHE A 400 46.312 48.018 29.410 1.00 14.33 C ATOM 946 O PHE A 400 46.440 47.571 28.269 1.00 14.04 O ATOM 947 CB PHE A 400 44.241 49.314 29.831 1.00 17.45 C ATOM 948 CG PHE A 400 42.770 49.320 30.142 1.00 24.63 C ATOM 949 CD1 PHE A 400 41.850 48.897 29.192 1.00 29.49 C ATOM 950 CD2 PHE A 400 42.302 49.799 31.355 1.00 27.99 C ATOM 951 CE1 PHE A 400 40.496 48.914 29.468 1.00 33.63 C ATOM 952 CE2 PHE A 400 40.950 49.816 31.637 1.00 31.74 C ATOM 953 CZ PHE A 400 40.047 49.376 30.693 1.00 34.28 C ATOM 954 H PHE A 400 44.979 48.531 32.220 1.00 0.00 H ATOM 955 N GLU A 401 47.316 48.577 30.077 1.00 13.79 N ATOM 956 CA GLU A 401 48.573 48.915 29.409 1.00 13.01 C ATOM 957 C GLU A 401 49.643 47.846 29.658 1.00 13.14 C ATOM 958 O GLU A 401 49.860 47.436 30.793 1.00 14.62 O ATOM 959 CB GLU A 401 49.061 50.288 29.876 1.00 14.36 C ATOM 960 CG GLU A 401 50.169 50.840 29.008 1.00 14.92 C ATOM 961 CD GLU A 401 50.420 52.341 29.172 1.00 17.02 C ATOM 962 OE1 GLU A 401 49.731 53.012 29.968 1.00 18.45 O ATOM 963 OE2 GLU A 401 51.339 52.852 28.490 1.00 17.18 O ATOM 964 H GLU A 401 47.206 48.778 31.092 1.00 0.00 H ATOM 965 N ALA A 402 50.311 47.381 28.608 1.00 12.29 N ATOM 966 CA ALA A 402 51.295 46.319 28.753 1.00 13.25 C ATOM 967 C ALA A 402 52.399 46.681 29.748 1.00 12.70 C ATOM 968 O ALA A 402 52.840 47.823 29.818 1.00 13.69 O ATOM 969 CB ALA A 402 51.909 45.980 27.399 1.00 14.29 C ATOM 970 H ALA A 402 50.128 47.783 27.666 1.00 0.00 H ATOM 971 N ASN A 403 52.805 45.681 30.522 1.00 13.66 N ATOM 972 CA ASN A 403 53.935 45.750 31.451 1.00 15.17 C ATOM 973 C ASN A 403 53.795 46.925 32.423 1.00 14.62 C ATOM 974 O ASN A 403 54.785 47.576 32.754 1.00 15.90 O ATOM 975 CB ASN A 403 55.272 45.846 30.687 1.00 18.77 C ATOM 976 CG ASN A 403 55.644 44.547 29.939 1.00 22.40 C ATOM 977 OD1 ASN A 403 55.525 43.439 30.475 1.00 22.21 O ATOM 978 ND2 ASN A 403 56.120 44.693 28.709 1.00 26.50 N ATOM 979 HD22 ASN A 403 56.205 45.643 28.293 1.00 0.00 H ATOM 980 HD21 ASN A 403 56.408 43.858 28.161 1.00 0.00 H ATOM 981 H ASN A 403 52.282 44.784 30.464 1.00 0.00 H ATOM 982 N SER A 404 52.582 47.155 32.911 1.00 13.63 N ATOM 983 CA SER A 404 52.312 48.292 33.775 1.00 13.71 C ATOM 984 C SER A 404 51.824 47.855 35.146 1.00 13.17 C ATOM 985 O SER A 404 51.265 46.764 35.328 1.00 13.67 O ATOM 986 CB SER A 404 51.303 49.237 33.116 1.00 13.81 C ATOM 987 OG SER A 404 51.861 49.779 31.914 1.00 14.39 O ATOM 988 HG SER A 404 52.687 50.280 32.132 1.00 0.00 H ATOM 989 H SER A 404 51.806 46.506 32.669 1.00 0.00 H ATOM 990 N ARG A 405 52.116 48.704 36.119 1.00 10.64 N ATOM 991 CA ARG A 405 51.861 48.414 37.497 1.00 9.61 C ATOM 992 C ARG A 405 51.765 49.719 38.272 1.00 9.60 C ATOM 993 O ARG A 405 52.023 50.806 37.747 1.00 11.39 O ATOM 994 CB ARG A 405 52.963 47.536 38.087 1.00 10.39 C ATOM 995 CG ARG A 405 54.340 48.156 37.979 1.00 11.82 C ATOM 996 CD ARG A 405 55.448 47.177 38.292 1.00 13.04 C ATOM 997 NE ARG A 405 56.741 47.765 37.941 1.00 13.30 N ATOM 998 CZ ARG A 405 57.439 48.568 38.727 1.00 13.50 C ATOM 999 NH1 ARG A 405 57.005 48.864 39.943 1.00 13.56 N ATOM 1000 NH2 ARG A 405 58.601 49.044 38.301 1.00 15.76 N ATOM 1001 HE ARG A 405 57.139 47.536 37.008 1.00 0.00 H ATOM 1002 HH12 ARG A 405 57.561 49.496 40.554 1.00 0.00 H ATOM 1003 HH11 ARG A 405 56.109 48.464 40.287 1.00 0.00 H ATOM 1004 HH22 ARG A 405 59.159 49.676 38.910 1.00 0.00 H ATOM 1005 HH21 ARG A 405 58.955 48.785 37.358 1.00 0.00 H ATOM 1006 H ARG A 405 52.548 49.617 35.872 1.00 0.00 H ATOM 1007 N VAL A 406 51.421 49.608 39.546 1.00 10.12 N ATOM 1008 CA VAL A 406 51.286 50.759 40.401 1.00 10.91 C ATOM 1009 C VAL A 406 52.346 50.682 41.491 1.00 12.30 C ATOM 1010 O VAL A 406 52.467 49.655 42.166 1.00 14.09 O ATOM 1011 CB VAL A 406 49.886 50.827 41.028 1.00 10.48 C ATOM 1012 CG1 VAL A 406 49.754 52.100 41.859 1.00 11.59 C ATOM 1013 CG2 VAL A 406 48.815 50.749 39.950 1.00 10.88 C ATOM 1014 H VAL A 406 51.243 48.662 39.940 1.00 0.00 H ATOM 1015 N ASP A 407 53.103 51.750 41.650 1.00 12.38 N ATOM 1016 CA ASP A 407 54.155 51.761 42.672 1.00 14.22 C ATOM 1017 C ASP A 407 53.625 52.265 44.036 1.00 18.40 C ATOM 1018 O ASP A 407 52.424 52.487 44.208 1.00 16.39 O ATOM 1019 CB ASP A 407 55.374 52.563 42.164 1.00 15.37 C ATOM 1020 CG ASP A 407 55.204 54.068 42.212 1.00 17.42 C ATOM 1021 OD1 ASP A 407 54.257 54.604 42.821 1.00 16.79 O ATOM 1022 OD2 ASP A 407 56.111 54.743 41.666 1.00 19.83 O ATOM 1023 H ASP A 407 52.954 52.586 41.050 1.00 0.00 H ATOM 1024 N SER A 408 54.512 52.408 45.020 1.00 25.67 N ATOM 1025 CA SER A 408 54.070 52.661 46.397 1.00 30.92 C ATOM 1026 C SER A 408 53.405 54.030 46.583 1.00 29.10 C ATOM 1027 O SER A 408 52.638 54.239 47.543 1.00 30.40 O ATOM 1028 CB SER A 408 55.245 52.529 47.363 1.00 37.50 C ATOM 1029 OG SER A 408 56.319 53.344 46.936 1.00 42.35 O ATOM 1030 HG SER A 408 57.074 53.251 47.569 1.00 0.00 H ATOM 1031 H SER A 408 55.528 52.340 44.810 1.00 0.00 H ATOM 1032 N SER A 409 53.699 54.970 45.688 1.00 27.68 N ATOM 1033 CA SER A 409 53.120 56.305 45.791 1.00 27.41 C ATOM 1034 C SER A 409 51.822 56.408 45.018 1.00 25.39 C ATOM 1035 O SER A 409 51.187 57.463 45.009 1.00 26.58 O ATOM 1036 CB SER A 409 54.102 57.356 45.276 1.00 28.94 C ATOM 1037 OG SER A 409 54.047 57.426 43.858 1.00 29.09 O ATOM 1038 HG SER A 409 54.285 56.544 43.476 1.00 0.00 H ATOM 1039 H SER A 409 54.349 54.750 44.906 1.00 0.00 H ATOM 1040 N GLY A 410 51.423 55.307 44.376 1.00 20.66 N ATOM 1041 CA GLY A 410 50.225 55.296 43.568 1.00 16.77 C ATOM 1042 C GLY A 410 50.471 55.662 42.118 1.00 14.88 C ATOM 1043 O GLY A 410 49.540 55.755 41.334 1.00 15.74 O ATOM 1044 H GLY A 410 51.987 54.438 44.459 1.00 0.00 H ATOM 1045 N ARG A 411 51.734 55.803 41.717 1.00 13.50 N ATOM 1046 CA ARG A 411 52.041 56.166 40.347 1.00 12.52 C ATOM 1047 C ARG A 411 52.032 54.932 39.436 1.00 11.33 C ATOM 1048 O ARG A 411 52.468 53.834 39.831 1.00 12.26 O ATOM 1049 CB ARG A 411 53.383 56.893 40.281 1.00 13.92 C ATOM 1050 CG ARG A 411 53.221 58.364 40.697 1.00 18.46 C ATOM 1051 CD ARG A 411 54.469 59.056 41.172 1.00 24.88 C ATOM 1052 NE ARG A 411 54.165 60.427 41.608 1.00 29.32 N ATOM 1053 CZ ARG A 411 53.719 60.764 42.821 1.00 32.49 C ATOM 1054 NH1 ARG A 411 53.516 59.844 43.735 1.00 32.31 N ATOM 1055 NH2 ARG A 411 53.471 62.030 43.128 1.00 34.68 N ATOM 1056 HE ARG A 411 54.308 61.193 40.919 1.00 0.00 H ATOM 1057 HH12 ARG A 411 53.169 60.115 44.677 1.00 0.00 H ATOM 1058 HH11 ARG A 411 53.703 58.844 43.517 1.00 0.00 H ATOM 1059 HH22 ARG A 411 53.124 62.277 44.077 1.00 0.00 H ATOM 1060 HH21 ARG A 411 53.623 62.776 42.420 1.00 0.00 H ATOM 1061 H ARG A 411 52.508 55.651 42.394 1.00 0.00 H ATOM 1062 N ILE A 412 51.523 55.115 38.219 1.00 10.32 N ATOM 1063 CA ILE A 412 51.518 54.069 37.205 1.00 10.39 C ATOM 1064 C ILE A 412 52.893 54.050 36.552 1.00 12.17 C ATOM 1065 O ILE A 412 53.347 55.065 36.021 1.00 15.15 O ATOM 1066 CB ILE A 412 50.422 54.291 36.149 1.00 12.31 C ATOM 1067 CG1 ILE A 412 49.043 54.321 36.806 1.00 12.08 C ATOM 1068 CG2 ILE A 412 50.526 53.222 35.062 1.00 13.67 C ATOM 1069 CD1 ILE A 412 48.003 55.081 36.033 1.00 13.24 C ATOM 1070 H ILE A 412 51.113 56.041 37.983 1.00 0.00 H ATOM 1071 N VAL A 413 53.528 52.877 36.610 1.00 11.89 N ATOM 1072 CA VAL A 413 54.860 52.632 36.050 1.00 11.92 C ATOM 1073 C VAL A 413 54.728 51.652 34.891 1.00 12.19 C ATOM 1074 O VAL A 413 53.963 50.684 34.997 1.00 11.16 O ATOM 1075 CB VAL A 413 55.824 52.052 37.118 1.00 11.78 C ATOM 1076 CG1 VAL A 413 57.185 51.760 36.513 1.00 12.59 C ATOM 1077 CG2 VAL A 413 55.954 52.984 38.310 1.00 11.87 C ATOM 1078 H VAL A 413 53.046 52.086 37.083 1.00 0.00 H ATOM 1079 N THR A 414 55.458 51.887 33.803 1.00 14.56 N ATOM 1080 CA THR A 414 55.507 50.922 32.723 1.00 17.16 C ATOM 1081 C THR A 414 56.941 50.469 32.569 1.00 18.51 C ATOM 1082 O THR A 414 57.846 51.291 32.423 1.00 21.84 O ATOM 1083 CB THR A 414 54.968 51.524 31.426 1.00 19.75 C ATOM 1084 OG1 THR A 414 53.619 51.961 31.633 1.00 20.10 O ATOM 1085 CG2 THR A 414 54.973 50.514 30.318 1.00 21.07 C ATOM 1086 HG1 THR A 414 53.060 51.188 31.898 1.00 0.00 H ATOM 1087 H THR A 414 55.999 52.772 33.727 1.00 0.00 H ATOM 1088 N ASP A 415 57.155 49.163 32.593 1.00 17.59 N ATOM 1089 CA ASP A 415 58.492 48.621 32.464 1.00 20.65 C ATOM 1090 C ASP A 415 58.814 48.323 31.007 1.00 28.54 C ATOM 1091 O ASP A 415 58.008 48.551 30.104 1.00 27.25 O ATOM 1092 CB ASP A 415 58.644 47.351 33.301 1.00 17.70 C ATOM 1093 CG ASP A 415 58.315 47.573 34.767 1.00 17.37 C ATOM 1094 OD1 ASP A 415 59.022 48.389 35.414 1.00 17.64 O ATOM 1095 OD2 ASP A 415 57.388 46.900 35.272 1.00 15.98 O ATOM 1096 OXT ASP A 415 59.913 47.855 30.709 1.00 35.59 O ATOM 1097 H ASP A 415 56.349 48.515 32.706 1.00 0.00 H TER 1098 ASP A 415 HETATM 1099 O HOH 1 36.894 48.771 36.443 1.00 39.93 O HETATM 1100 O HOH 2 39.558 74.521 35.400 1.00 40.69 O HETATM 1101 O HOH 3 45.603 75.296 34.770 1.00 30.68 O HETATM 1102 O HOH 4 31.992 51.155 36.683 1.00 29.93 O HETATM 1103 O HOH 5 38.206 50.267 42.532 1.00 40.31 O HETATM 1104 O HOH 6 45.023 74.265 37.162 1.00 30.44 O HETATM 1105 O HOH 7 43.983 63.252 23.002 1.00 26.79 O HETATM 1106 O HOH 8 26.143 53.509 21.438 1.00 29.10 O HETATM 1107 O HOH 9 46.519 64.890 40.964 1.00 31.15 O HETATM 1108 O HOH 10 38.064 47.363 40.123 1.00 44.85 O HETATM 1109 O HOH 11 27.196 51.960 23.376 1.00 30.63 O HETATM 1110 O HOH 12 39.054 72.928 37.418 1.00 20.68 O HETATM 1111 O HOH 13 40.243 45.716 36.816 1.00 45.94 O HETATM 1112 O HOH 14 25.991 49.653 24.794 1.00 33.93 O HETATM 1113 O HOH 15 41.352 61.028 42.888 1.00 10.42 O HETATM 1114 O HOH 16 28.877 63.279 39.759 1.00 25.07 O HETATM 1115 O HOH 17 48.452 49.758 44.460 1.00 17.99 O HETATM 1116 O HOH 18 33.513 55.530 34.371 1.00 10.37 O HETATM 1117 O HOH 19 41.744 50.620 42.684 1.00 21.11 O HETATM 1118 O HOH 20 28.349 73.064 28.831 1.00 38.39 O HETATM 1119 O HOH 21 53.337 44.478 35.390 1.00 21.41 O HETATM 1120 O HOH 22 61.232 49.714 34.781 1.00 46.61 O HETATM 1121 O HOH 23 53.262 54.485 29.335 1.00 25.63 O HETATM 1122 O HOH 24 22.434 55.204 21.787 1.00 16.21 O HETATM 1123 O HOH 25 49.008 59.258 36.320 1.00 26.73 O HETATM 1124 O HOH 26 26.994 65.575 27.623 1.00 26.39 O HETATM 1125 O HOH 27 36.344 49.385 31.360 1.00 26.86 O HETATM 1126 O HOH 28 36.094 64.178 47.321 1.00 28.95 O HETATM 1127 O HOH 29 40.318 56.254 44.051 1.00 11.58 O HETATM 1128 O HOH 30 50.340 44.958 37.101 1.00 31.51 O HETATM 1129 O HOH 31 25.541 54.423 36.594 1.00 20.30 O HETATM 1130 O HOH 32 48.190 75.295 24.000 1.00 31.08 O HETATM 1131 O HOH 33 30.387 73.493 20.402 1.00 18.42 O HETATM 1132 O HOH 34 46.102 43.044 32.082 1.00 28.05 O HETATM 1133 O HOH 35 24.128 57.857 32.778 1.00 24.62 O HETATM 1134 O HOH 36 26.786 55.244 34.177 1.00 16.84 O HETATM 1135 O HOH 37 48.275 70.997 21.764 1.00 32.94 O HETATM 1136 O HOH 38 25.821 59.627 25.809 1.00 18.43 O HETATM 1137 O HOH 39 26.225 69.236 20.968 1.00 38.03 O HETATM 1138 O HOH 40 47.584 57.086 45.626 1.00 24.01 O HETATM 1139 O HOH 41 41.598 75.300 36.547 1.00 39.78 O HETATM 1140 O HOH 42 52.231 51.334 26.379 1.00 14.84 O HETATM 1141 O HOH 43 50.995 72.801 28.836 1.00 22.49 O HETATM 1142 O HOH 44 48.575 46.144 38.190 1.00 32.15 O HETATM 1143 O HOH 45 44.905 68.359 26.900 1.00 12.10 O HETATM 1144 O HOH 46 56.960 56.704 39.920 1.00 29.30 O HETATM 1145 O HOH 47 48.032 68.189 32.769 1.00 24.67 O HETATM 1146 O HOH 48 55.882 44.790 34.321 1.00 20.95 O HETATM 1147 O HOH 49 51.758 52.563 49.567 1.00 55.63 O HETATM 1148 O HOH 50 31.883 51.680 32.239 1.00 21.97 O HETATM 1149 O HOH 51 29.016 52.079 16.839 1.00 40.45 O HETATM 1150 O HOH 52 49.814 45.496 32.776 1.00 20.46 O HETATM 1151 O HOH 53 45.526 67.853 33.326 1.00 19.32 O HETATM 1152 O HOH 54 54.619 48.051 41.457 1.00 13.72 O HETATM 1153 O HOH 55 60.015 51.339 38.990 1.00 43.66 O HETATM 1154 O HOH 56 36.681 51.765 39.164 1.00 38.30 O HETATM 1155 O HOH 57 29.533 72.423 33.045 1.00 23.70 O HETATM 1156 O HOH 58 40.230 75.503 23.341 1.00 36.97 O HETATM 1157 O HOH 59 44.193 63.011 42.377 1.00 18.40 O HETATM 1158 O HOH 60 28.632 63.122 18.899 1.00 45.12 O HETATM 1159 O HOH 61 30.042 70.009 22.857 1.00 19.91 O HETATM 1160 O HOH 62 50.172 66.328 40.393 1.00 27.72 O HETATM 1161 O HOH 63 50.188 51.636 45.670 1.00 22.05 O HETATM 1162 O HOH 64 35.281 54.820 41.108 1.00 30.63 O HETATM 1163 O HOH 65 44.341 74.284 24.061 1.00 38.06 O HETATM 1164 O HOH 66 50.515 47.166 40.595 1.00 15.86 O HETATM 1165 O HOH 67 29.851 66.089 36.392 1.00 13.27 O HETATM 1166 O HOH 68 50.530 57.739 37.600 1.00 18.79 O HETATM 1167 O HOH 69 40.188 69.843 40.625 1.00 28.51 O HETATM 1168 O HOH 70 42.156 67.359 40.261 1.00 22.24 O HETATM 1169 O HOH 71 36.152 77.343 19.982 1.00 22.19 O HETATM 1170 O HOH 72 50.182 55.664 47.883 1.00 45.53 O HETATM 1171 O HOH 73 60.522 51.979 31.725 1.00 41.36 O HETATM 1172 O HOH 74 46.246 58.621 48.291 1.00 38.17 O HETATM 1173 O HOH 75 52.296 69.650 29.101 1.00 17.17 O HETATM 1174 O HOH 76 58.339 62.618 48.232 1.00 49.71 O HETATM 1175 O HOH 77 41.553 71.239 21.571 1.00 27.86 O HETATM 1176 O HOH 78 29.585 80.869 21.923 1.00 28.71 O HETATM 1177 O HOH 79 43.868 59.822 49.000 1.00 23.28 O HETATM 1178 O HOH 80 40.432 47.313 34.511 1.00 28.86 O HETATM 1179 O HOH 81 29.468 69.082 40.361 1.00 31.25 O HETATM 1180 O HOH 82 30.457 73.657 37.161 1.00 33.44 O HETATM 1181 O HOH 83 53.074 54.600 32.767 1.00 30.11 O HETATM 1182 O HOH 84 53.791 49.063 27.360 1.00 25.20 O HETATM 1183 O HOH 85 31.529 72.358 22.537 1.00 24.19 O HETATM 1184 O HOH 86 41.250 75.741 27.787 1.00 34.45 O HETATM 1185 O HOH 87 49.020 61.814 33.145 1.00 20.18 O HETATM 1186 O HOH 88 30.569 51.371 22.967 1.00 28.65 O HETATM 1187 O HOH 89 56.883 54.439 33.774 1.00 24.53 O HETATM 1188 O HOH 90 27.844 75.211 25.260 1.00 31.21 O HETATM 1189 O HOH 91 29.142 49.045 39.093 1.00 36.71 O HETATM 1190 O HOH 92 58.619 50.665 41.605 1.00 39.32 O HETATM 1191 O HOH 93 37.593 68.954 43.722 1.00 21.34 O HETATM 1192 O HOH 94 54.311 41.784 32.575 1.00 37.50 O HETATM 1193 O HOH 95 58.661 53.400 41.049 1.00 24.55 O HETATM 1194 O HOH 96 45.883 77.689 31.254 1.00 29.90 O HETATM 1195 O HOH 97 25.875 68.474 29.014 1.00 47.72 O HETATM 1196 O HOH 98 32.782 52.201 38.311 1.00 26.81 O HETATM 1197 O HOH 99 41.537 54.131 45.238 1.00 13.00 O HETATM 1198 O HOH 100 27.312 80.197 23.484 1.00 38.50 O HETATM 1199 O HOH 101 48.933 53.874 46.417 1.00 21.19 O HETATM 1200 O HOH 102 47.169 73.036 37.888 1.00 25.21 O HETATM 1201 O HOH 103 35.071 72.794 42.664 1.00 28.37 O HETATM 1202 O HOH 104 29.018 77.113 28.298 1.00 39.32 O HETATM 1203 O HOH 105 31.555 49.583 25.502 1.00 34.22 O HETATM 1204 O HOH 106 34.563 77.774 26.954 1.00 28.41 O HETATM 1205 O HOH 107 31.687 48.542 37.189 1.00 43.37 O HETATM 1206 O HOH 108 22.688 66.376 34.575 1.00 40.98 O HETATM 1207 O HOH 109 28.444 75.122 28.470 1.00 39.45 O HETATM 1208 O HOH 110 36.215 77.546 36.434 1.00 42.90 O HETATM 1209 O HOH 111 56.036 66.511 51.357 1.00 53.71 O HETATM 1210 O HOH 112 44.408 65.599 42.844 1.00 29.52 O HETATM 1211 O HOH 113 27.398 70.888 34.328 1.00 35.15 O HETATM 1212 O HOH 114 33.736 79.696 22.277 1.00 34.47 O HETATM 1213 O HOH 115 55.622 47.333 26.619 1.00 34.83 O HETATM 1214 O HOH 116 25.732 51.321 19.832 1.00 46.12 O HETATM 1215 O HOH 117 40.283 51.685 44.695 1.00 14.57 O HETATM 1216 O HOH 118 44.313 67.030 40.784 1.00 42.10 O HETATM 1217 O HOH 119 56.996 49.850 43.478 1.00 33.25 O HETATM 1218 O HOH 120 38.002 47.777 33.171 1.00 31.91 O HETATM 1219 O HOH 121 28.760 67.661 38.255 1.00 25.02 O HETATM 1220 O HOH 122 32.009 51.525 21.036 1.00 51.55 O HETATM 1221 O HOH 123 27.416 69.849 36.589 1.00 38.13 O HETATM 1222 O HOH 124 31.828 59.189 19.300 1.00 42.54 O HETATM 1223 O HOH 125 31.129 52.299 40.175 1.00 45.75 O HETATM 1224 O HOH 126 28.239 70.201 20.591 1.00 32.48 O HETATM 1225 O HOH 127 43.037 69.540 21.873 1.00 36.66 O HETATM 1226 O HOH 128 38.045 78.380 21.434 1.00 43.63 O HETATM 1227 O HOH 129 46.994 53.007 48.552 1.00 48.85 O HETATM 1228 O HOH 130 26.607 73.770 26.377 1.00 70.67 O HETATM 1229 O HOH 131 29.084 72.101 39.443 1.00 40.28 O HETATM 1230 O HOH 132 46.930 45.961 42.227 1.00 42.51 O HETATM 1231 O HOH 133 49.648 73.164 43.212 1.00 37.25 O HETATM 1232 O HOH 134 42.107 67.334 20.490 1.00 41.57 O HETATM 1233 O HOH 135 56.020 53.205 28.341 1.00 29.08 O HETATM 1234 O HOH 136 39.569 70.515 43.813 1.00 64.47 O HETATM 1235 O HOH 137 40.024 66.927 47.108 1.00 47.37 O HETATM 1236 O HOH 138 51.047 50.045 47.860 1.00 35.83 O HETATM 1237 O HOH 139 33.765 77.018 37.583 1.00 43.81 O HETATM 1238 O HOH 140 35.081 73.999 40.374 1.00 48.26 O HETATM 1239 O HOH 141 48.915 48.915 48.915 1.00 27.74 O HETATM 1240 O HOH 142 46.734 56.394 24.177 1.00 32.72 O HETATM 1241 O HOH 143 42.300 61.147 17.239 1.00 29.53 O HETATM 1242 O HOH 144 37.437 61.049 18.317 1.00 28.68 O HETATM 1243 O HOH 145 41.791 64.615 21.962 1.00 21.81 O HETATM 1244 O HOH 146 39.951 58.700 18.327 1.00 30.66 O HETATM 1245 N LYS A 147 40.866 43.276 25.790 1.00 0.24 N HETATM 1246 CA LYS A 147 40.010 42.567 24.834 1.00 0.07 C HETATM 1247 C LYS A 147 38.618 43.171 24.986 1.00 0.23 C HETATM 1248 O LYS A 147 38.154 43.399 26.106 1.00 -0.39 O HETATM 1249 N LYS A 147 37.961 43.444 23.862 1.00 -0.26 N HETATM 1250 CA LYS A 147 36.776 44.298 23.852 1.00 0.15 C HETATM 1251 C LYS A 147 37.187 45.695 24.302 1.00 0.21 C HETATM 1252 O LYS A 147 36.363 46.512 24.712 1.00 -0.39 O HETATM 1253 N LYS A 147 38.484 45.951 24.207 1.00 -0.26 N HETATM 1254 CA LYS A 147 39.061 47.225 24.581 1.00 0.14 C HETATM 1255 C LYS A 147 38.814 48.251 23.484 1.00 0.21 C HETATM 1256 O LYS A 147 38.860 47.929 22.295 1.00 -0.39 O HETATM 1257 N LYS A 147 38.543 49.486 23.889 1.00 -0.26 N HETATM 1258 CA LYS A 147 38.315 50.577 22.949 1.00 0.13 C HETATM 1259 C LYS A 147 38.972 51.822 23.468 1.00 0.20 C HETATM 1260 O LYS A 147 39.010 52.025 24.679 1.00 -0.39 O HETATM 1261 N LYS A 147 39.455 52.656 22.548 1.00 -0.26 N HETATM 1262 CA LYS A 147 40.078 53.932 22.880 1.00 0.13 C HETATM 1263 C LYS A 147 39.589 55.011 21.905 1.00 0.20 C HETATM 1264 O LYS A 147 39.394 54.735 20.719 1.00 -0.39 O HETATM 1265 N LYS A 147 39.342 56.219 22.415 1.00 -0.26 N HETATM 1266 CA LYS A 147 38.814 57.329 21.626 1.00 0.16 C HETATM 1267 C LYS A 147 39.361 58.653 22.124 1.00 0.21 C HETATM 1268 O LYS A 147 39.456 58.867 23.324 1.00 -0.39 O HETATM 1269 N LYS A 147 39.700 59.546 21.198 1.00 -0.26 N HETATM 1270 CA LYS A 147 40.075 60.914 21.539 1.00 0.15 C HETATM 1271 C LYS A 147 38.842 61.776 21.692 1.00 0.21 C HETATM 1272 O LYS A 147 37.937 61.701 20.853 1.00 -0.39 O HETATM 1273 N LYS A 147 38.822 62.602 22.742 1.00 -0.27 N HETATM 1274 CA LYS A 147 37.715 63.521 22.970 1.00 0.10 C HETATM 1275 C LYS A 147 38.255 64.933 23.176 1.00 0.06 C HETATM 1276 O LYS A 147 37.449 65.871 23.238 1.00 -0.57 O HETATM 1277 OXT LYS A 147 39.473 65.163 23.289 1.00 -0.57 O HETATM 1278 CB LYS A 147 36.848 63.083 24.188 1.00 -0.01 C HETATM 1279 CG1 LYS A 147 36.199 61.749 23.919 1.00 -0.06 C HETATM 1280 H67 LYS A 147 35.592 61.455 24.788 1.00 0.02 H HETATM 1281 H68 LYS A 147 36.977 60.992 23.742 1.00 0.02 H HETATM 1282 H69 LYS A 147 35.555 61.827 23.031 1.00 0.02 H HETATM 1283 CG2 LYS A 147 37.669 62.987 25.437 1.00 -0.06 C HETATM 1284 H70 LYS A 147 38.145 63.958 25.638 1.00 0.02 H HETATM 1285 H71 LYS A 147 38.445 62.218 25.308 1.00 0.02 H HETATM 1286 H72 LYS A 147 37.020 62.715 26.282 1.00 0.02 H HETATM 1287 H66 LYS A 147 36.061 63.836 24.342 1.00 0.03 H HETATM 1288 H65 LYS A 147 37.074 63.519 22.076 1.00 0.07 H HETATM 1289 H64 LYS A 147 39.586 62.589 23.387 1.00 0.19 H HETATM 1290 CB LYS A 147 40.970 61.531 20.462 1.00 0.08 C HETATM 1291 OG LYS A 147 42.092 60.711 20.205 1.00 -0.39 O HETATM 1292 H63 LYS A 147 42.599 60.611 21.002 1.00 0.21 H HETATM 1293 H61 LYS A 147 41.316 62.517 20.804 1.00 0.06 H HETATM 1294 H62 LYS A 147 40.389 61.647 19.535 1.00 0.06 H HETATM 1295 H60 LYS A 147 40.624 60.899 22.492 1.00 0.08 H HETATM 1296 H59 LYS A 147 39.698 59.270 20.237 1.00 0.19 H HETATM 1297 CB LYS A 147 37.260 57.406 21.704 1.00 0.09 C HETATM 1298 OG1 LYS A 147 36.690 56.170 21.261 1.00 -0.39 O HETATM 1299 H55 LYS A 147 36.998 55.463 21.816 1.00 0.21 H HETATM 1300 CG2 LYS A 147 36.716 58.547 20.864 1.00 -0.03 C HETATM 1301 H56 LYS A 147 35.619 58.570 20.943 1.00 0.03 H HETATM 1302 H57 LYS A 147 37.005 58.398 19.813 1.00 0.03 H HETATM 1303 H58 LYS A 147 37.130 59.499 21.227 1.00 0.03 H HETATM 1304 H54 LYS A 147 36.972 57.575 22.752 1.00 0.06 H HETATM 1305 H53 LYS A 147 39.114 57.184 20.578 1.00 0.08 H HETATM 1306 H52 LYS A 147 39.528 56.372 23.386 1.00 0.19 H HETATM 1307 CB LYS A 147 41.604 53.790 22.844 1.00 0.00 C HETATM 1308 CG LYS A 147 42.369 55.017 23.298 1.00 0.04 C HETATM 1309 CD LYS A 147 43.690 54.703 24.004 1.00 0.17 C HETATM 1310 OE1 LYS A 147 44.358 55.623 24.478 1.00 -0.40 O HETATM 1311 NE2 LYS A 147 44.071 53.411 24.078 1.00 -0.30 N HETATM 1312 H50 LYS A 147 44.928 53.168 24.532 1.00 0.18 H HETATM 1313 H51 LYS A 147 43.496 52.697 23.679 1.00 0.18 H HETATM 1314 H48 LYS A 147 41.732 55.584 23.993 1.00 0.05 H HETATM 1315 H49 LYS A 147 42.588 55.635 22.414 1.00 0.05 H HETATM 1316 H46 LYS A 147 41.902 53.565 21.809 1.00 0.03 H HETATM 1317 H47 LYS A 147 41.885 52.951 23.497 1.00 0.03 H HETATM 1318 H45 LYS A 147 39.779 54.220 23.899 1.00 0.08 H HETATM 1319 H44 LYS A 147 39.387 52.395 21.585 1.00 0.19 H HETATM 1320 CB LYS A 147 36.822 50.832 22.756 1.00 -0.01 C HETATM 1321 CG LYS A 147 36.031 49.569 22.494 1.00 -0.04 C HETATM 1322 CD LYS A 147 34.557 49.860 22.312 1.00 -0.01 C HETATM 1323 CE LYS A 147 33.684 48.788 22.973 1.00 -0.04 C HETATM 1324 NZ LYS A 147 34.019 47.395 22.556 1.00 0.22 N HETATM 1325 H41 LYS A 147 33.408 46.747 23.028 1.00 0.20 H HETATM 1326 H42 LYS A 147 34.976 47.192 22.799 1.00 0.20 H HETATM 1327 H43 LYS A 147 33.899 47.305 21.559 1.00 0.20 H HETATM 1328 H39 LYS A 147 32.634 48.985 22.710 1.00 0.08 H HETATM 1329 H40 LYS A 147 33.809 48.863 24.063 1.00 0.08 H HETATM 1330 H37 LYS A 147 34.330 49.892 21.236 1.00 0.03 H HETATM 1331 H38 LYS A 147 34.327 50.836 22.764 1.00 0.03 H HETATM 1332 H35 LYS A 147 36.157 48.886 23.347 1.00 0.03 H HETATM 1333 H36 LYS A 147 36.415 49.090 21.581 1.00 0.03 H HETATM 1334 H33 LYS A 147 36.691 51.511 21.900 1.00 0.03 H HETATM 1335 H34 LYS A 147 36.428 51.309 23.666 1.00 0.03 H HETATM 1336 H32 LYS A 147 38.759 50.310 21.979 1.00 0.08 H HETATM 1337 H31 LYS A 147 38.494 49.674 24.870 1.00 0.19 H HETATM 1338 CB LYS A 147 40.554 47.045 24.849 1.00 0.02 C HETATM 1339 CG LYS A 147 41.418 48.166 24.343 1.00 -0.05 C HETATM 1340 CD1 LYS A 147 41.798 48.219 23.014 1.00 -0.07 C HETATM 1341 CE1 LYS A 147 42.574 49.239 22.540 1.00 -0.04 C HETATM 1342 CZ LYS A 147 43.010 50.211 23.401 1.00 0.08 C HETATM 1343 CE2 LYS A 147 42.660 50.186 24.739 1.00 -0.04 C HETATM 1344 CD2 LYS A 147 41.870 49.157 25.200 1.00 -0.07 C HETATM 1345 H27 LYS A 147 41.597 49.121 26.249 1.00 0.05 H HETATM 1346 H29 LYS A 147 43.002 50.963 25.413 1.00 0.05 H HETATM 1347 OH LYS A 147 43.792 51.207 22.915 1.00 -0.34 O HETATM 1348 H30 LYS A 147 43.934 51.072 21.985 1.00 0.25 H HETATM 1349 H28 LYS A 147 42.843 49.279 21.491 1.00 0.05 H HETATM 1350 H26 LYS A 147 41.474 47.437 22.336 1.00 0.05 H HETATM 1351 H24 LYS A 147 40.880 46.114 24.363 1.00 0.05 H HETATM 1352 H25 LYS A 147 40.700 46.962 25.936 1.00 0.05 H HETATM 1353 H23 LYS A 147 38.578 47.578 25.504 1.00 0.08 H HETATM 1354 H22 LYS A 147 39.090 45.234 23.862 1.00 0.19 H HETATM 1355 CB LYS A 147 35.678 43.733 24.748 1.00 0.08 C HETATM 1356 CG LYS A 147 35.380 42.277 24.447 1.00 0.18 C HETATM 1357 OD1 LYS A 147 35.281 41.449 25.353 1.00 -0.40 O HETATM 1358 ND2 LYS A 147 35.250 41.955 23.162 1.00 -0.30 N HETATM 1359 H20 LYS A 147 35.053 41.010 22.901 1.00 0.18 H HETATM 1360 H21 LYS A 147 35.349 42.658 22.458 1.00 0.18 H HETATM 1361 H18 LYS A 147 34.761 44.320 24.596 1.00 0.06 H HETATM 1362 H19 LYS A 147 35.999 43.819 25.797 1.00 0.06 H HETATM 1363 H17 LYS A 147 36.388 44.355 22.824 1.00 0.08 H HETATM 1364 H16 LYS A 147 38.287 43.054 23.001 1.00 0.19 H HETATM 1365 CB LYS A 147 39.974 41.056 25.059 1.00 0.01 C HETATM 1366 CG LYS A 147 39.376 40.291 23.894 1.00 -0.04 C HETATM 1367 CD LYS A 147 40.440 39.961 22.866 1.00 -0.01 C HETATM 1368 CE LYS A 147 40.997 38.569 23.086 1.00 -0.04 C HETATM 1369 NZ LYS A 147 40.011 37.530 22.687 1.00 0.22 N HETATM 1370 H13 LYS A 147 40.405 36.615 22.843 1.00 0.20 H HETATM 1371 H14 LYS A 147 39.787 37.637 21.710 1.00 0.20 H HETATM 1372 H15 LYS A 147 39.173 37.633 23.238 1.00 0.20 H HETATM 1373 H11 LYS A 147 41.240 38.443 24.151 1.00 0.08 H HETATM 1374 H12 LYS A 147 41.910 38.448 22.485 1.00 0.08 H HETATM 1375 H9 LYS A 147 41.258 40.692 22.948 1.00 0.03 H HETATM 1376 H10 LYS A 147 39.998 40.016 21.860 1.00 0.03 H HETATM 1377 H7 LYS A 147 38.596 40.905 23.421 1.00 0.03 H HETATM 1378 H8 LYS A 147 38.931 39.356 24.266 1.00 0.03 H HETATM 1379 H5 LYS A 147 39.373 40.851 25.957 1.00 0.03 H HETATM 1380 H6 LYS A 147 41.003 40.702 25.218 1.00 0.03 H HETATM 1381 H4 LYS A 147 40.381 42.752 23.815 1.00 0.11 H HETATM 1382 H1 LYS A 147 41.805 42.915 25.732 1.00 0.20 H HETATM 1383 H2 LYS A 147 40.511 43.141 26.724 1.00 0.20 H HETATM 1384 H3 LYS A 147 40.871 44.260 25.571 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1245 1246 1382 1383 1384 CONECT 1246 1245 1247 1365 1381 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1364 CONECT 1250 1249 1251 1355 1363 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1354 CONECT 1254 1253 1255 1338 1353 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1337 CONECT 1258 1257 1259 1320 1336 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1319 CONECT 1262 1261 1263 1307 1318 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1306 CONECT 1266 1265 1267 1297 1305 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1296 CONECT 1270 1269 1271 1290 1295 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1289 CONECT 1274 1273 1275 1278 1288 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 CONECT 1278 1274 1279 1283 1287 CONECT 1279 1278 1280 1281 1282 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1279 CONECT 1283 1278 1284 1285 1286 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1278 CONECT 1288 1274 CONECT 1289 1273 CONECT 1290 1270 1291 1293 1294 CONECT 1291 1290 1292 CONECT 1292 1291 CONECT 1293 1290 CONECT 1294 1290 CONECT 1295 1270 CONECT 1296 1269 CONECT 1297 1266 1298 1300 1304 CONECT 1298 1297 1299 CONECT 1299 1298 CONECT 1300 1297 1301 1302 1303 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1300 CONECT 1304 1297 CONECT 1305 1266 CONECT 1306 1265 CONECT 1307 1262 1308 1316 1317 CONECT 1308 1307 1309 1314 1315 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 1312 1313 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1308 CONECT 1315 1308 CONECT 1316 1307 CONECT 1317 1307 CONECT 1318 1262 CONECT 1319 1261 CONECT 1320 1258 1321 1334 1335 CONECT 1321 1320 1322 1332 1333 CONECT 1322 1321 1323 1330 1331 CONECT 1323 1322 1324 1328 1329 CONECT 1324 1323 1325 1326 1327 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1324 CONECT 1328 1323 CONECT 1329 1323 CONECT 1330 1322 CONECT 1331 1322 CONECT 1332 1321 CONECT 1333 1321 CONECT 1334 1320 CONECT 1335 1320 CONECT 1336 1258 CONECT 1337 1257 CONECT 1338 1254 1339 1351 1352 CONECT 1339 1338 1340 1344 CONECT 1340 1339 1341 1350 CONECT 1341 1340 1342 1349 CONECT 1342 1341 1343 1347 CONECT 1343 1342 1344 1346 CONECT 1344 1339 1343 1345 CONECT 1345 1344 CONECT 1346 1343 CONECT 1347 1342 1348 CONECT 1348 1347 CONECT 1349 1341 CONECT 1350 1340 CONECT 1351 1338 CONECT 1352 1338 CONECT 1353 1254 CONECT 1354 1253 CONECT 1355 1250 1356 1361 1362 CONECT 1356 1355 1357 1358 CONECT 1357 1356 CONECT 1358 1356 1359 1360 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1355 CONECT 1362 1355 CONECT 1363 1250 CONECT 1364 1249 CONECT 1365 1246 1366 1379 1380 CONECT 1366 1365 1367 1377 1378 CONECT 1367 1366 1368 1375 1376 CONECT 1368 1367 1369 1373 1374 CONECT 1369 1368 1370 1371 1372 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1369 CONECT 1373 1368 CONECT 1374 1368 CONECT 1375 1367 CONECT 1376 1367 CONECT 1377 1366 CONECT 1378 1366 CONECT 1379 1365 CONECT 1380 1365 CONECT 1381 1246 CONECT 1382 1245 CONECT 1383 1245 CONECT 1384 1245 MASTER 0 0 0 0 0 0 0 0 1383 1 144 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5hey
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5heb
RCSB PDB
PDBbind
119aa, >5HEB_1|Chain... *
5hed
RCSB PDB
PDBbind
119aa, >5HED_1|Chain... at 100%
5hf1
RCSB PDB
PDBbind
119aa, >5HF1_1|Chain... at 99%
5hfb
RCSB PDB
PDBbind
119aa, >5HFB_1|Chain... at 99%
5hfc
RCSB PDB
PDBbind
119aa, >5HFC_1|Chain... at 99%
5hff
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
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
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
5hey
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
third PDZ domain from the synaptic protein PSD-95 (G330T mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=2.2uM
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
2
H
7
3
N
1
2
O
1
4
Molecular Weight
970.101
Exact Mass
969.537
No. of atoms
141
No. of bonds
141
Polar Surface Area
470.79
LOGP Value
-6.51 (
Computed with XLOGP3
)
-3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 1
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)[C@H](O)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])CC(=O)N)Cc1ccc(cc1)O
InChI String
InChI=1S/C42H70N12O14/c1-21(2)33(42(67)68)53-40(65)30(20-55)52-41(66)34(22(3)56)54-37(62)27(14-15-31(46)58)49-36(61)26(9-5-7-17-44)48-38(63)28(18-23-10-12-24(57)13-11-23)51-39(64)29(19-32(47)59)50-35(60)25(45)8-4-6-16-43/h10-13,21-22,25-30,33-34,55-57H,4-9,14-20,43-45H2,1-3H3,(H2,46,58)(H2,47,59)(H,48,63)(H,49,61)(H,50,60)(H,51,64)(H,52,66)(H,53,65)(H,54,62)(H,67,68)/p+3/t22-,25+,26+,27+,28+,29+,30+,33+,34+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q792Q4
P31016
Entrez Gene ID
NCBI Entrez Gene ID:
56725
29495
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓