Browse entries in the PDBbind-CN Database
HEADER 5E0G_COMPLEX COMPND 5E0G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 HIS HIS ALA PRO PRO THR LEU TRP SER ARG VAL THR LYS SEQRES 2 A 131 PHE GLY SER GLY TRP GLY PHE TRP VAL SER PRO THR VAL SEQRES 3 A 131 PHE ILE THR THR THR HIS VAL VAL PRO THR GLY VAL LYS SEQRES 4 A 131 GLU PHE PHE GLY GLU PRO LEU SER SER ILE ALA ILE HIS SEQRES 5 A 131 GLN ALA GLY GLU PHE THR GLN PHE ARG PHE SER LYS LYS SEQRES 6 A 131 MET ARG PRO ASP LEU THR GLY MET VAL LEU GLU GLU GLY SEQRES 7 A 131 CYS PRO GLU GLY THR VAL CYS SER VAL LEU ILE LYS ARG SEQRES 8 A 131 ASP SER GLY GLU LEU LEU PRO LEU ALA VAL ARG MET GLY SEQRES 9 A 131 ALA ILE ALA SER MET ARG ILE GLN GLY ARG LEU VAL HIS SEQRES 10 A 131 GLY GLN SER GLY MET LEU LEU THR GLY ALA ASN ALA LYS SEQRES 11 A 131 GLY SEQRES 1 A 42 LEU GLY THR ILE PRO GLY ASP CYS GLY ALA PRO TYR VAL SEQRES 2 A 42 HIS LYS ARG GLY ASN ASP TRP VAL VAL CYS GLY VAL HIS SEQRES 3 A 42 ALA ALA ALA THR LYS SER GLY ASN THR VAL VAL CYS ALA SEQRES 4 A 42 VAL GLN ALA HET UNN A 339 62 ATOM 1 N HIS A -1 19.105 -28.707 131.358 1.00 41.94 N ATOM 2 CA HIS A -1 20.435 -28.638 130.686 1.00 40.24 C ATOM 3 C HIS A -1 20.537 -29.706 129.598 1.00 36.86 C ATOM 4 O HIS A -1 20.622 -30.900 129.910 1.00 37.88 O ATOM 5 CB HIS A -1 21.554 -28.838 131.716 1.00 41.29 C ATOM 6 HN3 HIS A -1 18.985 -29.645 131.791 1.00 0.00 H ATOM 7 HN2 HIS A -1 18.354 -28.549 130.656 1.00 0.00 H ATOM 8 HN1 HIS A -1 19.052 -27.975 132.095 1.00 0.00 H ATOM 9 N HIS A 0 20.528 -29.294 128.327 1.00 31.88 N ATOM 10 CA HIS A 0 20.555 -30.244 127.218 1.00 27.16 C ATOM 11 C HIS A 0 21.987 -30.570 126.838 1.00 24.29 C ATOM 12 O HIS A 0 22.770 -29.675 126.496 1.00 24.00 O ATOM 13 CB HIS A 0 19.821 -29.725 125.982 1.00 27.42 C ATOM 14 CG HIS A 0 18.350 -29.598 126.173 1.00 27.86 C ATOM 15 ND1 HIS A 0 17.544 -30.678 126.465 1.00 28.34 N ATOM 16 CD2 HIS A 0 17.541 -28.515 126.147 1.00 28.37 C ATOM 17 CE1 HIS A 0 16.298 -30.262 126.603 1.00 28.48 C ATOM 18 NE2 HIS A 0 16.270 -28.955 126.420 1.00 29.07 N ATOM 19 H HIS A 0 20.501 -28.275 128.123 1.00 0.00 H ATOM 20 N ALA A 1 22.315 -31.842 126.880 1.00 22.39 N ATOM 21 CA ALA A 1 23.618 -32.271 126.409 1.00 21.75 C ATOM 22 C ALA A 1 23.779 -31.847 124.953 1.00 20.95 C ATOM 23 O ALA A 1 22.899 -32.139 124.128 1.00 22.00 O ATOM 24 CB ALA A 1 23.723 -33.789 126.503 1.00 22.12 C ATOM 25 H ALA A 1 21.640 -32.541 127.251 1.00 0.00 H ATOM 26 N PRO A 2 24.867 -31.172 124.591 1.00 20.21 N ATOM 27 CA PRO A 2 25.013 -30.707 123.197 1.00 19.96 C ATOM 28 C PRO A 2 25.364 -31.839 122.250 1.00 18.30 C ATOM 29 O PRO A 2 25.809 -32.909 122.678 1.00 16.93 O ATOM 30 CB PRO A 2 26.171 -29.708 123.271 1.00 20.86 C ATOM 31 CG PRO A 2 26.933 -30.097 124.459 1.00 20.94 C ATOM 32 CD PRO A 2 25.947 -30.659 125.454 1.00 20.59 C ATOM 33 N PRO A 3 25.222 -31.621 120.941 1.00 18.58 N ATOM 34 CA PRO A 3 25.535 -32.697 119.989 1.00 18.60 C ATOM 35 C PRO A 3 26.921 -33.279 120.163 1.00 16.35 C ATOM 36 O PRO A 3 27.075 -34.490 120.022 1.00 15.83 O ATOM 37 CB PRO A 3 25.343 -32.026 118.615 1.00 20.35 C ATOM 38 CG PRO A 3 24.381 -30.928 118.879 1.00 21.01 C ATOM 39 CD PRO A 3 24.639 -30.441 120.272 1.00 20.93 C ATOM 40 N THR A 4 27.941 -32.466 120.450 1.00 16.72 N ATOM 41 CA THR A 4 29.275 -33.040 120.582 1.00 16.56 C ATOM 42 C THR A 4 29.332 -34.021 121.741 1.00 15.55 C ATOM 43 O THR A 4 30.052 -35.019 121.683 1.00 16.23 O ATOM 44 CB THR A 4 30.325 -31.944 120.739 1.00 19.41 C ATOM 45 OG1 THR A 4 29.960 -31.074 121.814 1.00 22.85 O ATOM 46 CG2 THR A 4 30.459 -31.144 119.453 1.00 20.31 C ATOM 47 HG1 THR A 4 29.082 -30.661 121.619 1.00 0.00 H ATOM 48 H THR A 4 27.787 -31.445 120.577 1.00 0.00 H ATOM 49 N LEU A 5 28.593 -33.752 122.815 1.00 14.07 N ATOM 50 CA LEU A 5 28.598 -34.650 123.962 1.00 12.86 C ATOM 51 C LEU A 5 27.949 -35.982 123.590 1.00 11.98 C ATOM 52 O LEU A 5 28.486 -37.052 123.866 1.00 11.72 O ATOM 53 CB LEU A 5 27.923 -33.948 125.148 1.00 14.46 C ATOM 54 CG LEU A 5 28.037 -34.661 126.487 1.00 16.85 C ATOM 55 CD1 LEU A 5 29.461 -34.640 126.961 1.00 19.52 C ATOM 56 CD2 LEU A 5 27.208 -34.010 127.538 1.00 17.27 C ATOM 57 H LEU A 5 28.007 -32.893 122.835 1.00 0.00 H ATOM 58 N TRP A 6 26.851 -35.933 122.851 1.00 12.39 N ATOM 59 CA TRP A 6 26.221 -37.154 122.375 1.00 11.67 C ATOM 60 C TRP A 6 27.110 -37.923 121.395 1.00 11.58 C ATOM 61 O TRP A 6 27.026 -39.151 121.311 1.00 12.05 O ATOM 62 CB TRP A 6 24.920 -36.802 121.691 1.00 12.58 C ATOM 63 CG TRP A 6 23.778 -36.537 122.611 1.00 12.82 C ATOM 64 CD1 TRP A 6 23.239 -35.319 122.932 1.00 14.81 C ATOM 65 CD2 TRP A 6 23.006 -37.516 123.331 1.00 12.53 C ATOM 66 NE1 TRP A 6 22.177 -35.490 123.778 1.00 15.92 N ATOM 67 CE2 TRP A 6 22.017 -36.821 124.044 1.00 14.22 C ATOM 68 CE3 TRP A 6 23.052 -38.911 123.423 1.00 13.26 C ATOM 69 CZ2 TRP A 6 21.054 -37.476 124.822 1.00 14.39 C ATOM 70 CZ3 TRP A 6 22.105 -39.552 124.194 1.00 13.25 C ATOM 71 CH2 TRP A 6 21.126 -38.839 124.881 1.00 14.33 C ATOM 72 HE1 TRP A 6 21.584 -34.726 124.159 1.00 0.00 H ATOM 73 H TRP A 6 26.435 -35.011 122.609 1.00 0.00 H ATOM 74 N SER A 7 27.937 -37.215 120.624 1.00 12.26 N ATOM 75 CA SER A 7 28.813 -37.879 119.663 1.00 12.53 C ATOM 76 C SER A 7 29.837 -38.770 120.334 1.00 11.15 C ATOM 77 O SER A 7 30.516 -39.546 119.651 1.00 12.21 O ATOM 78 CB SER A 7 29.566 -36.863 118.800 1.00 13.43 C ATOM 79 OG SER A 7 30.676 -36.267 119.464 1.00 14.43 O ATOM 80 HG SER A 7 30.359 -35.793 120.273 1.00 0.00 H ATOM 81 H SER A 7 27.958 -36.179 120.708 1.00 0.00 H ATOM 82 N ARG A 8 30.008 -38.628 121.640 1.00 10.43 N ATOM 83 CA ARG A 8 30.904 -39.479 122.397 1.00 9.57 C ATOM 84 C ARG A 8 30.304 -40.836 122.715 1.00 9.28 C ATOM 85 O ARG A 8 31.047 -41.754 123.058 1.00 9.30 O ATOM 86 CB ARG A 8 31.249 -38.780 123.699 1.00 10.01 C ATOM 87 CG ARG A 8 31.974 -37.459 123.502 1.00 11.43 C ATOM 88 CD ARG A 8 32.033 -36.679 124.795 1.00 11.67 C ATOM 89 NE ARG A 8 32.709 -35.399 124.663 1.00 12.82 N ATOM 90 CZ ARG A 8 33.978 -35.160 124.959 1.00 13.03 C ATOM 91 NH1 ARG A 8 34.784 -36.128 125.330 1.00 12.93 N ATOM 92 NH2 ARG A 8 34.458 -33.930 124.823 1.00 14.85 N ATOM 93 HE ARG A 8 32.147 -34.601 124.305 1.00 0.00 H ATOM 94 HH12 ARG A 8 35.777 -35.919 125.558 1.00 0.00 H ATOM 95 HH11 ARG A 8 34.429 -37.103 125.396 1.00 0.00 H ATOM 96 HH22 ARG A 8 35.453 -33.732 125.053 1.00 0.00 H ATOM 97 HH21 ARG A 8 33.839 -33.165 124.487 1.00 0.00 H ATOM 98 H ARG A 8 29.482 -37.882 122.138 1.00 0.00 H ATOM 99 N VAL A 9 28.980 -40.958 122.663 1.00 8.93 N ATOM 100 CA VAL A 9 28.282 -42.179 123.042 1.00 8.90 C ATOM 101 C VAL A 9 28.359 -43.129 121.860 1.00 9.64 C ATOM 102 O VAL A 9 27.933 -42.787 120.754 1.00 11.73 O ATOM 103 CB VAL A 9 26.830 -41.886 123.442 1.00 9.82 C ATOM 104 CG1 VAL A 9 26.104 -43.139 123.843 1.00 10.85 C ATOM 105 CG2 VAL A 9 26.770 -40.859 124.550 1.00 9.97 C ATOM 106 H VAL A 9 28.419 -40.145 122.337 1.00 0.00 H ATOM 107 N THR A 10 28.892 -44.309 122.098 1.00 9.01 N ATOM 108 CA THR A 10 29.319 -45.195 121.033 1.00 9.65 C ATOM 109 C THR A 10 28.842 -46.608 121.292 1.00 9.54 C ATOM 110 O THR A 10 29.043 -47.142 122.383 1.00 10.46 O ATOM 111 CB THR A 10 30.856 -45.184 120.997 1.00 11.91 C ATOM 112 OG1 THR A 10 31.315 -43.833 120.901 1.00 12.33 O ATOM 113 CG2 THR A 10 31.414 -46.020 119.859 1.00 13.18 C ATOM 114 HG1 THR A 10 30.960 -43.423 120.073 1.00 0.00 H ATOM 115 H THR A 10 29.011 -44.616 123.084 1.00 0.00 H ATOM 116 N LYS A 11 28.271 -47.243 120.291 1.00 9.44 N ATOM 117 CA LYS A 11 27.854 -48.622 120.436 1.00 11.29 C ATOM 118 C LYS A 11 29.071 -49.469 120.790 1.00 10.83 C ATOM 119 O LYS A 11 30.141 -49.317 120.200 1.00 12.57 O ATOM 120 CB LYS A 11 27.237 -49.113 119.130 1.00 14.30 C ATOM 121 CG LYS A 11 26.627 -50.508 119.237 1.00 17.72 C ATOM 122 CD LYS A 11 25.281 -50.449 119.996 1.00 22.52 C ATOM 123 CE LYS A 11 24.609 -51.797 120.175 1.00 26.42 C ATOM 124 NZ LYS A 11 25.035 -52.454 121.434 1.00 27.57 N ATOM 125 HZ1 LYS A 11 26.065 -52.599 121.417 1.00 0.00 H ATOM 126 HZ2 LYS A 11 24.782 -51.850 122.242 1.00 0.00 H ATOM 127 HZ3 LYS A 11 24.556 -53.373 121.523 1.00 0.00 H ATOM 128 H LYS A 11 28.118 -46.750 119.388 1.00 0.00 H ATOM 129 N PHE A 12 28.913 -50.388 121.743 1.00 11.66 N ATOM 130 CA PHE A 12 30.059 -51.168 122.203 1.00 12.38 C ATOM 131 C PHE A 12 29.568 -52.469 122.804 1.00 12.69 C ATOM 132 O PHE A 12 28.812 -52.457 123.775 1.00 13.08 O ATOM 133 CB PHE A 12 30.862 -50.369 123.224 1.00 12.31 C ATOM 134 CG PHE A 12 32.179 -51.000 123.547 1.00 11.96 C ATOM 135 CD1 PHE A 12 33.186 -51.015 122.596 1.00 14.69 C ATOM 136 CD2 PHE A 12 32.421 -51.606 124.760 1.00 12.97 C ATOM 137 CE1 PHE A 12 34.387 -51.573 122.844 1.00 16.97 C ATOM 138 CE2 PHE A 12 33.662 -52.198 125.011 1.00 14.81 C ATOM 139 CZ PHE A 12 34.624 -52.176 124.032 1.00 16.40 C ATOM 140 H PHE A 12 27.974 -50.549 122.159 1.00 0.00 H ATOM 141 N GLY A 13 30.009 -53.579 122.264 1.00 14.87 N ATOM 142 CA GLY A 13 29.606 -54.834 122.843 1.00 15.94 C ATOM 143 C GLY A 13 28.100 -54.946 122.876 1.00 17.03 C ATOM 144 O GLY A 13 27.398 -54.652 121.897 1.00 18.88 O ATOM 145 H GLY A 13 30.637 -53.554 121.435 1.00 0.00 H ATOM 146 N SER A 14 27.580 -55.377 124.019 1.00 17.85 N ATOM 147 CA SER A 14 26.144 -55.496 124.186 1.00 19.20 C ATOM 148 C SER A 14 25.518 -54.228 124.742 1.00 18.62 C ATOM 149 O SER A 14 24.389 -54.266 125.223 1.00 21.09 O ATOM 150 CB SER A 14 25.809 -56.695 125.071 1.00 21.61 C ATOM 151 OG SER A 14 26.415 -56.571 126.343 1.00 23.10 O ATOM 152 HG SER A 14 26.087 -55.748 126.785 1.00 0.00 H ATOM 153 H SER A 14 28.211 -55.633 124.805 1.00 0.00 H ATOM 154 N GLY A 15 26.216 -53.104 124.668 1.00 14.77 N ATOM 155 CA GLY A 15 25.666 -51.862 125.158 1.00 13.20 C ATOM 156 C GLY A 15 26.336 -50.706 124.484 1.00 11.24 C ATOM 157 O GLY A 15 26.414 -50.639 123.260 1.00 12.21 O ATOM 158 H GLY A 15 27.169 -53.117 124.253 1.00 0.00 H ATOM 159 N TRP A 16 26.837 -49.803 125.308 1.00 9.97 N ATOM 160 CA TRP A 16 27.400 -48.555 124.855 1.00 9.11 C ATOM 161 C TRP A 16 28.644 -48.276 125.672 1.00 8.70 C ATOM 162 O TRP A 16 28.857 -48.846 126.749 1.00 9.63 O ATOM 163 CB TRP A 16 26.413 -47.382 125.066 1.00 10.82 C ATOM 164 CG TRP A 16 25.149 -47.633 124.333 1.00 11.89 C ATOM 165 CD1 TRP A 16 24.104 -48.355 124.776 1.00 13.67 C ATOM 166 CD2 TRP A 16 24.847 -47.283 122.975 1.00 12.13 C ATOM 167 NE1 TRP A 16 23.153 -48.454 123.798 1.00 14.69 N ATOM 168 CE2 TRP A 16 23.587 -47.814 122.678 1.00 14.16 C ATOM 169 CE3 TRP A 16 25.528 -46.586 121.984 1.00 13.19 C ATOM 170 CZ2 TRP A 16 22.985 -47.655 121.446 1.00 14.49 C ATOM 171 CZ3 TRP A 16 24.920 -46.425 120.750 1.00 14.15 C ATOM 172 CH2 TRP A 16 23.673 -46.965 120.489 1.00 14.72 C ATOM 173 HE1 TRP A 16 22.240 -48.942 123.895 1.00 0.00 H ATOM 174 H TRP A 16 26.825 -50.001 126.329 1.00 0.00 H ATOM 175 N GLY A 17 29.427 -47.341 125.173 1.00 8.75 N ATOM 176 CA GLY A 17 30.434 -46.682 125.966 1.00 8.57 C ATOM 177 C GLY A 17 30.560 -45.236 125.576 1.00 8.18 C ATOM 178 O GLY A 17 29.758 -44.728 124.786 1.00 9.00 O ATOM 179 H GLY A 17 29.315 -47.070 124.175 1.00 0.00 H ATOM 180 N PHE A 18 31.546 -44.565 126.157 1.00 7.93 N ATOM 181 CA PHE A 18 31.627 -43.131 126.075 1.00 7.52 C ATOM 182 C PHE A 18 33.075 -42.675 125.981 1.00 7.68 C ATOM 183 O PHE A 18 33.903 -43.059 126.815 1.00 8.61 O ATOM 184 CB PHE A 18 30.990 -42.547 127.329 1.00 8.46 C ATOM 185 CG PHE A 18 30.954 -41.057 127.395 1.00 8.61 C ATOM 186 CD1 PHE A 18 30.011 -40.355 126.691 1.00 8.68 C ATOM 187 CD2 PHE A 18 31.800 -40.350 128.229 1.00 9.47 C ATOM 188 CE1 PHE A 18 29.899 -38.987 126.818 1.00 9.93 C ATOM 189 CE2 PHE A 18 31.722 -38.993 128.334 1.00 11.10 C ATOM 190 CZ PHE A 18 30.766 -38.307 127.633 1.00 11.04 C ATOM 191 H PHE A 18 32.276 -45.087 126.683 1.00 0.00 H ATOM 192 N TRP A 19 33.368 -41.838 124.992 1.00 8.36 N ATOM 193 CA TRP A 19 34.697 -41.233 124.861 1.00 8.98 C ATOM 194 C TRP A 19 34.807 -40.025 125.779 1.00 9.00 C ATOM 195 O TRP A 19 34.189 -38.985 125.537 1.00 9.90 O ATOM 196 CB TRP A 19 34.967 -40.796 123.424 1.00 9.54 C ATOM 197 CG TRP A 19 35.125 -41.942 122.492 1.00 8.63 C ATOM 198 CD1 TRP A 19 34.202 -42.446 121.639 1.00 8.81 C ATOM 199 CD2 TRP A 19 36.292 -42.752 122.316 1.00 8.87 C ATOM 200 NE1 TRP A 19 34.698 -43.530 120.952 1.00 9.90 N ATOM 201 CE2 TRP A 19 35.984 -43.733 121.359 1.00 9.73 C ATOM 202 CE3 TRP A 19 37.573 -42.748 122.883 1.00 9.91 C ATOM 203 CZ2 TRP A 19 36.900 -44.690 120.974 1.00 9.81 C ATOM 204 CZ3 TRP A 19 38.461 -43.707 122.497 1.00 10.89 C ATOM 205 CH2 TRP A 19 38.127 -44.664 121.562 1.00 11.17 C ATOM 206 HE1 TRP A 19 34.183 -44.095 120.247 1.00 0.00 H ATOM 207 H TRP A 19 32.635 -41.606 124.292 1.00 0.00 H ATOM 208 N VAL A 20 35.609 -40.164 126.832 1.00 9.44 N ATOM 209 CA VAL A 20 35.932 -39.070 127.738 1.00 9.95 C ATOM 210 C VAL A 20 36.892 -38.096 127.072 1.00 10.58 C ATOM 211 O VAL A 20 36.893 -36.899 127.385 1.00 12.76 O ATOM 212 CB VAL A 20 36.566 -39.649 129.022 1.00 11.29 C ATOM 213 CG1 VAL A 20 36.963 -38.545 129.977 1.00 12.95 C ATOM 214 CG2 VAL A 20 35.623 -40.630 129.684 1.00 10.41 C ATOM 215 H VAL A 20 36.025 -41.099 127.017 1.00 0.00 H ATOM 216 N SER A 21 37.753 -38.590 126.187 1.00 11.63 N ATOM 217 CA SER A 21 38.773 -37.786 125.544 1.00 12.00 C ATOM 218 C SER A 21 39.141 -38.517 124.263 1.00 11.82 C ATOM 219 O SER A 21 38.603 -39.589 123.983 1.00 12.02 O ATOM 220 CB SER A 21 39.990 -37.689 126.458 1.00 13.98 C ATOM 221 OG SER A 21 40.706 -38.910 126.429 1.00 15.42 O ATOM 222 HG SER A 21 41.495 -38.843 127.023 1.00 0.00 H ATOM 223 H SER A 21 37.692 -39.600 125.945 1.00 0.00 H ATOM 224 N PRO A 22 40.089 -38.007 123.479 1.00 12.64 N ATOM 225 CA PRO A 22 40.472 -38.734 122.262 1.00 13.19 C ATOM 226 C PRO A 22 41.024 -40.111 122.524 1.00 12.38 C ATOM 227 O PRO A 22 41.045 -40.930 121.596 1.00 13.05 O ATOM 228 CB PRO A 22 41.533 -37.822 121.630 1.00 14.94 C ATOM 229 CG PRO A 22 41.127 -36.471 122.069 1.00 14.86 C ATOM 230 CD PRO A 22 40.642 -36.640 123.488 1.00 14.34 C ATOM 231 N THR A 23 41.526 -40.378 123.728 1.00 13.07 N ATOM 232 CA THR A 23 42.183 -41.630 124.023 1.00 13.54 C ATOM 233 C THR A 23 41.484 -42.463 125.076 1.00 12.36 C ATOM 234 O THR A 23 41.852 -43.622 125.240 1.00 13.69 O ATOM 235 CB THR A 23 43.616 -41.381 124.516 1.00 15.76 C ATOM 236 OG1 THR A 23 43.541 -40.509 125.645 1.00 16.79 O ATOM 237 CG2 THR A 23 44.486 -40.778 123.396 1.00 17.62 C ATOM 238 HG1 THR A 23 44.454 -40.331 125.984 1.00 0.00 H ATOM 239 H THR A 23 41.442 -39.663 124.479 1.00 0.00 H ATOM 240 N VAL A 24 40.514 -41.914 125.816 1.00 11.88 N ATOM 241 CA VAL A 24 39.924 -42.604 126.964 1.00 11.22 C ATOM 242 C VAL A 24 38.465 -42.925 126.673 1.00 10.30 C ATOM 243 O VAL A 24 37.668 -42.028 126.380 1.00 10.12 O ATOM 244 CB VAL A 24 40.065 -41.776 128.241 1.00 12.43 C ATOM 245 CG1 VAL A 24 39.310 -42.440 129.382 1.00 13.43 C ATOM 246 CG2 VAL A 24 41.538 -41.637 128.595 1.00 13.59 C ATOM 247 H VAL A 24 40.168 -40.965 125.567 1.00 0.00 H ATOM 248 N PHE A 25 38.131 -44.204 126.795 1.00 9.31 N ATOM 249 CA PHE A 25 36.798 -44.736 126.541 1.00 9.04 C ATOM 250 C PHE A 25 36.358 -45.479 127.790 1.00 8.95 C ATOM 251 O PHE A 25 37.108 -46.285 128.323 1.00 11.04 O ATOM 252 CB PHE A 25 36.851 -45.700 125.359 1.00 9.39 C ATOM 253 CG PHE A 25 35.519 -46.188 124.883 1.00 9.53 C ATOM 254 CD1 PHE A 25 34.716 -45.377 124.138 1.00 9.72 C ATOM 255 CD2 PHE A 25 35.113 -47.484 125.128 1.00 11.91 C ATOM 256 CE1 PHE A 25 33.517 -45.818 123.629 1.00 11.02 C ATOM 257 CE2 PHE A 25 33.904 -47.932 124.627 1.00 12.39 C ATOM 258 CZ PHE A 25 33.117 -47.084 123.879 1.00 11.06 C ATOM 259 H PHE A 25 38.871 -44.872 127.092 1.00 0.00 H ATOM 260 N ILE A 26 35.141 -45.228 128.228 1.00 8.27 N ATOM 261 CA ILE A 26 34.612 -45.884 129.414 1.00 8.50 C ATOM 262 C ILE A 26 33.338 -46.630 129.083 1.00 7.99 C ATOM 263 O ILE A 26 32.571 -46.252 128.193 1.00 8.94 O ATOM 264 CB ILE A 26 34.385 -44.897 130.580 1.00 9.49 C ATOM 265 CG1 ILE A 26 33.323 -43.847 130.245 1.00 9.08 C ATOM 266 CG2 ILE A 26 35.723 -44.292 130.977 1.00 10.82 C ATOM 267 CD1 ILE A 26 32.973 -42.949 131.402 1.00 10.16 C ATOM 268 H ILE A 26 34.546 -44.547 127.715 1.00 0.00 H ATOM 269 N THR A 27 33.102 -47.690 129.831 1.00 8.81 N ATOM 270 CA THR A 27 31.921 -48.510 129.625 1.00 9.61 C ATOM 271 C THR A 27 31.677 -49.318 130.890 1.00 9.32 C ATOM 272 O THR A 27 32.424 -49.226 131.869 1.00 10.59 O ATOM 273 CB THR A 27 32.076 -49.391 128.390 1.00 11.51 C ATOM 274 OG1 THR A 27 30.862 -50.078 128.102 1.00 12.05 O ATOM 275 CG2 THR A 27 33.173 -50.395 128.549 1.00 13.80 C ATOM 276 HG1 THR A 27 30.143 -49.419 127.936 1.00 0.00 H ATOM 277 H THR A 27 33.774 -47.944 130.583 1.00 0.00 H ATOM 278 N THR A 28 30.615 -50.115 130.871 1.00 10.64 N ATOM 279 CA THR A 28 30.281 -51.011 131.971 1.00 10.11 C ATOM 280 C THR A 28 30.872 -52.382 131.669 1.00 12.62 C ATOM 281 O THR A 28 30.708 -52.895 130.564 1.00 13.16 O ATOM 282 CB THR A 28 28.763 -51.080 132.094 1.00 8.94 C ATOM 283 OG1 THR A 28 28.290 -49.747 132.281 1.00 7.16 O ATOM 284 CG2 THR A 28 28.365 -51.998 133.252 1.00 9.44 C ATOM 285 HG1 THR A 28 27.304 -49.757 132.365 1.00 0.00 H ATOM 286 H THR A 28 29.995 -50.099 130.036 1.00 0.00 H ATOM 287 N THR A 29 31.531 -52.974 132.654 1.00 13.90 N ATOM 288 CA THR A 29 32.345 -54.158 132.376 1.00 14.93 C ATOM 289 C THR A 29 31.535 -55.276 131.732 1.00 15.81 C ATOM 290 O THR A 29 32.003 -55.907 130.778 1.00 17.24 O ATOM 291 CB THR A 29 33.003 -54.630 133.665 1.00 16.32 C ATOM 292 OG1 THR A 29 33.713 -53.530 134.237 1.00 16.76 O ATOM 293 CG2 THR A 29 33.944 -55.812 133.402 1.00 18.40 C ATOM 294 HG1 THR A 29 34.402 -53.216 133.599 1.00 0.00 H ATOM 295 H THR A 29 31.470 -52.598 133.622 1.00 0.00 H ATOM 296 N HIS A 30 30.304 -55.518 132.200 1.00 15.84 N ATOM 297 CA HIS A 30 29.577 -56.669 131.669 1.00 17.37 C ATOM 298 C HIS A 30 29.169 -56.529 130.209 1.00 17.57 C ATOM 299 O HIS A 30 28.783 -57.532 129.602 1.00 18.54 O ATOM 300 CB HIS A 30 28.386 -57.082 132.540 1.00 18.37 C ATOM 301 CG HIS A 30 27.203 -56.161 132.496 1.00 18.53 C ATOM 302 ND1 HIS A 30 27.002 -55.166 133.426 1.00 18.86 N ATOM 303 CD2 HIS A 30 26.122 -56.137 131.682 1.00 19.27 C ATOM 304 CE1 HIS A 30 25.860 -54.550 133.172 1.00 19.43 C ATOM 305 NE2 HIS A 30 25.309 -55.115 132.115 1.00 19.68 N ATOM 306 H HIS A 30 29.877 -54.903 132.922 1.00 0.00 H ATOM 307 N VAL A 31 29.272 -55.346 129.612 1.00 15.25 N ATOM 308 CA VAL A 31 28.942 -55.226 128.191 1.00 16.56 C ATOM 309 C VAL A 31 30.159 -55.448 127.305 1.00 17.22 C ATOM 310 O VAL A 31 29.994 -55.628 126.090 1.00 17.68 O ATOM 311 CB VAL A 31 28.203 -53.926 127.798 1.00 17.28 C ATOM 312 CG1 VAL A 31 27.111 -53.580 128.785 1.00 18.24 C ATOM 313 CG2 VAL A 31 29.171 -52.770 127.656 1.00 17.04 C ATOM 314 H VAL A 31 29.584 -54.513 130.150 1.00 0.00 H ATOM 315 N VAL A 32 31.358 -55.487 127.879 1.00 17.30 N ATOM 316 CA VAL A 32 32.601 -55.588 127.098 1.00 18.01 C ATOM 317 C VAL A 32 32.703 -56.985 126.498 1.00 21.64 C ATOM 318 O VAL A 32 32.632 -57.978 127.244 1.00 22.21 O ATOM 319 CB VAL A 32 33.816 -55.323 127.998 1.00 17.36 C ATOM 320 CG1 VAL A 32 35.139 -55.474 127.216 1.00 17.90 C ATOM 321 CG2 VAL A 32 33.743 -53.979 128.608 1.00 17.32 C ATOM 322 H VAL A 32 31.419 -55.445 128.916 1.00 0.00 H ATOM 323 N PRO A 33 32.958 -57.128 125.202 1.00 24.17 N ATOM 324 CA PRO A 33 33.195 -58.468 124.650 1.00 25.99 C ATOM 325 C PRO A 33 34.476 -59.066 125.205 1.00 27.06 C ATOM 326 O PRO A 33 35.443 -58.358 125.481 1.00 27.28 O ATOM 327 CB PRO A 33 33.327 -58.215 123.146 1.00 27.53 C ATOM 328 CG PRO A 33 32.806 -56.842 122.910 1.00 27.75 C ATOM 329 CD PRO A 33 33.041 -56.084 124.173 1.00 25.67 C ATOM 330 N THR A 34 34.493 -60.389 125.343 1.00 29.38 N ATOM 331 CA THR A 34 35.687 -61.073 125.822 1.00 30.40 C ATOM 332 C THR A 34 36.235 -61.986 124.736 1.00 29.56 C ATOM 333 O THR A 34 35.562 -62.290 123.749 1.00 28.99 O ATOM 334 CB THR A 34 35.406 -61.870 127.095 1.00 33.55 C ATOM 335 OG1 THR A 34 34.506 -62.938 126.793 1.00 35.20 O ATOM 336 CG2 THR A 34 34.798 -60.965 128.158 1.00 34.80 C ATOM 337 HG1 THR A 34 33.659 -62.565 126.441 1.00 0.00 H ATOM 338 H THR A 34 33.644 -60.941 125.106 1.00 0.00 H ATOM 339 N GLY A 35 37.488 -62.397 124.915 1.00 29.51 N ATOM 340 CA GLY A 35 38.140 -63.221 123.922 1.00 29.52 C ATOM 341 C GLY A 35 38.413 -62.526 122.607 1.00 28.79 C ATOM 342 O GLY A 35 38.553 -63.197 121.588 1.00 30.36 O ATOM 343 H GLY A 35 38.002 -62.123 125.776 1.00 0.00 H ATOM 344 N VAL A 36 38.486 -61.196 122.594 1.00 25.80 N ATOM 345 CA VAL A 36 38.750 -60.443 121.375 1.00 23.83 C ATOM 346 C VAL A 36 40.198 -59.986 121.395 1.00 21.52 C ATOM 347 O VAL A 36 40.822 -59.885 122.450 1.00 23.35 O ATOM 348 CB VAL A 36 37.790 -59.243 121.190 1.00 25.08 C ATOM 349 CG1 VAL A 36 36.361 -59.730 121.094 1.00 26.47 C ATOM 350 CG2 VAL A 36 37.938 -58.235 122.324 1.00 24.94 C ATOM 351 H VAL A 36 38.350 -60.677 123.485 1.00 0.00 H ATOM 352 N LYS A 37 40.737 -59.697 120.208 1.00 19.39 N ATOM 353 CA LYS A 37 42.133 -59.302 120.055 1.00 17.94 C ATOM 354 C LYS A 37 42.294 -57.805 119.906 1.00 16.66 C ATOM 355 O LYS A 37 43.421 -57.310 119.820 1.00 15.95 O ATOM 356 CB LYS A 37 42.775 -59.995 118.848 1.00 17.63 C ATOM 357 CG LYS A 37 42.691 -61.496 118.906 1.00 17.66 C ATOM 358 CD LYS A 37 43.485 -62.145 117.768 1.00 18.10 C ATOM 359 CE LYS A 37 43.450 -63.662 117.857 1.00 19.92 C ATOM 360 NZ LYS A 37 44.061 -64.128 119.118 1.00 21.76 N ATOM 361 HZ1 LYS A 37 45.051 -63.812 119.160 1.00 0.00 H ATOM 362 HZ2 LYS A 37 43.535 -63.732 119.923 1.00 0.00 H ATOM 363 HZ3 LYS A 37 44.025 -65.167 119.156 1.00 0.00 H ATOM 364 H LYS A 37 40.138 -59.756 119.360 1.00 0.00 H ATOM 365 N GLU A 38 41.202 -57.065 119.866 1.00 16.51 N ATOM 366 CA GLU A 38 41.282 -55.651 119.593 1.00 16.24 C ATOM 367 C GLU A 38 39.980 -55.022 120.034 1.00 14.89 C ATOM 368 O GLU A 38 38.961 -55.697 120.174 1.00 17.24 O ATOM 369 CB GLU A 38 41.517 -55.397 118.100 1.00 18.73 C ATOM 370 CG GLU A 38 40.591 -56.154 117.168 1.00 22.24 C ATOM 371 CD GLU A 38 39.197 -55.589 117.112 1.00 24.95 C ATOM 372 OE1 GLU A 38 38.250 -56.390 116.929 1.00 27.61 O ATOM 373 OE2 GLU A 38 39.055 -54.354 117.241 1.00 25.00 O ATOM 374 H GLU A 38 40.275 -57.506 120.033 1.00 0.00 H ATOM 375 N PHE A 39 40.053 -53.728 120.257 1.00 13.63 N ATOM 376 CA PHE A 39 38.883 -52.884 120.422 1.00 14.49 C ATOM 377 C PHE A 39 39.064 -51.721 119.466 1.00 14.01 C ATOM 378 O PHE A 39 40.127 -51.097 119.422 1.00 14.27 O ATOM 379 CB PHE A 39 38.726 -52.375 121.859 1.00 16.98 C ATOM 380 CG PHE A 39 38.517 -53.478 122.878 1.00 18.81 C ATOM 381 CD1 PHE A 39 37.318 -54.167 122.939 1.00 21.04 C ATOM 382 CD2 PHE A 39 39.526 -53.831 123.758 1.00 22.01 C ATOM 383 CE1 PHE A 39 37.135 -55.184 123.861 1.00 21.78 C ATOM 384 CE2 PHE A 39 39.342 -54.843 124.685 1.00 23.26 C ATOM 385 CZ PHE A 39 38.146 -55.512 124.735 1.00 22.38 C ATOM 386 H PHE A 39 40.993 -53.288 120.318 1.00 0.00 H ATOM 387 N PHE A 40 38.027 -51.447 118.684 1.00 15.68 N ATOM 388 CA PHE A 40 38.056 -50.385 117.684 1.00 15.98 C ATOM 389 C PHE A 40 39.285 -50.502 116.787 1.00 16.24 C ATOM 390 O PHE A 40 39.862 -49.500 116.362 1.00 17.17 O ATOM 391 CB PHE A 40 37.976 -49.003 118.323 1.00 14.36 C ATOM 392 CG PHE A 40 36.735 -48.780 119.137 1.00 13.33 C ATOM 393 CD1 PHE A 40 35.490 -49.008 118.596 1.00 14.51 C ATOM 394 CD2 PHE A 40 36.797 -48.309 120.423 1.00 14.10 C ATOM 395 CE1 PHE A 40 34.351 -48.785 119.335 1.00 14.19 C ATOM 396 CE2 PHE A 40 35.645 -48.097 121.161 1.00 15.10 C ATOM 397 CZ PHE A 40 34.433 -48.333 120.616 1.00 13.72 C ATOM 398 H PHE A 40 37.160 -52.012 118.788 1.00 0.00 H ATOM 399 N GLY A 41 39.669 -51.742 116.473 1.00 16.84 N ATOM 400 CA GLY A 41 40.758 -52.013 115.570 1.00 17.73 C ATOM 401 C GLY A 41 42.124 -51.980 116.214 1.00 16.88 C ATOM 402 O GLY A 41 43.109 -52.316 115.549 1.00 18.71 O ATOM 403 H GLY A 41 39.161 -52.544 116.898 1.00 0.00 H ATOM 404 N GLU A 42 42.230 -51.570 117.462 1.00 14.61 N ATOM 405 CA GLU A 42 43.512 -51.435 118.122 1.00 13.90 C ATOM 406 C GLU A 42 43.821 -52.690 118.893 1.00 13.87 C ATOM 407 O GLU A 42 42.954 -53.202 119.607 1.00 15.05 O ATOM 408 CB GLU A 42 43.498 -50.266 119.076 1.00 14.10 C ATOM 409 CG GLU A 42 43.333 -48.957 118.384 1.00 16.79 C ATOM 410 CD GLU A 42 44.525 -48.669 117.529 1.00 19.94 C ATOM 411 OE1 GLU A 42 45.632 -48.515 118.096 1.00 21.15 O ATOM 412 OE2 GLU A 42 44.378 -48.656 116.292 1.00 22.26 O ATOM 413 H GLU A 42 41.365 -51.336 117.990 1.00 0.00 H ATOM 414 N PRO A 43 45.045 -53.189 118.780 1.00 13.28 N ATOM 415 CA PRO A 43 45.403 -54.411 119.485 1.00 14.33 C ATOM 416 C PRO A 43 45.393 -54.184 120.987 1.00 14.36 C ATOM 417 O PRO A 43 45.707 -53.102 121.480 1.00 14.13 O ATOM 418 CB PRO A 43 46.824 -54.689 118.990 1.00 14.67 C ATOM 419 CG PRO A 43 47.356 -53.374 118.692 1.00 14.88 C ATOM 420 CD PRO A 43 46.213 -52.599 118.107 1.00 13.53 C ATOM 421 N LEU A 44 45.117 -55.269 121.711 1.00 15.99 N ATOM 422 CA LEU A 44 45.119 -55.210 123.168 1.00 17.92 C ATOM 423 C LEU A 44 46.421 -54.644 123.702 1.00 17.52 C ATOM 424 O LEU A 44 46.418 -53.918 124.700 1.00 18.48 O ATOM 425 CB LEU A 44 44.928 -56.607 123.747 1.00 20.23 C ATOM 426 CG LEU A 44 43.619 -57.291 123.404 1.00 22.59 C ATOM 427 CD1 LEU A 44 43.600 -58.645 124.062 1.00 23.80 C ATOM 428 CD2 LEU A 44 42.412 -56.472 123.829 1.00 23.40 C ATOM 429 H LEU A 44 44.898 -56.166 121.232 1.00 0.00 H ATOM 430 N SER A 45 47.544 -54.952 123.046 1.00 17.10 N ATOM 431 CA SER A 45 48.832 -54.514 123.553 1.00 18.70 C ATOM 432 C SER A 45 48.998 -53.005 123.534 1.00 19.17 C ATOM 433 O SER A 45 49.900 -52.480 124.196 1.00 21.78 O ATOM 434 CB SER A 45 49.947 -55.153 122.733 1.00 19.34 C ATOM 435 OG SER A 45 49.752 -54.899 121.346 1.00 21.15 O ATOM 436 HG SER A 45 49.754 -53.922 121.187 1.00 0.00 H ATOM 437 H SER A 45 47.495 -55.508 122.168 1.00 0.00 H ATOM 438 N SER A 46 48.151 -52.297 122.803 1.00 16.56 N ATOM 439 CA SER A 46 48.220 -50.845 122.728 1.00 16.52 C ATOM 440 C SER A 46 47.163 -50.154 123.583 1.00 16.15 C ATOM 441 O SER A 46 46.997 -48.941 123.463 1.00 19.16 O ATOM 442 CB SER A 46 48.053 -50.382 121.291 1.00 17.82 C ATOM 443 OG SER A 46 46.732 -50.583 120.900 1.00 20.04 O ATOM 444 HG SER A 46 46.512 -51.546 120.969 1.00 0.00 H ATOM 445 H SER A 46 47.413 -52.794 122.265 1.00 0.00 H ATOM 446 N ILE A 47 46.467 -50.886 124.444 1.00 13.63 N ATOM 447 CA ILE A 47 45.386 -50.337 125.260 1.00 13.41 C ATOM 448 C ILE A 47 45.712 -50.609 126.716 1.00 14.15 C ATOM 449 O ILE A 47 46.001 -51.744 127.087 1.00 16.24 O ATOM 450 CB ILE A 47 44.034 -50.975 124.890 1.00 13.82 C ATOM 451 CG1 ILE A 47 43.769 -50.905 123.385 1.00 14.55 C ATOM 452 CG2 ILE A 47 42.899 -50.287 125.655 1.00 15.16 C ATOM 453 CD1 ILE A 47 42.579 -51.729 122.932 1.00 16.09 C ATOM 454 H ILE A 47 46.701 -51.895 124.542 1.00 0.00 H ATOM 455 N ALA A 48 45.638 -49.584 127.550 1.00 13.84 N ATOM 456 CA ALA A 48 45.745 -49.774 128.986 1.00 15.17 C ATOM 457 C ALA A 48 44.328 -49.929 129.525 1.00 14.34 C ATOM 458 O ALA A 48 43.484 -49.048 129.324 1.00 14.35 O ATOM 459 CB ALA A 48 46.429 -48.571 129.634 1.00 16.90 C ATOM 460 H ALA A 48 45.501 -48.626 127.170 1.00 0.00 H ATOM 461 N ILE A 49 44.049 -51.054 130.126 1.00 15.77 N ATOM 462 CA ILE A 49 42.723 -51.352 130.636 1.00 18.64 C ATOM 463 C ILE A 49 42.754 -51.189 132.142 1.00 20.50 C ATOM 464 O ILE A 49 43.692 -51.651 132.822 1.00 23.52 O ATOM 465 CB ILE A 49 42.303 -52.774 130.240 1.00 22.66 C ATOM 466 CG1 ILE A 49 42.269 -52.921 128.723 1.00 25.00 C ATOM 467 CG2 ILE A 49 40.937 -53.102 130.826 1.00 24.95 C ATOM 468 CD1 ILE A 49 42.271 -54.362 128.257 1.00 27.69 C ATOM 469 H ILE A 49 44.803 -51.761 130.243 1.00 0.00 H ATOM 470 N HIS A 50 41.725 -50.564 132.695 1.00 21.80 N ATOM 471 CA HIS A 50 41.597 -50.430 134.142 1.00 25.10 C ATOM 472 C HIS A 50 40.131 -50.659 134.433 1.00 26.08 C ATOM 473 O HIS A 50 39.278 -49.843 134.037 1.00 27.69 O ATOM 474 CB HIS A 50 42.023 -49.036 134.590 1.00 27.72 C ATOM 475 H HIS A 50 40.989 -50.158 132.082 1.00 0.00 H ATOM 476 N GLN A 51 39.807 -51.789 135.022 1.00 26.50 N ATOM 477 CA GLN A 51 38.426 -52.070 135.363 1.00 27.64 C ATOM 478 C GLN A 51 38.316 -52.599 136.774 1.00 25.00 C ATOM 479 O GLN A 51 39.177 -53.335 137.277 1.00 26.36 O ATOM 480 CB GLN A 51 37.789 -53.073 134.430 1.00 32.64 C ATOM 481 CG GLN A 51 38.506 -54.351 134.257 1.00 35.50 C ATOM 482 CD GLN A 51 38.349 -54.871 132.845 1.00 36.81 C ATOM 483 OE1 GLN A 51 37.448 -54.455 132.126 1.00 34.75 O ATOM 484 NE2 GLN A 51 39.229 -55.772 132.438 1.00 38.07 N ATOM 485 HE22 GLN A 51 39.978 -56.096 133.083 1.00 0.00 H ATOM 486 HE21 GLN A 51 39.172 -56.156 131.473 1.00 0.00 H ATOM 487 H GLN A 51 40.546 -52.486 135.245 1.00 0.00 H ATOM 488 N ALA A 52 37.234 -52.224 137.413 1.00 22.48 N ATOM 489 CA ALA A 52 36.922 -52.668 138.759 1.00 22.24 C ATOM 490 C ALA A 52 35.479 -52.296 139.021 1.00 19.66 C ATOM 491 O ALA A 52 35.032 -51.228 138.587 1.00 18.08 O ATOM 492 CB ALA A 52 37.794 -51.953 139.795 1.00 24.50 C ATOM 493 H ALA A 52 36.571 -51.581 136.935 1.00 0.00 H ATOM 494 N GLY A 53 34.749 -53.148 139.736 1.00 20.07 N ATOM 495 CA GLY A 53 33.441 -52.751 140.243 1.00 19.83 C ATOM 496 C GLY A 53 32.431 -52.413 139.169 1.00 18.21 C ATOM 497 O GLY A 53 31.549 -51.588 139.408 1.00 18.46 O ATOM 498 H GLY A 53 35.113 -54.102 139.934 1.00 0.00 H ATOM 499 N GLU A 54 32.525 -53.063 138.008 1.00 17.60 N ATOM 500 CA GLU A 54 31.686 -52.901 136.816 1.00 16.80 C ATOM 501 C GLU A 54 31.988 -51.643 136.016 1.00 14.92 C ATOM 502 O GLU A 54 31.272 -51.350 135.057 1.00 14.40 O ATOM 503 CB GLU A 54 30.185 -53.039 137.110 1.00 18.54 C ATOM 504 CG GLU A 54 29.749 -54.505 137.184 1.00 20.96 C ATOM 505 CD GLU A 54 29.977 -55.260 135.871 1.00 22.74 C ATOM 506 OE1 GLU A 54 30.753 -56.239 135.880 1.00 25.39 O ATOM 507 OE2 GLU A 54 29.412 -54.867 134.825 1.00 21.02 O ATOM 508 H GLU A 54 33.285 -53.770 137.940 1.00 0.00 H ATOM 509 N PHE A 55 33.009 -50.891 136.385 1.00 13.95 N ATOM 510 CA PHE A 55 33.495 -49.777 135.589 1.00 13.84 C ATOM 511 C PHE A 55 34.723 -50.209 134.798 1.00 14.60 C ATOM 512 O PHE A 55 35.702 -50.692 135.384 1.00 16.20 O ATOM 513 CB PHE A 55 33.871 -48.603 136.486 1.00 14.84 C ATOM 514 CG PHE A 55 34.079 -47.324 135.735 1.00 13.67 C ATOM 515 CD1 PHE A 55 35.267 -47.061 135.065 1.00 15.49 C ATOM 516 CD2 PHE A 55 33.072 -46.378 135.704 1.00 13.68 C ATOM 517 CE1 PHE A 55 35.422 -45.887 134.372 1.00 15.49 C ATOM 518 CE2 PHE A 55 33.247 -45.202 135.036 1.00 13.95 C ATOM 519 CZ PHE A 55 34.415 -44.951 134.378 1.00 14.11 C ATOM 520 H PHE A 55 33.486 -51.105 137.284 1.00 0.00 H ATOM 521 N THR A 56 34.698 -50.022 133.488 1.00 13.23 N ATOM 522 CA THR A 56 35.855 -50.292 132.639 1.00 12.75 C ATOM 523 C THR A 56 36.312 -49.023 131.950 1.00 12.72 C ATOM 524 O THR A 56 35.507 -48.330 131.307 1.00 13.09 O ATOM 525 CB THR A 56 35.500 -51.334 131.590 1.00 14.75 C ATOM 526 OG1 THR A 56 35.305 -52.599 132.209 1.00 15.86 O ATOM 527 CG2 THR A 56 36.592 -51.471 130.521 1.00 16.28 C ATOM 528 HG1 THR A 56 34.568 -52.533 132.867 1.00 0.00 H ATOM 529 H THR A 56 33.824 -49.670 133.048 1.00 0.00 H ATOM 530 N GLN A 57 37.614 -48.777 132.010 1.00 13.37 N ATOM 531 CA GLN A 57 38.266 -47.713 131.277 1.00 13.15 C ATOM 532 C GLN A 57 39.307 -48.311 130.341 1.00 12.91 C ATOM 533 O GLN A 57 40.096 -49.181 130.756 1.00 14.40 O ATOM 534 CB GLN A 57 38.922 -46.699 132.200 1.00 15.04 C ATOM 535 CG GLN A 57 39.669 -45.629 131.448 1.00 17.13 C ATOM 536 CD GLN A 57 40.359 -44.666 132.347 1.00 19.98 C ATOM 537 OE1 GLN A 57 39.752 -43.775 132.888 1.00 20.96 O ATOM 538 NE2 GLN A 57 41.644 -44.867 132.543 1.00 22.47 N ATOM 539 HE22 GLN A 57 42.128 -45.648 132.056 1.00 0.00 H ATOM 540 HE21 GLN A 57 42.176 -44.245 133.185 1.00 0.00 H ATOM 541 H GLN A 57 38.200 -49.383 132.619 1.00 0.00 H ATOM 542 N PHE A 58 39.314 -47.846 129.107 1.00 11.89 N ATOM 543 CA PHE A 58 40.352 -48.140 128.134 1.00 11.88 C ATOM 544 C PHE A 58 41.078 -46.846 127.831 1.00 12.20 C ATOM 545 O PHE A 58 40.445 -45.826 127.530 1.00 13.55 O ATOM 546 CB PHE A 58 39.755 -48.578 126.799 1.00 12.89 C ATOM 547 CG PHE A 58 39.036 -49.867 126.827 1.00 13.87 C ATOM 548 CD1 PHE A 58 39.318 -50.843 127.758 1.00 13.83 C ATOM 549 CD2 PHE A 58 38.075 -50.110 125.871 1.00 15.95 C ATOM 550 CE1 PHE A 58 38.628 -52.045 127.741 1.00 14.26 C ATOM 551 CE2 PHE A 58 37.390 -51.295 125.850 1.00 16.64 C ATOM 552 CZ PHE A 58 37.667 -52.269 126.787 1.00 15.34 C ATOM 553 H PHE A 58 38.529 -47.231 128.812 1.00 0.00 H ATOM 554 N ARG A 59 42.394 -46.883 127.865 1.00 12.63 N ATOM 555 CA ARG A 59 43.182 -45.746 127.427 1.00 13.28 C ATOM 556 C ARG A 59 44.013 -46.223 126.246 1.00 13.03 C ATOM 557 O ARG A 59 44.892 -47.082 126.392 1.00 13.40 O ATOM 558 CB ARG A 59 44.086 -45.222 128.531 1.00 15.87 C ATOM 559 CG ARG A 59 44.872 -44.000 128.101 1.00 19.22 C ATOM 560 CD ARG A 59 45.839 -43.491 129.198 1.00 23.14 C ATOM 561 NE ARG A 59 45.099 -42.988 130.353 1.00 26.93 N ATOM 562 CZ ARG A 59 44.609 -41.753 130.469 1.00 28.74 C ATOM 563 NH1 ARG A 59 44.814 -40.848 129.523 1.00 28.92 N ATOM 564 NH2 ARG A 59 43.932 -41.416 131.557 1.00 30.24 N ATOM 565 HE ARG A 59 44.942 -43.643 131.145 1.00 0.00 H ATOM 566 HH12 ARG A 59 44.425 -39.889 129.628 1.00 0.00 H ATOM 567 HH11 ARG A 59 45.363 -41.097 128.676 1.00 0.00 H ATOM 568 HH22 ARG A 59 43.547 -40.454 131.653 1.00 0.00 H ATOM 569 HH21 ARG A 59 43.785 -42.113 132.315 1.00 0.00 H ATOM 570 H ARG A 59 42.875 -47.738 128.210 1.00 0.00 H ATOM 571 N PHE A 60 43.682 -45.726 125.068 1.00 12.53 N ATOM 572 CA PHE A 60 44.347 -46.121 123.849 1.00 12.63 C ATOM 573 C PHE A 60 45.653 -45.369 123.722 1.00 15.72 C ATOM 574 O PHE A 60 45.776 -44.219 124.132 1.00 17.21 O ATOM 575 CB PHE A 60 43.432 -45.830 122.657 1.00 12.47 C ATOM 576 CG PHE A 60 42.204 -46.704 122.629 1.00 11.26 C ATOM 577 CD1 PHE A 60 41.060 -46.399 123.355 1.00 11.79 C ATOM 578 CD2 PHE A 60 42.202 -47.848 121.868 1.00 12.50 C ATOM 579 CE1 PHE A 60 39.982 -47.238 123.332 1.00 11.77 C ATOM 580 CE2 PHE A 60 41.102 -48.681 121.833 1.00 12.98 C ATOM 581 CZ PHE A 60 39.992 -48.371 122.570 1.00 11.98 C ATOM 582 H PHE A 60 42.915 -45.025 125.017 1.00 0.00 H ATOM 583 N SER A 61 46.631 -46.034 123.124 1.00 17.84 N ATOM 584 CA SER A 61 47.942 -45.424 122.908 1.00 19.89 C ATOM 585 C SER A 61 47.880 -44.365 121.829 1.00 22.01 C ATOM 586 O SER A 61 48.685 -43.436 121.825 1.00 25.99 O ATOM 587 CB SER A 61 48.959 -46.490 122.501 1.00 20.82 C ATOM 588 OG SER A 61 49.183 -47.375 123.567 1.00 22.12 O ATOM 589 HG SER A 61 48.331 -47.815 123.814 1.00 0.00 H ATOM 590 H SER A 61 46.463 -47.009 122.802 1.00 0.00 H ATOM 591 N LYS A 62 46.960 -44.506 120.884 1.00 23.97 N ATOM 592 CA LYS A 62 46.803 -43.490 119.858 1.00 25.93 C ATOM 593 C LYS A 62 45.495 -42.746 120.042 1.00 22.91 C ATOM 594 O LYS A 62 44.540 -43.252 120.638 1.00 21.88 O ATOM 595 CB LYS A 62 46.891 -44.050 118.433 1.00 29.80 C ATOM 596 CG LYS A 62 45.710 -44.870 118.005 1.00 31.37 C ATOM 597 CD LYS A 62 45.730 -45.132 116.504 1.00 32.34 C ATOM 598 CE LYS A 62 46.839 -46.077 116.090 1.00 33.37 C ATOM 599 NZ LYS A 62 46.417 -46.934 114.939 1.00 34.12 N ATOM 600 HZ1 LYS A 62 45.586 -47.496 115.213 1.00 0.00 H ATOM 601 HZ2 LYS A 62 46.176 -46.329 114.128 1.00 0.00 H ATOM 602 HZ3 LYS A 62 47.197 -47.571 114.678 1.00 0.00 H ATOM 603 H LYS A 62 46.349 -45.347 120.878 1.00 0.00 H ATOM 604 N LYS A 63 45.494 -41.511 119.572 1.00 22.19 N ATOM 605 CA LYS A 63 44.289 -40.701 119.562 1.00 22.42 C ATOM 606 C LYS A 63 43.270 -41.327 118.631 1.00 19.05 C ATOM 607 O LYS A 63 43.461 -41.378 117.423 1.00 20.45 O ATOM 608 CB LYS A 63 44.594 -39.280 119.103 1.00 27.21 C ATOM 609 CG LYS A 63 45.655 -38.601 119.949 1.00 31.35 C ATOM 610 CD LYS A 63 45.168 -37.258 120.446 1.00 34.44 C ATOM 611 CE LYS A 63 45.288 -36.196 119.380 1.00 36.28 C ATOM 612 NZ LYS A 63 44.398 -35.050 119.668 1.00 37.51 N ATOM 613 HZ1 LYS A 63 43.412 -35.378 119.702 1.00 0.00 H ATOM 614 HZ2 LYS A 63 44.657 -34.633 120.585 1.00 0.00 H ATOM 615 HZ3 LYS A 63 44.501 -34.336 118.919 1.00 0.00 H ATOM 616 H LYS A 63 46.378 -41.109 119.200 1.00 0.00 H ATOM 617 N MET A 64 42.195 -41.827 119.196 1.00 14.32 N ATOM 618 CA MET A 64 41.146 -42.477 118.430 1.00 12.22 C ATOM 619 C MET A 64 40.035 -41.518 118.020 1.00 12.00 C ATOM 620 O MET A 64 39.416 -41.702 116.971 1.00 12.42 O ATOM 621 CB MET A 64 40.534 -43.580 119.290 1.00 12.49 C ATOM 622 CG MET A 64 41.556 -44.621 119.695 1.00 15.29 C ATOM 623 SD MET A 64 42.147 -45.548 118.295 1.00 18.87 S ATOM 624 CE MET A 64 40.708 -46.550 117.992 1.00 21.59 C ATOM 625 H MET A 64 42.091 -41.755 120.228 1.00 0.00 H ATOM 626 N ARG A 65 39.766 -40.502 118.827 1.00 11.04 N ATOM 627 CA ARG A 65 38.693 -39.541 118.586 1.00 10.68 C ATOM 628 C ARG A 65 39.263 -38.136 118.767 1.00 11.54 C ATOM 629 O ARG A 65 38.886 -37.392 119.683 1.00 11.92 O ATOM 630 CB ARG A 65 37.509 -39.807 119.515 1.00 10.53 C ATOM 631 CG ARG A 65 36.709 -41.049 119.095 1.00 11.08 C ATOM 632 CD ARG A 65 35.970 -40.899 117.758 1.00 12.48 C ATOM 633 NE ARG A 65 35.076 -39.747 117.823 1.00 12.81 N ATOM 634 CZ ARG A 65 33.839 -39.747 118.332 1.00 12.85 C ATOM 635 NH1 ARG A 65 33.223 -40.860 118.693 1.00 12.85 N ATOM 636 NH2 ARG A 65 33.179 -38.597 118.406 1.00 14.18 N ATOM 637 HE ARG A 65 35.432 -38.848 117.440 1.00 0.00 H ATOM 638 HH12 ARG A 65 32.261 -40.818 119.085 1.00 0.00 H ATOM 639 HH11 ARG A 65 33.701 -41.777 118.585 1.00 0.00 H ATOM 640 HH22 ARG A 65 32.216 -38.574 118.798 1.00 0.00 H ATOM 641 HH21 ARG A 65 33.625 -37.719 118.072 1.00 0.00 H ATOM 642 H ARG A 65 40.351 -40.382 119.679 1.00 0.00 H ATOM 643 N PRO A 66 40.188 -37.736 117.888 1.00 12.61 N ATOM 644 CA PRO A 66 40.810 -36.402 118.021 1.00 14.69 C ATOM 645 C PRO A 66 39.839 -35.255 117.816 1.00 15.60 C ATOM 646 O PRO A 66 40.190 -34.109 118.101 1.00 17.09 O ATOM 647 CB PRO A 66 41.902 -36.419 116.957 1.00 15.97 C ATOM 648 CG PRO A 66 41.424 -37.424 115.968 1.00 14.88 C ATOM 649 CD PRO A 66 40.761 -38.502 116.770 1.00 13.55 C ATOM 650 N ASP A 67 38.632 -35.523 117.334 1.00 14.85 N ATOM 651 CA ASP A 67 37.605 -34.496 117.298 1.00 15.32 C ATOM 652 C ASP A 67 37.170 -34.036 118.685 1.00 15.35 C ATOM 653 O ASP A 67 36.562 -32.973 118.806 1.00 16.79 O ATOM 654 CB ASP A 67 36.402 -35.012 116.519 1.00 14.56 C ATOM 655 CG ASP A 67 35.796 -36.260 117.128 1.00 15.29 C ATOM 656 OD1 ASP A 67 36.535 -37.232 117.371 1.00 15.75 O ATOM 657 OD2 ASP A 67 34.577 -36.260 117.381 1.00 17.26 O ATOM 658 H ASP A 67 38.419 -36.477 116.979 1.00 0.00 H ATOM 659 N LEU A 68 37.440 -34.810 119.728 1.00 14.51 N ATOM 660 CA LEU A 68 36.895 -34.509 121.045 1.00 14.47 C ATOM 661 C LEU A 68 37.900 -33.786 121.924 1.00 16.05 C ATOM 662 O LEU A 68 39.083 -34.103 121.911 1.00 17.85 O ATOM 663 CB LEU A 68 36.539 -35.810 121.749 1.00 13.68 C ATOM 664 CG LEU A 68 35.480 -36.633 121.044 1.00 12.83 C ATOM 665 CD1 LEU A 68 35.302 -37.967 121.735 1.00 13.16 C ATOM 666 CD2 LEU A 68 34.144 -35.887 121.006 1.00 13.57 C ATOM 667 H LEU A 68 38.049 -35.644 119.604 1.00 0.00 H ATOM 668 N THR A 69 37.402 -32.865 122.738 1.00 16.51 N ATOM 669 CA THR A 69 38.175 -32.371 123.866 1.00 18.97 C ATOM 670 C THR A 69 38.156 -33.399 125.000 1.00 17.47 C ATOM 671 O THR A 69 37.260 -34.239 125.099 1.00 17.97 O ATOM 672 CB THR A 69 37.554 -31.076 124.377 1.00 21.27 C ATOM 673 OG1 THR A 69 36.211 -31.350 124.805 1.00 23.27 O ATOM 674 CG2 THR A 69 37.554 -29.995 123.291 1.00 22.75 C ATOM 675 HG1 THR A 69 35.687 -31.697 124.040 1.00 0.00 H ATOM 676 H THR A 69 36.447 -32.491 122.567 1.00 0.00 H ATOM 677 N GLY A 70 39.144 -33.319 125.888 1.00 18.70 N ATOM 678 CA GLY A 70 39.104 -34.120 127.094 1.00 19.04 C ATOM 679 C GLY A 70 38.159 -33.476 128.079 1.00 20.06 C ATOM 680 O GLY A 70 38.178 -32.260 128.268 1.00 23.77 O ATOM 681 H GLY A 70 39.946 -32.680 125.716 1.00 0.00 H ATOM 682 N MET A 71 37.315 -34.272 128.696 1.00 18.09 N ATOM 683 CA MET A 71 36.431 -33.739 129.716 1.00 18.29 C ATOM 684 C MET A 71 36.726 -34.441 131.030 1.00 17.60 C ATOM 685 O MET A 71 37.494 -35.401 131.096 1.00 18.19 O ATOM 686 CB MET A 71 34.975 -33.859 129.286 1.00 19.87 C ATOM 687 CG MET A 71 34.519 -35.247 129.119 1.00 18.20 C ATOM 688 SD MET A 71 32.828 -35.420 128.434 1.00 17.48 S ATOM 689 CE MET A 71 31.887 -35.044 129.871 1.00 16.51 C ATOM 690 H MET A 71 37.281 -35.283 128.454 1.00 0.00 H ATOM 691 N VAL A 72 36.157 -33.914 132.097 1.00 16.34 N ATOM 692 CA VAL A 72 36.421 -34.444 133.425 1.00 16.88 C ATOM 693 C VAL A 72 35.560 -35.669 133.665 1.00 14.73 C ATOM 694 O VAL A 72 34.331 -35.637 133.484 1.00 14.66 O ATOM 695 CB VAL A 72 36.169 -33.374 134.493 1.00 19.87 C ATOM 696 CG1 VAL A 72 36.236 -33.976 135.886 1.00 22.14 C ATOM 697 CG2 VAL A 72 37.179 -32.222 134.348 1.00 21.07 C ATOM 698 H VAL A 72 35.510 -33.107 131.987 1.00 0.00 H ATOM 699 N LEU A 73 36.205 -36.727 134.130 1.00 14.89 N ATOM 700 CA LEU A 73 35.595 -37.931 134.661 1.00 14.51 C ATOM 701 C LEU A 73 35.799 -37.931 136.172 1.00 14.91 C ATOM 702 O LEU A 73 36.942 -37.871 136.654 1.00 17.11 O ATOM 703 CB LEU A 73 36.271 -39.164 134.062 1.00 15.59 C ATOM 704 CG LEU A 73 35.953 -40.515 134.690 1.00 15.62 C ATOM 705 CD1 LEU A 73 34.482 -40.887 134.557 1.00 13.88 C ATOM 706 CD2 LEU A 73 36.811 -41.582 134.050 1.00 17.12 C ATOM 707 H LEU A 73 37.244 -36.692 134.113 1.00 0.00 H ATOM 708 N GLU A 74 34.709 -37.998 136.919 1.00 15.75 N ATOM 709 CA GLU A 74 34.750 -38.058 138.374 1.00 17.55 C ATOM 710 C GLU A 74 34.143 -39.359 138.874 1.00 16.56 C ATOM 711 O GLU A 74 33.375 -40.000 138.164 1.00 15.65 O ATOM 712 CB GLU A 74 34.030 -36.849 138.975 1.00 20.86 C ATOM 713 CG GLU A 74 34.861 -35.599 138.787 1.00 24.19 C ATOM 714 CD GLU A 74 34.239 -34.371 139.373 1.00 26.72 C ATOM 715 OE1 GLU A 74 33.103 -34.461 139.886 1.00 28.00 O ATOM 716 OE2 GLU A 74 34.899 -33.310 139.319 1.00 28.07 O ATOM 717 H GLU A 74 33.782 -38.008 136.447 1.00 0.00 H ATOM 718 N GLU A 75 34.503 -39.749 140.105 1.00 16.71 N ATOM 719 CA GLU A 75 33.955 -40.943 140.753 1.00 17.75 C ATOM 720 C GLU A 75 32.609 -40.572 141.351 1.00 16.83 C ATOM 721 O GLU A 75 32.498 -40.165 142.509 1.00 19.08 O ATOM 722 CB GLU A 75 34.879 -41.465 141.848 1.00 20.22 C ATOM 723 CG GLU A 75 34.315 -42.730 142.518 1.00 24.58 C ATOM 724 CD GLU A 75 35.120 -43.211 143.699 1.00 28.38 C ATOM 725 OE1 GLU A 75 34.607 -44.084 144.433 1.00 30.22 O ATOM 726 OE2 GLU A 75 36.246 -42.722 143.889 1.00 29.94 O ATOM 727 H GLU A 75 35.202 -39.179 140.623 1.00 0.00 H ATOM 728 N GLY A 76 31.568 -40.716 140.562 1.00 14.56 N ATOM 729 CA GLY A 76 30.261 -40.305 141.005 1.00 14.00 C ATOM 730 C GLY A 76 30.157 -38.799 141.142 1.00 14.14 C ATOM 731 O GLY A 76 30.989 -38.034 140.674 1.00 14.88 O ATOM 732 H GLY A 76 31.689 -41.128 139.615 1.00 0.00 H ATOM 733 N CYS A 77 29.072 -38.386 141.768 1.00 13.94 N ATOM 734 CA CYS A 77 28.783 -36.973 141.917 1.00 14.21 C ATOM 735 C CYS A 77 28.193 -36.717 143.292 1.00 14.67 C ATOM 736 O CYS A 77 27.807 -37.664 143.984 1.00 15.49 O ATOM 737 CB CYS A 77 27.809 -36.516 140.828 1.00 15.07 C ATOM 738 SG CYS A 77 26.261 -37.420 140.804 1.00 15.06 S ATOM 739 H CYS A 77 28.412 -39.087 142.162 1.00 0.00 H ATOM 740 N PRO A 78 28.099 -35.468 143.720 1.00 16.07 N ATOM 741 CA PRO A 78 27.506 -35.197 145.032 1.00 17.48 C ATOM 742 C PRO A 78 26.073 -35.705 145.094 1.00 16.00 C ATOM 743 O PRO A 78 25.328 -35.649 144.109 1.00 15.29 O ATOM 744 CB PRO A 78 27.561 -33.671 145.130 1.00 18.00 C ATOM 745 CG PRO A 78 28.720 -33.277 144.264 1.00 17.83 C ATOM 746 CD PRO A 78 28.675 -34.259 143.109 1.00 17.01 C ATOM 747 N GLU A 79 25.675 -36.197 146.267 1.00 15.69 N ATOM 748 CA GLU A 79 24.302 -36.630 146.442 1.00 15.76 C ATOM 749 C GLU A 79 23.390 -35.466 146.122 1.00 15.61 C ATOM 750 O GLU A 79 23.695 -34.317 146.446 1.00 16.65 O ATOM 751 CB GLU A 79 24.073 -37.096 147.878 1.00 17.52 C ATOM 752 CG GLU A 79 24.813 -38.361 148.158 1.00 19.04 C ATOM 753 CD GLU A 79 24.425 -39.031 149.455 1.00 19.76 C ATOM 754 OE1 GLU A 79 23.375 -38.689 150.085 1.00 19.45 O ATOM 755 OE2 GLU A 79 25.223 -39.927 149.850 1.00 22.61 O ATOM 756 H GLU A 79 26.348 -36.270 147.056 1.00 0.00 H ATOM 757 N GLY A 80 22.300 -35.769 145.435 1.00 14.26 N ATOM 758 CA GLY A 80 21.330 -34.784 145.033 1.00 15.06 C ATOM 759 C GLY A 80 21.563 -34.202 143.662 1.00 13.78 C ATOM 760 O GLY A 80 20.695 -33.488 143.154 1.00 16.25 O ATOM 761 H GLY A 80 22.137 -36.762 145.174 1.00 0.00 H ATOM 762 N THR A 81 22.714 -34.473 143.046 1.00 13.46 N ATOM 763 CA THR A 81 22.964 -34.014 141.686 1.00 13.29 C ATOM 764 C THR A 81 21.944 -34.650 140.755 1.00 12.94 C ATOM 765 O THR A 81 21.674 -35.845 140.840 1.00 13.73 O ATOM 766 CB THR A 81 24.366 -34.442 141.238 1.00 14.71 C ATOM 767 OG1 THR A 81 25.358 -33.932 142.136 1.00 16.63 O ATOM 768 CG2 THR A 81 24.676 -33.950 139.830 1.00 15.78 C ATOM 769 HG1 THR A 81 26.256 -34.218 141.831 1.00 0.00 H ATOM 770 H THR A 81 23.445 -35.020 143.544 1.00 0.00 H ATOM 771 N VAL A 82 21.429 -33.865 139.824 1.00 13.12 N ATOM 772 CA VAL A 82 20.598 -34.398 138.761 1.00 12.91 C ATOM 773 C VAL A 82 21.511 -34.673 137.575 1.00 12.68 C ATOM 774 O VAL A 82 22.173 -33.763 137.065 1.00 15.71 O ATOM 775 CB VAL A 82 19.466 -33.428 138.396 1.00 16.57 C ATOM 776 CG1 VAL A 82 18.686 -33.979 137.205 1.00 18.71 C ATOM 777 CG2 VAL A 82 18.537 -33.239 139.586 1.00 17.68 C ATOM 778 H VAL A 82 21.624 -32.844 139.854 1.00 0.00 H ATOM 779 N CYS A 83 21.567 -35.917 137.152 1.00 11.15 N ATOM 780 CA CYS A 83 22.340 -36.319 135.998 1.00 11.09 C ATOM 781 C CYS A 83 21.408 -36.623 134.848 1.00 10.29 C ATOM 782 O CYS A 83 20.213 -36.886 135.013 1.00 12.46 O ATOM 783 CB CYS A 83 23.189 -37.573 136.299 1.00 12.69 C ATOM 784 SG CYS A 83 24.569 -37.289 137.366 1.00 14.97 S ATOM 785 H CYS A 83 21.032 -36.643 137.670 1.00 0.00 H ATOM 786 N SER A 84 21.997 -36.617 133.676 1.00 9.88 N ATOM 787 CA SER A 84 21.359 -37.140 132.489 1.00 10.13 C ATOM 788 C SER A 84 22.094 -38.404 132.086 1.00 9.58 C ATOM 789 O SER A 84 23.332 -38.403 132.010 1.00 10.76 O ATOM 790 CB SER A 84 21.443 -36.109 131.372 1.00 12.56 C ATOM 791 OG SER A 84 20.649 -36.497 130.277 1.00 14.80 O ATOM 792 HG SER A 84 19.706 -36.579 130.567 1.00 0.00 H ATOM 793 H SER A 84 22.956 -36.222 133.598 1.00 0.00 H ATOM 794 N VAL A 85 21.355 -39.474 131.851 1.00 8.63 N ATOM 795 CA VAL A 85 21.920 -40.706 131.326 1.00 8.77 C ATOM 796 C VAL A 85 21.729 -40.647 129.825 1.00 8.76 C ATOM 797 O VAL A 85 20.598 -40.555 129.331 1.00 10.38 O ATOM 798 CB VAL A 85 21.238 -41.946 131.918 1.00 9.39 C ATOM 799 CG1 VAL A 85 21.975 -43.198 131.471 1.00 10.43 C ATOM 800 CG2 VAL A 85 21.167 -41.877 133.424 1.00 10.37 C ATOM 801 H VAL A 85 20.335 -39.433 132.048 1.00 0.00 H ATOM 802 N LEU A 86 22.839 -40.667 129.091 1.00 8.72 N ATOM 803 CA LEU A 86 22.794 -40.408 127.651 1.00 9.23 C ATOM 804 C LEU A 86 22.561 -41.714 126.906 1.00 9.08 C ATOM 805 O LEU A 86 23.468 -42.356 126.381 1.00 10.56 O ATOM 806 CB LEU A 86 24.055 -39.712 127.184 1.00 9.54 C ATOM 807 CG LEU A 86 24.421 -38.425 127.882 1.00 10.81 C ATOM 808 CD1 LEU A 86 25.628 -37.815 127.196 1.00 11.43 C ATOM 809 CD2 LEU A 86 23.253 -37.458 127.953 1.00 11.79 C ATOM 810 H LEU A 86 23.751 -40.870 129.547 1.00 0.00 H ATOM 811 N ILE A 87 21.303 -42.134 126.881 1.00 10.22 N ATOM 812 CA ILE A 87 20.902 -43.358 126.206 1.00 11.36 C ATOM 813 C ILE A 87 20.634 -43.056 124.746 1.00 11.27 C ATOM 814 O ILE A 87 19.883 -42.148 124.411 1.00 13.21 O ATOM 815 CB ILE A 87 19.672 -43.965 126.885 1.00 14.56 C ATOM 816 CG1 ILE A 87 20.069 -44.464 128.288 1.00 17.34 C ATOM 817 CG2 ILE A 87 19.098 -45.117 126.063 1.00 16.42 C ATOM 818 CD1 ILE A 87 18.915 -44.762 129.155 1.00 19.97 C ATOM 819 H ILE A 87 20.576 -41.567 127.362 1.00 0.00 H ATOM 820 N LYS A 88 21.246 -43.822 123.883 1.00 11.89 N ATOM 821 CA LYS A 88 20.992 -43.803 122.466 1.00 12.88 C ATOM 822 C LYS A 88 20.289 -45.097 122.128 1.00 12.37 C ATOM 823 O LYS A 88 20.493 -46.128 122.779 1.00 14.20 O ATOM 824 CB LYS A 88 22.297 -43.765 121.663 1.00 14.39 C ATOM 825 CG LYS A 88 22.967 -42.425 121.551 1.00 16.36 C ATOM 826 CD LYS A 88 24.122 -42.517 120.582 1.00 16.69 C ATOM 827 CE LYS A 88 24.717 -41.168 120.282 1.00 18.06 C ATOM 828 NZ LYS A 88 25.914 -41.298 119.448 1.00 17.60 N ATOM 829 HZ1 LYS A 88 26.622 -41.873 119.948 1.00 0.00 H ATOM 830 HZ2 LYS A 88 25.662 -41.760 118.551 1.00 0.00 H ATOM 831 HZ3 LYS A 88 26.305 -40.354 119.255 1.00 0.00 H ATOM 832 H LYS A 88 21.961 -44.487 124.242 1.00 0.00 H ATOM 833 N ARG A 89 19.502 -45.059 121.078 1.00 12.35 N ATOM 834 CA ARG A 89 18.974 -46.288 120.518 1.00 15.43 C ATOM 835 C ARG A 89 19.607 -46.523 119.159 1.00 13.47 C ATOM 836 O ARG A 89 20.299 -45.675 118.591 1.00 12.57 O ATOM 837 CB ARG A 89 17.443 -46.292 120.484 1.00 21.89 C ATOM 838 CG ARG A 89 16.819 -46.268 121.911 1.00 26.24 C ATOM 839 CD ARG A 89 17.042 -47.594 122.695 1.00 27.92 C ATOM 840 NE ARG A 89 16.797 -47.512 124.152 1.00 29.49 N ATOM 841 CZ ARG A 89 15.623 -47.725 124.746 1.00 31.82 C ATOM 842 NH1 ARG A 89 14.538 -48.027 124.032 1.00 32.91 N ATOM 843 NH2 ARG A 89 15.521 -47.639 126.067 1.00 33.16 N ATOM 844 HE ARG A 89 17.605 -47.269 124.761 1.00 0.00 H ATOM 845 HH12 ARG A 89 13.629 -48.190 124.511 1.00 0.00 H ATOM 846 HH11 ARG A 89 14.601 -48.099 122.996 1.00 0.00 H ATOM 847 HH22 ARG A 89 14.605 -47.805 126.530 1.00 0.00 H ATOM 848 HH21 ARG A 89 16.358 -47.405 126.639 1.00 0.00 H ATOM 849 H ARG A 89 19.257 -44.145 120.647 1.00 0.00 H ATOM 850 N ASP A 90 19.376 -47.719 118.648 1.00 13.63 N ATOM 851 CA ASP A 90 20.067 -48.140 117.424 1.00 14.84 C ATOM 852 C ASP A 90 19.767 -47.228 116.241 1.00 13.83 C ATOM 853 O ASP A 90 20.617 -47.058 115.360 1.00 15.61 O ATOM 854 CB ASP A 90 19.670 -49.566 117.070 1.00 18.31 C ATOM 855 CG ASP A 90 20.313 -50.590 117.973 1.00 23.19 C ATOM 856 OD1 ASP A 90 21.315 -50.255 118.657 1.00 24.58 O ATOM 857 OD2 ASP A 90 19.822 -51.742 117.979 1.00 26.26 O ATOM 858 H ASP A 90 18.704 -48.362 119.113 1.00 0.00 H ATOM 859 N SER A 91 18.578 -46.639 116.199 1.00 12.44 N ATOM 860 CA SER A 91 18.248 -45.743 115.105 1.00 11.87 C ATOM 861 C SER A 91 19.055 -44.459 115.130 1.00 11.38 C ATOM 862 O SER A 91 19.028 -43.710 114.151 1.00 11.76 O ATOM 863 CB SER A 91 16.786 -45.343 115.186 1.00 11.93 C ATOM 864 OG SER A 91 16.603 -44.601 116.379 1.00 11.78 O ATOM 865 HG SER A 91 15.654 -44.328 116.454 1.00 0.00 H ATOM 866 H SER A 91 17.882 -46.820 116.950 1.00 0.00 H ATOM 867 N GLY A 92 19.702 -44.158 116.259 1.00 12.03 N ATOM 868 CA GLY A 92 20.364 -42.887 116.481 1.00 13.06 C ATOM 869 C GLY A 92 19.539 -41.903 117.280 1.00 12.83 C ATOM 870 O GLY A 92 20.021 -40.820 117.612 1.00 14.25 O ATOM 871 H GLY A 92 19.733 -44.870 117.016 1.00 0.00 H ATOM 872 N GLU A 93 18.311 -42.261 117.615 1.00 11.95 N ATOM 873 CA GLU A 93 17.480 -41.431 118.463 1.00 11.16 C ATOM 874 C GLU A 93 18.165 -41.287 119.815 1.00 11.30 C ATOM 875 O GLU A 93 18.738 -42.240 120.352 1.00 12.92 O ATOM 876 CB GLU A 93 16.117 -42.100 118.636 1.00 12.22 C ATOM 877 CG GLU A 93 15.124 -41.342 119.516 1.00 15.23 C ATOM 878 CD GLU A 93 13.805 -42.083 119.729 1.00 17.69 C ATOM 879 OE1 GLU A 93 13.701 -43.272 119.358 1.00 18.54 O ATOM 880 OE2 GLU A 93 12.860 -41.455 120.257 1.00 20.27 O ATOM 881 H GLU A 93 17.932 -43.162 117.260 1.00 0.00 H ATOM 882 N LEU A 94 18.073 -40.092 120.363 1.00 11.68 N ATOM 883 CA LEU A 94 18.689 -39.730 121.629 1.00 11.34 C ATOM 884 C LEU A 94 17.624 -39.686 122.711 1.00 12.44 C ATOM 885 O LEU A 94 16.609 -39.005 122.554 1.00 14.06 O ATOM 886 CB LEU A 94 19.302 -38.341 121.508 1.00 12.52 C ATOM 887 CG LEU A 94 20.200 -38.097 120.319 1.00 14.30 C ATOM 888 CD1 LEU A 94 20.752 -36.682 120.382 1.00 15.71 C ATOM 889 CD2 LEU A 94 21.293 -39.127 120.243 1.00 14.35 C ATOM 890 H LEU A 94 17.527 -39.364 119.859 1.00 0.00 H ATOM 891 N LEU A 95 17.825 -40.409 123.809 1.00 13.51 N ATOM 892 CA LEU A 95 16.800 -40.515 124.849 1.00 15.39 C ATOM 893 C LEU A 95 17.414 -40.231 126.202 1.00 16.45 C ATOM 894 O LEU A 95 17.642 -41.152 127.000 1.00 19.69 O ATOM 895 CB LEU A 95 16.109 -41.873 124.821 1.00 18.86 C ATOM 896 CG LEU A 95 15.262 -42.069 123.562 1.00 22.28 C ATOM 897 CD1 LEU A 95 14.758 -43.492 123.510 1.00 24.37 C ATOM 898 CD2 LEU A 95 14.084 -41.103 123.488 1.00 22.57 C ATOM 899 H LEU A 95 18.729 -40.909 123.931 1.00 0.00 H ATOM 900 N PRO A 96 17.681 -38.968 126.509 1.00 16.49 N ATOM 901 CA PRO A 96 18.310 -38.664 127.801 1.00 16.73 C ATOM 902 C PRO A 96 17.344 -38.970 128.937 1.00 16.12 C ATOM 903 O PRO A 96 16.149 -38.648 128.866 1.00 18.72 O ATOM 904 CB PRO A 96 18.590 -37.159 127.716 1.00 18.96 C ATOM 905 CG PRO A 96 17.628 -36.651 126.689 1.00 19.39 C ATOM 906 CD PRO A 96 17.480 -37.759 125.702 1.00 18.25 C ATOM 907 N LEU A 97 17.855 -39.576 129.992 1.00 13.58 N ATOM 908 CA LEU A 97 17.061 -39.944 131.158 1.00 13.14 C ATOM 909 C LEU A 97 17.541 -39.107 132.334 1.00 10.97 C ATOM 910 O LEU A 97 18.714 -39.166 132.688 1.00 11.77 O ATOM 911 CB LEU A 97 17.299 -41.426 131.402 1.00 16.80 C ATOM 912 CG LEU A 97 16.682 -42.122 132.590 1.00 21.04 C ATOM 913 CD1 LEU A 97 15.169 -42.168 132.391 1.00 23.91 C ATOM 914 CD2 LEU A 97 17.285 -43.517 132.713 1.00 22.56 C ATOM 915 H LEU A 97 18.870 -39.801 129.992 1.00 0.00 H ATOM 916 N ALA A 98 16.644 -38.363 132.964 1.00 11.25 N ATOM 917 CA ALA A 98 16.997 -37.540 134.103 1.00 11.41 C ATOM 918 C ALA A 98 16.883 -38.372 135.368 1.00 10.58 C ATOM 919 O ALA A 98 15.865 -39.026 135.595 1.00 11.69 O ATOM 920 CB ALA A 98 16.080 -36.329 134.189 1.00 13.40 C ATOM 921 H ALA A 98 15.659 -38.370 132.632 1.00 0.00 H ATOM 922 N VAL A 99 17.915 -38.312 136.198 1.00 9.82 N ATOM 923 CA VAL A 99 18.026 -39.114 137.417 1.00 10.34 C ATOM 924 C VAL A 99 18.549 -38.228 138.540 1.00 10.54 C ATOM 925 O VAL A 99 19.453 -37.421 138.327 1.00 14.39 O ATOM 926 CB VAL A 99 18.989 -40.307 137.189 1.00 11.34 C ATOM 927 CG1 VAL A 99 19.121 -41.182 138.443 1.00 10.87 C ATOM 928 CG2 VAL A 99 18.548 -41.154 135.999 1.00 12.73 C ATOM 929 H VAL A 99 18.690 -37.657 135.970 1.00 0.00 H ATOM 930 N ARG A 100 18.004 -38.399 139.740 1.00 10.23 N ATOM 931 CA ARG A 100 18.500 -37.733 140.941 1.00 10.80 C ATOM 932 C ARG A 100 19.391 -38.722 141.666 1.00 9.92 C ATOM 933 O ARG A 100 18.944 -39.799 142.023 1.00 11.12 O ATOM 934 CB ARG A 100 17.334 -37.333 141.836 1.00 13.44 C ATOM 935 CG ARG A 100 17.713 -36.897 143.227 1.00 18.57 C ATOM 936 CD ARG A 100 18.068 -35.476 143.285 1.00 21.87 C ATOM 937 NE ARG A 100 16.917 -34.623 142.995 1.00 22.82 N ATOM 938 CZ ARG A 100 16.970 -33.296 142.944 1.00 26.39 C ATOM 939 NH1 ARG A 100 18.113 -32.668 143.179 1.00 27.52 N ATOM 940 NH2 ARG A 100 15.881 -32.588 142.665 1.00 28.40 N ATOM 941 HE ARG A 100 16.001 -35.082 142.818 1.00 0.00 H ATOM 942 HH12 ARG A 100 18.154 -31.630 143.139 1.00 0.00 H ATOM 943 HH11 ARG A 100 18.969 -33.214 143.404 1.00 0.00 H ATOM 944 HH22 ARG A 100 15.931 -31.550 142.627 1.00 0.00 H ATOM 945 HH21 ARG A 100 14.978 -33.072 142.484 1.00 0.00 H ATOM 946 H ARG A 100 17.187 -39.036 139.828 1.00 0.00 H ATOM 947 N MET A 101 20.633 -38.340 141.919 1.00 10.89 N ATOM 948 CA MET A 101 21.609 -39.279 142.440 1.00 10.81 C ATOM 949 C MET A 101 21.594 -39.331 143.957 1.00 11.78 C ATOM 950 O MET A 101 21.376 -38.324 144.645 1.00 12.28 O ATOM 951 CB MET A 101 23.011 -38.926 141.937 1.00 12.90 C ATOM 952 CG MET A 101 23.107 -38.953 140.398 1.00 14.03 C ATOM 953 SD MET A 101 22.496 -40.470 139.601 1.00 13.95 S ATOM 954 CE MET A 101 23.697 -41.636 140.179 1.00 15.77 C ATOM 955 H MET A 101 20.913 -37.354 141.742 1.00 0.00 H ATOM 956 N GLY A 102 21.814 -40.532 144.450 1.00 12.64 N ATOM 957 CA GLY A 102 21.902 -40.827 145.854 1.00 13.62 C ATOM 958 C GLY A 102 23.298 -41.235 146.264 1.00 14.68 C ATOM 959 O GLY A 102 24.271 -40.636 145.821 1.00 16.44 O ATOM 960 H GLY A 102 21.932 -41.318 143.780 1.00 0.00 H ATOM 961 N ALA A 103 23.421 -42.230 147.122 1.00 15.65 N ATOM 962 CA ALA A 103 24.693 -42.518 147.746 1.00 16.58 C ATOM 963 C ALA A 103 25.594 -43.350 146.835 1.00 15.81 C ATOM 964 O ALA A 103 25.146 -44.252 146.121 1.00 15.46 O ATOM 965 CB ALA A 103 24.471 -43.270 149.057 1.00 17.27 C ATOM 966 H ALA A 103 22.592 -42.815 147.352 1.00 0.00 H ATOM 967 N ILE A 104 26.894 -43.088 146.943 1.00 16.93 N ATOM 968 CA ILE A 104 27.916 -43.939 146.345 1.00 18.18 C ATOM 969 C ILE A 104 28.197 -45.073 147.313 1.00 19.47 C ATOM 970 O ILE A 104 28.362 -44.841 148.515 1.00 21.45 O ATOM 971 CB ILE A 104 29.192 -43.127 146.083 1.00 20.49 C ATOM 972 CG1 ILE A 104 28.876 -42.006 145.087 1.00 21.18 C ATOM 973 CG2 ILE A 104 30.316 -44.025 145.589 1.00 22.46 C ATOM 974 CD1 ILE A 104 29.959 -40.991 144.951 1.00 22.30 C ATOM 975 H ILE A 104 27.192 -42.245 147.474 1.00 0.00 H ATOM 976 N ALA A 105 28.210 -46.301 146.813 1.00 19.41 N ATOM 977 CA ALA A 105 28.454 -47.433 147.696 1.00 22.26 C ATOM 978 C ALA A 105 28.900 -48.628 146.875 1.00 23.27 C ATOM 979 O ALA A 105 28.774 -48.658 145.650 1.00 23.73 O ATOM 980 CB ALA A 105 27.195 -47.792 148.480 1.00 24.18 C ATOM 981 H ALA A 105 28.047 -46.455 145.797 1.00 0.00 H ATOM 982 N SER A 106 29.422 -49.623 147.575 1.00 25.31 N ATOM 983 CA SER A 106 29.718 -50.907 146.971 1.00 27.44 C ATOM 984 C SER A 106 28.539 -51.832 147.212 1.00 27.89 C ATOM 985 O SER A 106 28.035 -51.926 148.333 1.00 28.87 O ATOM 986 CB SER A 106 30.997 -51.493 147.562 1.00 30.67 C ATOM 987 OG SER A 106 32.115 -50.890 146.929 1.00 32.99 O ATOM 988 HG SER A 106 32.949 -51.265 147.307 1.00 0.00 H ATOM 989 H SER A 106 29.625 -49.480 148.585 1.00 0.00 H ATOM 990 N MET A 107 28.090 -52.488 146.154 1.00 28.76 N ATOM 991 CA MET A 107 26.919 -53.339 146.179 1.00 32.29 C ATOM 992 C MET A 107 27.267 -54.620 145.444 1.00 32.02 C ATOM 993 O MET A 107 28.236 -54.671 144.680 1.00 33.36 O ATOM 994 CB MET A 107 25.748 -52.671 145.441 1.00 36.30 C ATOM 995 CG MET A 107 25.601 -51.176 145.686 1.00 38.68 C ATOM 996 SD MET A 107 24.670 -50.372 144.381 1.00 41.15 S ATOM 997 CE MET A 107 25.097 -48.659 144.694 1.00 41.93 C ATOM 998 H MET A 107 28.606 -52.387 145.257 1.00 0.00 H ATOM 999 N ARG A 108 26.443 -55.638 145.643 1.00 32.10 N ATOM 1000 CA ARG A 108 26.482 -56.853 144.847 1.00 32.12 C ATOM 1001 C ARG A 108 25.180 -56.914 144.064 1.00 32.17 C ATOM 1002 O ARG A 108 24.098 -56.784 144.646 1.00 33.19 O ATOM 1003 CB ARG A 108 26.643 -58.090 145.737 1.00 32.71 C ATOM 1004 H ARG A 108 25.737 -55.564 146.403 1.00 0.00 H ATOM 1005 N ILE A 109 25.288 -57.058 142.745 1.00 30.94 N ATOM 1006 CA ILE A 109 24.131 -57.098 141.858 1.00 31.23 C ATOM 1007 C ILE A 109 24.307 -58.311 140.959 1.00 32.04 C ATOM 1008 O ILE A 109 25.295 -58.402 140.224 1.00 32.00 O ATOM 1009 CB ILE A 109 24.005 -55.811 141.024 1.00 30.31 C ATOM 1010 CG1 ILE A 109 23.946 -54.585 141.948 1.00 30.04 C ATOM 1011 CG2 ILE A 109 22.783 -55.884 140.109 1.00 30.50 C ATOM 1012 CD1 ILE A 109 23.784 -53.246 141.247 1.00 30.14 C ATOM 1013 H ILE A 109 26.237 -57.146 142.330 1.00 0.00 H ATOM 1014 N GLN A 110 23.364 -59.247 141.025 1.00 33.56 N ATOM 1015 CA GLN A 110 23.505 -60.513 140.305 1.00 35.45 C ATOM 1016 C GLN A 110 24.873 -61.131 140.560 1.00 36.19 C ATOM 1017 O GLN A 110 25.554 -61.595 139.641 1.00 35.71 O ATOM 1018 CB GLN A 110 23.281 -60.327 138.811 1.00 36.21 C ATOM 1019 CG GLN A 110 21.852 -60.203 138.428 1.00 36.90 C ATOM 1020 CD GLN A 110 21.707 -59.939 136.957 1.00 37.97 C ATOM 1021 OE1 GLN A 110 21.064 -58.982 136.562 1.00 36.17 O ATOM 1022 NE2 GLN A 110 22.318 -60.784 136.133 1.00 39.64 N ATOM 1023 HE22 GLN A 110 22.856 -61.587 136.517 1.00 0.00 H ATOM 1024 HE21 GLN A 110 22.258 -60.642 135.104 1.00 0.00 H ATOM 1025 H GLN A 110 22.513 -59.076 141.598 1.00 0.00 H ATOM 1026 N GLY A 111 25.290 -61.109 141.821 1.00 36.97 N ATOM 1027 CA GLY A 111 26.567 -61.659 142.207 1.00 37.45 C ATOM 1028 C GLY A 111 27.775 -60.890 141.729 1.00 37.31 C ATOM 1029 O GLY A 111 28.898 -61.273 142.070 1.00 37.27 O ATOM 1030 H GLY A 111 24.680 -60.684 142.549 1.00 0.00 H ATOM 1031 N ARG A 112 27.598 -59.828 140.949 1.00 36.40 N ATOM 1032 CA ARG A 112 28.729 -59.019 140.524 1.00 36.46 C ATOM 1033 C ARG A 112 28.900 -57.856 141.486 1.00 33.57 C ATOM 1034 O ARG A 112 27.924 -57.215 141.890 1.00 32.18 O ATOM 1035 CB ARG A 112 28.527 -58.492 139.102 1.00 38.91 C ATOM 1036 CG ARG A 112 28.053 -59.559 138.130 1.00 41.14 C ATOM 1037 CD ARG A 112 28.770 -59.484 136.801 1.00 42.83 C ATOM 1038 NE ARG A 112 27.934 -60.001 135.723 1.00 43.53 N ATOM 1039 CZ ARG A 112 28.347 -60.193 134.476 1.00 44.08 C ATOM 1040 NH1 ARG A 112 29.604 -59.929 134.137 1.00 44.27 N ATOM 1041 NH2 ARG A 112 27.501 -60.661 133.568 1.00 44.37 N ATOM 1042 HE ARG A 112 26.946 -60.235 135.947 1.00 0.00 H ATOM 1043 HH12 ARG A 112 29.922 -60.081 133.158 1.00 0.00 H ATOM 1044 HH11 ARG A 112 30.270 -59.570 134.850 1.00 0.00 H ATOM 1045 HH22 ARG A 112 27.820 -60.813 132.590 1.00 0.00 H ATOM 1046 HH21 ARG A 112 26.519 -60.876 133.834 1.00 0.00 H ATOM 1047 H ARG A 112 26.639 -59.573 140.639 1.00 0.00 H ATOM 1048 N LEU A 113 30.146 -57.598 141.861 1.00 31.64 N ATOM 1049 CA LEU A 113 30.456 -56.418 142.656 1.00 31.81 C ATOM 1050 C LEU A 113 30.309 -55.173 141.789 1.00 28.43 C ATOM 1051 O LEU A 113 30.974 -55.033 140.755 1.00 28.60 O ATOM 1052 CB LEU A 113 31.877 -56.513 143.202 1.00 34.87 C ATOM 1053 CG LEU A 113 32.344 -55.315 144.036 1.00 37.90 C ATOM 1054 CD1 LEU A 113 31.470 -55.138 145.270 1.00 38.38 C ATOM 1055 CD2 LEU A 113 33.807 -55.475 144.438 1.00 39.41 C ATOM 1056 H LEU A 113 30.911 -58.246 141.584 1.00 0.00 H ATOM 1057 N VAL A 114 29.452 -54.263 142.222 1.00 25.95 N ATOM 1058 CA VAL A 114 29.269 -52.986 141.559 1.00 23.98 C ATOM 1059 C VAL A 114 29.699 -51.906 142.532 1.00 22.61 C ATOM 1060 O VAL A 114 29.108 -51.758 143.605 1.00 23.94 O ATOM 1061 CB VAL A 114 27.821 -52.779 141.099 1.00 23.73 C ATOM 1062 CG1 VAL A 114 27.690 -51.431 140.412 1.00 23.04 C ATOM 1063 CG2 VAL A 114 27.411 -53.904 140.158 1.00 24.27 C ATOM 1064 H VAL A 114 28.888 -54.471 143.070 1.00 0.00 H ATOM 1065 N HIS A 115 30.731 -51.155 142.170 1.00 20.04 N ATOM 1066 CA HIS A 115 31.064 -49.943 142.901 1.00 18.80 C ATOM 1067 C HIS A 115 30.327 -48.828 142.193 1.00 16.26 C ATOM 1068 O HIS A 115 30.672 -48.475 141.066 1.00 16.83 O ATOM 1069 CB HIS A 115 32.567 -49.691 142.938 1.00 21.60 C ATOM 1070 CG HIS A 115 32.926 -48.450 143.682 1.00 23.56 C ATOM 1071 ND1 HIS A 115 32.646 -48.284 145.022 1.00 25.80 N ATOM 1072 CD2 HIS A 115 33.525 -47.309 143.278 1.00 24.89 C ATOM 1073 CE1 HIS A 115 33.065 -47.092 145.411 1.00 25.98 C ATOM 1074 NE2 HIS A 115 33.603 -46.481 144.371 1.00 26.04 N ATOM 1075 H HIS A 115 31.309 -51.437 141.353 1.00 0.00 H ATOM 1076 N GLY A 116 29.285 -48.315 142.826 1.00 15.70 N ATOM 1077 CA GLY A 116 28.371 -47.507 142.060 1.00 15.36 C ATOM 1078 C GLY A 116 27.705 -46.429 142.866 1.00 15.34 C ATOM 1079 O GLY A 116 27.984 -46.210 144.039 1.00 17.53 O ATOM 1080 H GLY A 116 29.131 -48.489 143.840 1.00 0.00 H ATOM 1081 N GLN A 117 26.830 -45.717 142.185 1.00 12.85 N ATOM 1082 CA GLN A 117 26.022 -44.698 142.814 1.00 11.70 C ATOM 1083 C GLN A 117 24.589 -44.986 142.424 1.00 11.53 C ATOM 1084 O GLN A 117 24.275 -45.175 141.246 1.00 11.82 O ATOM 1085 CB GLN A 117 26.453 -43.321 142.333 1.00 12.54 C ATOM 1086 CG GLN A 117 25.841 -42.239 143.146 1.00 12.39 C ATOM 1087 CD GLN A 117 26.470 -40.879 142.937 1.00 12.89 C ATOM 1088 OE1 GLN A 117 27.364 -40.718 142.100 1.00 14.94 O ATOM 1089 NE2 GLN A 117 26.016 -39.889 143.699 1.00 13.98 N ATOM 1090 HE22 GLN A 117 25.261 -40.070 144.391 1.00 0.00 H ATOM 1091 HE21 GLN A 117 26.415 -38.934 143.603 1.00 0.00 H ATOM 1092 H GLN A 117 26.718 -45.894 141.166 1.00 0.00 H ATOM 1093 N SER A 118 23.710 -45.063 143.420 1.00 12.03 N ATOM 1094 CA SER A 118 22.293 -45.254 143.168 1.00 11.86 C ATOM 1095 C SER A 118 21.671 -43.923 142.783 1.00 11.16 C ATOM 1096 O SER A 118 22.169 -42.854 143.143 1.00 12.43 O ATOM 1097 CB SER A 118 21.588 -45.799 144.415 1.00 13.65 C ATOM 1098 OG SER A 118 22.053 -47.091 144.769 1.00 14.60 O ATOM 1099 HG SER A 118 23.024 -47.051 144.956 1.00 0.00 H ATOM 1100 H SER A 118 24.046 -44.985 144.401 1.00 0.00 H ATOM 1101 N GLY A 119 20.570 -44.003 142.056 1.00 11.10 N ATOM 1102 CA GLY A 119 19.797 -42.822 141.730 1.00 10.35 C ATOM 1103 C GLY A 119 18.356 -43.208 141.507 1.00 10.20 C ATOM 1104 O GLY A 119 18.007 -44.382 141.373 1.00 11.45 O ATOM 1105 H GLY A 119 20.253 -44.932 141.711 1.00 0.00 H ATOM 1106 N MET A 120 17.526 -42.184 141.464 1.00 9.81 N ATOM 1107 CA MET A 120 16.113 -42.362 141.233 1.00 11.54 C ATOM 1108 C MET A 120 15.712 -41.646 139.978 1.00 10.28 C ATOM 1109 O MET A 120 16.031 -40.476 139.794 1.00 11.29 O ATOM 1110 CB MET A 120 15.313 -41.838 142.388 1.00 16.48 C ATOM 1111 CG MET A 120 15.589 -42.779 143.522 1.00 23.05 C ATOM 1112 SD MET A 120 14.468 -42.735 144.841 1.00 29.42 S ATOM 1113 CE MET A 120 14.898 -41.055 145.308 1.00 22.94 C ATOM 1114 H MET A 120 17.900 -41.223 141.600 1.00 0.00 H ATOM 1115 N LEU A 121 15.020 -42.362 139.116 1.00 11.80 N ATOM 1116 CA LEU A 121 14.486 -41.757 137.922 1.00 13.78 C ATOM 1117 C LEU A 121 13.555 -40.629 138.316 1.00 12.97 C ATOM 1118 O LEU A 121 12.723 -40.774 139.215 1.00 14.75 O ATOM 1119 CB LEU A 121 13.712 -42.823 137.145 1.00 19.13 C ATOM 1120 CG LEU A 121 13.098 -42.476 135.785 1.00 24.40 C ATOM 1121 CD1 LEU A 121 13.110 -43.690 134.871 1.00 26.94 C ATOM 1122 CD2 LEU A 121 11.668 -41.996 135.989 1.00 26.82 C ATOM 1123 H LEU A 121 14.858 -43.373 139.299 1.00 0.00 H ATOM 1124 N LEU A 122 13.677 -39.503 137.619 1.00 12.79 N ATOM 1125 CA LEU A 122 12.783 -38.368 137.849 1.00 14.16 C ATOM 1126 C LEU A 122 11.584 -38.538 136.932 1.00 16.62 C ATOM 1127 O LEU A 122 11.635 -38.194 135.749 1.00 17.86 O ATOM 1128 CB LEU A 122 13.507 -37.053 137.602 1.00 16.19 C ATOM 1129 CG LEU A 122 14.591 -36.741 138.633 1.00 17.44 C ATOM 1130 CD1 LEU A 122 15.495 -35.655 138.160 1.00 19.27 C ATOM 1131 CD2 LEU A 122 13.961 -36.318 139.959 1.00 18.66 C ATOM 1132 H LEU A 122 14.422 -39.428 136.897 1.00 0.00 H ATOM 1133 N THR A 123 10.502 -39.099 137.476 1.00 19.64 N ATOM 1134 CA THR A 123 9.264 -39.234 136.707 1.00 24.24 C ATOM 1135 C THR A 123 8.864 -37.911 136.065 1.00 26.35 C ATOM 1136 O THR A 123 8.378 -37.885 134.930 1.00 30.53 O ATOM 1137 CB THR A 123 8.097 -39.690 137.595 1.00 26.77 C ATOM 1138 OG1 THR A 123 8.412 -40.926 138.244 1.00 28.61 O ATOM 1139 CG2 THR A 123 6.789 -39.816 136.781 1.00 28.70 C ATOM 1140 HG1 THR A 123 7.649 -41.203 138.811 1.00 0.00 H ATOM 1141 H THR A 123 10.539 -39.444 138.456 1.00 0.00 H ATOM 1142 N GLY A 124 9.056 -36.802 136.780 1.00 26.66 N ATOM 1143 CA GLY A 124 8.607 -35.491 136.333 1.00 28.06 C ATOM 1144 C GLY A 124 9.492 -34.801 135.323 1.00 27.43 C ATOM 1145 O GLY A 124 9.155 -33.720 134.833 1.00 28.48 O ATOM 1146 H GLY A 124 9.546 -36.876 137.694 1.00 0.00 H ATOM 1147 N ALA A 125 10.620 -35.401 134.956 1.00 24.44 N ATOM 1148 CA ALA A 125 11.551 -34.784 134.022 1.00 23.15 C ATOM 1149 C ALA A 125 11.763 -35.650 132.796 1.00 22.21 C ATOM 1150 O ALA A 125 12.619 -35.344 131.962 1.00 24.47 O ATOM 1151 CB ALA A 125 12.891 -34.488 134.701 1.00 24.42 C ATOM 1152 H ALA A 125 10.844 -36.338 135.347 1.00 0.00 H ATOM 1153 N ASN A 126 10.983 -36.697 132.656 1.00 21.56 N ATOM 1154 CA ASN A 126 11.153 -37.683 131.611 1.00 21.87 C ATOM 1155 C ASN A 126 9.800 -37.921 130.971 1.00 25.13 C ATOM 1156 O ASN A 126 8.769 -37.807 131.630 1.00 27.37 O ATOM 1157 CB ASN A 126 11.694 -39.012 132.217 1.00 22.14 C ATOM 1158 CG ASN A 126 13.157 -38.929 132.634 1.00 21.14 C ATOM 1159 OD1 ASN A 126 14.011 -38.548 131.861 1.00 19.89 O ATOM 1160 ND2 ASN A 126 13.446 -39.300 133.863 1.00 21.45 N ATOM 1161 HD22 ASN A 126 12.690 -39.622 134.501 1.00 0.00 H ATOM 1162 HD21 ASN A 126 14.431 -39.272 134.197 1.00 0.00 H ATOM 1163 H ASN A 126 10.202 -36.824 133.331 1.00 0.00 H ATOM 1164 N ALA A 127 9.822 -38.254 129.683 1.00 26.42 N ATOM 1165 CA ALA A 127 8.610 -38.627 128.965 1.00 29.82 C ATOM 1166 C ALA A 127 8.208 -40.054 129.325 1.00 33.98 C ATOM 1167 O ALA A 127 9.058 -40.911 129.589 1.00 34.85 O ATOM 1168 CB ALA A 127 8.830 -38.497 127.454 1.00 30.41 C ATOM 1169 H ALA A 127 10.729 -38.248 129.175 1.00 0.00 H ATOM 1170 N LYS A 128 6.902 -40.303 129.352 1.00 37.24 N ATOM 1171 CA LYS A 128 6.384 -41.591 129.795 1.00 40.55 C ATOM 1172 C LYS A 128 6.496 -42.626 128.683 1.00 43.18 C ATOM 1173 O LYS A 128 6.258 -42.327 127.508 1.00 42.70 O ATOM 1174 CB LYS A 128 4.922 -41.450 130.217 1.00 40.70 C ATOM 1175 H LYS A 128 6.236 -39.563 129.051 1.00 0.00 H ATOM 1176 N GLY A 129 6.884 -43.843 129.062 1.00 45.99 N ATOM 1177 CA GLY A 129 6.880 -44.982 128.158 1.00 47.93 C ATOM 1178 C GLY A 129 8.098 -45.092 127.265 1.00 49.40 C ATOM 1179 O GLY A 129 8.069 -45.808 126.262 1.00 50.06 O ATOM 1180 H GLY A 129 7.202 -43.984 130.042 1.00 0.00 H TER 1181 GLY A 129 ATOM 1182 N LEU A 132 13.425 -47.223 129.078 1.00 29.27 N ATOM 1183 CA LEU A 132 14.678 -46.468 129.213 1.00 29.72 C ATOM 1184 C LEU A 132 15.460 -46.827 130.472 1.00 27.27 C ATOM 1185 O LEU A 132 14.997 -46.656 131.607 1.00 27.01 O ATOM 1186 CB LEU A 132 14.422 -44.960 129.179 1.00 31.82 C ATOM 1187 HN3 LEU A 132 12.814 -47.027 129.896 1.00 0.00 H ATOM 1188 HN2 LEU A 132 13.637 -48.240 129.038 1.00 0.00 H ATOM 1189 HN1 LEU A 132 12.940 -46.935 128.204 1.00 0.00 H ATOM 1190 N GLY A 133 16.669 -47.308 130.234 1.00 24.78 N ATOM 1191 CA GLY A 133 17.521 -47.831 131.268 1.00 23.70 C ATOM 1192 C GLY A 133 17.189 -49.243 131.676 1.00 23.52 C ATOM 1193 O GLY A 133 17.917 -49.819 132.495 1.00 22.54 O ATOM 1194 H GLY A 133 17.019 -47.308 129.255 1.00 0.00 H ATOM 1195 N THR A 134 16.122 -49.823 131.119 1.00 25.26 N ATOM 1196 CA THR A 134 15.594 -51.104 131.574 1.00 27.10 C ATOM 1197 C THR A 134 15.644 -52.179 130.493 1.00 29.01 C ATOM 1198 O THR A 134 14.862 -53.138 130.539 1.00 30.96 O ATOM 1199 CB THR A 134 14.165 -50.935 132.096 1.00 28.56 C ATOM 1200 OG1 THR A 134 13.345 -50.333 131.086 1.00 30.58 O ATOM 1201 CG2 THR A 134 14.155 -50.054 133.325 1.00 28.25 C ATOM 1202 HG1 THR A 134 12.423 -50.227 131.431 1.00 0.00 H ATOM 1203 H THR A 134 15.648 -49.341 130.328 1.00 0.00 H ATOM 1204 N ILE A 135 16.548 -52.042 129.529 1.00 30.31 N ATOM 1205 CA ILE A 135 16.793 -53.102 128.556 1.00 32.13 C ATOM 1206 C ILE A 135 18.296 -53.362 128.569 1.00 30.80 C ATOM 1207 O ILE A 135 19.068 -52.439 128.867 1.00 29.99 O ATOM 1208 CB ILE A 135 16.250 -52.726 127.166 1.00 34.74 C ATOM 1209 CG1 ILE A 135 16.872 -51.415 126.669 1.00 36.08 C ATOM 1210 CG2 ILE A 135 14.728 -52.618 127.222 1.00 35.64 C ATOM 1211 CD1 ILE A 135 16.534 -51.075 125.211 1.00 36.98 C ATOM 1212 H ILE A 135 17.094 -51.159 129.466 1.00 0.00 H ATOM 1213 N PRO A 136 18.761 -54.585 128.289 1.00 30.81 N ATOM 1214 CA PRO A 136 20.210 -54.847 128.369 1.00 30.55 C ATOM 1215 C PRO A 136 21.036 -53.898 127.528 1.00 28.50 C ATOM 1216 O PRO A 136 22.172 -53.562 127.897 1.00 28.75 O ATOM 1217 CB PRO A 136 20.336 -56.293 127.862 1.00 31.35 C ATOM 1218 CG PRO A 136 19.023 -56.897 128.071 1.00 32.31 C ATOM 1219 CD PRO A 136 18.002 -55.795 127.935 1.00 31.70 C ATOM 1220 N GLY A 137 20.489 -53.456 126.398 1.00 25.39 N ATOM 1221 CA GLY A 137 21.240 -52.655 125.465 1.00 22.48 C ATOM 1222 C GLY A 137 21.582 -51.287 125.983 1.00 18.73 C ATOM 1223 O GLY A 137 22.422 -50.619 125.381 1.00 18.90 O ATOM 1224 H GLY A 137 19.499 -53.694 126.184 1.00 0.00 H ATOM 1225 N ASP A 138 20.939 -50.833 127.072 1.00 17.39 N ATOM 1226 CA ASP A 138 21.225 -49.497 127.596 1.00 16.11 C ATOM 1227 C ASP A 138 22.446 -49.446 128.523 1.00 14.61 C ATOM 1228 O ASP A 138 22.891 -48.345 128.874 1.00 14.10 O ATOM 1229 CB ASP A 138 20.001 -48.893 128.310 1.00 17.37 C ATOM 1230 CG ASP A 138 18.811 -48.573 127.361 1.00 19.38 C ATOM 1231 OD1 ASP A 138 18.949 -48.614 126.125 1.00 21.93 O ATOM 1232 OD2 ASP A 138 17.723 -48.234 127.884 1.00 21.03 O ATOM 1233 H ASP A 138 20.234 -51.434 127.545 1.00 0.00 H ATOM 1234 N CYS A 139 23.018 -50.574 128.924 1.00 15.35 N ATOM 1235 CA CYS A 139 24.148 -50.499 129.832 1.00 14.09 C ATOM 1236 C CYS A 139 25.360 -49.901 129.129 1.00 12.55 C ATOM 1237 O CYS A 139 25.565 -50.065 127.923 1.00 12.67 O ATOM 1238 CB CYS A 139 24.497 -51.841 130.475 1.00 16.15 C ATOM 1239 SG CYS A 139 23.502 -52.128 131.974 1.00 16.67 S ATOM 1240 H CYS A 139 22.664 -51.494 128.594 1.00 0.00 H ATOM 1241 N GLY A 140 26.141 -49.166 129.909 1.00 12.06 N ATOM 1242 CA GLY A 140 27.290 -48.435 129.433 1.00 11.24 C ATOM 1243 C GLY A 140 27.005 -46.984 129.122 1.00 10.49 C ATOM 1244 O GLY A 140 27.942 -46.199 128.948 1.00 11.46 O ATOM 1245 H GLY A 140 25.912 -49.114 130.922 1.00 0.00 H ATOM 1246 N ALA A 141 25.741 -46.597 129.045 1.00 10.13 N ATOM 1247 CA ALA A 141 25.417 -45.217 128.768 1.00 10.02 C ATOM 1248 C ALA A 141 25.954 -44.323 129.887 1.00 8.88 C ATOM 1249 O ALA A 141 25.853 -44.666 131.075 1.00 9.78 O ATOM 1250 CB ALA A 141 23.908 -45.039 128.659 1.00 11.20 C ATOM 1251 H ALA A 141 24.978 -47.290 129.185 1.00 0.00 H ATOM 1252 N PRO A 142 26.503 -43.170 129.558 1.00 8.45 N ATOM 1253 CA PRO A 142 27.155 -42.339 130.566 1.00 7.91 C ATOM 1254 C PRO A 142 26.159 -41.520 131.358 1.00 8.15 C ATOM 1255 O PRO A 142 25.144 -41.063 130.836 1.00 8.86 O ATOM 1256 CB PRO A 142 28.042 -41.424 129.726 1.00 9.35 C ATOM 1257 CG PRO A 142 27.244 -41.261 128.473 1.00 9.46 C ATOM 1258 CD PRO A 142 26.691 -42.620 128.206 1.00 9.48 C ATOM 1259 N TYR A 143 26.517 -41.280 132.615 1.00 7.78 N ATOM 1260 CA TYR A 143 25.810 -40.350 133.495 1.00 7.94 C ATOM 1261 C TYR A 143 26.613 -39.058 133.494 1.00 8.15 C ATOM 1262 O TYR A 143 27.799 -39.072 133.833 1.00 9.74 O ATOM 1263 CB TYR A 143 25.739 -40.902 134.919 1.00 8.97 C ATOM 1264 CG TYR A 143 24.745 -42.007 135.137 1.00 7.90 C ATOM 1265 CD1 TYR A 143 24.680 -43.112 134.321 1.00 8.58 C ATOM 1266 CD2 TYR A 143 23.866 -41.956 136.221 1.00 8.55 C ATOM 1267 CE1 TYR A 143 23.752 -44.115 134.554 1.00 8.32 C ATOM 1268 CE2 TYR A 143 22.960 -42.949 136.458 1.00 8.83 C ATOM 1269 CZ TYR A 143 22.896 -44.028 135.631 1.00 9.05 C ATOM 1270 OH TYR A 143 21.984 -45.012 135.898 1.00 10.71 O ATOM 1271 HH TYR A 143 22.058 -45.723 135.214 1.00 0.00 H ATOM 1272 H TYR A 143 27.346 -41.781 132.994 1.00 0.00 H ATOM 1273 N VAL A 144 25.991 -37.972 133.066 1.00 8.30 N ATOM 1274 CA VAL A 144 26.664 -36.690 132.937 1.00 9.28 C ATOM 1275 C VAL A 144 25.878 -35.613 133.669 1.00 9.57 C ATOM 1276 O VAL A 144 24.666 -35.727 133.893 1.00 10.55 O ATOM 1277 CB VAL A 144 26.868 -36.278 131.466 1.00 9.88 C ATOM 1278 CG1 VAL A 144 27.657 -37.317 130.701 1.00 10.15 C ATOM 1279 CG2 VAL A 144 25.538 -36.051 130.759 1.00 10.77 C ATOM 1280 H VAL A 144 24.984 -38.038 132.813 1.00 0.00 H ATOM 1281 N HIS A 145 26.571 -34.548 134.038 1.00 10.55 N ATOM 1282 CA HIS A 145 25.903 -33.384 134.588 1.00 11.48 C ATOM 1283 C HIS A 145 26.719 -32.162 134.221 1.00 12.33 C ATOM 1284 O HIS A 145 27.922 -32.253 133.951 1.00 12.93 O ATOM 1285 CB HIS A 145 25.673 -33.486 136.103 1.00 13.29 C ATOM 1286 CG HIS A 145 26.922 -33.599 136.923 1.00 13.83 C ATOM 1287 ND1 HIS A 145 27.462 -32.541 137.616 1.00 15.87 N ATOM 1288 CD2 HIS A 145 27.707 -34.664 137.197 1.00 14.77 C ATOM 1289 CE1 HIS A 145 28.545 -32.948 138.255 1.00 16.34 C ATOM 1290 NE2 HIS A 145 28.718 -34.231 138.017 1.00 15.96 N ATOM 1291 H HIS A 145 27.606 -34.546 133.933 1.00 0.00 H ATOM 1292 N LYS A 146 26.066 -31.015 134.213 1.00 15.36 N ATOM 1293 CA LYS A 146 26.728 -29.805 133.794 1.00 18.91 C ATOM 1294 C LYS A 146 27.115 -29.022 135.030 1.00 21.66 C ATOM 1295 O LYS A 146 26.260 -28.713 135.869 1.00 22.53 O ATOM 1296 CB LYS A 146 25.848 -28.957 132.879 1.00 21.01 C ATOM 1297 CG LYS A 146 26.639 -27.871 132.193 1.00 24.61 C ATOM 1298 CD LYS A 146 25.786 -27.052 131.274 1.00 28.01 C ATOM 1299 CE LYS A 146 26.648 -26.082 130.489 1.00 31.51 C ATOM 1300 NZ LYS A 146 25.859 -25.207 129.579 1.00 33.50 N ATOM 1301 HZ1 LYS A 146 25.343 -25.796 128.895 1.00 0.00 H ATOM 1302 HZ2 LYS A 146 25.183 -24.648 130.137 1.00 0.00 H ATOM 1303 HZ3 LYS A 146 26.503 -24.567 129.071 1.00 0.00 H ATOM 1304 H LYS A 146 25.070 -30.984 134.510 1.00 0.00 H ATOM 1305 N ARG A 147 28.402 -28.705 135.126 1.00 25.11 N ATOM 1306 CA ARG A 147 28.965 -27.931 136.221 1.00 28.47 C ATOM 1307 C ARG A 147 29.562 -26.668 135.613 1.00 30.09 C ATOM 1308 O ARG A 147 30.592 -26.724 134.932 1.00 30.26 O ATOM 1309 CB ARG A 147 30.023 -28.768 136.930 1.00 30.86 C ATOM 1310 CG ARG A 147 31.015 -27.966 137.751 1.00 32.86 C ATOM 1311 CD ARG A 147 32.193 -28.837 138.119 1.00 34.70 C ATOM 1312 NE ARG A 147 31.767 -29.957 138.940 1.00 35.02 N ATOM 1313 CZ ARG A 147 32.490 -31.051 139.147 1.00 34.23 C ATOM 1314 NH1 ARG A 147 33.685 -31.182 138.588 1.00 33.26 N ATOM 1315 NH2 ARG A 147 32.008 -32.013 139.915 1.00 35.20 N ATOM 1316 HE ARG A 147 30.834 -29.898 139.396 1.00 0.00 H ATOM 1317 HH12 ARG A 147 34.246 -32.042 138.755 1.00 0.00 H ATOM 1318 HH11 ARG A 147 34.062 -30.425 137.983 1.00 0.00 H ATOM 1319 HH22 ARG A 147 32.567 -32.874 140.083 1.00 0.00 H ATOM 1320 HH21 ARG A 147 31.070 -31.909 140.351 1.00 0.00 H ATOM 1321 H ARG A 147 29.044 -29.029 134.375 1.00 0.00 H ATOM 1322 N GLY A 148 28.914 -25.537 135.843 1.00 31.43 N ATOM 1323 CA GLY A 148 29.333 -24.327 135.159 1.00 31.86 C ATOM 1324 C GLY A 148 28.992 -24.452 133.692 1.00 32.50 C ATOM 1325 O GLY A 148 27.892 -24.878 133.323 1.00 33.58 O ATOM 1326 H GLY A 148 28.113 -25.515 136.506 1.00 0.00 H ATOM 1327 N ASN A 149 29.940 -24.097 132.837 1.00 32.53 N ATOM 1328 CA ASN A 149 29.764 -24.245 131.400 1.00 34.93 C ATOM 1329 C ASN A 149 30.250 -25.590 130.883 1.00 34.38 C ATOM 1330 O ASN A 149 30.216 -25.819 129.669 1.00 35.39 O ATOM 1331 CB ASN A 149 30.493 -23.117 130.666 1.00 37.07 C ATOM 1332 CG ASN A 149 29.769 -21.786 130.780 1.00 38.57 C ATOM 1333 OD1 ASN A 149 28.807 -21.647 131.539 1.00 39.18 O ATOM 1334 ND2 ASN A 149 30.231 -20.804 130.028 1.00 38.91 N ATOM 1335 HD22 ASN A 149 31.045 -20.967 129.402 1.00 0.00 H ATOM 1336 HD21 ASN A 149 29.780 -19.867 130.061 1.00 0.00 H ATOM 1337 H ASN A 149 30.831 -23.703 133.201 1.00 0.00 H ATOM 1338 N ASP A 150 30.693 -26.486 131.764 1.00 31.92 N ATOM 1339 CA ASP A 150 31.321 -27.730 131.351 1.00 30.33 C ATOM 1340 C ASP A 150 30.488 -28.924 131.775 1.00 25.73 C ATOM 1341 O ASP A 150 29.853 -28.930 132.835 1.00 27.09 O ATOM 1342 CB ASP A 150 32.691 -27.891 131.982 1.00 34.30 C ATOM 1343 CG ASP A 150 33.676 -26.866 131.497 1.00 38.03 C ATOM 1344 OD1 ASP A 150 33.688 -26.562 130.283 1.00 38.71 O ATOM 1345 OD2 ASP A 150 34.439 -26.367 132.342 1.00 40.27 O ATOM 1346 H ASP A 150 30.586 -26.289 132.780 1.00 0.00 H ATOM 1347 N TRP A 151 30.526 -29.951 130.950 1.00 21.62 N ATOM 1348 CA TRP A 151 29.893 -31.199 131.302 1.00 17.50 C ATOM 1349 C TRP A 151 30.924 -32.117 131.931 1.00 15.91 C ATOM 1350 O TRP A 151 32.090 -32.140 131.524 1.00 17.72 O ATOM 1351 CB TRP A 151 29.297 -31.848 130.058 1.00 18.41 C ATOM 1352 CG TRP A 151 28.118 -31.102 129.579 1.00 19.07 C ATOM 1353 CD1 TRP A 151 28.100 -30.021 128.742 1.00 21.65 C ATOM 1354 CD2 TRP A 151 26.766 -31.346 129.953 1.00 19.18 C ATOM 1355 NE1 TRP A 151 26.809 -29.598 128.559 1.00 22.19 N ATOM 1356 CE2 TRP A 151 25.969 -30.400 129.287 1.00 20.69 C ATOM 1357 CE3 TRP A 151 26.149 -32.298 130.763 1.00 18.52 C ATOM 1358 CZ2 TRP A 151 24.578 -30.372 129.413 1.00 20.90 C ATOM 1359 CZ3 TRP A 151 24.771 -32.264 130.895 1.00 20.78 C ATOM 1360 CH2 TRP A 151 24.001 -31.307 130.223 1.00 21.85 C ATOM 1361 HE1 TRP A 151 26.514 -28.798 127.964 1.00 0.00 H ATOM 1362 H TRP A 151 31.016 -29.861 130.037 1.00 0.00 H ATOM 1363 N VAL A 152 30.478 -32.858 132.926 1.00 13.49 N ATOM 1364 CA VAL A 152 31.254 -33.821 133.700 1.00 12.16 C ATOM 1365 C VAL A 152 30.612 -35.182 133.471 1.00 12.09 C ATOM 1366 O VAL A 152 29.381 -35.277 133.480 1.00 12.60 O ATOM 1367 CB VAL A 152 31.161 -33.443 135.200 1.00 11.79 C ATOM 1368 CG1 VAL A 152 31.908 -34.463 136.068 1.00 11.64 C ATOM 1369 CG2 VAL A 152 31.728 -32.065 135.421 1.00 12.79 C ATOM 1370 H VAL A 152 29.477 -32.745 133.184 1.00 0.00 H ATOM 1371 N VAL A 153 31.411 -36.232 133.339 1.00 10.45 N ATOM 1372 CA VAL A 153 30.888 -37.583 133.315 1.00 9.70 C ATOM 1373 C VAL A 153 31.267 -38.236 134.631 1.00 10.02 C ATOM 1374 O VAL A 153 32.385 -38.053 135.129 1.00 11.79 O ATOM 1375 CB VAL A 153 31.363 -38.384 132.076 1.00 10.28 C ATOM 1376 CG1 VAL A 153 32.861 -38.461 131.955 1.00 10.57 C ATOM 1377 CG2 VAL A 153 30.744 -39.778 132.069 1.00 9.74 C ATOM 1378 H VAL A 153 32.436 -36.082 133.251 1.00 0.00 H ATOM 1379 N CYS A 154 30.333 -38.969 135.224 1.00 10.79 N ATOM 1380 CA CYS A 154 30.580 -39.500 136.543 1.00 12.08 C ATOM 1381 C CYS A 154 30.219 -40.953 136.733 1.00 10.95 C ATOM 1382 O CYS A 154 30.458 -41.472 137.828 1.00 11.84 O ATOM 1383 CB CYS A 154 29.905 -38.647 137.612 1.00 15.46 C ATOM 1384 SG CYS A 154 28.172 -38.526 137.466 1.00 18.29 S ATOM 1385 H CYS A 154 29.431 -39.159 134.742 1.00 0.00 H ATOM 1386 N GLY A 155 29.769 -41.648 135.695 1.00 10.36 N ATOM 1387 CA GLY A 155 29.475 -43.054 135.812 1.00 10.25 C ATOM 1388 C GLY A 155 28.944 -43.600 134.508 1.00 8.73 C ATOM 1389 O GLY A 155 28.712 -42.864 133.544 1.00 8.82 O ATOM 1390 H GLY A 155 29.626 -41.170 134.783 1.00 0.00 H ATOM 1391 N VAL A 156 28.729 -44.903 134.504 1.00 9.18 N ATOM 1392 CA VAL A 156 28.188 -45.626 133.357 1.00 9.21 C ATOM 1393 C VAL A 156 27.038 -46.519 133.822 1.00 8.70 C ATOM 1394 O VAL A 156 27.091 -47.138 134.895 1.00 9.91 O ATOM 1395 CB VAL A 156 29.279 -46.449 132.640 1.00 10.53 C ATOM 1396 CG1 VAL A 156 30.237 -45.538 131.921 1.00 12.32 C ATOM 1397 CG2 VAL A 156 30.016 -47.326 133.622 1.00 11.23 C ATOM 1398 H VAL A 156 28.957 -45.443 135.363 1.00 0.00 H ATOM 1399 N HIS A 157 25.993 -46.597 133.019 1.00 8.51 N ATOM 1400 CA HIS A 157 24.793 -47.298 133.467 1.00 9.13 C ATOM 1401 C HIS A 157 25.072 -48.778 133.674 1.00 10.15 C ATOM 1402 O HIS A 157 25.555 -49.450 132.762 1.00 11.05 O ATOM 1403 CB HIS A 157 23.693 -47.114 132.430 1.00 9.33 C ATOM 1404 CG HIS A 157 22.364 -47.582 132.901 1.00 9.94 C ATOM 1405 ND1 HIS A 157 21.755 -47.095 134.038 1.00 10.84 N ATOM 1406 CD2 HIS A 157 21.528 -48.503 132.366 1.00 12.12 C ATOM 1407 CE1 HIS A 157 20.597 -47.713 134.184 1.00 11.91 C ATOM 1408 NE2 HIS A 157 20.441 -48.572 133.190 1.00 12.87 N ATOM 1409 H HIS A 157 26.024 -46.163 132.075 1.00 0.00 H ATOM 1410 N ALA A 158 24.725 -49.292 134.858 1.00 10.15 N ATOM 1411 CA ALA A 158 25.026 -50.671 135.186 1.00 12.01 C ATOM 1412 C ALA A 158 23.827 -51.497 135.599 1.00 12.89 C ATOM 1413 O ALA A 158 23.809 -52.703 135.346 1.00 15.19 O ATOM 1414 CB ALA A 158 26.068 -50.729 136.306 1.00 13.44 C ATOM 1415 H ALA A 158 24.233 -48.695 135.553 1.00 0.00 H ATOM 1416 N ALA A 159 22.823 -50.888 136.212 1.00 12.73 N ATOM 1417 CA ALA A 159 21.742 -51.669 136.789 1.00 13.56 C ATOM 1418 C ALA A 159 20.517 -50.789 136.956 1.00 13.58 C ATOM 1419 O ALA A 159 20.594 -49.570 137.018 1.00 12.93 O ATOM 1420 CB ALA A 159 22.152 -52.291 138.133 1.00 14.36 C ATOM 1421 H ALA A 159 22.808 -49.850 136.280 1.00 0.00 H ATOM 1422 N ALA A 160 19.374 -51.446 137.029 1.00 14.47 N ATOM 1423 CA ALA A 160 18.135 -50.738 137.321 1.00 16.19 C ATOM 1424 C ALA A 160 17.128 -51.781 137.751 1.00 18.67 C ATOM 1425 O ALA A 160 17.213 -52.938 137.332 1.00 20.36 O ATOM 1426 CB ALA A 160 17.619 -49.984 136.097 1.00 16.95 C ATOM 1427 H ALA A 160 19.358 -52.475 136.877 1.00 0.00 H ATOM 1428 N THR A 161 16.184 -51.366 138.591 1.00 19.49 N ATOM 1429 CA THR A 161 15.077 -52.232 138.957 1.00 21.68 C ATOM 1430 C THR A 161 14.211 -52.500 137.731 1.00 24.25 C ATOM 1431 O THR A 161 14.321 -51.828 136.697 1.00 25.36 O ATOM 1432 CB THR A 161 14.234 -51.574 140.041 1.00 21.78 C ATOM 1433 OG1 THR A 161 13.801 -50.289 139.583 1.00 21.55 O ATOM 1434 CG2 THR A 161 15.038 -51.434 141.326 1.00 23.08 C ATOM 1435 HG1 THR A 161 13.252 -49.857 140.285 1.00 0.00 H ATOM 1436 H THR A 161 16.239 -50.408 138.991 1.00 0.00 H ATOM 1437 N LYS A 162 13.329 -53.495 137.862 1.00 26.71 N ATOM 1438 CA LYS A 162 12.461 -53.870 136.749 1.00 28.14 C ATOM 1439 C LYS A 162 11.683 -52.669 136.224 1.00 28.80 C ATOM 1440 O LYS A 162 11.515 -52.507 135.009 1.00 29.82 O ATOM 1441 CB LYS A 162 11.509 -54.984 137.192 1.00 29.75 C ATOM 1442 H LYS A 162 13.260 -54.007 138.765 1.00 0.00 H ATOM 1443 N SER A 163 11.204 -51.809 137.131 1.00 27.21 N ATOM 1444 CA SER A 163 10.429 -50.634 136.753 1.00 25.71 C ATOM 1445 C SER A 163 11.283 -49.516 136.178 1.00 24.72 C ATOM 1446 O SER A 163 10.739 -48.582 135.573 1.00 26.53 O ATOM 1447 CB SER A 163 9.708 -50.075 137.983 1.00 24.88 C ATOM 1448 OG SER A 163 10.642 -49.609 138.945 1.00 24.96 O ATOM 1449 HG SER A 163 11.224 -50.358 139.228 1.00 0.00 H ATOM 1450 H SER A 163 11.391 -51.985 138.139 1.00 0.00 H ATOM 1451 N GLY A 164 12.597 -49.567 136.381 1.00 22.93 N ATOM 1452 CA GLY A 164 13.483 -48.473 136.050 1.00 22.03 C ATOM 1453 C GLY A 164 13.477 -47.322 137.033 1.00 20.33 C ATOM 1454 O GLY A 164 14.201 -46.346 136.808 1.00 22.91 O ATOM 1455 H GLY A 164 13.004 -50.430 136.795 1.00 0.00 H ATOM 1456 N ASN A 165 12.710 -47.402 138.127 1.00 18.18 N ATOM 1457 CA ASN A 165 12.613 -46.267 139.035 1.00 17.44 C ATOM 1458 C ASN A 165 13.882 -46.041 139.840 1.00 16.22 C ATOM 1459 O ASN A 165 14.130 -44.917 140.282 1.00 16.98 O ATOM 1460 CB ASN A 165 11.420 -46.445 139.966 1.00 20.03 C ATOM 1461 CG ASN A 165 10.117 -46.162 139.276 1.00 23.17 C ATOM 1462 OD1 ASN A 165 10.062 -45.324 138.374 1.00 25.79 O ATOM 1463 ND2 ASN A 165 9.064 -46.870 139.671 1.00 23.39 N ATOM 1464 HD22 ASN A 165 9.163 -47.566 140.438 1.00 0.00 H ATOM 1465 HD21 ASN A 165 8.141 -46.728 139.213 1.00 0.00 H ATOM 1466 H ASN A 165 12.183 -48.275 138.329 1.00 0.00 H ATOM 1467 N THR A 166 14.664 -47.085 140.077 1.00 15.15 N ATOM 1468 CA THR A 166 15.934 -46.967 140.776 1.00 15.40 C ATOM 1469 C THR A 166 17.011 -47.494 139.849 1.00 13.54 C ATOM 1470 O THR A 166 16.854 -48.548 139.236 1.00 14.92 O ATOM 1471 CB THR A 166 15.893 -47.727 142.101 1.00 19.88 C ATOM 1472 OG1 THR A 166 14.801 -47.231 142.883 1.00 23.48 O ATOM 1473 CG2 THR A 166 17.164 -47.514 142.900 1.00 21.24 C ATOM 1474 HG1 THR A 166 14.766 -47.718 143.744 1.00 0.00 H ATOM 1475 H THR A 166 14.358 -48.024 139.751 1.00 0.00 H ATOM 1476 N VAL A 167 18.063 -46.713 139.686 1.00 11.78 N ATOM 1477 CA VAL A 167 19.162 -47.047 138.788 1.00 11.18 C ATOM 1478 C VAL A 167 20.463 -47.052 139.571 1.00 11.21 C ATOM 1479 O VAL A 167 20.572 -46.501 140.663 1.00 12.15 O ATOM 1480 CB VAL A 167 19.260 -46.076 137.591 1.00 12.76 C ATOM 1481 CG1 VAL A 167 17.977 -46.105 136.774 1.00 14.45 C ATOM 1482 CG2 VAL A 167 19.554 -44.660 138.063 1.00 12.95 C ATOM 1483 H VAL A 167 18.110 -45.822 140.221 1.00 0.00 H ATOM 1484 N VAL A 168 21.478 -47.649 138.965 1.00 11.43 N ATOM 1485 CA VAL A 168 22.835 -47.605 139.500 1.00 11.81 C ATOM 1486 C VAL A 168 23.796 -47.381 138.343 1.00 11.11 C ATOM 1487 O VAL A 168 23.759 -48.105 137.342 1.00 11.61 O ATOM 1488 CB VAL A 168 23.231 -48.904 140.220 1.00 13.75 C ATOM 1489 CG1 VAL A 168 24.673 -48.823 140.704 1.00 15.60 C ATOM 1490 CG2 VAL A 168 22.316 -49.192 141.386 1.00 16.25 C ATOM 1491 H VAL A 168 21.302 -48.166 138.080 1.00 0.00 H ATOM 1492 N CYS A 169 24.674 -46.409 138.504 1.00 10.22 N ATOM 1493 CA CYS A 169 25.819 -46.296 137.615 1.00 10.08 C ATOM 1494 C CYS A 169 27.056 -46.830 138.315 1.00 10.80 C ATOM 1495 O CYS A 169 27.279 -46.565 139.500 1.00 12.81 O ATOM 1496 CB CYS A 169 26.097 -44.871 137.145 1.00 11.44 C ATOM 1497 SG CYS A 169 26.349 -43.650 138.400 1.00 12.89 S ATOM 1498 H CYS A 169 24.546 -45.719 139.272 1.00 0.00 H ATOM 1499 N ALA A 170 27.887 -47.533 137.566 1.00 10.69 N ATOM 1500 CA ALA A 170 29.209 -47.864 138.060 1.00 11.08 C ATOM 1501 C ALA A 170 30.062 -46.614 138.015 1.00 11.09 C ATOM 1502 O ALA A 170 29.957 -45.798 137.095 1.00 10.78 O ATOM 1503 CB ALA A 170 29.815 -48.976 137.215 1.00 13.11 C ATOM 1504 H ALA A 170 27.592 -47.849 136.620 1.00 0.00 H ATOM 1505 N VAL A 171 30.967 -46.498 138.992 1.00 12.03 N ATOM 1506 CA VAL A 171 31.826 -45.331 139.116 1.00 12.74 C ATOM 1507 C VAL A 171 33.258 -45.797 139.278 1.00 14.64 C ATOM 1508 O VAL A 171 33.519 -46.893 139.771 1.00 16.75 O ATOM 1509 CB VAL A 171 31.426 -44.409 140.278 1.00 13.19 C ATOM 1510 CG1 VAL A 171 29.991 -43.940 140.160 1.00 12.63 C ATOM 1511 CG2 VAL A 171 31.643 -45.111 141.588 1.00 15.81 C ATOM 1512 H VAL A 171 31.060 -47.267 139.686 1.00 0.00 H ATOM 1513 N GLN A 172 34.179 -44.952 138.845 1.00 15.69 N ATOM 1514 CA GLN A 172 35.597 -45.282 138.833 1.00 20.12 C ATOM 1515 C GLN A 172 36.223 -44.943 140.169 1.00 25.03 C ATOM 1516 O GLN A 172 36.187 -43.788 140.592 1.00 27.80 O ATOM 1517 CB GLN A 172 36.307 -44.476 137.754 1.00 22.98 C ATOM 1518 CG GLN A 172 37.792 -44.712 137.655 1.00 25.26 C ATOM 1519 CD GLN A 172 38.417 -43.820 136.609 1.00 27.39 C ATOM 1520 OE1 GLN A 172 38.471 -42.592 136.762 1.00 29.31 O ATOM 1521 NE2 GLN A 172 38.875 -44.427 135.528 1.00 25.76 N ATOM 1522 HE22 GLN A 172 38.808 -45.461 135.445 1.00 0.00 H ATOM 1523 HE21 GLN A 172 39.303 -43.870 134.761 1.00 0.00 H ATOM 1524 H GLN A 172 33.879 -44.018 138.501 1.00 0.00 H ATOM 1525 N ALA A 173 36.837 -45.932 140.804 1.00 27.97 N ATOM 1526 CA ALA A 173 37.504 -45.713 142.074 1.00 31.06 C ATOM 1527 C ALA A 173 38.910 -45.181 141.826 1.00 33.45 C ATOM 1528 O ALA A 173 39.535 -45.512 140.826 1.00 35.05 O ATOM 1529 CB ALA A 173 37.562 -47.006 142.860 1.00 32.20 C ATOM 1530 H ALA A 173 36.841 -46.883 140.384 1.00 0.00 H TER 1531 ALA A 173 HETATM 1532 O HOH 1 42.895 -33.575 119.409 1.00 26.14 O HETATM 1533 O HOH 2 32.736 -56.757 137.054 1.00 32.88 O HETATM 1534 O HOH 3 13.059 -48.390 144.020 1.00 35.90 O HETATM 1535 O HOH 4 9.811 -43.169 129.512 1.00 40.59 O HETATM 1536 O HOH 5 33.820 -52.144 145.798 1.00 33.46 O HETATM 1537 O HOH 6 21.472 -43.946 147.675 1.00 32.46 O HETATM 1538 O HOH 7 31.495 -58.164 134.424 1.00 47.42 O HETATM 1539 O HOH 8 14.792 -26.897 126.478 1.00 27.86 O HETATM 1540 O HOH 9 50.861 -52.721 120.630 1.00 34.85 O HETATM 1541 O HOH 10 37.468 -33.138 139.368 1.00 37.96 O HETATM 1542 O HOH 11 36.525 -55.712 119.270 1.00 39.22 O HETATM 1543 O HOH 12 41.353 -32.913 121.470 1.00 28.01 O HETATM 1544 O HOH 13 26.334 -30.266 138.242 1.00 31.50 O HETATM 1545 O HOH 14 47.310 -42.461 125.331 1.00 28.55 O HETATM 1546 O HOH 15 46.164 -50.801 133.067 1.00 40.92 O HETATM 1547 O HOH 16 26.240 -31.457 142.257 1.00 37.29 O HETATM 1548 O HOH 17 22.374 -48.921 114.725 1.00 19.81 O HETATM 1549 O HOH 18 23.295 -36.209 151.037 1.00 29.67 O HETATM 1550 O HOH 19 34.641 -31.464 131.846 1.00 21.96 O HETATM 1551 O HOH 20 21.957 -31.791 121.664 1.00 53.46 O HETATM 1552 O HOH 21 20.033 -58.528 134.067 1.00 44.68 O HETATM 1553 O HOH 22 42.038 -48.899 114.919 1.00 23.11 O HETATM 1554 O HOH 23 13.438 -33.087 130.767 1.00 25.24 O HETATM 1555 O HOH 24 14.761 -37.592 121.217 1.00 17.68 O HETATM 1556 O HOH 25 37.890 -58.194 126.574 1.00 29.79 O HETATM 1557 O HOH 26 40.753 -41.325 133.357 1.00 33.51 O HETATM 1558 O HOH 27 45.381 -54.487 127.121 1.00 38.13 O HETATM 1559 O HOH 28 20.257 -48.675 123.769 1.00 20.07 O HETATM 1560 O HOH 29 45.892 -40.728 126.948 1.00 25.19 O HETATM 1561 O HOH 30 27.936 -54.020 119.326 1.00 41.28 O HETATM 1562 O HOH 31 14.287 -38.684 126.906 1.00 29.76 O HETATM 1563 O HOH 32 33.010 -42.610 137.542 1.00 15.01 O HETATM 1564 O HOH 33 21.081 -39.336 148.796 1.00 17.38 O HETATM 1565 O HOH 34 32.686 -56.665 139.421 1.00 33.51 O HETATM 1566 O HOH 35 13.957 -44.052 116.648 1.00 15.14 O HETATM 1567 O HOH 36 33.107 -58.322 130.190 1.00 29.43 O HETATM 1568 O HOH 37 30.719 -35.636 139.309 1.00 19.62 O HETATM 1569 O HOH 38 23.599 -46.449 146.914 1.00 41.09 O HETATM 1570 O HOH 39 14.264 -35.310 143.100 1.00 21.88 O HETATM 1571 O HOH 40 35.206 -48.992 140.291 1.00 23.70 O HETATM 1572 O HOH 41 45.963 -58.297 119.495 1.00 23.71 O HETATM 1573 O HOH 42 22.165 -39.410 116.606 1.00 25.65 O HETATM 1574 O HOH 43 30.563 -42.438 118.642 1.00 16.89 O HETATM 1575 O HOH 44 48.247 -49.364 117.839 1.00 34.65 O HETATM 1576 O HOH 45 32.096 -34.649 142.451 1.00 30.28 O HETATM 1577 O HOH 46 33.845 -36.167 114.715 1.00 30.89 O HETATM 1578 O HOH 47 40.199 -31.376 117.638 1.00 26.22 O HETATM 1579 O HOH 48 32.456 -34.600 118.068 1.00 21.69 O HETATM 1580 O HOH 49 35.400 -55.793 140.301 1.00 32.57 O HETATM 1581 O HOH 50 38.579 -47.175 135.866 1.00 25.80 O HETATM 1582 O HOH 51 11.277 -43.203 121.751 1.00 38.18 O HETATM 1583 O HOH 52 23.289 -30.968 134.534 1.00 28.95 O HETATM 1584 O HOH 53 22.958 -31.086 137.272 1.00 49.86 O HETATM 1585 O HOH 54 33.866 -32.383 119.265 1.00 25.25 O HETATM 1586 O HOH 55 39.268 -63.341 118.887 1.00 42.77 O HETATM 1587 O HOH 56 27.122 -40.755 139.310 1.00 40.02 O HETATM 1588 O HOH 57 42.682 -38.194 128.285 1.00 35.59 O HETATM 1589 O HOH 58 45.722 -40.547 115.987 1.00 31.32 O HETATM 1590 O HOH 59 25.451 -35.891 118.201 1.00 21.58 O HETATM 1591 O HOH 60 23.424 -45.040 125.191 1.00 19.96 O HETATM 1592 O HOH 61 12.688 -38.816 121.231 1.00 49.00 O HETATM 1593 O HOH 62 40.995 -31.202 125.685 1.00 34.81 O HETATM 1594 O HOH 63 22.337 -56.161 124.815 1.00 47.45 O HETATM 1595 O HOH 64 17.919 -49.614 120.151 1.00 23.81 O HETATM 1596 O HOH 65 25.695 -50.810 149.454 1.00 44.17 O HETATM 1597 O HOH 66 18.774 -34.506 133.588 1.00 27.58 O HETATM 1598 O HOH 67 45.765 -47.734 120.814 1.00 17.07 O HETATM 1599 O HOH 68 25.864 -43.438 117.580 1.00 38.14 O HETATM 1600 O HOH 69 18.055 -35.646 131.149 1.00 23.37 O HETATM 1601 O HOH 70 47.952 -41.169 118.139 1.00 31.55 O HETATM 1602 O HOH 71 12.225 -49.377 141.796 1.00 28.96 O HETATM 1603 O HOH 72 39.274 -58.987 117.846 1.00 33.95 O HETATM 1604 O HOH 73 27.567 -40.573 148.327 1.00 25.24 O HETATM 1605 O HOH 74 43.063 -47.188 131.470 1.00 21.22 O HETATM 1606 O HOH 75 23.226 -31.721 145.307 1.00 35.33 O HETATM 1607 O HOH 76 22.955 -45.386 117.533 1.00 23.49 O HETATM 1608 O HOH 77 28.086 -38.426 146.742 1.00 25.55 O HETATM 1609 O HOH 78 34.702 -54.621 136.707 1.00 20.58 O HETATM 1610 O HOH 79 39.979 -35.938 129.748 1.00 26.79 O HETATM 1611 O HOH 80 29.862 -48.925 150.341 1.00 45.13 O HETATM 1612 O HOH 81 27.203 -35.376 148.575 1.00 21.42 O HETATM 1613 O HOH 82 27.548 -45.685 117.966 1.00 15.71 O HETATM 1614 O HOH 83 32.466 -29.899 128.805 1.00 35.14 O HETATM 1615 O HOH 84 39.620 -59.959 125.091 1.00 25.22 O HETATM 1616 O HOH 85 50.035 -47.772 119.080 1.00 51.47 O HETATM 1617 O HOH 86 15.163 -36.319 130.399 1.00 26.56 O HETATM 1618 O HOH 87 29.811 -58.268 124.891 1.00 37.95 O HETATM 1619 O HOH 88 32.007 -61.748 124.688 1.00 48.39 O HETATM 1620 O HOH 89 29.107 -40.590 117.331 1.00 38.08 O HETATM 1621 O HOH 90 19.578 -37.897 146.893 1.00 18.00 O HETATM 1622 O HOH 91 25.721 -33.260 148.255 1.00 24.23 O HETATM 1623 O HOH 92 39.491 -55.610 139.076 1.00 26.27 O HETATM 1624 O HOH 93 32.353 -59.079 140.651 1.00 38.12 O HETATM 1625 O HOH 94 32.799 -37.017 142.731 1.00 37.77 O HETATM 1626 O HOH 95 10.795 -52.261 140.171 1.00 34.91 O HETATM 1627 O HOH 96 35.649 -53.047 119.302 1.00 27.95 O HETATM 1628 O HOH 97 37.941 -38.309 115.033 1.00 22.13 O HETATM 1629 O HOH 98 16.214 -47.861 117.438 1.00 19.36 O HETATM 1630 O HOH 99 51.352 -48.986 122.391 1.00 44.67 O HETATM 1631 O HOH 100 21.939 -30.966 140.060 1.00 32.51 O HETATM 1632 O HOH 101 12.003 -37.104 128.031 1.00 26.55 O HETATM 1633 O HOH 102 24.274 -55.611 128.367 1.00 39.07 O HETATM 1634 O HOH 103 12.191 -42.852 141.276 1.00 20.30 O HETATM 1635 O HOH 104 37.483 -65.968 121.339 1.00 45.90 O HETATM 1636 O HOH 105 39.044 -36.931 133.237 1.00 30.79 O HETATM 1637 O HOH 106 9.459 -48.779 141.941 1.00 27.94 O HETATM 1638 O HOH 107 21.665 -32.771 133.463 1.00 47.96 O HETATM 1639 O HOH 108 16.854 -37.637 119.118 1.00 20.08 O HETATM 1640 O HOH 109 27.631 -29.526 119.879 1.00 34.16 O HETATM 1641 O HOH 110 22.031 -57.377 130.980 1.00 39.32 O HETATM 1642 O HOH 111 26.109 -27.132 126.918 1.00 36.05 O HETATM 1643 O HOH 112 35.762 -37.907 142.187 1.00 31.36 O HETATM 1644 O HOH 113 20.519 -34.080 128.396 1.00 31.09 O HETATM 1645 O HOH 114 39.253 -32.047 131.139 1.00 41.96 O HETATM 1646 O HOH 115 43.815 -37.620 124.613 1.00 29.09 O HETATM 1647 O HOH 116 32.020 -53.414 119.935 1.00 32.71 O HETATM 1648 O HOH 117 47.604 -53.784 128.767 1.00 52.78 O HETATM 1649 O HOH 118 39.100 -46.747 115.176 1.00 30.66 O HETATM 1650 O HOH 119 24.890 -38.768 117.951 1.00 27.71 O HETATM 1651 O HOH 120 44.885 -51.068 135.718 1.00 50.04 O HETATM 1652 O HOH 121 13.444 -55.027 140.675 1.00 34.55 O HETATM 1653 O HOH 122 37.464 -38.799 140.901 1.00 33.82 O HETATM 1654 O HOH 123 34.361 -32.056 122.103 1.00 23.60 O HETATM 1655 O HOH 124 12.866 -33.506 141.999 1.00 32.92 O HETATM 1656 O HOH 125 40.902 -38.362 129.604 1.00 46.35 O HETATM 1657 O HOH 126 52.713 -53.293 125.629 1.00 23.84 O HETATM 1658 O HOH 127 28.419 -32.871 117.198 1.00 23.71 O HETATM 1659 O HOH 128 32.566 -59.408 132.741 1.00 52.92 O HETATM 1660 O HOH 129 29.088 -31.146 141.328 1.00 31.47 O HETATM 1661 O HOH 130 36.004 -39.439 144.758 1.00 32.77 O HETATM 1662 O HOH 131 37.275 -56.151 136.840 1.00 33.44 O HETATM 1663 O HOH 132 52.566 -47.022 123.053 1.00 44.15 O HETATM 1664 O HOH 133 36.227 -54.980 142.314 1.00 27.06 O HETATM 1665 O HOH 134 42.183 -50.467 112.655 1.00 32.26 O HETATM 1666 O HOH 135 35.126 -52.534 143.284 1.00 24.41 O HETATM 1667 O HOH 136 29.027 -58.339 122.438 1.00 37.45 O HETATM 1668 O HOH 137 24.022 -48.539 116.841 1.00 27.47 O HETATM 1669 O HOH 138 36.190 -49.478 145.169 1.00 47.66 O HETATM 1670 O HOH 139 12.436 -31.516 143.687 1.00 47.46 O HETATM 1671 O HOH 140 6.268 -49.195 138.730 1.00 43.64 O HETATM 1672 O HOH 141 37.054 -50.517 114.069 1.00 28.39 O HETATM 1673 O HOH 142 35.824 -57.524 130.630 1.00 37.66 O HETATM 1674 O HOH 143 35.060 -29.745 133.940 1.00 62.62 O HETATM 1675 O HOH 144 31.308 -36.739 115.525 1.00 30.94 O HETATM 1676 O HOH 145 42.626 -34.916 126.288 1.00 38.20 O HETATM 1677 O HOH 146 32.085 -32.259 127.356 1.00 34.33 O HETATM 1678 O HOH 147 26.471 -34.558 116.144 1.00 20.61 O HETATM 1679 O HOH 148 21.715 -33.230 120.013 1.00 35.14 O HETATM 1680 O HOH 149 48.779 -44.204 126.743 1.00 35.42 O HETATM 1681 O HOH 150 19.642 -52.333 114.030 1.00 43.38 O HETATM 1682 O HOH 151 42.567 -33.514 123.804 1.00 48.55 O HETATM 1683 O HOH 152 23.657 -43.868 115.469 1.00 26.50 O HETATM 1684 O HOH 153 52.071 -53.178 118.473 1.00 32.69 O HETATM 1685 O HOH 154 19.445 -50.724 122.299 1.00 33.03 O HETATM 1686 O HOH 155 45.072 -47.817 133.446 1.00 42.18 O HETATM 1687 O HOH 156 27.719 -30.091 116.935 1.00 29.64 O HETATM 1688 O HOH 157 22.343 -34.198 150.486 1.00 42.25 O HETATM 1689 O HOH 158 19.961 -26.227 125.334 1.00 49.48 O HETATM 1690 O HOH 159 40.194 -39.237 131.800 1.00 35.89 O HETATM 1691 O HOH 160 36.288 -50.207 142.653 1.00 24.76 O HETATM 1692 O HOH 161 30.844 -33.191 116.231 1.00 29.20 O HETATM 1693 O HOH 162 26.471 -47.261 116.144 1.00 18.32 O HETATM 1694 O HOH 163 22.917 -34.872 117.942 1.00 25.66 O HETATM 1695 O HOH 164 27.047 -30.998 147.571 1.00 26.12 O HETATM 1696 O HOH 165 26.964 -30.090 144.845 1.00 32.05 O HETATM 1697 C30 UNN A 166 18.581 -55.131 140.242 1.00 0.12 C HETATM 1698 O39 UNN A 166 17.950 -54.084 140.906 1.00 -0.56 O HETATM 1699 O31 UNN A 166 19.081 -56.037 140.820 1.00 -0.56 O HETATM 1700 N29 UNN A 166 18.619 -55.077 138.804 1.00 -0.29 N HETATM 1701 C22 UNN A 166 19.428 -56.071 138.139 1.00 0.13 C HETATM 1702 C02 UNN A 166 20.251 -55.395 137.048 1.00 0.20 C HETATM 1703 O01 UNN A 166 20.058 -54.278 136.680 1.00 -0.39 O HETATM 1704 N03 UNN A 166 21.319 -56.188 136.513 1.00 -0.26 N HETATM 1705 C04 UNN A 166 22.183 -55.627 135.502 1.00 0.13 C HETATM 1706 C09 UNN A 166 21.396 -55.260 134.256 1.00 0.20 C HETATM 1707 N10 UNN A 166 21.860 -54.068 133.609 1.00 -0.28 N HETATM 1708 C11 UNN A 166 21.212 -53.577 132.413 1.00 0.07 C HETATM 1709 C12 UNN A 166 20.461 -52.301 132.774 1.00 -0.01 C HETATM 1710 C13 UNN A 166 19.360 -52.540 133.800 1.00 0.04 C HETATM 1711 C14 UNN A 166 18.063 -53.112 133.240 1.00 0.18 C HETATM 1712 N15 UNN A 166 17.006 -53.282 134.198 1.00 -0.28 N HETATM 1713 C16 UNN A 166 15.713 -53.797 133.778 1.00 0.06 C HETATM 1714 C17 UNN A 166 15.673 -55.315 133.757 1.00 0.10 C HETATM 1715 N26 UNN A 166 16.105 -55.831 135.039 1.00 -0.18 N HETATM 1716 C25 UNN A 166 17.346 -56.207 135.405 1.00 0.07 C HETATM 1717 C24 UNN A 166 17.384 -56.675 136.760 1.00 0.04 C HETATM 1718 C23 UNN A 166 18.538 -57.191 137.598 1.00 0.02 C HETATM 1719 H7 UNN A 166 18.129 -57.756 138.448 1.00 0.04 H HETATM 1720 H8 UNN A 166 19.153 -57.858 136.976 1.00 0.04 H HETATM 1721 N28 UNN A 166 16.115 -56.537 137.106 1.00 -0.23 N HETATM 1722 N27 UNN A 166 15.378 -56.045 136.111 1.00 -0.10 N HETATM 1723 H9 UNN A 166 18.215 -56.161 134.751 1.00 0.09 H HETATM 1724 H4 UNN A 166 16.343 -55.688 132.968 1.00 0.07 H HETATM 1725 H5 UNN A 166 14.645 -55.651 133.555 1.00 0.07 H HETATM 1726 H2 UNN A 166 15.496 -53.424 132.766 1.00 0.06 H HETATM 1727 H3 UNN A 166 14.944 -53.433 134.476 1.00 0.06 H HETATM 1728 H1 UNN A 166 17.160 -53.045 135.157 1.00 0.19 H HETATM 1729 O18 UNN A 166 17.886 -53.414 132.093 1.00 -0.40 O HETATM 1730 H15 UNN A 166 19.128 -51.578 134.280 1.00 0.05 H HETATM 1731 H16 UNN A 166 19.744 -53.243 134.554 1.00 0.05 H HETATM 1732 H13 UNN A 166 20.008 -51.888 131.861 1.00 0.03 H HETATM 1733 H14 UNN A 166 21.177 -51.576 133.188 1.00 0.03 H HETATM 1734 C19 UNN A 166 22.275 -53.323 131.350 1.00 0.07 C HETATM 1735 O20 UNN A 166 22.921 -54.494 130.961 1.00 -0.39 O HETATM 1736 H19 UNN A 166 23.345 -54.886 131.715 1.00 0.21 H HETATM 1737 H17 UNN A 166 23.022 -52.625 131.756 1.00 0.06 H HETATM 1738 H18 UNN A 166 21.794 -52.874 130.468 1.00 0.06 H HETATM 1739 H12 UNN A 166 20.498 -54.326 132.039 1.00 0.06 H HETATM 1740 H11 UNN A 166 22.640 -53.571 133.989 1.00 0.19 H HETATM 1741 O21 UNN A 166 20.476 -55.899 133.846 1.00 -0.39 O HETATM 1742 C05 UNN A 166 23.297 -56.583 135.114 1.00 -0.01 C HETATM 1743 C06 UNN A 166 24.182 -56.960 136.288 1.00 -0.04 C HETATM 1744 C07 UNN A 166 25.211 -57.990 135.825 1.00 -0.06 C HETATM 1745 H25 UNN A 166 25.857 -58.269 136.671 1.00 0.02 H HETATM 1746 H26 UNN A 166 25.825 -57.559 135.021 1.00 0.02 H HETATM 1747 H27 UNN A 166 24.692 -58.884 135.450 1.00 0.02 H HETATM 1748 C08 UNN A 166 24.852 -55.747 136.934 1.00 -0.06 C HETATM 1749 H28 UNN A 166 24.082 -55.030 137.254 1.00 0.02 H HETATM 1750 H29 UNN A 166 25.521 -55.266 136.205 1.00 0.02 H HETATM 1751 H30 UNN A 166 25.435 -56.072 137.808 1.00 0.02 H HETATM 1752 H24 UNN A 166 23.547 -57.431 137.053 1.00 0.03 H HETATM 1753 H22 UNN A 166 23.919 -56.104 134.344 1.00 0.03 H HETATM 1754 H23 UNN A 166 22.847 -57.499 134.704 1.00 0.03 H HETATM 1755 H21 UNN A 166 22.637 -54.713 135.912 1.00 0.08 H HETATM 1756 H20 UNN A 166 21.464 -57.123 136.838 1.00 0.19 H HETATM 1757 H6 UNN A 166 20.122 -56.510 138.871 1.00 0.08 H HETATM 1758 H10 UNN A 166 18.110 -54.385 138.291 1.00 0.17 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1182 1183 1187 1188 1189 CONECT 1187 1182 CONECT 1188 1182 CONECT 1189 1182 CONECT 1697 1698 1699 1700 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 1701 1758 CONECT 1701 1700 1702 1718 1757 CONECT 1702 1701 1703 1704 CONECT 1703 1702 CONECT 1704 1702 1705 1756 CONECT 1705 1704 1706 1742 1755 CONECT 1706 1705 1707 1741 CONECT 1707 1706 1708 1740 CONECT 1708 1707 1709 1734 1739 CONECT 1709 1708 1710 1732 1733 CONECT 1710 1709 1711 1730 1731 CONECT 1711 1710 1712 1729 CONECT 1712 1711 1713 1728 CONECT 1713 1712 1714 1726 1727 CONECT 1714 1713 1715 1724 1725 CONECT 1715 1714 1716 1722 CONECT 1716 1715 1717 1723 CONECT 1717 1716 1718 1721 CONECT 1718 1701 1717 1719 1720 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1717 1722 CONECT 1722 1715 1721 CONECT 1723 1716 CONECT 1724 1714 CONECT 1725 1714 CONECT 1726 1713 CONECT 1727 1713 CONECT 1728 1712 CONECT 1729 1711 CONECT 1730 1710 CONECT 1731 1710 CONECT 1732 1709 CONECT 1733 1709 CONECT 1734 1708 1735 1737 1738 CONECT 1735 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1734 CONECT 1739 1708 CONECT 1740 1707 CONECT 1741 1706 CONECT 1742 1705 1743 1753 1754 CONECT 1743 1742 1744 1748 1752 CONECT 1744 1743 1745 1746 1747 CONECT 1745 1744 CONECT 1746 1744 CONECT 1747 1744 CONECT 1748 1743 1749 1750 1751 CONECT 1749 1748 CONECT 1750 1748 CONECT 1751 1748 CONECT 1752 1743 CONECT 1753 1742 CONECT 1754 1742 CONECT 1755 1705 CONECT 1756 1704 CONECT 1757 1701 CONECT 1758 1700 MASTER 0 0 0 0 0 0 0 0 1756 2 70 15 END
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Structure:
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Related entries of code: 5e0g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3ur9
RCSB PDB
PDBbind
188aa, >3UR9_1|Chains... *
4imq
RCSB PDB
PDBbind
183aa, >4IMQ_1|Chain... at 98%
4imz
RCSB PDB
PDBbind
183aa, >4IMZ_1|Chain... at 98%
4inh
RCSB PDB
PDBbind
185aa, >4INH_1|Chains... at 97%
4xbb
RCSB PDB
PDBbind
188aa, >4XBB_1|Chain... at 100%
4xbd
RCSB PDB
PDBbind
188aa, >4XBD_1|Chains... at 100%
5dg6
RCSB PDB
PDBbind
188aa, >5DG6_1|Chains... at 98%
5dgj
RCSB PDB
PDBbind
188aa, >5DGJ_1|Chain... at 98%
5e0h
RCSB PDB
PDBbind
188aa, >5E0H_1|Chains... at 98%
5e0j
RCSB PDB
PDBbind
188aa, >5E0J_1|Chain... at 98%
5t6f
RCSB PDB
PDBbind
188aa, >5T6F_1|Chains... at 98%
5t6g
RCSB PDB
PDBbind
188aa, >5T6G_1|Chains... at 98%
5tg1
RCSB PDB
PDBbind
188aa, >5TG1_1|Chain... at 98%
5tg2
RCSB PDB
PDBbind
188aa, >5TG2_1|Chain... at 98%
5wej
RCSB PDB
PDBbind
188aa, >5WEJ_1|Chains... at 98%
6bid
RCSB PDB
PDBbind
188aa, >6BID_1|Chain... at 98%
6bic
RCSB PDB
PDBbind
188aa, >6BIC_1|Chains... at 98%
6bib
RCSB PDB
PDBbind
188aa, >6BIB_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5e0g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Norovirus 3C-like protease
Ligand Name
5LG
EC.Number
E.C.3.4.22.66
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
IC50=1.6uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Eur.J.Med.Chem. Vol. 119: pp. 300-318
Ligand Properties
Formula
C
1
9
H
3
1
N
7
O
6
Molecular Weight
453.493
Exact Mass
453.234
No. of atoms
63
No. of bonds
64
Polar Surface Area
187.57
LOGP Value
-0.24 (
Computed with XLOGP3
)
-0.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 2
Canonical SMILES
OC[C@@H]1CCC(=O)NCCn2nnc(C[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)NC(=O)O)c2
InChI String
InChI=1S/C19H31N7O6/c1-11(2)7-14-17(29)21-12(10-27)3-4-16(28)20-5-6-26-9-13(24-25-26)8-15(18(30)22-14)23-19(31)32/h9,11-12,14-15,23,27H,3-8,10H2,1-2H3,(H,20,28)(H,21,29)(H,22,30)(H,31,32)/t12-,14-,15-/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):
Q83883
Entrez Gene ID
NCBI Entrez Gene ID:
1491970
ASD
Information of known allosteric effects of PDB entries
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