Browse entries in the PDBbind-CN Database
HEADER 4QSU_COMPLEX COMPND 4QSU_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 TDR A 332 15 ATOM 1 N SER A 979 -12.974 45.597 3.069 1.00 37.02 N ATOM 2 CA SER A 979 -13.360 45.752 4.487 1.00 39.22 C ATOM 3 C SER A 979 -12.178 46.197 5.349 1.00 43.42 C ATOM 4 O SER A 979 -11.006 46.030 4.975 1.00 40.42 O ATOM 5 CB SER A 979 -13.894 44.420 5.004 1.00 40.32 C ATOM 6 OG SER A 979 -12.853 43.588 5.519 1.00 36.48 O ATOM 7 HG SER A 979 -13.242 42.737 5.843 1.00 0.00 H ATOM 8 HN3 SER A 979 -12.224 44.881 2.992 1.00 0.00 H ATOM 9 HN2 SER A 979 -12.626 46.507 2.704 1.00 0.00 H ATOM 10 HN1 SER A 979 -13.802 45.294 2.517 1.00 0.00 H ATOM 11 N MET A 980 -12.472 46.722 6.531 1.00 46.55 N ATOM 12 CA MET A 980 -11.396 47.123 7.415 1.00 47.11 C ATOM 13 C MET A 980 -10.589 45.928 7.902 1.00 42.33 C ATOM 14 O MET A 980 -9.388 46.077 8.094 1.00 35.31 O ATOM 15 CB MET A 980 -11.890 47.986 8.580 1.00 58.24 C ATOM 16 CG MET A 980 -12.097 49.442 8.156 1.00 71.86 C ATOM 17 SD MET A 980 -12.859 50.511 9.404 1.00 97.39 S ATOM 18 CE MET A 980 -13.366 51.944 8.438 1.00 97.94 C ATOM 19 H MET A 980 -13.463 46.844 6.820 1.00 0.00 H ATOM 20 N GLN A 981 -11.210 44.758 8.103 1.00 37.82 N ATOM 21 CA GLN A 981 -10.424 43.558 8.458 1.00 39.69 C ATOM 22 C GLN A 981 -9.458 43.206 7.343 1.00 32.09 C ATOM 23 O GLN A 981 -8.342 42.784 7.617 1.00 30.41 O ATOM 24 CB GLN A 981 -11.286 42.316 8.691 1.00 43.73 C ATOM 25 CG GLN A 981 -12.123 42.345 9.953 1.00 49.75 C ATOM 26 CD GLN A 981 -13.476 43.043 9.762 1.00 53.92 C ATOM 27 OE1 GLN A 981 -13.787 43.660 8.718 1.00 49.42 O ATOM 28 NE2 GLN A 981 -14.281 42.969 10.800 1.00 58.59 N ATOM 29 HE22 GLN A 981 -13.987 42.447 11.650 1.00 0.00 H ATOM 30 HE21 GLN A 981 -15.211 43.433 10.771 1.00 0.00 H ATOM 31 H GLN A 981 -12.244 44.694 8.009 1.00 0.00 H ATOM 32 N GLU A 982 -9.915 43.331 6.088 1.00 29.07 N ATOM 33 CA GLU A 982 -9.037 43.124 4.950 1.00 27.05 C ATOM 34 C GLU A 982 -7.871 44.100 4.907 1.00 26.47 C ATOM 35 O GLU A 982 -6.708 43.697 4.672 1.00 22.18 O ATOM 36 CB GLU A 982 -9.830 43.121 3.660 1.00 28.05 C ATOM 37 CG GLU A 982 -10.726 41.887 3.587 1.00 28.10 C ATOM 38 CD GLU A 982 -11.696 41.947 2.410 1.00 30.72 C ATOM 39 OE1 GLU A 982 -11.835 43.030 1.800 1.00 32.14 O ATOM 40 OE2 GLU A 982 -12.322 40.912 2.088 1.00 29.30 O ATOM 41 H GLU A 982 -10.912 43.580 5.928 1.00 0.00 H ATOM 42 N GLU A 983 -8.148 45.379 5.133 1.00 26.46 N ATOM 43 CA GLU A 983 -7.052 46.356 5.201 1.00 28.71 C ATOM 44 C GLU A 983 -6.016 46.041 6.314 1.00 26.46 C ATOM 45 O GLU A 983 -4.815 46.293 6.131 1.00 24.38 O ATOM 46 CB GLU A 983 -7.606 47.780 5.336 1.00 32.97 C ATOM 47 CG GLU A 983 -8.401 48.260 4.122 1.00 36.95 C ATOM 48 CD GLU A 983 -7.787 47.871 2.765 1.00 41.80 C ATOM 49 OE1 GLU A 983 -6.547 48.035 2.587 1.00 49.15 O ATOM 50 OE2 GLU A 983 -8.531 47.371 1.874 1.00 47.17 O ATOM 51 H GLU A 983 -9.133 45.687 5.261 1.00 0.00 H ATOM 52 N ASP A 984 -6.496 45.603 7.486 1.00 26.05 N ATOM 53 CA ASP A 984 -5.639 45.139 8.569 1.00 26.17 C ATOM 54 C ASP A 984 -4.751 43.950 8.139 1.00 23.09 C ATOM 55 O ASP A 984 -3.553 43.914 8.474 1.00 22.25 O ATOM 56 CB ASP A 984 -6.454 44.664 9.763 1.00 30.12 C ATOM 57 CG ASP A 984 -7.077 45.798 10.579 1.00 37.69 C ATOM 58 OD1 ASP A 984 -6.735 46.987 10.419 1.00 41.01 O ATOM 59 OD2 ASP A 984 -7.963 45.468 11.383 1.00 47.80 O ATOM 60 H ASP A 984 -7.526 45.594 7.629 1.00 0.00 H ATOM 61 N THR A 985 -5.323 43.014 7.370 1.00 21.28 N ATOM 62 CA THR A 985 -4.549 41.891 6.821 1.00 19.96 C ATOM 63 C THR A 985 -3.401 42.448 5.948 1.00 18.69 C ATOM 64 O THR A 985 -2.264 42.024 6.103 1.00 17.20 O ATOM 65 CB THR A 985 -5.450 40.942 5.994 1.00 20.76 C ATOM 66 OG1 THR A 985 -6.478 40.437 6.856 1.00 21.45 O ATOM 67 CG2 THR A 985 -4.658 39.759 5.428 1.00 20.33 C ATOM 68 HG1 THR A 985 -6.064 39.944 7.608 1.00 0.00 H ATOM 69 H THR A 985 -6.338 43.083 7.156 1.00 0.00 H ATOM 70 N PHE A 986 -3.725 43.319 4.989 1.00 18.48 N ATOM 71 CA PHE A 986 -2.714 43.828 4.081 1.00 18.87 C ATOM 72 C PHE A 986 -1.666 44.670 4.851 1.00 19.51 C ATOM 73 O PHE A 986 -0.501 44.639 4.484 1.00 19.47 O ATOM 74 CB PHE A 986 -3.282 44.571 2.877 1.00 20.14 C ATOM 75 CG PHE A 986 -4.039 43.710 1.919 1.00 20.95 C ATOM 76 CD1 PHE A 986 -3.553 42.478 1.489 1.00 21.74 C ATOM 77 CD2 PHE A 986 -5.263 44.123 1.447 1.00 23.16 C ATOM 78 CE1 PHE A 986 -4.232 41.708 0.552 1.00 23.41 C ATOM 79 CE2 PHE A 986 -5.959 43.346 0.520 1.00 23.66 C ATOM 80 CZ PHE A 986 -5.461 42.144 0.089 1.00 23.52 C ATOM 81 H PHE A 986 -4.711 43.635 4.892 1.00 0.00 H ATOM 82 N ARG A 987 -2.067 45.415 5.892 1.00 19.81 N ATOM 83 CA ARG A 987 -1.095 46.163 6.687 1.00 19.95 C ATOM 84 C ARG A 987 -0.122 45.209 7.370 1.00 19.02 C ATOM 85 O ARG A 987 1.080 45.479 7.387 1.00 17.88 O ATOM 86 CB ARG A 987 -1.779 47.046 7.711 1.00 21.58 C ATOM 87 CG ARG A 987 -0.838 48.040 8.370 1.00 22.59 C ATOM 88 CD ARG A 987 -1.583 49.014 9.269 1.00 23.31 C ATOM 89 NE ARG A 987 -0.619 49.797 10.047 1.00 23.92 N ATOM 90 CZ ARG A 987 -0.202 49.541 11.283 1.00 22.72 C ATOM 91 NH1 ARG A 987 -0.612 48.486 11.988 1.00 20.77 N ATOM 92 NH2 ARG A 987 0.674 50.375 11.802 1.00 24.54 N ATOM 93 HE ARG A 987 -0.220 50.639 9.585 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.253 48.334 12.952 1.00 0.00 H ATOM 95 HH11 ARG A 987 -1.291 47.816 11.574 1.00 0.00 H ATOM 96 HH22 ARG A 987 1.032 50.220 12.766 1.00 0.00 H ATOM 97 HH21 ARG A 987 1.008 51.189 11.248 1.00 0.00 H ATOM 98 H ARG A 987 -3.077 45.461 6.135 1.00 0.00 H ATOM 99 N GLU A 988 -0.632 44.099 7.901 1.00 17.67 N ATOM 100 CA GLU A 988 0.203 43.056 8.497 1.00 17.11 C ATOM 101 C GLU A 988 1.152 42.465 7.464 1.00 16.61 C ATOM 102 O GLU A 988 2.344 42.361 7.720 1.00 14.58 O ATOM 103 CB GLU A 988 -0.621 41.962 9.215 1.00 18.10 C ATOM 104 CG GLU A 988 0.271 40.813 9.712 1.00 18.27 C ATOM 105 CD GLU A 988 -0.330 39.933 10.766 1.00 19.25 C ATOM 106 OE1 GLU A 988 0.340 38.913 11.146 1.00 19.34 O ATOM 107 OE2 GLU A 988 -1.477 40.170 11.128 1.00 19.24 O ATOM 108 H GLU A 988 -1.664 43.969 7.892 1.00 0.00 H ATOM 109 N LEU A 989 0.664 42.182 6.254 1.00 15.80 N ATOM 110 CA LEU A 989 1.529 41.788 5.185 1.00 16.24 C ATOM 111 C LEU A 989 2.662 42.774 4.945 1.00 15.78 C ATOM 112 O LEU A 989 3.832 42.385 4.820 1.00 14.35 O ATOM 113 CB LEU A 989 0.737 41.543 3.887 1.00 17.05 C ATOM 114 CG LEU A 989 1.529 41.195 2.636 1.00 17.20 C ATOM 115 CD1 LEU A 989 2.171 39.832 2.819 1.00 18.10 C ATOM 116 CD2 LEU A 989 0.669 41.265 1.357 1.00 18.71 C ATOM 117 H LEU A 989 -0.360 42.249 6.086 1.00 0.00 H ATOM 118 N ARG A 990 2.341 44.059 4.817 1.00 15.47 N ATOM 119 CA ARG A 990 3.365 45.045 4.602 1.00 15.69 C ATOM 120 C ARG A 990 4.417 45.073 5.688 1.00 15.04 C ATOM 121 O ARG A 990 5.627 45.113 5.414 1.00 15.90 O ATOM 122 CB ARG A 990 2.746 46.432 4.352 1.00 16.16 C ATOM 123 CG ARG A 990 1.902 46.464 3.106 1.00 16.78 C ATOM 124 CD ARG A 990 1.491 47.895 2.759 1.00 17.35 C ATOM 125 NE ARG A 990 0.671 48.547 3.772 1.00 18.64 N ATOM 126 CZ ARG A 990 -0.666 48.460 3.839 1.00 20.19 C ATOM 127 NH1 ARG A 990 -1.339 47.780 2.945 1.00 21.47 N ATOM 128 NH2 ARG A 990 -1.312 49.143 4.749 1.00 21.39 N ATOM 129 HE ARG A 990 1.156 49.119 4.493 1.00 0.00 H ATOM 130 HH12 ARG A 990 -2.375 47.721 3.009 1.00 0.00 H ATOM 131 HH11 ARG A 990 -0.837 47.299 2.171 1.00 0.00 H ATOM 132 HH22 ARG A 990 -2.348 49.081 4.807 1.00 0.00 H ATOM 133 HH21 ARG A 990 -0.789 49.748 5.414 1.00 0.00 H ATOM 134 H ARG A 990 1.345 44.351 4.873 1.00 0.00 H ATOM 135 N ILE A 991 3.983 44.965 6.924 1.00 15.42 N ATOM 136 CA ILE A 991 4.916 44.915 8.045 1.00 15.63 C ATOM 137 C ILE A 991 5.865 43.720 7.944 1.00 15.09 C ATOM 138 O ILE A 991 7.076 43.865 8.091 1.00 14.60 O ATOM 139 CB ILE A 991 4.177 44.925 9.397 1.00 16.79 C ATOM 140 CG1 ILE A 991 3.420 46.277 9.527 1.00 18.60 C ATOM 141 CG2 ILE A 991 5.114 44.549 10.526 1.00 18.56 C ATOM 142 CD1 ILE A 991 2.353 46.222 10.561 1.00 19.74 C ATOM 143 H ILE A 991 2.960 44.914 7.106 1.00 0.00 H ATOM 144 N PHE A 992 5.291 42.577 7.652 1.00 14.82 N ATOM 145 CA PHE A 992 6.075 41.344 7.472 1.00 14.55 C ATOM 146 C PHE A 992 7.079 41.510 6.349 1.00 14.19 C ATOM 147 O PHE A 992 8.289 41.187 6.523 1.00 14.97 O ATOM 148 CB PHE A 992 5.111 40.163 7.233 1.00 15.63 C ATOM 149 CG PHE A 992 5.824 38.888 6.854 1.00 15.75 C ATOM 150 CD1 PHE A 992 6.525 38.158 7.800 1.00 17.51 C ATOM 151 CD2 PHE A 992 5.791 38.431 5.542 1.00 18.30 C ATOM 152 CE1 PHE A 992 7.211 36.974 7.440 1.00 17.93 C ATOM 153 CE2 PHE A 992 6.489 37.254 5.183 1.00 18.62 C ATOM 154 CZ PHE A 992 7.170 36.527 6.155 1.00 18.15 C ATOM 155 H PHE A 992 4.257 42.541 7.545 1.00 0.00 H ATOM 156 N LEU A 993 6.641 42.057 5.205 1.00 15.77 N ATOM 157 CA LEU A 993 7.543 42.220 4.062 1.00 15.91 C ATOM 158 C LEU A 993 8.667 43.207 4.292 1.00 16.57 C ATOM 159 O LEU A 993 9.788 42.994 3.829 1.00 14.80 O ATOM 160 CB LEU A 993 6.799 42.619 2.832 1.00 16.58 C ATOM 161 CG LEU A 993 5.798 41.573 2.325 1.00 17.53 C ATOM 162 CD1 LEU A 993 5.012 42.032 1.088 1.00 17.62 C ATOM 163 CD2 LEU A 993 6.394 40.190 2.090 1.00 18.87 C ATOM 164 H LEU A 993 5.652 42.368 5.129 1.00 0.00 H ATOM 165 N ARG A 994 8.377 44.299 4.980 1.00 16.49 N ATOM 166 CA ARG A 994 9.426 45.289 5.310 1.00 17.13 C ATOM 167 C ARG A 994 10.486 44.639 6.189 1.00 17.02 C ATOM 168 O ARG A 994 11.668 44.903 6.070 1.00 16.14 O ATOM 169 CB ARG A 994 8.896 46.506 6.043 1.00 18.33 C ATOM 170 CG ARG A 994 8.068 47.448 5.240 1.00 18.38 C ATOM 171 CD ARG A 994 7.818 48.769 5.988 1.00 19.83 C ATOM 172 NE ARG A 994 6.716 49.407 5.310 1.00 20.21 N ATOM 173 CZ ARG A 994 5.451 49.289 5.658 1.00 21.99 C ATOM 174 NH1 ARG A 994 5.094 48.648 6.783 1.00 21.28 N ATOM 175 NH2 ARG A 994 4.533 49.833 4.893 1.00 22.40 N ATOM 176 HE ARG A 994 6.936 50.003 4.487 1.00 0.00 H ATOM 177 HH12 ARG A 994 4.089 48.567 7.039 1.00 0.00 H ATOM 178 HH11 ARG A 994 5.822 48.233 7.399 1.00 0.00 H ATOM 179 HH22 ARG A 994 3.528 49.752 5.149 1.00 0.00 H ATOM 180 HH21 ARG A 994 4.811 50.345 4.031 1.00 0.00 H ATOM 181 H ARG A 994 7.399 44.464 5.293 1.00 0.00 H ATOM 182 N ASN A 995 10.045 43.835 7.138 1.00 17.62 N ATOM 183 CA ASN A 995 10.978 43.208 8.044 1.00 18.93 C ATOM 184 C ASN A 995 11.882 42.236 7.296 1.00 17.54 C ATOM 185 O ASN A 995 13.088 42.286 7.463 1.00 16.49 O ATOM 186 CB ASN A 995 10.237 42.505 9.152 1.00 21.55 C ATOM 187 CG ASN A 995 11.166 41.735 10.046 1.00 23.30 C ATOM 188 OD1 ASN A 995 11.344 40.561 9.899 1.00 19.33 O ATOM 189 ND2 ASN A 995 11.787 42.448 11.003 1.00 28.28 N ATOM 190 HD22 ASN A 995 11.602 43.467 11.095 1.00 0.00 H ATOM 191 HD21 ASN A 995 12.452 41.980 11.651 1.00 0.00 H ATOM 192 H ASN A 995 9.025 43.653 7.233 1.00 0.00 H ATOM 193 N VAL A 996 11.310 41.364 6.461 1.00 16.67 N ATOM 194 CA VAL A 996 12.114 40.414 5.662 1.00 16.03 C ATOM 195 C VAL A 996 13.100 41.250 4.803 1.00 16.36 C ATOM 196 O VAL A 996 14.298 40.963 4.728 1.00 15.21 O ATOM 197 CB VAL A 996 11.247 39.526 4.777 1.00 15.78 C ATOM 198 CG1 VAL A 996 12.088 38.710 3.789 1.00 16.90 C ATOM 199 CG2 VAL A 996 10.314 38.670 5.589 1.00 16.74 C ATOM 200 H VAL A 996 10.274 41.353 6.371 1.00 0.00 H ATOM 201 N THR A 997 12.584 42.283 4.145 1.00 16.33 N ATOM 202 CA THR A 997 13.421 43.091 3.226 1.00 16.64 C ATOM 203 C THR A 997 14.561 43.783 3.972 1.00 16.71 C ATOM 204 O THR A 997 15.675 43.800 3.471 1.00 17.20 O ATOM 205 CB THR A 997 12.569 44.111 2.440 1.00 16.18 C ATOM 206 OG1 THR A 997 11.465 43.403 1.873 1.00 16.86 O ATOM 207 CG2 THR A 997 13.385 44.825 1.332 1.00 18.18 C ATOM 208 HG1 THR A 997 10.931 42.991 2.598 1.00 0.00 H ATOM 209 H THR A 997 11.582 42.527 4.276 1.00 0.00 H ATOM 210 N HIS A 998 14.299 44.322 5.158 1.00 16.94 N ATOM 211 CA HIS A 998 15.318 44.932 5.971 1.00 18.49 C ATOM 212 C HIS A 998 16.433 43.916 6.305 1.00 17.65 C ATOM 213 O HIS A 998 17.641 44.230 6.288 1.00 17.25 O ATOM 214 CB HIS A 998 14.704 45.423 7.300 1.00 20.71 C ATOM 215 CG HIS A 998 15.705 45.980 8.260 1.00 25.21 C ATOM 216 ND1 HIS A 998 16.368 47.172 8.035 1.00 28.64 N ATOM 217 CD2 HIS A 998 16.088 45.573 9.496 1.00 27.78 C ATOM 218 CE1 HIS A 998 17.153 47.449 9.060 1.00 28.96 C ATOM 219 NE2 HIS A 998 17.010 46.486 9.959 1.00 30.04 N ATOM 220 H HIS A 998 13.321 44.302 5.512 1.00 0.00 H ATOM 221 N ARG A 999 16.010 42.713 6.683 1.00 16.49 N ATOM 222 CA ARG A 999 16.989 41.679 7.032 1.00 16.76 C ATOM 223 C ARG A 999 17.874 41.285 5.866 1.00 16.23 C ATOM 224 O ARG A 999 19.033 40.957 6.050 1.00 18.07 O ATOM 225 CB ARG A 999 16.300 40.484 7.638 1.00 17.20 C ATOM 226 CG ARG A 999 15.803 40.804 9.058 1.00 18.42 C ATOM 227 CD ARG A 999 14.552 39.990 9.436 1.00 19.23 C ATOM 228 NE ARG A 999 14.895 38.581 9.574 1.00 18.60 N ATOM 229 CZ ARG A 999 13.993 37.620 9.700 1.00 19.01 C ATOM 230 NH1 ARG A 999 14.394 36.371 9.824 1.00 18.47 N ATOM 231 NH2 ARG A 999 12.723 37.919 9.771 1.00 19.19 N ATOM 232 HE ARG A 999 15.901 38.316 9.574 1.00 0.00 H ATOM 233 HH12 ARG A 999 13.695 35.608 9.924 1.00 0.00 H ATOM 234 HH11 ARG A 999 15.410 36.148 9.822 1.00 0.00 H ATOM 235 HH22 ARG A 999 12.016 37.163 9.870 1.00 0.00 H ATOM 236 HH21 ARG A 999 12.420 38.913 9.729 1.00 0.00 H ATOM 237 H ARG A 999 14.992 42.507 6.731 1.00 0.00 H ATOM 238 N LEU A1000 17.327 41.292 4.672 1.00 15.34 N ATOM 239 CA LEU A1000 18.108 41.077 3.480 1.00 16.27 C ATOM 240 C LEU A1000 19.045 42.268 3.180 1.00 16.91 C ATOM 241 O LEU A1000 20.239 42.059 2.901 1.00 16.45 O ATOM 242 CB LEU A1000 17.214 40.836 2.269 1.00 16.25 C ATOM 243 CG LEU A1000 16.309 39.612 2.355 1.00 16.90 C ATOM 244 CD1 LEU A1000 15.406 39.706 1.159 1.00 17.60 C ATOM 245 CD2 LEU A1000 17.108 38.334 2.456 1.00 18.40 C ATOM 246 H LEU A1000 16.304 41.457 4.584 1.00 0.00 H ATOM 247 N ALA A1001 18.517 43.483 3.313 1.00 16.73 N ATOM 248 CA ALA A1001 19.268 44.688 3.025 1.00 18.17 C ATOM 249 C ALA A1001 20.452 44.947 3.942 1.00 19.93 C ATOM 250 O ALA A1001 21.409 45.533 3.494 1.00 21.48 O ATOM 251 CB ALA A1001 18.351 45.922 2.998 1.00 18.95 C ATOM 252 H ALA A1001 17.532 43.570 3.635 1.00 0.00 H ATOM 253 N ILE A1002 20.410 44.509 5.204 1.00 20.58 N ATOM 254 CA ILE A1002 21.533 44.691 6.071 1.00 22.61 C ATOM 255 C ILE A1002 22.619 43.603 5.962 1.00 23.59 C ATOM 256 O ILE A1002 23.631 43.708 6.600 1.00 23.14 O ATOM 257 CB ILE A1002 21.129 44.849 7.542 1.00 23.77 C ATOM 258 CG1 ILE A1002 20.576 43.551 8.109 1.00 24.14 C ATOM 259 CG2 ILE A1002 20.160 46.032 7.652 1.00 25.98 C ATOM 260 CD1 ILE A1002 20.032 43.689 9.548 1.00 27.16 C ATOM 261 H ILE A1002 19.556 44.033 5.558 1.00 0.00 H ATOM 262 N ASP A1003 22.389 42.569 5.185 1.00 21.99 N ATOM 263 CA ASP A1003 23.364 41.493 5.009 1.00 23.33 C ATOM 264 C ASP A1003 24.445 41.979 4.058 1.00 24.03 C ATOM 265 O ASP A1003 24.188 42.382 2.916 1.00 21.44 O ATOM 266 CB ASP A1003 22.662 40.244 4.455 1.00 22.36 C ATOM 267 CG ASP A1003 23.526 39.023 4.514 1.00 24.04 C ATOM 268 OD1 ASP A1003 24.645 39.013 3.959 1.00 24.70 O ATOM 269 OD2 ASP A1003 23.017 38.017 5.023 1.00 24.32 O ATOM 270 H ASP A1003 21.483 42.514 4.678 1.00 0.00 H ATOM 271 N LYS A1004 25.684 41.973 4.527 1.00 26.45 N ATOM 272 CA LYS A1004 26.766 42.523 3.708 1.00 27.81 C ATOM 273 C LYS A1004 26.918 41.824 2.353 1.00 26.10 C ATOM 274 O LYS A1004 27.351 42.434 1.405 1.00 25.14 O ATOM 275 CB LYS A1004 28.092 42.517 4.511 1.00 33.67 C ATOM 276 CG LYS A1004 28.548 41.143 4.928 1.00 39.44 C ATOM 277 CD LYS A1004 29.855 41.194 5.791 1.00 50.06 C ATOM 278 CE LYS A1004 30.069 39.895 6.590 1.00 54.57 C ATOM 279 NZ LYS A1004 31.324 39.785 7.386 1.00 65.61 N ATOM 280 HZ1 LYS A1004 32.144 39.860 6.750 1.00 0.00 H ATOM 281 HZ2 LYS A1004 31.357 40.552 8.087 1.00 0.00 H ATOM 282 HZ3 LYS A1004 31.344 38.867 7.874 1.00 0.00 H ATOM 283 H LYS A1004 25.886 41.581 5.469 1.00 0.00 H ATOM 284 N ARG A1005 26.466 40.582 2.208 1.00 23.94 N ATOM 285 CA ARG A1005 26.595 39.934 0.925 1.00 22.96 C ATOM 286 C ARG A1005 25.707 40.568 -0.137 1.00 24.03 C ATOM 287 O ARG A1005 25.937 40.386 -1.337 1.00 23.44 O ATOM 288 CB ARG A1005 26.157 38.481 1.012 1.00 22.34 C ATOM 289 CG ARG A1005 27.006 37.586 1.881 1.00 24.87 C ATOM 290 CD ARG A1005 26.337 36.229 1.995 1.00 23.83 C ATOM 291 NE ARG A1005 25.168 36.314 2.807 1.00 24.26 N ATOM 292 CZ ARG A1005 24.334 35.297 3.035 1.00 26.01 C ATOM 293 NH1 ARG A1005 24.532 34.110 2.488 1.00 27.11 N ATOM 294 NH2 ARG A1005 23.329 35.456 3.832 1.00 26.28 N ATOM 295 HE ARG A1005 24.951 37.229 3.251 1.00 0.00 H ATOM 296 HH12 ARG A1005 23.869 33.332 2.680 1.00 0.00 H ATOM 297 HH11 ARG A1005 25.351 33.954 1.866 1.00 0.00 H ATOM 298 HH22 ARG A1005 22.678 34.665 4.012 1.00 0.00 H ATOM 299 HH21 ARG A1005 23.172 36.375 4.294 1.00 0.00 H ATOM 300 H ARG A1005 26.026 40.084 3.008 1.00 0.00 H ATOM 301 N PHE A1006 24.629 41.215 0.314 1.00 21.34 N ATOM 302 CA PHE A1006 23.595 41.701 -0.586 1.00 21.22 C ATOM 303 C PHE A1006 23.643 43.173 -0.849 1.00 21.85 C ATOM 304 O PHE A1006 22.721 43.756 -1.480 1.00 21.25 O ATOM 305 CB PHE A1006 22.215 41.286 -0.059 1.00 19.42 C ATOM 306 CG PHE A1006 22.088 39.795 0.226 1.00 20.26 C ATOM 307 CD1 PHE A1006 22.747 38.849 -0.553 1.00 20.84 C ATOM 308 CD2 PHE A1006 21.366 39.347 1.316 1.00 18.22 C ATOM 309 CE1 PHE A1006 22.646 37.513 -0.253 1.00 21.01 C ATOM 310 CE2 PHE A1006 21.250 38.008 1.591 1.00 18.84 C ATOM 311 CZ PHE A1006 21.911 37.094 0.828 1.00 20.11 C ATOM 312 H PHE A1006 24.526 41.376 1.336 1.00 0.00 H ATOM 313 N ARG A1007 24.720 43.815 -0.410 1.00 23.14 N ATOM 314 CA ARG A1007 24.865 45.245 -0.615 1.00 25.14 C ATOM 315 C ARG A1007 24.630 45.673 -2.046 1.00 24.22 C ATOM 316 O ARG A1007 23.964 46.707 -2.319 1.00 24.43 O ATOM 317 CB ARG A1007 26.230 45.720 -0.138 1.00 29.11 C ATOM 318 CG ARG A1007 26.440 47.195 -0.315 1.00 36.61 C ATOM 319 CD ARG A1007 27.865 47.540 0.094 1.00 46.10 C ATOM 320 NE ARG A1007 28.034 48.967 0.353 1.00 58.15 N ATOM 321 CZ ARG A1007 27.531 49.623 1.409 1.00 68.66 C ATOM 322 NH1 ARG A1007 26.792 49.002 2.331 1.00 72.15 N ATOM 323 NH2 ARG A1007 27.760 50.927 1.543 1.00 74.25 N ATOM 324 HE ARG A1007 28.587 49.517 -0.335 1.00 0.00 H ATOM 325 HH12 ARG A1007 26.414 49.535 3.140 1.00 0.00 H ATOM 326 HH11 ARG A1007 26.594 47.985 2.240 1.00 0.00 H ATOM 327 HH22 ARG A1007 27.373 51.442 2.360 1.00 0.00 H ATOM 328 HH21 ARG A1007 28.326 51.431 0.831 1.00 0.00 H ATOM 329 H ARG A1007 25.467 43.288 0.086 1.00 0.00 H ATOM 330 N VAL A1008 25.131 44.888 -2.981 1.00 24.05 N ATOM 331 CA VAL A1008 25.035 45.233 -4.391 1.00 25.58 C ATOM 332 C VAL A1008 23.552 45.301 -4.863 1.00 24.65 C ATOM 333 O VAL A1008 23.245 45.948 -5.869 1.00 24.34 O ATOM 334 CB VAL A1008 25.842 44.228 -5.240 1.00 27.25 C ATOM 335 CG1 VAL A1008 25.257 42.817 -5.180 1.00 26.96 C ATOM 336 CG2 VAL A1008 25.943 44.664 -6.664 1.00 31.36 C ATOM 337 H VAL A1008 25.604 44.004 -2.704 1.00 0.00 H ATOM 338 N PHE A1009 22.664 44.611 -4.153 1.00 22.43 N ATOM 339 CA PHE A1009 21.229 44.567 -4.525 1.00 21.77 C ATOM 340 C PHE A1009 20.406 45.618 -3.756 1.00 22.19 C ATOM 341 O PHE A1009 19.166 45.626 -3.866 1.00 21.01 O ATOM 342 CB PHE A1009 20.665 43.167 -4.256 1.00 21.53 C ATOM 343 CG PHE A1009 21.472 42.054 -4.888 1.00 21.37 C ATOM 344 CD1 PHE A1009 21.617 41.996 -6.270 1.00 23.82 C ATOM 345 CD2 PHE A1009 22.051 41.076 -4.109 1.00 22.54 C ATOM 346 CE1 PHE A1009 22.364 40.998 -6.863 1.00 24.71 C ATOM 347 CE2 PHE A1009 22.827 40.067 -4.682 1.00 22.96 C ATOM 348 CZ PHE A1009 22.973 40.019 -6.068 1.00 22.33 C ATOM 349 H PHE A1009 22.985 44.088 -3.313 1.00 0.00 H ATOM 350 N THR A1010 21.047 46.488 -2.976 1.00 22.23 N ATOM 351 CA THR A1010 20.264 47.351 -2.101 1.00 23.82 C ATOM 352 C THR A1010 19.746 48.632 -2.784 1.00 26.80 C ATOM 353 O THR A1010 18.828 49.275 -2.285 1.00 27.37 O ATOM 354 CB THR A1010 21.013 47.741 -0.842 1.00 23.80 C ATOM 355 OG1 THR A1010 22.242 48.389 -1.187 1.00 24.41 O ATOM 356 CG2 THR A1010 21.227 46.520 -0.026 1.00 23.83 C ATOM 357 HG1 THR A1010 22.801 47.771 -1.722 1.00 0.00 H ATOM 358 H THR A1010 22.085 46.550 -2.991 1.00 0.00 H ATOM 359 N LYS A1011 20.358 48.988 -3.893 1.00 27.78 N ATOM 360 CA LYS A1011 20.030 50.213 -4.573 1.00 30.80 C ATOM 361 C LYS A1011 20.049 49.922 -6.047 1.00 27.99 C ATOM 362 O LYS A1011 20.753 49.001 -6.496 1.00 25.64 O ATOM 363 CB LYS A1011 21.112 51.273 -4.303 1.00 35.74 C ATOM 364 CG LYS A1011 21.165 51.835 -2.891 1.00 44.07 C ATOM 365 CD LYS A1011 19.939 52.674 -2.504 1.00 50.06 C ATOM 366 CE LYS A1011 19.744 52.760 -0.975 1.00 54.27 C ATOM 367 NZ LYS A1011 18.417 53.349 -0.557 1.00 53.89 N ATOM 368 HZ1 LYS A1011 18.334 54.315 -0.932 1.00 0.00 H ATOM 369 HZ2 LYS A1011 17.645 52.762 -0.933 1.00 0.00 H ATOM 370 HZ3 LYS A1011 18.361 53.373 0.481 1.00 0.00 H ATOM 371 H LYS A1011 21.096 48.370 -4.287 1.00 0.00 H ATOM 372 N PRO A1012 19.343 50.747 -6.827 1.00 29.99 N ATOM 373 CA PRO A1012 19.449 50.632 -8.270 1.00 31.21 C ATOM 374 C PRO A1012 20.893 50.783 -8.755 1.00 35.23 C ATOM 375 O PRO A1012 21.707 51.386 -8.096 1.00 33.28 O ATOM 376 CB PRO A1012 18.605 51.801 -8.798 1.00 32.95 C ATOM 377 CG PRO A1012 17.779 52.267 -7.679 1.00 33.21 C ATOM 378 CD PRO A1012 18.507 51.890 -6.414 1.00 32.57 C ATOM 379 N VAL A1013 21.174 50.246 -9.924 1.00 40.72 N ATOM 380 CA VAL A1013 22.482 50.315 -10.516 1.00 44.83 C ATOM 381 C VAL A1013 22.763 51.755 -10.954 1.00 52.76 C ATOM 382 O VAL A1013 21.898 52.434 -11.519 1.00 57.09 O ATOM 383 CB VAL A1013 22.593 49.359 -11.726 1.00 43.75 C ATOM 384 CG1 VAL A1013 23.923 49.543 -12.441 1.00 45.52 C ATOM 385 CG2 VAL A1013 22.433 47.921 -11.280 1.00 41.22 C ATOM 386 H VAL A1013 20.419 49.752 -10.440 1.00 0.00 H ATOM 387 N ASP A1014 23.979 52.210 -10.677 1.00 59.96 N ATOM 388 CA ASP A1014 24.373 53.572 -11.006 1.00 67.14 C ATOM 389 C ASP A1014 24.727 53.593 -12.497 1.00 64.46 C ATOM 390 O ASP A1014 25.650 52.891 -12.912 1.00 64.11 O ATOM 391 CB ASP A1014 25.557 53.994 -10.131 1.00 71.86 C ATOM 392 CG ASP A1014 25.994 55.433 -10.371 1.00 78.99 C ATOM 393 OD1 ASP A1014 25.368 56.158 -11.177 1.00 79.89 O ATOM 394 OD2 ASP A1014 26.989 55.839 -9.743 1.00 83.30 O ATOM 395 H ASP A1014 24.665 51.580 -10.215 1.00 0.00 H ATOM 396 N PRO A1015 23.971 54.363 -13.307 1.00 65.44 N ATOM 397 CA PRO A1015 24.214 54.363 -14.752 1.00 69.37 C ATOM 398 C PRO A1015 25.591 54.910 -15.127 1.00 73.59 C ATOM 399 O PRO A1015 26.129 54.545 -16.174 1.00 75.82 O ATOM 400 CB PRO A1015 23.103 55.268 -15.303 1.00 71.49 C ATOM 401 CG PRO A1015 22.714 56.144 -14.164 1.00 69.68 C ATOM 402 CD PRO A1015 22.891 55.299 -12.933 1.00 67.37 C ATOM 403 N ASP A1016 26.158 55.769 -14.281 1.00 74.83 N ATOM 404 CA ASP A1016 27.546 56.213 -14.469 1.00 82.49 C ATOM 405 C ASP A1016 28.466 55.013 -14.376 1.00 79.54 C ATOM 406 O ASP A1016 29.286 54.778 -15.260 1.00 78.61 O ATOM 407 CB ASP A1016 27.961 57.251 -13.419 1.00 84.10 C ATOM 408 CG ASP A1016 27.049 58.466 -13.407 1.00 85.44 C ATOM 409 OD1 ASP A1016 26.709 58.976 -14.503 1.00 82.16 O ATOM 410 OD2 ASP A1016 26.664 58.892 -12.296 1.00 83.58 O ATOM 411 H ASP A1016 25.610 56.131 -13.475 1.00 0.00 H ATOM 412 N GLU A1017 28.295 54.232 -13.318 1.00 73.45 N ATOM 413 CA GLU A1017 29.140 53.077 -13.123 1.00 73.65 C ATOM 414 C GLU A1017 28.844 51.985 -14.145 1.00 70.21 C ATOM 415 O GLU A1017 29.775 51.386 -14.669 1.00 70.79 O ATOM 416 CB GLU A1017 28.997 52.545 -11.713 1.00 77.91 C ATOM 417 CG GLU A1017 29.293 53.588 -10.654 1.00 84.07 C ATOM 418 CD GLU A1017 29.105 53.038 -9.258 1.00 90.29 C ATOM 419 OE1 GLU A1017 29.111 51.798 -9.108 1.00 90.11 O ATOM 420 OE2 GLU A1017 28.952 53.839 -8.312 1.00 94.01 O ATOM 421 H GLU A1017 27.550 54.452 -12.626 1.00 0.00 H ATOM 422 N VAL A1018 27.565 51.735 -14.442 1.00 63.93 N ATOM 423 CA VAL A1018 27.191 50.678 -15.402 1.00 61.99 C ATOM 424 C VAL A1018 26.229 51.240 -16.453 1.00 60.16 C ATOM 425 O VAL A1018 25.015 51.147 -16.316 1.00 49.02 O ATOM 426 CB VAL A1018 26.536 49.456 -14.696 1.00 61.93 C ATOM 427 CG1 VAL A1018 26.626 48.211 -15.575 1.00 60.59 C ATOM 428 CG2 VAL A1018 27.185 49.198 -13.340 1.00 59.97 C ATOM 429 H VAL A1018 26.818 52.297 -13.987 1.00 0.00 H ATOM 430 N PRO A1019 26.776 51.827 -17.529 1.00 63.56 N ATOM 431 CA PRO A1019 25.929 52.610 -18.445 1.00 62.23 C ATOM 432 C PRO A1019 24.949 51.805 -19.298 1.00 57.63 C ATOM 433 O PRO A1019 23.860 52.295 -19.592 1.00 61.66 O ATOM 434 CB PRO A1019 26.958 53.320 -19.348 1.00 65.56 C ATOM 435 CG PRO A1019 28.146 52.404 -19.353 1.00 66.48 C ATOM 436 CD PRO A1019 28.170 51.707 -18.012 1.00 64.73 C ATOM 437 N ASP A1020 25.333 50.599 -19.695 1.00 54.88 N ATOM 438 CA ASP A1020 24.469 49.723 -20.511 1.00 55.49 C ATOM 439 C ASP A1020 23.459 48.901 -19.672 1.00 51.70 C ATOM 440 O ASP A1020 22.700 48.108 -20.220 1.00 52.87 O ATOM 441 CB ASP A1020 25.327 48.727 -21.292 1.00 58.42 C ATOM 442 CG ASP A1020 26.140 47.849 -20.380 1.00 62.68 C ATOM 443 OD1 ASP A1020 26.740 48.430 -19.445 1.00 71.67 O ATOM 444 OD2 ASP A1020 26.161 46.607 -20.568 1.00 62.65 O ATOM 445 H ASP A1020 26.277 50.258 -19.422 1.00 0.00 H ATOM 446 N TYR A1021 23.455 49.052 -18.354 1.00 46.69 N ATOM 447 CA TYR A1021 22.613 48.174 -17.565 1.00 42.55 C ATOM 448 C TYR A1021 21.135 48.351 -17.966 1.00 43.36 C ATOM 449 O TYR A1021 20.430 47.372 -18.288 1.00 40.52 O ATOM 450 CB TYR A1021 22.783 48.441 -16.073 1.00 41.05 C ATOM 451 CG TYR A1021 22.084 47.408 -15.234 1.00 36.62 C ATOM 452 CD1 TYR A1021 20.775 47.611 -14.774 1.00 35.81 C ATOM 453 CD2 TYR A1021 22.712 46.200 -14.925 1.00 34.38 C ATOM 454 CE1 TYR A1021 20.121 46.639 -13.999 1.00 33.41 C ATOM 455 CE2 TYR A1021 22.076 45.227 -14.154 1.00 31.70 C ATOM 456 CZ TYR A1021 20.778 45.449 -13.700 1.00 31.05 C ATOM 457 OH TYR A1021 20.139 44.498 -12.983 1.00 27.17 O ATOM 458 HH TYR A1021 20.652 44.308 -12.158 1.00 0.00 H ATOM 459 H TYR A1021 24.040 49.781 -17.899 1.00 0.00 H ATOM 460 N VAL A1022 20.700 49.612 -17.953 1.00 45.06 N ATOM 461 CA VAL A1022 19.309 49.981 -18.222 1.00 50.20 C ATOM 462 C VAL A1022 18.886 49.645 -19.683 1.00 50.78 C ATOM 463 O VAL A1022 17.702 49.579 -19.988 1.00 48.86 O ATOM 464 CB VAL A1022 19.059 51.467 -17.842 1.00 54.14 C ATOM 465 CG1 VAL A1022 19.744 52.404 -18.824 1.00 59.97 C ATOM 466 CG2 VAL A1022 17.577 51.780 -17.739 1.00 57.90 C ATOM 467 H VAL A1022 21.381 50.369 -17.742 1.00 0.00 H ATOM 468 N THR A1023 19.862 49.385 -20.550 1.00 52.49 N ATOM 469 CA THR A1023 19.625 48.819 -21.892 1.00 55.43 C ATOM 470 C THR A1023 19.474 47.290 -21.938 1.00 53.50 C ATOM 471 O THR A1023 18.656 46.753 -22.690 1.00 52.88 O ATOM 472 CB THR A1023 20.807 49.167 -22.799 1.00 58.82 C ATOM 473 OG1 THR A1023 20.928 50.590 -22.860 1.00 61.93 O ATOM 474 CG2 THR A1023 20.628 48.568 -24.191 1.00 62.87 C ATOM 475 HG1 THR A1023 21.690 50.830 -23.444 1.00 0.00 H ATOM 476 H THR A1023 20.841 49.591 -20.267 1.00 0.00 H ATOM 477 N VAL A1024 20.282 46.583 -21.158 1.00 47.96 N ATOM 478 CA VAL A1024 20.247 45.120 -21.185 1.00 45.14 C ATOM 479 C VAL A1024 19.119 44.569 -20.301 1.00 40.20 C ATOM 480 O VAL A1024 18.422 43.614 -20.651 1.00 41.48 O ATOM 481 CB VAL A1024 21.617 44.535 -20.731 1.00 46.49 C ATOM 482 CG1 VAL A1024 21.561 43.005 -20.654 1.00 47.01 C ATOM 483 CG2 VAL A1024 22.740 45.009 -21.649 1.00 49.99 C ATOM 484 H VAL A1024 20.945 47.072 -20.523 1.00 0.00 H ATOM 485 N ILE A1025 18.991 45.141 -19.112 1.00 35.62 N ATOM 486 CA ILE A1025 18.035 44.674 -18.158 1.00 31.66 C ATOM 487 C ILE A1025 16.783 45.548 -18.254 1.00 33.53 C ATOM 488 O ILE A1025 16.817 46.767 -17.947 1.00 33.54 O ATOM 489 CB ILE A1025 18.624 44.692 -16.739 1.00 30.61 C ATOM 490 CG1 ILE A1025 19.788 43.707 -16.687 1.00 30.19 C ATOM 491 CG2 ILE A1025 17.569 44.268 -15.760 1.00 27.93 C ATOM 492 CD1 ILE A1025 19.352 42.247 -16.823 1.00 30.23 C ATOM 493 H ILE A1025 19.600 45.948 -18.868 1.00 0.00 H ATOM 494 N LYS A1026 15.726 44.921 -18.737 1.00 33.15 N ATOM 495 CA LYS A1026 14.454 45.609 -19.033 1.00 33.97 C ATOM 496 C LYS A1026 13.610 45.961 -17.819 1.00 33.68 C ATOM 497 O LYS A1026 12.799 46.908 -17.868 1.00 33.72 O ATOM 498 CB LYS A1026 13.606 44.720 -19.936 1.00 35.50 C ATOM 499 CG LYS A1026 14.238 44.391 -21.281 1.00 37.67 C ATOM 500 CD LYS A1026 15.071 45.533 -21.846 1.00 40.43 C ATOM 501 CE LYS A1026 15.465 45.258 -23.280 1.00 41.37 C ATOM 502 NZ LYS A1026 16.269 46.377 -23.833 1.00 43.92 N ATOM 503 HZ1 LYS A1026 15.709 47.253 -23.802 1.00 0.00 H ATOM 504 HZ2 LYS A1026 17.132 46.495 -23.265 1.00 0.00 H ATOM 505 HZ3 LYS A1026 16.527 46.164 -24.818 1.00 0.00 H ATOM 506 H LYS A1026 15.793 43.899 -18.917 1.00 0.00 H ATOM 507 N GLN A1027 13.772 45.196 -16.738 1.00 31.21 N ATOM 508 CA GLN A1027 12.982 45.418 -15.556 1.00 31.04 C ATOM 509 C GLN A1027 13.878 45.383 -14.333 1.00 28.37 C ATOM 510 O GLN A1027 13.907 44.377 -13.639 1.00 26.05 O ATOM 511 CB GLN A1027 11.868 44.382 -15.472 1.00 33.04 C ATOM 512 CG GLN A1027 10.721 44.883 -14.692 1.00 35.51 C ATOM 513 CD GLN A1027 9.541 43.920 -14.678 1.00 37.80 C ATOM 514 OE1 GLN A1027 9.522 42.823 -15.323 1.00 36.34 O ATOM 515 NE2 GLN A1027 8.566 44.312 -13.911 1.00 40.42 N ATOM 516 HE22 GLN A1027 8.634 45.219 -13.406 1.00 0.00 H ATOM 517 HE21 GLN A1027 7.719 43.719 -13.803 1.00 0.00 H ATOM 518 H GLN A1027 14.477 44.431 -16.750 1.00 0.00 H ATOM 519 N PRO A1028 14.660 46.455 -14.126 1.00 27.32 N ATOM 520 CA PRO A1028 15.576 46.530 -12.982 1.00 25.88 C ATOM 521 C PRO A1028 14.829 46.380 -11.681 1.00 24.25 C ATOM 522 O PRO A1028 13.665 46.824 -11.585 1.00 22.92 O ATOM 523 CB PRO A1028 16.168 47.938 -13.101 1.00 28.38 C ATOM 524 CG PRO A1028 15.879 48.407 -14.492 1.00 29.01 C ATOM 525 CD PRO A1028 14.677 47.668 -14.953 1.00 28.37 C ATOM 526 N MET A1029 15.422 45.714 -10.689 1.00 21.89 N ATOM 527 CA MET A1029 14.778 45.653 -9.396 1.00 22.23 C ATOM 528 C MET A1029 15.867 45.630 -8.346 1.00 21.32 C ATOM 529 O MET A1029 16.928 45.099 -8.596 1.00 21.07 O ATOM 530 CB MET A1029 13.869 44.420 -9.316 1.00 21.59 C ATOM 531 CG MET A1029 12.952 44.367 -8.087 1.00 21.21 C ATOM 532 SD MET A1029 11.945 45.826 -7.720 1.00 22.65 S ATOM 533 CE MET A1029 11.079 45.929 -9.277 1.00 23.99 C ATOM 534 H MET A1029 16.337 45.244 -10.844 1.00 0.00 H ATOM 535 N ASP A1030 15.563 46.152 -7.168 1.00 21.19 N ATOM 536 CA ASP A1030 16.539 46.170 -6.092 1.00 20.65 C ATOM 537 C ASP A1030 15.737 46.312 -4.824 1.00 21.08 C ATOM 538 O ASP A1030 14.508 46.593 -4.858 1.00 19.97 O ATOM 539 CB ASP A1030 17.504 47.339 -6.283 1.00 23.67 C ATOM 540 CG ASP A1030 16.821 48.661 -6.111 1.00 25.60 C ATOM 541 OD1 ASP A1030 16.233 49.162 -7.085 1.00 29.67 O ATOM 542 OD2 ASP A1030 16.753 49.135 -4.975 1.00 25.74 O ATOM 543 H ASP A1030 14.616 46.553 -7.011 1.00 0.00 H ATOM 544 N LEU A1031 16.393 46.099 -3.713 1.00 18.50 N ATOM 545 CA LEU A1031 15.709 46.098 -2.426 1.00 19.04 C ATOM 546 C LEU A1031 15.146 47.476 -1.984 1.00 19.98 C ATOM 547 O LEU A1031 14.149 47.490 -1.239 1.00 20.66 O ATOM 548 CB LEU A1031 16.561 45.502 -1.329 1.00 17.94 C ATOM 549 CG LEU A1031 17.113 44.088 -1.545 1.00 19.55 C ATOM 550 CD1 LEU A1031 18.143 43.744 -0.483 1.00 20.42 C ATOM 551 CD2 LEU A1031 15.961 43.083 -1.564 1.00 19.36 C ATOM 552 H LEU A1031 17.418 45.928 -3.748 1.00 0.00 H ATOM 553 N SER A1032 15.743 48.599 -2.404 1.00 21.51 N ATOM 554 CA SER A1032 15.153 49.907 -2.069 1.00 21.95 C ATOM 555 C SER A1032 13.838 50.079 -2.826 1.00 21.27 C ATOM 556 O SER A1032 12.879 50.556 -2.284 1.00 20.39 O ATOM 557 CB SER A1032 16.105 51.081 -2.347 1.00 23.98 C ATOM 558 OG SER A1032 17.318 50.946 -1.613 1.00 24.28 O ATOM 559 HG SER A1032 17.769 50.104 -1.875 1.00 0.00 H ATOM 560 H SER A1032 16.618 48.548 -2.964 1.00 0.00 H ATOM 561 N SER A1033 13.825 49.677 -4.071 1.00 21.48 N ATOM 562 CA SER A1033 12.615 49.721 -4.860 1.00 22.06 C ATOM 563 C SER A1033 11.562 48.778 -4.299 1.00 20.62 C ATOM 564 O SER A1033 10.371 49.096 -4.366 1.00 20.03 O ATOM 565 CB SER A1033 12.903 49.339 -6.309 1.00 23.19 C ATOM 566 OG SER A1033 13.780 50.297 -6.868 1.00 25.76 O ATOM 567 HG SER A1033 14.624 50.312 -6.351 1.00 0.00 H ATOM 568 H SER A1033 14.702 49.319 -4.501 1.00 0.00 H ATOM 569 N VAL A1034 11.990 47.609 -3.831 1.00 18.81 N ATOM 570 CA VAL A1034 11.067 46.696 -3.145 1.00 17.86 C ATOM 571 C VAL A1034 10.387 47.402 -1.975 1.00 18.88 C ATOM 572 O VAL A1034 9.140 47.335 -1.818 1.00 18.22 O ATOM 573 CB VAL A1034 11.716 45.362 -2.736 1.00 17.87 C ATOM 574 CG1 VAL A1034 10.858 44.537 -1.768 1.00 17.95 C ATOM 575 CG2 VAL A1034 11.959 44.505 -3.932 1.00 17.61 C ATOM 576 H VAL A1034 12.987 47.339 -3.952 1.00 0.00 H ATOM 577 N ILE A1035 11.153 48.068 -1.139 1.00 19.17 N ATOM 578 CA ILE A1035 10.558 48.799 -0.016 1.00 19.81 C ATOM 579 C ILE A1035 9.579 49.874 -0.516 1.00 20.06 C ATOM 580 O ILE A1035 8.488 50.022 0.039 1.00 20.14 O ATOM 581 CB ILE A1035 11.646 49.519 0.835 1.00 22.82 C ATOM 582 CG1 ILE A1035 12.483 48.525 1.616 1.00 24.92 C ATOM 583 CG2 ILE A1035 11.029 50.500 1.839 1.00 22.82 C ATOM 584 CD1 ILE A1035 11.739 47.850 2.769 1.00 27.29 C ATOM 585 H ILE A1035 12.184 48.076 -1.275 1.00 0.00 H ATOM 586 N SER A1036 9.940 50.633 -1.550 1.00 20.29 N ATOM 587 CA SER A1036 9.021 51.654 -2.108 1.00 21.00 C ATOM 588 C SER A1036 7.702 51.008 -2.547 1.00 20.19 C ATOM 589 O SER A1036 6.628 51.537 -2.292 1.00 19.87 O ATOM 590 CB SER A1036 9.667 52.350 -3.315 1.00 22.84 C ATOM 591 OG SER A1036 10.757 53.095 -2.834 1.00 26.39 O ATOM 592 HG SER A1036 11.198 53.558 -3.590 1.00 0.00 H ATOM 593 H SER A1036 10.882 50.507 -1.973 1.00 0.00 H ATOM 594 N LYS A1037 7.802 49.822 -3.165 1.00 19.60 N ATOM 595 CA LYS A1037 6.623 49.120 -3.641 1.00 19.30 C ATOM 596 C LYS A1037 5.751 48.589 -2.484 1.00 18.22 C ATOM 597 O LYS A1037 4.552 48.695 -2.542 1.00 18.18 O ATOM 598 CB LYS A1037 7.010 48.010 -4.587 1.00 19.76 C ATOM 599 CG LYS A1037 7.459 48.528 -5.931 1.00 20.92 C ATOM 600 CD LYS A1037 7.760 47.402 -6.928 1.00 22.46 C ATOM 601 CE LYS A1037 6.479 46.728 -7.423 1.00 23.60 C ATOM 602 NZ LYS A1037 6.755 45.743 -8.479 1.00 24.09 N ATOM 603 HZ1 LYS A1037 7.208 46.219 -9.285 1.00 0.00 H ATOM 604 HZ2 LYS A1037 7.390 45.008 -8.108 1.00 0.00 H ATOM 605 HZ3 LYS A1037 5.862 45.308 -8.788 1.00 0.00 H ATOM 606 H LYS A1037 8.741 49.397 -3.306 1.00 0.00 H ATOM 607 N ILE A1038 6.377 48.099 -1.422 1.00 17.15 N ATOM 608 CA ILE A1038 5.622 47.708 -0.250 1.00 17.91 C ATOM 609 C ILE A1038 4.787 48.907 0.207 1.00 19.15 C ATOM 610 O ILE A1038 3.573 48.805 0.421 1.00 19.26 O ATOM 611 CB ILE A1038 6.540 47.277 0.889 1.00 17.34 C ATOM 612 CG1 ILE A1038 7.258 45.986 0.490 1.00 17.03 C ATOM 613 CG2 ILE A1038 5.714 47.129 2.182 1.00 17.82 C ATOM 614 CD1 ILE A1038 8.346 45.538 1.422 1.00 16.99 C ATOM 615 H ILE A1038 7.412 47.996 -1.431 1.00 0.00 H ATOM 616 N ASP A1039 5.470 50.038 0.351 1.00 19.67 N ATOM 617 CA ASP A1039 4.855 51.258 0.832 1.00 21.48 C ATOM 618 C ASP A1039 3.785 51.821 -0.069 1.00 22.74 C ATOM 619 O ASP A1039 2.861 52.460 0.410 1.00 23.19 O ATOM 620 CB ASP A1039 5.918 52.298 1.155 1.00 23.57 C ATOM 621 CG ASP A1039 6.826 51.905 2.337 1.00 24.47 C ATOM 622 OD1 ASP A1039 6.512 50.938 3.073 1.00 25.73 O ATOM 623 OD2 ASP A1039 7.861 52.607 2.516 1.00 24.74 O ATOM 624 H ASP A1039 6.482 50.047 0.110 1.00 0.00 H ATOM 625 N LEU A1040 3.872 51.548 -1.368 1.00 21.79 N ATOM 626 CA LEU A1040 2.884 51.972 -2.325 1.00 22.03 C ATOM 627 C LEU A1040 1.743 50.968 -2.377 1.00 24.09 C ATOM 628 O LEU A1040 0.854 51.138 -3.179 1.00 24.19 O ATOM 629 CB LEU A1040 3.506 52.111 -3.707 1.00 23.08 C ATOM 630 CG LEU A1040 4.412 53.354 -3.907 1.00 24.04 C ATOM 631 CD1 LEU A1040 5.254 53.201 -5.142 1.00 23.77 C ATOM 632 CD2 LEU A1040 3.600 54.645 -3.914 1.00 25.97 C ATOM 633 H LEU A1040 4.691 51.004 -1.707 1.00 0.00 H ATOM 634 N HIS A1041 1.721 49.953 -1.501 1.00 21.28 N ATOM 635 CA HIS A1041 0.630 48.927 -1.526 1.00 21.72 C ATOM 636 C HIS A1041 0.579 48.103 -2.826 1.00 22.68 C ATOM 637 O HIS A1041 -0.465 47.657 -3.261 1.00 23.31 O ATOM 638 CB HIS A1041 -0.744 49.544 -1.192 1.00 24.22 C ATOM 639 CG HIS A1041 -0.790 50.228 0.127 1.00 23.36 C ATOM 640 ND1 HIS A1041 -1.961 50.602 0.735 1.00 27.50 N ATOM 641 CD2 HIS A1041 0.195 50.594 0.971 1.00 23.97 C ATOM 642 CE1 HIS A1041 -1.694 51.196 1.877 1.00 25.02 C ATOM 643 NE2 HIS A1041 -0.388 51.211 2.040 1.00 26.54 N ATOM 644 H HIS A1041 2.476 49.877 -0.790 1.00 0.00 H ATOM 645 N LYS A1042 1.714 47.845 -3.414 1.00 21.39 N ATOM 646 CA LYS A1042 1.751 47.160 -4.668 1.00 23.58 C ATOM 647 C LYS A1042 1.788 45.653 -4.440 1.00 22.38 C ATOM 648 O LYS A1042 1.602 44.917 -5.384 1.00 22.03 O ATOM 649 CB LYS A1042 2.991 47.527 -5.481 1.00 26.59 C ATOM 650 CG LYS A1042 3.194 48.979 -5.815 1.00 30.22 C ATOM 651 CD LYS A1042 2.294 49.401 -6.918 1.00 35.97 C ATOM 652 CE LYS A1042 2.919 50.524 -7.735 1.00 40.86 C ATOM 653 NZ LYS A1042 1.819 51.042 -8.580 1.00 45.25 N ATOM 654 HZ1 LYS A1042 1.461 50.278 -9.188 1.00 0.00 H ATOM 655 HZ2 LYS A1042 1.051 51.391 -7.972 1.00 0.00 H ATOM 656 HZ3 LYS A1042 2.175 51.820 -9.172 1.00 0.00 H ATOM 657 H LYS A1042 2.604 48.141 -2.965 1.00 0.00 H ATOM 658 N TYR A1043 2.102 45.183 -3.232 1.00 21.17 N ATOM 659 CA TYR A1043 2.132 43.727 -3.006 1.00 20.02 C ATOM 660 C TYR A1043 0.915 43.390 -2.145 1.00 21.14 C ATOM 661 O TYR A1043 0.817 43.890 -1.026 1.00 22.40 O ATOM 662 CB TYR A1043 3.378 43.277 -2.259 1.00 18.37 C ATOM 663 CG TYR A1043 4.683 43.607 -2.955 1.00 18.15 C ATOM 664 CD1 TYR A1043 4.947 43.155 -4.242 1.00 18.87 C ATOM 665 CD2 TYR A1043 5.641 44.418 -2.345 1.00 17.17 C ATOM 666 CE1 TYR A1043 6.165 43.477 -4.894 1.00 18.39 C ATOM 667 CE2 TYR A1043 6.857 44.732 -2.961 1.00 18.21 C ATOM 668 CZ TYR A1043 7.130 44.271 -4.221 1.00 18.13 C ATOM 669 OH TYR A1043 8.326 44.597 -4.853 1.00 19.19 O ATOM 670 HH TYR A1043 8.349 44.179 -5.750 1.00 0.00 H ATOM 671 H TYR A1043 2.324 45.839 -2.456 1.00 0.00 H ATOM 672 N LEU A1044 -0.011 42.605 -2.669 1.00 19.56 N ATOM 673 CA LEU A1044 -1.121 42.101 -1.870 1.00 21.36 C ATOM 674 C LEU A1044 -0.934 40.662 -1.387 1.00 21.07 C ATOM 675 O LEU A1044 -1.776 40.134 -0.654 1.00 20.49 O ATOM 676 CB LEU A1044 -2.413 42.192 -2.670 1.00 25.32 C ATOM 677 CG LEU A1044 -2.826 43.583 -3.158 1.00 28.68 C ATOM 678 CD1 LEU A1044 -4.281 43.535 -3.600 1.00 31.26 C ATOM 679 CD2 LEU A1044 -2.658 44.632 -2.120 1.00 30.68 C ATOM 680 H LEU A1044 0.054 42.341 -3.673 1.00 0.00 H ATOM 681 N THR A1045 0.163 40.040 -1.815 1.00 20.26 N ATOM 682 CA THR A1045 0.476 38.680 -1.406 1.00 19.71 C ATOM 683 C THR A1045 1.993 38.511 -1.308 1.00 18.77 C ATOM 684 O THR A1045 2.771 39.272 -1.901 1.00 18.70 O ATOM 685 CB THR A1045 -0.042 37.597 -2.375 1.00 21.28 C ATOM 686 OG1 THR A1045 0.716 37.583 -3.598 1.00 21.38 O ATOM 687 CG2 THR A1045 -1.520 37.687 -2.687 1.00 22.33 C ATOM 688 HG1 THR A1045 0.361 36.880 -4.197 1.00 0.00 H ATOM 689 H THR A1045 0.811 40.539 -2.457 1.00 0.00 H ATOM 690 N VAL A1046 2.425 37.481 -0.571 1.00 19.04 N ATOM 691 CA VAL A1046 3.849 37.118 -0.548 1.00 19.81 C ATOM 692 C VAL A1046 4.323 36.631 -1.885 1.00 20.19 C ATOM 693 O VAL A1046 5.481 36.860 -2.263 1.00 19.21 O ATOM 694 CB VAL A1046 4.212 36.166 0.598 1.00 20.42 C ATOM 695 CG1 VAL A1046 5.725 36.087 0.737 1.00 20.72 C ATOM 696 CG2 VAL A1046 3.679 36.773 1.904 1.00 21.89 C ATOM 697 H VAL A1046 1.745 36.931 -0.008 1.00 0.00 H ATOM 698 N LYS A1047 3.466 35.922 -2.619 1.00 22.16 N ATOM 699 CA LYS A1047 3.803 35.544 -3.997 1.00 24.26 C ATOM 700 C LYS A1047 4.210 36.708 -4.907 1.00 24.11 C ATOM 701 O LYS A1047 5.165 36.596 -5.680 1.00 22.93 O ATOM 702 CB LYS A1047 2.662 34.751 -4.644 1.00 29.83 C ATOM 703 CG LYS A1047 2.725 33.296 -4.245 1.00 36.07 C ATOM 704 CD LYS A1047 1.684 32.436 -4.946 1.00 42.87 C ATOM 705 CE LYS A1047 1.867 30.967 -4.548 1.00 47.32 C ATOM 706 NZ LYS A1047 1.617 30.701 -3.092 1.00 49.11 N ATOM 707 HZ1 LYS A1047 2.279 31.262 -2.520 1.00 0.00 H ATOM 708 HZ2 LYS A1047 0.640 30.967 -2.855 1.00 0.00 H ATOM 709 HZ3 LYS A1047 1.759 29.690 -2.896 1.00 0.00 H ATOM 710 H LYS A1047 2.553 35.635 -2.213 1.00 0.00 H ATOM 711 N ASP A1048 3.486 37.811 -4.830 1.00 22.91 N ATOM 712 CA ASP A1048 3.775 38.975 -5.640 1.00 23.36 C ATOM 713 C ASP A1048 5.152 39.554 -5.214 1.00 22.51 C ATOM 714 O ASP A1048 5.932 39.990 -6.050 1.00 20.35 O ATOM 715 CB ASP A1048 2.723 40.090 -5.422 1.00 26.32 C ATOM 716 CG ASP A1048 1.348 39.800 -6.062 1.00 30.12 C ATOM 717 OD1 ASP A1048 1.253 38.924 -6.918 1.00 31.11 O ATOM 718 OD2 ASP A1048 0.418 40.550 -5.653 1.00 40.74 O ATOM 719 H ASP A1048 2.685 37.843 -4.168 1.00 0.00 H ATOM 720 N TYR A1049 5.400 39.616 -3.899 1.00 18.43 N ATOM 721 CA TYR A1049 6.702 40.039 -3.393 1.00 17.87 C ATOM 722 C TYR A1049 7.846 39.156 -3.915 1.00 18.09 C ATOM 723 O TYR A1049 8.884 39.646 -4.413 1.00 18.41 O ATOM 724 CB TYR A1049 6.666 40.021 -1.857 1.00 16.83 C ATOM 725 CG TYR A1049 7.978 40.218 -1.151 1.00 16.66 C ATOM 726 CD1 TYR A1049 8.448 41.515 -0.861 1.00 17.02 C ATOM 727 CD2 TYR A1049 8.754 39.124 -0.731 1.00 16.75 C ATOM 728 CE1 TYR A1049 9.630 41.689 -0.208 1.00 16.55 C ATOM 729 CE2 TYR A1049 9.904 39.307 0.006 1.00 16.65 C ATOM 730 CZ TYR A1049 10.375 40.584 0.204 1.00 17.23 C ATOM 731 OH TYR A1049 11.526 40.803 0.918 1.00 16.59 O ATOM 732 HH TYR A1049 11.709 41.775 0.957 1.00 0.00 H ATOM 733 H TYR A1049 4.650 39.358 -3.226 1.00 0.00 H ATOM 734 N LEU A1050 7.670 37.849 -3.777 1.00 18.32 N ATOM 735 CA LEU A1050 8.662 36.896 -4.258 1.00 19.71 C ATOM 736 C LEU A1050 8.973 36.977 -5.750 1.00 21.16 C ATOM 737 O LEU A1050 10.123 36.682 -6.140 1.00 21.33 O ATOM 738 CB LEU A1050 8.347 35.478 -3.850 1.00 19.97 C ATOM 739 CG LEU A1050 8.570 35.254 -2.353 1.00 20.77 C ATOM 740 CD1 LEU A1050 8.026 33.898 -1.969 1.00 22.23 C ATOM 741 CD2 LEU A1050 10.032 35.340 -1.927 1.00 22.84 C ATOM 742 H LEU A1050 6.807 37.497 -3.316 1.00 0.00 H ATOM 743 N ARG A1051 8.029 37.422 -6.561 1.00 22.31 N ATOM 744 CA ARG A1051 8.291 37.608 -7.979 1.00 23.27 C ATOM 745 C ARG A1051 9.352 38.701 -8.180 1.00 21.55 C ATOM 746 O ARG A1051 10.195 38.590 -9.082 1.00 19.85 O ATOM 747 CB ARG A1051 6.998 37.947 -8.738 1.00 25.94 C ATOM 748 CG ARG A1051 5.954 36.838 -8.701 1.00 29.18 C ATOM 749 CD ARG A1051 4.657 37.255 -9.411 1.00 33.34 C ATOM 750 NE ARG A1051 4.915 38.317 -10.381 1.00 36.28 N ATOM 751 CZ ARG A1051 4.334 39.511 -10.358 1.00 39.44 C ATOM 752 NH1 ARG A1051 3.385 39.788 -9.468 1.00 38.04 N ATOM 753 NH2 ARG A1051 4.675 40.415 -11.270 1.00 44.20 N ATOM 754 HE ARG A1051 5.599 38.125 -11.140 1.00 0.00 H ATOM 755 HH12 ARG A1051 2.938 40.727 -9.460 1.00 0.00 H ATOM 756 HH11 ARG A1051 3.090 39.066 -8.780 1.00 0.00 H ATOM 757 HH22 ARG A1051 4.228 41.354 -11.264 1.00 0.00 H ATOM 758 HH21 ARG A1051 5.389 40.184 -11.990 1.00 0.00 H ATOM 759 H ARG A1051 7.087 37.642 -6.180 1.00 0.00 H ATOM 760 N ASP A1052 9.307 39.736 -7.338 1.00 19.30 N ATOM 761 CA ASP A1052 10.308 40.821 -7.392 1.00 18.15 C ATOM 762 C ASP A1052 11.686 40.367 -6.834 1.00 18.03 C ATOM 763 O ASP A1052 12.744 40.743 -7.400 1.00 17.63 O ATOM 764 CB ASP A1052 9.821 42.123 -6.780 1.00 18.11 C ATOM 765 CG ASP A1052 8.956 42.940 -7.727 1.00 20.52 C ATOM 766 OD1 ASP A1052 9.018 42.653 -8.964 1.00 21.17 O ATOM 767 OD2 ASP A1052 8.323 43.916 -7.239 1.00 21.06 O ATOM 768 H ASP A1052 8.549 39.779 -6.627 1.00 0.00 H ATOM 769 N ILE A1053 11.690 39.577 -5.764 1.00 18.10 N ATOM 770 CA ILE A1053 12.947 38.941 -5.274 1.00 19.39 C ATOM 771 C ILE A1053 13.542 38.052 -6.378 1.00 19.43 C ATOM 772 O ILE A1053 14.786 38.114 -6.689 1.00 19.26 O ATOM 773 CB ILE A1053 12.689 38.124 -4.012 1.00 19.23 C ATOM 774 CG1 ILE A1053 12.196 39.011 -2.841 1.00 19.18 C ATOM 775 CG2 ILE A1053 13.924 37.324 -3.603 1.00 20.70 C ATOM 776 CD1 ILE A1053 13.076 40.218 -2.522 1.00 20.28 C ATOM 777 H ILE A1053 10.799 39.399 -5.259 1.00 0.00 H ATOM 778 N ASP A1054 12.689 37.241 -7.003 1.00 20.06 N ATOM 779 CA ASP A1054 13.100 36.412 -8.114 1.00 20.95 C ATOM 780 C ASP A1054 13.711 37.230 -9.237 1.00 22.16 C ATOM 781 O ASP A1054 14.654 36.763 -9.876 1.00 20.26 O ATOM 782 CB ASP A1054 11.948 35.613 -8.719 1.00 23.38 C ATOM 783 CG ASP A1054 11.515 34.420 -7.854 1.00 27.63 C ATOM 784 OD1 ASP A1054 12.252 33.961 -7.016 1.00 30.16 O ATOM 785 OD2 ASP A1054 10.412 33.919 -8.072 1.00 32.94 O ATOM 786 H ASP A1054 11.700 37.203 -6.683 1.00 0.00 H ATOM 787 N LEU A1055 13.118 38.385 -9.511 1.00 20.34 N ATOM 788 CA LEU A1055 13.569 39.273 -10.550 1.00 22.31 C ATOM 789 C LEU A1055 14.968 39.858 -10.221 1.00 22.25 C ATOM 790 O LEU A1055 15.820 39.965 -11.083 1.00 20.84 O ATOM 791 CB LEU A1055 12.580 40.386 -10.671 1.00 23.66 C ATOM 792 CG LEU A1055 12.716 41.380 -11.793 1.00 25.19 C ATOM 793 CD1 LEU A1055 12.858 40.677 -13.150 1.00 25.87 C ATOM 794 CD2 LEU A1055 11.477 42.291 -11.708 1.00 24.96 C ATOM 795 H LEU A1055 12.288 38.662 -8.948 1.00 0.00 H ATOM 796 N ILE A1056 15.186 40.246 -8.978 1.00 19.58 N ATOM 797 CA ILE A1056 16.508 40.737 -8.569 1.00 20.38 C ATOM 798 C ILE A1056 17.534 39.646 -8.903 1.00 19.48 C ATOM 799 O ILE A1056 18.614 39.890 -9.526 1.00 21.12 O ATOM 800 CB ILE A1056 16.525 41.053 -7.048 1.00 20.40 C ATOM 801 CG1 ILE A1056 15.686 42.270 -6.741 1.00 19.63 C ATOM 802 CG2 ILE A1056 17.966 41.304 -6.601 1.00 21.61 C ATOM 803 CD1 ILE A1056 15.604 42.598 -5.261 1.00 19.02 C ATOM 804 H ILE A1056 14.414 40.203 -8.282 1.00 0.00 H ATOM 805 N CYS A1057 17.179 38.419 -8.577 1.00 19.67 N ATOM 806 CA CYS A1057 18.064 37.272 -8.852 1.00 21.65 C ATOM 807 C CYS A1057 18.242 36.995 -10.345 1.00 23.43 C ATOM 808 O CYS A1057 19.393 36.852 -10.820 1.00 24.18 O ATOM 809 CB CYS A1057 17.616 36.035 -8.114 1.00 20.87 C ATOM 810 SG CYS A1057 18.655 34.564 -8.309 1.00 26.27 S ATOM 811 H CYS A1057 16.260 38.257 -8.118 1.00 0.00 H ATOM 812 N SER A1058 17.144 36.885 -11.091 1.00 22.32 N ATOM 813 CA SER A1058 17.291 36.519 -12.499 1.00 22.98 C ATOM 814 C SER A1058 18.017 37.634 -13.281 1.00 24.00 C ATOM 815 O SER A1058 18.876 37.363 -14.146 1.00 23.90 O ATOM 816 CB SER A1058 15.945 36.135 -13.086 1.00 25.10 C ATOM 817 OG SER A1058 15.047 37.198 -12.942 1.00 27.49 O ATOM 818 HG SER A1058 14.171 36.943 -13.326 1.00 0.00 H ATOM 819 H SER A1058 16.203 37.056 -10.681 1.00 0.00 H ATOM 820 N ASN A1059 17.768 38.902 -12.945 1.00 21.99 N ATOM 821 CA ASN A1059 18.478 39.982 -13.562 1.00 22.53 C ATOM 822 C ASN A1059 20.008 39.796 -13.362 1.00 22.98 C ATOM 823 O ASN A1059 20.784 39.981 -14.274 1.00 24.02 O ATOM 824 CB ASN A1059 18.033 41.359 -13.011 1.00 23.56 C ATOM 825 CG ASN A1059 16.658 41.763 -13.474 1.00 23.77 C ATOM 826 OD1 ASN A1059 16.118 41.217 -14.454 1.00 24.59 O ATOM 827 ND2 ASN A1059 16.115 42.761 -12.832 1.00 23.16 N ATOM 828 HD22 ASN A1059 16.605 43.184 -12.018 1.00 0.00 H ATOM 829 HD21 ASN A1059 15.192 43.133 -13.134 1.00 0.00 H ATOM 830 H ASN A1059 17.047 39.109 -12.224 1.00 0.00 H ATOM 831 N ALA A1060 20.434 39.437 -12.151 1.00 22.19 N ATOM 832 CA ALA A1060 21.842 39.278 -11.878 1.00 23.14 C ATOM 833 C ALA A1060 22.415 38.109 -12.655 1.00 23.09 C ATOM 834 O ALA A1060 23.540 38.188 -13.091 1.00 25.97 O ATOM 835 CB ALA A1060 22.102 39.103 -10.358 1.00 20.68 C ATOM 836 H ALA A1060 19.742 39.269 -11.393 1.00 0.00 H ATOM 837 N LEU A1061 21.658 37.023 -12.796 1.00 25.20 N ATOM 838 CA LEU A1061 22.130 35.845 -13.544 1.00 28.34 C ATOM 839 C LEU A1061 22.256 36.173 -15.022 1.00 29.21 C ATOM 840 O LEU A1061 23.271 35.786 -15.663 1.00 29.55 O ATOM 841 CB LEU A1061 21.219 34.657 -13.368 1.00 29.50 C ATOM 842 CG LEU A1061 20.918 34.151 -11.969 1.00 31.65 C ATOM 843 CD1 LEU A1061 20.410 32.718 -12.071 1.00 34.06 C ATOM 844 CD2 LEU A1061 22.054 34.243 -10.970 1.00 32.01 C ATOM 845 H LEU A1061 20.710 37.006 -12.368 1.00 0.00 H ATOM 846 N GLU A1062 21.303 36.964 -15.522 1.00 29.42 N ATOM 847 CA GLU A1062 21.296 37.411 -16.945 1.00 30.25 C ATOM 848 C GLU A1062 22.398 38.413 -17.242 1.00 29.99 C ATOM 849 O GLU A1062 23.109 38.297 -18.237 1.00 30.42 O ATOM 850 CB GLU A1062 19.940 38.037 -17.377 1.00 30.82 C ATOM 851 CG GLU A1062 19.970 38.670 -18.783 1.00 31.42 C ATOM 852 CD GLU A1062 18.677 39.381 -19.210 1.00 32.90 C ATOM 853 OE1 GLU A1062 17.748 39.560 -18.385 1.00 30.61 O ATOM 854 OE2 GLU A1062 18.620 39.792 -20.387 1.00 33.66 O ATOM 855 H GLU A1062 20.536 37.281 -14.895 1.00 0.00 H ATOM 856 N TYR A1063 22.541 39.432 -16.413 1.00 27.91 N ATOM 857 CA TYR A1063 23.518 40.460 -16.688 1.00 29.07 C ATOM 858 C TYR A1063 24.973 40.035 -16.447 1.00 28.01 C ATOM 859 O TYR A1063 25.842 40.610 -17.051 1.00 29.73 O ATOM 860 CB TYR A1063 23.250 41.754 -15.910 1.00 30.24 C ATOM 861 CG TYR A1063 24.089 42.927 -16.359 1.00 33.83 C ATOM 862 CD1 TYR A1063 23.817 43.595 -17.568 1.00 37.64 C ATOM 863 CD2 TYR A1063 25.192 43.347 -15.616 1.00 37.20 C ATOM 864 CE1 TYR A1063 24.606 44.664 -17.981 1.00 39.34 C ATOM 865 CE2 TYR A1063 25.982 44.399 -16.026 1.00 39.94 C ATOM 866 CZ TYR A1063 25.678 45.061 -17.201 1.00 43.03 C ATOM 867 OH TYR A1063 26.468 46.107 -17.603 1.00 50.69 O ATOM 868 HH TYR A1063 26.122 46.472 -18.456 1.00 0.00 H ATOM 869 H TYR A1063 21.949 39.494 -15.560 1.00 0.00 H ATOM 870 N ASN A1064 25.219 39.050 -15.583 1.00 27.05 N ATOM 871 CA ASN A1064 26.568 38.628 -15.236 1.00 27.48 C ATOM 872 C ASN A1064 26.715 37.115 -15.470 1.00 27.55 C ATOM 873 O ASN A1064 26.778 36.345 -14.517 1.00 27.68 O ATOM 874 CB ASN A1064 26.877 38.969 -13.753 1.00 28.62 C ATOM 875 CG ASN A1064 26.465 40.400 -13.361 1.00 28.03 C ATOM 876 OD1 ASN A1064 27.218 41.358 -13.514 1.00 29.32 O ATOM 877 ND2 ASN A1064 25.259 40.534 -12.855 1.00 27.58 N ATOM 878 HD22 ASN A1064 24.648 39.700 -12.740 1.00 0.00 H ATOM 879 HD21 ASN A1064 24.916 41.474 -12.570 1.00 0.00 H ATOM 880 H ASN A1064 24.414 38.563 -15.139 1.00 0.00 H ATOM 881 N PRO A1065 26.730 36.671 -16.738 1.00 28.69 N ATOM 882 CA PRO A1065 26.624 35.247 -17.020 1.00 28.90 C ATOM 883 C PRO A1065 27.998 34.580 -17.214 1.00 30.23 C ATOM 884 O PRO A1065 28.050 33.386 -17.472 1.00 33.96 O ATOM 885 CB PRO A1065 25.896 35.238 -18.359 1.00 28.96 C ATOM 886 CG PRO A1065 26.502 36.409 -19.066 1.00 30.95 C ATOM 887 CD PRO A1065 26.751 37.458 -17.996 1.00 31.03 C ATOM 888 N ASP A1066 29.075 35.317 -17.069 1.00 29.87 N ATOM 889 CA ASP A1066 30.417 34.799 -17.493 1.00 32.12 C ATOM 890 C ASP A1066 31.102 33.929 -16.453 1.00 32.47 C ATOM 891 O ASP A1066 30.645 33.844 -15.298 1.00 28.51 O ATOM 892 CB ASP A1066 31.291 35.972 -17.856 1.00 34.14 C ATOM 893 CG ASP A1066 30.837 36.670 -19.178 1.00 41.16 C ATOM 894 OD1 ASP A1066 29.932 36.176 -19.909 1.00 41.84 O ATOM 895 OD2 ASP A1066 31.447 37.701 -19.505 1.00 48.43 O ATOM 896 H ASP A1066 28.997 36.268 -16.656 1.00 0.00 H ATOM 897 N ARG A1067 32.225 33.280 -16.824 1.00 31.34 N ATOM 898 CA ARG A1067 32.912 32.399 -15.853 1.00 32.01 C ATOM 899 C ARG A1067 33.825 33.202 -14.915 1.00 31.30 C ATOM 900 O ARG A1067 34.377 32.668 -13.947 1.00 30.65 O ATOM 901 CB ARG A1067 33.737 31.288 -16.568 1.00 33.59 C ATOM 902 CG ARG A1067 34.890 31.737 -17.470 1.00 34.65 C ATOM 903 CD ARG A1067 36.276 31.318 -16.973 1.00 36.22 C ATOM 904 NE ARG A1067 36.365 30.295 -15.892 1.00 36.03 N ATOM 905 CZ ARG A1067 37.113 30.391 -14.772 1.00 37.89 C ATOM 906 NH1 ARG A1067 37.156 29.364 -13.845 1.00 32.29 N ATOM 907 NH2 ARG A1067 37.864 31.494 -14.574 1.00 37.57 N ATOM 908 HE ARG A1067 35.800 29.430 -16.011 1.00 0.00 H ATOM 909 HH12 ARG A1067 37.739 29.460 -12.989 1.00 0.00 H ATOM 910 HH11 ARG A1067 36.605 28.496 -14.004 1.00 0.00 H ATOM 911 HH22 ARG A1067 38.445 31.581 -13.716 1.00 0.00 H ATOM 912 HH21 ARG A1067 37.862 32.258 -15.280 1.00 0.00 H ATOM 913 H ARG A1067 32.605 33.398 -17.785 1.00 0.00 H ATOM 914 N ASP A1068 34.020 34.475 -15.229 1.00 30.92 N ATOM 915 CA ASP A1068 34.929 35.313 -14.518 1.00 32.14 C ATOM 916 C ASP A1068 34.509 35.392 -13.021 1.00 30.56 C ATOM 917 O ASP A1068 33.302 35.292 -12.696 1.00 28.91 O ATOM 918 CB ASP A1068 34.989 36.685 -15.234 1.00 33.39 C ATOM 919 CG ASP A1068 35.479 36.567 -16.710 1.00 34.52 C ATOM 920 OD1 ASP A1068 36.699 36.439 -16.939 1.00 38.16 O ATOM 921 OD2 ASP A1068 34.656 36.553 -17.635 1.00 34.60 O ATOM 922 H ASP A1068 33.488 34.879 -16.026 1.00 0.00 H ATOM 923 N PRO A1069 35.464 35.563 -12.132 1.00 26.24 N ATOM 924 CA PRO A1069 35.119 35.504 -10.724 1.00 25.08 C ATOM 925 C PRO A1069 34.156 36.594 -10.238 1.00 21.98 C ATOM 926 O PRO A1069 33.383 36.322 -9.339 1.00 21.88 O ATOM 927 CB PRO A1069 36.460 35.635 -10.015 1.00 24.67 C ATOM 928 CG PRO A1069 37.477 35.353 -11.018 1.00 26.68 C ATOM 929 CD PRO A1069 36.932 35.576 -12.354 1.00 27.21 C ATOM 930 N GLY A1070 34.214 37.783 -10.814 1.00 21.84 N ATOM 931 CA GLY A1070 33.256 38.842 -10.475 1.00 23.59 C ATOM 932 C GLY A1070 31.779 38.454 -10.749 1.00 22.65 C ATOM 933 O GLY A1070 30.888 38.630 -9.911 1.00 22.79 O ATOM 934 H GLY A1070 34.953 37.971 -11.521 1.00 0.00 H ATOM 935 N ASP A1071 31.546 37.935 -11.947 1.00 24.49 N ATOM 936 CA ASP A1071 30.241 37.407 -12.336 1.00 25.98 C ATOM 937 C ASP A1071 29.843 36.238 -11.484 1.00 25.18 C ATOM 938 O ASP A1071 28.711 36.168 -10.979 1.00 24.37 O ATOM 939 CB ASP A1071 30.245 36.964 -13.789 1.00 26.45 C ATOM 940 CG ASP A1071 30.193 38.116 -14.746 1.00 29.74 C ATOM 941 OD1 ASP A1071 30.602 39.258 -14.401 1.00 32.56 O ATOM 942 OD2 ASP A1071 29.720 37.877 -15.883 1.00 30.11 O ATOM 943 H ASP A1071 32.324 37.903 -12.637 1.00 0.00 H ATOM 944 N ARG A1072 30.762 35.326 -11.240 1.00 23.76 N ATOM 945 CA ARG A1072 30.416 34.181 -10.437 1.00 23.57 C ATOM 946 C ARG A1072 30.066 34.577 -8.995 1.00 23.27 C ATOM 947 O ARG A1072 29.179 33.985 -8.395 1.00 21.61 O ATOM 948 CB ARG A1072 31.524 33.138 -10.484 1.00 23.73 C ATOM 949 CG ARG A1072 31.705 32.569 -11.890 1.00 25.11 C ATOM 950 CD ARG A1072 32.611 31.353 -11.903 1.00 25.83 C ATOM 951 NE ARG A1072 32.301 30.417 -12.982 1.00 27.29 N ATOM 952 CZ ARG A1072 33.182 29.571 -13.500 1.00 29.31 C ATOM 953 NH1 ARG A1072 34.423 29.613 -13.089 1.00 30.30 N ATOM 954 NH2 ARG A1072 32.846 28.717 -14.461 1.00 29.57 N ATOM 955 HE ARG A1072 31.334 30.414 -13.366 1.00 0.00 H ATOM 956 HH12 ARG A1072 35.125 28.956 -13.486 1.00 0.00 H ATOM 957 HH11 ARG A1072 34.708 30.303 -12.365 1.00 0.00 H ATOM 958 HH22 ARG A1072 33.557 28.065 -14.849 1.00 0.00 H ATOM 959 HH21 ARG A1072 31.872 28.701 -14.825 1.00 0.00 H ATOM 960 H ARG A1072 31.724 35.431 -11.622 1.00 0.00 H ATOM 961 N LEU A1073 30.761 35.589 -8.464 1.00 21.70 N ATOM 962 CA LEU A1073 30.496 36.065 -7.122 1.00 20.66 C ATOM 963 C LEU A1073 29.079 36.684 -7.018 1.00 20.98 C ATOM 964 O LEU A1073 28.316 36.315 -6.113 1.00 20.35 O ATOM 965 CB LEU A1073 31.524 37.089 -6.667 1.00 20.19 C ATOM 966 CG LEU A1073 31.276 37.729 -5.294 1.00 19.27 C ATOM 967 CD1 LEU A1073 31.224 36.711 -4.195 1.00 19.40 C ATOM 968 CD2 LEU A1073 32.364 38.745 -5.053 1.00 21.09 C ATOM 969 H LEU A1073 31.508 36.044 -9.027 1.00 0.00 H ATOM 970 N ILE A1074 28.738 37.553 -7.962 1.00 21.80 N ATOM 971 CA ILE A1074 27.457 38.214 -7.928 1.00 23.35 C ATOM 972 C ILE A1074 26.308 37.221 -8.161 1.00 22.33 C ATOM 973 O ILE A1074 25.287 37.338 -7.466 1.00 22.81 O ATOM 974 CB ILE A1074 27.343 39.462 -8.837 1.00 24.60 C ATOM 975 CG1 ILE A1074 26.056 40.225 -8.484 1.00 25.32 C ATOM 976 CG2 ILE A1074 27.312 39.099 -10.316 1.00 26.81 C ATOM 977 CD1 ILE A1074 26.023 41.661 -9.010 1.00 27.77 C ATOM 978 H ILE A1074 29.403 37.759 -8.735 1.00 0.00 H ATOM 979 N ARG A1075 26.497 36.220 -9.028 1.00 22.59 N ATOM 980 CA ARG A1075 25.493 35.150 -9.210 1.00 22.99 C ATOM 981 C ARG A1075 25.282 34.352 -7.921 1.00 23.03 C ATOM 982 O ARG A1075 24.152 34.021 -7.569 1.00 20.79 O ATOM 983 CB ARG A1075 25.826 34.211 -10.365 1.00 24.31 C ATOM 984 CG ARG A1075 25.808 34.889 -11.725 1.00 25.39 C ATOM 985 CD ARG A1075 25.560 33.865 -12.832 1.00 27.62 C ATOM 986 NE ARG A1075 26.544 32.792 -12.891 1.00 29.87 N ATOM 987 CZ ARG A1075 27.754 32.873 -13.455 1.00 30.40 C ATOM 988 NH1 ARG A1075 28.191 33.984 -14.030 1.00 30.79 N ATOM 989 NH2 ARG A1075 28.534 31.810 -13.459 1.00 33.66 N ATOM 990 HE ARG A1075 26.283 31.884 -12.457 1.00 0.00 H ATOM 991 HH12 ARG A1075 29.138 34.010 -14.459 1.00 0.00 H ATOM 992 HH11 ARG A1075 27.587 34.830 -14.053 1.00 0.00 H ATOM 993 HH22 ARG A1075 29.477 31.859 -13.894 1.00 0.00 H ATOM 994 HH21 ARG A1075 28.206 30.923 -13.027 1.00 0.00 H ATOM 995 H ARG A1075 27.373 36.194 -9.588 1.00 0.00 H ATOM 996 N HIS A1076 26.382 33.961 -7.262 1.00 21.55 N ATOM 997 CA HIS A1076 26.283 33.267 -5.983 1.00 21.05 C ATOM 998 C HIS A1076 25.483 34.039 -4.957 1.00 20.33 C ATOM 999 O HIS A1076 24.668 33.444 -4.204 1.00 20.71 O ATOM 1000 CB HIS A1076 27.681 32.905 -5.417 1.00 21.91 C ATOM 1001 CG HIS A1076 27.636 31.931 -4.293 1.00 21.15 C ATOM 1002 ND1 HIS A1076 27.651 32.313 -2.971 1.00 21.61 N ATOM 1003 CD2 HIS A1076 27.615 30.580 -4.292 1.00 21.82 C ATOM 1004 CE1 HIS A1076 27.581 31.243 -2.201 1.00 21.98 C ATOM 1005 NE2 HIS A1076 27.571 30.178 -2.984 1.00 22.17 N ATOM 1006 H HIS A1076 27.319 34.155 -7.669 1.00 0.00 H ATOM 1007 N ARG A1077 25.761 35.319 -4.879 1.00 19.55 N ATOM 1008 CA ARG A1077 25.118 36.207 -3.954 1.00 19.36 C ATOM 1009 C ARG A1077 23.628 36.408 -4.302 1.00 18.63 C ATOM 1010 O ARG A1077 22.815 36.526 -3.405 1.00 17.84 O ATOM 1011 CB ARG A1077 25.806 37.576 -3.972 1.00 20.41 C ATOM 1012 CG ARG A1077 27.136 37.619 -3.205 1.00 20.36 C ATOM 1013 CD ARG A1077 27.870 38.888 -3.432 1.00 21.48 C ATOM 1014 NE ARG A1077 29.000 39.013 -2.524 1.00 21.55 N ATOM 1015 CZ ARG A1077 29.889 40.011 -2.541 1.00 22.45 C ATOM 1016 NH1 ARG A1077 29.844 40.955 -3.448 1.00 23.23 N ATOM 1017 NH2 ARG A1077 30.860 40.037 -1.638 1.00 23.55 N ATOM 1018 HE ARG A1077 29.125 38.270 -1.808 1.00 0.00 H ATOM 1019 HH12 ARG A1077 30.549 41.720 -3.438 1.00 0.00 H ATOM 1020 HH11 ARG A1077 29.104 40.940 -4.178 1.00 0.00 H ATOM 1021 HH22 ARG A1077 31.556 40.810 -1.645 1.00 0.00 H ATOM 1022 HH21 ARG A1077 30.926 39.284 -0.923 1.00 0.00 H ATOM 1023 H ARG A1077 26.482 35.709 -5.519 1.00 0.00 H ATOM 1024 N ALA A1078 23.319 36.475 -5.593 1.00 17.87 N ATOM 1025 CA ALA A1078 21.952 36.591 -6.064 1.00 18.71 C ATOM 1026 C ALA A1078 21.165 35.340 -5.691 1.00 19.74 C ATOM 1027 O ALA A1078 20.026 35.445 -5.168 1.00 19.91 O ATOM 1028 CB ALA A1078 21.948 36.856 -7.570 1.00 19.73 C ATOM 1029 H ALA A1078 24.088 36.443 -6.293 1.00 0.00 H ATOM 1030 N CYS A1079 21.776 34.162 -5.874 1.00 20.76 N ATOM 1031 CA CYS A1079 21.158 32.938 -5.484 1.00 20.94 C ATOM 1032 C CYS A1079 20.985 32.853 -3.980 1.00 21.29 C ATOM 1033 O CYS A1079 19.924 32.391 -3.502 1.00 19.87 O ATOM 1034 CB CYS A1079 21.896 31.723 -6.004 1.00 22.88 C ATOM 1035 SG CYS A1079 21.745 31.560 -7.800 1.00 29.03 S ATOM 1036 H CYS A1079 22.720 34.140 -6.309 1.00 0.00 H ATOM 1037 N ALA A1080 22.001 33.303 -3.232 1.00 20.04 N ATOM 1038 CA ALA A1080 21.873 33.353 -1.764 1.00 19.71 C ATOM 1039 C ALA A1080 20.738 34.305 -1.280 1.00 20.17 C ATOM 1040 O ALA A1080 20.055 34.026 -0.273 1.00 20.88 O ATOM 1041 CB ALA A1080 23.196 33.751 -1.147 1.00 18.41 C ATOM 1042 H ALA A1080 22.881 33.618 -3.687 1.00 0.00 H ATOM 1043 N LEU A1081 20.588 35.441 -1.948 1.00 19.83 N ATOM 1044 CA LEU A1081 19.530 36.413 -1.604 1.00 19.77 C ATOM 1045 C LEU A1081 18.167 35.720 -1.777 1.00 19.60 C ATOM 1046 O LEU A1081 17.311 35.773 -0.915 1.00 19.11 O ATOM 1047 CB LEU A1081 19.569 37.613 -2.544 1.00 20.92 C ATOM 1048 CG LEU A1081 18.366 38.587 -2.333 1.00 25.52 C ATOM 1049 CD1 LEU A1081 18.722 39.623 -1.318 1.00 26.93 C ATOM 1050 CD2 LEU A1081 18.004 39.249 -3.618 1.00 30.08 C ATOM 1051 H LEU A1081 21.233 35.653 -2.736 1.00 0.00 H ATOM 1052 N ARG A1082 17.969 35.114 -2.936 1.00 20.12 N ATOM 1053 CA ARG A1082 16.730 34.412 -3.234 1.00 22.22 C ATOM 1054 C ARG A1082 16.473 33.272 -2.245 1.00 21.30 C ATOM 1055 O ARG A1082 15.385 33.160 -1.680 1.00 19.37 O ATOM 1056 CB ARG A1082 16.810 33.896 -4.648 1.00 26.11 C ATOM 1057 CG ARG A1082 15.580 33.162 -5.102 1.00 30.32 C ATOM 1058 CD ARG A1082 15.673 32.759 -6.547 1.00 35.78 C ATOM 1059 NE ARG A1082 14.370 32.263 -6.994 1.00 43.71 N ATOM 1060 CZ ARG A1082 14.039 30.972 -7.151 1.00 50.25 C ATOM 1061 NH1 ARG A1082 12.799 30.648 -7.525 1.00 50.23 N ATOM 1062 NH2 ARG A1082 14.934 29.999 -6.947 1.00 51.83 N ATOM 1063 HE ARG A1082 13.639 32.971 -7.208 1.00 0.00 H ATOM 1064 HH12 ARG A1082 12.537 29.649 -7.648 1.00 0.00 H ATOM 1065 HH11 ARG A1082 12.095 31.395 -7.693 1.00 0.00 H ATOM 1066 HH22 ARG A1082 14.659 29.004 -7.074 1.00 0.00 H ATOM 1067 HH21 ARG A1082 15.905 30.237 -6.662 1.00 0.00 H ATOM 1068 H ARG A1082 18.720 35.140 -3.655 1.00 0.00 H ATOM 1069 N ASP A1083 17.447 32.384 -2.063 1.00 21.40 N ATOM 1070 CA ASP A1083 17.286 31.306 -1.116 1.00 21.77 C ATOM 1071 C ASP A1083 17.018 31.766 0.303 1.00 20.16 C ATOM 1072 O ASP A1083 16.246 31.116 1.025 1.00 19.00 O ATOM 1073 CB ASP A1083 18.502 30.375 -1.080 1.00 24.49 C ATOM 1074 CG ASP A1083 18.728 29.668 -2.414 1.00 28.62 C ATOM 1075 OD1 ASP A1083 17.836 29.690 -3.310 1.00 30.37 O ATOM 1076 OD2 ASP A1083 19.842 29.170 -2.582 1.00 29.85 O ATOM 1077 H ASP A1083 18.330 32.467 -2.606 1.00 0.00 H ATOM 1078 N THR A1084 17.675 32.843 0.712 1.00 18.04 N ATOM 1079 CA THR A1084 17.470 33.380 2.037 1.00 17.42 C ATOM 1080 C THR A1084 16.042 33.914 2.196 1.00 16.99 C ATOM 1081 O THR A1084 15.422 33.687 3.227 1.00 17.95 O ATOM 1082 CB THR A1084 18.518 34.503 2.395 1.00 17.95 C ATOM 1083 OG1 THR A1084 19.857 33.942 2.337 1.00 17.43 O ATOM 1084 CG2 THR A1084 18.282 35.017 3.767 1.00 18.78 C ATOM 1085 HG1 THR A1084 20.032 33.602 1.424 1.00 0.00 H ATOM 1086 H THR A1084 18.348 33.308 0.069 1.00 0.00 H ATOM 1087 N ALA A1085 15.550 34.626 1.207 1.00 16.28 N ATOM 1088 CA ALA A1085 14.192 35.209 1.265 1.00 16.53 C ATOM 1089 C ALA A1085 13.178 34.076 1.362 1.00 16.86 C ATOM 1090 O ALA A1085 12.321 34.104 2.203 1.00 17.64 O ATOM 1091 CB ALA A1085 13.915 36.053 0.040 1.00 16.06 C ATOM 1092 H ALA A1085 16.132 34.784 0.360 1.00 0.00 H ATOM 1093 N TYR A1086 13.320 33.057 0.511 1.00 17.91 N ATOM 1094 CA TYR A1086 12.461 31.857 0.571 1.00 19.30 C ATOM 1095 C TYR A1086 12.513 31.108 1.888 1.00 19.68 C ATOM 1096 O TYR A1086 11.473 30.643 2.369 1.00 19.31 O ATOM 1097 CB TYR A1086 12.754 30.947 -0.604 1.00 21.14 C ATOM 1098 CG TYR A1086 12.052 31.329 -1.897 1.00 20.96 C ATOM 1099 CD1 TYR A1086 12.588 32.232 -2.763 1.00 21.59 C ATOM 1100 CD2 TYR A1086 10.793 30.778 -2.231 1.00 22.91 C ATOM 1101 CE1 TYR A1086 11.979 32.575 -3.984 1.00 22.09 C ATOM 1102 CE2 TYR A1086 10.174 31.116 -3.420 1.00 23.43 C ATOM 1103 CZ TYR A1086 10.770 32.024 -4.295 1.00 22.65 C ATOM 1104 OH TYR A1086 10.162 32.353 -5.480 1.00 23.95 O ATOM 1105 HH TYR A1086 10.724 33.006 -5.968 1.00 0.00 H ATOM 1106 H TYR A1086 14.060 33.110 -0.218 1.00 0.00 H ATOM 1107 N ALA A1087 13.699 31.007 2.474 1.00 19.25 N ATOM 1108 CA ALA A1087 13.880 30.329 3.743 1.00 20.81 C ATOM 1109 C ALA A1087 13.230 31.066 4.905 1.00 19.87 C ATOM 1110 O ALA A1087 12.612 30.450 5.817 1.00 18.79 O ATOM 1111 CB ALA A1087 15.373 30.120 4.033 1.00 22.16 C ATOM 1112 H ALA A1087 14.527 31.429 2.007 1.00 0.00 H ATOM 1113 N ILE A1088 13.388 32.383 4.907 1.00 18.82 N ATOM 1114 CA ILE A1088 12.762 33.191 5.930 1.00 18.98 C ATOM 1115 C ILE A1088 11.246 33.007 5.836 1.00 18.68 C ATOM 1116 O ILE A1088 10.573 32.741 6.832 1.00 18.72 O ATOM 1117 CB ILE A1088 13.160 34.689 5.820 1.00 17.77 C ATOM 1118 CG1 ILE A1088 14.625 34.844 6.218 1.00 19.66 C ATOM 1119 CG2 ILE A1088 12.298 35.547 6.713 1.00 18.58 C ATOM 1120 CD1 ILE A1088 15.182 36.209 5.903 1.00 19.31 C ATOM 1121 H ILE A1088 13.965 32.836 4.170 1.00 0.00 H ATOM 1122 N ILE A1089 10.732 33.091 4.633 1.00 18.46 N ATOM 1123 CA ILE A1089 9.339 33.004 4.385 1.00 19.21 C ATOM 1124 C ILE A1089 8.838 31.611 4.739 1.00 20.48 C ATOM 1125 O ILE A1089 7.827 31.479 5.391 1.00 18.72 O ATOM 1126 CB ILE A1089 8.991 33.420 2.939 1.00 20.50 C ATOM 1127 CG1 ILE A1089 9.041 34.970 2.864 1.00 21.74 C ATOM 1128 CG2 ILE A1089 7.633 32.895 2.507 1.00 22.22 C ATOM 1129 CD1 ILE A1089 9.276 35.470 1.472 1.00 26.47 C ATOM 1130 H ILE A1089 11.374 33.227 3.826 1.00 0.00 H ATOM 1131 N LYS A1090 9.579 30.585 4.392 1.00 21.92 N ATOM 1132 CA LYS A1090 9.140 29.240 4.778 1.00 23.93 C ATOM 1133 C LYS A1090 9.023 29.072 6.284 1.00 25.01 C ATOM 1134 O LYS A1090 8.114 28.414 6.769 1.00 24.90 O ATOM 1135 CB LYS A1090 10.103 28.197 4.212 1.00 27.94 C ATOM 1136 CG LYS A1090 9.694 26.774 4.531 1.00 33.82 C ATOM 1137 CD LYS A1090 10.771 25.798 4.049 1.00 41.45 C ATOM 1138 CE LYS A1090 10.293 24.335 4.132 1.00 48.93 C ATOM 1139 NZ LYS A1090 8.903 24.203 3.587 1.00 53.03 N ATOM 1140 HZ1 LYS A1090 8.257 24.801 4.140 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 8.892 24.506 2.592 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 8.599 23.210 3.652 1.00 0.00 H ATOM 1143 H LYS A1090 10.459 30.723 3.855 1.00 0.00 H ATOM 1144 N GLU A1091 9.941 29.638 7.039 1.00 23.58 N ATOM 1145 CA GLU A1091 9.903 29.530 8.465 1.00 25.27 C ATOM 1146 C GLU A1091 8.935 30.459 9.177 1.00 23.73 C ATOM 1147 O GLU A1091 8.538 30.170 10.306 1.00 25.45 O ATOM 1148 CB GLU A1091 11.278 29.785 9.085 1.00 29.99 C ATOM 1149 CG GLU A1091 12.236 28.620 8.899 1.00 41.51 C ATOM 1150 CD GLU A1091 13.501 28.709 9.765 1.00 52.32 C ATOM 1151 OE1 GLU A1091 13.843 27.674 10.406 1.00 60.23 O ATOM 1152 OE2 GLU A1091 14.162 29.791 9.784 1.00 54.97 O ATOM 1153 H GLU A1091 10.710 30.175 6.589 1.00 0.00 H ATOM 1154 N GLU A1092 8.660 31.626 8.606 1.00 18.87 N ATOM 1155 CA GLU A1092 7.979 32.679 9.337 1.00 18.89 C ATOM 1156 C GLU A1092 6.632 33.118 8.796 1.00 17.97 C ATOM 1157 O GLU A1092 5.916 33.817 9.494 1.00 19.63 O ATOM 1158 CB GLU A1092 8.886 33.913 9.426 1.00 18.19 C ATOM 1159 CG GLU A1092 10.213 33.551 10.112 1.00 19.11 C ATOM 1160 CD GLU A1092 11.189 34.713 10.244 1.00 18.92 C ATOM 1161 OE1 GLU A1092 10.747 35.866 10.246 1.00 17.77 O ATOM 1162 OE2 GLU A1092 12.415 34.446 10.340 1.00 16.80 O ATOM 1163 H GLU A1092 8.938 31.788 7.617 1.00 0.00 H ATOM 1164 N LEU A1093 6.314 32.784 7.554 1.00 18.10 N ATOM 1165 CA LEU A1093 5.007 33.107 6.997 1.00 19.39 C ATOM 1166 C LEU A1093 3.982 32.011 7.246 1.00 20.63 C ATOM 1167 O LEU A1093 4.158 30.886 6.782 1.00 21.32 O ATOM 1168 CB LEU A1093 5.150 33.228 5.493 1.00 21.50 C ATOM 1169 CG LEU A1093 3.835 33.370 4.704 1.00 24.44 C ATOM 1170 CD1 LEU A1093 3.154 34.668 5.052 1.00 22.85 C ATOM 1171 CD2 LEU A1093 4.121 33.265 3.215 1.00 27.19 C ATOM 1172 H LEU A1093 7.010 32.282 6.966 1.00 0.00 H ATOM 1173 N ASP A1094 2.909 32.299 7.953 1.00 20.43 N ATOM 1174 CA ASP A1094 1.846 31.308 8.101 1.00 21.49 C ATOM 1175 C ASP A1094 1.144 31.092 6.776 1.00 20.88 C ATOM 1176 O ASP A1094 0.722 32.059 6.125 1.00 18.93 O ATOM 1177 CB ASP A1094 0.879 31.767 9.156 1.00 23.77 C ATOM 1178 CG ASP A1094 -0.106 30.705 9.524 1.00 25.72 C ATOM 1179 OD1 ASP A1094 -0.855 30.302 8.639 1.00 28.10 O ATOM 1180 OD2 ASP A1094 -0.158 30.277 10.688 1.00 25.83 O ATOM 1181 H ASP A1094 2.818 33.231 8.406 1.00 0.00 H ATOM 1182 N GLU A1095 1.047 29.842 6.365 1.00 21.95 N ATOM 1183 CA GLU A1095 0.389 29.494 5.082 1.00 23.55 C ATOM 1184 C GLU A1095 -1.055 29.949 4.960 1.00 21.27 C ATOM 1185 O GLU A1095 -1.492 30.299 3.860 1.00 20.63 O ATOM 1186 CB GLU A1095 0.432 27.993 4.827 1.00 28.67 C ATOM 1187 CG GLU A1095 1.814 27.534 4.426 1.00 37.32 C ATOM 1188 CD GLU A1095 1.910 26.023 4.204 1.00 46.98 C ATOM 1189 OE1 GLU A1095 0.949 25.252 4.546 1.00 51.23 O ATOM 1190 OE2 GLU A1095 2.985 25.638 3.687 1.00 57.16 O ATOM 1191 H GLU A1095 1.442 29.082 6.955 1.00 0.00 H ATOM 1192 N ASP A1096 -1.780 29.966 6.064 1.00 20.98 N ATOM 1193 CA ASP A1096 -3.179 30.403 6.083 1.00 21.29 C ATOM 1194 C ASP A1096 -3.280 31.939 5.950 1.00 20.77 C ATOM 1195 O ASP A1096 -4.294 32.491 5.469 1.00 19.70 O ATOM 1196 CB ASP A1096 -3.829 29.940 7.353 1.00 22.49 C ATOM 1197 CG ASP A1096 -4.146 28.409 7.341 1.00 24.26 C ATOM 1198 OD1 ASP A1096 -4.220 27.774 6.295 1.00 26.82 O ATOM 1199 OD2 ASP A1096 -4.197 27.878 8.407 1.00 26.51 O ATOM 1200 H ASP A1096 -1.341 29.657 6.955 1.00 0.00 H ATOM 1201 N PHE A1097 -2.242 32.647 6.424 1.00 19.71 N ATOM 1202 CA PHE A1097 -2.177 34.093 6.263 1.00 18.72 C ATOM 1203 C PHE A1097 -2.006 34.412 4.767 1.00 18.39 C ATOM 1204 O PHE A1097 -2.783 35.211 4.171 1.00 17.89 O ATOM 1205 CB PHE A1097 -1.064 34.696 7.133 1.00 18.89 C ATOM 1206 CG PHE A1097 -0.936 36.208 6.968 1.00 18.75 C ATOM 1207 CD1 PHE A1097 -1.733 37.068 7.703 1.00 19.57 C ATOM 1208 CD2 PHE A1097 -0.131 36.727 5.976 1.00 18.88 C ATOM 1209 CE1 PHE A1097 -1.672 38.445 7.500 1.00 19.36 C ATOM 1210 CE2 PHE A1097 -0.029 38.087 5.775 1.00 19.30 C ATOM 1211 CZ PHE A1097 -0.803 38.954 6.545 1.00 18.91 C ATOM 1212 H PHE A1097 -1.470 32.153 6.915 1.00 0.00 H ATOM 1213 N GLU A1098 -1.035 33.763 4.128 1.00 17.83 N ATOM 1214 CA GLU A1098 -0.862 33.904 2.721 1.00 17.86 C ATOM 1215 C GLU A1098 -2.119 33.522 1.936 1.00 20.04 C ATOM 1216 O GLU A1098 -2.465 34.194 0.961 1.00 20.11 O ATOM 1217 CB GLU A1098 0.347 33.129 2.228 1.00 18.51 C ATOM 1218 CG GLU A1098 0.529 33.107 0.721 1.00 19.33 C ATOM 1219 CD GLU A1098 0.792 34.453 0.050 1.00 19.10 C ATOM 1220 OE1 GLU A1098 1.065 35.425 0.733 1.00 19.09 O ATOM 1221 OE2 GLU A1098 0.812 34.508 -1.212 1.00 19.95 O ATOM 1222 H GLU A1098 -0.393 33.144 4.664 1.00 0.00 H ATOM 1223 N GLN A1099 -2.772 32.417 2.314 1.00 20.62 N ATOM 1224 CA GLN A1099 -3.955 31.981 1.599 1.00 22.22 C ATOM 1225 C GLN A1099 -5.073 33.066 1.711 1.00 20.96 C ATOM 1226 O GLN A1099 -5.711 33.390 0.748 1.00 21.09 O ATOM 1227 CB GLN A1099 -4.434 30.639 2.148 1.00 23.90 C ATOM 1228 CG GLN A1099 -5.608 30.086 1.365 1.00 26.69 C ATOM 1229 CD GLN A1099 -5.244 29.774 -0.060 1.00 29.40 C ATOM 1230 OE1 GLN A1099 -4.118 29.377 -0.335 1.00 28.65 O ATOM 1231 NE2 GLN A1099 -6.189 29.971 -0.984 1.00 30.36 N ATOM 1232 HE22 GLN A1099 -7.131 30.309 -0.701 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -5.983 29.786 -1.986 1.00 0.00 H ATOM 1234 H GLN A1099 -2.428 31.867 3.127 1.00 0.00 H ATOM 1235 N LEU A1100 -5.226 33.646 2.875 1.00 19.36 N ATOM 1236 CA LEU A1100 -6.137 34.777 3.060 1.00 19.46 C ATOM 1237 C LEU A1100 -5.844 35.961 2.135 1.00 20.27 C ATOM 1238 O LEU A1100 -6.731 36.477 1.439 1.00 19.87 O ATOM 1239 CB LEU A1100 -6.186 35.173 4.534 1.00 19.96 C ATOM 1240 CG LEU A1100 -7.094 36.386 4.878 1.00 20.74 C ATOM 1241 CD1 LEU A1100 -8.542 36.121 4.425 1.00 22.69 C ATOM 1242 CD2 LEU A1100 -7.040 36.747 6.379 1.00 20.82 C ATOM 1243 H LEU A1100 -4.685 33.293 3.691 1.00 0.00 H ATOM 1244 N CYS A1101 -4.573 36.372 2.086 1.00 19.11 N ATOM 1245 CA CYS A1101 -4.159 37.453 1.223 1.00 20.21 C ATOM 1246 C CYS A1101 -4.542 37.184 -0.218 1.00 20.23 C ATOM 1247 O CYS A1101 -5.071 38.096 -0.905 1.00 20.74 O ATOM 1248 CB CYS A1101 -2.621 37.705 1.334 1.00 18.78 C ATOM 1249 SG CYS A1101 -2.102 38.426 2.887 1.00 19.76 S ATOM 1250 H CYS A1101 -3.865 35.901 2.684 1.00 0.00 H ATOM 1251 N GLU A1102 -4.269 35.965 -0.678 1.00 20.36 N ATOM 1252 CA GLU A1102 -4.525 35.561 -2.044 1.00 22.60 C ATOM 1253 C GLU A1102 -6.040 35.589 -2.342 1.00 24.33 C ATOM 1254 O GLU A1102 -6.486 35.978 -3.444 1.00 24.95 O ATOM 1255 CB GLU A1102 -3.938 34.158 -2.318 1.00 24.32 C ATOM 1256 CG GLU A1102 -2.390 34.152 -2.369 1.00 26.61 C ATOM 1257 CD GLU A1102 -1.717 32.793 -2.601 1.00 28.74 C ATOM 1258 OE1 GLU A1102 -2.423 31.892 -3.023 1.00 31.02 O ATOM 1259 OE2 GLU A1102 -0.467 32.619 -2.363 1.00 29.60 O ATOM 1260 H GLU A1102 -3.852 35.271 -0.025 1.00 0.00 H ATOM 1261 N GLU A1103 -6.837 35.172 -1.363 1.00 23.34 N ATOM 1262 CA GLU A1103 -8.279 35.135 -1.535 1.00 24.66 C ATOM 1263 C GLU A1103 -8.884 36.556 -1.557 1.00 26.18 C ATOM 1264 O GLU A1103 -9.785 36.799 -2.385 1.00 30.42 O ATOM 1265 CB GLU A1103 -8.960 34.213 -0.524 1.00 23.71 C ATOM 1266 CG GLU A1103 -8.692 32.762 -0.914 1.00 24.24 C ATOM 1267 CD GLU A1103 -9.280 31.670 -0.031 1.00 23.78 C ATOM 1268 OE1 GLU A1103 -10.048 31.958 0.862 1.00 22.14 O ATOM 1269 OE2 GLU A1103 -8.869 30.494 -0.240 1.00 25.26 O ATOM 1270 H GLU A1103 -6.421 34.867 -0.460 1.00 0.00 H ATOM 1271 N ILE A1104 -8.345 37.484 -0.764 1.00 24.29 N ATOM 1272 CA ILE A1104 -8.765 38.867 -0.792 1.00 25.64 C ATOM 1273 C ILE A1104 -8.375 39.453 -2.157 1.00 28.05 C ATOM 1274 O ILE A1104 -9.220 40.045 -2.832 1.00 30.98 O ATOM 1275 CB ILE A1104 -8.166 39.720 0.331 1.00 24.78 C ATOM 1276 CG1 ILE A1104 -8.497 39.178 1.737 1.00 23.69 C ATOM 1277 CG2 ILE A1104 -8.673 41.141 0.197 1.00 25.65 C ATOM 1278 CD1 ILE A1104 -7.675 39.791 2.845 1.00 22.74 C ATOM 1279 H ILE A1104 -7.595 37.202 -0.101 1.00 0.00 H ATOM 1280 N GLN A1105 -7.114 39.261 -2.570 1.00 29.24 N ATOM 1281 CA GLN A1105 -6.613 39.709 -3.898 1.00 31.12 C ATOM 1282 C GLN A1105 -7.521 39.254 -5.039 1.00 33.79 C ATOM 1283 O GLN A1105 -7.873 40.048 -5.915 1.00 35.82 O ATOM 1284 CB GLN A1105 -5.195 39.188 -4.197 1.00 30.47 C ATOM 1285 CG GLN A1105 -4.611 39.710 -5.508 1.00 31.36 C ATOM 1286 CD GLN A1105 -3.245 39.130 -5.790 1.00 34.67 C ATOM 1287 OE1 GLN A1105 -3.069 37.928 -5.732 1.00 33.51 O ATOM 1288 NE2 GLN A1105 -2.256 39.990 -6.066 1.00 34.59 N ATOM 1289 HE22 GLN A1105 -2.451 41.011 -6.106 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -1.293 39.637 -6.241 1.00 0.00 H ATOM 1291 H GLN A1105 -6.453 38.775 -1.931 1.00 0.00 H ATOM 1292 N GLU A1106 -7.875 37.983 -5.031 1.00 36.85 N ATOM 1293 CA GLU A1106 -8.719 37.396 -6.082 1.00 39.77 C ATOM 1294 C GLU A1106 -10.143 37.938 -6.118 1.00 41.70 C ATOM 1295 O GLU A1106 -10.800 37.823 -7.139 1.00 40.57 O ATOM 1296 CB GLU A1106 -8.841 35.898 -5.884 1.00 45.25 C ATOM 1297 CG GLU A1106 -7.608 35.096 -6.216 1.00 51.61 C ATOM 1298 CD GLU A1106 -7.876 33.609 -6.025 1.00 62.51 C ATOM 1299 OE1 GLU A1106 -7.723 33.081 -4.893 1.00 63.74 O ATOM 1300 OE2 GLU A1106 -8.292 32.974 -7.025 1.00 75.29 O ATOM 1301 H GLU A1106 -7.545 37.375 -4.254 1.00 0.00 H ATOM 1302 N SER A1107 -10.618 38.446 -4.988 1.00 39.90 N ATOM 1303 CA SER A1107 -11.936 39.056 -4.844 1.00 43.89 C ATOM 1304 C SER A1107 -12.022 40.505 -5.353 1.00 45.92 C ATOM 1305 O SER A1107 -13.118 41.047 -5.406 1.00 51.70 O ATOM 1306 CB SER A1107 -12.383 39.038 -3.371 1.00 38.58 C ATOM 1307 OG SER A1107 -11.818 40.130 -2.643 1.00 38.20 O ATOM 1308 HG SER A1107 -12.123 40.091 -1.702 1.00 0.00 H ATOM 1309 H SER A1107 -10.009 38.407 -4.146 1.00 0.00 H ATOM 1310 N ARG A1108 -10.900 41.121 -5.702 1.00 48.80 N ATOM 1311 CA ARG A1108 -10.878 42.525 -6.122 1.00 52.78 C ATOM 1312 C ARG A1108 -10.692 42.682 -7.627 1.00 57.74 C ATOM 1313 O ARG A1108 -10.782 43.812 -8.086 1.00 61.92 O ATOM 1314 CB ARG A1108 -9.784 43.300 -5.385 1.00 51.71 C ATOM 1315 CG ARG A1108 -9.936 43.166 -3.882 1.00 50.78 C ATOM 1316 CD ARG A1108 -9.173 44.189 -3.081 1.00 47.00 C ATOM 1317 NE ARG A1108 -9.707 44.236 -1.707 1.00 46.80 N ATOM 1318 CZ ARG A1108 -9.185 44.965 -0.721 1.00 44.19 C ATOM 1319 NH1 ARG A1108 -8.110 45.721 -0.942 1.00 46.82 N ATOM 1320 NH2 ARG A1108 -9.730 44.944 0.486 1.00 43.46 N ATOM 1321 OXT ARG A1108 -10.441 41.743 -8.395 1.00 61.39 O ATOM 1322 HE ARG A1108 -10.547 43.662 -1.493 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -7.706 46.288 -0.170 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -7.675 45.744 -1.887 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -9.319 45.515 1.252 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -10.569 44.357 0.668 1.00 0.00 H ATOM 1327 H ARG A1108 -10.006 40.590 -5.677 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 19.600 44.512 -8.128 1.00 27.11 O HETATM 1330 O HOH 2 -11.543 35.421 -3.185 1.00 33.72 O HETATM 1331 O HOH 3 2.015 27.635 7.858 1.00 34.90 O HETATM 1332 O HOH 4 8.340 45.824 9.463 1.00 15.32 O HETATM 1333 O HOH 5 10.140 37.204 -11.250 1.00 24.77 O HETATM 1334 O HOH 6 11.981 41.375 -16.814 1.00 37.68 O HETATM 1335 O HOH 7 17.772 37.920 9.889 1.00 35.40 O HETATM 1336 O HOH 8 -4.240 27.567 3.571 1.00 38.50 O HETATM 1337 O HOH 9 1.229 38.656 13.787 1.00 16.77 O HETATM 1338 O HOH 10 2.601 46.265 -0.541 1.00 17.59 O HETATM 1339 O HOH 11 15.537 28.604 0.474 1.00 26.98 O HETATM 1340 O HOH 12 5.393 41.487 -8.236 1.00 37.72 O HETATM 1341 O HOH 13 -0.628 46.321 0.434 1.00 21.88 O HETATM 1342 O HOH 14 26.167 40.961 7.221 1.00 30.85 O HETATM 1343 O HOH 15 -6.642 26.407 2.205 1.00 46.89 O HETATM 1344 O HOH 16 -3.222 47.032 -0.107 1.00 34.35 O HETATM 1345 O HOH 17 -12.028 33.926 1.402 1.00 22.22 O HETATM 1346 O HOH 18 11.010 46.769 9.187 1.00 25.22 O HETATM 1347 O HOH 19 -3.623 50.531 6.035 1.00 55.91 O HETATM 1348 O HOH 20 -2.367 28.533 10.713 1.00 38.34 O HETATM 1349 O HOH 21 20.322 40.069 7.950 1.00 34.02 O HETATM 1350 O HOH 22 15.592 38.865 -15.379 1.00 27.34 O HETATM 1351 O HOH 23 32.459 33.398 -19.655 1.00 40.58 O HETATM 1352 O HOH 24 -0.415 29.504 1.576 1.00 41.29 O HETATM 1353 O HOH 25 20.067 38.031 5.517 1.00 35.33 O HETATM 1354 O HOH 26 35.777 32.085 -11.564 1.00 25.56 O HETATM 1355 O HOH 27 13.217 52.709 -0.358 1.00 35.65 O HETATM 1356 O HOH 28 27.102 42.777 -2.395 1.00 25.70 O HETATM 1357 O HOH 29 13.818 32.295 10.491 1.00 35.65 O HETATM 1358 O HOH 30 24.381 30.996 -3.371 1.00 31.41 O HETATM 1359 O HOH 31 8.808 54.136 0.718 1.00 30.61 O HETATM 1360 O HOH 32 16.395 48.756 -9.691 1.00 28.59 O HETATM 1361 O HOH 33 21.411 33.456 4.403 1.00 28.77 O HETATM 1362 O HOH 34 18.004 44.780 -11.239 1.00 27.24 O HETATM 1363 O HOH 35 6.099 35.961 11.266 1.00 24.65 O HETATM 1364 O HOH 36 28.807 41.171 -6.162 1.00 30.82 O HETATM 1365 O HOH 37 9.318 52.148 4.645 1.00 35.64 O HETATM 1366 O HOH 38 -6.638 26.339 7.443 1.00 47.26 O HETATM 1367 O HOH 39 15.739 41.789 -18.874 1.00 33.19 O HETATM 1368 O HOH 40 28.505 41.948 -17.558 1.00 51.19 O HETATM 1369 O HOH 41 -12.097 43.063 -0.856 1.00 39.31 O HETATM 1370 O HOH 42 23.767 45.008 2.428 1.00 24.25 O HETATM 1371 O HOH 43 29.687 43.904 -6.234 1.00 44.18 O HETATM 1372 O HOH 44 12.494 36.388 -12.535 1.00 29.31 O HETATM 1373 O HOH 45 12.824 38.514 -16.220 1.00 38.31 O HETATM 1374 O HOH 46 30.934 40.678 -8.056 1.00 30.31 O HETATM 1375 O HOH 47 21.571 42.668 -11.831 1.00 24.66 O HETATM 1376 O HOH 48 28.382 30.926 -8.497 1.00 42.78 O HETATM 1377 O HOH 49 -15.199 41.399 1.969 1.00 41.22 O HETATM 1378 O HOH 50 5.480 28.859 5.689 1.00 41.77 O HETATM 1379 O HOH 51 14.837 33.976 -9.858 1.00 36.55 O HETATM 1380 O HOH 52 14.768 52.955 -5.379 1.00 51.96 O HETATM 1381 O HOH 53 17.355 48.515 5.746 1.00 56.55 O HETATM 1382 O HOH 54 15.069 48.232 5.018 1.00 51.11 O HETATM 1383 O HOH 55 -5.448 34.033 7.564 1.00 27.94 O HETATM 1384 O HOH 56 -0.515 36.519 -5.752 1.00 33.96 O HETATM 1385 O HOH 57 38.605 31.864 -11.643 1.00 23.36 O HETATM 1386 O HOH 58 -4.776 36.305 9.199 1.00 28.43 O HETATM 1387 O HOH 59 15.076 50.847 -10.685 1.00 45.78 O HETATM 1388 O HOH 60 9.039 39.478 9.367 1.00 37.60 O HETATM 1389 O HOH 61 30.389 30.051 -14.987 1.00 35.03 O HETATM 1390 O HOH 62 11.593 47.760 -13.142 1.00 44.29 O HETATM 1391 O HOH 63 23.884 48.856 -6.975 1.00 52.70 O HETATM 1392 O HOH 64 29.501 44.117 -1.969 1.00 41.63 O HETATM 1393 O HOH 65 23.561 31.462 3.569 1.00 50.89 O HETATM 1394 O HOH 66 9.347 29.639 0.750 1.00 34.35 O HETATM 1395 O HOH 67 16.669 32.336 -10.465 1.00 42.07 O HETATM 1396 O HOH 68 18.772 47.920 -10.560 1.00 41.00 O HETATM 1397 O HOH 69 18.177 34.906 -15.503 1.00 47.07 O HETATM 1398 O HOH 70 -15.306 47.092 7.367 1.00 41.78 O HETATM 1399 O HOH 71 -13.407 41.006 6.016 1.00 50.83 O HETATM 1400 O HOH 72 2.573 51.643 12.867 1.00 41.34 O HETATM 1401 O HOH 73 26.704 38.234 5.779 1.00 49.19 O HETATM 1402 O HOH 74 7.899 43.880 -10.876 1.00 35.61 O HETATM 1403 O HOH 75 -1.091 33.148 -6.261 1.00 60.93 O HETATM 1404 O HOH 76 8.625 39.025 -12.887 1.00 51.68 O HETATM 1405 O HOH 77 18.889 49.851 -12.629 1.00 54.14 O HETATM 1406 O HOH 78 -0.029 52.016 -5.440 1.00 48.72 O HETATM 1407 O HOH 79 28.976 27.705 -13.259 1.00 61.58 O HETATM 1408 O HOH 80 11.401 41.178 -19.558 1.00 49.38 O HETATM 1409 O HOH 81 19.556 54.205 -11.616 1.00 61.95 O HETATM 1410 O HOH 82 25.441 50.451 -3.089 1.00 63.45 O HETATM 1411 O HOH 83 28.512 51.122 -6.597 1.00 54.42 O HETATM 1412 O HOH 84 -5.853 39.167 8.984 1.00 40.55 O HETATM 1413 O HOH 85 -5.891 47.398 -0.420 1.00 54.95 O HETATM 1414 O HOH 86 18.046 48.581 0.563 1.00 40.87 O HETATM 1415 O HOH 87 22.944 36.337 -19.979 1.00 45.64 O HETATM 1416 O HOH 88 12.677 49.368 -10.156 1.00 61.25 O HETATM 1417 O HOH 89 -2.615 52.951 4.732 1.00 55.87 O HETATM 1418 O HOH 90 19.181 44.126 -24.759 1.00 55.32 O HETATM 1419 O HOH 91 21.222 28.354 -4.844 1.00 56.00 O HETATM 1420 O HOH 92 15.018 51.629 1.693 1.00 46.52 O HETATM 1421 O HOH 93 13.226 27.597 5.902 1.00 33.95 O HETATM 1422 O HOH 94 12.895 48.190 5.958 1.00 65.57 O HETATM 1423 O HOH 95 -2.562 42.531 -6.739 1.00 48.99 O HETATM 1424 O HOH 96 7.724 40.661 -10.880 1.00 54.38 O HETATM 1425 O HOH 97 -8.865 39.005 -9.869 1.00 62.80 O HETATM 1426 O HOH 98 21.721 48.417 3.827 1.00 49.56 O HETATM 1427 O HOH 99 29.728 31.292 -17.257 1.00 47.59 O HETATM 1428 O HOH 100 -11.420 47.634 2.137 1.00 47.29 O HETATM 1429 O HOH 101 38.236 36.975 -19.084 1.00 58.12 O HETATM 1430 O HOH 102 -2.300 25.585 6.470 1.00 58.16 O HETATM 1431 O HOH 103 -7.249 46.400 -3.703 1.00 52.81 O HETATM 1432 O HOH 104 29.301 41.618 -15.085 1.00 47.81 O HETATM 1433 O HOH 105 22.193 30.035 -1.888 1.00 42.57 O HETATM 1434 O HOH 106 6.924 40.370 10.659 1.00 17.45 O HETATM 1435 O HOH 107 25.919 46.275 3.765 1.00 39.11 O HETATM 1436 O HOH 108 12.951 33.574 -11.902 1.00 41.63 O HETATM 1437 O HOH 109 27.954 29.132 -11.828 1.00 46.00 O HETATM 1438 O HOH 110 10.928 27.332 0.193 1.00 41.74 O HETATM 1439 O HOH 111 13.924 26.444 3.756 1.00 42.50 O HETATM 1440 O HOH 112 19.829 50.246 1.742 1.00 54.06 O HETATM 1441 O HOH 113 20.056 32.824 -16.433 1.00 53.11 O HETATM 1442 O HOH 114 -1.565 37.915 -9.305 1.00 57.94 O HETATM 1443 O HOH 115 4.963 38.441 11.034 1.00 17.53 O HETATM 1444 O HOH 116 1.018 32.244 12.615 1.00 39.66 O HETATM 1445 O HOH 117 1.181 34.662 11.266 1.00 48.31 O HETATM 1446 O HOH 118 8.119 34.216 -8.260 1.00 39.49 O HETATM 1447 O HOH 119 6.197 34.239 -6.830 1.00 38.02 O HETATM 1448 O HOH 120 7.010 32.197 -5.444 1.00 41.96 O HETATM 1449 O HOH 121 8.884 34.747 -10.797 1.00 34.94 O HETATM 1450 O HOH 122 25.306 30.976 0.053 1.00 28.17 O HETATM 1451 O HOH 123 26.639 33.016 0.691 1.00 26.59 O HETATM 1452 O HOH 124 38.004 33.587 -15.945 1.00 28.62 O HETATM 1453 O HOH 125 39.772 34.791 -14.576 1.00 55.24 O HETATM 1454 O HOH 126 -12.671 39.824 -0.284 1.00 42.99 O HETATM 1455 O HOH 127 -13.530 36.202 -5.167 1.00 54.64 O HETATM 1456 O HOH 128 -10.495 33.248 -4.199 1.00 41.92 O HETATM 1457 O HOH 129 -10.165 30.351 -4.289 1.00 54.94 O HETATM 1458 O HOH 130 -9.372 28.949 -2.338 1.00 45.80 O HETATM 1459 O HOH 131 -8.206 26.530 -1.847 1.00 50.72 O HETATM 1460 O HOH 132 -5.906 31.199 -4.287 1.00 57.47 O HETATM 1461 O HOH 133 -1.393 30.079 -0.472 1.00 45.01 O HETATM 1462 O HOH 134 2.651 29.982 1.931 1.00 41.42 O HETATM 1463 O HOH 135 5.149 31.054 -1.241 1.00 51.99 O HETATM 1464 O HOH 136 8.454 27.571 -2.800 1.00 59.40 O HETATM 1465 O HOH 137 13.306 27.568 1.494 1.00 36.30 O HETATM 1466 O HOH 138 15.490 28.672 7.669 1.00 57.53 O HETATM 1467 O HOH 139 17.071 35.590 9.446 1.00 41.58 O HETATM 1468 O HOH 140 18.999 36.463 7.209 1.00 43.11 O HETATM 1469 O HOH 141 -9.322 42.691 11.693 1.00 58.67 O HETATM 1470 O HOH 142 -4.123 48.038 4.168 1.00 30.93 O HETATM 1471 O HOH 143 -3.189 48.371 -3.260 1.00 51.42 O HETATM 1472 O HOH 144 -6.500 44.719 -5.972 1.00 56.95 O HETATM 1473 O HOH 145 -2.722 47.252 11.505 1.00 50.77 O HETATM 1474 O HOH 146 29.462 43.960 0.648 1.00 50.05 O HETATM 1475 O HOH 147 19.999 42.332 -9.684 1.00 23.36 O HETATM 1476 O HOH 148 20.919 46.578 -7.889 1.00 40.08 O HETATM 1477 O HOH 149 21.965 53.886 -7.096 1.00 55.71 O HETATM 1478 O HOH 150 28.323 47.105 -3.309 1.00 54.80 O HETATM 1479 O HOH 151 29.584 39.528 -17.841 1.00 42.72 O HETATM 1480 O HOH 152 32.633 40.002 -16.069 1.00 54.37 O HETATM 1481 O HOH 153 36.139 38.669 -12.547 1.00 50.89 O HETATM 1482 O HOH 154 34.803 28.699 -19.824 1.00 49.83 O HETATM 1483 O HOH 155 38.335 25.984 -15.441 1.00 39.17 O HETATM 1484 O HOH 156 15.567 49.241 -18.119 1.00 41.06 O HETATM 1485 O HOH 157 14.269 50.861 -16.819 1.00 41.41 O HETATM 1486 O HOH 158 13.042 48.650 -20.293 1.00 32.74 O HETATM 1487 O HOH 159 10.995 47.348 -21.366 1.00 28.62 O HETATM 1488 O HOH 160 11.324 49.028 -16.173 1.00 40.90 O HETATM 1489 O HOH 161 9.794 50.739 -15.813 1.00 49.29 O HETATM 1490 O HOH 162 7.498 47.765 -10.487 1.00 34.99 O HETATM 1491 O HOH 163 6.153 50.626 -8.632 1.00 45.27 O HETATM 1492 O HOH 164 2.987 43.272 -7.640 1.00 49.52 O HETATM 1493 O HOH 165 -4.425 35.959 -5.679 1.00 45.87 O HETATM 1494 O HOH 166 -15.370 41.520 -1.874 1.00 53.93 O HETATM 1495 O HOH 167 14.513 42.301 -16.417 1.00 28.22 O HETATM 1496 O HOH 168 8.408 40.071 -18.898 1.00 55.85 O HETATM 1497 O HOH 169 10.811 44.889 -22.533 1.00 31.43 O HETATM 1498 O HOH 170 12.594 53.536 -4.664 1.00 45.92 O HETATM 1499 O HOH 171 23.558 32.973 -15.935 1.00 41.34 O HETATM 1500 O HOH 172 25.800 31.554 -16.462 1.00 48.36 O HETATM 1501 O HOH 173 24.233 30.741 -11.379 1.00 50.21 O HETATM 1502 O HOH 174 6.865 29.004 1.998 1.00 51.66 O HETATM 1503 O HOH 175 6.818 26.941 13.092 1.00 55.11 O HETATM 1504 O HOH 176 -0.367 26.633 8.557 1.00 47.00 O HETATM 1505 O HOH 177 29.937 44.438 -8.602 1.00 59.06 O HETATM 1506 O HOH 178 38.449 37.410 -15.119 1.00 54.62 O HETATM 1507 O HOH 179 25.720 41.428 -20.050 1.00 57.21 O HETATM 1508 O HOH 180 16.681 31.321 7.345 1.00 49.49 O HETATM 1509 O HOH 181 17.737 27.886 5.957 1.00 47.47 O HETATM 1510 O HOH 182 16.898 26.330 3.687 1.00 51.06 O HETATM 1511 O HOH 183 11.398 25.674 7.296 1.00 62.37 O HETATM 1512 O HOH 184 9.460 25.469 8.664 1.00 63.43 O HETATM 1513 O HOH 185 9.036 27.400 11.378 1.00 54.65 O HETATM 1514 O HOH 186 4.702 29.474 3.534 1.00 50.58 O HETATM 1515 O HOH 187 5.227 43.783 -11.444 1.00 54.35 O HETATM 1516 O HOH 188 11.371 54.226 0.823 1.00 46.48 O HETATM 1517 O HOH 189 13.280 51.924 4.509 1.00 53.25 O HETATM 1518 O HOH 190 -9.418 39.660 6.418 1.00 42.94 O HETATM 1519 O HOH 191 25.190 46.182 6.236 1.00 50.19 O HETATM 1520 O HOH 192 23.138 40.739 8.870 1.00 56.33 O HETATM 1521 O HOH 193 16.871 51.430 -12.827 1.00 51.55 O HETATM 1522 O HOH 194 -0.989 48.586 -7.707 1.00 61.80 O HETATM 1523 O HOH 195 17.060 33.125 -13.932 1.00 46.82 O HETATM 1524 O HOH 196 26.083 27.755 -13.084 1.00 56.79 O HETATM 1525 O HOH 197 25.964 30.007 -8.042 1.00 52.36 O HETATM 1526 O HOH 198 10.807 32.279 -11.192 1.00 51.00 O HETATM 1527 O HOH 199 4.328 44.436 -8.832 1.00 53.53 O HETATM 1528 O HOH 200 14.604 55.094 -2.071 1.00 53.29 O HETATM 1529 O HOH 201 16.018 50.912 7.943 1.00 56.13 O HETATM 1530 N1 TDR A 202 26.944 45.823 -10.879 1.00 -0.23 N HETATM 1531 C2 TDR A 202 27.145 44.874 -11.815 1.00 0.27 C HETATM 1532 O2 TDR A 202 28.223 44.754 -12.442 1.00 -0.37 O HETATM 1533 N3 TDR A 202 26.214 43.955 -12.100 1.00 -0.19 N HETATM 1534 C4 TDR A 202 25.017 43.948 -11.489 1.00 0.23 C HETATM 1535 O4 TDR A 202 24.222 43.067 -11.877 1.00 -0.38 O HETATM 1536 C5 TDR A 202 24.738 44.988 -10.457 1.00 0.12 C HETATM 1537 CM5 TDR A 202 23.432 45.058 -9.695 1.00 -0.03 C HETATM 1538 H TDR A 202 23.462 45.904 -8.993 1.00 0.03 H HETATM 1539 H TDR A 202 23.284 44.123 -9.135 1.00 0.03 H HETATM 1540 H TDR A 202 22.602 45.198 -10.403 1.00 0.03 H HETATM 1541 C6 TDR A 202 25.765 45.918 -10.204 1.00 0.05 C HETATM 1542 H TDR A 202 25.617 46.710 -9.471 1.00 0.13 H HETATM 1543 H TDR A 202 24.312 45.647 -11.228 1.00 0.08 H HETATM 1544 H TDR A 202 26.415 43.255 -12.786 1.00 0.23 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1530 1531 1541 CONECT 1531 1530 1532 1533 CONECT 1532 1531 CONECT 1533 1531 1534 1544 CONECT 1534 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 1537 1541 1543 CONECT 1537 1536 1538 1539 1540 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1530 1536 1542 CONECT 1542 1541 CONECT 1543 1536 CONECT 1544 1533 MASTER 0 0 0 0 0 0 0 0 1543 1 19 10 END
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Pocket-Ligand
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Related entries of code: 4qsu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6s57
RCSB PDB
PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
RCSB PDB
PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
RCSB PDB
PDBbind
130aa, >6S55_1|Chain... at 100%
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
4tt2
RCSB PDB
PDBbind
130aa, >4TT2_1|Chain... at 100%
4tte
RCSB PDB
PDBbind
130aa, >4TTE_1|Chain... at 100%
4tu4
RCSB PDB
PDBbind
130aa, >4TU4_1|Chain... at 100%
4tyl
RCSB PDB
PDBbind
130aa, >4TYL_1|Chain... at 100%
4tz2
RCSB PDB
PDBbind
130aa, >4TZ2_1|Chain... at 100%
4tz8
RCSB PDB
PDBbind
130aa, >4TZ8_1|Chain... at 100%
5a5o
RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
5a5r
RCSB PDB
PDBbind
130aa, >5A5R_1|Chain... at 100%
5a81
RCSB PDB
PDBbind
130aa, >5A81_1|Chain... at 100%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
5lj0
RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
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
4qsu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
TDR
EC.Number
E.C.3.6.1.3
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=10mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Med.Chem.Comm. Vol. 5: pp. 1843-1848
Ligand Properties
Formula
C
5
H
6
N
2
O
2
Molecular Weight
126.113
Exact Mass
126.043
No. of atoms
15
No. of bonds
15
Polar Surface Area
58.53
LOGP Value
-0.33 (
Computed with XLOGP3
)
-0.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
C[C@H]1C=NC(=O)NC1=O
InChI String
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2-3H,1H3,(H,7,8,9)/t3-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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