Browse entries in the PDBbind-CN Database
HEADER 5GP7_COMPLEX COMPND 5GP7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 GLY PRO GLY SER ASP LEU LEU ARG GLY ASP ALA ALA LEU SEQRES 2 A 163 LEU ASP ALA ALA LYS LYS GLY CYS LEU ALA ARG VAL GLN SEQRES 3 A 163 LYS LEU CYS THR PRO GLU ASN ILE ASN CYS ARG ASP THR SEQRES 4 A 163 GLN GLY ARG ASN SER THR PRO LEU HIS LEU ALA ALA GLY SEQRES 5 A 163 TYR ASN ASN LEU GLU VAL ALA GLU TYR LEU LEU GLU HIS SEQRES 6 A 163 GLY ALA ASP VAL ASN ALA GLN ASP LYS GLY GLY LEU ILE SEQRES 7 A 163 PRO LEU HIS ASN ALA ALA SER TYR GLY HIS VAL ASP ILE SEQRES 8 A 163 ALA ALA LEU LEU ILE LYS TYR ASN THR CYS VAL ASN ALA SEQRES 9 A 163 THR ASP LYS TRP ALA PHE THR PRO LEU HIS GLU ALA ALA SEQRES 10 A 163 GLN LYS GLY ARG THR GLN LEU CYS ALA LEU LEU LEU ALA SEQRES 11 A 163 HIS GLY ALA ASP PRO THR MET LYS ASN GLN GLU GLY GLN SEQRES 12 A 163 THR PRO LEU ASP LEU ALA THR ALA ASP ASP ILE ARG ALA SEQRES 13 A 163 LEU LEU ILE ASP ALA MET PRO HET SER A 409 139 ATOM 1 N GLY A 795 -2.041 27.127 48.220 1.00 28.81 N ATOM 2 CA GLY A 795 -1.904 25.768 47.727 1.00 26.58 C ATOM 3 C GLY A 795 -0.502 25.512 47.215 1.00 25.47 C ATOM 4 O GLY A 795 0.326 26.425 47.227 1.00 24.01 O ATOM 5 HN3 GLY A 795 -1.841 27.796 47.449 1.00 0.00 H ATOM 6 HN2 GLY A 795 -1.369 27.282 48.998 1.00 0.00 H ATOM 7 HN1 GLY A 795 -3.011 27.273 48.564 1.00 0.00 H ATOM 8 N PRO A 796 -0.240 24.286 46.752 1.00 28.70 N ATOM 9 CA PRO A 796 1.109 23.974 46.253 1.00 26.93 C ATOM 10 C PRO A 796 1.551 24.890 45.131 1.00 26.46 C ATOM 11 O PRO A 796 2.745 25.204 45.031 1.00 24.23 O ATOM 12 CB PRO A 796 0.982 22.517 45.780 1.00 31.07 C ATOM 13 CG PRO A 796 -0.478 22.343 45.482 1.00 31.32 C ATOM 14 CD PRO A 796 -1.185 23.180 46.518 1.00 31.60 C ATOM 15 N GLY A 797 0.619 25.345 44.292 1.00 20.30 N ATOM 16 CA GLY A 797 0.992 26.218 43.192 1.00 22.08 C ATOM 17 C GLY A 797 1.512 27.560 43.665 1.00 20.47 C ATOM 18 O GLY A 797 2.583 28.011 43.236 1.00 16.05 O ATOM 19 H GLY A 797 -0.376 25.074 44.425 1.00 0.00 H ATOM 20 N SER A 798 0.755 28.233 44.538 1.00 17.69 N ATOM 21 CA SER A 798 1.223 29.523 45.030 1.00 18.35 C ATOM 22 C SER A 798 2.452 29.371 45.920 1.00 17.71 C ATOM 23 O SER A 798 3.299 30.269 45.945 1.00 19.04 O ATOM 24 CB SER A 798 0.094 30.269 45.757 1.00 21.35 C ATOM 25 OG SER A 798 -0.431 29.520 46.837 1.00 25.79 O ATOM 26 HG SER A 798 -1.153 30.037 47.275 1.00 0.00 H ATOM 27 H SER A 798 -0.153 27.842 44.861 1.00 0.00 H ATOM 28 N ASP A 799 2.580 28.238 46.625 1.00 18.31 N ATOM 29 CA ASP A 799 3.802 27.955 47.377 1.00 22.73 C ATOM 30 C ASP A 799 5.013 27.952 46.455 1.00 16.85 C ATOM 31 O ASP A 799 6.043 28.569 46.759 1.00 20.14 O ATOM 32 CB ASP A 799 3.705 26.601 48.093 1.00 21.22 C ATOM 33 CG ASP A 799 2.756 26.611 49.286 1.00 27.55 C ATOM 34 OD1 ASP A 799 2.393 27.699 49.773 1.00 30.14 O ATOM 35 OD2 ASP A 799 2.398 25.501 49.746 1.00 29.29 O ATOM 36 H ASP A 799 1.800 27.551 46.637 1.00 0.00 H ATOM 37 N LEU A 800 4.914 27.244 45.328 1.00 18.98 N ATOM 38 CA LEU A 800 6.033 27.191 44.392 1.00 17.75 C ATOM 39 C LEU A 800 6.337 28.566 43.820 1.00 21.86 C ATOM 40 O LEU A 800 7.507 28.930 43.646 1.00 21.18 O ATOM 41 CB LEU A 800 5.731 26.202 43.264 1.00 21.69 C ATOM 42 CG LEU A 800 5.823 24.727 43.641 1.00 22.95 C ATOM 43 CD1 LEU A 800 5.217 23.850 42.548 1.00 29.81 C ATOM 44 CD2 LEU A 800 7.271 24.336 43.906 1.00 23.42 C ATOM 45 H LEU A 800 4.036 26.728 45.116 1.00 0.00 H ATOM 46 N LEU A 801 5.296 29.350 43.534 1.00 18.34 N ATOM 47 CA LEU A 801 5.499 30.705 43.027 1.00 21.01 C ATOM 48 C LEU A 801 6.237 31.563 44.046 1.00 16.51 C ATOM 49 O LEU A 801 7.198 32.268 43.704 1.00 20.51 O ATOM 50 CB LEU A 801 4.156 31.341 42.670 1.00 24.49 C ATOM 51 CG LEU A 801 3.372 30.805 41.472 1.00 28.44 C ATOM 52 CD1 LEU A 801 2.056 31.562 41.348 1.00 26.92 C ATOM 53 CD2 LEU A 801 4.191 30.952 40.209 1.00 30.58 C ATOM 54 H LEU A 801 4.329 28.993 43.674 1.00 0.00 H ATOM 55 N ARG A 802 5.791 31.536 45.302 1.00 16.43 N ATOM 56 CA ARG A 802 6.473 32.308 46.335 1.00 14.84 C ATOM 57 C ARG A 802 7.923 31.863 46.477 1.00 16.51 C ATOM 58 O ARG A 802 8.822 32.703 46.631 1.00 15.09 O ATOM 59 CB ARG A 802 5.742 32.175 47.674 1.00 20.44 C ATOM 60 CG ARG A 802 4.576 33.147 47.856 1.00 28.95 C ATOM 61 CD ARG A 802 3.853 32.940 49.186 1.00 30.92 C ATOM 62 NE ARG A 802 3.177 31.647 49.258 1.00 27.87 N ATOM 63 CZ ARG A 802 1.918 31.440 48.884 1.00 29.45 C ATOM 64 NH1 ARG A 802 1.190 32.441 48.412 1.00 26.90 N ATOM 65 NH2 ARG A 802 1.387 30.230 48.980 1.00 25.10 N ATOM 66 HE ARG A 802 3.715 30.836 49.625 1.00 0.00 H ATOM 67 HH12 ARG A 802 0.206 32.276 48.120 1.00 0.00 H ATOM 68 HH11 ARG A 802 1.603 33.392 48.333 1.00 0.00 H ATOM 69 HH22 ARG A 802 0.402 30.070 48.687 1.00 0.00 H ATOM 70 HH21 ARG A 802 1.955 29.441 49.348 1.00 0.00 H ATOM 71 H ARG A 802 4.957 30.965 45.545 1.00 0.00 H ATOM 72 N GLY A 803 8.167 30.550 46.419 1.00 16.55 N ATOM 73 CA GLY A 803 9.518 30.042 46.610 1.00 15.80 C ATOM 74 C GLY A 803 10.458 30.446 45.488 1.00 15.95 C ATOM 75 O GLY A 803 11.595 30.865 45.741 1.00 15.71 O ATOM 76 H GLY A 803 7.387 29.887 46.236 1.00 0.00 H ATOM 77 N ASP A 804 10.007 30.303 44.235 1.00 14.78 N ATOM 78 CA ASP A 804 10.798 30.749 43.086 1.00 13.48 C ATOM 79 C ASP A 804 11.199 32.215 43.228 1.00 15.85 C ATOM 80 O ASP A 804 12.371 32.578 43.064 1.00 15.77 O ATOM 81 CB ASP A 804 10.008 30.567 41.779 1.00 16.95 C ATOM 82 CG ASP A 804 9.853 29.114 41.351 1.00 23.30 C ATOM 83 OD1 ASP A 804 10.440 28.211 41.972 1.00 21.30 O ATOM 84 OD2 ASP A 804 9.116 28.881 40.365 1.00 29.13 O ATOM 85 H ASP A 804 9.077 29.867 44.075 1.00 0.00 H ATOM 86 N ALA A 805 10.225 33.080 43.513 1.00 14.30 N ATOM 87 CA ALA A 805 10.504 34.511 43.579 1.00 13.27 C ATOM 88 C ALA A 805 11.482 34.831 44.702 1.00 13.03 C ATOM 89 O ALA A 805 12.367 35.688 44.550 1.00 13.94 O ATOM 90 CB ALA A 805 9.203 35.294 43.763 1.00 15.73 C ATOM 91 H ALA A 805 9.261 32.733 43.689 1.00 0.00 H ATOM 92 N ALA A 806 11.325 34.164 45.850 1.00 13.79 N ATOM 93 CA ALA A 806 12.222 34.410 46.967 1.00 12.58 C ATOM 94 C ALA A 806 13.629 33.910 46.666 1.00 13.74 C ATOM 95 O ALA A 806 14.611 34.534 47.084 1.00 11.94 O ATOM 96 CB ALA A 806 11.669 33.761 48.242 1.00 14.91 C ATOM 97 H ALA A 806 10.559 33.467 45.944 1.00 0.00 H ATOM 98 N LEU A 807 13.755 32.794 45.946 1.00 14.57 N ATOM 99 CA LEU A 807 15.089 32.310 45.606 1.00 9.85 C ATOM 100 C LEU A 807 15.785 33.268 44.644 1.00 11.09 C ATOM 101 O LEU A 807 16.971 33.585 44.822 1.00 12.04 O ATOM 102 CB LEU A 807 15.012 30.909 45.007 1.00 11.49 C ATOM 103 CG LEU A 807 16.318 30.331 44.426 1.00 11.94 C ATOM 104 CD1 LEU A 807 17.427 30.209 45.503 1.00 11.11 C ATOM 105 CD2 LEU A 807 16.099 28.985 43.714 1.00 12.58 C ATOM 106 H LEU A 807 12.911 32.274 45.630 1.00 0.00 H ATOM 107 N LEU A 808 15.058 33.759 43.632 1.00 10.11 N ATOM 108 CA LEU A 808 15.666 34.711 42.703 1.00 10.60 C ATOM 109 C LEU A 808 16.105 35.966 43.438 1.00 12.17 C ATOM 110 O LEU A 808 17.211 36.468 43.216 1.00 11.37 O ATOM 111 CB LEU A 808 14.690 35.068 41.579 1.00 11.60 C ATOM 112 CG LEU A 808 14.387 33.932 40.603 1.00 10.29 C ATOM 113 CD1 LEU A 808 13.044 34.160 39.933 1.00 12.05 C ATOM 114 CD2 LEU A 808 15.482 33.831 39.557 1.00 11.95 C ATOM 115 H LEU A 808 14.068 33.465 43.508 1.00 0.00 H ATOM 116 N ASP A 809 15.254 36.478 44.339 1.00 12.11 N ATOM 117 CA ASP A 809 15.625 37.680 45.077 1.00 12.32 C ATOM 118 C ASP A 809 16.864 37.442 45.935 1.00 10.60 C ATOM 119 O ASP A 809 17.757 38.297 46.006 1.00 11.82 O ATOM 120 CB ASP A 809 14.453 38.145 45.943 1.00 15.02 C ATOM 121 CG ASP A 809 14.849 39.242 46.904 1.00 18.01 C ATOM 122 OD1 ASP A 809 15.022 40.388 46.443 1.00 19.33 O ATOM 123 OD2 ASP A 809 15.003 38.953 48.115 1.00 21.57 O ATOM 124 H ASP A 809 14.336 36.021 44.510 1.00 0.00 H ATOM 125 N ALA A 810 16.932 36.284 46.603 1.00 11.44 N ATOM 126 CA ALA A 810 18.076 35.986 47.451 1.00 10.26 C ATOM 127 C ALA A 810 19.354 35.866 46.640 1.00 10.53 C ATOM 128 O ALA A 810 20.436 36.249 47.105 1.00 10.16 O ATOM 129 CB ALA A 810 17.820 34.695 48.235 1.00 10.85 C ATOM 130 H ALA A 810 16.161 35.592 46.515 1.00 0.00 H ATOM 131 N ALA A 811 19.256 35.352 45.413 1.00 10.36 N ATOM 132 CA ALA A 811 20.439 35.224 44.574 1.00 10.68 C ATOM 133 C ALA A 811 20.921 36.582 44.086 1.00 9.88 C ATOM 134 O ALA A 811 22.127 36.808 43.971 1.00 12.74 O ATOM 135 CB ALA A 811 20.123 34.314 43.389 1.00 10.80 C ATOM 136 H ALA A 811 18.331 35.041 45.054 1.00 0.00 H ATOM 137 N LYS A 812 19.989 37.490 43.814 1.00 10.66 N ATOM 138 CA LYS A 812 20.343 38.872 43.476 1.00 11.74 C ATOM 139 C LYS A 812 20.963 39.603 44.664 1.00 15.62 C ATOM 140 O LYS A 812 21.962 40.311 44.506 1.00 14.35 O ATOM 141 CB LYS A 812 19.103 39.616 42.983 1.00 12.67 C ATOM 142 CG LYS A 812 19.276 41.132 42.776 1.00 15.49 C ATOM 143 CD LYS A 812 17.991 41.746 42.250 1.00 17.98 C ATOM 144 CE LYS A 812 18.101 43.265 42.136 1.00 23.75 C ATOM 145 NZ LYS A 812 16.864 43.880 41.571 1.00 36.06 N ATOM 146 HZ1 LYS A 812 16.691 43.496 40.620 1.00 0.00 H ATOM 147 HZ2 LYS A 812 16.056 43.660 42.188 1.00 0.00 H ATOM 148 HZ3 LYS A 812 16.986 44.911 41.513 1.00 0.00 H ATOM 149 H LYS A 812 18.987 37.214 43.842 1.00 0.00 H ATOM 150 N LYS A 813 20.385 39.445 45.861 1.00 12.23 N ATOM 151 CA LYS A 813 20.873 40.174 47.027 1.00 13.91 C ATOM 152 C LYS A 813 22.113 39.548 47.627 1.00 13.37 C ATOM 153 O LYS A 813 22.820 40.216 48.393 1.00 16.66 O ATOM 154 CB LYS A 813 19.794 40.252 48.099 1.00 11.51 C ATOM 155 CG LYS A 813 18.525 40.967 47.666 1.00 16.04 C ATOM 156 CD LYS A 813 18.714 42.474 47.511 1.00 25.11 C ATOM 157 CE LYS A 813 17.551 43.101 46.741 1.00 26.96 C ATOM 158 NZ LYS A 813 16.203 42.812 47.322 1.00 26.53 N ATOM 159 HZ1 LYS A 813 16.044 41.784 47.332 1.00 0.00 H ATOM 160 HZ2 LYS A 813 16.160 43.180 48.294 1.00 0.00 H ATOM 161 HZ3 LYS A 813 15.472 43.272 46.743 1.00 0.00 H ATOM 162 H LYS A 813 19.579 38.795 45.961 1.00 0.00 H ATOM 163 N GLY A 814 22.399 38.290 47.301 1.00 9.96 N ATOM 164 CA GLY A 814 23.541 37.590 47.847 1.00 9.03 C ATOM 165 C GLY A 814 23.323 36.998 49.222 1.00 7.93 C ATOM 166 O GLY A 814 24.293 36.755 49.942 1.00 10.09 O ATOM 167 H GLY A 814 21.780 37.792 46.630 1.00 0.00 H ATOM 168 N CYS A 815 22.077 36.706 49.589 1.00 9.26 N ATOM 169 CA CYS A 815 21.759 36.165 50.913 1.00 9.19 C ATOM 170 C CYS A 815 21.836 34.643 50.865 1.00 8.60 C ATOM 171 O CYS A 815 20.864 33.959 50.530 1.00 10.04 O ATOM 172 CB CYS A 815 20.383 36.629 51.343 1.00 9.42 C ATOM 173 SG CYS A 815 19.907 36.020 52.979 1.00 10.44 S ATOM 174 H CYS A 815 21.303 36.867 48.913 1.00 0.00 H ATOM 175 N LEU A 816 23.010 34.115 51.204 1.00 8.89 N ATOM 176 CA LEU A 816 23.253 32.682 51.077 1.00 10.38 C ATOM 177 C LEU A 816 22.354 31.869 52.005 1.00 9.75 C ATOM 178 O LEU A 816 21.902 30.784 51.635 1.00 11.06 O ATOM 179 CB LEU A 816 24.718 32.365 51.352 1.00 10.26 C ATOM 180 CG LEU A 816 25.088 30.876 51.284 1.00 10.98 C ATOM 181 CD1 LEU A 816 24.718 30.288 49.924 1.00 15.55 C ATOM 182 CD2 LEU A 816 26.573 30.675 51.569 1.00 16.60 C ATOM 183 H LEU A 816 23.765 34.733 51.565 1.00 0.00 H ATOM 184 N ALA A 817 22.092 32.359 53.221 1.00 9.82 N ATOM 185 CA ALA A 817 21.240 31.594 54.126 1.00 12.21 C ATOM 186 C ALA A 817 19.866 31.344 53.512 1.00 10.91 C ATOM 187 O ALA A 817 19.309 30.249 53.661 1.00 11.27 O ATOM 188 CB ALA A 817 21.108 32.311 55.474 1.00 12.75 C ATOM 189 H ALA A 817 22.490 33.273 53.518 1.00 0.00 H ATOM 190 N ARG A 818 19.294 32.344 52.828 1.00 9.20 N ATOM 191 CA ARG A 818 17.988 32.147 52.205 1.00 9.36 C ATOM 192 C ARG A 818 18.093 31.241 50.987 1.00 10.68 C ATOM 193 O ARG A 818 17.204 30.415 50.749 1.00 10.72 O ATOM 194 CB ARG A 818 17.369 33.495 51.830 1.00 11.59 C ATOM 195 CG ARG A 818 16.788 34.250 53.015 1.00 16.32 C ATOM 196 CD ARG A 818 16.248 35.604 52.608 1.00 24.30 C ATOM 197 NE ARG A 818 15.100 35.503 51.712 1.00 24.21 N ATOM 198 CZ ARG A 818 13.844 35.400 52.127 1.00 28.64 C ATOM 199 NH1 ARG A 818 13.580 35.368 53.431 1.00 28.57 N ATOM 200 NH2 ARG A 818 12.855 35.325 51.246 1.00 24.63 N ATOM 201 HE ARG A 818 15.277 35.512 50.687 1.00 0.00 H ATOM 202 HH12 ARG A 818 12.597 35.287 53.761 1.00 0.00 H ATOM 203 HH11 ARG A 818 14.357 35.424 54.120 1.00 0.00 H ATOM 204 HH22 ARG A 818 11.871 35.244 51.574 1.00 0.00 H ATOM 205 HH21 ARG A 818 13.063 35.347 50.227 1.00 0.00 H ATOM 206 H ARG A 818 19.780 33.260 52.741 1.00 0.00 H ATOM 207 N VAL A 819 19.172 31.381 50.203 1.00 9.25 N ATOM 208 CA VAL A 819 19.390 30.474 49.075 1.00 10.59 C ATOM 209 C VAL A 819 19.427 29.024 49.556 1.00 11.05 C ATOM 210 O VAL A 819 18.786 28.140 48.968 1.00 10.43 O ATOM 211 CB VAL A 819 20.675 30.854 48.315 1.00 10.62 C ATOM 212 CG1 VAL A 819 21.025 29.780 47.272 1.00 12.42 C ATOM 213 CG2 VAL A 819 20.491 32.200 47.633 1.00 10.65 C ATOM 214 H VAL A 819 19.858 32.138 50.398 1.00 0.00 H ATOM 215 N GLN A 820 20.176 28.751 50.630 1.00 9.86 N ATOM 216 CA GLN A 820 20.283 27.379 51.128 1.00 10.06 C ATOM 217 C GLN A 820 18.920 26.832 51.529 1.00 10.81 C ATOM 218 O GLN A 820 18.608 25.665 51.264 1.00 11.02 O ATOM 219 CB GLN A 820 21.249 27.301 52.317 1.00 15.53 C ATOM 220 CG GLN A 820 22.709 27.470 51.951 1.00 16.50 C ATOM 221 CD GLN A 820 23.690 27.044 53.048 1.00 20.55 C ATOM 222 OE1 GLN A 820 24.617 27.786 53.370 1.00 23.46 O ATOM 223 NE2 GLN A 820 23.513 25.844 53.596 1.00 16.53 N ATOM 224 HE22 GLN A 820 22.716 25.247 53.295 1.00 0.00 H ATOM 225 HE21 GLN A 820 24.172 25.503 54.325 1.00 0.00 H ATOM 226 H GLN A 820 20.685 29.518 51.114 1.00 0.00 H ATOM 227 N LYS A 821 18.097 27.671 52.165 1.00 9.84 N ATOM 228 CA LYS A 821 16.805 27.208 52.662 1.00 11.47 C ATOM 229 C LYS A 821 15.821 26.945 51.533 1.00 10.67 C ATOM 230 O LYS A 821 15.071 25.955 51.579 1.00 10.65 O ATOM 231 CB LYS A 821 16.223 28.232 53.631 1.00 10.81 C ATOM 232 CG LYS A 821 16.920 28.241 54.955 1.00 11.93 C ATOM 233 CD LYS A 821 16.454 29.386 55.813 1.00 18.14 C ATOM 234 CE LYS A 821 17.069 29.278 57.182 1.00 19.86 C ATOM 235 NZ LYS A 821 16.547 28.088 57.904 1.00 21.49 N ATOM 236 HZ1 LYS A 821 15.515 28.171 58.005 1.00 0.00 H ATOM 237 HZ2 LYS A 821 16.776 27.229 57.365 1.00 0.00 H ATOM 238 HZ3 LYS A 821 16.986 28.035 58.845 1.00 0.00 H ATOM 239 H LYS A 821 18.379 28.662 52.307 1.00 0.00 H ATOM 240 N LEU A 822 15.803 27.806 50.514 1.00 10.23 N ATOM 241 CA LEU A 822 14.753 27.818 49.502 1.00 9.55 C ATOM 242 C LEU A 822 15.078 27.011 48.261 1.00 10.70 C ATOM 243 O LEU A 822 14.154 26.672 47.507 1.00 11.12 O ATOM 244 CB LEU A 822 14.478 29.264 49.067 1.00 12.66 C ATOM 245 CG LEU A 822 14.030 30.154 50.223 1.00 13.33 C ATOM 246 CD1 LEU A 822 14.009 31.629 49.776 1.00 21.14 C ATOM 247 CD2 LEU A 822 12.698 29.706 50.776 1.00 19.70 C ATOM 248 H LEU A 822 16.573 28.501 50.438 1.00 0.00 H ATOM 249 N CYS A 823 16.354 26.734 48.013 1.00 10.57 N ATOM 250 CA CYS A 823 16.707 25.999 46.816 1.00 10.28 C ATOM 251 C CYS A 823 16.165 24.574 46.871 1.00 12.43 C ATOM 252 O CYS A 823 16.112 23.935 47.923 1.00 12.07 O ATOM 253 CB CYS A 823 18.215 25.984 46.637 1.00 17.21 C ATOM 254 SG CYS A 823 18.674 25.763 44.943 1.00 16.39 S ATOM 255 H CYS A 823 17.095 27.043 48.675 1.00 0.00 H ATOM 256 N THR A 824 15.735 24.097 45.712 1.00 11.34 N ATOM 257 CA THR A 824 15.323 22.717 45.517 1.00 11.34 C ATOM 258 C THR A 824 15.906 22.251 44.195 1.00 13.13 C ATOM 259 O THR A 824 16.217 23.068 43.324 1.00 12.83 O ATOM 260 CB THR A 824 13.796 22.536 45.477 1.00 11.51 C ATOM 261 OG1 THR A 824 13.281 23.111 44.277 1.00 12.76 O ATOM 262 CG2 THR A 824 13.115 23.153 46.696 1.00 13.54 C ATOM 263 HG1 THR A 824 12.298 22.994 44.252 1.00 0.00 H ATOM 264 H THR A 824 15.690 24.744 44.899 1.00 0.00 H ATOM 265 N PRO A 825 16.021 20.944 43.993 1.00 14.98 N ATOM 266 CA PRO A 825 16.515 20.482 42.692 1.00 17.39 C ATOM 267 C PRO A 825 15.591 20.880 41.558 1.00 18.25 C ATOM 268 O PRO A 825 16.043 20.976 40.409 1.00 20.30 O ATOM 269 CB PRO A 825 16.614 18.966 42.883 1.00 15.36 C ATOM 270 CG PRO A 825 16.799 18.829 44.397 1.00 18.29 C ATOM 271 CD PRO A 825 15.906 19.849 44.970 1.00 15.61 C ATOM 272 N GLU A 826 14.333 21.203 41.859 1.00 15.67 N ATOM 273 CA GLU A 826 13.363 21.601 40.851 1.00 16.69 C ATOM 274 C GLU A 826 13.363 23.099 40.546 1.00 16.92 C ATOM 275 O GLU A 826 12.964 23.482 39.440 1.00 18.59 O ATOM 276 CB GLU A 826 11.951 21.173 41.270 1.00 25.54 C ATOM 277 CG GLU A 826 11.759 19.663 41.426 1.00 28.91 C ATOM 278 CD GLU A 826 12.261 19.120 42.757 1.00 36.01 C ATOM 279 OE1 GLU A 826 12.301 19.885 43.748 1.00 29.30 O ATOM 280 OE2 GLU A 826 12.615 17.919 42.814 1.00 38.78 O ATOM 281 H GLU A 826 14.033 21.169 42.854 1.00 0.00 H ATOM 282 N ASN A 827 13.790 23.969 41.471 1.00 11.00 N ATOM 283 CA ASN A 827 13.777 25.404 41.198 1.00 9.87 C ATOM 284 C ASN A 827 15.166 25.995 40.987 1.00 9.84 C ATOM 285 O ASN A 827 15.279 27.208 40.805 1.00 10.87 O ATOM 286 CB ASN A 827 13.040 26.188 42.308 1.00 14.57 C ATOM 287 CG ASN A 827 13.799 26.238 43.641 1.00 11.36 C ATOM 288 OD1 ASN A 827 14.972 25.905 43.721 1.00 9.56 O ATOM 289 ND2 ASN A 827 13.104 26.653 44.702 1.00 9.93 N ATOM 290 HD22 ASN A 827 12.107 26.928 44.595 1.00 0.00 H ATOM 291 HD21 ASN A 827 13.560 26.701 45.636 1.00 0.00 H ATOM 292 H ASN A 827 14.133 23.621 42.389 1.00 0.00 H ATOM 293 N ILE A 828 16.221 25.177 40.996 1.00 11.72 N ATOM 294 CA ILE A 828 17.579 25.719 40.928 1.00 11.40 C ATOM 295 C ILE A 828 17.791 26.548 39.665 1.00 10.47 C ATOM 296 O ILE A 828 18.541 27.534 39.679 1.00 10.83 O ATOM 297 CB ILE A 828 18.614 24.576 41.042 1.00 11.34 C ATOM 298 CG1 ILE A 828 20.039 25.113 40.959 1.00 16.88 C ATOM 299 CG2 ILE A 828 18.427 23.552 39.950 1.00 13.57 C ATOM 300 CD1 ILE A 828 20.516 25.731 42.185 1.00 22.30 C ATOM 301 H ILE A 828 16.077 24.149 41.052 1.00 0.00 H ATOM 302 N ASN A 829 17.125 26.191 38.568 1.00 9.36 N ATOM 303 CA ASN A 829 17.178 26.942 37.318 1.00 10.39 C ATOM 304 C ASN A 829 15.844 27.613 36.994 1.00 10.19 C ATOM 305 O ASN A 829 15.509 27.784 35.819 1.00 14.86 O ATOM 306 CB ASN A 829 17.590 26.035 36.159 1.00 11.97 C ATOM 307 CG ASN A 829 18.950 25.404 36.363 1.00 14.26 C ATOM 308 OD1 ASN A 829 19.930 26.091 36.615 1.00 13.39 O ATOM 309 ND2 ASN A 829 19.006 24.084 36.293 1.00 16.42 N ATOM 310 HD22 ASN A 829 18.148 23.538 36.076 1.00 0.00 H ATOM 311 HD21 ASN A 829 19.908 23.592 36.455 1.00 0.00 H ATOM 312 H ASN A 829 16.537 25.334 38.604 1.00 0.00 H ATOM 313 N CYS A 830 15.085 28.015 38.012 1.00 10.56 N ATOM 314 CA CYS A 830 13.845 28.753 37.791 1.00 8.83 C ATOM 315 C CYS A 830 14.146 30.120 37.160 1.00 12.53 C ATOM 316 O CYS A 830 15.298 30.562 37.074 1.00 13.32 O ATOM 317 CB CYS A 830 13.073 28.909 39.103 1.00 10.81 C ATOM 318 SG CYS A 830 13.766 30.087 40.291 1.00 13.56 S ATOM 319 H CYS A 830 15.382 27.799 38.985 1.00 0.00 H ATOM 320 N ARG A 831 13.097 30.801 36.687 1.00 15.93 N ATOM 321 CA ARG A 831 13.311 31.978 35.854 1.00 16.27 C ATOM 322 C ARG A 831 12.514 33.187 36.319 1.00 13.68 C ATOM 323 O ARG A 831 11.355 33.077 36.731 1.00 17.22 O ATOM 324 CB ARG A 831 12.983 31.673 34.395 1.00 18.35 C ATOM 325 CG ARG A 831 14.040 30.786 33.785 1.00 23.29 C ATOM 326 CD ARG A 831 13.755 30.440 32.365 1.00 28.79 C ATOM 327 NE ARG A 831 14.702 29.428 31.918 1.00 33.82 N ATOM 328 CZ ARG A 831 15.903 29.711 31.431 1.00 25.89 C ATOM 329 NH1 ARG A 831 16.289 30.979 31.331 1.00 23.21 N ATOM 330 NH2 ARG A 831 16.708 28.728 31.046 1.00 22.60 N ATOM 331 HE ARG A 831 14.421 28.429 31.984 1.00 0.00 H ATOM 332 HH12 ARG A 831 17.229 31.208 30.950 1.00 0.00 H ATOM 333 HH11 ARG A 831 15.651 31.742 31.634 1.00 0.00 H ATOM 334 HH22 ARG A 831 17.650 28.947 30.664 1.00 0.00 H ATOM 335 HH21 ARG A 831 16.396 27.739 31.127 1.00 0.00 H ATOM 336 H ARG A 831 12.130 30.492 36.913 1.00 0.00 H ATOM 337 N ASP A 832 13.142 34.352 36.198 1.00 12.85 N ATOM 338 CA ASP A 832 12.497 35.631 36.472 1.00 13.24 C ATOM 339 C ASP A 832 11.663 36.001 35.245 1.00 14.87 C ATOM 340 O ASP A 832 12.059 36.807 34.396 1.00 14.51 O ATOM 341 CB ASP A 832 13.553 36.676 36.806 1.00 15.09 C ATOM 342 CG ASP A 832 12.971 38.047 37.059 1.00 19.85 C ATOM 343 OD1 ASP A 832 11.752 38.160 37.321 1.00 20.98 O ATOM 344 OD2 ASP A 832 13.747 39.020 36.984 1.00 21.48 O ATOM 345 H ASP A 832 14.137 34.352 35.895 1.00 0.00 H ATOM 346 N THR A 833 10.477 35.392 35.166 1.00 14.89 N ATOM 347 CA THR A 833 9.657 35.491 33.961 1.00 16.44 C ATOM 348 C THR A 833 9.153 36.902 33.707 1.00 15.61 C ATOM 349 O THR A 833 8.860 37.242 32.556 1.00 16.84 O ATOM 350 CB THR A 833 8.474 34.532 34.064 1.00 19.20 C ATOM 351 OG1 THR A 833 7.741 34.832 35.256 1.00 24.98 O ATOM 352 CG2 THR A 833 8.976 33.101 34.142 1.00 20.04 C ATOM 353 HG1 THR A 833 6.971 34.215 35.332 1.00 0.00 H ATOM 354 H THR A 833 10.132 34.838 35.976 1.00 0.00 H ATOM 355 N GLN A 834 9.082 37.737 34.742 1.00 16.88 N ATOM 356 CA GLN A 834 8.602 39.103 34.591 1.00 20.41 C ATOM 357 C GLN A 834 9.675 40.064 34.106 1.00 20.37 C ATOM 358 O GLN A 834 9.344 41.210 33.783 1.00 21.27 O ATOM 359 CB GLN A 834 8.028 39.616 35.915 1.00 17.57 C ATOM 360 CG GLN A 834 6.649 39.059 36.220 1.00 32.81 C ATOM 361 CD GLN A 834 6.656 37.569 36.524 1.00 30.88 C ATOM 362 H GLN A 834 9.377 37.405 35.682 1.00 0.00 H ATOM 363 N GLY A 835 10.935 39.637 34.056 1.00 16.58 N ATOM 364 CA GLY A 835 12.004 40.482 33.566 1.00 15.89 C ATOM 365 C GLY A 835 12.707 39.893 32.359 1.00 17.33 C ATOM 366 O GLY A 835 12.104 39.773 31.287 1.00 21.44 O ATOM 367 H GLY A 835 11.157 38.673 34.377 1.00 0.00 H ATOM 368 N ARG A 836 13.977 39.501 32.521 1.00 14.79 N ATOM 369 CA ARG A 836 14.792 38.957 31.439 1.00 15.04 C ATOM 370 C ARG A 836 14.778 37.432 31.362 1.00 12.90 C ATOM 371 O ARG A 836 15.537 36.868 30.563 1.00 12.22 O ATOM 372 CB ARG A 836 16.257 39.400 31.587 1.00 18.80 C ATOM 373 CG ARG A 836 16.540 40.850 31.320 1.00 25.46 C ATOM 374 CD ARG A 836 18.043 41.065 31.189 1.00 18.80 C ATOM 375 NE ARG A 836 18.625 40.238 30.131 1.00 19.78 N ATOM 376 CZ ARG A 836 18.879 40.653 28.893 1.00 20.71 C ATOM 377 NH1 ARG A 836 18.615 41.904 28.542 1.00 27.53 N ATOM 378 NH2 ARG A 836 19.400 39.819 28.002 1.00 19.41 N ATOM 379 HE ARG A 836 18.857 39.252 30.365 1.00 0.00 H ATOM 380 HH12 ARG A 836 18.815 42.225 27.573 1.00 0.00 H ATOM 381 HH11 ARG A 836 18.208 42.564 29.235 1.00 0.00 H ATOM 382 HH22 ARG A 836 19.597 40.148 27.035 1.00 0.00 H ATOM 383 HH21 ARG A 836 19.611 38.837 28.271 1.00 0.00 H ATOM 384 H ARG A 836 14.404 39.588 33.465 1.00 0.00 H ATOM 385 N ASN A 837 13.976 36.750 32.188 1.00 14.19 N ATOM 386 CA ASN A 837 13.959 35.284 32.238 1.00 13.70 C ATOM 387 C ASN A 837 15.309 34.742 32.736 1.00 12.50 C ATOM 388 O ASN A 837 15.752 33.662 32.327 1.00 15.62 O ATOM 389 CB ASN A 837 13.577 34.688 30.867 1.00 14.31 C ATOM 390 CG ASN A 837 12.619 33.486 30.951 1.00 19.14 C ATOM 391 OD1 ASN A 837 11.802 33.358 31.864 1.00 20.10 O ATOM 392 ND2 ASN A 837 12.721 32.603 29.963 1.00 24.39 N ATOM 393 HD22 ASN A 837 13.423 32.745 29.209 1.00 0.00 H ATOM 394 HD21 ASN A 837 12.099 31.770 29.944 1.00 0.00 H ATOM 395 H ASN A 837 13.341 37.279 32.819 1.00 0.00 H ATOM 396 N SER A 838 15.972 35.517 33.592 1.00 15.29 N ATOM 397 CA SER A 838 17.230 35.143 34.247 1.00 12.24 C ATOM 398 C SER A 838 17.017 34.005 35.242 1.00 10.55 C ATOM 399 O SER A 838 15.979 33.932 35.909 1.00 11.43 O ATOM 400 CB SER A 838 17.796 36.341 35.029 1.00 15.18 C ATOM 401 OG SER A 838 18.501 37.296 34.245 1.00 17.84 O ATOM 402 HG SER A 838 18.826 38.026 34.830 1.00 0.00 H ATOM 403 H SER A 838 15.571 36.451 33.811 1.00 0.00 H ATOM 404 N THR A 839 18.046 33.156 35.397 1.00 8.12 N ATOM 405 CA THR A 839 18.082 32.141 36.455 1.00 10.58 C ATOM 406 C THR A 839 18.752 32.699 37.698 1.00 8.80 C ATOM 407 O THR A 839 19.404 33.753 37.658 1.00 7.67 O ATOM 408 CB THR A 839 18.851 30.904 35.992 1.00 10.52 C ATOM 409 OG1 THR A 839 20.224 31.252 35.767 1.00 8.87 O ATOM 410 CG2 THR A 839 18.239 30.274 34.738 1.00 10.38 C ATOM 411 HG1 THR A 839 20.276 31.954 35.070 1.00 0.00 H ATOM 412 H THR A 839 18.850 33.221 34.740 1.00 0.00 H ATOM 413 N PRO A 840 18.636 32.011 38.837 1.00 7.85 N ATOM 414 CA PRO A 840 19.410 32.445 40.012 1.00 7.40 C ATOM 415 C PRO A 840 20.898 32.609 39.723 1.00 8.81 C ATOM 416 O PRO A 840 21.514 33.551 40.242 1.00 8.54 O ATOM 417 CB PRO A 840 19.128 31.340 41.046 1.00 7.38 C ATOM 418 CG PRO A 840 17.708 30.844 40.650 1.00 8.56 C ATOM 419 CD PRO A 840 17.727 30.885 39.143 1.00 9.53 C ATOM 420 N LEU A 841 21.496 31.744 38.901 1.00 7.70 N ATOM 421 CA LEU A 841 22.931 31.882 38.618 1.00 7.99 C ATOM 422 C LEU A 841 23.223 33.131 37.778 1.00 7.62 C ATOM 423 O LEU A 841 24.244 33.802 37.997 1.00 8.49 O ATOM 424 CB LEU A 841 23.466 30.622 37.949 1.00 10.50 C ATOM 425 CG LEU A 841 24.974 30.600 37.643 1.00 9.39 C ATOM 426 CD1 LEU A 841 25.824 30.689 38.926 1.00 10.34 C ATOM 427 CD2 LEU A 841 25.318 29.323 36.893 1.00 9.14 C ATOM 428 H LEU A 841 20.949 30.976 38.463 1.00 0.00 H ATOM 429 N HIS A 842 22.338 33.488 36.831 1.00 7.18 N ATOM 430 CA HIS A 842 22.512 34.772 36.138 1.00 8.78 C ATOM 431 C HIS A 842 22.583 35.925 37.129 1.00 10.51 C ATOM 432 O HIS A 842 23.392 36.849 36.970 1.00 8.84 O ATOM 433 CB HIS A 842 21.346 35.066 35.180 1.00 7.58 C ATOM 434 CG HIS A 842 21.361 34.307 33.884 1.00 8.07 C ATOM 435 ND1 HIS A 842 20.654 33.137 33.711 1.00 10.21 N ATOM 436 CD2 HIS A 842 21.938 34.577 32.688 1.00 8.32 C ATOM 437 CE1 HIS A 842 20.805 32.708 32.469 1.00 9.27 C ATOM 438 NE2 HIS A 842 21.569 33.572 31.821 1.00 8.54 N ATOM 439 H HIS A 842 21.541 32.864 36.592 1.00 0.00 H ATOM 440 N LEU A 843 21.691 35.920 38.124 1.00 8.67 N ATOM 441 CA LEU A 843 21.603 37.034 39.057 1.00 9.12 C ATOM 442 C LEU A 843 22.807 37.056 39.990 1.00 12.02 C ATOM 443 O LEU A 843 23.399 38.119 40.231 1.00 11.17 O ATOM 444 CB LEU A 843 20.298 36.955 39.850 1.00 10.45 C ATOM 445 CG LEU A 843 19.040 36.975 38.975 1.00 10.26 C ATOM 446 CD1 LEU A 843 17.817 36.780 39.860 1.00 11.99 C ATOM 447 CD2 LEU A 843 18.910 38.277 38.197 1.00 12.18 C ATOM 448 H LEU A 843 21.050 35.108 38.233 1.00 0.00 H ATOM 449 N ALA A 844 23.203 35.893 40.505 1.00 9.87 N ATOM 450 CA ALA A 844 24.395 35.841 41.347 1.00 9.04 C ATOM 451 C ALA A 844 25.635 36.288 40.582 1.00 9.38 C ATOM 452 O ALA A 844 26.521 36.946 41.147 1.00 12.91 O ATOM 453 CB ALA A 844 24.572 34.429 41.908 1.00 9.80 C ATOM 454 H ALA A 844 22.665 35.025 40.308 1.00 0.00 H ATOM 455 N ALA A 845 25.714 35.956 39.293 1.00 9.63 N ATOM 456 CA ALA A 845 26.869 36.348 38.490 1.00 9.47 C ATOM 457 C ALA A 845 26.857 37.845 38.232 1.00 9.05 C ATOM 458 O ALA A 845 27.890 38.521 38.374 1.00 11.76 O ATOM 459 CB ALA A 845 26.871 35.586 37.167 1.00 10.30 C ATOM 460 H ALA A 845 24.944 35.412 38.854 1.00 0.00 H ATOM 461 N GLY A 846 25.694 38.376 37.848 1.00 9.05 N ATOM 462 CA GLY A 846 25.585 39.782 37.495 1.00 10.71 C ATOM 463 C GLY A 846 25.763 40.709 38.675 1.00 12.30 C ATOM 464 O GLY A 846 26.289 41.817 38.519 1.00 11.48 O ATOM 465 H GLY A 846 24.849 37.772 37.800 1.00 0.00 H ATOM 466 N TYR A 847 25.311 40.288 39.857 1.00 10.96 N ATOM 467 CA TYR A 847 25.379 41.100 41.065 1.00 11.53 C ATOM 468 C TYR A 847 26.564 40.744 41.960 1.00 12.69 C ATOM 469 O TYR A 847 26.609 41.193 43.113 1.00 15.78 O ATOM 470 CB TYR A 847 24.057 40.988 41.829 1.00 12.35 C ATOM 471 CG TYR A 847 22.935 41.689 41.112 1.00 11.17 C ATOM 472 CD1 TYR A 847 22.781 43.080 41.202 1.00 16.24 C ATOM 473 CD2 TYR A 847 22.044 40.987 40.293 1.00 13.28 C ATOM 474 CE1 TYR A 847 21.767 43.735 40.533 1.00 16.41 C ATOM 475 CE2 TYR A 847 21.022 41.640 39.629 1.00 13.57 C ATOM 476 CZ TYR A 847 20.890 43.017 39.747 1.00 19.91 C ATOM 477 OH TYR A 847 19.890 43.689 39.081 1.00 18.56 O ATOM 478 HH TYR A 847 19.010 43.345 39.376 1.00 0.00 H ATOM 479 H TYR A 847 24.892 39.338 39.919 1.00 0.00 H ATOM 480 N ASN A 848 27.502 39.936 41.464 1.00 12.08 N ATOM 481 CA ASN A 848 28.811 39.689 42.089 1.00 11.17 C ATOM 482 C ASN A 848 28.690 39.019 43.453 1.00 15.36 C ATOM 483 O ASN A 848 29.259 39.473 44.455 1.00 14.45 O ATOM 484 CB ASN A 848 29.617 40.978 42.218 1.00 13.78 C ATOM 485 CG ASN A 848 31.070 40.710 42.522 1.00 13.85 C ATOM 486 OD1 ASN A 848 31.590 39.614 42.288 1.00 15.30 O ATOM 487 ND2 ASN A 848 31.750 41.724 43.038 1.00 18.50 N ATOM 488 HD22 ASN A 848 31.274 42.631 43.220 1.00 0.00 H ATOM 489 HD21 ASN A 848 32.760 41.613 43.261 1.00 0.00 H ATOM 490 H ASN A 848 27.293 39.445 40.571 1.00 0.00 H ATOM 491 N ASN A 849 27.968 37.905 43.487 1.00 15.16 N ATOM 492 CA ASN A 849 27.792 37.108 44.705 1.00 14.85 C ATOM 493 C ASN A 849 28.499 35.759 44.506 1.00 17.16 C ATOM 494 O ASN A 849 27.881 34.770 44.126 1.00 15.13 O ATOM 495 CB ASN A 849 26.246 36.979 44.993 1.00 14.96 C ATOM 496 CG ASN A 849 25.569 38.337 45.217 1.00 14.72 C ATOM 497 OD1 ASN A 849 26.110 39.202 45.915 1.00 17.99 O ATOM 498 ND2 ASN A 849 24.396 38.539 44.619 1.00 13.91 N ATOM 499 HD22 ASN A 849 23.972 37.787 44.039 1.00 0.00 H ATOM 500 HD21 ASN A 849 23.905 39.449 44.732 1.00 0.00 H ATOM 501 H ASN A 849 27.507 37.584 42.612 1.00 0.00 H ATOM 502 N LEU A 850 29.819 35.721 44.780 1.00 15.18 N ATOM 503 CA LEU A 850 30.659 34.585 44.377 1.00 13.93 C ATOM 504 C LEU A 850 30.258 33.298 45.093 1.00 16.49 C ATOM 505 O LEU A 850 30.185 32.225 44.478 1.00 17.59 O ATOM 506 CB LEU A 850 32.146 34.890 44.641 1.00 16.80 C ATOM 507 CG LEU A 850 33.168 33.772 44.367 1.00 15.99 C ATOM 508 CD1 LEU A 850 33.284 33.449 42.886 1.00 20.83 C ATOM 509 CD2 LEU A 850 34.573 34.056 44.945 1.00 18.88 C ATOM 510 H LEU A 850 30.254 36.517 45.290 1.00 0.00 H ATOM 511 N GLU A 851 30.058 33.372 46.404 1.00 23.31 N ATOM 512 CA GLU A 851 29.781 32.144 47.134 1.00 20.63 C ATOM 513 C GLU A 851 28.359 31.652 46.879 1.00 15.35 C ATOM 514 O GLU A 851 28.154 30.436 46.809 1.00 17.26 O ATOM 515 CB GLU A 851 30.059 32.327 48.624 1.00 21.21 C ATOM 516 CG GLU A 851 31.513 32.756 48.971 1.00 27.33 C ATOM 517 CD GLU A 851 32.610 31.899 48.334 1.00 34.18 C ATOM 518 OE1 GLU A 851 32.375 30.710 48.039 1.00 34.14 O ATOM 519 OE2 GLU A 851 33.730 32.429 48.127 1.00 29.99 O ATOM 520 H GLU A 851 30.098 34.287 46.897 1.00 0.00 H ATOM 521 N VAL A 852 27.378 32.557 46.714 1.00 15.76 N ATOM 522 CA VAL A 852 26.062 32.125 46.222 1.00 13.62 C ATOM 523 C VAL A 852 26.203 31.480 44.853 1.00 13.52 C ATOM 524 O VAL A 852 25.606 30.437 44.575 1.00 9.46 O ATOM 525 CB VAL A 852 25.055 33.285 46.169 1.00 13.79 C ATOM 526 CG1 VAL A 852 23.809 32.858 45.378 1.00 11.78 C ATOM 527 CG2 VAL A 852 24.651 33.730 47.571 1.00 20.44 C ATOM 528 H VAL A 852 27.550 33.559 46.934 1.00 0.00 H ATOM 529 N ALA A 853 27.006 32.079 43.972 1.00 13.62 N ATOM 530 CA ALA A 853 27.206 31.476 42.665 1.00 9.77 C ATOM 531 C ALA A 853 27.793 30.069 42.771 1.00 8.28 C ATOM 532 O ALA A 853 27.327 29.152 42.089 1.00 10.87 O ATOM 533 CB ALA A 853 28.082 32.383 41.792 1.00 12.56 C ATOM 534 H ALA A 853 27.484 32.969 44.218 1.00 0.00 H ATOM 535 N GLU A 854 28.840 29.870 43.598 1.00 15.02 N ATOM 536 CA GLU A 854 29.384 28.508 43.674 1.00 13.42 C ATOM 537 C GLU A 854 28.404 27.570 44.367 1.00 9.59 C ATOM 538 O GLU A 854 28.260 26.421 43.948 1.00 13.31 O ATOM 539 CB GLU A 854 30.752 28.423 44.372 1.00 21.31 C ATOM 540 CG GLU A 854 31.318 26.970 44.257 1.00 21.91 C ATOM 541 CD GLU A 854 32.833 26.806 44.465 1.00 24.45 C ATOM 542 OE1 GLU A 854 33.460 27.659 45.146 1.00 22.14 O ATOM 543 OE2 GLU A 854 33.376 25.784 43.952 1.00 24.41 O ATOM 544 H GLU A 854 29.245 30.648 44.158 1.00 0.00 H ATOM 545 N TYR A 855 27.678 28.061 45.382 1.00 10.22 N ATOM 546 CA TYR A 855 26.634 27.225 45.983 1.00 9.37 C ATOM 547 C TYR A 855 25.657 26.741 44.917 1.00 9.23 C ATOM 548 O TYR A 855 25.317 25.555 44.842 1.00 9.72 O ATOM 549 CB TYR A 855 25.879 27.991 47.069 1.00 9.62 C ATOM 550 CG TYR A 855 24.944 27.117 47.887 1.00 9.25 C ATOM 551 CD1 TYR A 855 23.629 26.888 47.500 1.00 11.39 C ATOM 552 CD2 TYR A 855 25.401 26.515 49.042 1.00 10.94 C ATOM 553 CE1 TYR A 855 22.782 26.057 48.287 1.00 8.63 C ATOM 554 CE2 TYR A 855 24.589 25.699 49.801 1.00 14.69 C ATOM 555 CZ TYR A 855 23.289 25.473 49.416 1.00 12.30 C ATOM 556 OH TYR A 855 22.513 24.661 50.219 1.00 15.53 O ATOM 557 HH TYR A 855 21.606 24.583 49.829 1.00 0.00 H ATOM 558 H TYR A 855 27.853 29.022 45.738 1.00 0.00 H ATOM 559 N LEU A 856 25.200 27.661 44.065 1.00 9.31 N ATOM 560 CA LEU A 856 24.269 27.278 43.012 1.00 8.10 C ATOM 561 C LEU A 856 24.903 26.260 42.069 1.00 8.43 C ATOM 562 O LEU A 856 24.263 25.267 41.702 1.00 10.35 O ATOM 563 CB LEU A 856 23.793 28.524 42.250 1.00 7.10 C ATOM 564 CG LEU A 856 22.899 29.487 43.038 1.00 8.21 C ATOM 565 CD1 LEU A 856 22.715 30.780 42.259 1.00 9.54 C ATOM 566 CD2 LEU A 856 21.549 28.853 43.316 1.00 9.29 C ATOM 567 H LEU A 856 25.508 28.650 44.153 1.00 0.00 H ATOM 568 N LEU A 857 26.173 26.468 41.709 1.00 13.02 N ATOM 569 CA LEU A 857 26.859 25.520 40.829 1.00 14.25 C ATOM 570 C LEU A 857 27.003 24.147 41.482 1.00 13.51 C ATOM 571 O LEU A 857 26.844 23.110 40.821 1.00 16.63 O ATOM 572 CB LEU A 857 28.227 26.077 40.445 1.00 15.01 C ATOM 573 CG LEU A 857 28.132 27.203 39.415 1.00 17.96 C ATOM 574 CD1 LEU A 857 29.397 28.028 39.429 1.00 19.05 C ATOM 575 CD2 LEU A 857 27.863 26.626 38.039 1.00 20.35 C ATOM 576 H LEU A 857 26.677 27.309 42.056 1.00 0.00 H ATOM 577 N GLU A 858 27.270 24.124 42.785 1.00 15.52 N ATOM 578 CA GLU A 858 27.399 22.867 43.520 1.00 16.04 C ATOM 579 C GLU A 858 26.073 22.157 43.727 1.00 20.29 C ATOM 580 O GLU A 858 26.067 20.999 44.164 1.00 19.64 O ATOM 581 CB GLU A 858 28.060 23.134 44.873 1.00 14.75 C ATOM 582 CG GLU A 858 29.522 23.526 44.728 1.00 20.66 C ATOM 583 CD GLU A 858 30.168 23.877 46.040 1.00 22.29 C ATOM 584 OE1 GLU A 858 29.589 24.677 46.800 1.00 23.23 O ATOM 585 OE2 GLU A 858 31.263 23.342 46.319 1.00 35.15 O ATOM 586 H GLU A 858 27.390 25.023 43.294 1.00 0.00 H ATOM 587 N HIS A 859 24.949 22.812 43.443 1.00 13.19 N ATOM 588 CA HIS A 859 23.641 22.193 43.602 1.00 14.13 C ATOM 589 C HIS A 859 22.928 22.026 42.263 1.00 12.92 C ATOM 590 O HIS A 859 21.706 21.858 42.229 1.00 20.71 O ATOM 591 CB HIS A 859 22.804 22.989 44.602 1.00 12.07 C ATOM 592 CG HIS A 859 23.318 22.874 46.004 1.00 9.03 C ATOM 593 ND1 HIS A 859 24.437 23.558 46.431 1.00 10.73 N ATOM 594 CD2 HIS A 859 22.912 22.121 47.055 1.00 12.12 C ATOM 595 CE1 HIS A 859 24.699 23.233 47.684 1.00 10.97 C ATOM 596 NE2 HIS A 859 23.783 22.368 48.090 1.00 13.01 N ATOM 597 H HIS A 859 25.007 23.792 43.099 1.00 0.00 H ATOM 598 N GLY A 860 23.676 22.098 41.168 1.00 19.22 N ATOM 599 CA GLY A 860 23.172 21.737 39.861 1.00 23.03 C ATOM 600 C GLY A 860 22.723 22.873 38.967 1.00 16.50 C ATOM 601 O GLY A 860 22.032 22.615 37.979 1.00 18.49 O ATOM 602 H GLY A 860 24.659 22.426 41.253 1.00 0.00 H ATOM 603 N ALA A 861 23.068 24.113 39.282 1.00 12.95 N ATOM 604 CA ALA A 861 22.709 25.195 38.386 1.00 9.95 C ATOM 605 C ALA A 861 23.336 24.994 37.010 1.00 11.58 C ATOM 606 O ALA A 861 24.478 24.537 36.884 1.00 14.35 O ATOM 607 CB ALA A 861 23.144 26.530 38.979 1.00 11.39 C ATOM 608 H ALA A 861 23.590 24.308 40.160 1.00 0.00 H ATOM 609 N ASP A 862 22.594 25.382 35.977 1.00 12.25 N ATOM 610 CA ASP A 862 23.021 25.195 34.592 1.00 10.57 C ATOM 611 C ASP A 862 23.927 26.351 34.185 1.00 9.85 C ATOM 612 O ASP A 862 23.469 27.488 33.995 1.00 11.80 O ATOM 613 CB ASP A 862 21.799 25.096 33.684 1.00 10.94 C ATOM 614 CG ASP A 862 22.160 24.853 32.235 1.00 15.13 C ATOM 615 OD1 ASP A 862 23.354 24.675 31.919 1.00 13.24 O ATOM 616 OD2 ASP A 862 21.208 24.829 31.417 1.00 21.26 O ATOM 617 H ASP A 862 21.676 25.835 36.161 1.00 0.00 H ATOM 618 N VAL A 863 25.216 26.045 34.027 1.00 11.04 N ATOM 619 CA VAL A 863 26.197 27.068 33.732 1.00 13.17 C ATOM 620 C VAL A 863 25.968 27.665 32.348 1.00 15.60 C ATOM 621 O VAL A 863 26.451 28.771 32.070 1.00 22.34 O ATOM 622 CB VAL A 863 27.593 26.427 33.900 1.00 18.94 C ATOM 623 CG1 VAL A 863 28.046 25.723 32.608 1.00 15.09 C ATOM 624 CG2 VAL A 863 28.607 27.382 34.482 1.00 19.62 C ATOM 625 H VAL A 863 25.521 25.055 34.117 1.00 0.00 H ATOM 626 N ASN A 864 25.215 26.984 31.471 1.00 12.02 N ATOM 627 CA ASN A 864 24.918 27.477 30.133 1.00 19.62 C ATOM 628 C ASN A 864 23.438 27.822 29.930 1.00 13.45 C ATOM 629 O ASN A 864 22.984 27.934 28.790 1.00 15.94 O ATOM 630 CB ASN A 864 25.384 26.465 29.091 1.00 25.30 C ATOM 631 CG ASN A 864 26.883 26.243 29.133 1.00 22.26 C ATOM 632 OD1 ASN A 864 27.673 27.188 29.282 1.00 31.54 O ATOM 633 ND2 ASN A 864 27.286 24.988 29.024 1.00 32.11 N ATOM 634 HD22 ASN A 864 26.588 24.227 28.900 1.00 0.00 H ATOM 635 HD21 ASN A 864 28.301 24.762 29.062 1.00 0.00 H ATOM 636 H ASN A 864 24.826 26.063 31.759 1.00 0.00 H ATOM 637 N ALA A 865 22.685 28.050 31.010 1.00 12.66 N ATOM 638 CA ALA A 865 21.315 28.539 30.863 1.00 9.85 C ATOM 639 C ALA A 865 21.286 29.898 30.171 1.00 11.00 C ATOM 640 O ALA A 865 22.104 30.771 30.462 1.00 11.35 O ATOM 641 CB ALA A 865 20.641 28.664 32.230 1.00 11.51 C ATOM 642 H ALA A 865 23.075 27.879 31.959 1.00 0.00 H ATOM 643 N GLN A 866 20.310 30.089 29.276 1.00 12.33 N ATOM 644 CA GLN A 866 20.196 31.325 28.504 1.00 9.97 C ATOM 645 C GLN A 866 18.998 32.140 28.955 1.00 12.21 C ATOM 646 O GLN A 866 17.896 31.597 29.115 1.00 13.88 O ATOM 647 CB GLN A 866 20.067 31.044 26.997 1.00 11.57 C ATOM 648 CG GLN A 866 21.330 30.468 26.369 1.00 12.62 C ATOM 649 CD GLN A 866 21.218 30.324 24.849 1.00 17.79 C ATOM 650 OE1 GLN A 866 20.563 31.128 24.171 1.00 19.66 O ATOM 651 NE2 GLN A 866 21.831 29.279 24.316 1.00 22.36 N ATOM 652 HE22 GLN A 866 22.371 28.628 24.922 1.00 0.00 H ATOM 653 HE21 GLN A 866 21.773 29.109 23.292 1.00 0.00 H ATOM 654 H GLN A 866 19.610 29.334 29.125 1.00 0.00 H ATOM 655 N ASP A 867 19.197 33.443 29.142 1.00 10.35 N ATOM 656 CA ASP A 867 18.072 34.328 29.416 1.00 9.88 C ATOM 657 C ASP A 867 17.381 34.659 28.088 1.00 11.31 C ATOM 658 O ASP A 867 17.701 34.095 27.035 1.00 11.77 O ATOM 659 CB ASP A 867 18.509 35.558 30.235 1.00 13.20 C ATOM 660 CG ASP A 867 19.302 36.602 29.430 1.00 11.94 C ATOM 661 OD1 ASP A 867 19.442 36.478 28.201 1.00 11.26 O ATOM 662 OD2 ASP A 867 19.792 37.572 30.040 1.00 12.45 O ATOM 663 H ASP A 867 20.160 33.831 29.092 1.00 0.00 H ATOM 664 N LYS A 868 16.416 35.582 28.121 1.00 11.44 N ATOM 665 CA LYS A 868 15.588 35.805 26.938 1.00 13.58 C ATOM 666 C LYS A 868 16.364 36.463 25.809 1.00 17.28 C ATOM 667 O LYS A 868 15.898 36.451 24.662 1.00 18.99 O ATOM 668 CB LYS A 868 14.366 36.646 27.294 1.00 18.48 C ATOM 669 CG LYS A 868 14.621 38.120 27.445 1.00 17.14 C ATOM 670 CD LYS A 868 13.301 38.834 27.716 1.00 17.67 C ATOM 671 CE LYS A 868 13.452 40.344 27.678 1.00 20.96 C ATOM 672 NZ LYS A 868 12.290 41.004 28.367 1.00 28.62 N ATOM 673 HZ1 LYS A 868 11.407 40.739 27.886 1.00 0.00 H ATOM 674 HZ2 LYS A 868 12.253 40.691 29.358 1.00 0.00 H ATOM 675 HZ3 LYS A 868 12.409 42.037 28.332 1.00 0.00 H ATOM 676 H LYS A 868 16.255 36.139 28.984 1.00 0.00 H ATOM 677 N GLY A 869 17.526 37.038 26.105 1.00 10.76 N ATOM 678 CA GLY A 869 18.416 37.561 25.087 1.00 13.10 C ATOM 679 C GLY A 869 19.518 36.619 24.663 1.00 12.22 C ATOM 680 O GLY A 869 20.400 37.037 23.904 1.00 13.49 O ATOM 681 H GLY A 869 17.807 37.115 27.103 1.00 0.00 H ATOM 682 N GLY A 870 19.508 35.374 25.129 1.00 8.99 N ATOM 683 CA GLY A 870 20.577 34.438 24.850 1.00 10.10 C ATOM 684 C GLY A 870 21.805 34.555 25.729 1.00 10.09 C ATOM 685 O GLY A 870 22.803 33.871 25.457 1.00 10.20 O ATOM 686 H GLY A 870 18.706 35.062 25.713 1.00 0.00 H ATOM 687 N LEU A 871 21.770 35.372 26.783 1.00 8.64 N ATOM 688 CA LEU A 871 22.935 35.498 27.645 1.00 10.22 C ATOM 689 C LEU A 871 23.063 34.278 28.532 1.00 10.09 C ATOM 690 O LEU A 871 22.066 33.778 29.056 1.00 9.80 O ATOM 691 CB LEU A 871 22.832 36.720 28.554 1.00 10.29 C ATOM 692 CG LEU A 871 22.726 38.096 27.909 1.00 12.44 C ATOM 693 CD1 LEU A 871 22.701 39.160 29.011 1.00 11.71 C ATOM 694 CD2 LEU A 871 23.859 38.358 26.942 1.00 14.02 C ATOM 695 H LEU A 871 20.910 35.919 26.988 1.00 0.00 H ATOM 696 N ILE A 872 24.298 33.831 28.732 1.00 7.74 N ATOM 697 CA ILE A 872 24.578 32.851 29.780 1.00 8.01 C ATOM 698 C ILE A 872 25.172 33.625 30.953 1.00 9.28 C ATOM 699 O ILE A 872 25.556 34.787 30.787 1.00 8.82 O ATOM 700 CB ILE A 872 25.519 31.731 29.294 1.00 9.89 C ATOM 701 CG1 ILE A 872 26.879 32.279 28.852 1.00 12.92 C ATOM 702 CG2 ILE A 872 24.845 30.891 28.207 1.00 10.26 C ATOM 703 CD1 ILE A 872 27.923 31.177 28.728 1.00 15.03 C ATOM 704 H ILE A 872 25.075 34.182 28.136 1.00 0.00 H ATOM 705 N PRO A 873 25.250 33.050 32.156 1.00 7.95 N ATOM 706 CA PRO A 873 25.764 33.845 33.292 1.00 7.78 C ATOM 707 C PRO A 873 27.155 34.434 33.078 1.00 9.38 C ATOM 708 O PRO A 873 27.439 35.511 33.622 1.00 9.67 O ATOM 709 CB PRO A 873 25.740 32.833 34.442 1.00 10.33 C ATOM 710 CG PRO A 873 24.583 31.915 34.076 1.00 10.27 C ATOM 711 CD PRO A 873 24.676 31.757 32.585 1.00 10.29 C ATOM 712 N LEU A 874 28.023 33.796 32.283 1.00 9.90 N ATOM 713 CA LEU A 874 29.313 34.417 31.995 1.00 8.49 C ATOM 714 C LEU A 874 29.152 35.761 31.288 1.00 9.58 C ATOM 715 O LEU A 874 29.980 36.653 31.487 1.00 8.61 O ATOM 716 CB LEU A 874 30.191 33.472 31.161 1.00 9.59 C ATOM 717 CG LEU A 874 31.605 33.970 30.822 1.00 10.74 C ATOM 718 CD1 LEU A 874 32.397 34.381 32.078 1.00 12.32 C ATOM 719 CD2 LEU A 874 32.383 32.916 30.018 1.00 12.21 C ATOM 720 H LEU A 874 27.782 32.870 31.876 1.00 0.00 H ATOM 721 N HIS A 875 28.100 35.940 30.469 1.00 8.45 N ATOM 722 CA HIS A 875 27.859 37.263 29.870 1.00 7.17 C ATOM 723 C HIS A 875 27.596 38.312 30.939 1.00 10.46 C ATOM 724 O HIS A 875 28.073 39.452 30.836 1.00 9.83 O ATOM 725 CB HIS A 875 26.651 37.240 28.914 1.00 7.47 C ATOM 726 CG HIS A 875 26.899 36.604 27.570 1.00 8.06 C ATOM 727 ND1 HIS A 875 26.487 35.319 27.270 1.00 9.10 N ATOM 728 CD2 HIS A 875 27.428 37.106 26.427 1.00 8.37 C ATOM 729 CE1 HIS A 875 26.802 35.040 26.013 1.00 9.98 C ATOM 730 NE2 HIS A 875 27.369 36.109 25.478 1.00 10.34 N ATOM 731 H HIS A 875 27.460 35.147 30.260 1.00 0.00 H ATOM 732 N ASN A 876 26.810 37.954 31.964 1.00 8.72 N ATOM 733 CA ASN A 876 26.509 38.910 33.030 1.00 7.74 C ATOM 734 C ASN A 876 27.771 39.293 33.783 1.00 7.44 C ATOM 735 O ASN A 876 27.993 40.477 34.092 1.00 9.86 O ATOM 736 CB ASN A 876 25.490 38.311 34.008 1.00 7.09 C ATOM 737 CG ASN A 876 24.202 37.892 33.336 1.00 10.58 C ATOM 738 OD1 ASN A 876 24.203 36.966 32.537 1.00 10.94 O ATOM 739 ND2 ASN A 876 23.103 38.550 33.663 1.00 12.07 N ATOM 740 HD22 ASN A 876 23.149 39.332 34.348 1.00 0.00 H ATOM 741 HD21 ASN A 876 22.192 38.286 33.236 1.00 0.00 H ATOM 742 H ASN A 876 26.413 36.994 32.002 1.00 0.00 H ATOM 743 N ALA A 877 28.604 38.304 34.120 1.00 9.22 N ATOM 744 CA ALA A 877 29.860 38.619 34.794 1.00 9.82 C ATOM 745 C ALA A 877 30.754 39.493 33.919 1.00 10.36 C ATOM 746 O ALA A 877 31.407 40.423 34.417 1.00 11.60 O ATOM 747 CB ALA A 877 30.585 37.331 35.178 1.00 12.95 C ATOM 748 H ALA A 877 28.359 37.317 33.904 1.00 0.00 H ATOM 749 N ALA A 878 30.799 39.208 32.614 1.00 10.52 N ATOM 750 CA ALA A 878 31.620 40.004 31.700 1.00 10.14 C ATOM 751 C ALA A 878 31.115 41.438 31.619 1.00 9.97 C ATOM 752 O ALA A 878 31.909 42.392 31.651 1.00 11.08 O ATOM 753 CB ALA A 878 31.627 39.372 30.307 1.00 13.37 C ATOM 754 H ALA A 878 30.244 38.411 32.243 1.00 0.00 H ATOM 755 N SER A 879 29.797 41.615 31.525 1.00 10.21 N ATOM 756 CA SER A 879 29.222 42.951 31.392 1.00 8.42 C ATOM 757 C SER A 879 29.619 43.859 32.548 1.00 11.36 C ATOM 758 O SER A 879 29.878 45.057 32.351 1.00 10.87 O ATOM 759 CB SER A 879 27.697 42.849 31.302 1.00 10.81 C ATOM 760 OG SER A 879 27.129 44.053 30.799 1.00 13.73 O ATOM 761 HG SER A 879 27.488 44.233 29.894 1.00 0.00 H ATOM 762 H SER A 879 29.167 40.788 31.547 1.00 0.00 H ATOM 763 N TYR A 880 29.660 43.314 33.761 1.00 10.15 N ATOM 764 CA TYR A 880 29.829 44.131 34.957 1.00 10.32 C ATOM 765 C TYR A 880 31.214 43.981 35.573 1.00 11.75 C ATOM 766 O TYR A 880 31.491 44.603 36.617 1.00 15.11 O ATOM 767 CB TYR A 880 28.708 43.806 35.964 1.00 10.84 C ATOM 768 CG TYR A 880 27.353 44.225 35.414 1.00 8.67 C ATOM 769 CD1 TYR A 880 27.041 45.579 35.260 1.00 12.29 C ATOM 770 CD2 TYR A 880 26.411 43.294 34.975 1.00 11.16 C ATOM 771 CE1 TYR A 880 25.839 45.982 34.744 1.00 12.01 C ATOM 772 CE2 TYR A 880 25.197 43.696 34.458 1.00 10.64 C ATOM 773 CZ TYR A 880 24.917 45.043 34.333 1.00 11.55 C ATOM 774 OH TYR A 880 23.719 45.454 33.813 1.00 15.59 O ATOM 775 HH TYR A 880 22.981 45.109 34.376 1.00 0.00 H ATOM 776 H TYR A 880 29.570 42.283 33.858 1.00 0.00 H ATOM 777 N GLY A 881 32.095 43.202 34.945 1.00 11.52 N ATOM 778 CA GLY A 881 33.491 43.127 35.349 1.00 14.58 C ATOM 779 C GLY A 881 33.781 42.287 36.571 1.00 17.90 C ATOM 780 O GLY A 881 34.734 42.570 37.293 1.00 15.90 O ATOM 781 H GLY A 881 31.774 42.629 34.139 1.00 0.00 H ATOM 782 N HIS A 882 33.015 41.233 36.807 1.00 13.39 N ATOM 783 CA HIS A 882 33.176 40.440 38.024 1.00 12.97 C ATOM 784 C HIS A 882 34.154 39.304 37.736 1.00 14.32 C ATOM 785 O HIS A 882 33.775 38.201 37.328 1.00 13.98 O ATOM 786 CB HIS A 882 31.810 39.967 38.509 1.00 15.16 C ATOM 787 CG HIS A 882 30.854 41.089 38.798 1.00 12.66 C ATOM 788 ND1 HIS A 882 31.249 42.291 39.354 1.00 12.89 N ATOM 789 CD2 HIS A 882 29.523 41.203 38.578 1.00 9.86 C ATOM 790 CE1 HIS A 882 30.198 43.077 39.491 1.00 10.16 C ATOM 791 NE2 HIS A 882 29.136 42.443 39.016 1.00 11.99 N ATOM 792 H HIS A 882 32.287 40.965 36.115 1.00 0.00 H ATOM 793 N VAL A 883 35.443 39.583 37.977 1.00 14.73 N ATOM 794 CA VAL A 883 36.528 38.685 37.579 1.00 14.03 C ATOM 795 C VAL A 883 36.405 37.322 38.263 1.00 13.08 C ATOM 796 O VAL A 883 36.528 36.272 37.618 1.00 16.41 O ATOM 797 CB VAL A 883 37.891 39.340 37.884 1.00 17.39 C ATOM 798 CG1 VAL A 883 39.014 38.335 37.733 1.00 28.75 C ATOM 799 CG2 VAL A 883 38.112 40.543 36.972 1.00 21.92 C ATOM 800 H VAL A 883 35.681 40.470 38.465 1.00 0.00 H ATOM 801 N ASP A 884 36.205 37.318 39.585 1.00 16.61 N ATOM 802 CA ASP A 884 36.191 36.054 40.320 1.00 17.32 C ATOM 803 C ASP A 884 35.015 35.188 39.896 1.00 14.68 C ATOM 804 O ASP A 884 35.144 33.960 39.784 1.00 14.93 O ATOM 805 CB ASP A 884 36.131 36.309 41.822 1.00 16.06 C ATOM 806 CG ASP A 884 37.438 36.834 42.378 1.00 29.52 C ATOM 807 OD1 ASP A 884 38.500 36.469 41.836 1.00 32.54 O ATOM 808 OD2 ASP A 884 37.394 37.605 43.361 1.00 39.45 O ATOM 809 H ASP A 884 36.059 38.215 40.091 1.00 0.00 H ATOM 810 N ILE A 885 33.862 35.820 39.652 1.00 14.26 N ATOM 811 CA ILE A 885 32.694 35.104 39.137 1.00 13.67 C ATOM 812 C ILE A 885 33.016 34.456 37.798 1.00 14.17 C ATOM 813 O ILE A 885 32.751 33.267 37.572 1.00 12.35 O ATOM 814 CB ILE A 885 31.501 36.061 38.989 1.00 14.37 C ATOM 815 CG1 ILE A 885 31.139 36.739 40.307 1.00 18.00 C ATOM 816 CG2 ILE A 885 30.325 35.326 38.361 1.00 21.68 C ATOM 817 CD1 ILE A 885 30.394 35.881 41.252 1.00 15.17 C ATOM 818 H ILE A 885 33.794 36.842 39.832 1.00 0.00 H ATOM 819 N ALA A 886 33.580 35.238 36.875 1.00 13.24 N ATOM 820 CA ALA A 886 33.891 34.696 35.566 1.00 13.49 C ATOM 821 C ALA A 886 34.876 33.535 35.667 1.00 12.66 C ATOM 822 O ALA A 886 34.718 32.516 34.990 1.00 14.24 O ATOM 823 CB ALA A 886 34.422 35.808 34.652 1.00 14.48 C ATOM 824 H ALA A 886 33.796 36.232 37.093 1.00 0.00 H ATOM 825 N ALA A 887 35.909 33.673 36.505 1.00 15.58 N ATOM 826 CA ALA A 887 36.867 32.583 36.691 1.00 17.59 C ATOM 827 C ALA A 887 36.189 31.330 37.239 1.00 13.42 C ATOM 828 O ALA A 887 36.501 30.209 36.821 1.00 12.85 O ATOM 829 CB ALA A 887 37.981 33.034 37.635 1.00 18.61 C ATOM 830 H ALA A 887 36.032 34.563 37.029 1.00 0.00 H ATOM 831 N LEU A 888 35.274 31.505 38.192 1.00 14.83 N ATOM 832 CA LEU A 888 34.526 30.370 38.722 1.00 10.95 C ATOM 833 C LEU A 888 33.660 29.715 37.653 1.00 13.65 C ATOM 834 O LEU A 888 33.617 28.482 37.550 1.00 13.87 O ATOM 835 CB LEU A 888 33.655 30.822 39.883 1.00 14.73 C ATOM 836 CG LEU A 888 32.925 29.656 40.528 1.00 19.57 C ATOM 837 CD1 LEU A 888 33.885 28.920 41.447 1.00 19.66 C ATOM 838 CD2 LEU A 888 31.702 30.168 41.275 1.00 21.23 C ATOM 839 H LEU A 888 35.091 32.460 38.561 1.00 0.00 H ATOM 840 N LEU A 889 32.952 30.519 36.852 1.00 12.80 N ATOM 841 CA LEU A 889 32.121 29.942 35.803 1.00 10.57 C ATOM 842 C LEU A 889 32.968 29.153 34.819 1.00 12.66 C ATOM 843 O LEU A 889 32.561 28.087 34.352 1.00 12.95 O ATOM 844 CB LEU A 889 31.329 31.046 35.084 1.00 11.08 C ATOM 845 CG LEU A 889 30.269 31.733 35.947 1.00 9.71 C ATOM 846 CD1 LEU A 889 29.722 33.001 35.271 1.00 10.56 C ATOM 847 CD2 LEU A 889 29.118 30.764 36.200 1.00 11.55 C ATOM 848 H LEU A 889 32.994 31.551 36.977 1.00 0.00 H ATOM 849 N ILE A 890 34.172 29.649 34.519 1.00 14.11 N ATOM 850 CA ILE A 890 35.065 28.948 33.606 1.00 14.17 C ATOM 851 C ILE A 890 35.533 27.633 34.224 1.00 14.28 C ATOM 852 O ILE A 890 35.628 26.607 33.533 1.00 14.65 O ATOM 853 CB ILE A 890 36.229 29.879 33.220 1.00 16.23 C ATOM 854 CG1 ILE A 890 35.689 31.017 32.342 1.00 17.83 C ATOM 855 CG2 ILE A 890 37.331 29.117 32.492 1.00 19.14 C ATOM 856 CD1 ILE A 890 36.663 32.197 32.155 1.00 16.96 C ATOM 857 H ILE A 890 34.476 30.548 34.943 1.00 0.00 H ATOM 858 N LYS A 891 35.797 27.638 35.536 1.00 13.74 N ATOM 859 CA LYS A 891 36.161 26.401 36.227 1.00 14.95 C ATOM 860 C LYS A 891 35.040 25.373 36.164 1.00 18.17 C ATOM 861 O LYS A 891 35.306 24.162 36.133 1.00 16.12 O ATOM 862 CB LYS A 891 36.518 26.698 37.682 1.00 16.82 C ATOM 863 CG LYS A 891 37.954 27.103 37.888 1.00 25.50 C ATOM 864 CD LYS A 891 38.333 27.015 39.360 1.00 23.23 C ATOM 865 CE LYS A 891 39.770 27.471 39.577 1.00 35.99 C ATOM 866 NZ LYS A 891 40.728 26.680 38.753 1.00 33.37 N ATOM 867 HZ1 LYS A 891 40.659 25.675 39.013 1.00 0.00 H ATOM 868 HZ2 LYS A 891 40.495 26.796 37.746 1.00 0.00 H ATOM 869 HZ3 LYS A 891 41.696 27.019 38.927 1.00 0.00 H ATOM 870 H LYS A 891 35.743 28.529 36.069 1.00 0.00 H ATOM 871 N TYR A 892 33.781 25.825 36.126 1.00 13.26 N ATOM 872 CA TYR A 892 32.654 24.907 36.000 1.00 13.12 C ATOM 873 C TYR A 892 32.246 24.678 34.540 1.00 14.67 C ATOM 874 O TYR A 892 31.089 24.343 34.265 1.00 17.45 O ATOM 875 CB TYR A 892 31.473 25.397 36.858 1.00 14.76 C ATOM 876 CG TYR A 892 31.621 25.020 38.330 1.00 13.59 C ATOM 877 CD1 TYR A 892 32.444 25.752 39.173 1.00 15.92 C ATOM 878 CD2 TYR A 892 30.968 23.909 38.857 1.00 12.99 C ATOM 879 CE1 TYR A 892 32.607 25.414 40.513 1.00 16.51 C ATOM 880 CE2 TYR A 892 31.132 23.556 40.198 1.00 15.49 C ATOM 881 CZ TYR A 892 31.958 24.313 41.016 1.00 17.08 C ATOM 882 OH TYR A 892 32.140 23.985 42.351 1.00 19.12 O ATOM 883 HH TYR A 892 32.759 24.636 42.768 1.00 0.00 H ATOM 884 H TYR A 892 33.603 26.848 36.187 1.00 0.00 H ATOM 885 N ASN A 893 33.184 24.869 33.606 1.00 13.51 N ATOM 886 CA ASN A 893 33.095 24.376 32.231 1.00 12.94 C ATOM 887 C ASN A 893 32.125 25.180 31.371 1.00 15.79 C ATOM 888 O ASN A 893 31.557 24.659 30.406 1.00 17.36 O ATOM 889 CB ASN A 893 32.756 22.884 32.211 1.00 17.12 C ATOM 890 CG ASN A 893 33.818 22.052 32.923 1.00 29.42 C ATOM 891 OD1 ASN A 893 33.520 21.302 33.859 1.00 39.97 O ATOM 892 ND2 ASN A 893 35.072 22.212 32.503 1.00 31.08 N ATOM 893 HD22 ASN A 893 35.277 22.854 31.711 1.00 0.00 H ATOM 894 HD21 ASN A 893 35.846 21.695 32.967 1.00 0.00 H ATOM 895 H ASN A 893 34.034 25.404 33.875 1.00 0.00 H ATOM 896 N THR A 894 31.963 26.462 31.687 1.00 13.63 N ATOM 897 CA THR A 894 31.232 27.390 30.828 1.00 11.46 C ATOM 898 C THR A 894 31.912 27.501 29.474 1.00 12.52 C ATOM 899 O THR A 894 33.137 27.407 29.374 1.00 15.59 O ATOM 900 CB THR A 894 31.177 28.776 31.474 1.00 10.70 C ATOM 901 OG1 THR A 894 30.394 28.723 32.661 1.00 11.54 O ATOM 902 CG2 THR A 894 30.560 29.804 30.545 1.00 10.76 C ATOM 903 HG1 THR A 894 30.801 28.081 33.295 1.00 0.00 H ATOM 904 H THR A 894 32.371 26.816 32.576 1.00 0.00 H ATOM 905 N CYS A 895 31.121 27.731 28.432 1.00 16.09 N ATOM 906 CA CYS A 895 31.673 27.997 27.111 1.00 16.63 C ATOM 907 C CYS A 895 32.118 29.456 27.029 1.00 12.25 C ATOM 908 O CYS A 895 31.284 30.368 26.981 1.00 15.25 O ATOM 909 CB CYS A 895 30.643 27.685 26.034 1.00 19.15 C ATOM 910 SG CYS A 895 31.302 27.899 24.371 1.00 33.51 S ATOM 911 H CYS A 895 30.089 27.721 28.562 1.00 0.00 H ATOM 912 N VAL A 896 33.435 29.673 26.958 1.00 12.64 N ATOM 913 CA VAL A 896 33.985 31.028 26.940 1.00 10.85 C ATOM 914 C VAL A 896 33.548 31.804 25.698 1.00 11.17 C ATOM 915 O VAL A 896 33.431 33.034 25.747 1.00 11.65 O ATOM 916 CB VAL A 896 35.521 30.961 27.076 1.00 15.97 C ATOM 917 CG1 VAL A 896 36.160 32.305 26.867 1.00 19.64 C ATOM 918 CG2 VAL A 896 35.905 30.420 28.442 1.00 20.09 C ATOM 919 H VAL A 896 34.083 28.861 26.915 1.00 0.00 H ATOM 920 N ASN A 897 33.271 31.119 24.584 1.00 10.58 N ATOM 921 CA ASN A 897 32.881 31.776 23.340 1.00 11.53 C ATOM 922 C ASN A 897 31.382 31.622 23.041 1.00 12.92 C ATOM 923 O ASN A 897 30.964 31.677 21.884 1.00 12.39 O ATOM 924 CB ASN A 897 33.728 31.238 22.178 1.00 12.08 C ATOM 925 CG ASN A 897 35.167 31.701 22.249 1.00 14.19 C ATOM 926 OD1 ASN A 897 35.435 32.904 22.356 1.00 14.60 O ATOM 927 ND2 ASN A 897 36.104 30.752 22.208 1.00 16.30 N ATOM 928 HD22 ASN A 897 35.829 29.753 22.117 1.00 0.00 H ATOM 929 HD21 ASN A 897 37.109 31.011 22.267 1.00 0.00 H ATOM 930 H ASN A 897 33.336 30.081 24.604 1.00 0.00 H ATOM 931 N ALA A 898 30.565 31.450 24.082 1.00 10.55 N ATOM 932 CA ALA A 898 29.112 31.385 23.922 1.00 9.89 C ATOM 933 C ALA A 898 28.579 32.645 23.241 1.00 10.21 C ATOM 934 O ALA A 898 29.088 33.744 23.458 1.00 10.15 O ATOM 935 CB ALA A 898 28.465 31.232 25.293 1.00 11.43 C ATOM 936 H ALA A 898 30.973 31.360 25.034 1.00 0.00 H ATOM 937 N THR A 899 27.540 32.490 22.419 1.00 8.82 N ATOM 938 CA THR A 899 26.966 33.614 21.686 1.00 9.27 C ATOM 939 C THR A 899 25.503 33.800 22.057 1.00 9.75 C ATOM 940 O THR A 899 24.748 32.821 22.177 1.00 11.60 O ATOM 941 CB THR A 899 27.112 33.430 20.163 1.00 11.79 C ATOM 942 OG1 THR A 899 26.632 32.128 19.794 1.00 13.35 O ATOM 943 CG2 THR A 899 28.573 33.536 19.764 1.00 13.56 C ATOM 944 HG1 THR A 899 25.679 32.045 20.049 1.00 0.00 H ATOM 945 H THR A 899 27.128 31.543 22.297 1.00 0.00 H ATOM 946 N ASP A 900 25.110 35.063 22.256 1.00 9.95 N ATOM 947 CA ASP A 900 23.735 35.414 22.588 1.00 10.26 C ATOM 948 C ASP A 900 22.930 35.587 21.296 1.00 11.56 C ATOM 949 O ASP A 900 23.391 35.245 20.202 1.00 10.45 O ATOM 950 CB ASP A 900 23.707 36.641 23.522 1.00 10.59 C ATOM 951 CG ASP A 900 23.845 37.992 22.794 1.00 13.29 C ATOM 952 OD1 ASP A 900 24.208 38.036 21.599 1.00 10.18 O ATOM 953 OD2 ASP A 900 23.595 39.047 23.439 1.00 12.17 O ATOM 954 H ASP A 900 25.813 35.824 22.170 1.00 0.00 H ATOM 955 N LYS A 901 21.721 36.135 21.420 1.00 11.88 N ATOM 956 CA LYS A 901 20.809 36.227 20.283 1.00 13.41 C ATOM 957 C LYS A 901 21.356 37.131 19.179 1.00 12.83 C ATOM 958 O LYS A 901 21.023 36.932 18.003 1.00 16.61 O ATOM 959 CB LYS A 901 19.445 36.702 20.798 1.00 20.27 C ATOM 960 CG LYS A 901 18.606 37.565 19.873 1.00 27.91 C ATOM 961 CD LYS A 901 17.347 38.037 20.613 1.00 27.11 C ATOM 962 CE LYS A 901 16.425 38.844 19.710 1.00 32.82 C ATOM 963 NZ LYS A 901 15.154 39.170 20.421 1.00 32.06 N ATOM 964 HZ1 LYS A 901 14.675 38.288 20.694 1.00 0.00 H ATOM 965 HZ2 LYS A 901 15.368 39.728 21.273 1.00 0.00 H ATOM 966 HZ3 LYS A 901 14.537 39.721 19.790 1.00 0.00 H ATOM 967 H LYS A 901 21.421 36.504 22.345 1.00 0.00 H ATOM 968 N TRP A 902 22.213 38.101 19.522 1.00 10.65 N ATOM 969 CA TRP A 902 22.872 38.976 18.557 1.00 11.45 C ATOM 970 C TRP A 902 24.284 38.512 18.242 1.00 10.34 C ATOM 971 O TRP A 902 25.054 39.271 17.649 1.00 10.55 O ATOM 972 CB TRP A 902 22.921 40.412 19.086 1.00 14.75 C ATOM 973 CG TRP A 902 21.566 41.059 19.166 1.00 19.56 C ATOM 974 CD1 TRP A 902 20.981 41.854 18.224 1.00 27.25 C ATOM 975 CD2 TRP A 902 20.626 40.956 20.244 1.00 17.38 C ATOM 976 NE1 TRP A 902 19.735 42.252 18.647 1.00 35.25 N ATOM 977 CE2 TRP A 902 19.495 41.715 19.886 1.00 23.46 C ATOM 978 CE3 TRP A 902 20.631 40.291 21.469 1.00 20.51 C ATOM 979 CZ2 TRP A 902 18.380 41.830 20.713 1.00 31.05 C ATOM 980 CZ3 TRP A 902 19.523 40.410 22.294 1.00 23.29 C ATOM 981 CH2 TRP A 902 18.412 41.170 21.909 1.00 28.33 C ATOM 982 HE1 TRP A 902 19.081 42.861 18.115 1.00 0.00 H ATOM 983 H TRP A 902 22.421 38.239 20.532 1.00 0.00 H ATOM 984 N ALA A 903 24.631 37.290 18.646 1.00 8.42 N ATOM 985 CA ALA A 903 25.953 36.691 18.491 1.00 8.52 C ATOM 986 C ALA A 903 27.046 37.460 19.221 1.00 9.83 C ATOM 987 O ALA A 903 28.209 37.383 18.829 1.00 10.28 O ATOM 988 CB ALA A 903 26.333 36.526 17.016 1.00 10.05 C ATOM 989 H ALA A 903 23.899 36.716 19.110 1.00 0.00 H ATOM 990 N PHE A 904 26.703 38.166 20.304 1.00 9.19 N ATOM 991 CA PHE A 904 27.716 38.726 21.201 1.00 7.92 C ATOM 992 C PHE A 904 28.288 37.604 22.058 1.00 10.92 C ATOM 993 O PHE A 904 27.529 36.832 22.651 1.00 9.86 O ATOM 994 CB PHE A 904 27.119 39.752 22.170 1.00 9.14 C ATOM 995 CG PHE A 904 26.947 41.150 21.623 1.00 9.77 C ATOM 996 CD1 PHE A 904 26.199 41.402 20.478 1.00 12.14 C ATOM 997 CD2 PHE A 904 27.493 42.234 22.308 1.00 11.12 C ATOM 998 CE1 PHE A 904 26.019 42.714 20.019 1.00 11.01 C ATOM 999 CE2 PHE A 904 27.305 43.538 21.849 1.00 11.79 C ATOM 1000 CZ PHE A 904 26.580 43.772 20.717 1.00 11.47 C ATOM 1001 H PHE A 904 25.696 38.320 20.513 1.00 0.00 H ATOM 1002 N THR A 905 29.604 37.568 22.191 1.00 8.20 N ATOM 1003 CA THR A 905 30.281 36.689 23.138 1.00 7.85 C ATOM 1004 C THR A 905 30.533 37.438 24.436 1.00 8.17 C ATOM 1005 O THR A 905 30.376 38.663 24.496 1.00 6.86 O ATOM 1006 CB THR A 905 31.619 36.218 22.577 1.00 12.34 C ATOM 1007 OG1 THR A 905 32.482 37.361 22.428 1.00 10.15 O ATOM 1008 CG2 THR A 905 31.441 35.461 21.262 1.00 10.01 C ATOM 1009 HG1 THR A 905 32.065 38.009 21.807 1.00 0.00 H ATOM 1010 H THR A 905 30.181 38.194 21.594 1.00 0.00 H ATOM 1011 N PRO A 906 30.946 36.739 25.500 1.00 8.24 N ATOM 1012 CA PRO A 906 31.369 37.462 26.710 1.00 8.34 C ATOM 1013 C PRO A 906 32.501 38.442 26.451 1.00 9.01 C ATOM 1014 O PRO A 906 32.527 39.511 27.072 1.00 7.86 O ATOM 1015 CB PRO A 906 31.766 36.332 27.669 1.00 9.27 C ATOM 1016 CG PRO A 906 30.816 35.190 27.257 1.00 9.32 C ATOM 1017 CD PRO A 906 30.803 35.290 25.753 1.00 9.32 C ATOM 1018 N LEU A 907 33.390 38.158 25.494 1.00 8.44 N ATOM 1019 CA LEU A 907 34.448 39.115 25.168 1.00 8.13 C ATOM 1020 C LEU A 907 33.887 40.358 24.477 1.00 9.26 C ATOM 1021 O LEU A 907 34.360 41.471 24.738 1.00 8.96 O ATOM 1022 CB LEU A 907 35.530 38.447 24.302 1.00 8.13 C ATOM 1023 CG LEU A 907 36.778 39.285 23.999 1.00 10.46 C ATOM 1024 CD1 LEU A 907 37.504 39.720 25.249 1.00 11.62 C ATOM 1025 CD2 LEU A 907 37.693 38.508 23.068 1.00 10.30 C ATOM 1026 H LEU A 907 33.330 37.256 24.980 1.00 0.00 H ATOM 1027 N HIS A 908 32.868 40.213 23.616 1.00 6.99 N ATOM 1028 CA HIS A 908 32.194 41.409 23.102 1.00 7.52 C ATOM 1029 C HIS A 908 31.678 42.257 24.247 1.00 7.73 C ATOM 1030 O HIS A 908 31.808 43.487 24.245 1.00 8.23 O ATOM 1031 CB HIS A 908 30.998 41.035 22.224 1.00 7.98 C ATOM 1032 CG HIS A 908 31.350 40.575 20.842 1.00 7.85 C ATOM 1033 ND1 HIS A 908 31.338 39.241 20.479 1.00 8.65 N ATOM 1034 CD2 HIS A 908 31.651 41.268 19.721 1.00 8.81 C ATOM 1035 CE1 HIS A 908 31.644 39.138 19.197 1.00 10.51 C ATOM 1036 NE2 HIS A 908 31.849 40.351 18.719 1.00 9.72 N ATOM 1037 H HIS A 908 32.561 39.265 23.318 1.00 0.00 H ATOM 1038 N GLU A 909 31.043 41.602 25.223 1.00 7.00 N ATOM 1039 CA GLU A 909 30.423 42.313 26.331 1.00 9.26 C ATOM 1040 C GLU A 909 31.466 43.040 27.178 1.00 8.55 C ATOM 1041 O GLU A 909 31.333 44.241 27.444 1.00 10.92 O ATOM 1042 CB GLU A 909 29.622 41.318 27.165 1.00 14.67 C ATOM 1043 CG GLU A 909 28.695 41.947 28.147 1.00 18.33 C ATOM 1044 CD GLU A 909 27.576 42.775 27.506 1.00 16.75 C ATOM 1045 OE1 GLU A 909 27.193 42.523 26.346 1.00 19.69 O ATOM 1046 OE2 GLU A 909 27.054 43.677 28.186 1.00 24.49 O ATOM 1047 H GLU A 909 30.991 40.564 25.190 1.00 0.00 H ATOM 1048 N ALA A 910 32.512 42.328 27.613 1.00 8.85 N ATOM 1049 CA ALA A 910 33.576 42.956 28.402 1.00 8.77 C ATOM 1050 C ALA A 910 34.265 44.074 27.635 1.00 8.67 C ATOM 1051 O ALA A 910 34.615 45.109 28.219 1.00 10.19 O ATOM 1052 CB ALA A 910 34.609 41.912 28.830 1.00 8.37 C ATOM 1053 H ALA A 910 32.571 41.314 27.388 1.00 0.00 H ATOM 1054 N ALA A 911 34.519 43.868 26.343 1.00 8.26 N ATOM 1055 CA ALA A 911 35.175 44.909 25.550 1.00 7.82 C ATOM 1056 C ALA A 911 34.304 46.150 25.446 1.00 8.48 C ATOM 1057 O ALA A 911 34.792 47.276 25.610 1.00 10.20 O ATOM 1058 CB ALA A 911 35.517 44.383 24.152 1.00 9.19 C ATOM 1059 H ALA A 911 34.251 42.967 25.898 1.00 0.00 H ATOM 1060 N GLN A 912 33.011 45.969 25.157 1.00 8.15 N ATOM 1061 CA GLN A 912 32.125 47.119 25.011 1.00 8.82 C ATOM 1062 C GLN A 912 31.976 47.860 26.329 1.00 10.14 C ATOM 1063 O GLN A 912 31.947 49.094 26.350 1.00 11.12 O ATOM 1064 CB GLN A 912 30.766 46.659 24.489 1.00 9.37 C ATOM 1065 CG GLN A 912 29.781 47.791 24.253 1.00 10.46 C ATOM 1066 CD GLN A 912 28.535 47.317 23.554 1.00 12.63 C ATOM 1067 OE1 GLN A 912 27.788 46.500 24.088 1.00 16.47 O ATOM 1068 NE2 GLN A 912 28.312 47.808 22.339 1.00 15.03 N ATOM 1069 HE22 GLN A 912 28.973 48.498 21.928 1.00 0.00 H ATOM 1070 HE21 GLN A 912 27.477 47.502 21.800 1.00 0.00 H ATOM 1071 H GLN A 912 32.636 45.006 25.036 1.00 0.00 H ATOM 1072 N LYS A 913 31.904 47.130 27.441 1.00 9.72 N ATOM 1073 CA LYS A 913 31.650 47.767 28.727 1.00 8.59 C ATOM 1074 C LYS A 913 32.923 48.213 29.443 1.00 10.87 C ATOM 1075 O LYS A 913 32.832 48.722 30.569 1.00 12.28 O ATOM 1076 CB LYS A 913 30.842 46.827 29.635 1.00 12.76 C ATOM 1077 CG LYS A 913 29.463 46.384 29.090 1.00 16.63 C ATOM 1078 CD LYS A 913 28.636 47.501 28.505 1.00 29.06 C ATOM 1079 CE LYS A 913 27.227 47.021 28.116 1.00 28.54 C ATOM 1080 NZ LYS A 913 27.145 46.002 27.007 1.00 24.01 N ATOM 1081 HZ1 LYS A 913 27.559 46.401 26.140 1.00 0.00 H ATOM 1082 HZ2 LYS A 913 27.671 45.148 27.283 1.00 0.00 H ATOM 1083 HZ3 LYS A 913 26.149 45.757 26.836 1.00 0.00 H ATOM 1084 H LYS A 913 32.030 46.099 27.391 1.00 0.00 H ATOM 1085 N GLY A 914 34.094 48.059 28.834 1.00 9.89 N ATOM 1086 CA GLY A 914 35.315 48.595 29.414 1.00 10.82 C ATOM 1087 C GLY A 914 35.946 47.762 30.510 1.00 13.13 C ATOM 1088 O GLY A 914 36.671 48.303 31.357 1.00 14.43 O ATOM 1089 H GLY A 914 34.138 47.548 27.929 1.00 0.00 H ATOM 1090 N ARG A 915 35.703 46.450 30.522 1.00 10.40 N ATOM 1091 CA ARG A 915 36.139 45.600 31.624 1.00 10.47 C ATOM 1092 C ARG A 915 37.471 44.940 31.260 1.00 10.93 C ATOM 1093 O ARG A 915 37.529 43.815 30.776 1.00 12.10 O ATOM 1094 CB ARG A 915 35.049 44.579 31.946 1.00 8.95 C ATOM 1095 CG ARG A 915 33.649 45.172 32.104 1.00 11.08 C ATOM 1096 CD ARG A 915 33.571 46.274 33.185 1.00 10.71 C ATOM 1097 NE ARG A 915 32.176 46.621 33.465 1.00 10.32 N ATOM 1098 CZ ARG A 915 31.771 47.439 34.434 1.00 11.35 C ATOM 1099 NH1 ARG A 915 32.646 48.029 35.233 1.00 11.79 N ATOM 1100 NH2 ARG A 915 30.480 47.669 34.603 1.00 13.12 N ATOM 1101 HE ARG A 915 31.445 46.195 32.860 1.00 0.00 H ATOM 1102 HH12 ARG A 915 32.316 48.666 35.986 1.00 0.00 H ATOM 1103 HH11 ARG A 915 33.664 47.856 35.108 1.00 0.00 H ATOM 1104 HH22 ARG A 915 30.160 48.308 35.359 1.00 0.00 H ATOM 1105 HH21 ARG A 915 29.784 47.211 33.980 1.00 0.00 H ATOM 1106 H ARG A 915 35.189 46.023 29.725 1.00 0.00 H ATOM 1107 N THR A 916 38.572 45.671 31.507 1.00 10.84 N ATOM 1108 CA THR A 916 39.877 45.275 30.976 1.00 10.27 C ATOM 1109 C THR A 916 40.365 43.935 31.535 1.00 10.79 C ATOM 1110 O THR A 916 40.800 43.063 30.776 1.00 12.96 O ATOM 1111 CB THR A 916 40.900 46.368 31.270 1.00 13.09 C ATOM 1112 OG1 THR A 916 40.340 47.624 30.865 1.00 13.56 O ATOM 1113 CG2 THR A 916 42.181 46.105 30.488 1.00 16.69 C ATOM 1114 HG1 THR A 916 40.990 48.348 31.048 1.00 0.00 H ATOM 1115 H THR A 916 38.495 46.532 32.085 1.00 0.00 H ATOM 1116 N GLN A 917 40.338 43.763 32.856 1.00 13.92 N ATOM 1117 CA GLN A 917 40.857 42.512 33.418 1.00 12.06 C ATOM 1118 C GLN A 917 40.002 41.323 33.010 1.00 12.05 C ATOM 1119 O GLN A 917 40.536 40.225 32.801 1.00 14.46 O ATOM 1120 CB GLN A 917 40.957 42.583 34.938 1.00 15.25 C ATOM 1121 CG GLN A 917 42.034 43.551 35.426 1.00 21.82 C ATOM 1122 CD GLN A 917 41.900 43.847 36.902 1.00 39.26 C ATOM 1123 OE1 GLN A 917 41.408 43.017 37.668 1.00 32.82 O ATOM 1124 NE2 GLN A 917 42.316 45.044 37.308 1.00 32.92 N ATOM 1125 HE22 GLN A 917 42.725 45.712 36.624 1.00 0.00 H ATOM 1126 HE21 GLN A 917 42.232 45.312 38.309 1.00 0.00 H ATOM 1127 H GLN A 917 39.955 44.503 33.478 1.00 0.00 H ATOM 1128 N LEU A 918 38.692 41.539 32.840 1.00 11.55 N ATOM 1129 CA LEU A 918 37.816 40.483 32.348 1.00 14.20 C ATOM 1130 C LEU A 918 38.170 40.115 30.910 1.00 12.42 C ATOM 1131 O LEU A 918 38.209 38.930 30.553 1.00 12.59 O ATOM 1132 CB LEU A 918 36.361 40.937 32.453 1.00 14.21 C ATOM 1133 CG LEU A 918 35.300 39.948 32.974 1.00 17.71 C ATOM 1134 CD1 LEU A 918 35.094 38.790 32.002 1.00 17.84 C ATOM 1135 CD2 LEU A 918 35.684 39.434 34.332 1.00 20.57 C ATOM 1136 H LEU A 918 38.294 42.474 33.062 1.00 0.00 H ATOM 1137 N CYS A 919 38.447 41.114 30.070 1.00 10.65 N ATOM 1138 CA CYS A 919 38.934 40.823 28.725 1.00 10.23 C ATOM 1139 C CYS A 919 40.181 39.948 28.774 1.00 10.45 C ATOM 1140 O CYS A 919 40.287 38.959 28.041 1.00 11.36 O ATOM 1141 CB CYS A 919 39.241 42.118 27.966 1.00 9.93 C ATOM 1142 SG CYS A 919 37.794 43.042 27.414 1.00 12.62 S ATOM 1143 H CYS A 919 38.316 42.100 30.374 1.00 0.00 H ATOM 1144 N ALA A 920 41.158 40.317 29.613 1.00 12.79 N ATOM 1145 CA ALA A 920 42.394 39.540 29.649 1.00 11.99 C ATOM 1146 C ALA A 920 42.138 38.115 30.130 1.00 11.83 C ATOM 1147 O ALA A 920 42.680 37.161 29.561 1.00 15.23 O ATOM 1148 CB ALA A 920 43.437 40.227 30.533 1.00 16.60 C ATOM 1149 H ALA A 920 41.038 41.145 30.230 1.00 0.00 H ATOM 1150 N LEU A 921 41.293 37.957 31.155 1.00 11.82 N ATOM 1151 CA LEU A 921 40.935 36.623 31.646 1.00 14.28 C ATOM 1152 C LEU A 921 40.299 35.786 30.547 1.00 14.99 C ATOM 1153 O LEU A 921 40.647 34.614 30.350 1.00 12.22 O ATOM 1154 CB LEU A 921 39.980 36.747 32.829 1.00 12.11 C ATOM 1155 CG LEU A 921 39.256 35.482 33.327 1.00 18.34 C ATOM 1156 CD1 LEU A 921 40.229 34.466 33.911 1.00 23.56 C ATOM 1157 CD2 LEU A 921 38.212 35.848 34.366 1.00 27.66 C ATOM 1158 H LEU A 921 40.882 38.796 31.612 1.00 0.00 H ATOM 1159 N LEU A 922 39.335 36.367 29.834 1.00 11.77 N ATOM 1160 CA LEU A 922 38.674 35.605 28.783 1.00 10.49 C ATOM 1161 C LEU A 922 39.670 35.181 27.715 1.00 11.82 C ATOM 1162 O LEU A 922 39.640 34.035 27.251 1.00 12.88 O ATOM 1163 CB LEU A 922 37.528 36.418 28.175 1.00 10.50 C ATOM 1164 CG LEU A 922 36.309 36.664 29.069 1.00 10.25 C ATOM 1165 CD1 LEU A 922 35.389 37.757 28.496 1.00 8.96 C ATOM 1166 CD2 LEU A 922 35.502 35.365 29.239 1.00 12.56 C ATOM 1167 H LEU A 922 39.058 37.351 30.025 1.00 0.00 H ATOM 1168 N LEU A 923 40.559 36.095 27.303 1.00 13.35 N ATOM 1169 CA LEU A 923 41.559 35.741 26.299 1.00 10.97 C ATOM 1170 C LEU A 923 42.478 34.628 26.797 1.00 11.30 C ATOM 1171 O LEU A 923 42.862 33.743 26.022 1.00 14.38 O ATOM 1172 CB LEU A 923 42.378 36.971 25.908 1.00 12.52 C ATOM 1173 CG LEU A 923 41.611 38.064 25.150 1.00 13.78 C ATOM 1174 CD1 LEU A 923 42.359 39.408 25.230 1.00 13.57 C ATOM 1175 CD2 LEU A 923 41.397 37.639 23.719 1.00 14.35 C ATOM 1176 H LEU A 923 40.537 37.057 27.698 1.00 0.00 H ATOM 1177 N ALA A 924 42.861 34.673 28.069 1.00 12.93 N ATOM 1178 CA ALA A 924 43.736 33.636 28.606 1.00 15.34 C ATOM 1179 C ALA A 924 43.066 32.272 28.617 1.00 18.76 C ATOM 1180 O ALA A 924 43.760 31.252 28.707 1.00 19.14 O ATOM 1181 CB ALA A 924 44.180 34.007 30.014 1.00 12.39 C ATOM 1182 H ALA A 924 42.537 35.448 28.682 1.00 0.00 H ATOM 1183 N HIS A 925 41.735 32.228 28.546 1.00 15.28 N ATOM 1184 CA HIS A 925 40.989 30.975 28.520 1.00 17.01 C ATOM 1185 C HIS A 925 40.412 30.666 27.143 1.00 13.19 C ATOM 1186 O HIS A 925 39.421 29.935 27.039 1.00 19.41 O ATOM 1187 CB HIS A 925 39.876 30.997 29.567 1.00 14.33 C ATOM 1188 CG HIS A 925 40.370 30.848 30.967 1.00 18.75 C ATOM 1189 ND1 HIS A 925 40.731 29.629 31.500 1.00 19.60 N ATOM 1190 CD2 HIS A 925 40.570 31.761 31.944 1.00 18.05 C ATOM 1191 CE1 HIS A 925 41.131 29.798 32.746 1.00 17.00 C ATOM 1192 NE2 HIS A 925 41.053 31.084 33.038 1.00 22.68 N ATOM 1193 H HIS A 925 41.208 33.124 28.508 1.00 0.00 H ATOM 1194 N GLY A 926 40.998 31.213 26.083 1.00 13.97 N ATOM 1195 CA GLY A 926 40.624 30.844 24.741 1.00 15.41 C ATOM 1196 C GLY A 926 39.525 31.660 24.099 1.00 14.78 C ATOM 1197 O GLY A 926 38.999 31.246 23.063 1.00 14.96 O ATOM 1198 H GLY A 926 41.744 31.924 26.225 1.00 0.00 H ATOM 1199 N ALA A 927 39.160 32.806 24.661 1.00 12.61 N ATOM 1200 CA ALA A 927 38.209 33.651 23.953 1.00 13.07 C ATOM 1201 C ALA A 927 38.814 34.100 22.629 1.00 14.43 C ATOM 1202 O ALA A 927 40.000 34.437 22.556 1.00 16.33 O ATOM 1203 CB ALA A 927 37.816 34.860 24.801 1.00 14.86 C ATOM 1204 H ALA A 927 39.544 33.093 25.584 1.00 0.00 H ATOM 1205 N ASP A 928 37.987 34.106 21.584 1.00 12.65 N ATOM 1206 CA ASP A 928 38.429 34.328 20.216 1.00 11.20 C ATOM 1207 C ASP A 928 38.140 35.772 19.837 1.00 12.01 C ATOM 1208 O ASP A 928 36.972 36.115 19.588 1.00 12.69 O ATOM 1209 CB ASP A 928 37.707 33.374 19.269 1.00 14.36 C ATOM 1210 CG ASP A 928 38.177 33.489 17.842 1.00 15.00 C ATOM 1211 OD1 ASP A 928 38.862 34.477 17.501 1.00 15.81 O ATOM 1212 OD2 ASP A 928 37.846 32.572 17.059 1.00 19.02 O ATOM 1213 H ASP A 928 36.974 33.944 21.755 1.00 0.00 H ATOM 1214 N PRO A 929 39.147 36.647 19.761 1.00 11.16 N ATOM 1215 CA PRO A 929 38.879 38.062 19.464 1.00 13.46 C ATOM 1216 C PRO A 929 38.509 38.337 18.011 1.00 14.58 C ATOM 1217 O PRO A 929 38.227 39.501 17.666 1.00 12.89 O ATOM 1218 CB PRO A 929 40.207 38.746 19.829 1.00 14.31 C ATOM 1219 CG PRO A 929 41.239 37.689 19.513 1.00 12.48 C ATOM 1220 CD PRO A 929 40.586 36.387 19.978 1.00 13.07 C ATOM 1221 N THR A 930 38.503 37.324 17.141 1.00 13.98 N ATOM 1222 CA THR A 930 38.123 37.530 15.750 1.00 13.45 C ATOM 1223 C THR A 930 36.639 37.290 15.510 1.00 14.48 C ATOM 1224 O THR A 930 36.167 37.476 14.387 1.00 14.57 O ATOM 1225 CB THR A 930 38.958 36.631 14.807 1.00 15.61 C ATOM 1226 OG1 THR A 930 38.552 35.260 14.930 1.00 16.46 O ATOM 1227 CG2 THR A 930 40.439 36.752 15.139 1.00 17.11 C ATOM 1228 HG1 THR A 930 38.686 34.960 15.864 1.00 0.00 H ATOM 1229 H THR A 930 38.774 36.373 17.462 1.00 0.00 H ATOM 1230 N MET A 931 35.885 36.898 16.537 1.00 11.51 N ATOM 1231 CA MET A 931 34.468 36.610 16.343 1.00 10.18 C ATOM 1232 C MET A 931 33.677 37.891 16.086 1.00 11.64 C ATOM 1233 O MET A 931 33.815 38.882 16.816 1.00 12.03 O ATOM 1234 CB MET A 931 33.924 35.870 17.560 1.00 8.89 C ATOM 1235 CG MET A 931 34.479 34.448 17.675 1.00 12.34 C ATOM 1236 SD MET A 931 33.920 33.524 19.128 1.00 12.39 S ATOM 1237 CE MET A 931 32.207 33.179 18.709 1.00 11.00 C ATOM 1238 H MET A 931 36.309 36.797 17.481 1.00 0.00 H ATOM 1239 N LYS A 932 32.867 37.880 15.027 1.00 10.80 N ATOM 1240 CA LYS A 932 31.990 38.992 14.690 1.00 8.43 C ATOM 1241 C LYS A 932 30.575 38.695 15.165 1.00 10.26 C ATOM 1242 O LYS A 932 30.090 37.568 15.040 1.00 11.28 O ATOM 1243 CB LYS A 932 32.001 39.261 13.182 1.00 9.92 C ATOM 1244 CG LYS A 932 33.367 39.758 12.749 1.00 11.03 C ATOM 1245 CD LYS A 932 33.447 40.007 11.268 1.00 14.21 C ATOM 1246 CE LYS A 932 34.670 40.833 10.973 1.00 22.13 C ATOM 1247 NZ LYS A 932 34.801 41.047 9.525 1.00 24.33 N ATOM 1248 HZ1 LYS A 932 34.887 40.128 9.046 1.00 0.00 H ATOM 1249 HZ2 LYS A 932 33.959 41.546 9.172 1.00 0.00 H ATOM 1250 HZ3 LYS A 932 35.649 41.618 9.336 1.00 0.00 H ATOM 1251 H LYS A 932 32.861 37.040 14.414 1.00 0.00 H ATOM 1252 N ASN A 933 29.912 39.706 15.723 1.00 9.39 N ATOM 1253 CA ASN A 933 28.512 39.553 16.090 1.00 10.99 C ATOM 1254 C ASN A 933 27.638 39.620 14.825 1.00 9.79 C ATOM 1255 O ASN A 933 28.121 39.658 13.683 1.00 8.97 O ATOM 1256 CB ASN A 933 28.143 40.582 17.171 1.00 9.92 C ATOM 1257 CG ASN A 933 28.220 42.021 16.671 1.00 10.61 C ATOM 1258 OD1 ASN A 933 28.322 42.269 15.476 1.00 10.68 O ATOM 1259 ND2 ASN A 933 28.170 42.987 17.599 1.00 12.59 N ATOM 1260 HD22 ASN A 933 28.083 42.738 18.605 1.00 0.00 H ATOM 1261 HD21 ASN A 933 28.218 43.986 17.313 1.00 0.00 H ATOM 1262 H ASN A 933 30.397 40.609 15.897 1.00 0.00 H ATOM 1263 N GLN A 934 26.318 39.610 15.010 1.00 11.09 N ATOM 1264 CA GLN A 934 25.405 39.567 13.871 1.00 10.71 C ATOM 1265 C GLN A 934 25.580 40.778 12.955 1.00 16.02 C ATOM 1266 O GLN A 934 25.314 40.692 11.748 1.00 15.29 O ATOM 1267 CB GLN A 934 23.969 39.458 14.396 1.00 12.42 C ATOM 1268 CG GLN A 934 22.891 39.358 13.333 1.00 13.97 C ATOM 1269 CD GLN A 934 21.543 38.962 13.902 1.00 16.05 C ATOM 1270 OE1 GLN A 934 21.454 38.386 14.993 1.00 17.55 O ATOM 1271 NE2 GLN A 934 20.480 39.266 13.164 1.00 15.91 N ATOM 1272 HE22 GLN A 934 20.602 39.751 12.252 1.00 0.00 H ATOM 1273 HE21 GLN A 934 19.527 39.019 13.499 1.00 0.00 H ATOM 1274 H GLN A 934 25.934 39.633 15.976 1.00 0.00 H ATOM 1275 N GLU A 935 26.013 41.915 13.506 1.00 11.61 N ATOM 1276 CA GLU A 935 26.257 43.143 12.748 1.00 13.68 C ATOM 1277 C GLU A 935 27.647 43.204 12.115 1.00 12.41 C ATOM 1278 O GLU A 935 27.978 44.210 11.469 1.00 19.42 O ATOM 1279 CB GLU A 935 26.054 44.364 13.653 1.00 17.31 C ATOM 1280 CG GLU A 935 24.633 44.481 14.181 1.00 25.25 C ATOM 1281 CD GLU A 935 23.617 44.687 13.074 1.00 38.37 C ATOM 1282 OE1 GLU A 935 23.947 45.372 12.080 1.00 41.80 O ATOM 1283 OE2 GLU A 935 22.492 44.154 13.190 1.00 46.44 O ATOM 1284 H GLU A 935 26.187 41.929 14.531 1.00 0.00 H ATOM 1285 N GLY A 936 28.471 42.174 12.274 1.00 10.22 N ATOM 1286 CA GLY A 936 29.793 42.178 11.685 1.00 10.92 C ATOM 1287 C GLY A 936 30.885 42.777 12.539 1.00 11.87 C ATOM 1288 O GLY A 936 31.968 43.054 12.015 1.00 13.09 O ATOM 1289 H GLY A 936 28.161 41.352 12.831 1.00 0.00 H ATOM 1290 N GLN A 937 30.638 42.990 13.833 1.00 10.90 N ATOM 1291 CA GLN A 937 31.574 43.713 14.692 1.00 9.06 C ATOM 1292 C GLN A 937 32.340 42.738 15.571 1.00 10.42 C ATOM 1293 O GLN A 937 31.737 41.870 16.205 1.00 9.69 O ATOM 1294 CB GLN A 937 30.844 44.722 15.585 1.00 11.06 C ATOM 1295 CG GLN A 937 29.982 45.726 14.850 1.00 14.32 C ATOM 1296 CD GLN A 937 29.013 46.422 15.788 1.00 19.34 C ATOM 1297 OE1 GLN A 937 28.191 45.780 16.463 1.00 20.13 O ATOM 1298 NE2 GLN A 937 29.097 47.743 15.837 1.00 23.75 N ATOM 1299 HE22 GLN A 937 29.800 48.241 15.255 1.00 0.00 H ATOM 1300 HE21 GLN A 937 28.460 48.282 16.458 1.00 0.00 H ATOM 1301 H GLN A 937 29.752 42.631 14.243 1.00 0.00 H ATOM 1302 N THR A 938 33.665 42.880 15.602 1.00 9.24 N ATOM 1303 CA THR A 938 34.512 42.176 16.558 1.00 9.81 C ATOM 1304 C THR A 938 34.427 42.862 17.913 1.00 8.09 C ATOM 1305 O THR A 938 33.922 43.987 18.014 1.00 9.50 O ATOM 1306 CB THR A 938 35.967 42.193 16.107 1.00 11.96 C ATOM 1307 OG1 THR A 938 36.389 43.559 15.981 1.00 11.98 O ATOM 1308 CG2 THR A 938 36.155 41.456 14.782 1.00 11.57 C ATOM 1309 HG1 THR A 938 37.334 43.585 15.688 1.00 0.00 H ATOM 1310 H THR A 938 34.114 43.520 14.916 1.00 0.00 H ATOM 1311 N PRO A 939 34.933 42.221 18.983 1.00 9.32 N ATOM 1312 CA PRO A 939 35.048 42.956 20.258 1.00 7.72 C ATOM 1313 C PRO A 939 35.843 44.255 20.110 1.00 8.62 C ATOM 1314 O PRO A 939 35.449 45.278 20.690 1.00 9.20 O ATOM 1315 CB PRO A 939 35.737 41.934 21.179 1.00 8.15 C ATOM 1316 CG PRO A 939 35.254 40.584 20.642 1.00 10.01 C ATOM 1317 CD PRO A 939 35.282 40.790 19.143 1.00 9.15 C ATOM 1318 N LEU A 940 36.925 44.252 19.317 1.00 9.12 N ATOM 1319 CA LEU A 940 37.679 45.487 19.088 1.00 10.71 C ATOM 1320 C LEU A 940 36.802 46.578 18.478 1.00 11.55 C ATOM 1321 O LEU A 940 36.883 47.749 18.881 1.00 11.17 O ATOM 1322 CB LEU A 940 38.893 45.207 18.199 1.00 12.38 C ATOM 1323 CG LEU A 940 39.700 46.458 17.829 1.00 14.05 C ATOM 1324 CD1 LEU A 940 40.396 47.065 19.046 1.00 12.57 C ATOM 1325 CD2 LEU A 940 40.728 46.108 16.760 1.00 13.97 C ATOM 1326 H LEU A 940 37.230 43.368 18.862 1.00 0.00 H ATOM 1327 N ASP A 941 35.940 46.218 17.522 1.00 9.58 N ATOM 1328 CA ASP A 941 35.052 47.206 16.911 1.00 10.32 C ATOM 1329 C ASP A 941 34.151 47.881 17.947 1.00 11.18 C ATOM 1330 O ASP A 941 33.748 49.037 17.768 1.00 12.77 O ATOM 1331 CB ASP A 941 34.193 46.546 15.834 1.00 10.71 C ATOM 1332 CG ASP A 941 34.988 46.117 14.606 1.00 16.34 C ATOM 1333 OD1 ASP A 941 36.010 46.760 14.295 1.00 19.85 O ATOM 1334 OD2 ASP A 941 34.565 45.147 13.938 1.00 14.68 O ATOM 1335 H ASP A 941 35.901 45.227 17.210 1.00 0.00 H ATOM 1336 N LEU A 942 33.829 47.186 19.041 1.00 9.91 N ATOM 1337 CA LEU A 942 32.970 47.737 20.087 1.00 10.05 C ATOM 1338 C LEU A 942 33.732 48.480 21.173 1.00 9.75 C ATOM 1339 O LEU A 942 33.098 49.130 22.013 1.00 11.53 O ATOM 1340 CB LEU A 942 32.168 46.624 20.769 1.00 10.08 C ATOM 1341 CG LEU A 942 31.328 45.741 19.856 1.00 9.83 C ATOM 1342 CD1 LEU A 942 30.586 44.693 20.669 1.00 11.24 C ATOM 1343 CD2 LEU A 942 30.356 46.580 19.095 1.00 11.33 C ATOM 1344 H LEU A 942 34.202 46.221 19.152 1.00 0.00 H ATOM 1345 N ALA A 943 35.061 48.367 21.201 1.00 11.19 N ATOM 1346 CA ALA A 943 35.869 48.932 22.272 1.00 9.91 C ATOM 1347 C ALA A 943 36.178 50.406 22.037 1.00 10.43 C ATOM 1348 O ALA A 943 36.572 50.811 20.934 1.00 12.17 O ATOM 1349 CB ALA A 943 37.175 48.151 22.405 1.00 10.57 C ATOM 1350 H ALA A 943 35.537 47.857 20.430 1.00 0.00 H ATOM 1351 N THR A 944 36.024 51.199 23.091 1.00 9.54 N ATOM 1352 CA THR A 944 36.338 52.620 23.056 1.00 9.52 C ATOM 1353 C THR A 944 37.474 53.024 23.989 1.00 9.69 C ATOM 1354 O THR A 944 37.992 54.142 23.854 1.00 11.67 O ATOM 1355 CB THR A 944 35.080 53.439 23.392 1.00 10.37 C ATOM 1356 OG1 THR A 944 34.530 52.974 24.644 1.00 12.17 O ATOM 1357 CG2 THR A 944 34.035 53.258 22.306 1.00 11.77 C ATOM 1358 HG1 THR A 944 34.292 52.017 24.563 1.00 0.00 H ATOM 1359 H THR A 944 35.665 50.789 23.977 1.00 0.00 H ATOM 1360 N ALA A 945 37.880 52.173 24.931 1.00 8.69 N ATOM 1361 CA ALA A 945 38.937 52.522 25.872 1.00 8.83 C ATOM 1362 C ALA A 945 40.303 52.189 25.279 1.00 10.50 C ATOM 1363 O ALA A 945 40.481 51.139 24.660 1.00 9.95 O ATOM 1364 CB ALA A 945 38.738 51.776 27.196 1.00 11.12 C ATOM 1365 H ALA A 945 37.432 51.237 24.996 1.00 0.00 H ATOM 1366 N ASP A 946 41.281 53.081 25.497 1.00 9.50 N ATOM 1367 CA ASP A 946 42.619 52.841 24.948 1.00 10.96 C ATOM 1368 C ASP A 946 43.206 51.527 25.442 1.00 9.89 C ATOM 1369 O ASP A 946 43.848 50.807 24.673 1.00 10.89 O ATOM 1370 CB ASP A 946 43.583 53.968 25.319 1.00 12.67 C ATOM 1371 CG ASP A 946 43.364 55.220 24.514 1.00 18.00 C ATOM 1372 OD1 ASP A 946 42.676 55.146 23.469 1.00 23.23 O ATOM 1373 OD2 ASP A 946 43.893 56.290 24.923 1.00 20.74 O ATOM 1374 H ASP A 946 41.091 53.939 26.053 1.00 0.00 H ATOM 1375 N ASP A 947 43.019 51.202 26.720 1.00 9.74 N ATOM 1376 CA ASP A 947 43.681 50.008 27.241 1.00 8.19 C ATOM 1377 C ASP A 947 43.082 48.740 26.637 1.00 11.74 C ATOM 1378 O ASP A 947 43.820 47.817 26.260 1.00 13.11 O ATOM 1379 CB ASP A 947 43.666 49.997 28.782 1.00 11.78 C ATOM 1380 CG ASP A 947 42.271 49.919 29.404 1.00 12.45 C ATOM 1381 OD1 ASP A 947 41.237 50.179 28.749 1.00 11.85 O ATOM 1382 OD2 ASP A 947 42.212 49.606 30.613 1.00 13.45 O ATOM 1383 H ASP A 947 42.415 51.785 27.334 1.00 0.00 H ATOM 1384 N ILE A 948 41.763 48.697 26.468 1.00 10.15 N ATOM 1385 CA ILE A 948 41.147 47.507 25.878 1.00 10.94 C ATOM 1386 C ILE A 948 41.477 47.401 24.399 1.00 11.00 C ATOM 1387 O ILE A 948 41.724 46.300 23.889 1.00 12.78 O ATOM 1388 CB ILE A 948 39.629 47.515 26.127 1.00 11.92 C ATOM 1389 CG1 ILE A 948 39.379 47.221 27.607 1.00 17.67 C ATOM 1390 CG2 ILE A 948 38.903 46.509 25.221 1.00 12.17 C ATOM 1391 CD1 ILE A 948 37.966 46.982 27.924 1.00 19.06 C ATOM 1392 H ILE A 948 41.173 49.504 26.753 1.00 0.00 H ATOM 1393 N ARG A 949 41.494 48.528 23.676 1.00 9.60 N ATOM 1394 CA ARG A 949 41.871 48.456 22.264 1.00 10.29 C ATOM 1395 C ARG A 949 43.281 47.905 22.104 1.00 12.46 C ATOM 1396 O ARG A 949 43.523 47.063 21.230 1.00 13.50 O ATOM 1397 CB ARG A 949 41.737 49.833 21.598 1.00 10.42 C ATOM 1398 CG ARG A 949 40.278 50.310 21.463 1.00 11.42 C ATOM 1399 CD ARG A 949 40.134 51.508 20.532 1.00 11.96 C ATOM 1400 NE ARG A 949 40.468 51.147 19.160 1.00 17.45 N ATOM 1401 CZ ARG A 949 39.639 50.519 18.327 1.00 16.80 C ATOM 1402 NH1 ARG A 949 38.408 50.188 18.714 1.00 16.82 N ATOM 1403 NH2 ARG A 949 40.041 50.221 17.101 1.00 18.72 N ATOM 1404 HE ARG A 949 41.415 51.396 18.808 1.00 0.00 H ATOM 1405 HH12 ARG A 949 37.770 49.698 18.055 1.00 0.00 H ATOM 1406 HH11 ARG A 949 38.085 50.420 19.675 1.00 0.00 H ATOM 1407 HH22 ARG A 949 39.397 49.731 16.447 1.00 0.00 H ATOM 1408 HH21 ARG A 949 41.000 50.477 16.792 1.00 0.00 H ATOM 1409 H ARG A 949 41.243 49.439 24.111 1.00 0.00 H ATOM 1410 N ALA A 950 44.218 48.354 22.947 1.00 11.93 N ATOM 1411 CA ALA A 950 45.580 47.826 22.875 1.00 14.11 C ATOM 1412 C ALA A 950 45.606 46.327 23.166 1.00 17.36 C ATOM 1413 O ALA A 950 46.285 45.562 22.472 1.00 16.02 O ATOM 1414 CB ALA A 950 46.488 48.581 23.847 1.00 14.62 C ATOM 1415 H ALA A 950 43.978 49.078 23.653 1.00 0.00 H ATOM 1416 N LEU A 951 44.854 45.897 24.185 1.00 13.00 N ATOM 1417 CA LEU A 951 44.789 44.493 24.577 1.00 12.53 C ATOM 1418 C LEU A 951 44.283 43.616 23.437 1.00 12.53 C ATOM 1419 O LEU A 951 44.835 42.539 23.165 1.00 13.84 O ATOM 1420 CB LEU A 951 43.862 44.370 25.784 1.00 19.05 C ATOM 1421 CG LEU A 951 43.828 43.055 26.541 1.00 27.68 C ATOM 1422 CD1 LEU A 951 45.189 42.867 27.171 1.00 27.33 C ATOM 1423 CD2 LEU A 951 42.745 43.116 27.603 1.00 26.57 C ATOM 1424 H LEU A 951 44.293 46.591 24.719 1.00 0.00 H ATOM 1425 N LEU A 952 43.216 44.054 22.769 1.00 12.71 N ATOM 1426 CA LEU A 952 42.619 43.246 21.716 1.00 11.56 C ATOM 1427 C LEU A 952 43.463 43.270 20.454 1.00 16.54 C ATOM 1428 O LEU A 952 43.599 42.241 19.785 1.00 17.18 O ATOM 1429 CB LEU A 952 41.203 43.735 21.425 1.00 11.80 C ATOM 1430 CG LEU A 952 40.214 43.454 22.556 1.00 11.09 C ATOM 1431 CD1 LEU A 952 38.913 44.220 22.280 1.00 9.82 C ATOM 1432 CD2 LEU A 952 39.956 41.943 22.696 1.00 13.60 C ATOM 1433 H LEU A 952 42.807 44.981 23.002 1.00 0.00 H ATOM 1434 N ILE A 953 44.067 44.417 20.134 1.00 12.59 N ATOM 1435 CA ILE A 953 44.927 44.481 18.954 1.00 14.76 C ATOM 1436 C ILE A 953 46.089 43.510 19.100 1.00 17.68 C ATOM 1437 O ILE A 953 46.490 42.846 18.132 1.00 19.35 O ATOM 1438 CB ILE A 953 45.413 45.925 18.727 1.00 14.51 C ATOM 1439 CG1 ILE A 953 44.274 46.765 18.157 1.00 16.37 C ATOM 1440 CG2 ILE A 953 46.644 45.948 17.804 1.00 22.16 C ATOM 1441 CD1 ILE A 953 44.514 48.268 18.244 1.00 19.78 C ATOM 1442 H ILE A 953 43.926 45.263 20.723 1.00 0.00 H ATOM 1443 N ASP A 954 46.628 43.398 20.317 1.00 16.89 N ATOM 1444 CA ASP A 954 47.733 42.484 20.579 1.00 19.27 C ATOM 1445 C ASP A 954 47.294 41.036 20.419 1.00 22.04 C ATOM 1446 O ASP A 954 48.054 40.204 19.908 1.00 24.43 O ATOM 1447 CB ASP A 954 48.289 42.732 21.978 1.00 17.15 C ATOM 1448 CG ASP A 954 49.548 41.932 22.252 1.00 36.70 C ATOM 1449 OD1 ASP A 954 50.370 41.802 21.324 1.00 32.45 O ATOM 1450 OD2 ASP A 954 49.712 41.432 23.385 1.00 39.24 O ATOM 1451 H ASP A 954 46.251 43.976 21.095 1.00 0.00 H ATOM 1452 N ALA A 955 46.068 40.716 20.832 1.00 17.71 N ATOM 1453 CA ALA A 955 45.604 39.334 20.779 1.00 24.74 C ATOM 1454 C ALA A 955 45.137 38.916 19.393 1.00 21.51 C ATOM 1455 O ALA A 955 44.956 37.717 19.150 1.00 22.88 O ATOM 1456 CB ALA A 955 44.466 39.116 21.788 1.00 20.44 C ATOM 1457 H ALA A 955 45.436 41.458 21.195 1.00 0.00 H ATOM 1458 N MET A 956 44.932 39.824 18.524 1.00 18.98 N ATOM 1459 CA MET A 956 44.380 39.474 17.226 1.00 21.49 C ATOM 1460 C MET A 956 45.502 39.156 16.243 1.00 30.49 C ATOM 1461 O MET A 956 46.636 39.607 16.421 1.00 28.93 O ATOM 1462 CB MET A 956 43.516 40.616 16.699 1.00 23.44 C ATOM 1463 CG MET A 956 42.227 40.776 17.503 1.00 19.48 C ATOM 1464 SD MET A 956 41.368 42.321 17.174 1.00 21.91 S ATOM 1465 CE MET A 956 40.636 41.934 15.587 1.00 24.36 C ATOM 1466 H MET A 956 45.159 40.815 18.743 1.00 0.00 H ATOM 1467 N PRO A 957 45.225 38.355 15.208 1.00 25.27 N ATOM 1468 CA PRO A 957 46.293 38.026 14.256 1.00 36.79 C ATOM 1469 C PRO A 957 46.727 39.231 13.428 1.00 34.12 C ATOM 1470 O PRO A 957 46.768 39.131 12.202 1.00 52.59 O ATOM 1471 CB PRO A 957 45.653 36.955 13.372 1.00 31.24 C ATOM 1472 CG PRO A 957 44.190 37.228 13.454 1.00 32.07 C ATOM 1473 CD PRO A 957 43.951 37.703 14.856 1.00 25.20 C TER 1474 PRO A 957 HETATM 1475 O HOH 1 22.499 27.700 56.428 1.00 36.53 O HETATM 1476 O HOH 2 39.897 35.067 40.688 1.00 32.49 O HETATM 1477 O HOH 3 49.037 38.986 11.535 1.00 37.49 O HETATM 1478 O HOH 4 27.419 20.772 40.299 1.00 28.72 O HETATM 1479 O HOH 5 19.713 20.754 43.253 1.00 24.80 O HETATM 1480 O HOH 6 32.906 43.705 9.791 1.00 33.10 O HETATM 1481 O HOH 7 9.945 32.030 38.516 1.00 35.88 O HETATM 1482 O HOH 8 30.319 24.136 28.288 1.00 31.20 O HETATM 1483 O HOH 9 38.520 46.857 14.170 1.00 33.81 O HETATM 1484 O HOH 10 -0.443 27.700 50.104 1.00 35.07 O HETATM 1485 O HOH 11 18.117 20.024 39.302 1.00 33.38 O HETATM 1486 O HOH 12 35.729 44.286 11.834 1.00 29.25 O HETATM 1487 O HOH 13 20.700 18.623 43.006 1.00 20.05 O HETATM 1488 O HOH 14 18.060 30.979 23.669 1.00 35.93 O HETATM 1489 O HOH 15 41.484 27.501 36.452 1.00 37.76 O HETATM 1490 O HOH 16 35.612 38.768 8.658 1.00 19.33 O HETATM 1491 O HOH 17 14.963 26.824 33.490 1.00 26.85 O HETATM 1492 O HOH 18 13.113 43.423 28.012 1.00 37.76 O HETATM 1493 O HOH 19 39.526 31.563 15.349 1.00 32.21 O HETATM 1494 O HOH 20 20.071 23.927 49.692 1.00 14.98 O HETATM 1495 O HOH 21 24.450 43.819 28.104 1.00 24.74 O HETATM 1496 O HOH 22 34.449 51.284 18.899 1.00 27.38 O HETATM 1497 O HOH 23 42.396 33.725 23.448 1.00 21.29 O HETATM 1498 O HOH 24 32.578 41.815 8.379 1.00 31.72 O HETATM 1499 O HOH 25 28.096 30.791 32.392 1.00 12.13 O HETATM 1500 O HOH 26 14.269 41.118 44.036 1.00 29.78 O HETATM 1501 O HOH 27 46.210 42.983 15.499 1.00 29.68 O HETATM 1502 O HOH 28 29.817 29.964 20.200 1.00 35.45 O HETATM 1503 O HOH 29 26.134 46.516 17.993 1.00 32.72 O HETATM 1504 O HOH 30 40.374 54.436 22.320 1.00 17.09 O HETATM 1505 O HOH 31 32.346 51.269 27.848 1.00 14.82 O HETATM 1506 O HOH 32 26.285 46.495 31.486 1.00 32.20 O HETATM 1507 O HOH 33 22.569 35.563 16.297 1.00 24.41 O HETATM 1508 O HOH 34 20.903 24.572 28.768 1.00 38.66 O HETATM 1509 O HOH 35 14.022 40.672 49.921 1.00 26.72 O HETATM 1510 O HOH 36 27.907 29.905 19.006 1.00 22.29 O HETATM 1511 O HOH 37 23.284 42.722 47.558 1.00 33.09 O HETATM 1512 O HOH 38 18.104 42.209 37.731 1.00 30.59 O HETATM 1513 O HOH 39 16.628 32.081 25.622 1.00 33.12 O HETATM 1514 O HOH 40 6.919 28.543 49.296 1.00 32.66 O HETATM 1515 O HOH 41 8.346 35.191 47.533 1.00 26.90 O HETATM 1516 O HOH 42 42.976 52.099 18.969 1.00 32.27 O HETATM 1517 O HOH 43 25.615 42.060 45.460 1.00 26.45 O HETATM 1518 O HOH 44 38.384 44.249 14.298 1.00 19.53 O HETATM 1519 O HOH 45 18.947 39.411 16.484 1.00 35.55 O HETATM 1520 O HOH 46 24.595 44.933 30.421 1.00 27.05 O HETATM 1521 O HOH 47 35.316 26.447 30.675 1.00 19.37 O HETATM 1522 O HOH 48 25.189 45.952 23.513 1.00 26.52 O HETATM 1523 O HOH 49 24.046 32.610 19.104 1.00 27.06 O HETATM 1524 O HOH 50 37.188 38.504 12.085 1.00 20.19 O HETATM 1525 O HOH 51 10.669 23.873 44.210 1.00 19.36 O HETATM 1526 O HOH 52 14.970 43.535 43.496 1.00 31.71 O HETATM 1527 O HOH 53 19.246 35.090 17.057 1.00 32.12 O HETATM 1528 O HOH 54 11.809 21.986 37.471 1.00 30.72 O HETATM 1529 O HOH 55 37.955 27.618 27.026 1.00 38.20 O HETATM 1530 O HOH 56 20.367 38.448 32.591 1.00 11.91 O HETATM 1531 O HOH 57 10.197 26.714 44.265 1.00 21.01 O HETATM 1532 O HOH 58 34.217 35.441 24.670 1.00 12.11 O HETATM 1533 O HOH 59 33.781 38.657 40.926 1.00 21.85 O HETATM 1534 O HOH 60 38.596 41.958 18.858 1.00 13.26 O HETATM 1535 O HOH 61 34.570 35.027 48.549 1.00 35.48 O HETATM 1536 O HOH 62 27.944 35.155 47.468 1.00 16.89 O HETATM 1537 O HOH 63 23.619 27.663 26.113 1.00 21.26 O HETATM 1538 O HOH 64 11.782 19.385 46.418 1.00 20.14 O HETATM 1539 O HOH 65 14.221 23.831 49.941 1.00 12.18 O HETATM 1540 O HOH 66 46.263 40.763 24.736 1.00 18.98 O HETATM 1541 O HOH 67 32.863 50.727 24.303 1.00 11.69 O HETATM 1542 O HOH 68 10.887 37.254 30.661 1.00 17.04 O HETATM 1543 O HOH 69 38.836 50.072 30.139 1.00 17.99 O HETATM 1544 O HOH 70 36.310 50.732 32.658 1.00 27.04 O HETATM 1545 O HOH 71 14.574 38.598 23.085 1.00 36.95 O HETATM 1546 O HOH 72 45.346 51.917 22.601 1.00 20.77 O HETATM 1547 O HOH 73 22.520 42.986 45.064 1.00 25.66 O HETATM 1548 O HOH 74 39.089 29.765 35.880 1.00 24.07 O HETATM 1549 O HOH 75 14.373 36.429 49.126 1.00 18.29 O HETATM 1550 O HOH 76 24.879 32.097 24.873 1.00 14.06 O HETATM 1551 O HOH 77 35.107 51.737 27.082 1.00 16.42 O HETATM 1552 O HOH 78 36.476 47.252 11.581 1.00 36.31 O HETATM 1553 O HOH 79 46.228 47.548 27.658 1.00 21.55 O HETATM 1554 O HOH 80 14.895 24.503 37.689 1.00 18.54 O HETATM 1555 O HOH 81 9.372 43.355 31.973 1.00 33.10 O HETATM 1556 O HOH 82 27.076 36.478 49.688 1.00 22.28 O HETATM 1557 O HOH 83 20.562 28.973 38.350 1.00 10.50 O HETATM 1558 O HOH 84 19.952 20.885 37.202 1.00 39.33 O HETATM 1559 O HOH 85 33.712 43.253 40.320 1.00 18.77 O HETATM 1560 O HOH 86 27.405 27.333 52.013 1.00 33.42 O HETATM 1561 O HOH 87 4.583 23.492 46.317 1.00 31.01 O HETATM 1562 O HOH 88 25.994 22.515 38.193 1.00 22.41 O HETATM 1563 O HOH 89 37.998 23.305 36.389 1.00 35.81 O HETATM 1564 O HOH 90 17.673 46.464 42.423 1.00 43.87 O HETATM 1565 O HOH 91 43.205 26.427 40.117 1.00 32.33 O HETATM 1566 O HOH 92 30.376 49.610 31.692 1.00 13.62 O HETATM 1567 O HOH 93 36.080 49.811 25.657 1.00 9.63 O HETATM 1568 O HOH 94 51.894 40.330 24.850 1.00 32.65 O HETATM 1569 O HOH 95 31.652 38.120 45.215 1.00 30.29 O HETATM 1570 O HOH 96 37.241 56.113 21.934 1.00 18.33 O HETATM 1571 O HOH 97 30.809 35.777 47.749 1.00 18.50 O HETATM 1572 O HOH 98 30.414 49.900 21.390 1.00 20.37 O HETATM 1573 O HOH 99 15.209 32.101 28.266 1.00 31.87 O HETATM 1574 O HOH 100 21.494 28.593 35.751 1.00 14.21 O HETATM 1575 O HOH 101 40.235 27.274 29.936 1.00 30.95 O HETATM 1576 O HOH 102 24.614 38.161 10.589 1.00 15.73 O HETATM 1577 O HOH 103 23.830 34.064 54.742 1.00 14.69 O HETATM 1578 O HOH 104 11.904 37.752 42.607 1.00 24.15 O HETATM 1579 O HOH 105 27.567 23.871 48.680 1.00 21.83 O HETATM 1580 O HOH 106 30.275 35.886 17.375 1.00 11.32 O HETATM 1581 O HOH 107 3.451 23.041 48.665 1.00 34.83 O HETATM 1582 O HOH 108 18.444 27.983 28.606 1.00 24.33 O HETATM 1583 O HOH 109 21.847 28.811 21.461 1.00 36.53 O HETATM 1584 O HOH 110 13.643 34.735 24.073 1.00 32.95 O HETATM 1585 O HOH 111 29.082 22.931 30.015 1.00 41.19 O HETATM 1586 O HOH 112 11.299 26.767 48.036 1.00 25.20 O HETATM 1587 O HOH 113 21.827 32.519 21.953 1.00 20.73 O HETATM 1588 O HOH 114 9.295 36.716 37.914 1.00 33.20 O HETATM 1589 O HOH 115 31.494 20.701 45.102 1.00 31.61 O HETATM 1590 O HOH 116 26.307 23.389 34.551 1.00 17.87 O HETATM 1591 O HOH 117 45.245 37.489 28.204 1.00 18.10 O HETATM 1592 O HOH 118 35.050 35.243 12.870 1.00 25.10 O HETATM 1593 O HOH 119 10.576 26.178 39.876 1.00 21.47 O HETATM 1594 O HOH 120 26.091 45.840 9.940 1.00 29.28 O HETATM 1595 O HOH 121 36.632 39.784 41.100 1.00 29.52 O HETATM 1596 O HOH 122 20.342 28.477 55.754 1.00 20.30 O HETATM 1597 O HOH 123 28.880 23.097 35.746 1.00 27.33 O HETATM 1598 O HOH 124 30.418 45.849 11.331 1.00 33.66 O HETATM 1599 O HOH 125 10.601 29.246 36.537 1.00 24.82 O HETATM 1600 O HOH 126 9.747 39.901 27.369 1.00 23.01 O HETATM 1601 O HOH 127 26.358 47.535 20.146 1.00 30.97 O HETATM 1602 O HOH 128 34.933 35.829 21.835 1.00 18.03 O HETATM 1603 O HOH 129 28.735 41.905 46.050 1.00 31.02 O HETATM 1604 O HOH 130 25.198 35.405 52.725 1.00 13.37 O HETATM 1605 O HOH 131 37.813 48.885 15.681 1.00 26.23 O HETATM 1606 O HOH 132 34.002 28.294 24.004 1.00 31.79 O HETATM 1607 O HOH 133 28.300 47.861 32.587 1.00 18.91 O HETATM 1608 O HOH 134 35.274 27.375 26.496 1.00 22.15 O HETATM 1609 O HOH 135 7.050 33.738 41.106 1.00 28.82 O HETATM 1610 O HOH 136 35.641 49.710 13.965 1.00 35.71 O HETATM 1611 O HOH 137 1.875 35.242 47.614 1.00 36.66 O HETATM 1612 O HOH 138 10.087 30.912 32.121 1.00 30.38 O HETATM 1613 O HOH 139 22.407 15.923 40.254 1.00 27.28 O HETATM 1614 O HOH 140 26.337 29.733 22.494 1.00 19.11 O HETATM 1615 O HOH 141 11.857 16.080 45.088 1.00 36.69 O HETATM 1616 O HOH 142 16.494 22.410 36.068 1.00 28.62 O HETATM 1617 O HOH 143 16.611 30.081 60.191 1.00 30.79 O HETATM 1618 O HOH 144 10.643 37.020 40.006 1.00 32.49 O HETATM 1619 O HOH 145 7.477 31.121 39.133 1.00 36.99 O HETATM 1620 O HOH 146 43.420 53.516 21.003 1.00 30.98 O HETATM 1621 O HOH 147 30.684 49.159 37.296 1.00 18.68 O HETATM 1622 O HOH 148 30.446 44.524 42.810 1.00 31.21 O HETATM 1623 O HOH 149 48.590 43.271 25.636 1.00 36.27 O HETATM 1624 O HOH 150 19.080 22.547 44.455 1.00 27.71 O HETATM 1625 O HOH 151 4.866 29.367 50.700 1.00 37.37 O HETATM 1626 O HOH 152 36.138 41.872 40.000 1.00 24.51 O HETATM 1627 O HOH 153 32.491 47.034 12.516 1.00 33.67 O HETATM 1628 O HOH 154 10.767 30.144 30.282 1.00 37.94 O HETATM 1629 O HOH 155 24.054 46.412 26.500 1.00 30.38 O HETATM 1630 O HOH 156 18.879 22.394 47.982 1.00 21.67 O HETATM 1631 O HOH 157 39.290 23.884 39.151 1.00 29.42 O HETATM 1632 O HOH 158 21.295 40.154 25.340 1.00 20.50 O HETATM 1633 O HOH 159 30.732 38.428 47.164 1.00 28.55 O HETATM 1634 O HOH 160 28.943 50.248 26.976 1.00 32.56 O HETATM 1635 O HOH 161 21.893 48.181 33.911 1.00 38.86 O HETATM 1636 O HOH 162 25.957 25.128 55.704 1.00 36.04 O HETATM 1637 O HOH 163 15.848 41.915 39.110 1.00 40.10 O HETATM 1638 O HOH 164 29.160 19.763 44.047 1.00 23.88 O HETATM 1639 O HOH 165 14.267 45.029 45.695 1.00 45.13 O HETATM 1640 O HOH 166 30.770 21.236 35.848 1.00 34.90 O HETATM 1641 O HOH 167 46.296 52.115 26.911 1.00 26.93 O HETATM 1642 O HOH 168 20.978 18.470 40.085 1.00 34.67 O HETATM 1643 O HOH 169 8.953 26.651 46.846 1.00 23.46 O HETATM 1644 O HOH 170 19.671 33.278 21.538 1.00 39.71 O HETATM 1645 O HOH 171 25.268 29.315 25.078 1.00 18.84 O HETATM 1646 O HOH 172 5.968 33.694 38.139 1.00 40.00 O HETATM 1647 O HOH 173 27.060 49.666 25.718 1.00 33.60 O HETATM 1648 O HOH 174 12.513 25.609 35.749 1.00 32.96 O HETATM 1649 O HOH 175 24.170 26.592 57.502 1.00 37.49 O HETATM 1650 O HOH 176 41.091 31.332 36.741 1.00 35.64 O HETATM 1651 O HOH 177 48.290 45.542 25.605 1.00 29.78 O HETATM 1652 O HOH 178 45.938 50.525 20.463 1.00 25.72 O HETATM 1653 O HOH 179 46.082 35.703 26.081 1.00 26.21 O HETATM 1654 O HOH 180 7.024 24.716 47.177 1.00 29.19 O HETATM 1655 O HOH 181 14.394 39.252 41.906 1.00 29.11 O HETATM 1656 O HOH 182 25.793 23.142 52.193 1.00 27.17 O HETATM 1657 O HOH 183 1.317 23.095 41.272 1.00 39.19 O HETATM 1658 O HOH 184 38.581 35.850 11.142 1.00 27.82 O HETATM 1659 O HOH 185 44.764 53.797 28.942 1.00 17.55 O HETATM 1660 O HOH 186 15.591 29.530 26.841 1.00 41.79 O HETATM 1661 O HOH 187 47.427 38.368 23.781 1.00 30.82 O HETATM 1662 O HOH 188 32.701 45.360 42.159 1.00 38.50 O HETATM 1663 O HOH 189 27.423 21.247 48.757 1.00 21.59 O HETATM 1664 O HOH 190 25.560 31.911 54.888 1.00 23.84 O HETATM 1665 O HOH 191 9.265 34.606 40.064 1.00 34.23 O HETATM 1666 O HOH 192 44.223 35.648 22.365 1.00 32.94 O HETATM 1667 O HOH 193 30.338 20.312 48.592 1.00 38.57 O HETATM 1668 O HOH 194 10.382 37.620 47.502 1.00 36.47 O HETATM 1669 O HOH 195 4.383 21.613 44.868 1.00 41.54 O HETATM 1670 O HOH 196 10.855 26.604 37.533 1.00 32.25 O HETATM 1671 O HOH 197 39.946 25.772 32.395 1.00 40.75 O HETATM 1672 O HOH 198 48.121 44.162 14.677 1.00 41.68 O HETATM 1673 O HOH 199 30.210 51.707 23.785 1.00 30.54 O HETATM 1674 O HOH 200 39.670 26.983 34.471 1.00 34.53 O HETATM 1675 O HOH 201 44.311 29.487 34.965 1.00 35.96 O HETATM 1676 O HOH 202 37.656 26.914 29.196 1.00 40.14 O HETATM 1677 O HOH 203 29.345 36.171 49.346 1.00 31.31 O HETATM 1678 O HOH 204 15.838 39.526 16.323 1.00 43.49 O HETATM 1679 O HOH 205 39.335 39.808 12.953 1.00 32.88 O HETATM 1680 O HOH 206 31.321 46.259 40.734 1.00 33.81 O HETATM 1681 O HOH 207 31.946 19.989 41.045 1.00 29.42 O HETATM 1682 O HOH 208 28.789 28.882 53.783 1.00 41.21 O HETATM 1683 O HOH 209 10.836 39.889 46.775 1.00 38.07 O HETATM 1684 O HOH 210 33.697 48.829 11.396 1.00 48.94 O HETATM 1685 O HOH 211 24.639 47.654 30.295 1.00 28.77 O HETATM 1686 O HOH 212 20.578 32.076 19.585 1.00 35.94 O HETATM 1687 O HOH 213 37.736 31.267 12.950 1.00 37.26 O HETATM 1688 O HOH 214 9.694 28.141 49.705 1.00 29.91 O HETATM 1689 O HOH 215 47.451 49.936 27.513 1.00 30.74 O HETATM 1690 O HOH 216 38.121 42.826 11.795 1.00 36.57 O HETATM 1691 O HOH 217 20.052 25.621 58.990 1.00 32.22 O HETATM 1692 O HOH 218 35.532 20.837 42.719 1.00 43.75 O HETATM 1693 O HOH 219 27.899 24.574 51.155 1.00 29.10 O HETATM 1694 O HOH 220 46.481 45.955 29.656 1.00 37.27 O HETATM 1695 O HOH 221 2.127 20.762 48.782 1.00 33.07 O HETATM 1696 O HOH 222 3.027 21.471 42.180 1.00 39.42 O HETATM 1697 O HOH 223 11.814 23.442 34.770 1.00 42.37 O HETATM 1698 O HOH 224 46.536 36.198 23.872 1.00 35.14 O HETATM 1699 O HOH 225 15.399 38.674 34.782 1.00 18.88 O HETATM 1700 O HOH 226 26.898 48.903 37.085 1.00 27.55 O HETATM 1701 O HOH 227 21.222 47.767 40.546 1.00 38.58 O HETATM 1702 O HOH 228 30.357 46.468 38.342 1.00 18.01 O HETATM 1703 O HOH 229 27.995 44.404 41.847 1.00 31.63 O HETATM 1704 O HOH 230 22.571 42.073 26.753 1.00 23.13 O HETATM 1705 O HOH 231 13.043 46.537 21.179 1.00 20.91 O HETATM 1706 O HOH 232 18.651 44.152 33.043 1.00 30.76 O HETATM 1707 O HOH 233 15.330 42.234 34.398 1.00 28.58 O HETATM 1708 O HOH 234 17.421 44.875 30.999 1.00 42.26 O HETATM 1709 O HOH 235 14.375 46.373 23.422 1.00 28.25 O HETATM 1710 O HOH 236 18.325 49.052 24.984 1.00 38.61 O HETATM 1711 O HOH 237 15.998 43.663 29.696 1.00 37.64 O HETATM 1712 O HOH 238 20.280 44.415 44.715 1.00 37.98 O HETATM 1713 O HOH 239 19.168 41.876 25.521 1.00 24.85 O HETATM 1714 O HOH 240 20.339 45.039 35.848 1.00 28.46 O HETATM 1715 O HOH 241 28.877 48.030 41.876 1.00 41.77 O HETATM 1716 O HOH 242 13.508 48.899 17.429 1.00 40.70 O HETATM 1717 O HOH 243 12.654 49.007 20.186 1.00 30.65 O HETATM 1718 O HOH 244 15.013 48.720 24.361 1.00 36.15 O HETATM 1719 O HOH 245 14.008 50.455 22.372 1.00 30.25 O HETATM 1720 N SER A 246 22.588 45.094 18.226 1.00 0.24 N HETATM 1721 CA SER A 246 21.527 45.840 17.551 1.00 0.06 C HETATM 1722 C SER A 246 20.745 46.705 18.536 1.00 0.23 C HETATM 1723 O SER A 246 21.080 46.771 19.721 1.00 -0.39 O HETATM 1724 N SER A 246 19.691 47.356 18.033 1.00 -0.26 N HETATM 1725 CA SER A 246 18.979 48.356 18.824 1.00 0.13 C HETATM 1726 C SER A 246 18.132 47.726 19.925 1.00 0.20 C HETATM 1727 O SER A 246 17.991 48.313 21.005 1.00 -0.39 O HETATM 1728 N SER A 246 17.554 46.547 19.680 1.00 -0.26 N HETATM 1729 CA SER A 246 16.706 45.938 20.699 1.00 0.15 C HETATM 1730 C SER A 246 17.498 45.374 21.871 1.00 0.21 C HETATM 1731 O SER A 246 16.888 45.021 22.887 1.00 -0.39 O HETATM 1732 N SER A 246 18.823 45.289 21.768 1.00 -0.26 N HETATM 1733 CA SER A 246 19.614 44.669 22.827 1.00 0.13 C HETATM 1734 C SER A 246 19.574 45.532 24.085 1.00 0.20 C HETATM 1735 O SER A 246 19.868 46.729 24.037 1.00 -0.39 O HETATM 1736 N SER A 246 19.200 44.929 25.210 1.00 -0.26 N HETATM 1737 CA SER A 246 19.065 45.619 26.484 1.00 0.16 C HETATM 1738 C SER A 246 20.052 45.055 27.510 1.00 0.21 C HETATM 1739 O SER A 246 20.620 43.976 27.303 1.00 -0.39 O HETATM 1740 N SER A 246 20.304 45.772 28.609 1.00 -0.25 N HETATM 1741 CA SER A 246 21.390 45.370 29.518 1.00 0.13 C HETATM 1742 C SER A 246 21.130 44.060 30.246 1.00 0.20 C HETATM 1743 O SER A 246 19.996 43.726 30.603 1.00 -0.39 O HETATM 1744 N SER A 246 22.222 43.325 30.468 1.00 -0.26 N HETATM 1745 CA SER A 246 22.202 42.138 31.312 1.00 0.13 C HETATM 1746 C SER A 246 21.773 42.482 32.734 1.00 0.20 C HETATM 1747 O SER A 246 22.032 43.578 33.233 1.00 -0.39 O HETATM 1748 N SER A 246 21.135 41.524 33.409 1.00 -0.26 N HETATM 1749 CA SER A 246 20.879 41.698 34.836 1.00 0.14 C HETATM 1750 C SER A 246 22.193 41.757 35.598 1.00 0.21 C HETATM 1751 O SER A 246 23.077 40.922 35.401 1.00 -0.39 O HETATM 1752 N SER A 246 22.327 42.761 36.458 1.00 -0.27 N HETATM 1753 CA SER A 246 23.490 42.869 37.307 1.00 0.12 C HETATM 1754 C SER A 246 23.787 44.316 37.642 1.00 0.20 C HETATM 1755 O SER A 246 22.994 45.212 37.378 1.00 -0.39 O HETATM 1756 N SER A 246 24.959 44.511 38.229 1.00 -0.27 N HETATM 1757 CA SER A 246 25.418 45.829 38.668 1.00 0.09 C HETATM 1758 C SER A 246 26.931 45.792 38.788 1.00 0.06 C HETATM 1759 O SER A 246 27.482 44.767 39.192 1.00 -0.57 O HETATM 1760 OXT SER A 246 27.665 46.752 38.476 1.00 -0.57 O HETATM 1761 CB SER A 246 24.765 46.201 40.011 1.00 -0.01 C HETATM 1762 CG SER A 246 25.351 47.401 40.718 1.00 -0.02 C HETATM 1763 CD SER A 246 24.874 47.451 42.170 1.00 0.06 C HETATM 1764 NE SER A 246 23.415 47.465 42.288 1.00 -0.27 N HETATM 1765 CZ SER A 246 22.702 46.555 42.949 1.00 0.29 C HETATM 1766 NH1 SER A 246 23.309 45.546 43.568 1.00 -0.28 N HETATM 1767 H66 SER A 246 22.753 44.845 44.078 1.00 0.26 H HETATM 1768 H67 SER A 246 24.335 45.466 43.538 1.00 0.26 H HETATM 1769 NH2 SER A 246 21.376 46.656 43.001 1.00 -0.28 N HETATM 1770 H68 SER A 246 20.900 47.435 42.524 1.00 0.26 H HETATM 1771 H69 SER A 246 20.826 45.955 43.518 1.00 0.26 H HETATM 1772 H65 SER A 246 22.904 48.232 41.828 1.00 0.26 H HETATM 1773 H63 SER A 246 25.273 48.362 42.640 1.00 0.07 H HETATM 1774 H64 SER A 246 25.261 46.567 42.698 1.00 0.07 H HETATM 1775 H61 SER A 246 25.032 48.318 40.200 1.00 0.03 H HETATM 1776 H62 SER A 246 26.449 47.332 40.700 1.00 0.03 H HETATM 1777 H59 SER A 246 24.858 45.335 40.683 1.00 0.03 H HETATM 1778 H60 SER A 246 23.701 46.407 39.823 1.00 0.03 H HETATM 1779 H58 SER A 246 25.134 46.581 37.917 1.00 0.07 H HETATM 1780 H57 SER A 246 25.556 43.723 38.379 1.00 0.19 H HETATM 1781 H55 SER A 246 24.357 42.435 36.786 1.00 0.08 H HETATM 1782 H56 SER A 246 23.307 42.315 38.239 1.00 0.08 H HETATM 1783 H54 SER A 246 21.609 43.455 36.518 1.00 0.19 H HETATM 1784 CB SER A 246 20.016 40.559 35.377 1.00 0.04 C HETATM 1785 CG SER A 246 18.545 40.726 35.025 1.00 0.04 C HETATM 1786 OD1 SER A 246 18.128 41.861 34.713 1.00 -0.57 O HETATM 1787 OD2 SER A 246 17.816 39.719 35.041 1.00 -0.57 O HETATM 1788 H52 SER A 246 20.116 40.530 36.472 1.00 0.05 H HETATM 1789 H53 SER A 246 20.375 39.611 34.951 1.00 0.05 H HETATM 1790 H51 SER A 246 20.341 42.646 34.983 1.00 0.08 H HETATM 1791 H50 SER A 246 20.834 40.693 32.941 1.00 0.19 H HETATM 1792 CB SER A 246 23.589 41.510 31.359 1.00 -0.02 C HETATM 1793 H47 SER A 246 23.565 40.615 31.998 1.00 0.03 H HETATM 1794 H48 SER A 246 24.306 42.235 31.771 1.00 0.03 H HETATM 1795 H49 SER A 246 23.898 41.226 30.342 1.00 0.03 H HETATM 1796 H46 SER A 246 21.490 41.414 30.888 1.00 0.08 H HETATM 1797 H45 SER A 246 23.083 43.599 30.040 1.00 0.19 H HETATM 1798 CB SER A 246 21.464 46.533 30.513 1.00 -0.01 C HETATM 1799 CG SER A 246 20.916 47.698 29.760 1.00 -0.03 C HETATM 1800 CD SER A 246 19.815 47.126 28.931 1.00 0.04 C HETATM 1801 H43 SER A 246 18.875 47.081 29.501 1.00 0.05 H HETATM 1802 H44 SER A 246 19.662 47.718 28.017 1.00 0.05 H HETATM 1803 H41 SER A 246 21.691 48.146 29.121 1.00 0.03 H HETATM 1804 H42 SER A 246 20.526 48.459 30.452 1.00 0.03 H HETATM 1805 H39 SER A 246 22.505 46.720 30.817 1.00 0.03 H HETATM 1806 H40 SER A 246 20.854 46.323 31.404 1.00 0.03 H HETATM 1807 H38 SER A 246 22.333 45.278 28.959 1.00 0.08 H HETATM 1808 CB SER A 246 17.624 45.506 27.006 1.00 0.09 C HETATM 1809 OG1 SER A 246 17.234 44.131 27.061 1.00 -0.39 O HETATM 1810 H34 SER A 246 16.343 44.068 27.384 1.00 0.21 H HETATM 1811 CG2 SER A 246 16.665 46.271 26.096 1.00 -0.03 C HETATM 1812 H35 SER A 246 15.640 46.179 26.484 1.00 0.03 H HETATM 1813 H36 SER A 246 16.711 45.852 25.080 1.00 0.03 H HETATM 1814 H37 SER A 246 16.953 47.332 26.069 1.00 0.03 H HETATM 1815 H33 SER A 246 17.576 45.935 28.018 1.00 0.06 H HETATM 1816 H32 SER A 246 19.296 46.683 26.329 1.00 0.08 H HETATM 1817 H31 SER A 246 19.001 43.950 25.179 1.00 0.19 H HETATM 1818 CB SER A 246 21.056 44.459 22.360 1.00 -0.01 C HETATM 1819 CG SER A 246 21.852 43.459 23.207 1.00 -0.02 C HETATM 1820 CD SER A 246 23.146 43.007 22.511 1.00 0.06 C HETATM 1821 NE SER A 246 23.796 41.929 23.254 1.00 -0.27 N HETATM 1822 CZ SER A 246 24.657 42.114 24.247 1.00 0.29 C HETATM 1823 NH1 SER A 246 25.010 43.334 24.608 1.00 -0.28 N HETATM 1824 H27 SER A 246 25.679 43.470 25.380 1.00 0.26 H HETATM 1825 H28 SER A 246 24.617 44.150 24.118 1.00 0.26 H HETATM 1826 NH2 SER A 246 25.173 41.073 24.875 1.00 -0.28 N HETATM 1827 H29 SER A 246 24.902 40.118 24.599 1.00 0.26 H HETATM 1828 H30 SER A 246 25.846 41.216 25.641 1.00 0.26 H HETATM 1829 H26 SER A 246 23.570 40.960 22.989 1.00 0.26 H HETATM 1830 H24 SER A 246 23.835 43.862 22.443 1.00 0.07 H HETATM 1831 H25 SER A 246 22.904 42.650 21.499 1.00 0.07 H HETATM 1832 H22 SER A 246 21.224 42.576 23.395 1.00 0.03 H HETATM 1833 H23 SER A 246 22.112 43.934 24.164 1.00 0.03 H HETATM 1834 H20 SER A 246 21.574 45.429 22.394 1.00 0.03 H HETATM 1835 H21 SER A 246 21.033 44.091 21.323 1.00 0.03 H HETATM 1836 H19 SER A 246 19.177 43.687 23.062 1.00 0.08 H HETATM 1837 H18 SER A 246 19.281 45.654 20.957 1.00 0.19 H HETATM 1838 CB SER A 246 15.838 44.828 20.090 1.00 0.08 C HETATM 1839 OG SER A 246 14.760 45.360 19.334 1.00 -0.39 O HETATM 1840 H17 SER A 246 14.212 45.894 19.898 1.00 0.21 H HETATM 1841 H15 SER A 246 15.432 44.207 20.902 1.00 0.06 H HETATM 1842 H16 SER A 246 16.463 44.207 19.431 1.00 0.06 H HETATM 1843 H14 SER A 246 16.040 46.722 21.089 1.00 0.08 H HETATM 1844 H13 SER A 246 17.701 46.086 18.805 1.00 0.19 H HETATM 1845 CB SER A 246 18.103 49.217 17.912 1.00 -0.02 C HETATM 1846 H10 SER A 246 17.571 49.967 18.516 1.00 0.03 H HETATM 1847 H11 SER A 246 17.373 48.578 17.395 1.00 0.03 H HETATM 1848 H12 SER A 246 18.735 49.726 17.170 1.00 0.03 H HETATM 1849 H9 SER A 246 19.727 49.006 19.302 1.00 0.08 H HETATM 1850 H8 SER A 246 19.386 47.155 17.102 1.00 0.19 H HETATM 1851 CB SER A 246 20.577 44.891 16.816 1.00 -0.00 C HETATM 1852 H5 SER A 246 19.789 45.475 16.317 1.00 0.03 H HETATM 1853 H6 SER A 246 20.119 44.199 17.538 1.00 0.03 H HETATM 1854 H7 SER A 246 21.140 44.318 16.065 1.00 0.03 H HETATM 1855 H4 SER A 246 21.996 46.503 16.809 1.00 0.11 H HETATM 1856 H1 SER A 246 23.086 44.533 17.552 1.00 0.20 H HETATM 1857 H2 SER A 246 22.183 44.495 18.928 1.00 0.20 H HETATM 1858 H3 SER A 246 23.227 45.740 18.663 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1720 1721 1856 1857 1858 CONECT 1721 1720 1722 1851 1855 CONECT 1722 1721 1723 1724 CONECT 1723 1722 CONECT 1724 1722 1725 1850 CONECT 1725 1724 1726 1845 1849 CONECT 1726 1725 1727 1728 CONECT 1727 1726 CONECT 1728 1726 1729 1844 CONECT 1729 1728 1730 1838 1843 CONECT 1730 1729 1731 1732 CONECT 1731 1730 CONECT 1732 1730 1733 1837 CONECT 1733 1732 1734 1818 1836 CONECT 1734 1733 1735 1736 CONECT 1735 1734 CONECT 1736 1734 1737 1817 CONECT 1737 1736 1738 1808 1816 CONECT 1738 1737 1739 1740 CONECT 1739 1738 CONECT 1740 1738 1741 1800 CONECT 1741 1740 1742 1798 1807 CONECT 1742 1741 1743 1744 CONECT 1743 1742 CONECT 1744 1742 1745 1797 CONECT 1745 1744 1746 1792 1796 CONECT 1746 1745 1747 1748 CONECT 1747 1746 CONECT 1748 1746 1749 1791 CONECT 1749 1748 1750 1784 1790 CONECT 1750 1749 1751 1752 CONECT 1751 1750 CONECT 1752 1750 1753 1783 CONECT 1753 1752 1754 1781 1782 CONECT 1754 1753 1755 1756 CONECT 1755 1754 CONECT 1756 1754 1757 1780 CONECT 1757 1756 1758 1761 1779 CONECT 1758 1757 1759 1760 CONECT 1759 1758 CONECT 1760 1758 CONECT 1761 1757 1762 1777 1778 CONECT 1762 1761 1763 1775 1776 CONECT 1763 1762 1764 1773 1774 CONECT 1764 1763 1765 1772 CONECT 1765 1764 1766 1769 CONECT 1766 1765 1767 1768 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1765 1770 1771 CONECT 1770 1769 CONECT 1771 1769 CONECT 1772 1764 CONECT 1773 1763 CONECT 1774 1763 CONECT 1775 1762 CONECT 1776 1762 CONECT 1777 1761 CONECT 1778 1761 CONECT 1779 1757 CONECT 1780 1756 CONECT 1781 1753 CONECT 1782 1753 CONECT 1783 1752 CONECT 1784 1749 1785 1788 1789 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 CONECT 1788 1784 CONECT 1789 1784 CONECT 1790 1749 CONECT 1791 1748 CONECT 1792 1745 1793 1794 1795 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1792 CONECT 1796 1745 CONECT 1797 1744 CONECT 1798 1741 1799 1805 1806 CONECT 1799 1798 1800 1803 1804 CONECT 1800 1740 1799 1801 1802 CONECT 1801 1800 CONECT 1802 1800 CONECT 1803 1799 CONECT 1804 1799 CONECT 1805 1798 CONECT 1806 1798 CONECT 1807 1741 CONECT 1808 1737 1809 1811 1815 CONECT 1809 1808 1810 CONECT 1810 1809 CONECT 1811 1808 1812 1813 1814 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1811 CONECT 1815 1808 CONECT 1816 1737 CONECT 1817 1736 CONECT 1818 1733 1819 1834 1835 CONECT 1819 1818 1820 1832 1833 CONECT 1820 1819 1821 1830 1831 CONECT 1821 1820 1822 1829 CONECT 1822 1821 1823 1826 CONECT 1823 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1822 1827 1828 CONECT 1827 1826 CONECT 1828 1826 CONECT 1829 1821 CONECT 1830 1820 CONECT 1831 1820 CONECT 1832 1819 CONECT 1833 1819 CONECT 1834 1818 CONECT 1835 1818 CONECT 1836 1733 CONECT 1837 1732 CONECT 1838 1729 1839 1841 1842 CONECT 1839 1838 1840 CONECT 1840 1839 CONECT 1841 1838 CONECT 1842 1838 CONECT 1843 1729 CONECT 1844 1728 CONECT 1845 1725 1846 1847 1848 CONECT 1846 1845 CONECT 1847 1845 CONECT 1848 1845 CONECT 1849 1725 CONECT 1850 1724 CONECT 1851 1721 1852 1853 1854 CONECT 1852 1851 CONECT 1853 1851 CONECT 1854 1851 CONECT 1855 1721 CONECT 1856 1720 CONECT 1857 1720 CONECT 1858 1720 MASTER 0 0 0 0 0 0 0 0 1857 1 143 13 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5gp7
Entries with 90% protein sequence similarity cutoff in PDBbind
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Ligand Name
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2wp1
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2z5o
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3er5
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3iqj
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3oq5
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3puj
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3pxe
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3q8d
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3uik
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4h3b
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4hcz
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4i2w
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4i2z
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4jfd
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4jfe
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4jjq
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4jog
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4joj
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4jok
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4k72
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4k75
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4k78
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4lnp
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4mdr
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4n84
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4nmo
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4nmp
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4nmq
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PDBbind
10-mer
4nmr
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PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
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PDBbind
10-mer
4nmv
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PDBbind
10-mer
4o2c
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10-mer
4oz1
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PDBbind
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4p0a
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10-mer
4p0b
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4qok
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10-mer
4rqz
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PDBbind
10-mer
4u90
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10-mer
4v11
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4wj5
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PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
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10-mer
4x1q
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4x1r
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4x1s
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4x34
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4x3s
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4x8n
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4xhv
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4z0u
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4z7i
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4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
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10-mer
5azg
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PDBbind
10-mer
5c0m
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PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
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PDBbind
10-mer
5d6y
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PDBbind
10-mer
5gs4
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PDBbind
10-mer
5gtr
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PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
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PDBbind
10-mer
5nx2
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10-mer
5t6z
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PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
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PDBbind
10-mer
5vnb
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PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
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PDBbind
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6a8n
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PDBbind
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5zys
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10-mer
Entry Information
PDB ID
5gp7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tankyrase-1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=7.1uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Genes Dev. Vol. 31: pp. 1024-1035
Ligand Properties
Formula
C
3
9
H
7
1
N
1
6
O
1
5
Molecular Weight
1004.080
Exact Mass
1003.530
No. of atoms
141
No. of bonds
141
Polar Surface Area
527.83
LOGP Value
-3.77 (
Computed with XLOGP3
)
-7.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CC(=O)O)C)[C@H](O)C)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C
InChI String
InChI=1S/C39H68N16O15/c1-17(40)29(61)48-18(2)31(63)53-24(16-56)34(66)51-21(8-5-11-45-38(41)42)33(65)54-28(20(4)57)36(68)55-13-7-10-25(55)35(67)49-19(3)30(62)52-23(14-27(59)60)32(64)47-15-26(58)50-22(37(69)70)9-6-12-46-39(43)44/h17-25,28,56-57H,5-16,40H2,1-4H3,(H,47,64)(H,48,61)(H,49,67)(H,50,58)(H,51,66)(H,52,62)(H,53,63)(H,54,65)(H,59,60)(H,69,70)(H4,41,42,45)(H4,43,44,46)/p+3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,28-/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):
Q9UHP3
O95271
Entrez Gene ID
NCBI Entrez Gene ID:
29761
8658
ASD
Information of known allosteric effects of PDB entries
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