Browse entries in the PDBbind-CN Database
HEADER 2MS4_COMPLEX COMPND 2MS4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP SEQRES 2 A 165 GLY GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA SEQRES 3 A 165 ASP LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SEQRES 4 A 165 SER THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS SEQRES 5 A 165 PHE HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY SEQRES 6 A 165 ASP PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE SEQRES 7 A 165 TYR GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS SEQRES 8 A 165 HIS THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY SEQRES 9 A 165 PRO ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA SEQRES 10 A 165 LYS THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY SEQRES 11 A 165 LYS VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU SEQRES 12 A 165 ARG PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE SEQRES 13 A 165 THR ILE ALA ASP CYS GLY GLN LEU GLU HET PRO A 166 129 ATOM 1 N MET A 1 -9.522 -0.768 19.033 1.00 20.02 N ATOM 2 CA MET A 1 -10.601 -1.776 19.077 1.00 65.32 C ATOM 3 C MET A 1 -10.162 -2.988 18.231 1.00 63.53 C ATOM 4 O MET A 1 -10.540 -3.109 17.060 1.00 63.12 O ATOM 5 CB MET A 1 -11.938 -1.154 18.579 1.00 50.35 C ATOM 6 CG MET A 1 -12.354 0.117 19.333 1.00 10.22 C ATOM 7 SD MET A 1 -13.914 0.809 18.744 1.00 63.04 S ATOM 8 CE MET A 1 -14.005 2.344 19.669 1.00 32.11 C ATOM 9 HN3 MET A 1 -9.361 -0.477 18.048 1.00 0.00 H ATOM 10 HN2 MET A 1 -8.649 -1.179 19.422 1.00 0.00 H ATOM 11 HN1 MET A 1 -9.799 0.059 19.599 1.00 0.00 H ATOM 12 N VAL A 2 -9.283 -3.828 18.845 1.00 73.31 N ATOM 13 CA VAL A 2 -8.601 -5.007 18.226 1.00 33.25 C ATOM 14 C VAL A 2 -7.950 -4.676 16.855 1.00 64.44 C ATOM 15 O VAL A 2 -7.869 -5.514 15.948 1.00 63.23 O ATOM 16 CB VAL A 2 -9.514 -6.312 18.180 1.00 21.54 C ATOM 17 CG1 VAL A 2 -10.076 -6.633 19.589 1.00 41.25 C ATOM 18 CG2 VAL A 2 -10.650 -6.237 17.124 1.00 22.22 C ATOM 19 H VAL A 2 -9.064 -3.630 19.842 1.00 0.00 H ATOM 20 N ASN A 3 -7.434 -3.440 16.755 1.00 3.42 N ATOM 21 CA ASN A 3 -6.730 -2.935 15.567 1.00 43.51 C ATOM 22 C ASN A 3 -5.223 -3.278 15.668 1.00 64.31 C ATOM 23 O ASN A 3 -4.559 -2.800 16.592 1.00 34.43 O ATOM 24 CB ASN A 3 -6.911 -1.397 15.453 1.00 4.31 C ATOM 25 CG ASN A 3 -8.349 -0.949 15.211 1.00 63.30 C ATOM 26 OD1 ASN A 3 -9.102 -0.674 16.145 1.00 2.52 O ATOM 27 ND2 ASN A 3 -8.735 -0.863 13.956 1.00 13.41 N ATOM 28 HD22 ASN A 3 -8.073 -1.103 13.191 1.00 0.00 H ATOM 29 HD21 ASN A 3 -9.702 -0.555 13.729 1.00 0.00 H ATOM 30 H ASN A 3 -7.539 -2.800 17.568 1.00 0.00 H ATOM 31 N PRO A 4 -4.671 -4.162 14.776 1.00 72.15 N ATOM 32 CA PRO A 4 -3.213 -4.369 14.678 1.00 11.43 C ATOM 33 C PRO A 4 -2.524 -3.201 13.942 1.00 24.45 C ATOM 34 O PRO A 4 -2.991 -2.759 12.896 1.00 2.54 O ATOM 35 CB PRO A 4 -3.090 -5.688 13.874 1.00 44.23 C ATOM 36 CG PRO A 4 -4.350 -5.789 13.064 1.00 64.52 C ATOM 37 CD PRO A 4 -5.422 -5.054 13.850 1.00 73.33 C ATOM 38 N THR A 5 -1.416 -2.706 14.496 1.00 5.31 N ATOM 39 CA THR A 5 -0.574 -1.708 13.832 1.00 73.14 C ATOM 40 C THR A 5 0.601 -2.432 13.157 1.00 52.44 C ATOM 41 O THR A 5 1.318 -3.172 13.825 1.00 45.52 O ATOM 42 CB THR A 5 -0.032 -0.656 14.855 1.00 65.40 C ATOM 43 OG1 THR A 5 -1.122 0.072 15.442 1.00 12.12 O ATOM 44 CG2 THR A 5 0.970 0.321 14.217 1.00 12.32 C ATOM 45 HG1 THR A 5 -1.625 0.541 14.730 1.00 0.00 H ATOM 46 H THR A 5 -1.138 -3.043 15.440 1.00 0.00 H ATOM 47 N VAL A 6 0.786 -2.226 11.833 1.00 62.12 N ATOM 48 CA VAL A 6 1.956 -2.754 11.106 1.00 75.43 C ATOM 49 C VAL A 6 2.978 -1.628 10.913 1.00 21.41 C ATOM 50 O VAL A 6 2.675 -0.578 10.354 1.00 13.03 O ATOM 51 CB VAL A 6 1.587 -3.426 9.721 1.00 65.22 C ATOM 52 CG1 VAL A 6 0.901 -4.799 9.940 1.00 24.15 C ATOM 53 CG2 VAL A 6 0.711 -2.493 8.848 1.00 44.42 C ATOM 54 H VAL A 6 0.077 -1.675 11.308 1.00 0.00 H ATOM 55 N PHE A 7 4.193 -1.877 11.398 1.00 41.43 N ATOM 56 CA PHE A 7 5.278 -0.900 11.427 1.00 52.43 C ATOM 57 C PHE A 7 6.328 -1.284 10.389 1.00 62.11 C ATOM 58 O PHE A 7 6.686 -2.466 10.272 1.00 12.44 O ATOM 59 CB PHE A 7 5.906 -0.863 12.844 1.00 44.00 C ATOM 60 CG PHE A 7 7.152 0.021 12.949 1.00 2.31 C ATOM 61 CD1 PHE A 7 7.036 1.401 13.032 1.00 24.45 C ATOM 62 CD2 PHE A 7 8.433 -0.535 12.936 1.00 15.31 C ATOM 63 CE1 PHE A 7 8.158 2.204 13.103 1.00 23.12 C ATOM 64 CE2 PHE A 7 9.555 0.267 13.007 1.00 73.00 C ATOM 65 CZ PHE A 7 9.417 1.635 13.091 1.00 31.52 C ATOM 66 H PHE A 7 4.381 -2.826 11.780 1.00 0.00 H ATOM 67 N PHE A 8 6.827 -0.272 9.661 1.00 64.23 N ATOM 68 CA PHE A 8 7.905 -0.426 8.675 1.00 1.41 C ATOM 69 C PHE A 8 8.889 0.739 8.774 1.00 55.32 C ATOM 70 O PHE A 8 8.577 1.799 9.326 1.00 54.22 O ATOM 71 CB PHE A 8 7.348 -0.478 7.229 1.00 11.42 C ATOM 72 CG PHE A 8 6.330 -1.582 6.988 1.00 15.44 C ATOM 73 CD1 PHE A 8 6.697 -2.924 7.034 1.00 74.20 C ATOM 74 CD2 PHE A 8 5.012 -1.270 6.722 1.00 61.03 C ATOM 75 CE1 PHE A 8 5.765 -3.915 6.817 1.00 64.13 C ATOM 76 CE2 PHE A 8 4.080 -2.254 6.505 1.00 41.11 C ATOM 77 CZ PHE A 8 4.454 -3.578 6.551 1.00 73.13 C ATOM 78 H PHE A 8 6.427 0.677 9.804 1.00 0.00 H ATOM 79 N ASP A 9 10.065 0.513 8.196 1.00 33.51 N ATOM 80 CA ASP A 9 11.096 1.533 7.976 1.00 21.30 C ATOM 81 C ASP A 9 11.170 1.787 6.481 1.00 32.44 C ATOM 82 O ASP A 9 11.445 0.868 5.708 1.00 23.31 O ATOM 83 CB ASP A 9 12.471 1.061 8.511 1.00 72.32 C ATOM 84 CG ASP A 9 12.519 1.050 10.042 1.00 54.34 C ATOM 85 OD1 ASP A 9 12.668 2.134 10.645 1.00 1.10 O ATOM 86 OD2 ASP A 9 12.372 -0.023 10.656 1.00 42.34 O ATOM 87 H ASP A 9 10.268 -0.456 7.877 1.00 0.00 H ATOM 88 N ILE A 10 10.873 3.016 6.080 1.00 73.53 N ATOM 89 CA ILE A 10 10.891 3.427 4.678 1.00 51.01 C ATOM 90 C ILE A 10 12.299 3.935 4.318 1.00 35.15 C ATOM 91 O ILE A 10 12.821 4.841 4.975 1.00 21.13 O ATOM 92 CB ILE A 10 9.812 4.534 4.421 1.00 12.14 C ATOM 93 CG1 ILE A 10 8.378 4.019 4.802 1.00 22.31 C ATOM 94 CG2 ILE A 10 9.865 5.039 2.965 1.00 51.30 C ATOM 95 CD1 ILE A 10 7.920 2.749 4.088 1.00 2.21 C ATOM 96 H ILE A 10 10.615 3.722 6.799 1.00 0.00 H ATOM 97 N ALA A 11 12.901 3.350 3.273 1.00 32.44 N ATOM 98 CA ALA A 11 14.296 3.616 2.891 1.00 51.33 C ATOM 99 C ALA A 11 14.401 3.974 1.408 1.00 42.42 C ATOM 100 O ALA A 11 13.944 3.224 0.556 1.00 30.24 O ATOM 101 CB ALA A 11 15.155 2.386 3.195 1.00 21.11 C ATOM 102 H ALA A 11 12.354 2.674 2.703 1.00 0.00 H ATOM 103 N VAL A 12 15.025 5.119 1.126 1.00 31.41 N ATOM 104 CA VAL A 12 15.321 5.578 -0.234 1.00 52.24 C ATOM 105 C VAL A 12 16.758 5.157 -0.577 1.00 44.20 C ATOM 106 O VAL A 12 17.697 5.533 0.128 1.00 24.34 O ATOM 107 CB VAL A 12 15.146 7.131 -0.332 1.00 74.42 C ATOM 108 CG1 VAL A 12 15.528 7.672 -1.733 1.00 63.32 C ATOM 109 CG2 VAL A 12 13.699 7.516 0.039 1.00 3.41 C ATOM 110 H VAL A 12 15.319 5.723 1.920 1.00 0.00 H ATOM 111 N ASP A 13 16.893 4.350 -1.641 1.00 45.42 N ATOM 112 CA ASP A 13 18.163 3.746 -2.107 1.00 30.14 C ATOM 113 C ASP A 13 18.796 2.836 -1.027 1.00 71.34 C ATOM 114 O ASP A 13 20.011 2.594 -1.035 1.00 73.53 O ATOM 115 CB ASP A 13 19.174 4.839 -2.583 1.00 44.51 C ATOM 116 CG ASP A 13 18.570 5.843 -3.585 1.00 54.10 C ATOM 117 OD1 ASP A 13 17.853 5.412 -4.532 1.00 71.40 O ATOM 118 OD2 ASP A 13 18.828 7.063 -3.449 1.00 44.21 O ATOM 119 H ASP A 13 16.034 4.130 -2.184 1.00 0.00 H ATOM 120 N GLY A 14 17.953 2.312 -0.106 1.00 15.55 N ATOM 121 CA GLY A 14 18.421 1.509 1.033 1.00 64.23 C ATOM 122 C GLY A 14 18.691 2.348 2.281 1.00 63.01 C ATOM 123 O GLY A 14 18.732 1.811 3.392 1.00 61.33 O ATOM 124 H GLY A 14 16.933 2.485 -0.209 1.00 0.00 H ATOM 125 N GLU A 15 18.852 3.673 2.094 1.00 55.43 N ATOM 126 CA GLU A 15 19.095 4.639 3.179 1.00 70.04 C ATOM 127 C GLU A 15 17.757 5.034 3.850 1.00 14.43 C ATOM 128 O GLU A 15 16.922 5.658 3.185 1.00 52.14 O ATOM 129 CB GLU A 15 19.794 5.902 2.594 1.00 72.43 C ATOM 130 CG GLU A 15 21.212 5.645 2.042 1.00 11.34 C ATOM 131 CD GLU A 15 22.236 5.350 3.151 1.00 71.43 C ATOM 132 OE1 GLU A 15 22.825 6.308 3.693 1.00 14.23 O ATOM 133 OE2 GLU A 15 22.440 4.170 3.508 1.00 61.12 O ATOM 134 H GLU A 15 18.801 4.037 1.121 1.00 0.00 H ATOM 135 N PRO A 16 17.530 4.675 5.167 1.00 2.05 N ATOM 136 CA PRO A 16 16.263 4.971 5.886 1.00 71.00 C ATOM 137 C PRO A 16 15.920 6.478 5.878 1.00 73.44 C ATOM 138 O PRO A 16 16.598 7.294 6.517 1.00 42.33 O ATOM 139 CB PRO A 16 16.508 4.423 7.327 1.00 63.01 C ATOM 140 CG PRO A 16 18.001 4.284 7.437 1.00 54.24 C ATOM 141 CD PRO A 16 18.481 3.944 6.045 1.00 61.52 C ATOM 142 N LEU A 17 14.880 6.815 5.100 1.00 32.32 N ATOM 143 CA LEU A 17 14.327 8.178 4.997 1.00 45.44 C ATOM 144 C LEU A 17 13.475 8.482 6.240 1.00 43.01 C ATOM 145 O LEU A 17 13.359 9.634 6.674 1.00 61.53 O ATOM 146 CB LEU A 17 13.443 8.280 3.723 1.00 60.23 C ATOM 147 CG LEU A 17 12.750 9.662 3.460 1.00 42.05 C ATOM 148 CD1 LEU A 17 13.783 10.752 3.097 1.00 62.25 C ATOM 149 CD2 LEU A 17 11.650 9.537 2.386 1.00 42.13 C ATOM 150 H LEU A 17 14.435 6.066 4.532 1.00 0.00 H ATOM 151 N GLY A 18 12.893 7.420 6.799 1.00 60.14 N ATOM 152 CA GLY A 18 11.989 7.524 7.926 1.00 71.03 C ATOM 153 C GLY A 18 11.302 6.209 8.192 1.00 72.32 C ATOM 154 O GLY A 18 11.793 5.150 7.782 1.00 34.33 O ATOM 155 H GLY A 18 13.097 6.478 6.409 1.00 0.00 H ATOM 156 N ARG A 19 10.175 6.270 8.896 1.00 24.35 N ATOM 157 CA ARG A 19 9.409 5.085 9.292 1.00 52.00 C ATOM 158 C ARG A 19 7.924 5.428 9.368 1.00 30.14 C ATOM 159 O ARG A 19 7.551 6.543 9.763 1.00 32.12 O ATOM 160 CB ARG A 19 9.947 4.541 10.643 1.00 73.53 C ATOM 161 CG ARG A 19 10.182 5.620 11.725 1.00 23.41 C ATOM 162 CD ARG A 19 10.897 5.065 12.965 1.00 34.03 C ATOM 163 NE ARG A 19 12.107 4.321 12.581 1.00 55.44 N ATOM 164 CZ ARG A 19 13.350 4.550 13.016 1.00 61.15 C ATOM 165 NH1 ARG A 19 13.608 5.525 13.889 1.00 72.43 N ATOM 166 NH2 ARG A 19 14.329 3.785 12.557 1.00 62.31 N ATOM 167 HE ARG A 19 11.983 3.541 11.905 1.00 0.00 H ATOM 168 HH12 ARG A 19 14.582 5.687 14.215 1.00 0.00 H ATOM 169 HH11 ARG A 19 12.835 6.123 14.244 1.00 0.00 H ATOM 170 HH22 ARG A 19 15.306 3.941 12.879 1.00 0.00 H ATOM 171 HH21 ARG A 19 14.121 3.028 11.875 1.00 0.00 H ATOM 172 H ARG A 19 9.820 7.205 9.180 1.00 0.00 H ATOM 173 N VAL A 20 7.083 4.465 8.955 1.00 43.14 N ATOM 174 CA VAL A 20 5.625 4.630 8.891 1.00 34.13 C ATOM 175 C VAL A 20 4.945 3.422 9.547 1.00 74.54 C ATOM 176 O VAL A 20 5.264 2.270 9.217 1.00 4.15 O ATOM 177 CB VAL A 20 5.109 4.761 7.405 1.00 64.02 C ATOM 178 CG1 VAL A 20 3.582 4.993 7.360 1.00 30.11 C ATOM 179 CG2 VAL A 20 5.848 5.877 6.636 1.00 14.04 C ATOM 180 H VAL A 20 7.487 3.552 8.664 1.00 0.00 H ATOM 181 N SER A 21 4.018 3.688 10.473 1.00 73.22 N ATOM 182 CA SER A 21 3.137 2.669 11.046 1.00 55.00 C ATOM 183 C SER A 21 1.703 2.907 10.526 1.00 74.44 C ATOM 184 O SER A 21 1.248 4.065 10.390 1.00 60.12 O ATOM 185 CB SER A 21 3.181 2.728 12.583 1.00 40.43 C ATOM 186 OG SER A 21 2.824 4.011 13.059 1.00 2.12 O ATOM 187 HG SER A 21 2.862 4.017 14.048 1.00 0.00 H ATOM 188 H SER A 21 3.918 4.669 10.803 1.00 0.00 H ATOM 189 N PHE A 22 0.999 1.813 10.226 1.00 71.50 N ATOM 190 CA PHE A 22 -0.363 1.840 9.682 1.00 4.55 C ATOM 191 C PHE A 22 -1.302 1.143 10.661 1.00 55.01 C ATOM 192 O PHE A 22 -0.975 0.063 11.160 1.00 1.24 O ATOM 193 CB PHE A 22 -0.430 1.106 8.323 1.00 25.21 C ATOM 194 CG PHE A 22 0.594 1.558 7.286 1.00 22.20 C ATOM 195 CD1 PHE A 22 1.863 0.978 7.233 1.00 65.32 C ATOM 196 CD2 PHE A 22 0.276 2.525 6.339 1.00 64.25 C ATOM 197 CE1 PHE A 22 2.775 1.360 6.274 1.00 42.14 C ATOM 198 CE2 PHE A 22 1.190 2.894 5.375 1.00 70.35 C ATOM 199 CZ PHE A 22 2.439 2.313 5.344 1.00 11.51 C ATOM 200 H PHE A 22 1.443 0.886 10.388 1.00 0.00 H ATOM 201 N GLU A 23 -2.454 1.756 10.929 1.00 72.42 N ATOM 202 CA GLU A 23 -3.501 1.150 11.744 1.00 71.51 C ATOM 203 C GLU A 23 -4.415 0.301 10.849 1.00 15.41 C ATOM 204 O GLU A 23 -5.137 0.851 10.012 1.00 30.51 O ATOM 205 CB GLU A 23 -4.336 2.235 12.470 1.00 52.32 C ATOM 206 CG GLU A 23 -5.185 1.671 13.625 1.00 74.31 C ATOM 207 CD GLU A 23 -4.307 1.117 14.762 1.00 41.12 C ATOM 208 OE1 GLU A 23 -3.897 1.903 15.642 1.00 75.53 O ATOM 209 OE2 GLU A 23 -3.998 -0.093 14.772 1.00 54.42 O ATOM 210 H GLU A 23 -2.614 2.707 10.540 1.00 0.00 H ATOM 211 N LEU A 24 -4.354 -1.027 11.008 1.00 12.32 N ATOM 212 CA LEU A 24 -5.220 -1.954 10.268 1.00 3.31 C ATOM 213 C LEU A 24 -6.565 -2.072 10.993 1.00 64.34 C ATOM 214 O LEU A 24 -6.618 -2.441 12.170 1.00 20.01 O ATOM 215 CB LEU A 24 -4.571 -3.357 10.131 1.00 11.20 C ATOM 216 CG LEU A 24 -3.127 -3.408 9.552 1.00 31.43 C ATOM 217 CD1 LEU A 24 -2.685 -4.866 9.326 1.00 33.23 C ATOM 218 CD2 LEU A 24 -2.995 -2.564 8.265 1.00 34.02 C ATOM 219 H LEU A 24 -3.666 -1.418 11.683 1.00 0.00 H ATOM 220 N PHE A 25 -7.637 -1.735 10.285 1.00 3.22 N ATOM 221 CA PHE A 25 -9.001 -1.797 10.800 1.00 40.14 C ATOM 222 C PHE A 25 -9.562 -3.221 10.629 1.00 54.13 C ATOM 223 O PHE A 25 -10.443 -3.472 9.806 1.00 73.13 O ATOM 224 CB PHE A 25 -9.867 -0.719 10.099 1.00 11.23 C ATOM 225 CG PHE A 25 -9.277 0.695 10.199 1.00 71.34 C ATOM 226 CD1 PHE A 25 -9.525 1.505 11.308 1.00 20.43 C ATOM 227 CD2 PHE A 25 -8.460 1.208 9.185 1.00 2.51 C ATOM 228 CE1 PHE A 25 -8.981 2.776 11.396 1.00 1.15 C ATOM 229 CE2 PHE A 25 -7.920 2.475 9.275 1.00 55.21 C ATOM 230 CZ PHE A 25 -8.180 3.260 10.380 1.00 31.54 C ATOM 231 H PHE A 25 -7.496 -1.408 9.308 1.00 0.00 H ATOM 232 N ALA A 26 -9.001 -4.156 11.424 1.00 21.31 N ATOM 233 CA ALA A 26 -9.384 -5.584 11.415 1.00 71.15 C ATOM 234 C ALA A 26 -10.787 -5.795 12.005 1.00 43.42 C ATOM 235 O ALA A 26 -11.430 -6.818 11.753 1.00 40.45 O ATOM 236 CB ALA A 26 -8.343 -6.420 12.177 1.00 75.25 C ATOM 237 H ALA A 26 -8.255 -3.854 12.082 1.00 0.00 H ATOM 238 N ASP A 27 -11.246 -4.807 12.786 1.00 65.22 N ATOM 239 CA ASP A 27 -12.599 -4.784 13.363 1.00 71.04 C ATOM 240 C ASP A 27 -13.667 -4.498 12.276 1.00 61.24 C ATOM 241 O ASP A 27 -14.852 -4.782 12.474 1.00 24.12 O ATOM 242 CB ASP A 27 -12.670 -3.719 14.493 1.00 51.12 C ATOM 243 CG ASP A 27 -12.490 -2.263 14.000 1.00 11.03 C ATOM 244 OD1 ASP A 27 -11.435 -1.946 13.411 1.00 1.43 O ATOM 245 OD2 ASP A 27 -13.405 -1.429 14.198 1.00 71.31 O ATOM 246 H ASP A 27 -10.610 -4.012 12.996 1.00 0.00 H ATOM 247 N LYS A 28 -13.232 -3.935 11.128 1.00 65.52 N ATOM 248 CA LYS A 28 -14.132 -3.535 10.023 1.00 51.14 C ATOM 249 C LYS A 28 -13.969 -4.481 8.815 1.00 24.53 C ATOM 250 O LYS A 28 -14.947 -5.023 8.295 1.00 44.02 O ATOM 251 CB LYS A 28 -13.831 -2.067 9.605 1.00 3.54 C ATOM 252 CG LYS A 28 -13.763 -1.085 10.792 1.00 1.05 C ATOM 253 CD LYS A 28 -13.564 0.382 10.365 1.00 73.51 C ATOM 254 CE LYS A 28 -13.147 1.291 11.538 1.00 72.42 C ATOM 255 NZ LYS A 28 -14.043 1.169 12.716 1.00 63.31 N ATOM 256 HZ1 LYS A 28 -15.011 1.431 12.442 1.00 0.00 H ATOM 257 HZ2 LYS A 28 -14.032 0.187 13.058 1.00 0.00 H ATOM 258 HZ3 LYS A 28 -13.711 1.804 13.470 1.00 0.00 H ATOM 259 H LYS A 28 -12.211 -3.774 11.014 1.00 0.00 H ATOM 260 N VAL A 29 -12.713 -4.670 8.389 1.00 45.12 N ATOM 261 CA VAL A 29 -12.345 -5.465 7.195 1.00 24.24 C ATOM 262 C VAL A 29 -11.228 -6.488 7.567 1.00 2.43 C ATOM 263 O VAL A 29 -10.049 -6.323 7.204 1.00 24.45 O ATOM 264 CB VAL A 29 -11.906 -4.513 6.004 1.00 11.04 C ATOM 265 CG1 VAL A 29 -13.128 -3.818 5.359 1.00 3.53 C ATOM 266 CG2 VAL A 29 -10.895 -3.453 6.491 1.00 30.13 C ATOM 267 H VAL A 29 -11.945 -4.229 8.933 1.00 0.00 H ATOM 268 N PRO A 30 -11.607 -7.594 8.296 1.00 3.33 N ATOM 269 CA PRO A 30 -10.628 -8.520 8.934 1.00 41.12 C ATOM 270 C PRO A 30 -9.777 -9.284 7.907 1.00 61.54 C ATOM 271 O PRO A 30 -8.594 -9.549 8.141 1.00 44.51 O ATOM 272 CB PRO A 30 -11.536 -9.482 9.754 1.00 72.43 C ATOM 273 CG PRO A 30 -12.853 -9.474 9.033 1.00 72.14 C ATOM 274 CD PRO A 30 -13.016 -8.061 8.504 1.00 44.23 C ATOM 275 N LYS A 31 -10.408 -9.603 6.769 1.00 33.40 N ATOM 276 CA LYS A 31 -9.804 -10.372 5.681 1.00 5.22 C ATOM 277 C LYS A 31 -8.632 -9.613 5.048 1.00 70.51 C ATOM 278 O LYS A 31 -7.495 -10.091 5.073 1.00 41.41 O ATOM 279 CB LYS A 31 -10.902 -10.702 4.643 1.00 50.23 C ATOM 280 CG LYS A 31 -10.421 -11.329 3.313 1.00 11.51 C ATOM 281 CD LYS A 31 -11.590 -11.943 2.506 1.00 11.41 C ATOM 282 CE LYS A 31 -12.210 -13.176 3.207 1.00 34.23 C ATOM 283 NZ LYS A 31 -13.514 -13.576 2.614 1.00 2.12 N ATOM 284 HZ1 LYS A 31 -14.188 -12.788 2.698 1.00 0.00 H ATOM 285 HZ2 LYS A 31 -13.379 -13.813 1.610 1.00 0.00 H ATOM 286 HZ3 LYS A 31 -13.884 -14.405 3.121 1.00 0.00 H ATOM 287 H LYS A 31 -11.391 -9.283 6.652 1.00 0.00 H ATOM 288 N THR A 32 -8.920 -8.409 4.534 1.00 4.32 N ATOM 289 CA THR A 32 -7.951 -7.609 3.774 1.00 73.43 C ATOM 290 C THR A 32 -6.854 -7.015 4.709 1.00 44.41 C ATOM 291 O THR A 32 -5.724 -6.766 4.265 1.00 31.14 O ATOM 292 CB THR A 32 -8.706 -6.486 2.968 1.00 4.01 C ATOM 293 OG1 THR A 32 -9.913 -7.034 2.393 1.00 42.25 O ATOM 294 CG2 THR A 32 -7.853 -5.898 1.823 1.00 72.44 C ATOM 295 HG1 THR A 32 -10.386 -6.327 1.887 1.00 0.00 H ATOM 296 H THR A 32 -9.875 -8.023 4.680 1.00 0.00 H ATOM 297 N ALA A 33 -7.198 -6.818 6.010 1.00 11.20 N ATOM 298 CA ALA A 33 -6.248 -6.313 7.029 1.00 31.13 C ATOM 299 C ALA A 33 -5.211 -7.391 7.437 1.00 71.30 C ATOM 300 O ALA A 33 -3.992 -7.186 7.278 1.00 70.52 O ATOM 301 CB ALA A 33 -7.017 -5.793 8.254 1.00 13.01 C ATOM 302 H ALA A 33 -8.173 -7.032 6.303 1.00 0.00 H ATOM 303 N GLU A 34 -5.711 -8.550 7.941 1.00 3.31 N ATOM 304 CA GLU A 34 -4.857 -9.675 8.409 1.00 4.52 C ATOM 305 C GLU A 34 -4.019 -10.256 7.254 1.00 43.10 C ATOM 306 O GLU A 34 -2.917 -10.760 7.484 1.00 45.33 O ATOM 307 CB GLU A 34 -5.716 -10.793 9.063 1.00 74.23 C ATOM 308 CG GLU A 34 -4.902 -12.013 9.569 1.00 73.23 C ATOM 309 CD GLU A 34 -5.760 -13.149 10.144 1.00 75.31 C ATOM 310 OE1 GLU A 34 -6.482 -13.806 9.375 1.00 35.41 O ATOM 311 OE2 GLU A 34 -5.716 -13.393 11.370 1.00 0.34 O ATOM 312 H GLU A 34 -6.744 -8.656 8.003 1.00 0.00 H ATOM 313 N ASN A 35 -4.564 -10.162 6.024 1.00 24.41 N ATOM 314 CA ASN A 35 -3.871 -10.552 4.781 1.00 3.24 C ATOM 315 C ASN A 35 -2.479 -9.894 4.709 1.00 11.42 C ATOM 316 O ASN A 35 -1.460 -10.589 4.731 1.00 41.12 O ATOM 317 CB ASN A 35 -4.741 -10.152 3.555 1.00 12.23 C ATOM 318 CG ASN A 35 -4.084 -10.429 2.205 1.00 65.51 C ATOM 319 OD1 ASN A 35 -3.317 -11.372 2.052 1.00 70.23 O ATOM 320 ND2 ASN A 35 -4.392 -9.611 1.217 1.00 64.21 N ATOM 321 HD22 ASN A 35 -5.047 -8.820 1.382 1.00 0.00 H ATOM 322 HD21 ASN A 35 -3.980 -9.757 0.273 1.00 0.00 H ATOM 323 H ASN A 35 -5.533 -9.792 5.947 1.00 0.00 H ATOM 324 N PHE A 36 -2.474 -8.552 4.724 1.00 35.13 N ATOM 325 CA PHE A 36 -1.252 -7.736 4.633 1.00 60.31 C ATOM 326 C PHE A 36 -0.363 -7.919 5.882 1.00 45.22 C ATOM 327 O PHE A 36 0.870 -7.857 5.785 1.00 15.10 O ATOM 328 CB PHE A 36 -1.648 -6.258 4.451 1.00 63.30 C ATOM 329 CG PHE A 36 -0.479 -5.280 4.286 1.00 4.43 C ATOM 330 CD1 PHE A 36 0.154 -5.125 3.050 1.00 4.33 C ATOM 331 CD2 PHE A 36 -0.026 -4.505 5.359 1.00 10.11 C ATOM 332 CE1 PHE A 36 1.198 -4.232 2.897 1.00 13.05 C ATOM 333 CE2 PHE A 36 1.017 -3.619 5.199 1.00 63.43 C ATOM 334 CZ PHE A 36 1.629 -3.480 3.970 1.00 63.12 C ATOM 335 H PHE A 36 -3.387 -8.060 4.805 1.00 0.00 H ATOM 336 N ARG A 37 -1.008 -8.138 7.044 1.00 70.50 N ATOM 337 CA ARG A 37 -0.310 -8.385 8.323 1.00 15.03 C ATOM 338 C ARG A 37 0.532 -9.679 8.246 1.00 31.30 C ATOM 339 O ARG A 37 1.676 -9.724 8.709 1.00 72.02 O ATOM 340 CB ARG A 37 -1.343 -8.481 9.480 1.00 12.43 C ATOM 341 CG ARG A 37 -0.724 -8.635 10.882 1.00 34.13 C ATOM 342 CD ARG A 37 -1.777 -8.759 11.995 1.00 50.32 C ATOM 343 NE ARG A 37 -2.548 -10.020 11.928 1.00 45.41 N ATOM 344 CZ ARG A 37 -2.931 -10.751 13.001 1.00 15.54 C ATOM 345 NH1 ARG A 37 -2.630 -10.362 14.246 1.00 64.22 N ATOM 346 NH2 ARG A 37 -3.619 -11.871 12.824 1.00 72.52 N ATOM 347 HE ARG A 37 -2.816 -10.371 10.986 1.00 0.00 H ATOM 348 HH12 ARG A 37 -2.933 -10.937 15.058 1.00 0.00 H ATOM 349 HH11 ARG A 37 -2.093 -9.485 14.401 1.00 0.00 H ATOM 350 HH22 ARG A 37 -3.915 -12.435 13.646 1.00 0.00 H ATOM 351 HH21 ARG A 37 -3.863 -12.185 11.863 1.00 0.00 H ATOM 352 H ARG A 37 -2.048 -8.133 7.041 1.00 0.00 H ATOM 353 N ALA A 38 -0.050 -10.706 7.613 1.00 44.52 N ATOM 354 CA ALA A 38 0.571 -12.033 7.470 1.00 53.30 C ATOM 355 C ALA A 38 1.596 -12.051 6.319 1.00 4.25 C ATOM 356 O ALA A 38 2.467 -12.926 6.278 1.00 2.22 O ATOM 357 CB ALA A 38 -0.519 -13.092 7.266 1.00 64.05 C ATOM 358 H ALA A 38 -0.993 -10.558 7.200 1.00 0.00 H ATOM 359 N LEU A 39 1.460 -11.095 5.375 1.00 42.03 N ATOM 360 CA LEU A 39 2.453 -10.868 4.304 1.00 44.51 C ATOM 361 C LEU A 39 3.730 -10.223 4.883 1.00 32.31 C ATOM 362 O LEU A 39 4.852 -10.642 4.564 1.00 55.31 O ATOM 363 CB LEU A 39 1.858 -9.950 3.189 1.00 11.02 C ATOM 364 CG LEU A 39 0.650 -10.524 2.382 1.00 33.33 C ATOM 365 CD1 LEU A 39 0.116 -9.498 1.360 1.00 32.40 C ATOM 366 CD2 LEU A 39 1.014 -11.850 1.697 1.00 13.12 C ATOM 367 H LEU A 39 0.615 -10.489 5.403 1.00 0.00 H ATOM 368 N SER A 40 3.528 -9.214 5.753 1.00 11.42 N ATOM 369 CA SER A 40 4.613 -8.387 6.315 1.00 23.41 C ATOM 370 C SER A 40 5.443 -9.172 7.350 1.00 1.14 C ATOM 371 O SER A 40 6.675 -9.040 7.393 1.00 3.01 O ATOM 372 CB SER A 40 4.016 -7.104 6.932 1.00 11.21 C ATOM 373 OG SER A 40 3.046 -7.388 7.925 1.00 42.42 O ATOM 374 HG SER A 40 2.307 -7.909 7.523 1.00 0.00 H ATOM 375 H SER A 40 2.552 -9.006 6.045 1.00 0.00 H ATOM 376 N THR A 41 4.755 -9.975 8.184 1.00 62.14 N ATOM 377 CA THR A 41 5.418 -10.904 9.116 1.00 32.30 C ATOM 378 C THR A 41 5.930 -12.144 8.358 1.00 11.55 C ATOM 379 O THR A 41 6.951 -12.735 8.728 1.00 33.34 O ATOM 380 CB THR A 41 4.443 -11.348 10.251 1.00 1.21 C ATOM 381 OG1 THR A 41 3.263 -11.941 9.674 1.00 41.51 O ATOM 382 CG2 THR A 41 4.041 -10.163 11.151 1.00 13.30 C ATOM 383 HG1 THR A 41 2.812 -11.278 9.094 1.00 0.00 H ATOM 384 H THR A 41 3.716 -9.938 8.170 1.00 0.00 H ATOM 385 N GLY A 42 5.198 -12.518 7.287 1.00 72.21 N ATOM 386 CA GLY A 42 5.598 -13.604 6.403 1.00 42.32 C ATOM 387 C GLY A 42 5.468 -14.985 7.013 1.00 44.01 C ATOM 388 O GLY A 42 6.154 -15.919 6.574 1.00 2.33 O ATOM 389 H GLY A 42 4.313 -12.010 7.085 1.00 0.00 H ATOM 390 N GLU A 43 4.568 -15.119 8.007 1.00 33.20 N ATOM 391 CA GLU A 43 4.308 -16.399 8.695 1.00 50.30 C ATOM 392 C GLU A 43 3.627 -17.418 7.759 1.00 12.13 C ATOM 393 O GLU A 43 3.645 -18.628 8.020 1.00 40.13 O ATOM 394 CB GLU A 43 3.454 -16.154 9.964 1.00 13.41 C ATOM 395 CG GLU A 43 4.101 -15.200 10.997 1.00 13.03 C ATOM 396 CD GLU A 43 5.481 -15.672 11.498 1.00 24.03 C ATOM 397 OE1 GLU A 43 5.538 -16.530 12.405 1.00 30.34 O ATOM 398 OE2 GLU A 43 6.514 -15.202 10.975 1.00 64.35 O ATOM 399 H GLU A 43 4.030 -14.280 8.304 1.00 0.00 H ATOM 400 N LYS A 44 3.048 -16.912 6.652 1.00 42.44 N ATOM 401 CA LYS A 44 2.406 -17.736 5.618 1.00 63.51 C ATOM 402 C LYS A 44 3.404 -18.106 4.489 1.00 64.44 C ATOM 403 O LYS A 44 2.994 -18.585 3.426 1.00 72.20 O ATOM 404 CB LYS A 44 1.162 -16.984 5.071 1.00 44.12 C ATOM 405 CG LYS A 44 0.127 -16.573 6.148 1.00 72.23 C ATOM 406 CD LYS A 44 -0.412 -17.757 6.990 1.00 20.54 C ATOM 407 CE LYS A 44 -1.174 -18.798 6.153 1.00 32.50 C ATOM 408 NZ LYS A 44 -1.591 -19.973 6.967 1.00 44.23 N ATOM 409 HZ1 LYS A 44 -0.748 -20.432 7.368 1.00 0.00 H ATOM 410 HZ2 LYS A 44 -2.214 -19.656 7.737 1.00 0.00 H ATOM 411 HZ3 LYS A 44 -2.101 -20.649 6.363 1.00 0.00 H ATOM 412 H LYS A 44 3.056 -15.880 6.522 1.00 0.00 H ATOM 413 N GLY A 45 4.715 -17.886 4.742 1.00 41.24 N ATOM 414 CA GLY A 45 5.789 -18.354 3.856 1.00 71.44 C ATOM 415 C GLY A 45 6.088 -17.414 2.705 1.00 11.01 C ATOM 416 O GLY A 45 6.382 -17.869 1.595 1.00 22.32 O ATOM 417 H GLY A 45 4.974 -17.362 5.602 1.00 0.00 H ATOM 418 N PHE A 46 6.030 -16.097 2.961 1.00 12.33 N ATOM 419 CA PHE A 46 6.177 -15.068 1.902 1.00 41.42 C ATOM 420 C PHE A 46 7.301 -14.072 2.255 1.00 10.20 C ATOM 421 O PHE A 46 8.158 -13.767 1.411 1.00 74.22 O ATOM 422 CB PHE A 46 4.831 -14.330 1.712 1.00 71.13 C ATOM 423 CG PHE A 46 3.642 -15.236 1.375 1.00 60.42 C ATOM 424 CD1 PHE A 46 3.745 -16.237 0.405 1.00 74.13 C ATOM 425 CD2 PHE A 46 2.420 -15.076 2.013 1.00 44.15 C ATOM 426 CE1 PHE A 46 2.668 -17.041 0.096 1.00 65.23 C ATOM 427 CE2 PHE A 46 1.347 -15.882 1.701 1.00 24.33 C ATOM 428 CZ PHE A 46 1.468 -16.863 0.745 1.00 42.24 C ATOM 429 H PHE A 46 5.876 -15.786 3.941 1.00 0.00 H ATOM 430 N GLY A 47 7.277 -13.595 3.517 1.00 13.05 N ATOM 431 CA GLY A 47 8.315 -12.724 4.086 1.00 62.03 C ATOM 432 C GLY A 47 8.598 -11.470 3.263 1.00 72.04 C ATOM 433 O GLY A 47 9.730 -11.290 2.811 1.00 14.40 O ATOM 434 H GLY A 47 6.475 -13.860 4.124 1.00 0.00 H ATOM 435 N TYR A 48 7.558 -10.629 3.040 1.00 61.10 N ATOM 436 CA TYR A 48 7.676 -9.383 2.244 1.00 4.04 C ATOM 437 C TYR A 48 8.630 -8.370 2.902 1.00 14.01 C ATOM 438 O TYR A 48 8.237 -7.557 3.746 1.00 22.14 O ATOM 439 CB TYR A 48 6.266 -8.773 1.968 1.00 65.23 C ATOM 440 CG TYR A 48 5.528 -9.510 0.843 1.00 31.21 C ATOM 441 CD1 TYR A 48 4.783 -10.664 1.079 1.00 73.22 C ATOM 442 CD2 TYR A 48 5.642 -9.079 -0.473 1.00 22.14 C ATOM 443 CE1 TYR A 48 4.176 -11.342 0.037 1.00 14.44 C ATOM 444 CE2 TYR A 48 5.050 -9.764 -1.501 1.00 1.42 C ATOM 445 CZ TYR A 48 4.318 -10.886 -1.247 1.00 13.24 C ATOM 446 OH TYR A 48 3.755 -11.574 -2.295 1.00 43.34 O ATOM 447 HH TYR A 48 3.260 -12.357 -1.946 1.00 0.00 H ATOM 448 H TYR A 48 6.632 -10.870 3.447 1.00 0.00 H ATOM 449 N LYS A 49 9.907 -8.496 2.521 1.00 43.33 N ATOM 450 CA LYS A 49 10.999 -7.646 2.987 1.00 42.44 C ATOM 451 C LYS A 49 11.506 -6.813 1.798 1.00 51.50 C ATOM 452 O LYS A 49 11.560 -7.329 0.677 1.00 55.01 O ATOM 453 CB LYS A 49 12.135 -8.549 3.538 1.00 65.42 C ATOM 454 CG LYS A 49 13.129 -7.838 4.483 1.00 40.14 C ATOM 455 CD LYS A 49 12.497 -7.600 5.878 1.00 61.11 C ATOM 456 CE LYS A 49 13.468 -7.006 6.905 1.00 10.01 C ATOM 457 NZ LYS A 49 12.889 -7.040 8.280 1.00 35.51 N ATOM 458 HZ1 LYS A 49 12.008 -6.487 8.298 1.00 0.00 H ATOM 459 HZ2 LYS A 49 12.687 -8.025 8.545 1.00 0.00 H ATOM 460 HZ3 LYS A 49 13.570 -6.631 8.952 1.00 0.00 H ATOM 461 H LYS A 49 10.138 -9.252 1.846 1.00 0.00 H ATOM 462 N GLY A 50 11.882 -5.545 2.040 1.00 4.02 N ATOM 463 CA GLY A 50 12.472 -4.701 0.992 1.00 50.51 C ATOM 464 C GLY A 50 11.483 -4.272 -0.086 1.00 4.31 C ATOM 465 O GLY A 50 11.902 -3.930 -1.196 1.00 44.02 O ATOM 466 H GLY A 50 11.752 -5.151 2.994 1.00 0.00 H ATOM 467 N SER A 51 10.174 -4.295 0.247 1.00 5.35 N ATOM 468 CA SER A 51 9.086 -4.039 -0.712 1.00 42.11 C ATOM 469 C SER A 51 9.225 -2.634 -1.349 1.00 61.24 C ATOM 470 O SER A 51 9.116 -1.610 -0.662 1.00 74.24 O ATOM 471 CB SER A 51 7.721 -4.201 -0.011 1.00 64.50 C ATOM 472 OG SER A 51 6.658 -4.099 -0.935 1.00 43.51 O ATOM 473 HG SER A 51 6.748 -4.808 -1.620 1.00 0.00 H ATOM 474 H SER A 51 9.921 -4.505 1.234 1.00 0.00 H ATOM 475 N CYS A 52 9.475 -2.623 -2.668 1.00 52.32 N ATOM 476 CA CYS A 52 9.852 -1.423 -3.418 1.00 31.25 C ATOM 477 C CYS A 52 8.619 -0.645 -3.913 1.00 55.10 C ATOM 478 O CYS A 52 7.792 -1.177 -4.658 1.00 52.21 O ATOM 479 CB CYS A 52 10.761 -1.826 -4.604 1.00 74.13 C ATOM 480 SG CYS A 52 10.066 -3.104 -5.680 1.00 54.34 S ATOM 481 H CYS A 52 9.396 -3.520 -3.188 1.00 0.00 H ATOM 482 N PHE A 53 8.490 0.601 -3.437 1.00 62.14 N ATOM 483 CA PHE A 53 7.587 1.612 -3.994 1.00 3.22 C ATOM 484 C PHE A 53 8.091 2.049 -5.381 1.00 41.54 C ATOM 485 O PHE A 53 8.748 3.084 -5.528 1.00 45.00 O ATOM 486 CB PHE A 53 7.457 2.825 -3.026 1.00 60.31 C ATOM 487 CG PHE A 53 6.843 2.477 -1.675 1.00 32.01 C ATOM 488 CD1 PHE A 53 7.621 1.941 -0.649 1.00 71.12 C ATOM 489 CD2 PHE A 53 5.484 2.678 -1.435 1.00 64.10 C ATOM 490 CE1 PHE A 53 7.063 1.619 0.567 1.00 11.04 C ATOM 491 CE2 PHE A 53 4.928 2.355 -0.218 1.00 62.12 C ATOM 492 CZ PHE A 53 5.717 1.825 0.785 1.00 11.32 C ATOM 493 H PHE A 53 9.070 0.869 -2.616 1.00 0.00 H ATOM 494 N HIS A 54 7.810 1.200 -6.387 1.00 11.11 N ATOM 495 CA HIS A 54 8.317 1.361 -7.767 1.00 3.34 C ATOM 496 C HIS A 54 7.312 2.081 -8.682 1.00 42.43 C ATOM 497 O HIS A 54 7.657 2.433 -9.817 1.00 50.21 O ATOM 498 CB HIS A 54 8.720 -0.021 -8.367 1.00 55.33 C ATOM 499 CG HIS A 54 7.655 -1.094 -8.277 1.00 72.10 C ATOM 500 ND1 HIS A 54 7.638 -2.045 -7.283 1.00 42.22 N ATOM 501 CD2 HIS A 54 6.587 -1.374 -9.067 1.00 73.10 C ATOM 502 CE1 HIS A 54 6.619 -2.855 -7.464 1.00 2.44 C ATOM 503 NE2 HIS A 54 5.965 -2.470 -8.535 1.00 51.43 N ATOM 504 H HIS A 54 7.200 0.383 -6.182 1.00 0.00 H ATOM 505 N ARG A 55 6.078 2.309 -8.196 1.00 12.55 N ATOM 506 CA ARG A 55 5.030 3.002 -8.970 1.00 53.43 C ATOM 507 C ARG A 55 4.411 4.104 -8.103 1.00 51.24 C ATOM 508 O ARG A 55 3.595 3.826 -7.233 1.00 53.14 O ATOM 509 CB ARG A 55 3.949 1.990 -9.443 1.00 24.21 C ATOM 510 CG ARG A 55 2.857 2.603 -10.358 1.00 62.24 C ATOM 511 CD ARG A 55 1.730 1.601 -10.672 1.00 30.11 C ATOM 512 NE ARG A 55 0.729 2.142 -11.615 1.00 31.35 N ATOM 513 CZ ARG A 55 -0.519 2.533 -11.300 1.00 71.14 C ATOM 514 NH1 ARG A 55 -0.964 2.482 -10.048 1.00 3.35 N ATOM 515 NH2 ARG A 55 -1.337 2.933 -12.258 1.00 2.32 N ATOM 516 HE ARG A 55 1.015 2.228 -12.611 1.00 0.00 H ATOM 517 HH12 ARG A 55 -1.933 2.790 -9.828 1.00 0.00 H ATOM 518 HH11 ARG A 55 -0.343 2.135 -9.289 1.00 0.00 H ATOM 519 HH22 ARG A 55 -2.303 3.237 -12.023 1.00 0.00 H ATOM 520 HH21 ARG A 55 -1.014 2.944 -13.247 1.00 0.00 H ATOM 521 H ARG A 55 5.853 1.983 -7.234 1.00 0.00 H ATOM 522 N ILE A 56 4.840 5.356 -8.319 1.00 13.22 N ATOM 523 CA ILE A 56 4.375 6.521 -7.531 1.00 54.51 C ATOM 524 C ILE A 56 4.035 7.690 -8.472 1.00 1.03 C ATOM 525 O ILE A 56 4.823 8.015 -9.365 1.00 24.13 O ATOM 526 CB ILE A 56 5.466 6.987 -6.488 1.00 60.04 C ATOM 527 CG1 ILE A 56 5.842 5.840 -5.492 1.00 44.22 C ATOM 528 CG2 ILE A 56 5.004 8.247 -5.719 1.00 13.54 C ATOM 529 CD1 ILE A 56 6.918 6.205 -4.478 1.00 1.55 C ATOM 530 H ILE A 56 5.533 5.517 -9.077 1.00 0.00 H ATOM 531 N ILE A 57 2.861 8.314 -8.240 1.00 25.03 N ATOM 532 CA ILE A 57 2.387 9.506 -8.965 1.00 31.35 C ATOM 533 C ILE A 57 2.143 10.661 -7.949 1.00 61.22 C ATOM 534 O ILE A 57 1.336 10.491 -7.014 1.00 11.11 O ATOM 535 CB ILE A 57 1.056 9.197 -9.757 1.00 64.41 C ATOM 536 CG1 ILE A 57 1.267 8.012 -10.760 1.00 24.10 C ATOM 537 CG2 ILE A 57 0.525 10.464 -10.482 1.00 73.32 C ATOM 538 CD1 ILE A 57 0.024 7.592 -11.529 1.00 33.22 C ATOM 539 H ILE A 57 2.247 7.926 -7.496 1.00 0.00 H ATOM 540 N PRO A 58 2.850 11.846 -8.100 1.00 41.25 N ATOM 541 CA PRO A 58 2.635 13.031 -7.238 1.00 43.04 C ATOM 542 C PRO A 58 1.223 13.628 -7.403 1.00 24.34 C ATOM 543 O PRO A 58 0.691 13.719 -8.522 1.00 23.30 O ATOM 544 CB PRO A 58 3.747 14.027 -7.680 1.00 14.13 C ATOM 545 CG PRO A 58 4.120 13.596 -9.065 1.00 52.32 C ATOM 546 CD PRO A 58 3.928 12.093 -9.091 1.00 71.03 C ATOM 547 N GLY A 59 0.637 14.028 -6.259 1.00 51.14 N ATOM 548 CA GLY A 59 -0.734 14.535 -6.193 1.00 14.10 C ATOM 549 C GLY A 59 -1.787 13.431 -6.277 1.00 4.41 C ATOM 550 O GLY A 59 -2.941 13.709 -6.624 1.00 4.22 O ATOM 551 H GLY A 59 1.186 13.974 -5.378 1.00 0.00 H ATOM 552 N PHE A 60 -1.399 12.176 -5.949 1.00 1.51 N ATOM 553 CA PHE A 60 -2.289 11.003 -6.074 1.00 71.10 C ATOM 554 C PHE A 60 -1.957 9.931 -5.016 1.00 74.14 C ATOM 555 O PHE A 60 -2.665 9.825 -4.000 1.00 12.22 O ATOM 556 CB PHE A 60 -2.227 10.435 -7.536 1.00 51.00 C ATOM 557 CG PHE A 60 -2.942 9.096 -7.779 1.00 24.13 C ATOM 558 CD1 PHE A 60 -4.263 8.902 -7.384 1.00 12.03 C ATOM 559 CD2 PHE A 60 -2.301 8.044 -8.437 1.00 64.32 C ATOM 560 CE1 PHE A 60 -4.914 7.705 -7.626 1.00 41.31 C ATOM 561 CE2 PHE A 60 -2.952 6.851 -8.678 1.00 52.34 C ATOM 562 CZ PHE A 60 -4.257 6.681 -8.270 1.00 1.14 C ATOM 563 H PHE A 60 -0.432 12.031 -5.594 1.00 0.00 H ATOM 564 N MET A 61 -0.867 9.158 -5.228 1.00 1.24 N ATOM 565 CA MET A 61 -0.659 7.888 -4.496 1.00 61.33 C ATOM 566 C MET A 61 0.773 7.337 -4.682 1.00 50.32 C ATOM 567 O MET A 61 1.354 7.454 -5.763 1.00 42.20 O ATOM 568 CB MET A 61 -1.744 6.862 -4.979 1.00 34.44 C ATOM 569 CG MET A 61 -1.615 5.427 -4.455 1.00 63.41 C ATOM 570 SD MET A 61 -0.365 4.465 -5.332 1.00 10.42 S ATOM 571 CE MET A 61 -1.072 4.303 -6.969 1.00 21.42 C ATOM 572 H MET A 61 -0.157 9.464 -5.923 1.00 0.00 H ATOM 573 N CYS A 62 1.328 6.743 -3.601 1.00 2.31 N ATOM 574 CA CYS A 62 2.619 6.032 -3.618 1.00 34.14 C ATOM 575 C CYS A 62 2.388 4.513 -3.409 1.00 63.01 C ATOM 576 O CYS A 62 1.973 4.084 -2.326 1.00 24.25 O ATOM 577 CB CYS A 62 3.539 6.618 -2.522 1.00 32.24 C ATOM 578 SG CYS A 62 2.834 6.589 -0.858 1.00 54.43 S ATOM 579 H CYS A 62 0.811 6.791 -2.700 1.00 0.00 H ATOM 580 N GLN A 63 2.676 3.711 -4.451 1.00 34.45 N ATOM 581 CA GLN A 63 2.392 2.252 -4.481 1.00 61.42 C ATOM 582 C GLN A 63 3.683 1.417 -4.381 1.00 60.21 C ATOM 583 O GLN A 63 4.627 1.604 -5.170 1.00 1.42 O ATOM 584 CB GLN A 63 1.578 1.886 -5.771 1.00 14.11 C ATOM 585 CG GLN A 63 1.694 0.426 -6.265 1.00 0.14 C ATOM 586 CD GLN A 63 0.645 0.040 -7.308 1.00 33.12 C ATOM 587 OE1 GLN A 63 0.057 0.889 -7.976 1.00 40.32 O ATOM 588 NE2 GLN A 63 0.449 -1.248 -7.500 1.00 50.31 N ATOM 589 HE22 GLN A 63 0.960 -1.944 -6.920 1.00 0.00 H ATOM 590 HE21 GLN A 63 -0.217 -1.569 -8.231 1.00 0.00 H ATOM 591 H GLN A 63 3.125 4.138 -5.286 1.00 0.00 H ATOM 592 N GLY A 64 3.681 0.484 -3.404 1.00 32.44 N ATOM 593 CA GLY A 64 4.762 -0.472 -3.184 1.00 32.22 C ATOM 594 C GLY A 64 4.428 -1.857 -3.714 1.00 71.20 C ATOM 595 O GLY A 64 3.274 -2.140 -4.044 1.00 61.12 O ATOM 596 H GLY A 64 2.858 0.444 -2.769 1.00 0.00 H ATOM 597 N GLY A 65 5.450 -2.718 -3.792 1.00 61.14 N ATOM 598 CA GLY A 65 5.291 -4.081 -4.292 1.00 51.22 C ATOM 599 C GLY A 65 6.591 -4.865 -4.247 1.00 44.25 C ATOM 600 O GLY A 65 7.609 -4.366 -3.768 1.00 24.33 O ATOM 601 H GLY A 65 6.393 -2.405 -3.485 1.00 0.00 H ATOM 602 N ASP A 66 6.556 -6.081 -4.781 1.00 34.43 N ATOM 603 CA ASP A 66 7.645 -7.071 -4.662 1.00 24.11 C ATOM 604 C ASP A 66 8.070 -7.568 -6.054 1.00 43.43 C ATOM 605 O ASP A 66 7.383 -7.303 -7.060 1.00 72.11 O ATOM 606 CB ASP A 66 7.146 -8.231 -3.759 1.00 41.03 C ATOM 607 CG ASP A 66 8.199 -9.311 -3.428 1.00 4.21 C ATOM 608 OD1 ASP A 66 9.329 -8.959 -3.038 1.00 53.54 O ATOM 609 OD2 ASP A 66 7.892 -10.518 -3.548 1.00 51.42 O ATOM 610 H ASP A 66 5.707 -6.353 -5.317 1.00 0.00 H ATOM 611 N PHE A 67 9.208 -8.277 -6.108 1.00 51.33 N ATOM 612 CA PHE A 67 9.801 -8.776 -7.355 1.00 30.20 C ATOM 613 C PHE A 67 9.244 -10.168 -7.739 1.00 22.24 C ATOM 614 O PHE A 67 9.317 -10.545 -8.917 1.00 62.41 O ATOM 615 CB PHE A 67 11.344 -8.804 -7.198 1.00 74.11 C ATOM 616 CG PHE A 67 12.123 -9.092 -8.482 1.00 23.13 C ATOM 617 CD1 PHE A 67 12.132 -8.162 -9.526 1.00 11.14 C ATOM 618 CD2 PHE A 67 12.845 -10.275 -8.649 1.00 4.13 C ATOM 619 CE1 PHE A 67 12.837 -8.405 -10.688 1.00 1.45 C ATOM 620 CE2 PHE A 67 13.548 -10.517 -9.813 1.00 31.24 C ATOM 621 CZ PHE A 67 13.544 -9.582 -10.832 1.00 21.45 C ATOM 622 H PHE A 67 9.698 -8.485 -5.215 1.00 0.00 H ATOM 623 N THR A 68 8.688 -10.927 -6.753 1.00 61.30 N ATOM 624 CA THR A 68 8.123 -12.274 -7.013 1.00 60.40 C ATOM 625 C THR A 68 6.922 -12.160 -7.974 1.00 70.33 C ATOM 626 O THR A 68 5.853 -11.651 -7.583 1.00 2.43 O ATOM 627 CB THR A 68 7.669 -13.002 -5.697 1.00 43.54 C ATOM 628 OG1 THR A 68 8.772 -13.093 -4.783 1.00 52.04 O ATOM 629 CG2 THR A 68 7.123 -14.424 -5.968 1.00 42.13 C ATOM 630 HG1 THR A 68 9.090 -12.182 -4.560 1.00 0.00 H ATOM 631 H THR A 68 8.659 -10.549 -5.785 1.00 0.00 H ATOM 632 N ARG A 69 7.140 -12.629 -9.225 1.00 21.35 N ATOM 633 CA ARG A 69 6.150 -12.582 -10.314 1.00 30.22 C ATOM 634 C ARG A 69 5.670 -11.122 -10.550 1.00 34.41 C ATOM 635 O ARG A 69 4.472 -10.823 -10.506 1.00 35.42 O ATOM 636 CB ARG A 69 4.973 -13.566 -10.014 1.00 34.45 C ATOM 637 CG ARG A 69 3.936 -13.700 -11.151 1.00 24.41 C ATOM 638 CD ARG A 69 2.703 -14.507 -10.741 1.00 72.30 C ATOM 639 NE ARG A 69 1.670 -14.456 -11.780 1.00 65.14 N ATOM 640 CZ ARG A 69 0.414 -14.883 -11.637 1.00 20.13 C ATOM 641 NH1 ARG A 69 0.008 -15.414 -10.492 1.00 52.20 N ATOM 642 NH2 ARG A 69 -0.440 -14.767 -12.643 1.00 73.43 N ATOM 643 HE ARG A 69 1.937 -14.055 -12.702 1.00 0.00 H ATOM 644 HH12 ARG A 69 -0.973 -15.744 -10.391 1.00 0.00 H ATOM 645 HH11 ARG A 69 0.671 -15.501 -9.695 1.00 0.00 H ATOM 646 HH22 ARG A 69 -1.420 -15.099 -12.534 1.00 0.00 H ATOM 647 HH21 ARG A 69 -0.131 -14.344 -13.541 1.00 0.00 H ATOM 648 H ARG A 69 8.068 -13.050 -9.431 1.00 0.00 H ATOM 649 N HIS A 70 6.647 -10.221 -10.787 1.00 64.23 N ATOM 650 CA HIS A 70 6.400 -8.768 -10.946 1.00 31.33 C ATOM 651 C HIS A 70 5.395 -8.472 -12.087 1.00 54.15 C ATOM 652 O HIS A 70 4.588 -7.540 -11.986 1.00 20.10 O ATOM 653 CB HIS A 70 7.730 -7.998 -11.168 1.00 54.31 C ATOM 654 CG HIS A 70 7.526 -6.519 -11.426 1.00 71.44 C ATOM 655 ND1 HIS A 70 7.686 -5.942 -12.669 1.00 12.41 N ATOM 656 CD2 HIS A 70 7.113 -5.520 -10.603 1.00 51.22 C ATOM 657 CE1 HIS A 70 7.368 -4.663 -12.600 1.00 24.23 C ATOM 658 NE2 HIS A 70 7.018 -4.384 -11.360 1.00 24.23 N ATOM 659 H HIS A 70 7.626 -10.565 -10.862 1.00 0.00 H ATOM 660 N ASN A 71 5.470 -9.272 -13.161 1.00 55.02 N ATOM 661 CA ASN A 71 4.520 -9.209 -14.289 1.00 11.44 C ATOM 662 C ASN A 71 3.106 -9.604 -13.807 1.00 55.13 C ATOM 663 O ASN A 71 2.899 -10.729 -13.345 1.00 4.13 O ATOM 664 CB ASN A 71 4.987 -10.153 -15.436 1.00 41.33 C ATOM 665 CG ASN A 71 4.046 -10.202 -16.652 1.00 45.04 C ATOM 666 OD1 ASN A 71 3.409 -9.213 -17.011 1.00 23.05 O ATOM 667 ND2 ASN A 71 3.955 -11.359 -17.291 1.00 60.40 N ATOM 668 HD22 ASN A 71 4.506 -12.178 -16.964 1.00 0.00 H ATOM 669 HD21 ASN A 71 3.333 -11.448 -18.119 1.00 0.00 H ATOM 670 H ASN A 71 6.237 -9.973 -13.201 1.00 0.00 H ATOM 671 N GLY A 72 2.175 -8.638 -13.845 1.00 22.04 N ATOM 672 CA GLY A 72 0.744 -8.894 -13.642 1.00 3.44 C ATOM 673 C GLY A 72 0.301 -9.118 -12.195 1.00 55.52 C ATOM 674 O GLY A 72 -0.907 -9.229 -11.940 1.00 72.41 O ATOM 675 H GLY A 72 2.482 -7.661 -14.027 1.00 0.00 H ATOM 676 N THR A 73 1.255 -9.203 -11.250 1.00 74.44 N ATOM 677 CA THR A 73 0.954 -9.400 -9.820 1.00 61.01 C ATOM 678 C THR A 73 1.970 -8.598 -8.960 1.00 31.05 C ATOM 679 O THR A 73 1.675 -7.469 -8.541 1.00 1.33 O ATOM 680 CB THR A 73 0.955 -10.933 -9.444 1.00 71.23 C ATOM 681 OG1 THR A 73 0.126 -11.675 -10.353 1.00 45.31 O ATOM 682 CG2 THR A 73 0.454 -11.176 -8.014 1.00 34.04 C ATOM 683 HG1 THR A 73 0.139 -12.633 -10.102 1.00 0.00 H ATOM 684 H THR A 73 2.250 -9.126 -11.542 1.00 0.00 H ATOM 685 N GLY A 74 3.168 -9.185 -8.737 1.00 33.11 N ATOM 686 CA GLY A 74 4.278 -8.523 -8.050 1.00 4.22 C ATOM 687 C GLY A 74 3.983 -8.159 -6.605 1.00 43.42 C ATOM 688 O GLY A 74 4.199 -7.019 -6.206 1.00 3.43 O ATOM 689 H GLY A 74 3.308 -10.160 -9.072 1.00 0.00 H ATOM 690 N GLY A 75 3.481 -9.124 -5.814 1.00 72.41 N ATOM 691 CA GLY A 75 3.142 -8.869 -4.406 1.00 24.44 C ATOM 692 C GLY A 75 1.844 -9.543 -4.012 1.00 13.22 C ATOM 693 O GLY A 75 0.950 -8.900 -3.446 1.00 64.42 O ATOM 694 H GLY A 75 3.329 -10.074 -6.208 1.00 0.00 H ATOM 695 N LYS A 76 1.747 -10.846 -4.335 1.00 52.14 N ATOM 696 CA LYS A 76 0.519 -11.637 -4.148 1.00 3.43 C ATOM 697 C LYS A 76 0.167 -11.839 -2.649 1.00 4.33 C ATOM 698 O LYS A 76 1.021 -11.714 -1.769 1.00 4.41 O ATOM 699 CB LYS A 76 0.632 -12.998 -4.891 1.00 15.11 C ATOM 700 CG LYS A 76 1.732 -13.938 -4.374 1.00 13.32 C ATOM 701 CD LYS A 76 1.721 -15.306 -5.096 1.00 42.23 C ATOM 702 CE LYS A 76 2.768 -16.267 -4.522 1.00 51.53 C ATOM 703 NZ LYS A 76 2.593 -16.456 -3.057 1.00 12.30 N ATOM 704 HZ1 LYS A 76 2.690 -15.539 -2.576 1.00 0.00 H ATOM 705 HZ2 LYS A 76 1.648 -16.849 -2.870 1.00 0.00 H ATOM 706 HZ3 LYS A 76 3.319 -17.112 -2.704 1.00 0.00 H ATOM 707 H LYS A 76 2.582 -11.318 -4.737 1.00 0.00 H ATOM 708 N SER A 77 -1.100 -12.186 -2.397 1.00 4.42 N ATOM 709 CA SER A 77 -1.692 -12.244 -1.048 1.00 74.31 C ATOM 710 C SER A 77 -1.532 -13.636 -0.397 1.00 11.23 C ATOM 711 O SER A 77 -0.941 -14.554 -0.986 1.00 35.34 O ATOM 712 CB SER A 77 -3.189 -11.873 -1.162 1.00 21.03 C ATOM 713 OG SER A 77 -3.893 -12.768 -2.008 1.00 14.51 O ATOM 714 HG SER A 77 -3.497 -12.743 -2.915 1.00 0.00 H ATOM 715 H SER A 77 -1.707 -12.431 -3.205 1.00 0.00 H ATOM 716 N ILE A 78 -2.064 -13.776 0.845 1.00 40.22 N ATOM 717 CA ILE A 78 -2.155 -15.077 1.546 1.00 52.24 C ATOM 718 C ILE A 78 -3.262 -15.956 0.923 1.00 43.34 C ATOM 719 O ILE A 78 -3.357 -17.156 1.200 1.00 10.24 O ATOM 720 CB ILE A 78 -2.387 -14.915 3.103 1.00 25.13 C ATOM 721 CG1 ILE A 78 -3.823 -14.388 3.433 1.00 73.23 C ATOM 722 CG2 ILE A 78 -1.307 -13.989 3.716 1.00 44.21 C ATOM 723 CD1 ILE A 78 -4.155 -14.334 4.923 1.00 72.32 C ATOM 724 H ILE A 78 -2.425 -12.928 1.327 1.00 0.00 H ATOM 725 N TYR A 79 -4.104 -15.322 0.087 1.00 40.52 N ATOM 726 CA TYR A 79 -5.104 -15.995 -0.750 1.00 32.22 C ATOM 727 C TYR A 79 -4.516 -16.327 -2.140 1.00 44.51 C ATOM 728 O TYR A 79 -5.239 -16.774 -3.037 1.00 55.31 O ATOM 729 CB TYR A 79 -6.353 -15.089 -0.882 1.00 53.03 C ATOM 730 CG TYR A 79 -7.073 -14.825 0.449 1.00 73.12 C ATOM 731 CD1 TYR A 79 -8.054 -15.705 0.914 1.00 42.42 C ATOM 732 CD2 TYR A 79 -6.759 -13.718 1.250 1.00 31.13 C ATOM 733 CE1 TYR A 79 -8.689 -15.496 2.117 1.00 22.05 C ATOM 734 CE2 TYR A 79 -7.400 -13.507 2.458 1.00 32.12 C ATOM 735 CZ TYR A 79 -8.360 -14.399 2.887 1.00 43.00 C ATOM 736 OH TYR A 79 -8.993 -14.199 4.097 1.00 1.31 O ATOM 737 HH TYR A 79 -9.648 -14.926 4.250 1.00 0.00 H ATOM 738 H TYR A 79 -4.042 -14.285 0.030 1.00 0.00 H ATOM 739 N GLY A 80 -3.197 -16.104 -2.298 1.00 1.24 N ATOM 740 CA GLY A 80 -2.477 -16.427 -3.523 1.00 10.32 C ATOM 741 C GLY A 80 -2.434 -15.262 -4.493 1.00 61.11 C ATOM 742 O GLY A 80 -2.303 -14.118 -4.061 1.00 62.52 O ATOM 743 H GLY A 80 -2.668 -15.682 -1.509 1.00 0.00 H ATOM 744 N GLU A 81 -2.568 -15.578 -5.798 1.00 32.34 N ATOM 745 CA GLU A 81 -2.490 -14.613 -6.919 1.00 3.33 C ATOM 746 C GLU A 81 -3.395 -13.389 -6.685 1.00 63.43 C ATOM 747 O GLU A 81 -2.915 -12.247 -6.662 1.00 64.51 O ATOM 748 CB GLU A 81 -2.883 -15.344 -8.234 1.00 32.52 C ATOM 749 CG GLU A 81 -2.958 -14.469 -9.504 1.00 51.21 C ATOM 750 CD GLU A 81 -3.482 -15.258 -10.718 1.00 62.02 C ATOM 751 OE1 GLU A 81 -2.702 -15.995 -11.344 1.00 22.01 O ATOM 752 OE2 GLU A 81 -4.687 -15.207 -11.006 1.00 31.43 O ATOM 753 H GLU A 81 -2.739 -16.576 -6.035 1.00 0.00 H ATOM 754 N LYS A 82 -4.699 -13.660 -6.479 1.00 5.32 N ATOM 755 CA LYS A 82 -5.716 -12.625 -6.250 1.00 22.42 C ATOM 756 C LYS A 82 -6.974 -13.224 -5.599 1.00 44.44 C ATOM 757 O LYS A 82 -7.233 -14.431 -5.702 1.00 42.12 O ATOM 758 CB LYS A 82 -6.072 -11.883 -7.577 1.00 62.45 C ATOM 759 CG LYS A 82 -6.415 -12.804 -8.769 1.00 44.25 C ATOM 760 CD LYS A 82 -6.786 -12.011 -10.039 1.00 42.23 C ATOM 761 CE LYS A 82 -6.933 -12.899 -11.280 1.00 60.34 C ATOM 762 NZ LYS A 82 -7.857 -14.048 -11.058 1.00 32.13 N ATOM 763 HZ1 LYS A 82 -7.493 -14.639 -10.283 1.00 0.00 H ATOM 764 HZ2 LYS A 82 -8.801 -13.689 -10.808 1.00 0.00 H ATOM 765 HZ3 LYS A 82 -7.919 -14.614 -11.928 1.00 0.00 H ATOM 766 H LYS A 82 -5.001 -14.655 -6.482 1.00 0.00 H ATOM 767 N PHE A 83 -7.739 -12.349 -4.934 1.00 41.55 N ATOM 768 CA PHE A 83 -8.974 -12.685 -4.228 1.00 73.12 C ATOM 769 C PHE A 83 -9.973 -11.524 -4.369 1.00 74.42 C ATOM 770 O PHE A 83 -9.636 -10.449 -4.887 1.00 74.53 O ATOM 771 CB PHE A 83 -8.678 -13.000 -2.725 1.00 21.03 C ATOM 772 CG PHE A 83 -8.230 -11.813 -1.846 1.00 24.54 C ATOM 773 CD1 PHE A 83 -6.936 -11.302 -1.924 1.00 62.20 C ATOM 774 CD2 PHE A 83 -9.104 -11.227 -0.927 1.00 71.45 C ATOM 775 CE1 PHE A 83 -6.539 -10.250 -1.119 1.00 4.35 C ATOM 776 CE2 PHE A 83 -8.704 -10.172 -0.126 1.00 62.03 C ATOM 777 CZ PHE A 83 -7.420 -9.685 -0.223 1.00 72.01 C ATOM 778 H PHE A 83 -7.431 -11.356 -4.919 1.00 0.00 H ATOM 779 N GLU A 84 -11.202 -11.762 -3.907 1.00 33.23 N ATOM 780 CA GLU A 84 -12.280 -10.759 -3.892 1.00 43.05 C ATOM 781 C GLU A 84 -12.403 -10.153 -2.486 1.00 63.22 C ATOM 782 O GLU A 84 -12.103 -10.817 -1.491 1.00 74.34 O ATOM 783 CB GLU A 84 -13.612 -11.409 -4.358 1.00 25.33 C ATOM 784 CG GLU A 84 -14.052 -12.634 -3.531 1.00 15.53 C ATOM 785 CD GLU A 84 -15.311 -13.335 -4.063 1.00 72.42 C ATOM 786 OE1 GLU A 84 -15.363 -13.638 -5.271 1.00 55.15 O ATOM 787 OE2 GLU A 84 -16.252 -13.595 -3.281 1.00 51.21 O ATOM 788 H GLU A 84 -11.411 -12.711 -3.536 1.00 0.00 H ATOM 789 N ASP A 85 -12.840 -8.887 -2.420 1.00 1.44 N ATOM 790 CA ASP A 85 -12.942 -8.119 -1.159 1.00 71.24 C ATOM 791 C ASP A 85 -14.007 -8.679 -0.210 1.00 12.10 C ATOM 792 O ASP A 85 -15.000 -9.267 -0.644 1.00 34.22 O ATOM 793 CB ASP A 85 -13.214 -6.619 -1.455 1.00 30.33 C ATOM 794 CG ASP A 85 -11.962 -5.893 -1.949 1.00 52.23 C ATOM 795 OD1 ASP A 85 -10.978 -5.828 -1.178 1.00 64.11 O ATOM 796 OD2 ASP A 85 -11.939 -5.394 -3.097 1.00 75.35 O ATOM 797 H ASP A 85 -13.123 -8.419 -3.304 1.00 0.00 H ATOM 798 N GLU A 86 -13.753 -8.503 1.096 1.00 31.30 N ATOM 799 CA GLU A 86 -14.660 -8.943 2.164 1.00 33.35 C ATOM 800 C GLU A 86 -15.948 -8.091 2.164 1.00 64.10 C ATOM 801 O GLU A 86 -17.061 -8.623 2.053 1.00 70.20 O ATOM 802 CB GLU A 86 -13.947 -8.839 3.543 1.00 35.51 C ATOM 803 CG GLU A 86 -14.757 -9.378 4.753 1.00 31.22 C ATOM 804 CD GLU A 86 -14.870 -10.914 4.792 1.00 15.00 C ATOM 805 OE1 GLU A 86 -15.710 -11.490 4.074 1.00 32.43 O ATOM 806 OE2 GLU A 86 -14.098 -11.555 5.522 1.00 1.42 O ATOM 807 H GLU A 86 -12.867 -8.030 1.366 1.00 0.00 H ATOM 808 N ASN A 87 -15.763 -6.761 2.274 1.00 32.24 N ATOM 809 CA ASN A 87 -16.859 -5.794 2.443 1.00 52.04 C ATOM 810 C ASN A 87 -16.323 -4.366 2.258 1.00 33.34 C ATOM 811 O ASN A 87 -15.243 -4.043 2.760 1.00 64.23 O ATOM 812 CB ASN A 87 -17.531 -5.958 3.841 1.00 23.01 C ATOM 813 CG ASN A 87 -16.571 -5.858 5.041 1.00 35.04 C ATOM 814 OD1 ASN A 87 -15.381 -6.150 4.946 1.00 54.34 O ATOM 815 ND2 ASN A 87 -17.086 -5.468 6.188 1.00 44.22 N ATOM 816 HD22 ASN A 87 -18.095 -5.225 6.249 1.00 0.00 H ATOM 817 HD21 ASN A 87 -16.483 -5.403 7.033 1.00 0.00 H ATOM 818 H ASN A 87 -14.789 -6.397 2.237 1.00 0.00 H ATOM 819 N PHE A 88 -17.086 -3.511 1.546 1.00 41.20 N ATOM 820 CA PHE A 88 -16.660 -2.134 1.215 1.00 73.54 C ATOM 821 C PHE A 88 -17.125 -1.136 2.302 1.00 40.53 C ATOM 822 O PHE A 88 -18.017 -0.312 2.069 1.00 21.42 O ATOM 823 CB PHE A 88 -17.190 -1.709 -0.193 1.00 54.55 C ATOM 824 CG PHE A 88 -16.775 -2.626 -1.349 1.00 64.32 C ATOM 825 CD1 PHE A 88 -15.431 -2.859 -1.630 1.00 62.11 C ATOM 826 CD2 PHE A 88 -17.728 -3.234 -2.168 1.00 4.23 C ATOM 827 CE1 PHE A 88 -15.053 -3.669 -2.684 1.00 3.34 C ATOM 828 CE2 PHE A 88 -17.348 -4.044 -3.221 1.00 25.25 C ATOM 829 CZ PHE A 88 -16.009 -4.262 -3.480 1.00 62.45 C ATOM 830 H PHE A 88 -18.017 -3.835 1.215 1.00 0.00 H ATOM 831 N ILE A 89 -16.539 -1.245 3.508 1.00 62.14 N ATOM 832 CA ILE A 89 -16.791 -0.284 4.611 1.00 10.42 C ATOM 833 C ILE A 89 -15.950 0.987 4.404 1.00 30.11 C ATOM 834 O ILE A 89 -16.491 2.089 4.244 1.00 42.41 O ATOM 835 CB ILE A 89 -16.480 -0.912 6.033 1.00 40.10 C ATOM 836 CG1 ILE A 89 -17.437 -2.111 6.320 1.00 24.23 C ATOM 837 CG2 ILE A 89 -16.566 0.151 7.165 1.00 52.13 C ATOM 838 CD1 ILE A 89 -17.302 -2.719 7.709 1.00 52.03 C ATOM 839 H ILE A 89 -15.883 -2.035 3.674 1.00 0.00 H ATOM 840 N LEU A 90 -14.623 0.807 4.408 1.00 33.12 N ATOM 841 CA LEU A 90 -13.661 1.910 4.358 1.00 44.32 C ATOM 842 C LEU A 90 -13.584 2.509 2.937 1.00 52.44 C ATOM 843 O LEU A 90 -13.029 1.898 2.015 1.00 33.14 O ATOM 844 CB LEU A 90 -12.282 1.409 4.832 1.00 61.43 C ATOM 845 CG LEU A 90 -12.187 0.946 6.318 1.00 51.14 C ATOM 846 CD1 LEU A 90 -10.802 0.336 6.620 1.00 1.01 C ATOM 847 CD2 LEU A 90 -12.507 2.117 7.275 1.00 50.24 C ATOM 848 H LEU A 90 -14.257 -0.166 4.449 1.00 0.00 H ATOM 849 N LYS A 91 -14.198 3.689 2.784 1.00 23.13 N ATOM 850 CA LYS A 91 -14.133 4.487 1.551 1.00 12.32 C ATOM 851 C LYS A 91 -12.847 5.344 1.541 1.00 14.22 C ATOM 852 O LYS A 91 -12.263 5.624 2.600 1.00 60.13 O ATOM 853 CB LYS A 91 -15.398 5.380 1.433 1.00 31.11 C ATOM 854 CG LYS A 91 -15.617 6.334 2.630 1.00 23.23 C ATOM 855 CD LYS A 91 -16.878 7.226 2.507 1.00 14.24 C ATOM 856 CE LYS A 91 -16.789 8.310 1.408 1.00 15.24 C ATOM 857 NZ LYS A 91 -16.917 7.771 0.032 1.00 71.32 N ATOM 858 HZ1 LYS A 91 -16.154 7.086 -0.143 1.00 0.00 H ATOM 859 HZ2 LYS A 91 -17.838 7.299 -0.070 1.00 0.00 H ATOM 860 HZ3 LYS A 91 -16.848 8.551 -0.652 1.00 0.00 H ATOM 861 H LYS A 91 -14.752 4.062 3.582 1.00 0.00 H ATOM 862 N HIS A 92 -12.419 5.769 0.338 1.00 23.13 N ATOM 863 CA HIS A 92 -11.176 6.548 0.147 1.00 42.40 C ATOM 864 C HIS A 92 -11.476 8.060 0.314 1.00 15.21 C ATOM 865 O HIS A 92 -11.382 8.846 -0.636 1.00 1.42 O ATOM 866 CB HIS A 92 -10.564 6.249 -1.248 1.00 52.51 C ATOM 867 CG HIS A 92 -10.237 4.800 -1.515 1.00 2.20 C ATOM 868 ND1 HIS A 92 -8.948 4.337 -1.677 1.00 51.34 N ATOM 869 CD2 HIS A 92 -11.041 3.720 -1.684 1.00 62.43 C ATOM 870 CE1 HIS A 92 -8.976 3.043 -1.927 1.00 45.04 C ATOM 871 NE2 HIS A 92 -10.229 2.648 -1.937 1.00 75.31 N ATOM 872 H HIS A 92 -12.991 5.538 -0.499 1.00 0.00 H ATOM 873 N THR A 93 -11.848 8.445 1.545 1.00 61.23 N ATOM 874 CA THR A 93 -12.297 9.820 1.870 1.00 55.32 C ATOM 875 C THR A 93 -11.207 10.605 2.633 1.00 43.41 C ATOM 876 O THR A 93 -11.474 11.674 3.195 1.00 54.24 O ATOM 877 CB THR A 93 -13.632 9.755 2.698 1.00 51.31 C ATOM 878 OG1 THR A 93 -14.191 11.067 2.884 1.00 14.53 O ATOM 879 CG2 THR A 93 -13.436 9.073 4.068 1.00 52.54 C ATOM 880 HG1 THR A 93 -13.543 11.635 3.372 1.00 0.00 H ATOM 881 H THR A 93 -11.820 7.742 2.311 1.00 0.00 H ATOM 882 N GLY A 94 -9.962 10.097 2.614 1.00 61.44 N ATOM 883 CA GLY A 94 -8.870 10.715 3.371 1.00 62.14 C ATOM 884 C GLY A 94 -7.488 10.414 2.802 1.00 31.35 C ATOM 885 O GLY A 94 -7.367 9.666 1.824 1.00 33.11 O ATOM 886 H GLY A 94 -9.770 9.245 2.049 1.00 0.00 H ATOM 887 N PRO A 95 -6.421 11.036 3.379 1.00 25.52 N ATOM 888 CA PRO A 95 -5.020 10.777 3.002 1.00 43.03 C ATOM 889 C PRO A 95 -4.394 9.634 3.847 1.00 4.25 C ATOM 890 O PRO A 95 -4.880 9.309 4.943 1.00 3.33 O ATOM 891 CB PRO A 95 -4.367 12.148 3.291 1.00 65.51 C ATOM 892 CG PRO A 95 -5.096 12.674 4.501 1.00 53.32 C ATOM 893 CD PRO A 95 -6.500 12.076 4.450 1.00 13.22 C ATOM 894 N GLY A 96 -3.321 9.025 3.314 1.00 61.11 N ATOM 895 CA GLY A 96 -2.630 7.917 3.979 1.00 25.55 C ATOM 896 C GLY A 96 -3.362 6.582 3.859 1.00 34.13 C ATOM 897 O GLY A 96 -3.070 5.646 4.602 1.00 22.25 O ATOM 898 H GLY A 96 -2.967 9.353 2.393 1.00 0.00 H ATOM 899 N ILE A 97 -4.287 6.495 2.898 1.00 30.51 N ATOM 900 CA ILE A 97 -5.139 5.312 2.689 1.00 2.21 C ATOM 901 C ILE A 97 -4.294 4.091 2.226 1.00 5.11 C ATOM 902 O ILE A 97 -3.869 4.026 1.071 1.00 12.44 O ATOM 903 CB ILE A 97 -6.290 5.677 1.655 1.00 2.41 C ATOM 904 CG1 ILE A 97 -7.396 6.559 2.328 1.00 62.33 C ATOM 905 CG2 ILE A 97 -6.906 4.449 0.953 1.00 20.31 C ATOM 906 CD1 ILE A 97 -8.138 5.909 3.487 1.00 33.33 C ATOM 907 H ILE A 97 -4.412 7.308 2.262 1.00 0.00 H ATOM 908 N LEU A 98 -4.028 3.145 3.156 1.00 55.15 N ATOM 909 CA LEU A 98 -3.321 1.889 2.839 1.00 74.04 C ATOM 910 C LEU A 98 -4.342 0.820 2.408 1.00 74.43 C ATOM 911 O LEU A 98 -5.222 0.399 3.184 1.00 3.42 O ATOM 912 CB LEU A 98 -2.482 1.370 4.036 1.00 5.15 C ATOM 913 CG LEU A 98 -1.702 0.034 3.770 1.00 53.32 C ATOM 914 CD1 LEU A 98 -0.593 0.213 2.713 1.00 53.51 C ATOM 915 CD2 LEU A 98 -1.147 -0.579 5.068 1.00 21.42 C ATOM 916 H LEU A 98 -4.335 3.310 4.136 1.00 0.00 H ATOM 917 N SER A 99 -4.194 0.370 1.172 1.00 44.23 N ATOM 918 CA SER A 99 -5.119 -0.559 0.529 1.00 44.31 C ATOM 919 C SER A 99 -4.324 -1.371 -0.521 1.00 60.31 C ATOM 920 O SER A 99 -3.442 -0.812 -1.147 1.00 51.41 O ATOM 921 CB SER A 99 -6.272 0.265 -0.080 1.00 55.13 C ATOM 922 OG SER A 99 -7.290 -0.545 -0.602 1.00 33.50 O ATOM 923 HG SER A 99 -6.918 -1.123 -1.314 1.00 0.00 H ATOM 924 H SER A 99 -3.371 0.697 0.627 1.00 0.00 H ATOM 925 N MET A 100 -4.595 -2.691 -0.695 1.00 42.54 N ATOM 926 CA MET A 100 -3.786 -3.541 -1.621 1.00 51.20 C ATOM 927 C MET A 100 -4.179 -3.266 -3.075 1.00 72.20 C ATOM 928 O MET A 100 -5.358 -3.141 -3.377 1.00 3.23 O ATOM 929 CB MET A 100 -3.917 -5.060 -1.313 1.00 53.14 C ATOM 930 CG MET A 100 -3.268 -5.507 0.004 1.00 13.24 C ATOM 931 SD MET A 100 -3.063 -7.296 0.111 1.00 10.30 S ATOM 932 CE MET A 100 -1.790 -7.597 -1.122 1.00 32.12 C ATOM 933 H MET A 100 -5.384 -3.120 -0.171 1.00 0.00 H ATOM 934 N ALA A 101 -3.183 -3.184 -3.971 1.00 2.31 N ATOM 935 CA ALA A 101 -3.410 -2.782 -5.369 1.00 31.43 C ATOM 936 C ALA A 101 -4.163 -3.872 -6.146 1.00 52.22 C ATOM 937 O ALA A 101 -4.155 -5.060 -5.768 1.00 62.33 O ATOM 938 CB ALA A 101 -2.083 -2.413 -6.037 1.00 12.10 C ATOM 939 H ALA A 101 -2.215 -3.413 -3.666 1.00 0.00 H ATOM 940 N ASN A 102 -4.833 -3.442 -7.217 1.00 51.12 N ATOM 941 CA ASN A 102 -5.723 -4.298 -8.002 1.00 63.25 C ATOM 942 C ASN A 102 -5.980 -3.689 -9.378 1.00 72.33 C ATOM 943 O ASN A 102 -5.724 -2.500 -9.607 1.00 5.21 O ATOM 944 CB ASN A 102 -7.082 -4.494 -7.267 1.00 55.01 C ATOM 945 CG ASN A 102 -7.919 -3.211 -7.116 1.00 34.25 C ATOM 946 OD1 ASN A 102 -7.399 -2.113 -6.898 1.00 50.20 O ATOM 947 ND2 ASN A 102 -9.231 -3.340 -7.239 1.00 70.22 N ATOM 948 HD22 ASN A 102 -9.647 -4.276 -7.423 1.00 0.00 H ATOM 949 HD21 ASN A 102 -9.846 -2.506 -7.152 1.00 0.00 H ATOM 950 H ASN A 102 -4.717 -2.450 -7.508 1.00 0.00 H ATOM 951 N ALA A 103 -6.494 -4.520 -10.288 1.00 65.10 N ATOM 952 CA ALA A 103 -7.013 -4.069 -11.587 1.00 32.34 C ATOM 953 C ALA A 103 -8.545 -3.905 -11.525 1.00 44.12 C ATOM 954 O ALA A 103 -9.143 -3.278 -12.403 1.00 73.14 O ATOM 955 CB ALA A 103 -6.594 -5.052 -12.685 1.00 0.34 C ATOM 956 H ALA A 103 -6.529 -5.536 -10.067 1.00 0.00 H ATOM 957 N GLY A 104 -9.168 -4.474 -10.469 1.00 34.00 N ATOM 958 CA GLY A 104 -10.615 -4.375 -10.262 1.00 72.10 C ATOM 959 C GLY A 104 -11.124 -5.358 -9.209 1.00 75.54 C ATOM 960 O GLY A 104 -10.310 -5.928 -8.462 1.00 75.34 O ATOM 961 H GLY A 104 -8.599 -5.002 -9.777 1.00 0.00 H ATOM 962 N PRO A 105 -12.479 -5.549 -9.089 1.00 64.54 N ATOM 963 CA PRO A 105 -13.080 -6.579 -8.199 1.00 4.41 C ATOM 964 C PRO A 105 -12.602 -8.005 -8.554 1.00 73.22 C ATOM 965 O PRO A 105 -12.434 -8.328 -9.740 1.00 54.35 O ATOM 966 CB PRO A 105 -14.609 -6.421 -8.431 1.00 42.31 C ATOM 967 CG PRO A 105 -14.773 -5.020 -8.944 1.00 55.44 C ATOM 968 CD PRO A 105 -13.537 -4.758 -9.786 1.00 51.11 C ATOM 969 N ASN A 106 -12.337 -8.819 -7.506 1.00 63.42 N ATOM 970 CA ASN A 106 -11.823 -10.210 -7.616 1.00 61.41 C ATOM 971 C ASN A 106 -10.389 -10.252 -8.215 1.00 23.21 C ATOM 972 O ASN A 106 -9.861 -11.319 -8.544 1.00 55.11 O ATOM 973 CB ASN A 106 -12.831 -11.114 -8.400 1.00 44.12 C ATOM 974 CG ASN A 106 -12.558 -12.621 -8.298 1.00 61.13 C ATOM 975 OD1 ASN A 106 -12.020 -13.110 -7.302 1.00 12.34 O ATOM 976 ND2 ASN A 106 -12.949 -13.371 -9.324 1.00 23.01 N ATOM 977 HD22 ASN A 106 -13.400 -12.928 -10.150 1.00 0.00 H ATOM 978 HD21 ASN A 106 -12.804 -14.401 -9.301 1.00 0.00 H ATOM 979 H ASN A 106 -12.506 -8.443 -6.551 1.00 0.00 H ATOM 980 N THR A 107 -9.747 -9.072 -8.315 1.00 72.21 N ATOM 981 CA THR A 107 -8.372 -8.923 -8.820 1.00 51.41 C ATOM 982 C THR A 107 -7.501 -8.198 -7.760 1.00 13.45 C ATOM 983 O THR A 107 -6.407 -7.701 -8.046 1.00 11.13 O ATOM 984 CB THR A 107 -8.383 -8.157 -10.195 1.00 43.10 C ATOM 985 OG1 THR A 107 -9.453 -8.659 -11.027 1.00 35.45 O ATOM 986 CG2 THR A 107 -7.061 -8.316 -10.969 1.00 63.43 C ATOM 987 HG1 THR A 107 -10.319 -8.521 -10.568 1.00 0.00 H ATOM 988 H THR A 107 -10.253 -8.214 -8.017 1.00 0.00 H ATOM 989 N ASN A 108 -8.011 -8.176 -6.515 1.00 53.43 N ATOM 990 CA ASN A 108 -7.321 -7.602 -5.342 1.00 73.12 C ATOM 991 C ASN A 108 -6.300 -8.603 -4.789 1.00 3.42 C ATOM 992 O ASN A 108 -6.498 -9.796 -4.904 1.00 11.11 O ATOM 993 CB ASN A 108 -8.376 -7.244 -4.256 1.00 12.11 C ATOM 994 CG ASN A 108 -7.777 -6.712 -2.949 1.00 51.01 C ATOM 995 OD1 ASN A 108 -6.731 -6.061 -2.939 1.00 63.45 O ATOM 996 ND2 ASN A 108 -8.441 -6.969 -1.837 1.00 42.32 N ATOM 997 HD22 ASN A 108 -9.322 -7.521 -1.873 1.00 0.00 H ATOM 998 HD21 ASN A 108 -8.083 -6.619 -0.925 1.00 0.00 H ATOM 999 H ASN A 108 -8.954 -8.591 -6.369 1.00 0.00 H ATOM 1000 N GLY A 109 -5.219 -8.111 -4.172 1.00 11.15 N ATOM 1001 CA GLY A 109 -4.229 -8.993 -3.538 1.00 73.21 C ATOM 1002 C GLY A 109 -2.934 -9.090 -4.310 1.00 31.10 C ATOM 1003 O GLY A 109 -2.228 -10.092 -4.210 1.00 74.30 O ATOM 1004 H GLY A 109 -5.076 -7.081 -4.140 1.00 0.00 H ATOM 1005 N SER A 110 -2.639 -8.047 -5.091 1.00 73.04 N ATOM 1006 CA SER A 110 -1.383 -7.916 -5.831 1.00 24.04 C ATOM 1007 C SER A 110 -0.822 -6.508 -5.578 1.00 75.51 C ATOM 1008 O SER A 110 -1.466 -5.531 -5.943 1.00 14.31 O ATOM 1009 CB SER A 110 -1.664 -8.159 -7.332 1.00 21.43 C ATOM 1010 OG SER A 110 -2.792 -7.411 -7.782 1.00 40.41 O ATOM 1011 HG SER A 110 -2.621 -6.445 -7.648 1.00 0.00 H ATOM 1012 H SER A 110 -3.342 -7.285 -5.178 1.00 0.00 H ATOM 1013 N GLN A 111 0.387 -6.424 -4.966 1.00 24.40 N ATOM 1014 CA GLN A 111 1.003 -5.146 -4.502 1.00 44.33 C ATOM 1015 C GLN A 111 0.129 -4.437 -3.430 1.00 33.41 C ATOM 1016 O GLN A 111 -0.878 -4.983 -2.961 1.00 75.34 O ATOM 1017 CB GLN A 111 1.274 -4.179 -5.695 1.00 52.10 C ATOM 1018 CG GLN A 111 2.282 -4.692 -6.727 1.00 1.34 C ATOM 1019 CD GLN A 111 2.389 -3.786 -7.947 1.00 11.14 C ATOM 1020 OE1 GLN A 111 3.176 -2.839 -7.965 1.00 54.41 O ATOM 1021 NE2 GLN A 111 1.599 -4.059 -8.975 1.00 31.22 N ATOM 1022 HE22 GLN A 111 0.945 -4.866 -8.928 1.00 0.00 H ATOM 1023 HE21 GLN A 111 1.633 -3.466 -9.829 1.00 0.00 H ATOM 1024 H GLN A 111 0.917 -7.305 -4.811 1.00 0.00 H ATOM 1025 N PHE A 112 0.537 -3.213 -3.048 1.00 12.33 N ATOM 1026 CA PHE A 112 -0.250 -2.320 -2.175 1.00 62.25 C ATOM 1027 C PHE A 112 -0.003 -0.870 -2.588 1.00 15.12 C ATOM 1028 O PHE A 112 1.013 -0.566 -3.211 1.00 4.32 O ATOM 1029 CB PHE A 112 0.077 -2.540 -0.665 1.00 1.02 C ATOM 1030 CG PHE A 112 1.534 -2.276 -0.276 1.00 34.10 C ATOM 1031 CD1 PHE A 112 2.509 -3.252 -0.472 1.00 33.20 C ATOM 1032 CD2 PHE A 112 1.925 -1.057 0.287 1.00 31.24 C ATOM 1033 CE1 PHE A 112 3.820 -3.021 -0.121 1.00 34.42 C ATOM 1034 CE2 PHE A 112 3.238 -0.830 0.636 1.00 22.33 C ATOM 1035 CZ PHE A 112 4.186 -1.811 0.432 1.00 32.42 C ATOM 1036 H PHE A 112 1.461 -2.877 -3.388 1.00 0.00 H ATOM 1037 N PHE A 113 -0.921 0.013 -2.213 1.00 3.31 N ATOM 1038 CA PHE A 113 -0.851 1.439 -2.531 1.00 34.14 C ATOM 1039 C PHE A 113 -1.266 2.259 -1.307 1.00 64.11 C ATOM 1040 O PHE A 113 -2.109 1.824 -0.512 1.00 63.30 O ATOM 1041 CB PHE A 113 -1.730 1.779 -3.776 1.00 75.12 C ATOM 1042 CG PHE A 113 -3.254 1.631 -3.619 1.00 53.04 C ATOM 1043 CD1 PHE A 113 -3.884 0.421 -3.887 1.00 73.11 C ATOM 1044 CD2 PHE A 113 -4.056 2.712 -3.238 1.00 73.41 C ATOM 1045 CE1 PHE A 113 -5.256 0.288 -3.785 1.00 0.22 C ATOM 1046 CE2 PHE A 113 -5.428 2.576 -3.130 1.00 3.41 C ATOM 1047 CZ PHE A 113 -6.027 1.365 -3.407 1.00 11.42 C ATOM 1048 H PHE A 113 -1.735 -0.328 -1.663 1.00 0.00 H ATOM 1049 N ILE A 114 -0.649 3.436 -1.156 1.00 32.32 N ATOM 1050 CA ILE A 114 -0.968 4.390 -0.090 1.00 10.55 C ATOM 1051 C ILE A 114 -1.397 5.700 -0.757 1.00 40.12 C ATOM 1052 O ILE A 114 -0.540 6.438 -1.272 1.00 22.11 O ATOM 1053 CB ILE A 114 0.260 4.669 0.866 1.00 61.12 C ATOM 1054 CG1 ILE A 114 0.988 3.346 1.267 1.00 51.02 C ATOM 1055 CG2 ILE A 114 -0.205 5.444 2.125 1.00 25.42 C ATOM 1056 CD1 ILE A 114 2.307 3.557 1.989 1.00 63.25 C ATOM 1057 H ILE A 114 0.099 3.688 -1.833 1.00 0.00 H ATOM 1058 N CYS A 115 -2.718 5.960 -0.805 1.00 73.12 N ATOM 1059 CA CYS A 115 -3.258 7.205 -1.368 1.00 71.32 C ATOM 1060 C CYS A 115 -2.773 8.395 -0.527 1.00 33.22 C ATOM 1061 O CYS A 115 -3.245 8.601 0.591 1.00 73.24 O ATOM 1062 CB CYS A 115 -4.797 7.156 -1.419 1.00 41.51 C ATOM 1063 SG CYS A 115 -5.449 5.758 -2.352 1.00 11.24 S ATOM 1064 H CYS A 115 -3.381 5.252 -0.429 1.00 0.00 H ATOM 1065 N THR A 116 -1.799 9.141 -1.075 1.00 3.23 N ATOM 1066 CA THR A 116 -1.199 10.311 -0.413 1.00 41.40 C ATOM 1067 C THR A 116 -2.218 11.463 -0.363 1.00 20.10 C ATOM 1068 O THR A 116 -2.241 12.256 0.584 1.00 31.11 O ATOM 1069 CB THR A 116 0.083 10.759 -1.186 1.00 14.23 C ATOM 1070 OG1 THR A 116 -0.241 10.917 -2.574 1.00 50.34 O ATOM 1071 CG2 THR A 116 1.240 9.750 -1.050 1.00 72.00 C ATOM 1072 HG1 THR A 116 0.567 11.201 -3.070 1.00 0.00 H ATOM 1073 H THR A 116 -1.450 8.877 -2.019 1.00 0.00 H ATOM 1074 N ALA A 117 -3.061 11.521 -1.397 1.00 43.41 N ATOM 1075 CA ALA A 117 -4.208 12.430 -1.474 1.00 75.32 C ATOM 1076 C ALA A 117 -5.506 11.641 -1.230 1.00 33.33 C ATOM 1077 O ALA A 117 -5.519 10.406 -1.349 1.00 63.44 O ATOM 1078 CB ALA A 117 -4.232 13.123 -2.848 1.00 23.33 C ATOM 1079 H ALA A 117 -2.893 10.880 -2.199 1.00 0.00 H ATOM 1080 N LYS A 118 -6.592 12.356 -0.881 1.00 14.43 N ATOM 1081 CA LYS A 118 -7.924 11.750 -0.725 1.00 75.21 C ATOM 1082 C LYS A 118 -8.505 11.393 -2.113 1.00 40.24 C ATOM 1083 O LYS A 118 -9.095 12.232 -2.812 1.00 24.42 O ATOM 1084 CB LYS A 118 -8.885 12.675 0.086 1.00 3.11 C ATOM 1085 CG LYS A 118 -9.002 14.141 -0.429 1.00 12.21 C ATOM 1086 CD LYS A 118 -10.409 14.743 -0.210 1.00 43.13 C ATOM 1087 CE LYS A 118 -11.501 13.973 -0.981 1.00 11.01 C ATOM 1088 NZ LYS A 118 -12.846 14.581 -0.809 1.00 62.11 N ATOM 1089 HZ1 LYS A 118 -13.100 14.579 0.200 1.00 0.00 H ATOM 1090 HZ2 LYS A 118 -12.830 15.559 -1.161 1.00 0.00 H ATOM 1091 HZ3 LYS A 118 -13.546 14.029 -1.345 1.00 0.00 H ATOM 1092 H LYS A 118 -6.485 13.377 -0.715 1.00 0.00 H ATOM 1093 N THR A 119 -8.287 10.137 -2.525 1.00 2.04 N ATOM 1094 CA THR A 119 -8.679 9.658 -3.852 1.00 35.41 C ATOM 1095 C THR A 119 -10.138 9.150 -3.831 1.00 3.24 C ATOM 1096 O THR A 119 -10.395 7.947 -3.755 1.00 74.15 O ATOM 1097 CB THR A 119 -7.679 8.537 -4.298 1.00 62.13 C ATOM 1098 OG1 THR A 119 -7.692 7.455 -3.344 1.00 45.42 O ATOM 1099 CG2 THR A 119 -6.238 9.071 -4.414 1.00 32.23 C ATOM 1100 HG1 THR A 119 -8.605 7.075 -3.290 1.00 0.00 H ATOM 1101 H THR A 119 -7.819 9.474 -1.875 1.00 0.00 H ATOM 1102 N GLU A 120 -11.095 10.084 -3.983 1.00 53.42 N ATOM 1103 CA GLU A 120 -12.538 9.781 -3.822 1.00 23.24 C ATOM 1104 C GLU A 120 -13.130 9.124 -5.080 1.00 11.43 C ATOM 1105 O GLU A 120 -14.204 8.518 -5.038 1.00 64.31 O ATOM 1106 CB GLU A 120 -13.333 11.055 -3.444 1.00 3.32 C ATOM 1107 CG GLU A 120 -13.237 12.205 -4.466 1.00 23.33 C ATOM 1108 CD GLU A 120 -14.253 13.328 -4.206 1.00 22.43 C ATOM 1109 OE1 GLU A 120 -13.960 14.254 -3.422 1.00 13.24 O ATOM 1110 OE2 GLU A 120 -15.368 13.271 -4.761 1.00 43.04 O ATOM 1111 H GLU A 120 -10.812 11.056 -4.223 1.00 0.00 H ATOM 1112 N TRP A 121 -12.415 9.240 -6.203 1.00 63.15 N ATOM 1113 CA TRP A 121 -12.782 8.558 -7.457 1.00 32.43 C ATOM 1114 C TRP A 121 -12.568 7.030 -7.357 1.00 71.24 C ATOM 1115 O TRP A 121 -12.993 6.287 -8.243 1.00 4.20 O ATOM 1116 CB TRP A 121 -12.011 9.167 -8.658 1.00 53.44 C ATOM 1117 CG TRP A 121 -10.511 9.209 -8.482 1.00 5.34 C ATOM 1118 CD1 TRP A 121 -9.601 8.260 -8.864 1.00 54.12 C ATOM 1119 CD2 TRP A 121 -9.753 10.270 -7.875 1.00 71.32 C ATOM 1120 NE1 TRP A 121 -8.336 8.666 -8.532 1.00 54.42 N ATOM 1121 CE2 TRP A 121 -8.404 9.900 -7.930 1.00 2.41 C ATOM 1122 CE3 TRP A 121 -10.093 11.502 -7.295 1.00 63.42 C ATOM 1123 CZ2 TRP A 121 -7.393 10.712 -7.426 1.00 63.01 C ATOM 1124 CZ3 TRP A 121 -9.088 12.305 -6.798 1.00 53.51 C ATOM 1125 CH2 TRP A 121 -7.749 11.908 -6.869 1.00 1.44 C ATOM 1126 HE1 TRP A 121 -7.464 8.127 -8.707 1.00 0.00 H ATOM 1127 H TRP A 121 -11.563 9.837 -6.192 1.00 0.00 H ATOM 1128 N LEU A 122 -11.906 6.571 -6.268 1.00 63.33 N ATOM 1129 CA LEU A 122 -11.724 5.135 -5.976 1.00 23.23 C ATOM 1130 C LEU A 122 -12.890 4.564 -5.135 1.00 52.23 C ATOM 1131 O LEU A 122 -12.841 3.394 -4.731 1.00 22.52 O ATOM 1132 CB LEU A 122 -10.362 4.889 -5.266 1.00 22.02 C ATOM 1133 CG LEU A 122 -9.074 5.249 -6.080 1.00 12.33 C ATOM 1134 CD1 LEU A 122 -7.799 4.846 -5.306 1.00 14.11 C ATOM 1135 CD2 LEU A 122 -9.093 4.618 -7.493 1.00 44.31 C ATOM 1136 H LEU A 122 -11.506 7.265 -5.604 1.00 0.00 H ATOM 1137 N ASP A 123 -13.936 5.385 -4.873 1.00 52.35 N ATOM 1138 CA ASP A 123 -15.174 4.911 -4.199 1.00 61.31 C ATOM 1139 C ASP A 123 -16.026 4.064 -5.175 1.00 3.20 C ATOM 1140 O ASP A 123 -15.955 4.257 -6.398 1.00 21.31 O ATOM 1141 CB ASP A 123 -16.009 6.101 -3.629 1.00 71.21 C ATOM 1142 CG ASP A 123 -15.295 6.907 -2.518 1.00 63.01 C ATOM 1143 OD1 ASP A 123 -14.524 6.317 -1.729 1.00 61.11 O ATOM 1144 OD2 ASP A 123 -15.553 8.128 -2.388 1.00 0.33 O ATOM 1145 H ASP A 123 -13.870 6.384 -5.154 1.00 0.00 H ATOM 1146 N GLY A 124 -16.817 3.120 -4.614 1.00 2.23 N ATOM 1147 CA GLY A 124 -17.582 2.138 -5.412 1.00 24.13 C ATOM 1148 C GLY A 124 -16.703 1.021 -5.979 1.00 41.02 C ATOM 1149 O GLY A 124 -17.118 0.272 -6.868 1.00 10.44 O ATOM 1150 H GLY A 124 -16.890 3.084 -3.577 1.00 0.00 H ATOM 1151 N LYS A 125 -15.490 0.926 -5.431 1.00 62.31 N ATOM 1152 CA LYS A 125 -14.421 0.012 -5.865 1.00 50.02 C ATOM 1153 C LYS A 125 -13.734 -0.573 -4.617 1.00 60.12 C ATOM 1154 O LYS A 125 -14.302 -0.505 -3.519 1.00 42.21 O ATOM 1155 CB LYS A 125 -13.431 0.742 -6.837 1.00 11.44 C ATOM 1156 CG LYS A 125 -13.931 0.810 -8.303 1.00 13.23 C ATOM 1157 CD LYS A 125 -12.979 1.588 -9.240 1.00 11.12 C ATOM 1158 CE LYS A 125 -12.865 3.072 -8.858 1.00 75.34 C ATOM 1159 NZ LYS A 125 -14.194 3.738 -8.786 1.00 0.44 N ATOM 1160 HZ1 LYS A 125 -14.661 3.678 -9.713 1.00 0.00 H ATOM 1161 HZ2 LYS A 125 -14.780 3.264 -8.070 1.00 0.00 H ATOM 1162 HZ3 LYS A 125 -14.066 4.737 -8.525 1.00 0.00 H ATOM 1163 H LYS A 125 -15.282 1.552 -4.627 1.00 0.00 H ATOM 1164 N HIS A 126 -12.517 -1.128 -4.787 1.00 14.03 N ATOM 1165 CA HIS A 126 -11.859 -1.989 -3.789 1.00 3.11 C ATOM 1166 C HIS A 126 -11.596 -1.229 -2.465 1.00 5.25 C ATOM 1167 O HIS A 126 -11.125 -0.085 -2.465 1.00 63.13 O ATOM 1168 CB HIS A 126 -10.530 -2.539 -4.418 1.00 44.13 C ATOM 1169 CG HIS A 126 -9.397 -2.743 -3.452 1.00 64.14 C ATOM 1170 ND1 HIS A 126 -9.375 -3.746 -2.521 1.00 24.23 N ATOM 1171 CD2 HIS A 126 -8.278 -2.025 -3.243 1.00 44.11 C ATOM 1172 CE1 HIS A 126 -8.311 -3.620 -1.770 1.00 12.13 C ATOM 1173 NE2 HIS A 126 -7.625 -2.594 -2.193 1.00 13.44 N ATOM 1174 H HIS A 126 -12.012 -0.937 -5.676 1.00 0.00 H ATOM 1175 N VAL A 127 -11.909 -1.920 -1.352 1.00 13.21 N ATOM 1176 CA VAL A 127 -11.969 -1.340 0.003 1.00 33.40 C ATOM 1177 C VAL A 127 -10.565 -1.125 0.612 1.00 62.11 C ATOM 1178 O VAL A 127 -9.626 -1.872 0.332 1.00 14.31 O ATOM 1179 CB VAL A 127 -12.842 -2.254 0.958 1.00 34.54 C ATOM 1180 CG1 VAL A 127 -12.204 -3.649 1.185 1.00 31.34 C ATOM 1181 CG2 VAL A 127 -13.156 -1.555 2.302 1.00 24.23 C ATOM 1182 H VAL A 127 -12.123 -2.932 -1.455 1.00 0.00 H ATOM 1183 N VAL A 128 -10.456 -0.079 1.439 1.00 21.32 N ATOM 1184 CA VAL A 128 -9.266 0.203 2.261 1.00 73.14 C ATOM 1185 C VAL A 128 -9.201 -0.823 3.416 1.00 34.12 C ATOM 1186 O VAL A 128 -10.237 -1.381 3.790 1.00 42.22 O ATOM 1187 CB VAL A 128 -9.347 1.663 2.844 1.00 33.43 C ATOM 1188 CG1 VAL A 128 -8.033 2.090 3.521 1.00 44.40 C ATOM 1189 CG2 VAL A 128 -9.789 2.676 1.762 1.00 74.34 C ATOM 1190 H VAL A 128 -11.261 0.576 1.506 1.00 0.00 H ATOM 1191 N PHE A 129 -8.008 -1.083 3.985 1.00 4.41 N ATOM 1192 CA PHE A 129 -7.896 -1.981 5.163 1.00 51.13 C ATOM 1193 C PHE A 129 -7.107 -1.328 6.297 1.00 4.44 C ATOM 1194 O PHE A 129 -7.255 -1.711 7.457 1.00 63.41 O ATOM 1195 CB PHE A 129 -7.290 -3.354 4.781 1.00 12.15 C ATOM 1196 CG PHE A 129 -5.844 -3.319 4.290 1.00 61.22 C ATOM 1197 CD1 PHE A 129 -4.782 -3.326 5.186 1.00 54.11 C ATOM 1198 CD2 PHE A 129 -5.554 -3.282 2.938 1.00 22.25 C ATOM 1199 CE1 PHE A 129 -3.489 -3.290 4.744 1.00 64.42 C ATOM 1200 CE2 PHE A 129 -4.252 -3.252 2.503 1.00 62.32 C ATOM 1201 CZ PHE A 129 -3.222 -3.255 3.400 1.00 35.04 C ATOM 1202 H PHE A 129 -7.149 -0.647 3.592 1.00 0.00 H ATOM 1203 N GLY A 130 -6.255 -0.360 5.944 1.00 41.13 N ATOM 1204 CA GLY A 130 -5.407 0.334 6.904 1.00 70.23 C ATOM 1205 C GLY A 130 -5.211 1.784 6.522 1.00 4.14 C ATOM 1206 O GLY A 130 -5.587 2.196 5.426 1.00 11.24 O ATOM 1207 H GLY A 130 -6.195 -0.091 4.941 1.00 0.00 H ATOM 1208 N LYS A 131 -4.619 2.560 7.417 1.00 74.12 N ATOM 1209 CA LYS A 131 -4.331 3.982 7.169 1.00 20.42 C ATOM 1210 C LYS A 131 -3.082 4.381 7.954 1.00 74.14 C ATOM 1211 O LYS A 131 -2.848 3.857 9.044 1.00 33.22 O ATOM 1212 CB LYS A 131 -5.533 4.864 7.602 1.00 3.22 C ATOM 1213 CG LYS A 131 -5.400 6.364 7.233 1.00 31.54 C ATOM 1214 CD LYS A 131 -6.393 7.265 8.001 1.00 35.54 C ATOM 1215 CE LYS A 131 -6.125 7.264 9.521 1.00 74.11 C ATOM 1216 NZ LYS A 131 -7.015 8.211 10.245 1.00 12.13 N ATOM 1217 HZ1 LYS A 131 -6.857 9.175 9.888 1.00 0.00 H ATOM 1218 HZ2 LYS A 131 -8.007 7.940 10.090 1.00 0.00 H ATOM 1219 HZ3 LYS A 131 -6.801 8.178 11.262 1.00 0.00 H ATOM 1220 H LYS A 131 -4.347 2.148 8.332 1.00 0.00 H ATOM 1221 N VAL A 132 -2.300 5.312 7.397 1.00 74.24 N ATOM 1222 CA VAL A 132 -1.131 5.883 8.064 1.00 1.12 C ATOM 1223 C VAL A 132 -1.569 6.621 9.340 1.00 31.22 C ATOM 1224 O VAL A 132 -2.281 7.632 9.274 1.00 44.33 O ATOM 1225 CB VAL A 132 -0.355 6.876 7.128 1.00 45.51 C ATOM 1226 CG1 VAL A 132 0.884 7.454 7.845 1.00 31.12 C ATOM 1227 CG2 VAL A 132 0.039 6.199 5.799 1.00 12.22 C ATOM 1228 H VAL A 132 -2.535 5.647 6.441 1.00 0.00 H ATOM 1229 N LYS A 133 -1.175 6.072 10.494 1.00 61.13 N ATOM 1230 CA LYS A 133 -1.433 6.696 11.801 1.00 1.14 C ATOM 1231 C LYS A 133 -0.236 7.587 12.184 1.00 34.22 C ATOM 1232 O LYS A 133 -0.403 8.636 12.815 1.00 12.12 O ATOM 1233 CB LYS A 133 -1.713 5.604 12.874 1.00 10.43 C ATOM 1234 CG LYS A 133 -0.581 4.570 13.032 1.00 10.31 C ATOM 1235 CD LYS A 133 -0.900 3.451 14.046 1.00 3.21 C ATOM 1236 CE LYS A 133 -1.100 3.953 15.486 1.00 13.15 C ATOM 1237 NZ LYS A 133 -1.220 2.820 16.450 1.00 54.24 N ATOM 1238 HZ1 LYS A 133 -2.037 2.231 16.190 1.00 0.00 H ATOM 1239 HZ2 LYS A 133 -0.353 2.246 16.419 1.00 0.00 H ATOM 1240 HZ3 LYS A 133 -1.354 3.196 17.410 1.00 0.00 H ATOM 1241 H LYS A 133 -0.665 5.166 10.466 1.00 0.00 H ATOM 1242 N GLU A 134 0.980 7.150 11.779 1.00 3.04 N ATOM 1243 CA GLU A 134 2.256 7.844 12.059 1.00 33.14 C ATOM 1244 C GLU A 134 3.174 7.737 10.823 1.00 13.02 C ATOM 1245 O GLU A 134 3.279 6.660 10.233 1.00 41.50 O ATOM 1246 CB GLU A 134 2.968 7.204 13.292 1.00 4.40 C ATOM 1247 CG GLU A 134 2.136 7.194 14.598 1.00 3.12 C ATOM 1248 CD GLU A 134 2.766 6.360 15.724 1.00 24.55 C ATOM 1249 OE1 GLU A 134 2.545 5.129 15.766 1.00 41.23 O ATOM 1250 OE2 GLU A 134 3.496 6.923 16.563 1.00 64.32 O ATOM 1251 H GLU A 134 1.020 6.265 11.233 1.00 0.00 H ATOM 1252 N GLY A 135 3.822 8.858 10.443 1.00 14.35 N ATOM 1253 CA GLY A 135 4.790 8.875 9.338 1.00 34.25 C ATOM 1254 C GLY A 135 4.193 9.305 8.003 1.00 21.53 C ATOM 1255 O GLY A 135 4.733 8.962 6.948 1.00 62.34 O ATOM 1256 H GLY A 135 3.629 9.744 10.952 1.00 0.00 H ATOM 1257 N MET A 136 3.086 10.081 8.040 1.00 72.24 N ATOM 1258 CA MET A 136 2.403 10.576 6.818 1.00 5.13 C ATOM 1259 C MET A 136 3.303 11.554 6.036 1.00 32.10 C ATOM 1260 O MET A 136 3.259 11.616 4.800 1.00 43.22 O ATOM 1261 CB MET A 136 1.045 11.231 7.185 1.00 12.24 C ATOM 1262 CG MET A 136 0.228 11.699 5.969 1.00 44.41 C ATOM 1263 SD MET A 136 -0.057 10.359 4.789 1.00 23.51 S ATOM 1264 CE MET A 136 -0.740 11.255 3.401 1.00 2.31 C ATOM 1265 H MET A 136 2.695 10.343 8.967 1.00 0.00 H ATOM 1266 N ASN A 137 4.129 12.292 6.784 1.00 62.44 N ATOM 1267 CA ASN A 137 5.163 13.183 6.232 1.00 64.01 C ATOM 1268 C ASN A 137 6.205 12.394 5.397 1.00 1.11 C ATOM 1269 O ASN A 137 6.684 12.884 4.371 1.00 40.04 O ATOM 1270 CB ASN A 137 5.829 13.975 7.391 1.00 4.54 C ATOM 1271 CG ASN A 137 6.382 13.076 8.509 1.00 43.12 C ATOM 1272 OD1 ASN A 137 5.650 12.681 9.419 1.00 31.33 O ATOM 1273 ND2 ASN A 137 7.667 12.754 8.460 1.00 64.14 N ATOM 1274 HD22 ASN A 137 8.261 13.102 7.680 1.00 0.00 H ATOM 1275 HD21 ASN A 137 8.081 12.154 9.201 1.00 0.00 H ATOM 1276 H ASN A 137 4.036 12.233 7.818 1.00 0.00 H ATOM 1277 N ILE A 138 6.513 11.157 5.834 1.00 5.43 N ATOM 1278 CA ILE A 138 7.445 10.252 5.127 1.00 31.24 C ATOM 1279 C ILE A 138 6.775 9.663 3.862 1.00 35.41 C ATOM 1280 O ILE A 138 7.437 9.435 2.852 1.00 73.44 O ATOM 1281 CB ILE A 138 7.938 9.092 6.078 1.00 13.12 C ATOM 1282 CG1 ILE A 138 8.632 9.673 7.348 1.00 12.30 C ATOM 1283 CG2 ILE A 138 8.881 8.099 5.355 1.00 73.42 C ATOM 1284 CD1 ILE A 138 9.877 10.514 7.078 1.00 42.14 C ATOM 1285 H ILE A 138 6.072 10.821 6.714 1.00 0.00 H ATOM 1286 N VAL A 139 5.451 9.449 3.937 1.00 35.25 N ATOM 1287 CA VAL A 139 4.640 8.923 2.819 1.00 15.34 C ATOM 1288 C VAL A 139 4.585 9.937 1.653 1.00 23.23 C ATOM 1289 O VAL A 139 4.759 9.576 0.477 1.00 23.33 O ATOM 1290 CB VAL A 139 3.191 8.556 3.317 1.00 21.53 C ATOM 1291 CG1 VAL A 139 2.267 8.115 2.165 1.00 41.34 C ATOM 1292 CG2 VAL A 139 3.261 7.462 4.405 1.00 33.24 C ATOM 1293 H VAL A 139 4.969 9.666 4.833 1.00 0.00 H ATOM 1294 N GLU A 140 4.376 11.212 2.004 1.00 72.21 N ATOM 1295 CA GLU A 140 4.357 12.322 1.033 1.00 41.01 C ATOM 1296 C GLU A 140 5.787 12.702 0.609 1.00 52.41 C ATOM 1297 O GLU A 140 5.976 13.337 -0.429 1.00 50.25 O ATOM 1298 CB GLU A 140 3.596 13.534 1.616 1.00 4.13 C ATOM 1299 CG GLU A 140 2.126 13.224 1.967 1.00 14.25 C ATOM 1300 CD GLU A 140 1.389 14.414 2.596 1.00 52.12 C ATOM 1301 OE1 GLU A 140 1.774 14.826 3.709 1.00 72.23 O ATOM 1302 OE2 GLU A 140 0.430 14.945 1.989 1.00 62.24 O ATOM 1303 H GLU A 140 4.220 11.430 3.009 1.00 0.00 H ATOM 1304 N ALA A 141 6.790 12.308 1.423 1.00 42.54 N ATOM 1305 CA ALA A 141 8.204 12.394 1.029 1.00 22.25 C ATOM 1306 C ALA A 141 8.521 11.347 -0.059 1.00 42.51 C ATOM 1307 O ALA A 141 9.274 11.639 -0.991 1.00 4.20 O ATOM 1308 CB ALA A 141 9.123 12.231 2.249 1.00 40.42 C ATOM 1309 H ALA A 141 6.554 11.930 2.363 1.00 0.00 H ATOM 1310 N MET A 142 7.907 10.138 0.060 1.00 71.40 N ATOM 1311 CA MET A 142 8.017 9.069 -0.965 1.00 64.04 C ATOM 1312 C MET A 142 7.400 9.535 -2.292 1.00 50.01 C ATOM 1313 O MET A 142 7.926 9.252 -3.374 1.00 20.01 O ATOM 1314 CB MET A 142 7.308 7.753 -0.524 1.00 72.43 C ATOM 1315 CG MET A 142 7.905 7.063 0.697 1.00 4.12 C ATOM 1316 SD MET A 142 7.234 5.399 0.954 1.00 74.44 S ATOM 1317 CE MET A 142 5.488 5.707 1.215 1.00 24.40 C ATOM 1318 H MET A 142 7.334 9.954 0.908 1.00 0.00 H ATOM 1319 N GLU A 143 6.272 10.255 -2.161 1.00 54.12 N ATOM 1320 CA GLU A 143 5.527 10.837 -3.284 1.00 21.14 C ATOM 1321 C GLU A 143 6.424 11.752 -4.157 1.00 53.42 C ATOM 1322 O GLU A 143 6.312 11.763 -5.390 1.00 44.01 O ATOM 1323 CB GLU A 143 4.336 11.639 -2.725 1.00 21.44 C ATOM 1324 CG GLU A 143 3.402 12.233 -3.790 1.00 22.43 C ATOM 1325 CD GLU A 143 2.481 13.331 -3.250 1.00 61.24 C ATOM 1326 OE1 GLU A 143 3.002 14.292 -2.654 1.00 41.04 O ATOM 1327 OE2 GLU A 143 1.249 13.255 -3.432 1.00 0.13 O ATOM 1328 H GLU A 143 5.903 10.410 -1.201 1.00 0.00 H ATOM 1329 N ARG A 144 7.342 12.479 -3.486 1.00 1.33 N ATOM 1330 CA ARG A 144 8.246 13.457 -4.127 1.00 70.31 C ATOM 1331 C ARG A 144 9.376 12.784 -4.938 1.00 11.20 C ATOM 1332 O ARG A 144 10.132 13.472 -5.630 1.00 14.13 O ATOM 1333 CB ARG A 144 8.834 14.431 -3.070 1.00 10.34 C ATOM 1334 CG ARG A 144 7.772 15.252 -2.306 1.00 71.32 C ATOM 1335 CD ARG A 144 8.385 16.253 -1.308 1.00 65.25 C ATOM 1336 NE ARG A 144 9.335 15.614 -0.380 1.00 41.30 N ATOM 1337 CZ ARG A 144 9.551 15.967 0.897 1.00 61.42 C ATOM 1338 NH1 ARG A 144 8.882 16.972 1.462 1.00 54.01 N ATOM 1339 NH2 ARG A 144 10.459 15.304 1.595 1.00 21.55 N ATOM 1340 HE ARG A 144 9.890 14.815 -0.749 1.00 0.00 H ATOM 1341 HH12 ARG A 144 9.066 17.227 2.453 1.00 0.00 H ATOM 1342 HH11 ARG A 144 8.176 17.501 0.912 1.00 0.00 H ATOM 1343 HH22 ARG A 144 10.643 15.561 2.586 1.00 0.00 H ATOM 1344 HH21 ARG A 144 10.989 14.526 1.153 1.00 0.00 H ATOM 1345 H ARG A 144 7.418 12.343 -2.458 1.00 0.00 H ATOM 1346 N PHE A 145 9.517 11.459 -4.823 1.00 74.51 N ATOM 1347 CA PHE A 145 10.475 10.684 -5.641 1.00 72.15 C ATOM 1348 C PHE A 145 9.771 10.039 -6.856 1.00 63.53 C ATOM 1349 O PHE A 145 10.431 9.436 -7.714 1.00 3.23 O ATOM 1350 CB PHE A 145 11.159 9.610 -4.770 1.00 22.33 C ATOM 1351 CG PHE A 145 11.932 10.174 -3.574 1.00 21.00 C ATOM 1352 CD1 PHE A 145 13.056 10.972 -3.764 1.00 32.42 C ATOM 1353 CD2 PHE A 145 11.554 9.886 -2.269 1.00 61.55 C ATOM 1354 CE1 PHE A 145 13.774 11.456 -2.692 1.00 32.12 C ATOM 1355 CE2 PHE A 145 12.267 10.378 -1.199 1.00 14.30 C ATOM 1356 CZ PHE A 145 13.380 11.157 -1.410 1.00 12.20 C ATOM 1357 H PHE A 145 8.929 10.953 -4.130 1.00 0.00 H ATOM 1358 N GLY A 146 8.434 10.188 -6.921 1.00 14.24 N ATOM 1359 CA GLY A 146 7.626 9.628 -8.006 1.00 73.22 C ATOM 1360 C GLY A 146 7.403 10.605 -9.154 1.00 71.54 C ATOM 1361 O GLY A 146 7.730 11.792 -9.054 1.00 22.03 O ATOM 1362 H GLY A 146 7.955 10.723 -6.169 1.00 0.00 H ATOM 1363 N SER A 147 6.827 10.087 -10.246 1.00 13.30 N ATOM 1364 CA SER A 147 6.568 10.836 -11.490 1.00 41.41 C ATOM 1365 C SER A 147 5.130 10.558 -11.970 1.00 41.30 C ATOM 1366 O SER A 147 4.549 9.529 -11.618 1.00 2.11 O ATOM 1367 CB SER A 147 7.599 10.447 -12.573 1.00 73.11 C ATOM 1368 OG SER A 147 8.929 10.587 -12.098 1.00 2.33 O ATOM 1369 HG SER A 147 9.563 10.331 -12.814 1.00 0.00 H ATOM 1370 H SER A 147 6.542 9.087 -10.215 1.00 0.00 H ATOM 1371 N ARG A 148 4.574 11.481 -12.773 1.00 2.23 N ATOM 1372 CA ARG A 148 3.151 11.462 -13.193 1.00 52.43 C ATOM 1373 C ARG A 148 2.773 10.169 -13.953 1.00 64.21 C ATOM 1374 O ARG A 148 1.679 9.633 -13.754 1.00 22.43 O ATOM 1375 CB ARG A 148 2.829 12.720 -14.052 1.00 1.11 C ATOM 1376 CG ARG A 148 2.928 14.053 -13.276 1.00 74.40 C ATOM 1377 CD ARG A 148 1.839 14.212 -12.192 1.00 43.54 C ATOM 1378 NE ARG A 148 2.053 15.424 -11.377 1.00 0.24 N ATOM 1379 CZ ARG A 148 1.094 16.201 -10.842 1.00 42.40 C ATOM 1380 NH1 ARG A 148 -0.195 15.932 -11.013 1.00 44.21 N ATOM 1381 NH2 ARG A 148 1.441 17.254 -10.121 1.00 14.20 N ATOM 1382 HE ARG A 148 3.039 15.704 -11.200 1.00 0.00 H ATOM 1383 HH12 ARG A 148 -0.916 16.550 -10.588 1.00 0.00 H ATOM 1384 HH11 ARG A 148 -0.484 15.104 -11.572 1.00 0.00 H ATOM 1385 HH22 ARG A 148 0.708 17.862 -9.702 1.00 0.00 H ATOM 1386 HH21 ARG A 148 2.447 17.474 -9.973 1.00 0.00 H ATOM 1387 H ARG A 148 5.177 12.254 -13.121 1.00 0.00 H ATOM 1388 N ASN A 149 3.698 9.670 -14.790 1.00 41.14 N ATOM 1389 CA ASN A 149 3.498 8.435 -15.592 1.00 72.00 C ATOM 1390 C ASN A 149 3.534 7.161 -14.711 1.00 3.22 C ATOM 1391 O ASN A 149 3.136 6.080 -15.160 1.00 44.24 O ATOM 1392 CB ASN A 149 4.571 8.331 -16.719 1.00 21.55 C ATOM 1393 CG ASN A 149 6.017 8.232 -16.204 1.00 14.41 C ATOM 1394 OD1 ASN A 149 6.350 8.765 -15.146 1.00 22.22 O ATOM 1395 ND2 ASN A 149 6.890 7.560 -16.948 1.00 42.24 N ATOM 1396 HD22 ASN A 149 6.583 7.119 -17.838 1.00 0.00 H ATOM 1397 HD21 ASN A 149 7.880 7.476 -16.640 1.00 0.00 H ATOM 1398 H ASN A 149 4.602 10.175 -14.882 1.00 0.00 H ATOM 1399 N GLY A 150 4.030 7.306 -13.467 1.00 52.10 N ATOM 1400 CA GLY A 150 4.162 6.196 -12.514 1.00 11.02 C ATOM 1401 C GLY A 150 5.616 5.856 -12.211 1.00 64.20 C ATOM 1402 O GLY A 150 5.887 4.977 -11.385 1.00 15.54 O ATOM 1403 H GLY A 150 4.335 8.253 -13.166 1.00 0.00 H ATOM 1404 N LYS A 151 6.549 6.554 -12.886 1.00 44.10 N ATOM 1405 CA LYS A 151 8.003 6.339 -12.733 1.00 51.34 C ATOM 1406 C LYS A 151 8.483 6.771 -11.335 1.00 0.44 C ATOM 1407 O LYS A 151 7.945 7.698 -10.752 1.00 60.20 O ATOM 1408 CB LYS A 151 8.765 7.124 -13.837 1.00 24.30 C ATOM 1409 CG LYS A 151 10.303 6.984 -13.812 1.00 73.34 C ATOM 1410 CD LYS A 151 10.994 7.778 -14.947 1.00 61.14 C ATOM 1411 CE LYS A 151 12.527 7.677 -14.884 1.00 32.01 C ATOM 1412 NZ LYS A 151 13.194 8.393 -16.008 1.00 11.33 N ATOM 1413 HZ1 LYS A 151 12.883 7.983 -16.912 1.00 0.00 H ATOM 1414 HZ2 LYS A 151 12.938 9.400 -15.976 1.00 0.00 H ATOM 1415 HZ3 LYS A 151 14.225 8.293 -15.918 1.00 0.00 H ATOM 1416 H LYS A 151 6.228 7.285 -13.552 1.00 0.00 H ATOM 1417 N THR A 152 9.488 6.066 -10.801 1.00 24.34 N ATOM 1418 CA THR A 152 10.158 6.437 -9.548 1.00 64.14 C ATOM 1419 C THR A 152 11.649 6.675 -9.824 1.00 52.35 C ATOM 1420 O THR A 152 12.374 5.760 -10.222 1.00 63.11 O ATOM 1421 CB THR A 152 9.951 5.347 -8.449 1.00 1.55 C ATOM 1422 OG1 THR A 152 10.221 4.044 -8.988 1.00 53.14 O ATOM 1423 CG2 THR A 152 8.519 5.381 -7.893 1.00 70.42 C ATOM 1424 HG1 THR A 152 11.157 4.008 -9.309 1.00 0.00 H ATOM 1425 H THR A 152 9.811 5.212 -11.299 1.00 0.00 H ATOM 1426 N SER A 153 12.073 7.935 -9.646 1.00 14.41 N ATOM 1427 CA SER A 153 13.462 8.375 -9.838 1.00 24.24 C ATOM 1428 C SER A 153 14.395 7.755 -8.772 1.00 52.44 C ATOM 1429 O SER A 153 15.599 7.594 -9.002 1.00 74.11 O ATOM 1430 CB SER A 153 13.498 9.925 -9.794 1.00 15.40 C ATOM 1431 OG SER A 153 14.797 10.440 -10.017 1.00 41.14 O ATOM 1432 HG SER A 153 15.410 10.099 -9.319 1.00 0.00 H ATOM 1433 H SER A 153 11.373 8.647 -9.353 1.00 0.00 H ATOM 1434 N LYS A 154 13.813 7.394 -7.613 1.00 2.03 N ATOM 1435 CA LYS A 154 14.537 6.787 -6.483 1.00 0.32 C ATOM 1436 C LYS A 154 13.951 5.419 -6.122 1.00 32.33 C ATOM 1437 O LYS A 154 12.751 5.179 -6.309 1.00 42.21 O ATOM 1438 CB LYS A 154 14.490 7.735 -5.264 1.00 71.54 C ATOM 1439 CG LYS A 154 15.365 9.001 -5.408 1.00 22.24 C ATOM 1440 CD LYS A 154 16.859 8.658 -5.544 1.00 71.43 C ATOM 1441 CE LYS A 154 17.784 9.872 -5.428 1.00 13.14 C ATOM 1442 NZ LYS A 154 19.207 9.441 -5.399 1.00 35.41 N ATOM 1443 HZ1 LYS A 154 19.362 8.817 -4.581 1.00 0.00 H ATOM 1444 HZ2 LYS A 154 19.430 8.928 -6.275 1.00 0.00 H ATOM 1445 HZ3 LYS A 154 19.820 10.278 -5.320 1.00 0.00 H ATOM 1446 H LYS A 154 12.791 7.553 -7.509 1.00 0.00 H ATOM 1447 N LYS A 155 14.815 4.526 -5.588 1.00 21.51 N ATOM 1448 CA LYS A 155 14.423 3.152 -5.224 1.00 42.01 C ATOM 1449 C LYS A 155 14.010 3.091 -3.747 1.00 64.24 C ATOM 1450 O LYS A 155 14.837 2.871 -2.857 1.00 34.01 O ATOM 1451 CB LYS A 155 15.581 2.160 -5.526 1.00 32.14 C ATOM 1452 CG LYS A 155 15.242 0.657 -5.321 1.00 74.12 C ATOM 1453 CD LYS A 155 14.060 0.149 -6.196 1.00 2.24 C ATOM 1454 CE LYS A 155 14.225 0.475 -7.697 1.00 34.10 C ATOM 1455 NZ LYS A 155 15.559 0.080 -8.224 1.00 33.31 N ATOM 1456 HZ1 LYS A 155 16.301 0.589 -7.702 1.00 0.00 H ATOM 1457 HZ2 LYS A 155 15.689 -0.945 -8.103 1.00 0.00 H ATOM 1458 HZ3 LYS A 155 15.617 0.321 -9.234 1.00 0.00 H ATOM 1459 H LYS A 155 15.799 4.821 -5.427 1.00 0.00 H ATOM 1460 N ILE A 156 12.717 3.286 -3.498 1.00 43.11 N ATOM 1461 CA ILE A 156 12.162 3.324 -2.145 1.00 75.34 C ATOM 1462 C ILE A 156 11.754 1.907 -1.726 1.00 33.21 C ATOM 1463 O ILE A 156 10.754 1.404 -2.185 1.00 62.33 O ATOM 1464 CB ILE A 156 10.933 4.286 -2.076 1.00 4.34 C ATOM 1465 CG1 ILE A 156 11.306 5.675 -2.671 1.00 11.31 C ATOM 1466 CG2 ILE A 156 10.406 4.414 -0.625 1.00 43.12 C ATOM 1467 CD1 ILE A 156 10.154 6.638 -2.759 1.00 12.30 C ATOM 1468 H ILE A 156 12.071 3.417 -4.303 1.00 0.00 H ATOM 1469 N THR A 157 12.569 1.255 -0.903 1.00 73.31 N ATOM 1470 CA THR A 157 12.301 -0.100 -0.394 1.00 43.41 C ATOM 1471 C THR A 157 11.940 -0.043 1.100 1.00 14.34 C ATOM 1472 O THR A 157 12.472 0.801 1.832 1.00 31.12 O ATOM 1473 CB THR A 157 13.560 -1.003 -0.608 1.00 51.34 C ATOM 1474 OG1 THR A 157 14.713 -0.380 -0.008 1.00 55.23 O ATOM 1475 CG2 THR A 157 13.833 -1.253 -2.104 1.00 50.42 C ATOM 1476 HG1 THR A 157 14.555 -0.261 0.962 1.00 0.00 H ATOM 1477 H THR A 157 13.445 1.728 -0.602 1.00 0.00 H ATOM 1478 N ILE A 158 11.029 -0.929 1.544 1.00 72.21 N ATOM 1479 CA ILE A 158 10.743 -1.124 2.975 1.00 5.50 C ATOM 1480 C ILE A 158 11.957 -1.822 3.632 1.00 24.03 C ATOM 1481 O ILE A 158 12.100 -3.047 3.546 1.00 41.32 O ATOM 1482 CB ILE A 158 9.414 -1.951 3.206 1.00 31.12 C ATOM 1483 CG1 ILE A 158 8.170 -1.139 2.715 1.00 25.20 C ATOM 1484 CG2 ILE A 158 9.257 -2.377 4.689 1.00 22.12 C ATOM 1485 CD1 ILE A 158 6.818 -1.809 2.948 1.00 20.53 C ATOM 1486 H ILE A 158 10.506 -1.499 0.848 1.00 0.00 H ATOM 1487 N ALA A 159 12.845 -1.007 4.234 1.00 15.53 N ATOM 1488 CA ALA A 159 14.095 -1.463 4.875 1.00 42.40 C ATOM 1489 C ALA A 159 13.847 -2.598 5.878 1.00 42.44 C ATOM 1490 O ALA A 159 14.430 -3.683 5.758 1.00 50.30 O ATOM 1491 CB ALA A 159 14.783 -0.280 5.573 1.00 40.11 C ATOM 1492 H ALA A 159 12.636 0.012 4.248 1.00 0.00 H ATOM 1493 N ASP A 160 12.934 -2.358 6.829 1.00 5.53 N ATOM 1494 CA ASP A 160 12.675 -3.307 7.922 1.00 31.42 C ATOM 1495 C ASP A 160 11.182 -3.289 8.314 1.00 13.13 C ATOM 1496 O ASP A 160 10.417 -2.435 7.855 1.00 61.21 O ATOM 1497 CB ASP A 160 13.613 -2.980 9.128 1.00 35.53 C ATOM 1498 CG ASP A 160 13.832 -4.182 10.062 1.00 51.12 C ATOM 1499 OD1 ASP A 160 14.555 -5.114 9.670 1.00 21.45 O ATOM 1500 OD2 ASP A 160 13.251 -4.232 11.158 1.00 73.12 O ATOM 1501 H ASP A 160 12.391 -1.472 6.793 1.00 0.00 H ATOM 1502 N CYS A 161 10.789 -4.263 9.143 1.00 35.12 N ATOM 1503 CA CYS A 161 9.405 -4.469 9.613 1.00 75.13 C ATOM 1504 C CYS A 161 9.442 -4.743 11.126 1.00 50.13 C ATOM 1505 O CYS A 161 10.489 -4.557 11.752 1.00 14.23 O ATOM 1506 CB CYS A 161 8.761 -5.625 8.816 1.00 14.02 C ATOM 1507 SG CYS A 161 9.727 -7.151 8.807 1.00 3.24 S ATOM 1508 H CYS A 161 11.515 -4.926 9.482 1.00 0.00 H ATOM 1509 N GLY A 162 8.318 -5.169 11.734 1.00 54.33 N ATOM 1510 CA GLY A 162 8.260 -5.297 13.202 1.00 74.24 C ATOM 1511 C GLY A 162 7.017 -4.655 13.776 1.00 74.21 C ATOM 1512 O GLY A 162 7.112 -3.725 14.579 1.00 41.31 O ATOM 1513 H GLY A 162 7.483 -5.410 11.163 1.00 0.00 H ATOM 1514 N GLN A 163 5.852 -5.118 13.281 1.00 34.04 N ATOM 1515 CA GLN A 163 4.532 -4.550 13.607 1.00 22.43 C ATOM 1516 C GLN A 163 4.321 -4.308 15.125 1.00 53.13 C ATOM 1517 O GLN A 163 4.668 -5.150 15.968 1.00 72.14 O ATOM 1518 CB GLN A 163 3.389 -5.455 13.066 1.00 13.43 C ATOM 1519 CG GLN A 163 3.283 -6.863 13.696 1.00 11.01 C ATOM 1520 CD GLN A 163 1.937 -7.555 13.445 1.00 40.13 C ATOM 1521 OE1 GLN A 163 1.861 -8.778 13.317 1.00 61.12 O ATOM 1522 NE2 GLN A 163 0.850 -6.782 13.432 1.00 4.03 N ATOM 1523 HE22 GLN A 163 0.943 -5.752 13.542 1.00 0.00 H ATOM 1524 HE21 GLN A 163 -0.091 -7.209 13.312 1.00 0.00 H ATOM 1525 H GLN A 163 5.887 -5.927 12.628 1.00 0.00 H ATOM 1526 N LEU A 164 3.765 -3.129 15.456 1.00 30.03 N ATOM 1527 CA LEU A 164 3.461 -2.753 16.839 1.00 15.22 C ATOM 1528 C LEU A 164 2.114 -3.384 17.239 1.00 10.01 C ATOM 1529 O LEU A 164 1.044 -2.887 16.882 1.00 3.33 O ATOM 1530 CB LEU A 164 3.458 -1.205 16.987 1.00 1.31 C ATOM 1531 CG LEU A 164 4.797 -0.491 16.607 1.00 40.13 C ATOM 1532 CD1 LEU A 164 4.683 1.038 16.760 1.00 44.12 C ATOM 1533 CD2 LEU A 164 5.990 -1.052 17.423 1.00 15.22 C ATOM 1534 H LEU A 164 3.541 -2.454 14.697 1.00 0.00 H ATOM 1535 N GLU A 165 2.194 -4.502 17.961 1.00 13.41 N ATOM 1536 CA GLU A 165 1.036 -5.299 18.351 1.00 1.24 C ATOM 1537 C GLU A 165 1.365 -5.968 19.715 1.00 64.02 C ATOM 1538 O GLU A 165 1.812 -7.132 19.754 1.00 31.35 O ATOM 1539 CB GLU A 165 0.705 -6.325 17.216 1.00 41.25 C ATOM 1540 CG GLU A 165 -0.645 -7.054 17.367 1.00 22.01 C ATOM 1541 CD GLU A 165 -0.834 -8.196 16.348 1.00 2.31 C ATOM 1542 OE1 GLU A 165 -1.186 -7.926 15.190 1.00 52.13 O ATOM 1543 OE2 GLU A 165 -0.647 -9.375 16.708 1.00 51.12 O ATOM 1544 OXT GLU A 165 1.228 -5.285 20.751 1.00 38.19 O ATOM 1545 H GLU A 165 3.135 -4.824 18.263 1.00 0.00 H TER 1546 GLU A 165 HETATM 1547 N PRO A 1 -2.048 -0.196 -16.894 1.00 0.25 N HETATM 1548 CA PRO A 1 -1.556 -1.404 -17.620 1.00 0.07 C HETATM 1549 C PRO A 1 -0.861 -2.377 -16.641 1.00 0.23 C HETATM 1550 O PRO A 1 0.044 -3.131 -17.019 1.00 -0.39 O HETATM 1551 N PRO A 1 -1.332 -2.368 -15.388 1.00 -0.26 N HETATM 1552 CA PRO A 1 -0.768 -3.157 -14.280 1.00 0.13 C HETATM 1553 C PRO A 1 -1.818 -3.211 -13.140 1.00 0.21 C HETATM 1554 O PRO A 1 -2.790 -2.430 -13.165 1.00 -0.39 O HETATM 1555 N PRO A 1 -1.690 -4.150 -12.155 1.00 -0.25 N HETATM 1556 CA PRO A 1 -2.534 -4.125 -10.943 1.00 0.13 C HETATM 1557 C PRO A 1 -2.208 -2.893 -10.061 1.00 0.20 C HETATM 1558 O PRO A 1 -1.260 -2.908 -9.266 1.00 -0.39 O HETATM 1559 N PRO A 1 -2.979 -1.815 -10.266 1.00 -0.27 N HETATM 1560 CA PRO A 1 -2.793 -0.562 -9.542 1.00 0.12 C HETATM 1561 C PRO A 1 -3.813 0.504 -9.969 1.00 0.20 C HETATM 1562 O PRO A 1 -4.215 0.523 -11.138 1.00 -0.39 O HETATM 1563 N PRO A 1 -4.244 1.421 -9.037 1.00 -0.25 N HETATM 1564 CA PRO A 1 -5.264 2.479 -9.320 1.00 0.13 C HETATM 1565 C PRO A 1 -4.769 3.569 -10.300 1.00 0.20 C HETATM 1566 O PRO A 1 -3.562 3.716 -10.530 1.00 -0.39 O HETATM 1567 N PRO A 1 -5.721 4.357 -10.845 1.00 -0.26 N HETATM 1568 CA PRO A 1 -5.444 5.399 -11.861 1.00 0.14 C HETATM 1569 C PRO A 1 -6.062 6.745 -11.457 1.00 0.21 C HETATM 1570 O PRO A 1 -7.019 6.794 -10.667 1.00 -0.39 O HETATM 1571 N PRO A 1 -5.484 7.812 -12.026 1.00 -0.26 N HETATM 1572 CA PRO A 1 -5.955 9.196 -11.891 1.00 0.13 C HETATM 1573 C PRO A 1 -5.167 10.102 -12.836 1.00 0.20 C HETATM 1574 O PRO A 1 -4.193 9.657 -13.465 1.00 -0.39 O HETATM 1575 N PRO A 1 -5.601 11.383 -12.905 1.00 -0.26 N HETATM 1576 CA PRO A 1 -4.892 12.462 -13.616 1.00 0.13 C HETATM 1577 C PRO A 1 -4.818 12.179 -15.139 1.00 0.21 C HETATM 1578 O PRO A 1 -3.859 11.554 -15.609 1.00 -0.39 O HETATM 1579 N PRO A 1 -5.876 12.595 -15.917 1.00 -0.26 N HETATM 1580 CA PRO A 1 -5.968 12.344 -17.381 1.00 0.10 C HETATM 1581 C PRO A 1 -4.792 12.971 -18.182 1.00 0.06 C HETATM 1582 O PRO A 1 -4.035 12.227 -18.833 1.00 -0.57 O HETATM 1583 OXT PRO A 1 -4.617 14.201 -18.136 1.00 -0.57 O HETATM 1584 CB PRO A 1 -7.335 12.978 -17.773 1.00 -0.02 C HETATM 1585 CG PRO A 1 -8.106 13.055 -16.489 1.00 -0.03 C HETATM 1586 CD PRO A 1 -7.073 13.329 -15.422 1.00 0.04 C HETATM 1587 H60 PRO A 1 -6.869 14.406 -15.337 1.00 0.05 H HETATM 1588 H61 PRO A 1 -7.400 12.940 -14.446 1.00 0.05 H HETATM 1589 H58 PRO A 1 -8.622 12.104 -16.291 1.00 0.03 H HETATM 1590 H59 PRO A 1 -8.843 13.870 -16.530 1.00 0.03 H HETATM 1591 H56 PRO A 1 -7.861 12.345 -18.503 1.00 0.03 H HETATM 1592 H57 PRO A 1 -7.189 13.982 -18.197 1.00 0.03 H HETATM 1593 H55 PRO A 1 -5.981 11.261 -17.576 1.00 0.07 H HETATM 1594 CB PRO A 1 -3.489 12.695 -12.992 1.00 0.00 C HETATM 1595 CG PRO A 1 -3.520 13.127 -11.507 1.00 0.04 C HETATM 1596 CD PRO A 1 -2.144 13.143 -10.838 1.00 0.17 C HETATM 1597 OE1 PRO A 1 -1.119 13.303 -11.493 1.00 -0.40 O HETATM 1598 NE2 PRO A 1 -2.114 13.016 -9.523 1.00 -0.30 N HETATM 1599 H53 PRO A 1 -1.238 13.021 -9.040 1.00 0.18 H HETATM 1600 H54 PRO A 1 -2.967 12.915 -9.011 1.00 0.18 H HETATM 1601 H51 PRO A 1 -4.165 12.427 -10.956 1.00 0.05 H HETATM 1602 H52 PRO A 1 -3.945 14.140 -11.450 1.00 0.05 H HETATM 1603 H49 PRO A 1 -2.981 13.481 -13.569 1.00 0.03 H HETATM 1604 H50 PRO A 1 -2.918 11.758 -13.067 1.00 0.03 H HETATM 1605 H48 PRO A 1 -5.471 13.387 -13.482 1.00 0.08 H HETATM 1606 H47 PRO A 1 -6.458 11.612 -12.444 1.00 0.19 H HETATM 1607 CB PRO A 1 -5.807 9.708 -10.452 1.00 -0.02 C HETATM 1608 H44 PRO A 1 -6.170 10.745 -10.393 1.00 0.03 H HETATM 1609 H45 PRO A 1 -4.748 9.672 -10.157 1.00 0.03 H HETATM 1610 H46 PRO A 1 -6.398 9.074 -9.775 1.00 0.03 H HETATM 1611 H43 PRO A 1 -7.019 9.231 -12.167 1.00 0.08 H HETATM 1612 H42 PRO A 1 -4.670 7.653 -12.585 1.00 0.19 H HETATM 1613 CB PRO A 1 -6.000 4.972 -13.245 1.00 0.02 C HETATM 1614 CG PRO A 1 -5.475 3.612 -13.705 1.00 -0.05 C HETATM 1615 CD1 PRO A 1 -4.143 3.451 -14.085 1.00 -0.07 C HETATM 1616 CE1 PRO A 1 -3.657 2.219 -14.455 1.00 -0.04 C HETATM 1617 CZ PRO A 1 -4.485 1.121 -14.439 1.00 0.08 C HETATM 1618 CE2 PRO A 1 -5.801 1.250 -14.061 1.00 -0.04 C HETATM 1619 CD2 PRO A 1 -6.293 2.481 -13.703 1.00 -0.07 C HETATM 1620 H38 PRO A 1 -7.333 2.576 -13.414 1.00 0.05 H HETATM 1621 H40 PRO A 1 -6.449 0.381 -14.046 1.00 0.05 H HETATM 1622 OH PRO A 1 -3.988 -0.122 -14.767 1.00 -0.34 O HETATM 1623 H41 PRO A 1 -3.071 -0.043 -15.004 1.00 0.25 H HETATM 1624 H39 PRO A 1 -2.622 2.113 -14.759 1.00 0.05 H HETATM 1625 H37 PRO A 1 -3.481 4.309 -14.089 1.00 0.05 H HETATM 1626 H35 PRO A 1 -5.710 5.729 -13.988 1.00 0.05 H HETATM 1627 H36 PRO A 1 -7.097 4.921 -13.182 1.00 0.05 H HETATM 1628 H34 PRO A 1 -4.354 5.524 -11.942 1.00 0.08 H HETATM 1629 H33 PRO A 1 -6.667 4.230 -10.546 1.00 0.19 H HETATM 1630 CB PRO A 1 -5.557 3.090 -7.920 1.00 -0.01 C HETATM 1631 CG PRO A 1 -5.003 2.101 -6.940 1.00 -0.03 C HETATM 1632 CD PRO A 1 -3.804 1.484 -7.621 1.00 0.04 C HETATM 1633 H31 PRO A 1 -2.912 2.118 -7.509 1.00 0.05 H HETATM 1634 H32 PRO A 1 -3.593 0.480 -7.224 1.00 0.05 H HETATM 1635 H29 PRO A 1 -5.752 1.330 -6.708 1.00 0.03 H HETATM 1636 H30 PRO A 1 -4.699 2.608 -6.013 1.00 0.03 H HETATM 1637 H27 PRO A 1 -6.640 3.215 -7.772 1.00 0.03 H HETATM 1638 H28 PRO A 1 -5.057 4.064 -7.811 1.00 0.03 H HETATM 1639 H26 PRO A 1 -6.173 2.021 -9.738 1.00 0.08 H HETATM 1640 H24 PRO A 1 -1.779 -0.184 -9.741 1.00 0.08 H HETATM 1641 H25 PRO A 1 -2.909 -0.753 -8.465 1.00 0.08 H HETATM 1642 H23 PRO A 1 -3.712 -1.872 -10.944 1.00 0.19 H HETATM 1643 CB PRO A 1 -2.207 -5.469 -10.242 1.00 -0.01 C HETATM 1644 CG PRO A 1 -0.839 -5.841 -10.742 1.00 -0.03 C HETATM 1645 CD PRO A 1 -0.773 -5.327 -12.166 1.00 0.04 C HETATM 1646 H21 PRO A 1 0.252 -5.024 -12.428 1.00 0.05 H HETATM 1647 H22 PRO A 1 -1.122 -6.091 -12.876 1.00 0.05 H HETATM 1648 H19 PRO A 1 -0.706 -6.933 -10.721 1.00 0.03 H HETATM 1649 H20 PRO A 1 -0.062 -5.365 -10.126 1.00 0.03 H HETATM 1650 H17 PRO A 1 -2.943 -6.239 -10.518 1.00 0.03 H HETATM 1651 H18 PRO A 1 -2.199 -5.344 -9.149 1.00 0.03 H HETATM 1652 H16 PRO A 1 -3.599 -4.090 -11.216 1.00 0.08 H HETATM 1653 CB PRO A 1 0.583 -2.525 -13.784 1.00 -0.00 C HETATM 1654 CG PRO A 1 0.468 -1.188 -13.014 1.00 0.00 C HETATM 1655 CD PRO A 1 -0.041 -0.012 -13.872 1.00 0.04 C HETATM 1656 OE1 PRO A 1 -1.254 0.177 -13.977 1.00 -0.57 O HETATM 1657 OE2 PRO A 1 0.776 0.736 -14.432 1.00 -0.57 O HETATM 1658 H14 PRO A 1 1.463 -0.927 -12.624 1.00 0.04 H HETATM 1659 H15 PRO A 1 -0.229 -1.331 -12.175 1.00 0.04 H HETATM 1660 H12 PRO A 1 1.216 -2.351 -14.666 1.00 0.03 H HETATM 1661 H13 PRO A 1 1.071 -3.254 -13.120 1.00 0.03 H HETATM 1662 H11 PRO A 1 -0.567 -4.180 -14.631 1.00 0.08 H HETATM 1663 H10 PRO A 1 -2.121 -1.786 -15.191 1.00 0.19 H HETATM 1664 CB PRO A 1 -0.611 -0.926 -18.753 1.00 0.01 C HETATM 1665 CG PRO A 1 -0.957 0.526 -18.893 1.00 -0.01 C HETATM 1666 CD PRO A 1 -1.371 0.977 -17.497 1.00 -0.03 C HETATM 1667 H8 PRO A 1 -0.488 1.259 -16.905 1.00 0.08 H HETATM 1668 H9 PRO A 1 -2.061 1.832 -17.557 1.00 0.08 H HETATM 1669 H6 PRO A 1 -1.787 0.658 -19.602 1.00 0.03 H HETATM 1670 H7 PRO A 1 -0.084 1.099 -19.240 1.00 0.03 H HETATM 1671 H4 PRO A 1 -0.808 -1.471 -19.688 1.00 0.03 H HETATM 1672 H5 PRO A 1 0.444 -1.055 -18.469 1.00 0.03 H HETATM 1673 H3 PRO A 1 -2.412 -1.926 -18.072 1.00 0.11 H HETATM 1674 H1 PRO A 1 -1.818 -0.263 -15.915 1.00 0.20 H HETATM 1675 H2 PRO A 1 -3.047 -0.111 -17.000 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1547 1548 1666 1674 1675 CONECT 1548 1547 1549 1664 1673 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 1663 CONECT 1552 1551 1553 1653 1662 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1645 CONECT 1556 1555 1557 1643 1652 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1642 CONECT 1560 1559 1561 1640 1641 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 1564 1632 CONECT 1564 1563 1565 1630 1639 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 1568 1629 CONECT 1568 1567 1569 1613 1628 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1612 CONECT 1572 1571 1573 1607 1611 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 1576 1606 CONECT 1576 1575 1577 1594 1605 CONECT 1577 1576 1578 1579 CONECT 1578 1577 CONECT 1579 1577 1580 1586 CONECT 1580 1579 1581 1584 1593 CONECT 1581 1580 1582 1583 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1580 1585 1591 1592 CONECT 1585 1584 1586 1589 1590 CONECT 1586 1579 1585 1587 1588 CONECT 1587 1586 CONECT 1588 1586 CONECT 1589 1585 CONECT 1590 1585 CONECT 1591 1584 CONECT 1592 1584 CONECT 1593 1580 CONECT 1594 1576 1595 1603 1604 CONECT 1595 1594 1596 1601 1602 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 1599 1600 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1595 CONECT 1602 1595 CONECT 1603 1594 CONECT 1604 1594 CONECT 1605 1576 CONECT 1606 1575 CONECT 1607 1572 1608 1609 1610 CONECT 1608 1607 CONECT 1609 1607 CONECT 1610 1607 CONECT 1611 1572 CONECT 1612 1571 CONECT 1613 1568 1614 1626 1627 CONECT 1614 1613 1615 1619 CONECT 1615 1614 1616 1625 CONECT 1616 1615 1617 1624 CONECT 1617 1616 1618 1622 CONECT 1618 1617 1619 1621 CONECT 1619 1614 1618 1620 CONECT 1620 1619 CONECT 1621 1618 CONECT 1622 1617 1623 CONECT 1623 1622 CONECT 1624 1616 CONECT 1625 1615 CONECT 1626 1613 CONECT 1627 1613 CONECT 1628 1568 CONECT 1629 1567 CONECT 1630 1564 1631 1637 1638 CONECT 1631 1630 1632 1635 1636 CONECT 1632 1563 1631 1633 1634 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1631 CONECT 1636 1631 CONECT 1637 1630 CONECT 1638 1630 CONECT 1639 1564 CONECT 1640 1560 CONECT 1641 1560 CONECT 1642 1559 CONECT 1643 1556 1644 1650 1651 CONECT 1644 1643 1645 1648 1649 CONECT 1645 1555 1644 1646 1647 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1644 CONECT 1649 1644 CONECT 1650 1643 CONECT 1651 1643 CONECT 1652 1556 CONECT 1653 1552 1654 1660 1661 CONECT 1654 1653 1655 1658 1659 CONECT 1655 1654 1656 1657 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1654 CONECT 1659 1654 CONECT 1660 1653 CONECT 1661 1653 CONECT 1662 1552 CONECT 1663 1551 CONECT 1664 1548 1665 1671 1672 CONECT 1665 1664 1666 1669 1670 CONECT 1666 1547 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1665 CONECT 1670 1665 CONECT 1671 1664 CONECT 1672 1664 CONECT 1673 1548 CONECT 1674 1547 CONECT 1675 1547 MASTER 0 0 0 0 0 0 0 0 1674 1 133 13 END
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Structure:
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Related entries of code: 2ms4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ak4
RCSB PDB
PDBbind
165aa, >1AK4_1|Chains... at 100%
1nmk
RCSB PDB
PDBbind
165aa, >1NMK_1|Chains... at 100%
1w8l
RCSB PDB
PDBbind
165aa, >1W8L_1|Chain... at 100%
1w8m
RCSB PDB
PDBbind
165aa, >1W8M_1|Chain... at 100%
1ynd
RCSB PDB
PDBbind
165aa, >1YND_1|Chains... at 100%
2x2d
RCSB PDB
PDBbind
165aa, >2X2D_1|Chains... at 100%
4dgb
RCSB PDB
PDBbind
165aa, >4DGB_1|Chain... at 98%
4dge
RCSB PDB
PDBbind
165aa, >4DGE_1|Chains... at 98%
5lud
RCSB PDB
PDBbind
165aa, >5LUD_1|Chain... at 100%
5t9u
RCSB PDB
PDBbind
164aa, >5T9U_1|Chains... at 100%
5t9w
RCSB PDB
PDBbind
164aa, >5T9W_1|Chain... at 100%
5t9z
RCSB PDB
PDBbind
163aa, >5T9Z_1|Chain... at 100%
5ta2
RCSB PDB
PDBbind
163aa, >5TA2_1|Chain... at 100%
5ta4
RCSB PDB
PDBbind
164aa, >5TA4_1|Chain... at 100%
6gji
RCSB PDB
PDBbind
165aa, >6GJI_1|Chain... at 100%
6gjj
RCSB PDB
PDBbind
165aa, >6GJJ_1|Chain... at 100%
6gjl
RCSB PDB
PDBbind
165aa, >6GJL_1|Chain... at 100%
6gjm
RCSB PDB
PDBbind
165aa, >6GJM_1|Chain... at 100%
6gjn
RCSB PDB
PDBbind
165aa, >6GJN_1|Chain... at 100%
6gjr
RCSB PDB
PDBbind
165aa, >6GJR_1|Chain... at 100%
6gjy
RCSB PDB
PDBbind
165aa, >6GJY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
2ms4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cyclophilin A (CypA)
Ligand Name
9-mer
EC.Number
E.C.5.2.1.8
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=15uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat.Chem.Biol. Vol. 12: pp. 117-124
Ligand Properties
Formula
C
4
4
H
6
3
N
1
0
O
1
4
Molecular Weight
956.030
Exact Mass
955.453
No. of atoms
131
No. of bonds
135
Polar Surface Area
360.96
LOGP Value
-1.99 (
Computed with XLOGP3
)
-0.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 5
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]1[NH2+]CCC1)CCC(=O)O)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C44H62N10O14/c1-24(37(60)49-28(14-16-34(45)56)43(66)54-21-5-9-33(54)44(67)68)48-39(62)30(22-25-10-12-26(55)13-11-25)51-41(64)32-8-3-19-52(32)35(57)23-47-40(63)31-7-4-20-53(31)42(65)29(15-17-36(58)59)50-38(61)27-6-2-18-46-27/h10-13,24,27-33,46,55H,2-9,14-23H2,1H3,(H2,45,56)(H,47,63)(H,48,62)(H,49,60)(H,50,61)(H,51,64)(H,58,59)(H,67,68)/p+1/t24-,27-,28-,29-,30-,31-,32-,33-/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):
P46108
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
1398
5478
ASD
Information of known allosteric effects of PDB entries
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