Browse entries in the PDBbind-CN Database
HEADER 5A82_COMPLEX COMPND 5A82_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 SER MET GLN GLU GLU ASP THR PHE ARG GLU LEU ARG ILE SEQRES 2 A 130 PHE LEU ARG ASN VAL THR HIS ARG LEU ALA ILE ASP LYS SEQRES 3 A 130 ARG PHE ARG VAL PHE THR LYS PRO VAL ASP PRO ASP GLU SEQRES 4 A 130 VAL PRO ASP TYR VAL THR VAL ILE LYS GLN PRO MET ASP SEQRES 5 A 130 LEU SER SER VAL ILE SER LYS ILE ASP LEU HIS LYS TYR SEQRES 6 A 130 LEU THR VAL LYS ASP TYR LEU ARG ASP ILE ASP LEU ILE SEQRES 7 A 130 CYS SER ASN ALA LEU GLU TYR ASN PRO ASP ARG ASP PRO SEQRES 8 A 130 GLY ASP ARG LEU ILE ARG HIS ARG ALA CYS ALA LEU ARG SEQRES 9 A 130 ASP THR ALA TYR ALA ILE ILE LYS GLU GLU LEU ASP GLU SEQRES 10 A 130 ASP PHE GLU GLN LEU CYS GLU GLU ILE GLN GLU SER ARG HET YEJ A 328 58 ATOM 1 N SER A 979 12.777 45.914 -3.312 1.00 60.42 N ATOM 2 CA SER A 979 13.165 46.112 -4.738 1.00 61.34 C ATOM 3 C SER A 979 11.957 46.458 -5.608 1.00 61.30 C ATOM 4 O SER A 979 10.812 46.406 -5.151 1.00 57.87 O ATOM 5 CB SER A 979 13.835 44.846 -5.278 1.00 62.78 C ATOM 6 OG SER A 979 12.915 43.768 -5.344 1.00 60.99 O ATOM 7 HG SER A 979 13.374 42.965 -5.696 1.00 0.00 H ATOM 8 HN3 SER A 979 12.091 45.136 -3.246 1.00 0.00 H ATOM 9 HN2 SER A 979 12.348 46.788 -2.946 1.00 0.00 H ATOM 10 HN1 SER A 979 13.623 45.681 -2.753 1.00 0.00 H ATOM 11 N MET A 980 12.227 46.803 -6.867 1.00 61.62 N ATOM 12 CA MET A 980 11.178 47.096 -7.848 1.00 59.76 C ATOM 13 C MET A 980 10.314 45.869 -8.125 1.00 55.88 C ATOM 14 O MET A 980 9.104 45.989 -8.314 1.00 54.96 O ATOM 15 CB MET A 980 11.794 47.589 -9.162 1.00 60.85 C ATOM 16 H MET A 980 13.221 46.867 -7.165 1.00 0.00 H ATOM 17 N GLN A 981 10.940 44.695 -8.143 1.00 53.95 N ATOM 18 CA GLN A 981 10.233 43.442 -8.405 1.00 53.70 C ATOM 19 C GLN A 981 9.259 43.118 -7.273 1.00 48.34 C ATOM 20 O GLN A 981 8.147 42.655 -7.520 1.00 46.70 O ATOM 21 CB GLN A 981 11.214 42.278 -8.589 1.00 58.06 C ATOM 22 CG GLN A 981 12.135 42.401 -9.799 1.00 61.97 C ATOM 23 CD GLN A 981 13.365 43.261 -9.543 1.00 66.11 C ATOM 24 OE1 GLN A 981 13.723 44.108 -10.361 1.00 70.10 O ATOM 25 NE2 GLN A 981 14.015 43.049 -8.400 1.00 65.97 N ATOM 26 HE22 GLN A 981 13.677 42.322 -7.737 1.00 0.00 H ATOM 27 HE21 GLN A 981 14.860 43.610 -8.171 1.00 0.00 H ATOM 28 H GLN A 981 11.964 44.668 -7.965 1.00 0.00 H ATOM 29 N GLU A 982 9.681 43.361 -6.034 1.00 44.15 N ATOM 30 CA GLU A 982 8.814 43.142 -4.876 1.00 42.22 C ATOM 31 C GLU A 982 7.666 44.148 -4.842 1.00 38.24 C ATOM 32 O GLU A 982 6.540 43.800 -4.479 1.00 33.44 O ATOM 33 CB GLU A 982 9.623 43.199 -3.582 1.00 44.12 C ATOM 34 CG GLU A 982 10.601 42.042 -3.456 1.00 46.59 C ATOM 35 CD GLU A 982 11.406 42.074 -2.172 1.00 48.86 C ATOM 36 OE1 GLU A 982 11.436 43.130 -1.502 1.00 48.28 O ATOM 37 OE2 GLU A 982 12.015 41.035 -1.842 1.00 48.41 O ATOM 38 H GLU A 982 10.648 43.714 -5.886 1.00 0.00 H ATOM 39 N GLU A 983 7.944 45.389 -5.228 1.00 37.02 N ATOM 40 CA GLU A 983 6.892 46.400 -5.307 1.00 37.74 C ATOM 41 C GLU A 983 5.871 46.057 -6.392 1.00 34.00 C ATOM 42 O GLU A 983 4.671 46.257 -6.198 1.00 31.91 O ATOM 43 CB GLU A 983 7.477 47.801 -5.528 1.00 42.20 C ATOM 44 CG GLU A 983 8.189 48.369 -4.304 1.00 47.75 C ATOM 45 CD GLU A 983 7.475 48.034 -3.003 1.00 53.55 C ATOM 46 OE1 GLU A 983 6.313 48.465 -2.837 1.00 58.10 O ATOM 47 OE2 GLU A 983 8.062 47.327 -2.151 1.00 56.41 O ATOM 48 H GLU A 983 8.921 45.643 -5.477 1.00 0.00 H ATOM 49 N ASP A 984 6.352 45.531 -7.517 1.00 32.66 N ATOM 50 CA ASP A 984 5.473 45.020 -8.575 1.00 33.32 C ATOM 51 C ASP A 984 4.604 43.863 -8.068 1.00 30.06 C ATOM 52 O ASP A 984 3.430 43.756 -8.428 1.00 26.86 O ATOM 53 CB ASP A 984 6.290 44.550 -9.780 1.00 36.74 C ATOM 54 CG ASP A 984 6.902 45.700 -10.572 1.00 39.50 C ATOM 55 OD1 ASP A 984 6.618 46.880 -10.273 1.00 40.87 O ATOM 56 OD2 ASP A 984 7.673 45.410 -11.506 1.00 45.25 O ATOM 57 H ASP A 984 7.382 45.481 -7.650 1.00 0.00 H ATOM 58 N THR A 985 5.186 42.999 -7.239 1.00 28.42 N ATOM 59 CA THR A 985 4.446 41.884 -6.656 1.00 27.47 C ATOM 60 C THR A 985 3.302 42.388 -5.776 1.00 26.49 C ATOM 61 O THR A 985 2.160 41.952 -5.927 1.00 24.54 O ATOM 62 CB THR A 985 5.368 40.957 -5.838 1.00 27.85 C ATOM 63 OG1 THR A 985 6.412 40.458 -6.689 1.00 29.41 O ATOM 64 CG2 THR A 985 4.582 39.785 -5.258 1.00 26.87 C ATOM 65 HG1 THR A 985 6.011 39.951 -7.439 1.00 0.00 H ATOM 66 H THR A 985 6.191 43.121 -7.001 1.00 0.00 H ATOM 67 N PHE A 986 3.596 43.308 -4.865 1.00 26.48 N ATOM 68 CA PHE A 986 2.544 43.820 -3.983 1.00 27.25 C ATOM 69 C PHE A 986 1.497 44.643 -4.727 1.00 26.80 C ATOM 70 O PHE A 986 0.334 44.642 -4.338 1.00 25.58 O ATOM 71 CB PHE A 986 3.121 44.601 -2.805 1.00 29.23 C ATOM 72 CG PHE A 986 3.879 43.743 -1.828 1.00 31.05 C ATOM 73 CD1 PHE A 986 3.334 42.555 -1.349 1.00 31.73 C ATOM 74 CD2 PHE A 986 5.130 44.125 -1.382 1.00 33.04 C ATOM 75 CE1 PHE A 986 4.029 41.768 -0.451 1.00 33.18 C ATOM 76 CE2 PHE A 986 5.828 43.341 -0.480 1.00 34.75 C ATOM 77 CZ PHE A 986 5.278 42.163 -0.015 1.00 33.91 C ATOM 78 H PHE A 986 4.569 43.664 -4.778 1.00 0.00 H ATOM 79 N ARG A 987 1.899 45.335 -5.790 1.00 26.82 N ATOM 80 CA ARG A 987 0.939 46.071 -6.607 1.00 27.63 C ATOM 81 C ARG A 987 -0.035 45.113 -7.296 1.00 25.80 C ATOM 82 O ARG A 987 -1.232 45.389 -7.364 1.00 24.98 O ATOM 83 CB ARG A 987 1.638 46.944 -7.644 1.00 30.32 C ATOM 84 CG ARG A 987 0.660 47.806 -8.424 1.00 32.38 C ATOM 85 CD ARG A 987 1.310 49.048 -9.006 1.00 34.46 C ATOM 86 NE ARG A 987 0.317 49.893 -9.661 1.00 35.94 N ATOM 87 CZ ARG A 987 -0.128 49.701 -10.900 1.00 36.11 C ATOM 88 NH1 ARG A 987 0.338 48.698 -11.634 1.00 35.19 N ATOM 89 NH2 ARG A 987 -1.035 50.520 -11.407 1.00 37.46 N ATOM 90 HE ARG A 987 -0.068 50.697 -9.125 1.00 0.00 H ATOM 91 HH12 ARG A 987 -0.015 48.554 -12.602 1.00 0.00 H ATOM 92 HH11 ARG A 987 1.056 48.056 -11.241 1.00 0.00 H ATOM 93 HH22 ARG A 987 -1.385 50.373 -12.375 1.00 0.00 H ATOM 94 HH21 ARG A 987 -1.398 51.311 -10.837 1.00 0.00 H ATOM 95 H ARG A 987 2.908 45.352 -6.041 1.00 0.00 H ATOM 96 N GLU A 988 0.477 43.991 -7.799 1.00 24.59 N ATOM 97 CA GLU A 988 -0.385 42.964 -8.402 1.00 24.33 C ATOM 98 C GLU A 988 -1.342 42.387 -7.360 1.00 23.46 C ATOM 99 O GLU A 988 -2.525 42.188 -7.639 1.00 21.90 O ATOM 100 CB GLU A 988 0.426 41.844 -9.052 1.00 25.40 C ATOM 101 CG GLU A 988 -0.454 40.694 -9.521 1.00 25.79 C ATOM 102 CD GLU A 988 0.183 39.803 -10.568 1.00 28.32 C ATOM 103 OE1 GLU A 988 1.355 40.022 -10.945 1.00 29.09 O ATOM 104 OE2 GLU A 988 -0.514 38.870 -11.024 1.00 28.60 O ATOM 105 H GLU A 988 1.505 43.839 -7.765 1.00 0.00 H ATOM 106 N LEU A 989 -0.827 42.127 -6.162 1.00 23.37 N ATOM 107 CA LEU A 989 -1.664 41.676 -5.057 1.00 22.88 C ATOM 108 C LEU A 989 -2.806 42.657 -4.797 1.00 22.30 C ATOM 109 O LEU A 989 -3.953 42.248 -4.685 1.00 21.16 O ATOM 110 CB LEU A 989 -0.838 41.483 -3.781 1.00 23.99 C ATOM 111 CG LEU A 989 -1.631 41.140 -2.511 1.00 24.27 C ATOM 112 CD1 LEU A 989 -2.314 39.787 -2.645 1.00 24.19 C ATOM 113 CD2 LEU A 989 -0.722 41.178 -1.292 1.00 25.91 C ATOM 114 H LEU A 989 0.195 42.248 -6.010 1.00 0.00 H ATOM 115 N ARG A 990 -2.492 43.948 -4.708 1.00 22.48 N ATOM 116 CA ARG A 990 -3.521 44.958 -4.432 1.00 22.02 C ATOM 117 C ARG A 990 -4.582 44.997 -5.530 1.00 21.83 C ATOM 118 O ARG A 990 -5.771 45.090 -5.237 1.00 21.34 O ATOM 119 CB ARG A 990 -2.898 46.342 -4.238 1.00 22.94 C ATOM 120 CG ARG A 990 -2.069 46.464 -2.966 1.00 23.39 C ATOM 121 CD ARG A 990 -1.731 47.915 -2.653 1.00 24.53 C ATOM 122 NE ARG A 990 -0.890 48.534 -3.679 1.00 25.82 N ATOM 123 CZ ARG A 990 0.442 48.462 -3.735 1.00 26.75 C ATOM 124 NH1 ARG A 990 1.134 47.777 -2.827 1.00 27.02 N ATOM 125 NH2 ARG A 990 1.092 49.083 -4.718 1.00 27.27 N ATOM 126 HE ARG A 990 -1.370 49.075 -4.426 1.00 0.00 H ATOM 127 HH12 ARG A 990 2.171 47.733 -2.888 1.00 0.00 H ATOM 128 HH11 ARG A 990 0.637 47.286 -2.057 1.00 0.00 H ATOM 129 HH22 ARG A 990 2.129 49.032 -4.769 1.00 0.00 H ATOM 130 HH21 ARG A 990 0.562 49.619 -5.435 1.00 0.00 H ATOM 131 H ARG A 990 -1.504 44.245 -4.836 1.00 0.00 H ATOM 132 N ILE A 991 -4.148 44.895 -6.784 1.00 22.26 N ATOM 133 CA ILE A 991 -5.072 44.847 -7.926 1.00 22.51 C ATOM 134 C ILE A 991 -5.998 43.627 -7.818 1.00 21.41 C ATOM 135 O ILE A 991 -7.219 43.737 -7.982 1.00 20.58 O ATOM 136 CB ILE A 991 -4.306 44.850 -9.271 1.00 23.06 C ATOM 137 CG1 ILE A 991 -3.604 46.199 -9.482 1.00 24.44 C ATOM 138 CG2 ILE A 991 -5.248 44.570 -10.437 1.00 23.68 C ATOM 139 CD1 ILE A 991 -2.537 46.172 -10.559 1.00 24.70 C ATOM 140 H ILE A 991 -3.124 44.848 -6.961 1.00 0.00 H ATOM 141 N PHE A 992 -5.412 42.474 -7.522 1.00 21.33 N ATOM 142 CA PHE A 992 -6.175 41.251 -7.321 1.00 21.54 C ATOM 143 C PHE A 992 -7.205 41.415 -6.203 1.00 20.95 C ATOM 144 O PHE A 992 -8.380 41.111 -6.404 1.00 20.48 O ATOM 145 CB PHE A 992 -5.235 40.077 -7.033 1.00 22.43 C ATOM 146 CG PHE A 992 -5.950 38.797 -6.713 1.00 23.22 C ATOM 147 CD1 PHE A 992 -6.597 38.078 -7.713 1.00 24.45 C ATOM 148 CD2 PHE A 992 -5.979 38.311 -5.419 1.00 24.53 C ATOM 149 CE1 PHE A 992 -7.269 36.905 -7.417 1.00 24.47 C ATOM 150 CE2 PHE A 992 -6.647 37.132 -5.118 1.00 24.80 C ATOM 151 CZ PHE A 992 -7.287 36.431 -6.119 1.00 24.76 C ATOM 152 H PHE A 992 -4.376 42.443 -7.431 1.00 0.00 H ATOM 153 N LEU A 993 -6.773 41.932 -5.052 1.00 21.01 N ATOM 154 CA LEU A 993 -7.666 42.107 -3.894 1.00 20.77 C ATOM 155 C LEU A 993 -8.782 43.123 -4.138 1.00 20.63 C ATOM 156 O LEU A 993 -9.907 42.921 -3.678 1.00 20.28 O ATOM 157 CB LEU A 993 -6.880 42.489 -2.633 1.00 21.06 C ATOM 158 CG LEU A 993 -5.868 41.459 -2.102 1.00 21.28 C ATOM 159 CD1 LEU A 993 -5.170 41.972 -0.850 1.00 22.30 C ATOM 160 CD2 LEU A 993 -6.528 40.113 -1.853 1.00 20.75 C ATOM 161 H LEU A 993 -5.777 42.220 -4.970 1.00 0.00 H ATOM 162 N ARG A 994 -8.479 44.211 -4.846 1.00 21.41 N ATOM 163 CA ARG A 994 -9.511 45.189 -5.204 1.00 22.64 C ATOM 164 C ARG A 994 -10.584 44.562 -6.075 1.00 21.86 C ATOM 165 O ARG A 994 -11.770 44.832 -5.904 1.00 21.55 O ATOM 166 CB ARG A 994 -8.927 46.391 -5.943 1.00 25.13 C ATOM 167 CG ARG A 994 -8.224 47.376 -5.043 1.00 27.15 C ATOM 168 CD ARG A 994 -7.840 48.648 -5.778 1.00 29.19 C ATOM 169 NE ARG A 994 -6.695 49.251 -5.111 1.00 30.93 N ATOM 170 CZ ARG A 994 -5.429 49.168 -5.510 1.00 31.31 C ATOM 171 NH1 ARG A 994 -5.089 48.548 -6.638 1.00 31.54 N ATOM 172 NH2 ARG A 994 -4.488 49.750 -4.775 1.00 33.92 N ATOM 173 HE ARG A 994 -6.884 49.795 -4.245 1.00 0.00 H ATOM 174 HH12 ARG A 994 -4.090 48.499 -6.924 1.00 0.00 H ATOM 175 HH11 ARG A 994 -5.822 48.112 -7.233 1.00 0.00 H ATOM 176 HH22 ARG A 994 -3.492 49.697 -5.069 1.00 0.00 H ATOM 177 HH21 ARG A 994 -4.747 50.258 -3.906 1.00 0.00 H ATOM 178 H ARG A 994 -7.497 44.368 -5.149 1.00 0.00 H ATOM 179 N ASN A 995 -10.159 43.733 -7.017 1.00 22.00 N ATOM 180 CA ASN A 995 -11.092 43.069 -7.919 1.00 22.66 C ATOM 181 C ASN A 995 -12.002 42.095 -7.183 1.00 21.29 C ATOM 182 O ASN A 995 -13.211 42.095 -7.401 1.00 21.36 O ATOM 183 CB ASN A 995 -10.339 42.347 -9.032 1.00 24.45 C ATOM 184 CG ASN A 995 -11.266 41.563 -9.937 1.00 27.26 C ATOM 185 OD1 ASN A 995 -11.471 40.376 -9.737 1.00 27.69 O ATOM 186 ND2 ASN A 995 -11.864 42.242 -10.917 1.00 31.24 N ATOM 187 HD22 ASN A 995 -11.658 43.253 -11.050 1.00 0.00 H ATOM 188 HD21 ASN A 995 -12.536 41.761 -11.548 1.00 0.00 H ATOM 189 H ASN A 995 -9.139 43.552 -7.115 1.00 0.00 H ATOM 190 N VAL A 996 -11.423 41.263 -6.319 1.00 20.53 N ATOM 191 CA VAL A 996 -12.215 40.329 -5.517 1.00 20.44 C ATOM 192 C VAL A 996 -13.219 41.108 -4.662 1.00 20.67 C ATOM 193 O VAL A 996 -14.417 40.794 -4.638 1.00 20.99 O ATOM 194 CB VAL A 996 -11.320 39.451 -4.615 1.00 20.27 C ATOM 195 CG1 VAL A 996 -12.163 38.583 -3.684 1.00 21.07 C ATOM 196 CG2 VAL A 996 -10.397 38.587 -5.472 1.00 20.48 C ATOM 197 H VAL A 996 -10.389 41.277 -6.212 1.00 0.00 H ATOM 198 N THR A 997 -12.731 42.138 -3.981 1.00 21.18 N ATOM 199 CA THR A 997 -13.565 42.925 -3.070 1.00 21.13 C ATOM 200 C THR A 997 -14.706 43.636 -3.806 1.00 22.53 C ATOM 201 O THR A 997 -15.829 43.701 -3.295 1.00 22.16 O ATOM 202 CB THR A 997 -12.726 43.959 -2.308 1.00 21.82 C ATOM 203 OG1 THR A 997 -11.598 43.310 -1.712 1.00 22.40 O ATOM 204 CG2 THR A 997 -13.557 44.630 -1.215 1.00 22.40 C ATOM 205 HG1 THR A 997 -11.046 42.893 -2.420 1.00 0.00 H ATOM 206 H THR A 997 -11.729 42.393 -4.098 1.00 0.00 H ATOM 207 N HIS A 998 -14.414 44.169 -4.993 1.00 22.57 N ATOM 208 CA HIS A 998 -15.438 44.792 -5.834 1.00 25.01 C ATOM 209 C HIS A 998 -16.518 43.811 -6.218 1.00 24.28 C ATOM 210 O HIS A 998 -17.706 44.132 -6.175 1.00 23.58 O ATOM 211 CB HIS A 998 -14.809 45.394 -7.086 1.00 28.49 C ATOM 212 CG HIS A 998 -15.807 46.008 -8.036 1.00 33.01 C ATOM 213 ND1 HIS A 998 -16.390 47.197 -7.803 1.00 35.57 N ATOM 214 CD2 HIS A 998 -16.326 45.546 -9.247 1.00 35.81 C ATOM 215 CE1 HIS A 998 -17.233 47.491 -8.812 1.00 36.96 C ATOM 216 NE2 HIS A 998 -17.196 46.479 -9.695 1.00 37.61 N ATOM 217 H HIS A 998 -13.431 44.141 -5.331 1.00 0.00 H ATOM 218 N ARG A 999 -16.122 42.600 -6.593 1.00 23.96 N ATOM 219 CA ARG A 999 -17.098 41.582 -6.972 1.00 24.46 C ATOM 220 C ARG A 999 -17.990 41.165 -5.805 1.00 23.92 C ATOM 221 O ARG A 999 -19.161 40.852 -6.010 1.00 25.09 O ATOM 222 CB ARG A 999 -16.405 40.375 -7.586 1.00 25.64 C ATOM 223 CG ARG A 999 -15.875 40.683 -8.974 1.00 27.14 C ATOM 224 CD ARG A 999 -14.656 39.852 -9.311 1.00 27.79 C ATOM 225 NE ARG A 999 -14.995 38.446 -9.469 1.00 28.03 N ATOM 226 CZ ARG A 999 -14.101 37.481 -9.653 1.00 28.09 C ATOM 227 NH1 ARG A 999 -12.802 37.766 -9.698 1.00 28.03 N ATOM 228 NH2 ARG A 999 -14.512 36.228 -9.790 1.00 28.04 N ATOM 229 HE ARG A 999 -16.000 38.180 -9.436 1.00 0.00 H ATOM 230 HH12 ARG A 999 -12.107 37.005 -9.842 1.00 0.00 H ATOM 231 HH11 ARG A 999 -12.481 38.749 -9.589 1.00 0.00 H ATOM 232 HH22 ARG A 999 -13.819 35.466 -9.934 1.00 0.00 H ATOM 233 HH21 ARG A 999 -15.528 36.007 -9.753 1.00 0.00 H ATOM 234 H ARG A 999 -15.107 42.375 -6.617 1.00 0.00 H ATOM 235 N LEU A1000 -17.440 41.155 -4.594 1.00 22.27 N ATOM 236 CA LEU A1000 -18.246 40.923 -3.397 1.00 22.70 C ATOM 237 C LEU A1000 -19.171 42.109 -3.137 1.00 23.48 C ATOM 238 O LEU A1000 -20.352 41.923 -2.833 1.00 24.01 O ATOM 239 CB LEU A1000 -17.366 40.686 -2.169 1.00 22.08 C ATOM 240 CG LEU A1000 -16.422 39.491 -2.232 1.00 21.66 C ATOM 241 CD1 LEU A1000 -15.504 39.507 -1.020 1.00 21.88 C ATOM 242 CD2 LEU A1000 -17.196 38.183 -2.344 1.00 21.89 C ATOM 243 H LEU A1000 -16.417 41.315 -4.497 1.00 0.00 H ATOM 244 N ALA A1001 -18.633 43.320 -3.268 1.00 22.98 N ATOM 245 CA ALA A1001 -19.375 44.541 -2.946 1.00 24.69 C ATOM 246 C ALA A1001 -20.577 44.808 -3.859 1.00 27.03 C ATOM 247 O ALA A1001 -21.530 45.460 -3.436 1.00 28.21 O ATOM 248 CB ALA A1001 -18.442 45.748 -2.946 1.00 24.89 C ATOM 249 H ALA A1001 -17.654 43.401 -3.610 1.00 0.00 H ATOM 250 N ILE A1002 -20.536 44.322 -5.100 1.00 28.15 N ATOM 251 CA ILE A1002 -21.642 44.548 -6.037 1.00 30.37 C ATOM 252 C ILE A1002 -22.701 43.444 -5.970 1.00 30.96 C ATOM 253 O ILE A1002 -23.720 43.526 -6.643 1.00 31.86 O ATOM 254 CB ILE A1002 -21.156 44.732 -7.495 1.00 31.65 C ATOM 255 CG1 ILE A1002 -20.582 43.432 -8.071 1.00 31.57 C ATOM 256 CG2 ILE A1002 -20.134 45.856 -7.575 1.00 33.66 C ATOM 257 CD1 ILE A1002 -20.017 43.591 -9.466 1.00 34.68 C ATOM 258 H ILE A1002 -19.707 43.774 -5.408 1.00 0.00 H ATOM 259 N ASP A1003 -22.457 42.415 -5.161 1.00 29.92 N ATOM 260 CA ASP A1003 -23.435 41.354 -4.946 1.00 30.49 C ATOM 261 C ASP A1003 -24.509 41.869 -3.991 1.00 29.29 C ATOM 262 O ASP A1003 -24.198 42.303 -2.889 1.00 27.85 O ATOM 263 CB ASP A1003 -22.749 40.122 -4.359 1.00 30.71 C ATOM 264 CG ASP A1003 -23.604 38.877 -4.437 1.00 32.87 C ATOM 265 OD1 ASP A1003 -24.782 38.919 -4.020 1.00 34.33 O ATOM 266 OD2 ASP A1003 -23.081 37.841 -4.894 1.00 34.01 O ATOM 267 H ASP A1003 -21.543 42.366 -4.668 1.00 0.00 H ATOM 268 N LYS A1004 -25.770 41.811 -4.423 1.00 30.73 N ATOM 269 CA LYS A1004 -26.892 42.354 -3.645 1.00 31.89 C ATOM 270 C LYS A1004 -27.004 41.722 -2.258 1.00 30.13 C ATOM 271 O LYS A1004 -27.381 42.393 -1.299 1.00 29.31 O ATOM 272 CB LYS A1004 -28.219 42.158 -4.388 1.00 35.14 C ATOM 273 CG LYS A1004 -28.288 42.806 -5.762 1.00 39.74 C ATOM 274 CD LYS A1004 -28.645 44.282 -5.703 1.00 43.12 C ATOM 275 CE LYS A1004 -28.873 44.850 -7.099 1.00 45.11 C ATOM 276 NZ LYS A1004 -27.598 45.192 -7.799 1.00 45.66 N ATOM 277 HZ1 LYS A1004 -27.080 45.904 -7.246 1.00 0.00 H ATOM 278 HZ2 LYS A1004 -27.016 44.335 -7.895 1.00 0.00 H ATOM 279 HZ3 LYS A1004 -27.813 45.573 -8.742 1.00 0.00 H ATOM 280 H LYS A1004 -25.966 41.366 -5.342 1.00 0.00 H ATOM 281 N ARG A1005 -26.668 40.437 -2.153 1.00 29.52 N ATOM 282 CA ARG A1005 -26.693 39.733 -0.869 1.00 29.41 C ATOM 283 C ARG A1005 -25.815 40.386 0.186 1.00 27.56 C ATOM 284 O ARG A1005 -26.115 40.298 1.371 1.00 27.93 O ATOM 285 CB ARG A1005 -26.206 38.296 -1.027 1.00 30.81 C ATOM 286 CG ARG A1005 -27.135 37.389 -1.806 1.00 32.50 C ATOM 287 CD ARG A1005 -26.497 36.024 -1.960 1.00 33.61 C ATOM 288 NE ARG A1005 -25.301 36.085 -2.793 1.00 34.84 N ATOM 289 CZ ARG A1005 -24.457 35.073 -2.987 1.00 36.19 C ATOM 290 NH1 ARG A1005 -24.661 33.895 -2.407 1.00 37.77 N ATOM 291 NH2 ARG A1005 -23.398 35.242 -3.769 1.00 36.20 N ATOM 292 HE ARG A1005 -25.092 36.985 -3.271 1.00 0.00 H ATOM 293 HH12 ARG A1005 -23.994 33.114 -2.568 1.00 0.00 H ATOM 294 HH11 ARG A1005 -25.488 33.754 -1.792 1.00 0.00 H ATOM 295 HH22 ARG A1005 -22.735 34.456 -3.924 1.00 0.00 H ATOM 296 HH21 ARG A1005 -23.231 36.161 -4.226 1.00 0.00 H ATOM 297 H ARG A1005 -26.380 39.919 -3.007 1.00 0.00 H ATOM 298 N PHE A1006 -24.725 41.016 -0.249 1.00 26.17 N ATOM 299 CA PHE A1006 -23.708 41.520 0.672 1.00 25.45 C ATOM 300 C PHE A1006 -23.761 43.032 0.911 1.00 26.76 C ATOM 301 O PHE A1006 -22.817 43.605 1.459 1.00 25.54 O ATOM 302 CB PHE A1006 -22.322 41.090 0.185 1.00 24.47 C ATOM 303 CG PHE A1006 -22.219 39.619 -0.140 1.00 24.36 C ATOM 304 CD1 PHE A1006 -22.867 38.664 0.643 1.00 25.14 C ATOM 305 CD2 PHE A1006 -21.462 39.184 -1.220 1.00 24.35 C ATOM 306 CE1 PHE A1006 -22.766 37.317 0.345 1.00 24.82 C ATOM 307 CE2 PHE A1006 -21.358 37.838 -1.521 1.00 24.90 C ATOM 308 CZ PHE A1006 -22.015 36.903 -0.741 1.00 25.21 C ATOM 309 H PHE A1006 -24.594 41.153 -1.272 1.00 0.00 H ATOM 310 N ARG A1007 -24.868 43.666 0.527 1.00 27.62 N ATOM 311 CA ARG A1007 -25.048 45.107 0.715 1.00 29.23 C ATOM 312 C ARG A1007 -24.814 45.524 2.162 1.00 28.22 C ATOM 313 O ARG A1007 -24.182 46.547 2.422 1.00 28.86 O ATOM 314 CB ARG A1007 -26.453 45.536 0.288 1.00 31.53 C ATOM 315 CG ARG A1007 -26.687 47.034 0.402 1.00 34.16 C ATOM 316 CD ARG A1007 -28.140 47.358 0.718 1.00 36.78 C ATOM 317 NE ARG A1007 -28.602 46.683 1.929 1.00 37.56 N ATOM 318 CZ ARG A1007 -28.313 47.080 3.165 1.00 37.89 C ATOM 319 NH1 ARG A1007 -27.559 48.151 3.366 1.00 38.57 N ATOM 320 NH2 ARG A1007 -28.778 46.400 4.203 1.00 38.20 N ATOM 321 HE ARG A1007 -29.196 45.837 1.817 1.00 0.00 H ATOM 322 HH12 ARG A1007 -27.337 48.456 4.335 1.00 0.00 H ATOM 323 HH11 ARG A1007 -27.189 48.687 2.555 1.00 0.00 H ATOM 324 HH22 ARG A1007 -28.553 46.709 5.170 1.00 0.00 H ATOM 325 HH21 ARG A1007 -29.368 45.557 4.050 1.00 0.00 H ATOM 326 H ARG A1007 -25.630 43.119 0.078 1.00 0.00 H ATOM 327 N VAL A1008 -25.311 44.715 3.095 1.00 27.48 N ATOM 328 CA VAL A1008 -25.186 44.992 4.530 1.00 27.96 C ATOM 329 C VAL A1008 -23.724 45.082 4.998 1.00 27.56 C ATOM 330 O VAL A1008 -23.428 45.772 5.973 1.00 27.79 O ATOM 331 CB VAL A1008 -25.948 43.940 5.372 1.00 28.57 C ATOM 332 CG1 VAL A1008 -25.326 42.556 5.218 1.00 28.67 C ATOM 333 CG2 VAL A1008 -26.008 44.361 6.838 1.00 29.96 C ATOM 334 H VAL A1008 -25.808 43.852 2.795 1.00 0.00 H ATOM 335 N PHE A1009 -22.824 44.406 4.286 1.00 26.57 N ATOM 336 CA PHE A1009 -21.392 44.404 4.617 1.00 26.27 C ATOM 337 C PHE A1009 -20.561 45.441 3.854 1.00 26.21 C ATOM 338 O PHE A1009 -19.345 45.474 4.011 1.00 25.79 O ATOM 339 CB PHE A1009 -20.806 43.011 4.347 1.00 25.42 C ATOM 340 CG PHE A1009 -21.571 41.900 4.999 1.00 25.08 C ATOM 341 CD1 PHE A1009 -21.750 41.885 6.374 1.00 24.82 C ATOM 342 CD2 PHE A1009 -22.114 40.869 4.241 1.00 25.59 C ATOM 343 CE1 PHE A1009 -22.466 40.868 6.985 1.00 25.62 C ATOM 344 CE2 PHE A1009 -22.823 39.844 4.847 1.00 25.05 C ATOM 345 CZ PHE A1009 -23.005 39.846 6.219 1.00 25.05 C ATOM 346 H PHE A1009 -23.147 43.858 3.463 1.00 0.00 H ATOM 347 N THR A1010 -21.191 46.273 3.027 1.00 27.53 N ATOM 348 CA THR A1010 -20.442 47.208 2.182 1.00 28.51 C ATOM 349 C THR A1010 -19.952 48.456 2.918 1.00 31.24 C ATOM 350 O THR A1010 -18.920 49.015 2.553 1.00 33.10 O ATOM 351 CB THR A1010 -21.243 47.645 0.941 1.00 29.41 C ATOM 352 OG1 THR A1010 -22.488 48.235 1.339 1.00 29.98 O ATOM 353 CG2 THR A1010 -21.493 46.451 0.023 1.00 28.37 C ATOM 354 HG1 THR A1010 -23.017 47.573 1.851 1.00 0.00 H ATOM 355 H THR A1010 -22.230 46.259 2.980 1.00 0.00 H ATOM 356 N LYS A1011 -20.682 48.883 3.944 1.00 31.90 N ATOM 357 CA LYS A1011 -20.342 50.096 4.692 1.00 35.13 C ATOM 358 C LYS A1011 -20.358 49.818 6.189 1.00 34.72 C ATOM 359 O LYS A1011 -20.983 48.856 6.632 1.00 32.08 O ATOM 360 CB LYS A1011 -21.341 51.214 4.373 1.00 38.27 C ATOM 361 CG LYS A1011 -21.433 51.595 2.900 1.00 40.91 C ATOM 362 CD LYS A1011 -20.103 52.120 2.378 1.00 44.15 C ATOM 363 CE LYS A1011 -20.184 52.585 0.931 1.00 47.36 C ATOM 364 NZ LYS A1011 -18.909 53.231 0.497 1.00 49.64 N ATOM 365 HZ1 LYS A1011 -18.717 54.056 1.100 1.00 0.00 H ATOM 366 HZ2 LYS A1011 -18.129 52.548 0.583 1.00 0.00 H ATOM 367 HZ3 LYS A1011 -18.996 53.537 -0.493 1.00 0.00 H ATOM 368 H LYS A1011 -21.522 48.338 4.225 1.00 0.00 H ATOM 369 N PRO A1012 -19.678 50.667 6.983 1.00 37.13 N ATOM 370 CA PRO A1012 -19.739 50.460 8.429 1.00 38.12 C ATOM 371 C PRO A1012 -21.164 50.596 8.961 1.00 39.04 C ATOM 372 O PRO A1012 -21.994 51.257 8.341 1.00 38.69 O ATOM 373 CB PRO A1012 -18.841 51.576 8.994 1.00 39.81 C ATOM 374 CG PRO A1012 -18.005 52.040 7.849 1.00 40.31 C ATOM 375 CD PRO A1012 -18.846 51.830 6.624 1.00 38.91 C ATOM 376 N VAL A1013 -21.437 49.958 10.094 1.00 43.11 N ATOM 377 CA VAL A1013 -22.744 50.053 10.745 1.00 45.87 C ATOM 378 C VAL A1013 -22.984 51.485 11.227 1.00 50.15 C ATOM 379 O VAL A1013 -22.110 52.088 11.846 1.00 52.01 O ATOM 380 CB VAL A1013 -22.844 49.089 11.949 1.00 45.25 C ATOM 381 CG1 VAL A1013 -24.169 49.270 12.672 1.00 45.43 C ATOM 382 CG2 VAL A1013 -22.680 47.645 11.495 1.00 44.15 C ATOM 383 H VAL A1013 -20.698 49.372 10.532 1.00 0.00 H ATOM 384 N ASP A1014 -24.165 52.023 10.927 1.00 54.16 N ATOM 385 CA ASP A1014 -24.554 53.363 11.371 1.00 59.46 C ATOM 386 C ASP A1014 -24.920 53.311 12.857 1.00 61.23 C ATOM 387 O ASP A1014 -25.831 52.572 13.235 1.00 61.32 O ATOM 388 CB ASP A1014 -25.748 53.858 10.542 1.00 61.57 C ATOM 389 CG ASP A1014 -26.185 55.275 10.901 1.00 65.11 C ATOM 390 OD1 ASP A1014 -25.361 56.068 11.402 1.00 67.38 O ATOM 391 OD2 ASP A1014 -27.367 55.598 10.663 1.00 66.40 O ATOM 392 H ASP A1014 -24.836 51.471 10.356 1.00 0.00 H ATOM 393 N PRO A1015 -24.214 54.088 13.708 1.00 63.98 N ATOM 394 CA PRO A1015 -24.520 54.046 15.145 1.00 66.77 C ATOM 395 C PRO A1015 -25.933 54.525 15.491 1.00 68.76 C ATOM 396 O PRO A1015 -26.484 54.114 16.511 1.00 68.63 O ATOM 397 CB PRO A1015 -23.464 54.973 15.764 1.00 68.35 C ATOM 398 CG PRO A1015 -23.022 55.855 14.649 1.00 67.76 C ATOM 399 CD PRO A1015 -23.097 55.005 13.417 1.00 65.38 C ATOM 400 N ASP A1016 -26.509 55.378 14.647 1.00 71.03 N ATOM 401 CA ASP A1016 -27.883 55.846 14.842 1.00 73.95 C ATOM 402 C ASP A1016 -28.892 54.706 14.692 1.00 71.94 C ATOM 403 O ASP A1016 -29.893 54.662 15.409 1.00 72.49 O ATOM 404 CB ASP A1016 -28.215 56.974 13.859 1.00 76.73 C ATOM 405 CG ASP A1016 -27.340 58.205 14.056 1.00 79.94 C ATOM 406 OD1 ASP A1016 -26.996 58.524 15.215 1.00 79.22 O ATOM 407 OD2 ASP A1016 -26.999 58.855 13.046 1.00 83.09 O ATOM 408 H ASP A1016 -25.969 55.721 13.827 1.00 0.00 H ATOM 409 N GLU A1017 -28.625 53.789 13.763 1.00 68.96 N ATOM 410 CA GLU A1017 -29.467 52.607 13.579 1.00 66.58 C ATOM 411 C GLU A1017 -29.182 51.559 14.654 1.00 63.10 C ATOM 412 O GLU A1017 -30.109 51.029 15.266 1.00 63.79 O ATOM 413 CB GLU A1017 -29.251 52.001 12.187 1.00 68.65 C ATOM 414 CG GLU A1017 -30.129 50.790 11.883 1.00 69.38 C ATOM 415 CD GLU A1017 -29.923 50.236 10.482 1.00 71.18 C ATOM 416 OE1 GLU A1017 -28.962 50.650 9.797 1.00 71.91 O ATOM 417 OE2 GLU A1017 -30.726 49.374 10.063 1.00 73.50 O ATOM 418 H GLU A1017 -27.794 53.917 13.151 1.00 0.00 H ATOM 419 N VAL A1018 -27.901 51.264 14.874 1.00 58.33 N ATOM 420 CA VAL A1018 -27.478 50.214 15.805 1.00 54.35 C ATOM 421 C VAL A1018 -26.478 50.780 16.821 1.00 53.96 C ATOM 422 O VAL A1018 -25.267 50.692 16.615 1.00 50.74 O ATOM 423 CB VAL A1018 -26.834 49.035 15.043 1.00 53.16 C ATOM 424 CG1 VAL A1018 -26.656 47.842 15.962 1.00 50.60 C ATOM 425 CG2 VAL A1018 -27.674 48.650 13.835 1.00 53.59 C ATOM 426 H VAL A1018 -27.171 51.801 14.364 1.00 0.00 H ATOM 427 N PRO A1019 -26.981 51.359 17.931 1.00 54.25 N ATOM 428 CA PRO A1019 -26.109 52.087 18.863 1.00 54.66 C ATOM 429 C PRO A1019 -25.182 51.226 19.723 1.00 52.47 C ATOM 430 O PRO A1019 -24.122 51.702 20.127 1.00 53.26 O ATOM 431 CB PRO A1019 -27.102 52.856 19.746 1.00 56.68 C ATOM 432 CG PRO A1019 -28.349 52.048 19.710 1.00 56.07 C ATOM 433 CD PRO A1019 -28.392 51.376 18.365 1.00 55.04 C ATOM 434 N ASP A1020 -25.565 49.982 20.001 1.00 51.13 N ATOM 435 CA ASP A1020 -24.737 49.105 20.838 1.00 52.13 C ATOM 436 C ASP A1020 -23.709 48.286 20.042 1.00 48.97 C ATOM 437 O ASP A1020 -22.962 47.498 20.628 1.00 49.11 O ATOM 438 CB ASP A1020 -25.616 48.170 21.679 1.00 54.66 C ATOM 439 CG ASP A1020 -26.288 47.090 20.852 1.00 56.78 C ATOM 440 OD1 ASP A1020 -26.700 47.383 19.710 1.00 59.32 O ATOM 441 OD2 ASP A1020 -26.408 45.951 21.351 1.00 58.28 O ATOM 442 H ASP A1020 -26.465 49.626 19.619 1.00 0.00 H ATOM 443 N TYR A1021 -23.663 48.472 18.724 1.00 46.40 N ATOM 444 CA TYR A1021 -22.742 47.701 17.879 1.00 44.20 C ATOM 445 C TYR A1021 -21.289 47.953 18.272 1.00 46.36 C ATOM 446 O TYR A1021 -20.527 47.008 18.475 1.00 45.67 O ATOM 447 CB TYR A1021 -22.951 48.019 16.393 1.00 41.85 C ATOM 448 CG TYR A1021 -22.243 47.048 15.469 1.00 38.72 C ATOM 449 CD1 TYR A1021 -22.848 45.856 15.084 1.00 37.09 C ATOM 450 CD2 TYR A1021 -20.961 47.316 14.995 1.00 38.50 C ATOM 451 CE1 TYR A1021 -22.202 44.961 14.245 1.00 36.07 C ATOM 452 CE2 TYR A1021 -20.304 46.428 14.157 1.00 37.07 C ATOM 453 CZ TYR A1021 -20.928 45.254 13.785 1.00 35.48 C ATOM 454 OH TYR A1021 -20.277 44.367 12.960 1.00 34.53 O ATOM 455 HH TYR A1021 -20.860 43.585 12.793 1.00 0.00 H ATOM 456 H TYR A1021 -24.291 49.176 18.285 1.00 0.00 H ATOM 457 N VAL A1022 -20.919 49.228 18.388 1.00 49.40 N ATOM 458 CA VAL A1022 -19.551 49.624 18.744 1.00 53.18 C ATOM 459 C VAL A1022 -19.100 49.041 20.086 1.00 54.14 C ATOM 460 O VAL A1022 -17.922 48.718 20.262 1.00 54.46 O ATOM 461 CB VAL A1022 -19.401 51.164 18.764 1.00 56.71 C ATOM 462 CG1 VAL A1022 -18.120 51.587 19.469 1.00 59.53 C ATOM 463 CG2 VAL A1022 -19.426 51.710 17.344 1.00 56.76 C ATOM 464 H VAL A1022 -21.627 49.971 18.220 1.00 0.00 H ATOM 465 N THR A1023 -20.035 48.899 21.023 1.00 54.34 N ATOM 466 CA THR A1023 -19.729 48.318 22.331 1.00 55.37 C ATOM 467 C THR A1023 -19.619 46.789 22.280 1.00 53.21 C ATOM 468 O THR A1023 -18.778 46.207 22.965 1.00 55.26 O ATOM 469 CB THR A1023 -20.765 48.739 23.395 1.00 57.34 C ATOM 470 OG1 THR A1023 -22.069 48.282 23.018 1.00 59.82 O ATOM 471 CG2 THR A1023 -20.787 50.254 23.541 1.00 59.05 C ATOM 472 HG1 THR A1023 -22.317 48.679 22.146 1.00 0.00 H ATOM 473 H THR A1023 -21.007 49.209 20.821 1.00 0.00 H ATOM 474 N VAL A1024 -20.454 46.143 21.467 1.00 49.91 N ATOM 475 CA VAL A1024 -20.440 44.680 21.349 1.00 47.11 C ATOM 476 C VAL A1024 -19.319 44.175 20.428 1.00 45.05 C ATOM 477 O VAL A1024 -18.625 43.211 20.757 1.00 44.12 O ATOM 478 CB VAL A1024 -21.802 44.145 20.855 1.00 46.54 C ATOM 479 CG1 VAL A1024 -21.744 42.641 20.621 1.00 45.86 C ATOM 480 CG2 VAL A1024 -22.898 44.490 21.855 1.00 47.75 C ATOM 481 H VAL A1024 -21.134 46.690 20.901 1.00 0.00 H ATOM 482 N ILE A1025 -19.146 44.826 19.281 1.00 42.63 N ATOM 483 CA ILE A1025 -18.150 44.404 18.291 1.00 40.82 C ATOM 484 C ILE A1025 -16.899 45.280 18.380 1.00 42.47 C ATOM 485 O ILE A1025 -16.933 46.462 18.036 1.00 42.75 O ATOM 486 CB ILE A1025 -18.733 44.452 16.865 1.00 37.85 C ATOM 487 CG1 ILE A1025 -19.901 43.467 16.737 1.00 36.43 C ATOM 488 CG2 ILE A1025 -17.663 44.131 15.830 1.00 36.28 C ATOM 489 CD1 ILE A1025 -19.524 42.016 16.950 1.00 35.89 C ATOM 490 H ILE A1025 -19.735 45.659 19.080 1.00 0.00 H ATOM 491 N LYS A1026 -15.795 44.683 18.826 1.00 44.05 N ATOM 492 CA LYS A1026 -14.577 45.435 19.160 1.00 46.41 C ATOM 493 C LYS A1026 -13.740 45.860 17.957 1.00 44.27 C ATOM 494 O LYS A1026 -13.079 46.899 18.015 1.00 44.29 O ATOM 495 CB LYS A1026 -13.719 44.647 20.155 1.00 50.36 C ATOM 496 CG LYS A1026 -14.404 44.396 21.493 1.00 53.74 C ATOM 497 CD LYS A1026 -15.038 45.664 22.051 1.00 56.39 C ATOM 498 CE LYS A1026 -15.605 45.463 23.441 1.00 59.26 C ATOM 499 NZ LYS A1026 -16.277 46.705 23.916 1.00 61.22 N ATOM 500 HZ1 LYS A1026 -15.587 47.483 23.941 1.00 0.00 H ATOM 501 HZ2 LYS A1026 -17.052 46.948 23.267 1.00 0.00 H ATOM 502 HZ3 LYS A1026 -16.659 46.548 24.870 1.00 0.00 H ATOM 503 H LYS A1026 -15.795 43.649 18.942 1.00 0.00 H ATOM 504 N GLN A1027 -13.749 45.069 16.883 1.00 41.71 N ATOM 505 CA GLN A1027 -13.092 45.458 15.638 1.00 40.08 C ATOM 506 C GLN A1027 -14.071 45.357 14.466 1.00 38.93 C ATOM 507 O GLN A1027 -14.088 44.345 13.753 1.00 35.68 O ATOM 508 CB GLN A1027 -11.847 44.601 15.387 1.00 39.57 C ATOM 509 CG GLN A1027 -11.001 45.107 14.230 1.00 38.50 C ATOM 510 CD GLN A1027 -9.641 44.449 14.154 1.00 38.04 C ATOM 511 OE1 GLN A1027 -8.734 44.964 13.503 1.00 36.78 O ATOM 512 NE2 GLN A1027 -9.489 43.310 14.819 1.00 38.46 N ATOM 513 HE22 GLN A1027 -10.285 42.911 15.357 1.00 0.00 H ATOM 514 HE21 GLN A1027 -8.574 42.816 14.802 1.00 0.00 H ATOM 515 H GLN A1027 -14.236 44.152 16.933 1.00 0.00 H ATOM 516 N PRO A1028 -14.899 46.399 14.270 1.00 38.38 N ATOM 517 CA PRO A1028 -15.808 46.391 13.134 1.00 37.05 C ATOM 518 C PRO A1028 -15.026 46.305 11.834 1.00 35.02 C ATOM 519 O PRO A1028 -13.931 46.859 11.731 1.00 33.13 O ATOM 520 CB PRO A1028 -16.529 47.744 13.235 1.00 38.51 C ATOM 521 CG PRO A1028 -16.332 48.198 14.637 1.00 40.42 C ATOM 522 CD PRO A1028 -15.008 47.646 15.051 1.00 39.91 C ATOM 523 N MET A1029 -15.577 45.590 10.863 1.00 32.34 N ATOM 524 CA MET A1029 -14.961 45.477 9.554 1.00 32.14 C ATOM 525 C MET A1029 -16.063 45.415 8.513 1.00 30.72 C ATOM 526 O MET A1029 -17.120 44.840 8.750 1.00 29.92 O ATOM 527 CB MET A1029 -14.087 44.225 9.474 1.00 31.75 C ATOM 528 CG MET A1029 -13.252 44.110 8.200 1.00 32.12 C ATOM 529 SD MET A1029 -12.147 45.508 7.898 1.00 34.06 S ATOM 530 CE MET A1029 -11.174 45.503 9.405 1.00 33.49 C ATOM 531 H MET A1029 -16.475 45.097 11.044 1.00 0.00 H ATOM 532 N ASP A1030 -15.806 46.035 7.373 1.00 30.81 N ATOM 533 CA ASP A1030 -16.741 46.051 6.260 1.00 31.14 C ATOM 534 C ASP A1030 -15.934 46.169 4.975 1.00 29.22 C ATOM 535 O ASP A1030 -14.729 46.422 5.024 1.00 28.86 O ATOM 536 CB ASP A1030 -17.705 47.229 6.401 1.00 33.30 C ATOM 537 CG ASP A1030 -17.010 48.564 6.255 1.00 38.13 C ATOM 538 OD1 ASP A1030 -16.418 49.052 7.240 1.00 42.50 O ATOM 539 OD2 ASP A1030 -17.049 49.126 5.145 1.00 39.98 O ATOM 540 H ASP A1030 -14.898 46.531 7.269 1.00 0.00 H ATOM 541 N LEU A1031 -16.590 45.993 3.830 1.00 27.27 N ATOM 542 CA LEU A1031 -15.877 45.953 2.547 1.00 26.69 C ATOM 543 C LEU A1031 -15.276 47.306 2.135 1.00 27.56 C ATOM 544 O LEU A1031 -14.267 47.338 1.430 1.00 26.97 O ATOM 545 CB LEU A1031 -16.776 45.389 1.435 1.00 25.38 C ATOM 546 CG LEU A1031 -17.248 43.940 1.647 1.00 24.69 C ATOM 547 CD1 LEU A1031 -18.317 43.551 0.633 1.00 24.24 C ATOM 548 CD2 LEU A1031 -16.077 42.969 1.598 1.00 24.31 C ATOM 549 H LEU A1031 -17.624 45.882 3.844 1.00 0.00 H ATOM 550 N SER A1032 -15.872 48.418 2.562 1.00 29.57 N ATOM 551 CA SER A1032 -15.260 49.723 2.291 1.00 30.98 C ATOM 552 C SER A1032 -13.970 49.892 3.094 1.00 31.08 C ATOM 553 O SER A1032 -12.989 50.420 2.575 1.00 32.12 O ATOM 554 CB SER A1032 -16.227 50.877 2.592 1.00 32.61 C ATOM 555 OG SER A1032 -16.466 51.014 3.982 1.00 33.02 O ATOM 556 HG SER A1032 -16.862 50.177 4.332 1.00 0.00 H ATOM 557 H SER A1032 -16.769 48.361 3.086 1.00 0.00 H ATOM 558 N SER A1033 -13.971 49.426 4.343 1.00 30.62 N ATOM 559 CA SER A1033 -12.764 49.447 5.176 1.00 31.83 C ATOM 560 C SER A1033 -11.674 48.558 4.575 1.00 29.69 C ATOM 561 O SER A1033 -10.493 48.907 4.608 1.00 28.91 O ATOM 562 CB SER A1033 -13.077 49.006 6.608 1.00 33.95 C ATOM 563 OG SER A1033 -14.003 49.889 7.219 1.00 37.39 O ATOM 564 HG SER A1033 -14.844 49.896 6.697 1.00 0.00 H ATOM 565 H SER A1033 -14.851 49.037 4.737 1.00 0.00 H ATOM 566 N VAL A1034 -12.078 47.419 4.016 1.00 26.78 N ATOM 567 CA VAL A1034 -11.144 46.526 3.331 1.00 25.08 C ATOM 568 C VAL A1034 -10.486 47.231 2.136 1.00 24.63 C ATOM 569 O VAL A1034 -9.271 47.153 1.977 1.00 24.13 O ATOM 570 CB VAL A1034 -11.833 45.218 2.884 1.00 24.03 C ATOM 571 CG1 VAL A1034 -10.953 44.427 1.918 1.00 23.46 C ATOM 572 CG2 VAL A1034 -12.195 44.371 4.100 1.00 24.43 C ATOM 573 H VAL A1034 -13.083 47.158 4.068 1.00 0.00 H ATOM 574 N ILE A1035 -11.275 47.931 1.320 1.00 24.85 N ATOM 575 CA ILE A1035 -10.729 48.687 0.183 1.00 26.66 C ATOM 576 C ILE A1035 -9.735 49.757 0.639 1.00 27.18 C ATOM 577 O ILE A1035 -8.662 49.906 0.054 1.00 26.16 O ATOM 578 CB ILE A1035 -11.846 49.345 -0.657 1.00 29.26 C ATOM 579 CG1 ILE A1035 -12.597 48.279 -1.463 1.00 30.08 C ATOM 580 CG2 ILE A1035 -11.273 50.397 -1.596 1.00 30.53 C ATOM 581 CD1 ILE A1035 -11.735 47.565 -2.481 1.00 31.03 C ATOM 582 H ILE A1035 -12.301 47.943 1.492 1.00 0.00 H ATOM 583 N SER A1036 -10.087 50.490 1.691 1.00 28.38 N ATOM 584 CA SER A1036 -9.179 51.488 2.255 1.00 29.78 C ATOM 585 C SER A1036 -7.865 50.848 2.708 1.00 28.99 C ATOM 586 O SER A1036 -6.792 51.394 2.467 1.00 29.98 O ATOM 587 CB SER A1036 -9.834 52.221 3.429 1.00 32.29 C ATOM 588 OG SER A1036 -10.979 52.937 3.002 1.00 34.58 O ATOM 589 HG SER A1036 -11.384 53.402 3.777 1.00 0.00 H ATOM 590 H SER A1036 -11.024 50.351 2.120 1.00 0.00 H ATOM 591 N LYS A1037 -7.956 49.693 3.363 1.00 28.12 N ATOM 592 CA LYS A1037 -6.770 48.984 3.847 1.00 27.91 C ATOM 593 C LYS A1037 -5.894 48.462 2.703 1.00 26.77 C ATOM 594 O LYS A1037 -4.669 48.492 2.800 1.00 26.74 O ATOM 595 CB LYS A1037 -7.164 47.850 4.797 1.00 27.58 C ATOM 596 CG LYS A1037 -7.624 48.349 6.162 1.00 29.59 C ATOM 597 CD LYS A1037 -7.964 47.215 7.114 1.00 29.76 C ATOM 598 CE LYS A1037 -6.720 46.486 7.604 1.00 30.65 C ATOM 599 NZ LYS A1037 -7.044 45.528 8.698 1.00 32.12 N ATOM 600 HZ1 LYS A1037 -7.460 46.046 9.499 1.00 0.00 H ATOM 601 HZ2 LYS A1037 -7.724 44.822 8.349 1.00 0.00 H ATOM 602 HZ3 LYS A1037 -6.174 45.050 9.007 1.00 0.00 H ATOM 603 H LYS A1037 -8.896 49.283 3.536 1.00 0.00 H ATOM 604 N ILE A1038 -6.516 48.004 1.618 1.00 25.34 N ATOM 605 CA ILE A1038 -5.763 47.623 0.422 1.00 25.25 C ATOM 606 C ILE A1038 -4.951 48.818 -0.081 1.00 26.61 C ATOM 607 O ILE A1038 -3.747 48.703 -0.339 1.00 26.90 O ATOM 608 CB ILE A1038 -6.675 47.131 -0.729 1.00 24.31 C ATOM 609 CG1 ILE A1038 -7.346 45.799 -0.374 1.00 24.12 C ATOM 610 CG2 ILE A1038 -5.863 46.959 -2.005 1.00 24.03 C ATOM 611 CD1 ILE A1038 -8.516 45.441 -1.278 1.00 24.40 C ATOM 612 H ILE A1038 -7.552 47.916 1.621 1.00 0.00 H ATOM 613 N ASP A1039 -5.615 49.966 -0.200 1.00 27.78 N ATOM 614 CA ASP A1039 -4.988 51.178 -0.723 1.00 29.82 C ATOM 615 C ASP A1039 -3.941 51.766 0.229 1.00 30.41 C ATOM 616 O ASP A1039 -3.053 52.492 -0.211 1.00 31.87 O ATOM 617 CB ASP A1039 -6.048 52.235 -1.047 1.00 32.55 C ATOM 618 CG ASP A1039 -6.993 51.803 -2.167 1.00 34.07 C ATOM 619 OD1 ASP A1039 -6.673 50.844 -2.905 1.00 35.06 O ATOM 620 OD2 ASP A1039 -8.063 52.429 -2.308 1.00 35.57 O ATOM 621 H ASP A1039 -6.613 50.001 0.089 1.00 0.00 H ATOM 622 N LEU A1040 -4.047 51.449 1.518 1.00 29.61 N ATOM 623 CA LEU A1040 -3.045 51.852 2.516 1.00 30.38 C ATOM 624 C LEU A1040 -1.894 50.836 2.642 1.00 30.34 C ATOM 625 O LEU A1040 -1.040 50.972 3.524 1.00 30.79 O ATOM 626 CB LEU A1040 -3.714 52.063 3.883 1.00 30.50 C ATOM 627 CG LEU A1040 -4.557 53.331 4.044 1.00 31.86 C ATOM 628 CD1 LEU A1040 -5.445 53.237 5.274 1.00 31.79 C ATOM 629 CD2 LEU A1040 -3.661 54.561 4.113 1.00 33.27 C ATOM 630 H LEU A1040 -4.870 50.895 1.831 1.00 0.00 H ATOM 631 N HIS A1041 -1.878 49.828 1.766 1.00 29.29 N ATOM 632 CA HIS A1041 -0.826 48.803 1.719 1.00 30.09 C ATOM 633 C HIS A1041 -0.789 47.967 2.976 1.00 31.42 C ATOM 634 O HIS A1041 0.275 47.524 3.409 1.00 32.29 O ATOM 635 CB HIS A1041 0.546 49.428 1.443 1.00 31.52 C ATOM 636 CG HIS A1041 0.640 50.152 0.121 1.00 32.46 C ATOM 637 ND1 HIS A1041 1.820 50.484 -0.433 1.00 35.24 N ATOM 638 CD2 HIS A1041 -0.346 50.586 -0.767 1.00 33.18 C ATOM 639 CE1 HIS A1041 1.605 51.111 -1.607 1.00 35.33 C ATOM 640 NE2 HIS A1041 0.281 51.174 -1.809 1.00 34.61 N ATOM 641 H HIS A1041 -2.655 49.765 1.077 1.00 0.00 H ATOM 642 N LYS A1042 -1.960 47.732 3.560 1.00 30.67 N ATOM 643 CA LYS A1042 -2.071 46.983 4.810 1.00 32.09 C ATOM 644 C LYS A1042 -2.015 45.472 4.612 1.00 30.84 C ATOM 645 O LYS A1042 -1.736 44.743 5.561 1.00 32.52 O ATOM 646 CB LYS A1042 -3.372 47.333 5.525 1.00 34.01 C ATOM 647 CG LYS A1042 -3.511 48.797 5.913 1.00 38.13 C ATOM 648 CD LYS A1042 -2.537 49.177 7.008 1.00 40.83 C ATOM 649 CE LYS A1042 -2.852 50.553 7.573 1.00 43.87 C ATOM 650 NZ LYS A1042 -1.751 51.038 8.444 1.00 46.10 N ATOM 651 HZ1 LYS A1042 -1.619 50.375 9.235 1.00 0.00 H ATOM 652 HZ2 LYS A1042 -0.873 51.098 7.890 1.00 0.00 H ATOM 653 HZ3 LYS A1042 -1.993 51.979 8.815 1.00 0.00 H ATOM 654 H LYS A1042 -2.826 48.093 3.112 1.00 0.00 H ATOM 655 N TYR A1043 -2.309 45.003 3.400 1.00 27.89 N ATOM 656 CA TYR A1043 -2.284 43.576 3.102 1.00 27.28 C ATOM 657 C TYR A1043 -1.061 43.252 2.257 1.00 28.26 C ATOM 658 O TYR A1043 -0.918 43.769 1.152 1.00 29.26 O ATOM 659 CB TYR A1043 -3.546 43.154 2.348 1.00 25.71 C ATOM 660 CG TYR A1043 -4.840 43.486 3.054 1.00 25.42 C ATOM 661 CD1 TYR A1043 -5.129 42.964 4.312 1.00 25.49 C ATOM 662 CD2 TYR A1043 -5.786 44.313 2.457 1.00 25.58 C ATOM 663 CE1 TYR A1043 -6.324 43.262 4.957 1.00 26.43 C ATOM 664 CE2 TYR A1043 -6.978 44.615 3.093 1.00 25.56 C ATOM 665 CZ TYR A1043 -7.245 44.089 4.339 1.00 25.71 C ATOM 666 OH TYR A1043 -8.433 44.401 4.963 1.00 25.70 O ATOM 667 HH TYR A1043 -8.471 43.948 5.842 1.00 0.00 H ATOM 668 H TYR A1043 -2.563 45.673 2.646 1.00 0.00 H ATOM 669 N LEU A1044 -0.173 42.417 2.788 1.00 28.65 N ATOM 670 CA LEU A1044 0.974 41.923 2.031 1.00 29.11 C ATOM 671 C LEU A1044 0.775 40.488 1.555 1.00 27.59 C ATOM 672 O LEU A1044 1.579 39.979 0.780 1.00 26.65 O ATOM 673 CB LEU A1044 2.256 42.028 2.863 1.00 31.70 C ATOM 674 CG LEU A1044 2.647 43.444 3.293 1.00 34.96 C ATOM 675 CD1 LEU A1044 4.024 43.428 3.941 1.00 36.94 C ATOM 676 CD2 LEU A1044 2.622 44.407 2.111 1.00 35.58 C ATOM 677 H LEU A1044 -0.299 42.106 3.772 1.00 0.00 H ATOM 678 N THR A1045 -0.292 39.839 2.016 1.00 26.48 N ATOM 679 CA THR A1045 -0.638 38.502 1.558 1.00 26.18 C ATOM 680 C THR A1045 -2.154 38.348 1.477 1.00 25.44 C ATOM 681 O THR A1045 -2.913 39.110 2.089 1.00 23.91 O ATOM 682 CB THR A1045 -0.099 37.406 2.500 1.00 27.04 C ATOM 683 OG1 THR A1045 -0.849 37.412 3.720 1.00 28.26 O ATOM 684 CG2 THR A1045 1.399 37.600 2.801 1.00 27.61 C ATOM 685 HG1 THR A1045 -0.502 36.708 4.323 1.00 0.00 H ATOM 686 H THR A1045 -0.896 40.302 2.725 1.00 0.00 H ATOM 687 N VAL A1046 -2.592 37.349 0.724 1.00 26.16 N ATOM 688 CA VAL A1046 -4.022 37.063 0.622 1.00 26.09 C ATOM 689 C VAL A1046 -4.516 36.489 1.951 1.00 26.84 C ATOM 690 O VAL A1046 -5.662 36.701 2.341 1.00 26.33 O ATOM 691 CB VAL A1046 -4.336 36.123 -0.559 1.00 26.58 C ATOM 692 CG1 VAL A1046 -5.836 35.858 -0.647 1.00 26.77 C ATOM 693 CG2 VAL A1046 -3.837 36.736 -1.863 1.00 27.27 C ATOM 694 H VAL A1046 -1.911 36.763 0.200 1.00 0.00 H ATOM 695 N LYS A1047 -3.640 35.789 2.667 1.00 29.39 N ATOM 696 CA LYS A1047 -3.983 35.286 3.996 1.00 31.34 C ATOM 697 C LYS A1047 -4.398 36.421 4.949 1.00 31.92 C ATOM 698 O LYS A1047 -5.371 36.289 5.691 1.00 32.66 O ATOM 699 CB LYS A1047 -2.806 34.493 4.567 1.00 34.46 C ATOM 700 CG LYS A1047 -3.128 33.646 5.781 1.00 37.66 C ATOM 701 CD LYS A1047 -1.884 32.888 6.229 1.00 40.03 C ATOM 702 CE LYS A1047 -1.966 32.469 7.690 1.00 42.99 C ATOM 703 NZ LYS A1047 -0.618 32.477 8.327 1.00 45.81 N ATOM 704 HZ1 LYS A1047 0.005 31.813 7.824 1.00 0.00 H ATOM 705 HZ2 LYS A1047 -0.218 33.436 8.277 1.00 0.00 H ATOM 706 HZ3 LYS A1047 -0.704 32.187 9.322 1.00 0.00 H ATOM 707 H LYS A1047 -2.696 35.597 2.275 1.00 0.00 H ATOM 708 N ASP A1048 -3.677 37.539 4.915 1.00 32.09 N ATOM 709 CA ASP A1048 -4.014 38.693 5.751 1.00 33.11 C ATOM 710 C ASP A1048 -5.355 39.308 5.343 1.00 30.73 C ATOM 711 O ASP A1048 -6.143 39.717 6.189 1.00 29.63 O ATOM 712 CB ASP A1048 -2.915 39.753 5.678 1.00 36.63 C ATOM 713 CG ASP A1048 -1.614 39.298 6.329 1.00 41.49 C ATOM 714 OD1 ASP A1048 -1.658 38.485 7.279 1.00 45.55 O ATOM 715 OD2 ASP A1048 -0.548 39.761 5.890 1.00 46.37 O ATOM 716 H ASP A1048 -2.855 37.594 4.280 1.00 0.00 H ATOM 717 N TYR A1049 -5.597 39.376 4.038 1.00 27.95 N ATOM 718 CA TYR A1049 -6.884 39.833 3.505 1.00 26.31 C ATOM 719 C TYR A1049 -8.034 38.943 3.973 1.00 26.57 C ATOM 720 O TYR A1049 -9.075 39.437 4.411 1.00 25.59 O ATOM 721 CB TYR A1049 -6.816 39.850 1.982 1.00 24.58 C ATOM 722 CG TYR A1049 -8.125 40.079 1.275 1.00 23.41 C ATOM 723 CD1 TYR A1049 -8.574 41.367 1.005 1.00 23.04 C ATOM 724 CD2 TYR A1049 -8.901 39.004 0.841 1.00 23.10 C ATOM 725 CE1 TYR A1049 -9.765 41.582 0.336 1.00 22.47 C ATOM 726 CE2 TYR A1049 -10.098 39.211 0.174 1.00 22.64 C ATOM 727 CZ TYR A1049 -10.526 40.501 -0.072 1.00 22.78 C ATOM 728 OH TYR A1049 -11.708 40.711 -0.750 1.00 23.34 O ATOM 729 HH TYR A1049 -11.866 41.684 -0.841 1.00 0.00 H ATOM 730 H TYR A1049 -4.848 39.096 3.373 1.00 0.00 H ATOM 731 N LEU A1050 -7.841 37.631 3.881 1.00 26.66 N ATOM 732 CA LEU A1050 -8.880 36.682 4.287 1.00 28.05 C ATOM 733 C LEU A1050 -9.176 36.717 5.789 1.00 29.29 C ATOM 734 O LEU A1050 -10.278 36.357 6.206 1.00 28.21 O ATOM 735 CB LEU A1050 -8.533 35.262 3.830 1.00 28.51 C ATOM 736 CG LEU A1050 -8.735 35.038 2.329 1.00 29.31 C ATOM 737 CD1 LEU A1050 -8.195 33.679 1.908 1.00 31.61 C ATOM 738 CD2 LEU A1050 -10.204 35.179 1.946 1.00 28.70 C ATOM 739 H LEU A1050 -6.936 37.272 3.514 1.00 0.00 H ATOM 740 N ARG A1051 -8.208 37.155 6.595 1.00 30.84 N ATOM 741 CA ARG A1051 -8.453 37.407 8.017 1.00 32.60 C ATOM 742 C ARG A1051 -9.519 38.479 8.226 1.00 29.78 C ATOM 743 O ARG A1051 -10.368 38.347 9.101 1.00 26.99 O ATOM 744 CB ARG A1051 -7.170 37.823 8.748 1.00 37.56 C ATOM 745 CG ARG A1051 -6.540 36.722 9.580 1.00 43.94 C ATOM 746 CD ARG A1051 -5.317 37.232 10.335 1.00 48.46 C ATOM 747 NE ARG A1051 -4.058 36.777 9.743 1.00 53.89 N ATOM 748 CZ ARG A1051 -3.462 35.616 10.017 1.00 58.12 C ATOM 749 NH1 ARG A1051 -3.998 34.751 10.877 1.00 60.77 N ATOM 750 NH2 ARG A1051 -2.313 35.312 9.423 1.00 59.84 N ATOM 751 HE ARG A1051 -3.594 37.406 9.057 1.00 0.00 H ATOM 752 HH12 ARG A1051 -3.517 33.851 11.077 1.00 0.00 H ATOM 753 HH11 ARG A1051 -4.897 34.976 11.348 1.00 0.00 H ATOM 754 HH22 ARG A1051 -1.843 34.408 9.632 1.00 0.00 H ATOM 755 HH21 ARG A1051 -1.884 35.978 8.749 1.00 0.00 H ATOM 756 H ARG A1051 -7.258 37.321 6.205 1.00 0.00 H ATOM 757 N ASP A1052 -9.479 39.537 7.423 1.00 27.94 N ATOM 758 CA ASP A1052 -10.500 40.585 7.515 1.00 27.40 C ATOM 759 C ASP A1052 -11.854 40.147 6.935 1.00 25.71 C ATOM 760 O ASP A1052 -12.904 40.523 7.468 1.00 24.97 O ATOM 761 CB ASP A1052 -10.015 41.890 6.879 1.00 28.11 C ATOM 762 CG ASP A1052 -9.163 42.720 7.830 1.00 30.82 C ATOM 763 OD1 ASP A1052 -9.127 42.403 9.042 1.00 31.40 O ATOM 764 OD2 ASP A1052 -8.540 43.702 7.372 1.00 31.55 O ATOM 765 H ASP A1052 -8.716 39.622 6.722 1.00 0.00 H ATOM 766 N ILE A1053 -11.843 39.339 5.878 1.00 24.56 N ATOM 767 CA ILE A1053 -13.095 38.766 5.371 1.00 24.98 C ATOM 768 C ILE A1053 -13.713 37.859 6.444 1.00 25.10 C ATOM 769 O ILE A1053 -14.915 37.931 6.713 1.00 25.77 O ATOM 770 CB ILE A1053 -12.887 37.966 4.063 1.00 24.95 C ATOM 771 CG1 ILE A1053 -12.396 38.878 2.927 1.00 25.54 C ATOM 772 CG2 ILE A1053 -14.175 37.255 3.665 1.00 25.58 C ATOM 773 CD1 ILE A1053 -13.312 40.040 2.598 1.00 26.32 C ATOM 774 H ILE A1053 -10.943 39.113 5.409 1.00 0.00 H ATOM 775 N ASP A1054 -12.886 37.020 7.066 1.00 25.99 N ATOM 776 CA ASP A1054 -13.329 36.173 8.173 1.00 28.71 C ATOM 777 C ASP A1054 -13.883 36.997 9.334 1.00 28.36 C ATOM 778 O ASP A1054 -14.824 36.573 10.001 1.00 28.47 O ATOM 779 CB ASP A1054 -12.185 35.287 8.682 1.00 32.28 C ATOM 780 CG ASP A1054 -11.887 34.118 7.760 1.00 35.74 C ATOM 781 OD1 ASP A1054 -12.751 33.754 6.942 1.00 39.13 O ATOM 782 OD2 ASP A1054 -10.788 33.545 7.865 1.00 39.96 O ATOM 783 H ASP A1054 -11.895 36.966 6.755 1.00 0.00 H ATOM 784 N LEU A1055 -13.293 38.167 9.570 1.00 28.52 N ATOM 785 CA LEU A1055 -13.745 39.074 10.623 1.00 29.12 C ATOM 786 C LEU A1055 -15.139 39.642 10.333 1.00 29.02 C ATOM 787 O LEU A1055 -15.985 39.718 11.228 1.00 29.17 O ATOM 788 CB LEU A1055 -12.740 40.212 10.801 1.00 31.27 C ATOM 789 CG LEU A1055 -12.942 41.184 11.962 1.00 33.67 C ATOM 790 CD1 LEU A1055 -12.985 40.463 13.303 1.00 35.17 C ATOM 791 CD2 LEU A1055 -11.829 42.220 11.934 1.00 33.99 C ATOM 792 H LEU A1055 -12.481 38.446 8.983 1.00 0.00 H ATOM 793 N ILE A1056 -15.372 40.045 9.088 1.00 27.45 N ATOM 794 CA ILE A1056 -16.698 40.496 8.664 1.00 27.11 C ATOM 795 C ILE A1056 -17.717 39.405 8.983 1.00 26.49 C ATOM 796 O ILE A1056 -18.783 39.681 9.543 1.00 27.10 O ATOM 797 CB ILE A1056 -16.743 40.842 7.159 1.00 26.64 C ATOM 798 CG1 ILE A1056 -15.908 42.092 6.865 1.00 26.72 C ATOM 799 CG2 ILE A1056 -18.182 41.059 6.699 1.00 26.20 C ATOM 800 CD1 ILE A1056 -15.775 42.407 5.386 1.00 26.84 C ATOM 801 H ILE A1056 -14.593 40.040 8.399 1.00 0.00 H ATOM 802 N CYS A1057 -17.374 38.163 8.658 1.00 26.58 N ATOM 803 CA CYS A1057 -18.259 37.037 8.933 1.00 27.76 C ATOM 804 C CYS A1057 -18.434 36.774 10.433 1.00 28.76 C ATOM 805 O CYS A1057 -19.565 36.686 10.924 1.00 27.48 O ATOM 806 CB CYS A1057 -17.756 35.779 8.229 1.00 28.96 C ATOM 807 SG CYS A1057 -18.819 34.340 8.452 1.00 32.84 S ATOM 808 H CYS A1057 -16.457 37.991 8.199 1.00 0.00 H ATOM 809 N SER A1058 -17.326 36.660 11.163 1.00 28.65 N ATOM 810 CA SER A1058 -17.397 36.354 12.595 1.00 30.03 C ATOM 811 C SER A1058 -18.131 37.442 13.383 1.00 29.44 C ATOM 812 O SER A1058 -18.867 37.132 14.315 1.00 29.44 O ATOM 813 CB SER A1058 -15.998 36.115 13.180 1.00 31.65 C ATOM 814 OG SER A1058 -15.177 37.258 13.032 1.00 34.49 O ATOM 815 HG SER A1058 -14.284 37.074 13.418 1.00 0.00 H ATOM 816 H SER A1058 -16.398 36.790 10.711 1.00 0.00 H ATOM 817 N ASN A1059 -17.943 38.706 13.003 1.00 28.32 N ATOM 818 CA ASN A1059 -18.672 39.810 13.630 1.00 29.13 C ATOM 819 C ASN A1059 -20.182 39.640 13.456 1.00 29.10 C ATOM 820 O ASN A1059 -20.949 39.872 14.390 1.00 28.40 O ATOM 821 CB ASN A1059 -18.243 41.167 13.052 1.00 29.08 C ATOM 822 CG ASN A1059 -16.890 41.635 13.566 1.00 30.82 C ATOM 823 OD1 ASN A1059 -16.355 41.105 14.545 1.00 30.82 O ATOM 824 ND2 ASN A1059 -16.339 42.651 12.915 1.00 29.79 N ATOM 825 HD22 ASN A1059 -16.824 43.068 12.095 1.00 0.00 H ATOM 826 HD21 ASN A1059 -15.422 43.031 13.225 1.00 0.00 H ATOM 827 H ASN A1059 -17.263 38.913 12.244 1.00 0.00 H ATOM 828 N ALA A1060 -20.595 39.236 12.256 1.00 28.84 N ATOM 829 CA ALA A1060 -22.016 39.035 11.957 1.00 29.03 C ATOM 830 C ALA A1060 -22.603 37.886 12.780 1.00 30.73 C ATOM 831 O ALA A1060 -23.718 37.997 13.292 1.00 31.42 O ATOM 832 CB ALA A1060 -22.216 38.793 10.468 1.00 28.47 C ATOM 833 H ALA A1060 -19.891 39.058 11.511 1.00 0.00 H ATOM 834 N LEU A1061 -21.854 36.793 12.924 1.00 31.38 N ATOM 835 CA LEU A1061 -22.326 35.653 13.717 1.00 33.62 C ATOM 836 C LEU A1061 -22.390 36.003 15.206 1.00 36.07 C ATOM 837 O LEU A1061 -23.269 35.525 15.924 1.00 36.33 O ATOM 838 CB LEU A1061 -21.445 34.415 13.505 1.00 34.96 C ATOM 839 CG LEU A1061 -21.229 33.891 12.077 1.00 36.30 C ATOM 840 CD1 LEU A1061 -20.587 32.509 12.110 1.00 39.06 C ATOM 841 CD2 LEU A1061 -22.517 33.855 11.271 1.00 35.47 C ATOM 842 H LEU A1061 -20.921 36.748 12.467 1.00 0.00 H ATOM 843 N GLU A1062 -21.464 36.845 15.661 1.00 36.31 N ATOM 844 CA GLU A1062 -21.406 37.249 17.066 1.00 39.31 C ATOM 845 C GLU A1062 -22.529 38.214 17.430 1.00 37.58 C ATOM 846 O GLU A1062 -23.196 38.038 18.451 1.00 37.27 O ATOM 847 CB GLU A1062 -20.054 37.898 17.374 1.00 42.60 C ATOM 848 CG GLU A1062 -19.830 38.220 18.846 1.00 46.85 C ATOM 849 CD GLU A1062 -18.568 39.031 19.086 1.00 51.18 C ATOM 850 OE1 GLU A1062 -17.662 39.013 18.223 1.00 53.22 O ATOM 851 OE2 GLU A1062 -18.482 39.690 20.144 1.00 55.97 O ATOM 852 H GLU A1062 -20.760 37.227 14.997 1.00 0.00 H ATOM 853 N TYR A1063 -22.729 39.236 16.602 1.00 34.91 N ATOM 854 CA TYR A1063 -23.699 40.279 16.908 1.00 34.81 C ATOM 855 C TYR A1063 -25.146 39.842 16.660 1.00 34.94 C ATOM 856 O TYR A1063 -26.059 40.355 17.310 1.00 35.30 O ATOM 857 CB TYR A1063 -23.402 41.562 16.124 1.00 35.49 C ATOM 858 CG TYR A1063 -24.303 42.693 16.548 1.00 35.99 C ATOM 859 CD1 TYR A1063 -24.070 43.385 17.732 1.00 37.12 C ATOM 860 CD2 TYR A1063 -25.420 43.040 15.792 1.00 36.50 C ATOM 861 CE1 TYR A1063 -24.912 44.407 18.142 1.00 38.89 C ATOM 862 CE2 TYR A1063 -26.265 44.059 16.191 1.00 37.37 C ATOM 863 CZ TYR A1063 -26.009 44.737 17.365 1.00 39.29 C ATOM 864 OH TYR A1063 -26.849 45.747 17.760 1.00 41.87 O ATOM 865 HH TYR A1063 -26.527 46.127 18.616 1.00 0.00 H ATOM 866 H TYR A1063 -22.182 39.291 15.719 1.00 0.00 H ATOM 867 N ASN A1064 -25.350 38.893 15.745 1.00 32.62 N ATOM 868 CA ASN A1064 -26.697 38.424 15.387 1.00 33.00 C ATOM 869 C ASN A1064 -26.865 36.921 15.617 1.00 34.27 C ATOM 870 O ASN A1064 -27.008 36.163 14.661 1.00 34.92 O ATOM 871 CB ASN A1064 -26.997 38.747 13.919 1.00 32.08 C ATOM 872 CG ASN A1064 -26.584 40.148 13.531 1.00 31.50 C ATOM 873 OD1 ASN A1064 -27.345 41.103 13.688 1.00 31.44 O ATOM 874 ND2 ASN A1064 -25.373 40.277 13.003 1.00 31.27 N ATOM 875 HD22 ASN A1064 -24.764 39.442 12.889 1.00 0.00 H ATOM 876 HD21 ASN A1064 -25.033 41.213 12.703 1.00 0.00 H ATOM 877 H ASN A1064 -24.528 38.470 15.268 1.00 0.00 H ATOM 878 N PRO A1065 -26.880 36.482 16.889 1.00 36.85 N ATOM 879 CA PRO A1065 -26.854 35.050 17.171 1.00 38.53 C ATOM 880 C PRO A1065 -28.231 34.386 17.310 1.00 41.52 C ATOM 881 O PRO A1065 -28.299 33.172 17.497 1.00 42.55 O ATOM 882 CB PRO A1065 -26.122 35.000 18.512 1.00 40.07 C ATOM 883 CG PRO A1065 -26.555 36.254 19.203 1.00 40.30 C ATOM 884 CD PRO A1065 -26.889 37.269 18.136 1.00 38.19 C ATOM 885 N ASP A1066 -29.308 35.163 17.208 1.00 42.29 N ATOM 886 CA ASP A1066 -30.642 34.675 17.577 1.00 44.52 C ATOM 887 C ASP A1066 -31.269 33.791 16.510 1.00 42.82 C ATOM 888 O ASP A1066 -30.803 33.734 15.371 1.00 39.78 O ATOM 889 CB ASP A1066 -31.588 35.845 17.865 1.00 48.21 C ATOM 890 CG ASP A1066 -31.084 36.758 18.971 1.00 52.48 C ATOM 891 OD1 ASP A1066 -30.045 36.443 19.590 1.00 55.60 O ATOM 892 OD2 ASP A1066 -31.734 37.797 19.220 1.00 56.54 O ATOM 893 H ASP A1066 -29.201 36.137 16.859 1.00 0.00 H ATOM 894 N ARG A1067 -32.345 33.112 16.896 1.00 42.78 N ATOM 895 CA ARG A1067 -33.093 32.258 15.977 1.00 43.08 C ATOM 896 C ARG A1067 -34.015 33.046 15.044 1.00 40.90 C ATOM 897 O ARG A1067 -34.549 32.477 14.091 1.00 39.96 O ATOM 898 CB ARG A1067 -33.932 31.247 16.757 1.00 45.78 C ATOM 899 CG ARG A1067 -35.047 31.880 17.581 1.00 46.82 C ATOM 900 CD ARG A1067 -36.339 31.099 17.478 1.00 48.28 C ATOM 901 NE ARG A1067 -36.780 30.894 16.096 1.00 48.14 N ATOM 902 CZ ARG A1067 -37.582 31.714 15.411 1.00 50.21 C ATOM 903 NH1 ARG A1067 -38.056 32.840 15.950 1.00 50.26 N ATOM 904 NH2 ARG A1067 -37.914 31.408 14.163 1.00 48.00 N ATOM 905 HE ARG A1067 -36.441 30.040 15.608 1.00 0.00 H ATOM 906 HH12 ARG A1067 -38.679 33.461 15.394 1.00 0.00 H ATOM 907 HH11 ARG A1067 -37.802 33.096 16.925 1.00 0.00 H ATOM 908 HH22 ARG A1067 -38.538 32.040 13.621 1.00 0.00 H ATOM 909 HH21 ARG A1067 -37.550 30.537 13.727 1.00 0.00 H ATOM 910 H ARG A1067 -32.664 33.191 17.883 1.00 0.00 H ATOM 911 N ASP A1068 -34.223 34.335 15.324 1.00 40.11 N ATOM 912 CA ASP A1068 -35.165 35.140 14.541 1.00 40.61 C ATOM 913 C ASP A1068 -34.710 35.252 13.083 1.00 37.11 C ATOM 914 O ASP A1068 -33.506 35.217 12.808 1.00 35.35 O ATOM 915 CB ASP A1068 -35.391 36.530 15.169 1.00 44.26 C ATOM 916 CG ASP A1068 -34.169 37.441 15.083 1.00 47.90 C ATOM 917 OD1 ASP A1068 -33.878 37.984 13.994 1.00 48.30 O ATOM 918 OD2 ASP A1068 -33.518 37.653 16.126 1.00 53.96 O ATOM 919 H ASP A1068 -33.707 34.776 16.112 1.00 0.00 H ATOM 920 N PRO A1069 -35.670 35.375 12.148 1.00 34.60 N ATOM 921 CA PRO A1069 -35.339 35.377 10.722 1.00 33.19 C ATOM 922 C PRO A1069 -34.349 36.456 10.304 1.00 30.04 C ATOM 923 O PRO A1069 -33.517 36.207 9.444 1.00 28.67 O ATOM 924 CB PRO A1069 -36.693 35.607 10.040 1.00 34.28 C ATOM 925 CG PRO A1069 -37.699 35.155 11.028 1.00 35.25 C ATOM 926 CD PRO A1069 -37.127 35.454 12.373 1.00 35.96 C ATOM 927 N GLY A1070 -34.444 37.640 10.906 1.00 30.53 N ATOM 928 CA GLY A1070 -33.498 38.721 10.633 1.00 30.17 C ATOM 929 C GLY A1070 -32.065 38.288 10.901 1.00 29.52 C ATOM 930 O GLY A1070 -31.193 38.411 10.034 1.00 28.08 O ATOM 931 H GLY A1070 -35.212 37.800 11.589 1.00 0.00 H ATOM 932 N ASP A1071 -31.835 37.761 12.102 1.00 30.42 N ATOM 933 CA ASP A1071 -30.522 37.248 12.486 1.00 31.42 C ATOM 934 C ASP A1071 -30.092 36.093 11.591 1.00 30.01 C ATOM 935 O ASP A1071 -28.945 36.047 11.156 1.00 30.07 O ATOM 936 CB ASP A1071 -30.511 36.810 13.960 1.00 34.07 C ATOM 937 CG ASP A1071 -30.378 37.987 14.920 1.00 36.30 C ATOM 938 OD1 ASP A1071 -30.762 39.117 14.547 1.00 38.36 O ATOM 939 OD2 ASP A1071 -29.870 37.784 16.045 1.00 38.32 O ATOM 940 H ASP A1071 -32.615 37.713 12.788 1.00 0.00 H ATOM 941 N ARG A1072 -31.008 35.175 11.293 1.00 29.77 N ATOM 942 CA ARG A1072 -30.666 34.027 10.451 1.00 30.19 C ATOM 943 C ARG A1072 -30.298 34.434 9.020 1.00 28.13 C ATOM 944 O ARG A1072 -29.419 33.825 8.410 1.00 26.53 O ATOM 945 CB ARG A1072 -31.783 32.979 10.466 1.00 33.81 C ATOM 946 CG ARG A1072 -31.731 32.126 11.721 1.00 36.78 C ATOM 947 CD ARG A1072 -32.845 31.103 11.804 1.00 41.15 C ATOM 948 NE ARG A1072 -32.689 30.253 12.986 1.00 43.83 N ATOM 949 CZ ARG A1072 -33.637 29.464 13.496 1.00 48.19 C ATOM 950 NH1 ARG A1072 -34.849 29.400 12.948 1.00 48.53 N ATOM 951 NH2 ARG A1072 -33.371 28.735 14.577 1.00 49.71 N ATOM 952 HE ARG A1072 -31.767 30.265 13.466 1.00 0.00 H ATOM 953 HH12 ARG A1072 -35.574 28.779 13.360 1.00 0.00 H ATOM 954 HH11 ARG A1072 -35.070 29.971 12.108 1.00 0.00 H ATOM 955 HH22 ARG A1072 -34.104 28.117 14.981 1.00 0.00 H ATOM 956 HH21 ARG A1072 -32.430 28.783 15.018 1.00 0.00 H ATOM 957 H ARG A1072 -31.976 35.274 11.661 1.00 0.00 H ATOM 958 N LEU A1073 -30.958 35.469 8.503 1.00 27.03 N ATOM 959 CA LEU A1073 -30.671 35.979 7.164 1.00 25.92 C ATOM 960 C LEU A1073 -29.260 36.555 7.088 1.00 25.00 C ATOM 961 O LEU A1073 -28.479 36.184 6.205 1.00 23.83 O ATOM 962 CB LEU A1073 -31.697 37.050 6.765 1.00 26.10 C ATOM 963 CG LEU A1073 -31.489 37.765 5.422 1.00 25.70 C ATOM 964 CD1 LEU A1073 -31.441 36.786 4.257 1.00 25.81 C ATOM 965 CD2 LEU A1073 -32.581 38.802 5.208 1.00 25.97 C ATOM 966 H LEU A1073 -31.700 35.928 9.069 1.00 0.00 H ATOM 967 N ILE A1074 -28.933 37.457 8.008 1.00 25.43 N ATOM 968 CA ILE A1074 -27.612 38.087 7.993 1.00 25.88 C ATOM 969 C ILE A1074 -26.505 37.057 8.240 1.00 26.54 C ATOM 970 O ILE A1074 -25.455 37.133 7.606 1.00 25.37 O ATOM 971 CB ILE A1074 -27.502 39.295 8.960 1.00 26.76 C ATOM 972 CG1 ILE A1074 -26.206 40.070 8.689 1.00 27.58 C ATOM 973 CG2 ILE A1074 -27.580 38.858 10.418 1.00 27.47 C ATOM 974 CD1 ILE A1074 -26.099 41.385 9.436 1.00 27.57 C ATOM 975 H ILE A1074 -29.621 37.717 8.744 1.00 0.00 H ATOM 976 N ARG A1075 -26.738 36.087 9.128 1.00 26.58 N ATOM 977 CA ARG A1075 -25.757 35.009 9.344 1.00 27.89 C ATOM 978 C ARG A1075 -25.508 34.191 8.073 1.00 27.19 C ATOM 979 O ARG A1075 -24.363 33.842 7.769 1.00 26.04 O ATOM 980 CB ARG A1075 -26.178 34.076 10.488 1.00 29.87 C ATOM 981 CG ARG A1075 -26.049 34.684 11.878 1.00 32.01 C ATOM 982 CD ARG A1075 -25.819 33.617 12.942 1.00 35.41 C ATOM 983 NE ARG A1075 -26.844 32.573 12.951 1.00 36.87 N ATOM 984 CZ ARG A1075 -28.055 32.694 13.490 1.00 38.87 C ATOM 985 NH1 ARG A1075 -28.433 33.830 14.065 1.00 39.64 N ATOM 986 NH2 ARG A1075 -28.902 31.671 13.445 1.00 41.27 N ATOM 987 HE ARG A1075 -26.608 31.666 12.501 1.00 0.00 H ATOM 988 HH12 ARG A1075 -29.382 33.911 14.482 1.00 0.00 H ATOM 989 HH11 ARG A1075 -27.780 34.639 14.098 1.00 0.00 H ATOM 990 HH22 ARG A1075 -29.849 31.761 13.865 1.00 0.00 H ATOM 991 HH21 ARG A1075 -28.618 30.780 12.990 1.00 0.00 H ATOM 992 H ARG A1075 -27.623 36.093 9.674 1.00 0.00 H ATOM 993 N HIS A1076 -26.577 33.885 7.337 1.00 26.21 N ATOM 994 CA HIS A1076 -26.455 33.168 6.070 1.00 26.50 C ATOM 995 C HIS A1076 -25.684 33.976 5.052 1.00 25.70 C ATOM 996 O HIS A1076 -24.830 33.441 4.331 1.00 25.51 O ATOM 997 CB HIS A1076 -27.830 32.813 5.515 1.00 27.34 C ATOM 998 CG HIS A1076 -27.784 31.884 4.328 1.00 28.72 C ATOM 999 ND1 HIS A1076 -27.745 32.331 3.057 1.00 29.02 N ATOM 1000 CD2 HIS A1076 -27.757 30.492 4.259 1.00 30.29 C ATOM 1001 CE1 HIS A1076 -27.703 31.276 2.215 1.00 30.46 C ATOM 1002 NE2 HIS A1076 -27.712 30.153 2.953 1.00 30.35 N ATOM 1003 H HIS A1076 -27.521 34.164 7.673 1.00 0.00 H ATOM 1004 N ARG A1077 -25.981 35.271 4.985 1.00 24.31 N ATOM 1005 CA ARG A1077 -25.264 36.182 4.092 1.00 24.11 C ATOM 1006 C ARG A1077 -23.786 36.287 4.453 1.00 24.40 C ATOM 1007 O ARG A1077 -22.928 36.332 3.568 1.00 23.79 O ATOM 1008 CB ARG A1077 -25.897 37.569 4.139 1.00 24.64 C ATOM 1009 CG ARG A1077 -27.236 37.630 3.434 1.00 25.21 C ATOM 1010 CD ARG A1077 -27.942 38.941 3.696 1.00 25.42 C ATOM 1011 NE ARG A1077 -29.055 39.119 2.774 1.00 26.68 N ATOM 1012 CZ ARG A1077 -29.910 40.138 2.796 1.00 27.53 C ATOM 1013 NH1 ARG A1077 -29.791 41.104 3.697 1.00 28.23 N ATOM 1014 NH2 ARG A1077 -30.891 40.187 1.901 1.00 28.88 N ATOM 1015 HE ARG A1077 -29.192 38.393 2.042 1.00 0.00 H ATOM 1016 HH12 ARG A1077 -30.466 41.895 3.703 1.00 0.00 H ATOM 1017 HH11 ARG A1077 -29.023 41.070 4.397 1.00 0.00 H ATOM 1018 HH22 ARG A1077 -31.564 40.980 1.910 1.00 0.00 H ATOM 1019 HH21 ARG A1077 -30.986 39.433 1.191 1.00 0.00 H ATOM 1020 H ARG A1077 -26.744 35.646 5.584 1.00 0.00 H ATOM 1021 N ALA A1078 -23.508 36.330 5.752 1.00 24.55 N ATOM 1022 CA ALA A1078 -22.134 36.407 6.254 1.00 25.81 C ATOM 1023 C ALA A1078 -21.320 35.176 5.855 1.00 26.06 C ATOM 1024 O ALA A1078 -20.183 35.300 5.383 1.00 25.88 O ATOM 1025 CB ALA A1078 -22.142 36.578 7.765 1.00 26.48 C ATOM 1026 H ALA A1078 -24.292 36.308 6.435 1.00 0.00 H ATOM 1027 N CYS A1079 -21.904 33.994 6.035 1.00 26.56 N ATOM 1028 CA CYS A1079 -21.264 32.754 5.607 1.00 27.88 C ATOM 1029 C CYS A1079 -21.123 32.688 4.085 1.00 26.11 C ATOM 1030 O CYS A1079 -20.124 32.191 3.579 1.00 24.69 O ATOM 1031 CB CYS A1079 -22.034 31.541 6.131 1.00 32.07 C ATOM 1032 SG CYS A1079 -21.926 31.384 7.929 1.00 39.51 S ATOM 1033 H CYS A1079 -22.838 33.953 6.491 1.00 0.00 H ATOM 1034 N ALA A1080 -22.125 33.186 3.365 1.00 24.29 N ATOM 1035 CA ALA A1080 -22.061 33.256 1.908 1.00 24.85 C ATOM 1036 C ALA A1080 -20.923 34.176 1.451 1.00 24.52 C ATOM 1037 O ALA A1080 -20.194 33.846 0.515 1.00 25.25 O ATOM 1038 CB ALA A1080 -23.397 33.722 1.334 1.00 23.83 C ATOM 1039 H ALA A1080 -22.975 33.534 3.852 1.00 0.00 H ATOM 1040 N LEU A1081 -20.769 35.318 2.117 1.00 24.45 N ATOM 1041 CA LEU A1081 -19.680 36.253 1.803 1.00 24.64 C ATOM 1042 C LEU A1081 -18.331 35.562 1.955 1.00 24.73 C ATOM 1043 O LEU A1081 -17.470 35.640 1.066 1.00 23.84 O ATOM 1044 CB LEU A1081 -19.734 37.480 2.719 1.00 24.93 C ATOM 1045 CG LEU A1081 -18.585 38.482 2.571 1.00 26.37 C ATOM 1046 CD1 LEU A1081 -18.728 39.234 1.259 1.00 26.55 C ATOM 1047 CD2 LEU A1081 -18.538 39.441 3.752 1.00 28.29 C ATOM 1048 H LEU A1081 -21.436 35.554 2.879 1.00 0.00 H ATOM 1049 N ARG A1082 -18.163 34.891 3.089 1.00 25.88 N ATOM 1050 CA ARG A1082 -16.937 34.152 3.402 1.00 26.97 C ATOM 1051 C ARG A1082 -16.673 33.070 2.362 1.00 26.65 C ATOM 1052 O ARG A1082 -15.589 32.998 1.774 1.00 24.97 O ATOM 1053 CB ARG A1082 -17.060 33.518 4.793 1.00 28.94 C ATOM 1054 CG ARG A1082 -15.927 32.584 5.197 1.00 30.51 C ATOM 1055 CD ARG A1082 -16.361 31.708 6.360 1.00 33.06 C ATOM 1056 NE ARG A1082 -17.372 30.731 5.964 1.00 34.33 N ATOM 1057 CZ ARG A1082 -18.280 30.219 6.788 1.00 35.71 C ATOM 1058 NH1 ARG A1082 -18.320 30.603 8.056 1.00 36.60 N ATOM 1059 NH2 ARG A1082 -19.157 29.331 6.342 1.00 37.36 N ATOM 1060 HE ARG A1082 -17.382 30.416 4.973 1.00 0.00 H ATOM 1061 HH12 ARG A1082 -19.032 30.201 8.699 1.00 0.00 H ATOM 1062 HH11 ARG A1082 -17.640 31.307 8.408 1.00 0.00 H ATOM 1063 HH22 ARG A1082 -19.867 28.931 6.988 1.00 0.00 H ATOM 1064 HH21 ARG A1082 -19.135 29.034 5.346 1.00 0.00 H ATOM 1065 H ARG A1082 -18.936 34.890 3.785 1.00 0.00 H ATOM 1066 N ASP A1083 -17.672 32.220 2.142 1.00 26.76 N ATOM 1067 CA ASP A1083 -17.546 31.132 1.171 1.00 27.45 C ATOM 1068 C ASP A1083 -17.240 31.642 -0.238 1.00 25.46 C ATOM 1069 O ASP A1083 -16.428 31.051 -0.951 1.00 25.28 O ATOM 1070 CB ASP A1083 -18.817 30.282 1.144 1.00 29.79 C ATOM 1071 CG ASP A1083 -19.007 29.468 2.412 1.00 32.99 C ATOM 1072 OD1 ASP A1083 -18.082 29.413 3.255 1.00 35.94 O ATOM 1073 OD2 ASP A1083 -20.099 28.888 2.570 1.00 34.32 O ATOM 1074 H ASP A1083 -18.561 32.331 2.671 1.00 0.00 H ATOM 1075 N THR A1084 -17.885 32.737 -0.632 1.00 23.73 N ATOM 1076 CA THR A1084 -17.672 33.314 -1.957 1.00 23.67 C ATOM 1077 C THR A1084 -16.253 33.841 -2.132 1.00 23.32 C ATOM 1078 O THR A1084 -15.629 33.603 -3.164 1.00 23.89 O ATOM 1079 CB THR A1084 -18.690 34.430 -2.260 1.00 24.20 C ATOM 1080 OG1 THR A1084 -20.005 33.866 -2.253 1.00 25.00 O ATOM 1081 CG2 THR A1084 -18.430 35.051 -3.633 1.00 25.11 C ATOM 1082 HG1 THR A1084 -20.190 33.474 -1.363 1.00 0.00 H ATOM 1083 H THR A1084 -18.556 33.193 0.018 1.00 0.00 H ATOM 1084 N ALA A1085 -15.752 34.551 -1.127 1.00 22.79 N ATOM 1085 CA ALA A1085 -14.389 35.073 -1.158 1.00 22.69 C ATOM 1086 C ALA A1085 -13.380 33.935 -1.292 1.00 23.14 C ATOM 1087 O ALA A1085 -12.491 33.978 -2.150 1.00 22.19 O ATOM 1088 CB ALA A1085 -14.109 35.892 0.092 1.00 22.74 C ATOM 1089 H ALA A1085 -16.347 34.740 -0.295 1.00 0.00 H ATOM 1090 N TYR A1086 -13.531 32.912 -0.455 1.00 23.78 N ATOM 1091 CA TYR A1086 -12.640 31.750 -0.501 1.00 25.21 C ATOM 1092 C TYR A1086 -12.701 31.007 -1.839 1.00 25.04 C ATOM 1093 O TYR A1086 -11.674 30.545 -2.332 1.00 25.70 O ATOM 1094 CB TYR A1086 -12.930 30.792 0.663 1.00 27.07 C ATOM 1095 CG TYR A1086 -12.223 31.166 1.948 1.00 28.85 C ATOM 1096 CD1 TYR A1086 -12.762 32.113 2.815 1.00 29.57 C ATOM 1097 CD2 TYR A1086 -11.011 30.574 2.299 1.00 31.85 C ATOM 1098 CE1 TYR A1086 -12.122 32.461 3.993 1.00 30.61 C ATOM 1099 CE2 TYR A1086 -10.360 30.916 3.479 1.00 32.50 C ATOM 1100 CZ TYR A1086 -10.924 31.858 4.325 1.00 32.67 C ATOM 1101 OH TYR A1086 -10.288 32.202 5.498 1.00 33.60 O ATOM 1102 HH TYR A1086 -10.825 32.882 5.976 1.00 0.00 H ATOM 1103 H TYR A1086 -14.298 32.938 0.247 1.00 0.00 H ATOM 1104 N ALA A1087 -13.890 30.905 -2.426 1.00 23.98 N ATOM 1105 CA ALA A1087 -14.065 30.201 -3.698 1.00 24.84 C ATOM 1106 C ALA A1087 -13.431 30.965 -4.865 1.00 25.02 C ATOM 1107 O ALA A1087 -12.828 30.363 -5.763 1.00 25.20 O ATOM 1108 CB ALA A1087 -15.542 29.952 -3.966 1.00 25.52 C ATOM 1109 H ALA A1087 -14.718 31.337 -1.969 1.00 0.00 H ATOM 1110 N ILE A1088 -13.570 32.287 -4.854 1.00 24.30 N ATOM 1111 CA ILE A1088 -12.929 33.121 -5.872 1.00 24.35 C ATOM 1112 C ILE A1088 -11.418 32.967 -5.788 1.00 24.97 C ATOM 1113 O ILE A1088 -10.746 32.743 -6.797 1.00 25.51 O ATOM 1114 CB ILE A1088 -13.301 34.603 -5.713 1.00 23.85 C ATOM 1115 CG1 ILE A1088 -14.757 34.829 -6.127 1.00 24.60 C ATOM 1116 CG2 ILE A1088 -12.379 35.478 -6.558 1.00 23.65 C ATOM 1117 CD1 ILE A1088 -15.293 36.190 -5.740 1.00 23.93 C ATOM 1118 H ILE A1088 -14.143 32.736 -4.111 1.00 0.00 H ATOM 1119 N ILE A1089 -10.895 33.066 -4.572 1.00 25.42 N ATOM 1120 CA ILE A1089 -9.462 32.928 -4.339 1.00 26.48 C ATOM 1121 C ILE A1089 -8.962 31.530 -4.730 1.00 27.71 C ATOM 1122 O ILE A1089 -7.912 31.405 -5.347 1.00 27.10 O ATOM 1123 CB ILE A1089 -9.101 33.293 -2.879 1.00 27.12 C ATOM 1124 CG1 ILE A1089 -9.139 34.815 -2.707 1.00 26.65 C ATOM 1125 CG2 ILE A1089 -7.729 32.756 -2.493 1.00 27.91 C ATOM 1126 CD1 ILE A1089 -9.310 35.265 -1.270 1.00 25.94 C ATOM 1127 H ILE A1089 -11.524 33.247 -3.764 1.00 0.00 H ATOM 1128 N LYS A1090 -9.714 30.489 -4.390 1.00 28.65 N ATOM 1129 CA LYS A1090 -9.325 29.123 -4.757 1.00 31.86 C ATOM 1130 C LYS A1090 -9.188 28.962 -6.274 1.00 32.46 C ATOM 1131 O LYS A1090 -8.271 28.292 -6.748 1.00 32.56 O ATOM 1132 CB LYS A1090 -10.327 28.105 -4.209 1.00 35.67 C ATOM 1133 CG LYS A1090 -9.887 26.656 -4.367 1.00 40.02 C ATOM 1134 CD LYS A1090 -10.677 25.733 -3.450 1.00 43.55 C ATOM 1135 CE LYS A1090 -10.059 24.342 -3.381 1.00 47.93 C ATOM 1136 NZ LYS A1090 -10.248 23.586 -4.649 1.00 51.25 N ATOM 1137 HZ1 LYS A1090 -11.265 23.482 -4.841 1.00 0.00 H ATOM 1138 HZ2 LYS A1090 -9.798 24.104 -5.430 1.00 0.00 H ATOM 1139 HZ3 LYS A1090 -9.813 22.646 -4.559 1.00 0.00 H ATOM 1140 H LYS A1090 -10.592 30.645 -3.855 1.00 0.00 H ATOM 1141 N GLU A1091 -10.088 29.588 -7.027 1.00 31.39 N ATOM 1142 CA GLU A1091 -10.080 29.486 -8.485 1.00 34.40 C ATOM 1143 C GLU A1091 -9.068 30.400 -9.171 1.00 32.72 C ATOM 1144 O GLU A1091 -8.542 30.042 -10.224 1.00 33.81 O ATOM 1145 CB GLU A1091 -11.474 29.763 -9.062 1.00 38.60 C ATOM 1146 CG GLU A1091 -12.372 28.539 -9.105 1.00 45.35 C ATOM 1147 CD GLU A1091 -13.717 28.807 -9.759 1.00 51.94 C ATOM 1148 OE1 GLU A1091 -14.247 29.933 -9.616 1.00 54.48 O ATOM 1149 OE2 GLU A1091 -14.250 27.879 -10.410 1.00 56.59 O ATOM 1150 H GLU A1091 -10.818 30.167 -6.565 1.00 0.00 H ATOM 1151 N GLU A1092 -8.796 31.567 -8.587 1.00 29.01 N ATOM 1152 CA GLU A1092 -8.102 32.636 -9.316 1.00 28.51 C ATOM 1153 C GLU A1092 -6.766 33.106 -8.727 1.00 28.04 C ATOM 1154 O GLU A1092 -6.029 33.823 -9.395 1.00 28.92 O ATOM 1155 CB GLU A1092 -9.038 33.832 -9.481 1.00 28.28 C ATOM 1156 CG GLU A1092 -10.356 33.477 -10.155 1.00 28.57 C ATOM 1157 CD GLU A1092 -11.340 34.631 -10.185 1.00 29.55 C ATOM 1158 OE1 GLU A1092 -10.903 35.800 -10.159 1.00 28.25 O ATOM 1159 OE2 GLU A1092 -12.563 34.369 -10.249 1.00 29.71 O ATOM 1160 H GLU A1092 -9.080 31.723 -7.599 1.00 0.00 H ATOM 1161 N LEU A1093 -6.460 32.723 -7.492 1.00 27.58 N ATOM 1162 CA LEU A1093 -5.161 33.029 -6.900 1.00 27.55 C ATOM 1163 C LEU A1093 -4.168 31.926 -7.244 1.00 29.02 C ATOM 1164 O LEU A1093 -4.386 30.764 -6.912 1.00 29.09 O ATOM 1165 CB LEU A1093 -5.272 33.153 -5.378 1.00 28.33 C ATOM 1166 CG LEU A1093 -3.960 33.361 -4.605 1.00 29.19 C ATOM 1167 CD1 LEU A1093 -3.269 34.642 -5.043 1.00 28.73 C ATOM 1168 CD2 LEU A1093 -4.222 33.365 -3.109 1.00 30.31 C ATOM 1169 H LEU A1093 -7.161 32.194 -6.935 1.00 0.00 H ATOM 1170 N ASP A1094 -3.072 32.288 -7.897 1.00 29.87 N ATOM 1171 CA ASP A1094 -2.003 31.328 -8.141 1.00 30.90 C ATOM 1172 C ASP A1094 -1.266 31.062 -6.827 1.00 29.03 C ATOM 1173 O ASP A1094 -0.826 31.998 -6.160 1.00 27.18 O ATOM 1174 CB ASP A1094 -1.047 31.850 -9.210 1.00 33.93 C ATOM 1175 CG ASP A1094 -0.047 30.806 -9.644 1.00 37.41 C ATOM 1176 OD1 ASP A1094 0.811 30.428 -8.821 1.00 41.71 O ATOM 1177 OD2 ASP A1094 -0.120 30.361 -10.803 1.00 37.91 O ATOM 1178 H ASP A1094 -2.974 33.266 -8.238 1.00 0.00 H ATOM 1179 N GLU A1095 -1.146 29.789 -6.455 1.00 30.29 N ATOM 1180 CA GLU A1095 -0.503 29.404 -5.188 1.00 32.88 C ATOM 1181 C GLU A1095 0.946 29.882 -5.089 1.00 30.48 C ATOM 1182 O GLU A1095 1.416 30.214 -3.999 1.00 29.40 O ATOM 1183 CB GLU A1095 -0.538 27.887 -4.991 1.00 38.60 C ATOM 1184 CG GLU A1095 -1.919 27.330 -4.685 1.00 43.09 C ATOM 1185 CD GLU A1095 -1.946 25.810 -4.641 1.00 50.24 C ATOM 1186 OE1 GLU A1095 -0.860 25.184 -4.626 1.00 54.14 O ATOM 1187 OE2 GLU A1095 -3.059 25.238 -4.621 1.00 54.34 O ATOM 1188 H GLU A1095 -1.518 29.044 -7.078 1.00 0.00 H ATOM 1189 N ASP A1096 1.646 29.907 -6.219 1.00 29.36 N ATOM 1190 CA ASP A1096 3.037 30.379 -6.250 1.00 30.29 C ATOM 1191 C ASP A1096 3.133 31.886 -6.068 1.00 28.14 C ATOM 1192 O ASP A1096 4.136 32.392 -5.556 1.00 27.24 O ATOM 1193 CB ASP A1096 3.724 29.972 -7.553 1.00 31.36 C ATOM 1194 CG ASP A1096 3.984 28.480 -7.634 1.00 35.19 C ATOM 1195 OD1 ASP A1096 4.173 27.841 -6.579 1.00 37.97 O ATOM 1196 OD2 ASP A1096 4.005 27.945 -8.758 1.00 37.13 O ATOM 1197 H ASP A1096 1.199 29.585 -7.101 1.00 0.00 H ATOM 1198 N PHE A1097 2.097 32.604 -6.493 1.00 27.32 N ATOM 1199 CA PHE A1097 2.037 34.041 -6.268 1.00 26.95 C ATOM 1200 C PHE A1097 1.858 34.327 -4.780 1.00 26.62 C ATOM 1201 O PHE A1097 2.555 35.176 -4.223 1.00 27.47 O ATOM 1202 CB PHE A1097 0.914 34.699 -7.072 1.00 26.07 C ATOM 1203 CG PHE A1097 0.839 36.181 -6.876 1.00 25.60 C ATOM 1204 CD1 PHE A1097 1.610 37.034 -7.652 1.00 26.30 C ATOM 1205 CD2 PHE A1097 0.027 36.721 -5.889 1.00 25.50 C ATOM 1206 CE1 PHE A1097 1.557 38.404 -7.458 1.00 26.38 C ATOM 1207 CE2 PHE A1097 -0.027 38.088 -5.685 1.00 25.77 C ATOM 1208 CZ PHE A1097 0.740 38.930 -6.473 1.00 25.84 C ATOM 1209 H PHE A1097 1.318 32.131 -6.994 1.00 0.00 H ATOM 1210 N GLU A1098 0.929 33.619 -4.140 1.00 25.91 N ATOM 1211 CA GLU A1098 0.714 33.766 -2.701 1.00 26.40 C ATOM 1212 C GLU A1098 1.973 33.373 -1.926 1.00 26.58 C ATOM 1213 O GLU A1098 2.345 34.043 -0.964 1.00 25.94 O ATOM 1214 CB GLU A1098 -0.487 32.930 -2.235 1.00 27.22 C ATOM 1215 CG GLU A1098 -0.709 32.881 -0.725 1.00 28.42 C ATOM 1216 CD GLU A1098 -0.971 34.242 -0.084 1.00 29.61 C ATOM 1217 OE1 GLU A1098 -1.170 35.244 -0.803 1.00 30.27 O ATOM 1218 OE2 GLU A1098 -0.993 34.310 1.164 1.00 31.67 O ATOM 1219 H GLU A1098 0.343 32.947 -4.676 1.00 0.00 H ATOM 1220 N GLN A1099 2.626 32.295 -2.350 1.00 26.25 N ATOM 1221 CA GLN A1099 3.865 31.865 -1.704 1.00 28.55 C ATOM 1222 C GLN A1099 4.942 32.950 -1.797 1.00 27.87 C ATOM 1223 O GLN A1099 5.643 33.210 -0.821 1.00 29.11 O ATOM 1224 CB GLN A1099 4.369 30.548 -2.300 1.00 30.30 C ATOM 1225 CG GLN A1099 5.549 29.936 -1.551 1.00 32.66 C ATOM 1226 CD GLN A1099 5.233 29.601 -0.104 1.00 34.77 C ATOM 1227 OE1 GLN A1099 4.132 29.151 0.216 1.00 35.44 O ATOM 1228 NE2 GLN A1099 6.200 29.818 0.780 1.00 37.04 N ATOM 1229 HE22 GLN A1099 7.115 30.199 0.466 1.00 0.00 H ATOM 1230 HE21 GLN A1099 6.042 29.607 1.786 1.00 0.00 H ATOM 1231 H GLN A1099 2.250 31.750 -3.152 1.00 0.00 H ATOM 1232 N LEU A1100 5.052 33.597 -2.954 1.00 26.84 N ATOM 1233 CA LEU A1100 6.003 34.693 -3.125 1.00 27.50 C ATOM 1234 C LEU A1100 5.698 35.841 -2.159 1.00 26.91 C ATOM 1235 O LEU A1100 6.598 36.365 -1.508 1.00 26.54 O ATOM 1236 CB LEU A1100 5.993 35.203 -4.567 1.00 27.10 C ATOM 1237 CG LEU A1100 6.941 36.358 -4.899 1.00 27.77 C ATOM 1238 CD1 LEU A1100 8.376 36.034 -4.498 1.00 29.19 C ATOM 1239 CD2 LEU A1100 6.862 36.698 -6.377 1.00 28.12 C ATOM 1240 H LEU A1100 4.449 33.317 -3.753 1.00 0.00 H ATOM 1241 N CYS A1101 4.427 36.229 -2.081 1.00 26.57 N ATOM 1242 CA CYS A1101 3.988 37.285 -1.164 1.00 26.92 C ATOM 1243 C CYS A1101 4.367 36.969 0.281 1.00 27.91 C ATOM 1244 O CYS A1101 4.906 37.819 0.991 1.00 28.92 O ATOM 1245 CB CYS A1101 2.472 37.488 -1.277 1.00 26.30 C ATOM 1246 SG CYS A1101 1.975 38.326 -2.794 1.00 27.57 S ATOM 1247 H CYS A1101 3.722 35.768 -2.691 1.00 0.00 H ATOM 1248 N GLU A1102 4.090 35.740 0.704 1.00 29.16 N ATOM 1249 CA GLU A1102 4.382 35.301 2.064 1.00 31.87 C ATOM 1250 C GLU A1102 5.879 35.325 2.372 1.00 33.11 C ATOM 1251 O GLU A1102 6.281 35.695 3.477 1.00 33.35 O ATOM 1252 CB GLU A1102 3.803 33.903 2.317 1.00 34.21 C ATOM 1253 CG GLU A1102 2.286 33.901 2.457 1.00 36.57 C ATOM 1254 CD GLU A1102 1.690 32.519 2.671 1.00 39.90 C ATOM 1255 OE1 GLU A1102 2.450 31.562 2.919 1.00 42.61 O ATOM 1256 OE2 GLU A1102 0.446 32.387 2.585 1.00 40.97 O ATOM 1257 H GLU A1102 3.650 35.068 0.043 1.00 0.00 H ATOM 1258 N GLU A1103 6.700 34.954 1.394 1.00 33.31 N ATOM 1259 CA GLU A1103 8.149 34.938 1.593 1.00 34.36 C ATOM 1260 C GLU A1103 8.739 36.350 1.620 1.00 35.27 C ATOM 1261 O GLU A1103 9.666 36.612 2.388 1.00 37.33 O ATOM 1262 CB GLU A1103 8.834 34.028 0.562 1.00 34.24 C ATOM 1263 CG GLU A1103 8.559 32.558 0.861 1.00 34.50 C ATOM 1264 CD GLU A1103 9.154 31.576 -0.140 1.00 34.55 C ATOM 1265 OE1 GLU A1103 9.938 31.976 -1.026 1.00 33.37 O ATOM 1266 OE2 GLU A1103 8.830 30.377 -0.025 1.00 36.19 O ATOM 1267 H GLU A1103 6.306 34.671 0.474 1.00 0.00 H ATOM 1268 N ILE A1104 8.191 37.266 0.823 1.00 33.53 N ATOM 1269 CA ILE A1104 8.608 38.667 0.883 1.00 34.80 C ATOM 1270 C ILE A1104 8.224 39.255 2.243 1.00 38.72 C ATOM 1271 O ILE A1104 9.043 39.901 2.892 1.00 40.81 O ATOM 1272 CB ILE A1104 7.991 39.527 -0.242 1.00 33.55 C ATOM 1273 CG1 ILE A1104 8.459 39.056 -1.620 1.00 32.62 C ATOM 1274 CG2 ILE A1104 8.389 40.986 -0.078 1.00 34.43 C ATOM 1275 CD1 ILE A1104 7.724 39.721 -2.768 1.00 31.40 C ATOM 1276 H ILE A1104 7.454 36.980 0.147 1.00 0.00 H ATOM 1277 N GLN A1105 6.986 39.008 2.674 1.00 39.31 N ATOM 1278 CA GLN A1105 6.495 39.483 3.974 1.00 42.80 C ATOM 1279 C GLN A1105 7.359 38.977 5.131 1.00 46.22 C ATOM 1280 O GLN A1105 7.694 39.739 6.038 1.00 45.92 O ATOM 1281 CB GLN A1105 5.046 39.037 4.199 1.00 42.28 C ATOM 1282 CG GLN A1105 4.406 39.581 5.473 1.00 44.22 C ATOM 1283 CD GLN A1105 3.077 38.919 5.794 1.00 45.95 C ATOM 1284 OE1 GLN A1105 2.932 37.702 5.673 1.00 46.74 O ATOM 1285 NE2 GLN A1105 2.099 39.719 6.212 1.00 45.41 N ATOM 1286 HE22 GLN A1105 2.266 40.742 6.300 1.00 0.00 H ATOM 1287 HE21 GLN A1105 1.168 39.321 6.451 1.00 0.00 H ATOM 1288 H GLN A1105 6.345 38.459 2.067 1.00 0.00 H ATOM 1289 N GLU A1106 7.708 37.694 5.095 1.00 49.35 N ATOM 1290 CA GLU A1106 8.522 37.079 6.150 1.00 55.03 C ATOM 1291 C GLU A1106 9.960 37.607 6.180 1.00 57.24 C ATOM 1292 O GLU A1106 10.631 37.510 7.209 1.00 59.61 O ATOM 1293 CB GLU A1106 8.528 35.554 6.010 1.00 59.02 C ATOM 1294 CG GLU A1106 7.248 34.895 6.500 1.00 63.23 C ATOM 1295 CD GLU A1106 7.152 33.431 6.107 1.00 69.54 C ATOM 1296 OE1 GLU A1106 7.080 33.139 4.893 1.00 69.70 O ATOM 1297 OE2 GLU A1106 7.137 32.572 7.016 1.00 75.45 O ATOM 1298 H GLU A1106 7.394 37.109 4.295 1.00 0.00 H ATOM 1299 N SER A1107 10.425 38.157 5.059 1.00 56.91 N ATOM 1300 CA SER A1107 11.754 38.774 4.989 1.00 60.81 C ATOM 1301 C SER A1107 11.787 40.171 5.622 1.00 63.26 C ATOM 1302 O SER A1107 12.865 40.687 5.911 1.00 64.82 O ATOM 1303 CB SER A1107 12.232 38.859 3.535 1.00 58.61 C ATOM 1304 OG SER A1107 11.569 39.900 2.835 1.00 56.89 O ATOM 1305 HG SER A1107 11.898 39.930 1.902 1.00 0.00 H ATOM 1306 H SER A1107 9.828 38.149 4.208 1.00 0.00 H ATOM 1307 N ARG A1108 10.616 40.779 5.819 1.00 65.14 N ATOM 1308 CA ARG A1108 10.515 42.113 6.421 1.00 69.04 C ATOM 1309 C ARG A1108 10.212 42.008 7.913 1.00 74.20 C ATOM 1310 O ARG A1108 9.374 41.210 8.340 1.00 74.77 O ATOM 1311 CB ARG A1108 9.432 42.943 5.720 1.00 68.01 C ATOM 1312 CG ARG A1108 9.502 42.856 4.205 1.00 67.52 C ATOM 1313 CD ARG A1108 8.866 44.038 3.490 1.00 67.02 C ATOM 1314 NE ARG A1108 9.359 44.138 2.114 1.00 67.03 N ATOM 1315 CZ ARG A1108 8.871 44.951 1.177 1.00 66.61 C ATOM 1316 NH1 ARG A1108 7.847 45.760 1.439 1.00 68.12 N ATOM 1317 NH2 ARG A1108 9.409 44.949 -0.039 1.00 66.59 N ATOM 1318 OXT ARG A1108 10.802 42.720 8.728 1.00 77.21 O ATOM 1319 HE ARG A1108 10.155 43.524 1.846 1.00 0.00 H ATOM 1320 HH12 ARG A1108 7.478 46.388 0.697 1.00 0.00 H ATOM 1321 HH11 ARG A1108 7.416 45.764 2.386 1.00 0.00 H ATOM 1322 HH22 ARG A1108 9.033 45.581 -0.775 1.00 0.00 H ATOM 1323 HH21 ARG A1108 10.205 44.316 -0.254 1.00 0.00 H ATOM 1324 H ARG A1108 9.743 40.290 5.536 1.00 0.00 H TER 1325 ARG A1108 HETATM 1326 O HOH 1 -34.912 32.054 9.081 1.00 39.76 O HETATM 1327 O HOH 2 14.272 37.902 0.342 1.00 42.50 O HETATM 1328 O HOH 3 2.987 47.070 0.300 1.00 34.16 O HETATM 1329 O HOH 4 -6.968 40.402 -10.624 1.00 28.76 O HETATM 1330 O HOH 5 -12.623 48.343 -6.717 1.00 58.73 O HETATM 1331 O HOH 6 -23.425 40.365 -8.731 1.00 50.28 O HETATM 1332 O HOH 7 -19.060 36.573 -7.504 1.00 55.18 O HETATM 1333 O HOH 8 -18.207 33.811 -7.474 1.00 54.97 O HETATM 1334 O HOH 9 -20.124 49.766 -1.858 1.00 55.87 O HETATM 1335 O HOH 10 -29.528 38.475 -4.671 1.00 55.12 O HETATM 1336 O HOH 11 -31.620 42.033 -1.625 1.00 47.04 O HETATM 1337 O HOH 12 -16.239 51.277 11.388 1.00 56.44 O HETATM 1338 O HOH 13 -18.957 49.892 14.136 1.00 53.36 O HETATM 1339 O HOH 14 -14.684 50.579 17.014 1.00 54.53 O HETATM 1340 O HOH 15 -9.262 49.551 16.230 1.00 50.90 O HETATM 1341 O HOH 16 -13.160 38.361 16.882 1.00 51.79 O HETATM 1342 O HOH 17 -15.014 51.417 -1.459 1.00 55.83 O HETATM 1343 O HOH 18 -11.596 54.185 -0.860 1.00 54.74 O HETATM 1344 O HOH 19 -3.010 57.267 1.767 1.00 64.24 O HETATM 1345 O HOH 20 3.183 51.479 3.569 1.00 55.02 O HETATM 1346 O HOH 21 -9.034 34.633 10.987 1.00 49.82 O HETATM 1347 O HOH 22 -8.985 39.070 13.260 1.00 50.61 O HETATM 1348 O HOH 23 -13.073 33.584 12.313 1.00 49.94 O HETATM 1349 O HOH 24 -17.391 32.714 13.915 1.00 58.22 O HETATM 1350 O HOH 25 -23.423 30.740 13.854 1.00 57.73 O HETATM 1351 O HOH 26 -18.151 27.385 -1.677 1.00 45.91 O HETATM 1352 O HOH 27 -13.444 27.330 -1.513 1.00 35.40 O HETATM 1353 O HOH 28 -18.898 30.303 -4.972 1.00 54.30 O HETATM 1354 O HOH 29 -10.988 27.231 0.018 1.00 46.98 O HETATM 1355 O HOH 30 -7.025 28.945 -2.026 1.00 53.87 O HETATM 1356 O HOH 31 -14.432 26.283 -3.937 1.00 41.04 O HETATM 1357 O HOH 32 -11.680 25.715 -7.804 1.00 54.64 O HETATM 1358 O HOH 33 -6.394 26.543 -13.154 1.00 63.91 O HETATM 1359 O HOH 34 -2.582 29.883 -2.024 1.00 43.09 O HETATM 1360 O HOH 35 4.060 52.230 -3.993 1.00 57.88 O HETATM 1361 O HOH 36 -13.879 51.679 -4.175 1.00 51.96 O HETATM 1362 O HOH 37 -17.670 27.698 -5.871 1.00 54.54 O HETATM 1363 O HOH 38 -8.815 27.652 3.541 1.00 65.30 O HETATM 1364 O HOH 39 10.845 47.354 -2.336 1.00 61.76 O HETATM 1365 O HOH 40 13.296 41.034 -5.976 1.00 62.25 O HETATM 1366 O HOH 41 15.156 47.167 -7.494 1.00 65.28 O HETATM 1367 O HOH 42 7.786 40.872 -9.918 1.00 56.67 O HETATM 1368 O HOH 43 9.052 39.927 -6.124 1.00 45.58 O HETATM 1369 O HOH 44 11.656 42.841 1.448 1.00 61.23 O HETATM 1370 O HOH 45 12.369 39.923 0.532 1.00 44.40 O HETATM 1371 O HOH 46 14.947 41.479 -2.030 1.00 53.56 O HETATM 1372 O HOH 47 3.875 48.167 -4.285 1.00 38.28 O HETATM 1373 O HOH 48 4.410 48.009 -1.510 1.00 53.67 O HETATM 1374 O HOH 49 6.914 42.953 -12.867 1.00 57.03 O HETATM 1375 O HOH 50 5.926 38.974 -8.775 1.00 44.44 O HETATM 1376 O HOH 51 2.659 47.248 -11.434 1.00 51.99 O HETATM 1377 O HOH 52 -2.672 51.641 -12.966 1.00 53.40 O HETATM 1378 O HOH 53 0.797 36.628 -11.656 1.00 36.04 O HETATM 1379 O HOH 54 -1.434 38.661 -13.764 1.00 25.40 O HETATM 1380 O HOH 55 -2.288 51.620 -3.309 1.00 49.84 O HETATM 1381 O HOH 56 0.379 46.211 -0.375 1.00 28.90 O HETATM 1382 O HOH 57 -8.454 45.804 -9.319 1.00 22.36 O HETATM 1383 O HOH 58 -9.017 39.272 -9.126 1.00 41.84 O HETATM 1384 O HOH 59 -11.158 46.539 -9.099 1.00 35.35 O HETATM 1385 O HOH 60 -14.038 43.285 -9.972 1.00 45.08 O HETATM 1386 O HOH 61 -15.270 47.835 -4.378 1.00 49.36 O HETATM 1387 O HOH 62 -17.968 48.615 -5.057 1.00 54.99 O HETATM 1388 O HOH 63 -20.289 39.921 -8.219 1.00 39.03 O HETATM 1389 O HOH 64 -20.086 37.915 -5.256 1.00 42.37 O HETATM 1390 O HOH 65 -17.911 38.019 -9.676 1.00 40.77 O HETATM 1391 O HOH 66 -17.098 35.397 -9.778 1.00 50.03 O HETATM 1392 O HOH 67 -23.961 44.902 -2.395 1.00 30.20 O HETATM 1393 O HOH 68 -21.811 48.229 -3.704 1.00 42.11 O HETATM 1394 O HOH 69 -25.237 45.978 -6.358 1.00 52.41 O HETATM 1395 O HOH 70 -26.807 38.194 -5.666 1.00 52.27 O HETATM 1396 O HOH 71 -26.275 40.786 -7.126 1.00 41.12 O HETATM 1397 O HOH 72 -29.549 44.084 -1.148 1.00 38.71 O HETATM 1398 O HOH 73 -27.261 42.647 2.464 1.00 29.71 O HETATM 1399 O HOH 74 -26.838 32.996 -0.637 1.00 39.45 O HETATM 1400 O HOH 75 -23.703 31.106 -3.052 1.00 57.19 O HETATM 1401 O HOH 76 -21.542 33.281 -4.518 1.00 41.80 O HETATM 1402 O HOH 77 -23.656 48.449 4.633 1.00 46.29 O HETATM 1403 O HOH 78 -29.620 44.013 2.049 1.00 42.70 O HETATM 1404 O HOH 79 -28.152 47.467 6.576 1.00 52.27 O HETATM 1405 O HOH 80 -26.019 46.387 -3.599 1.00 44.19 O HETATM 1406 O HOH 81 -21.362 46.379 7.861 1.00 37.55 O HETATM 1407 O HOH 82 -18.102 48.731 -0.181 1.00 43.65 O HETATM 1408 O HOH 83 -23.101 50.560 -0.055 1.00 50.15 O HETATM 1409 O HOH 84 -22.413 53.813 6.980 1.00 53.82 O HETATM 1410 O HOH 85 -19.145 49.085 11.398 1.00 53.57 O HETATM 1411 O HOH 86 -21.219 51.700 14.495 1.00 48.73 O HETATM 1412 O HOH 87 -19.879 54.034 11.524 1.00 50.15 O HETATM 1413 O HOH 88 -22.555 51.386 17.196 1.00 46.49 O HETATM 1414 O HOH 89 -27.832 43.504 20.618 1.00 64.46 O HETATM 1415 O HOH 90 -21.703 42.322 12.076 1.00 28.82 O HETATM 1416 O HOH 91 -18.250 44.513 11.414 1.00 36.06 O HETATM 1417 O HOH 92 -15.911 41.996 19.160 1.00 40.11 O HETATM 1418 O HOH 93 -14.706 42.207 16.491 1.00 31.94 O HETATM 1419 O HOH 94 -13.196 49.102 19.849 1.00 43.97 O HETATM 1420 O HOH 95 -11.981 49.051 16.156 1.00 46.43 O HETATM 1421 O HOH 96 -13.334 47.251 24.656 1.00 60.81 O HETATM 1422 O HOH 97 -8.085 44.143 10.802 1.00 45.03 O HETATM 1423 O HOH 98 -12.281 40.952 17.514 1.00 56.24 O HETATM 1424 O HOH 99 -8.506 40.685 18.305 1.00 45.90 O HETATM 1425 O HOH 100 -12.007 48.147 13.258 1.00 46.04 O HETATM 1426 O HOH 101 -12.948 49.041 10.003 1.00 51.51 O HETATM 1427 O HOH 102 -16.638 48.613 9.905 1.00 42.05 O HETATM 1428 O HOH 103 -19.691 44.274 8.175 1.00 30.63 O HETATM 1429 O HOH 104 -19.203 46.717 9.987 1.00 69.69 O HETATM 1430 O HOH 105 -15.289 52.297 6.021 1.00 53.91 O HETATM 1431 O HOH 106 -15.883 47.977 -1.457 1.00 46.18 O HETATM 1432 O HOH 107 -13.398 52.635 0.715 1.00 41.00 O HETATM 1433 O HOH 108 -10.328 50.823 7.728 1.00 53.15 O HETATM 1434 O HOH 109 -7.246 54.243 1.934 1.00 41.25 O HETATM 1435 O HOH 110 -12.904 53.483 4.736 1.00 48.21 O HETATM 1436 O HOH 111 -7.629 47.612 10.644 1.00 55.16 O HETATM 1437 O HOH 112 -3.798 47.390 10.020 1.00 62.21 O HETATM 1438 O HOH 113 -2.708 46.134 0.682 1.00 24.60 O HETATM 1439 O HOH 114 -4.965 55.477 0.513 1.00 45.73 O HETATM 1440 O HOH 115 -3.172 54.233 -2.630 1.00 46.96 O HETATM 1441 O HOH 116 -0.139 53.657 0.781 1.00 61.49 O HETATM 1442 O HOH 117 -9.714 51.825 -4.565 1.00 46.69 O HETATM 1443 O HOH 118 -8.828 54.220 -0.487 1.00 46.29 O HETATM 1444 O HOH 119 1.339 50.142 5.508 1.00 57.74 O HETATM 1445 O HOH 120 4.370 49.875 1.417 1.00 53.48 O HETATM 1446 O HOH 121 -3.041 43.011 7.494 1.00 47.50 O HETATM 1447 O HOH 122 -0.183 45.809 7.876 1.00 51.65 O HETATM 1448 O HOH 123 -0.308 42.129 5.518 1.00 35.45 O HETATM 1449 O HOH 124 0.331 36.198 5.766 1.00 37.80 O HETATM 1450 O HOH 125 -6.215 33.898 6.765 1.00 41.54 O HETATM 1451 O HOH 126 -4.459 32.113 1.050 1.00 54.35 O HETATM 1452 O HOH 127 -5.563 41.168 8.554 1.00 47.24 O HETATM 1453 O HOH 128 -8.333 33.989 8.308 1.00 53.49 O HETATM 1454 O HOH 129 -10.301 37.096 11.423 1.00 30.74 O HETATM 1455 O HOH 130 -15.119 33.533 9.942 1.00 45.96 O HETATM 1456 O HOH 131 -12.657 36.329 12.647 1.00 38.76 O HETATM 1457 O HOH 132 -20.168 42.107 9.850 1.00 30.31 O HETATM 1458 O HOH 133 -17.508 32.697 10.986 1.00 54.01 O HETATM 1459 O HOH 134 -18.403 34.630 15.778 1.00 41.72 O HETATM 1460 O HOH 135 -15.687 38.563 15.405 1.00 38.26 O HETATM 1461 O HOH 136 -14.502 32.741 14.682 1.00 53.39 O HETATM 1462 O HOH 137 -24.194 32.939 15.633 1.00 50.02 O HETATM 1463 O HOH 138 -23.088 35.923 20.308 1.00 48.43 O HETATM 1464 O HOH 139 -16.701 36.426 17.301 1.00 56.16 O HETATM 1465 O HOH 140 -25.795 41.412 19.993 1.00 47.76 O HETATM 1466 O HOH 141 -28.433 41.808 18.236 1.00 53.76 O HETATM 1467 O HOH 142 -26.016 31.491 17.183 1.00 54.56 O HETATM 1468 O HOH 143 -29.481 34.073 21.304 1.00 66.06 O HETATM 1469 O HOH 144 -37.500 29.041 13.739 1.00 39.10 O HETATM 1470 O HOH 145 -40.503 33.533 13.503 1.00 56.28 O HETATM 1471 O HOH 146 -36.052 31.913 11.646 1.00 34.46 O HETATM 1472 O HOH 147 -32.765 32.962 19.787 1.00 52.07 O HETATM 1473 O HOH 148 -35.028 35.244 18.306 1.00 54.57 O HETATM 1474 O HOH 149 -36.348 38.790 12.993 1.00 41.29 O HETATM 1475 O HOH 150 -34.393 34.403 7.629 1.00 32.00 O HETATM 1476 O HOH 151 -28.676 31.098 8.716 1.00 42.40 O HETATM 1477 O HOH 152 -30.426 29.916 14.879 1.00 51.10 O HETATM 1478 O HOH 153 -26.097 29.336 12.548 1.00 64.55 O HETATM 1479 O HOH 154 -28.617 28.111 13.247 1.00 57.25 O HETATM 1480 O HOH 155 -24.530 30.800 3.487 1.00 32.57 O HETATM 1481 O HOH 156 -27.542 34.675 1.526 1.00 31.94 O HETATM 1482 O HOH 157 -32.349 42.556 3.045 1.00 48.69 O HETATM 1483 O HOH 158 -21.456 31.404 -1.163 1.00 52.28 O HETATM 1484 O HOH 159 -20.383 28.973 10.500 1.00 61.80 O HETATM 1485 O HOH 160 -21.195 28.020 4.983 1.00 63.74 O HETATM 1486 O HOH 161 -13.380 28.735 4.827 1.00 62.56 O HETATM 1487 O HOH 162 -13.638 26.591 8.037 1.00 59.78 O HETATM 1488 O HOH 163 -15.757 28.431 -0.320 1.00 30.44 O HETATM 1489 O HOH 164 -19.209 29.909 -2.292 1.00 53.39 O HETATM 1490 O HOH 165 -15.064 28.604 2.529 1.00 58.04 O HETATM 1491 O HOH 166 -22.592 29.771 0.801 1.00 55.27 O HETATM 1492 O HOH 167 -17.111 32.321 -5.401 1.00 48.66 O HETATM 1493 O HOH 168 -9.529 29.486 -0.830 1.00 37.60 O HETATM 1494 O HOH 169 -7.469 31.765 5.560 1.00 50.41 O HETATM 1495 O HOH 170 -13.582 27.659 -6.084 1.00 42.60 O HETATM 1496 O HOH 171 -5.672 28.883 -5.399 1.00 52.05 O HETATM 1497 O HOH 172 -6.477 26.019 -5.519 1.00 68.73 O HETATM 1498 O HOH 173 -8.686 27.548 -11.511 1.00 49.00 O HETATM 1499 O HOH 174 -15.828 31.395 -7.686 1.00 55.85 O HETATM 1500 O HOH 175 -12.992 31.784 -11.665 1.00 64.36 O HETATM 1501 O HOH 176 -3.647 34.453 -11.306 1.00 63.20 O HETATM 1502 O HOH 177 -6.380 35.906 -11.168 1.00 32.17 O HETATM 1503 O HOH 178 2.123 28.631 -10.698 1.00 50.39 O HETATM 1504 O HOH 179 0.788 27.326 -8.322 1.00 58.24 O HETATM 1505 O HOH 180 -1.148 32.174 -12.928 1.00 51.07 O HETATM 1506 O HOH 181 -2.116 27.707 -8.289 1.00 37.53 O HETATM 1507 O HOH 182 0.314 29.205 -1.740 1.00 44.44 O HETATM 1508 O HOH 183 1.555 25.181 -6.326 1.00 59.56 O HETATM 1509 O HOH 184 4.459 27.578 -3.726 1.00 49.70 O HETATM 1510 O HOH 185 4.671 25.160 -7.454 1.00 49.25 O HETATM 1511 O HOH 186 1.353 30.230 0.527 1.00 47.80 O HETATM 1512 O HOH 187 11.582 35.232 3.367 1.00 46.25 O HETATM 1513 O HOH 188 9.569 28.814 2.081 1.00 45.10 O HETATM 1514 O HOH 189 5.794 38.463 8.613 1.00 60.11 O HETATM 1515 O HOH 190 9.882 32.953 4.249 1.00 54.10 O HETATM 1516 O HOH 191 -3.470 31.089 -14.502 1.00 64.67 O HETATM 1517 O HOH 192 -5.044 38.349 -10.936 1.00 25.58 O HETATM 1518 O HOH 193 -0.939 34.689 -10.567 1.00 61.08 O HETATM 1519 O HOH 194 -32.434 45.589 12.187 1.00 46.45 O HETATM 1520 O HOH 195 -30.571 46.667 15.311 1.00 62.12 O HETATM 1521 O HOH 196 -34.767 41.677 15.983 1.00 53.48 O HETATM 1522 O HOH 197 -8.598 27.772 11.610 1.00 71.47 O HETATM 1523 O3 YEJ A 198 -24.311 42.635 12.117 1.00 -0.40 O HETATM 1524 C19 YEJ A 198 -25.103 43.497 11.747 1.00 0.22 C HETATM 1525 C1 YEJ A 198 -24.834 44.494 10.733 1.00 0.03 C HETATM 1526 C YEJ A 198 -23.490 44.501 10.057 1.00 -0.02 C HETATM 1527 H1 YEJ A 198 -23.455 45.316 9.320 1.00 0.04 H HETATM 1528 H2 YEJ A 198 -23.331 43.539 9.548 1.00 0.04 H HETATM 1529 H3 YEJ A 198 -22.702 44.653 10.809 1.00 0.04 H HETATM 1530 C2 YEJ A 198 -25.721 45.434 10.344 1.00 -0.04 C HETATM 1531 C3 YEJ A 198 -27.018 45.448 10.970 1.00 0.00 C HETATM 1532 C18 YEJ A 198 -27.327 44.487 11.944 1.00 0.13 C HETATM 1533 N3 YEJ A 198 -26.343 43.573 12.277 1.00 -0.23 N HETATM 1534 H4 YEJ A 198 -26.573 42.901 12.981 1.00 0.24 H HETATM 1535 C6 YEJ A 198 -28.596 44.397 12.557 1.00 0.14 C HETATM 1536 N YEJ A 198 -29.529 45.313 12.219 1.00 -0.30 N HETATM 1537 C5 YEJ A 198 -29.241 46.253 11.302 1.00 -0.02 C HETATM 1538 C4 YEJ A 198 -28.027 46.363 10.649 1.00 -0.06 C HETATM 1539 H7 YEJ A 198 -27.861 47.137 9.909 1.00 0.05 H HETATM 1540 H6 YEJ A 198 -30.013 46.974 11.058 1.00 0.06 H HETATM 1541 N1 YEJ A 198 -28.957 43.430 13.418 1.00 -0.31 N HETATM 1542 C7 YEJ A 198 -30.254 43.244 14.033 1.00 0.07 C HETATM 1543 C11 YEJ A 198 -30.943 42.184 13.187 1.00 0.12 C HETATM 1544 C10 YEJ A 198 -32.326 41.831 13.804 1.00 -0.00 C HETATM 1545 N2 YEJ A 198 -32.204 41.350 15.178 1.00 0.23 N HETATM 1546 C9 YEJ A 198 -31.413 42.223 16.056 1.00 -0.03 C HETATM 1547 C8 YEJ A 198 -30.123 42.759 15.473 1.00 0.01 C HETATM 1548 H17 YEJ A 198 -29.786 43.602 16.094 1.00 0.03 H HETATM 1549 H18 YEJ A 198 -29.370 41.958 15.502 1.00 0.03 H HETATM 1550 H15 YEJ A 198 -31.161 41.651 16.961 1.00 0.08 H HETATM 1551 H16 YEJ A 198 -32.041 43.083 16.330 1.00 0.08 H HETATM 1552 H13 YEJ A 198 -31.766 40.443 15.157 1.00 0.20 H HETATM 1553 H14 YEJ A 198 -33.130 41.267 15.567 1.00 0.20 H HETATM 1554 H11 YEJ A 198 -32.798 41.047 13.194 1.00 0.08 H HETATM 1555 H12 YEJ A 198 -32.958 42.731 13.797 1.00 0.08 H HETATM 1556 O YEJ A 198 -31.138 42.732 11.877 1.00 -0.37 O HETATM 1557 C12 YEJ A 198 -31.321 41.760 10.843 1.00 0.05 C HETATM 1558 C13 YEJ A 198 -31.223 42.505 9.535 1.00 -0.01 C HETATM 1559 C17 YEJ A 198 -31.555 41.569 8.379 1.00 -0.03 C HETATM 1560 C16 YEJ A 198 -31.540 42.278 7.022 1.00 0.07 C HETATM 1561 S YEJ A 198 -29.910 42.851 6.667 1.00 -0.03 S HETATM 1562 O1 YEJ A 198 -29.939 43.664 5.482 1.00 -0.17 O HETATM 1563 O2 YEJ A 198 -28.999 41.739 6.708 1.00 -0.17 O HETATM 1564 C15 YEJ A 198 -29.628 43.882 8.071 1.00 0.07 C HETATM 1565 C14 YEJ A 198 -29.823 43.070 9.333 1.00 -0.03 C HETATM 1566 H28 YEJ A 198 -29.117 42.227 9.307 1.00 0.03 H HETATM 1567 H29 YEJ A 198 -29.590 43.717 10.192 1.00 0.03 H HETATM 1568 H26 YEJ A 198 -30.339 44.721 8.060 1.00 0.05 H HETATM 1569 H27 YEJ A 198 -28.600 44.272 8.040 1.00 0.05 H HETATM 1570 H24 YEJ A 198 -32.230 43.134 7.049 1.00 0.05 H HETATM 1571 H25 YEJ A 198 -31.859 41.575 6.239 1.00 0.05 H HETATM 1572 H22 YEJ A 198 -32.557 41.147 8.544 1.00 0.03 H HETATM 1573 H23 YEJ A 198 -30.814 40.757 8.360 1.00 0.03 H HETATM 1574 H21 YEJ A 198 -31.945 43.335 9.546 1.00 0.03 H HETATM 1575 H19 YEJ A 198 -32.309 41.286 10.937 1.00 0.06 H HETATM 1576 H20 YEJ A 198 -30.538 40.990 10.902 1.00 0.06 H HETATM 1577 H10 YEJ A 198 -30.319 41.280 13.132 1.00 0.07 H HETATM 1578 H9 YEJ A 198 -30.824 44.185 14.016 1.00 0.06 H HETATM 1579 H8 YEJ A 198 -28.230 42.745 13.668 1.00 0.18 H HETATM 1580 H5 YEJ A 198 -25.463 46.163 9.577 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1523 1524 CONECT 1524 1523 1525 1533 CONECT 1525 1524 1526 1530 CONECT 1526 1525 1527 1528 1529 CONECT 1527 1526 CONECT 1528 1526 CONECT 1529 1526 CONECT 1530 1525 1531 1580 CONECT 1531 1530 1532 1538 CONECT 1532 1531 1533 1535 CONECT 1533 1524 1532 1534 CONECT 1534 1533 CONECT 1535 1532 1536 1541 CONECT 1536 1535 1537 CONECT 1537 1536 1538 1540 CONECT 1538 1531 1537 1539 CONECT 1539 1538 CONECT 1540 1537 CONECT 1541 1535 1542 1579 CONECT 1542 1541 1543 1547 1578 CONECT 1543 1542 1544 1556 1577 CONECT 1544 1543 1545 1554 1555 CONECT 1545 1544 1546 1552 1553 CONECT 1546 1545 1547 1550 1551 CONECT 1547 1542 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1546 CONECT 1551 1546 CONECT 1552 1545 CONECT 1553 1545 CONECT 1554 1544 CONECT 1555 1544 CONECT 1556 1543 1557 CONECT 1557 1556 1558 1575 1576 CONECT 1558 1557 1559 1565 1574 CONECT 1559 1558 1560 1572 1573 CONECT 1560 1559 1561 1570 1571 CONECT 1561 1560 1562 1563 1564 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 1565 1568 1569 CONECT 1565 1558 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1564 CONECT 1569 1564 CONECT 1570 1560 CONECT 1571 1560 CONECT 1572 1559 CONECT 1573 1559 CONECT 1574 1558 CONECT 1575 1557 CONECT 1576 1557 CONECT 1577 1543 CONECT 1578 1542 CONECT 1579 1541 CONECT 1580 1530 MASTER 0 0 0 0 0 0 0 0 1579 1 62 10 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5a82
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human ATAD2 bromodomain
Ligand Name
YEJ
EC.Number
E.C.3.6.1.3
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
IC50=2.51uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6151-6178
Ligand Properties
Formula
C
2
0
H
2
9
N
4
O
4
S
Molecular Weight
421.534
Exact Mass
421.191
No. of atoms
58
No. of bonds
61
Polar Surface Area
126.14
LOGP Value
0.76 (
Computed with XLOGP3
)
2.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=c1[nH]c2c(nccc2cc1C)N[C@@H]1CC[NH2+]C[C@H]1OCC1CCS(=O)(=O)CC1
InChI String
InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/p+1/t16-,17-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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