Browse entries in the PDBbind-CN Database
HEADER 4W52_COMPLEX COMPND 4W52_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA ALA ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET BNZ A 302 12 ATOM 1 N MET A 1 -17.015 -3.198 8.833 1.00 27.99 N ATOM 2 CA MET A 1 -17.680 -1.915 8.990 1.00 17.09 C ATOM 3 C MET A 1 -19.093 -2.031 9.528 1.00 14.58 C ATOM 4 O MET A 1 -19.828 -2.998 9.287 1.00 15.59 O ATOM 5 CB MET A 1 -17.704 -1.151 7.670 1.00 20.59 C ATOM 6 CG MET A 1 -18.342 0.205 7.812 1.00 18.49 C ATOM 7 SD MET A 1 -17.069 1.411 8.088 1.00 21.19 S ATOM 8 CE MET A 1 -16.073 0.894 6.671 1.00 17.18 C ATOM 9 HN3 MET A 1 -17.555 -3.788 8.169 1.00 0.00 H ATOM 10 HN2 MET A 1 -16.960 -3.674 9.756 1.00 0.00 H ATOM 11 HN1 MET A 1 -16.055 -3.047 8.462 1.00 0.00 H ATOM 12 N ASN A 2 -19.472 -1.019 10.291 1.00 12.17 N ATOM 13 CA ASN A 2 -20.807 -0.908 10.848 1.00 12.36 C ATOM 14 C ASN A 2 -21.123 0.587 10.889 1.00 10.36 C ATOM 15 O ASN A 2 -20.253 1.423 10.552 1.00 10.27 O ATOM 16 CB ASN A 2 -20.846 -1.562 12.256 1.00 11.18 C ATOM 17 CG ASN A 2 -19.863 -0.956 13.217 1.00 13.02 C ATOM 18 OD1 ASN A 2 -19.896 0.251 13.476 1.00 10.88 O ATOM 19 ND2 ASN A 2 -18.981 -1.769 13.761 1.00 13.43 N ATOM 20 HD22 ASN A 2 -18.986 -2.780 13.517 1.00 0.00 H ATOM 21 HD21 ASN A 2 -18.280 -1.400 14.435 1.00 0.00 H ATOM 22 H ASN A 2 -18.782 -0.270 10.501 1.00 0.00 H ATOM 23 N ILE A 3 -22.334 0.915 11.321 1.00 9.79 N ATOM 24 CA ILE A 3 -22.779 2.297 11.273 1.00 9.72 C ATOM 25 C ILE A 3 -21.923 3.224 12.141 1.00 9.92 C ATOM 26 O ILE A 3 -21.722 4.406 11.803 1.00 9.48 O ATOM 27 CB ILE A 3 -24.264 2.406 11.637 1.00 10.19 C ATOM 28 CG1 ILE A 3 -24.778 3.836 11.513 1.00 10.40 C ATOM 29 CG2 ILE A 3 -24.505 1.862 13.073 1.00 10.46 C ATOM 30 CD1 ILE A 3 -24.643 4.476 10.102 1.00 10.46 C ATOM 31 H ILE A 3 -22.967 0.180 11.695 1.00 0.00 H ATOM 32 N PHE A 4 -21.419 2.730 13.267 1.00 8.01 N ATOM 33 CA PHE A 4 -20.573 3.567 14.119 1.00 8.80 C ATOM 34 C PHE A 4 -19.253 3.883 13.440 1.00 9.06 C ATOM 35 O PHE A 4 -18.781 5.031 13.449 1.00 10.59 O ATOM 36 CB PHE A 4 -20.387 2.892 15.487 1.00 9.48 C ATOM 37 CG PHE A 4 -21.630 2.860 16.287 1.00 8.62 C ATOM 38 CD1 PHE A 4 -21.962 3.964 17.069 1.00 12.97 C ATOM 39 CD2 PHE A 4 -22.495 1.789 16.249 1.00 11.34 C ATOM 40 CE1 PHE A 4 -23.136 3.976 17.803 1.00 13.94 C ATOM 41 CE2 PHE A 4 -23.672 1.814 16.969 1.00 13.03 C ATOM 42 CZ PHE A 4 -23.982 2.890 17.743 1.00 13.10 C ATOM 43 H PHE A 4 -21.626 1.749 13.543 1.00 0.00 H ATOM 44 N GLU A 5 -18.619 2.885 12.839 1.00 9.78 N ATOM 45 CA GLU A 5 -17.359 3.142 12.149 1.00 9.80 C ATOM 46 C GLU A 5 -17.560 4.079 10.946 1.00 8.93 C ATOM 47 O GLU A 5 -16.720 4.952 10.677 1.00 10.10 O ATOM 48 CB GLU A 5 -16.709 1.824 11.683 1.00 10.24 C ATOM 49 CG GLU A 5 -16.277 0.931 12.832 1.00 10.71 C ATOM 50 CD GLU A 5 -15.685 -0.413 12.409 1.00 21.11 C ATOM 51 OE1 GLU A 5 -15.784 -0.783 11.236 1.00 28.40 O ATOM 52 OE2 GLU A 5 -15.095 -1.103 13.270 1.00 19.20 O ATOM 53 H GLU A 5 -19.018 1.925 12.859 1.00 0.00 H ATOM 54 N MET A 6 -18.675 3.884 10.250 1.00 8.36 N ATOM 55 CA MET A 6 -18.974 4.669 9.049 1.00 7.77 C ATOM 56 C MET A 6 -19.141 6.144 9.437 1.00 9.23 C ATOM 57 O MET A 6 -18.511 7.031 8.837 1.00 8.68 O ATOM 58 CB MET A 6 -20.263 4.145 8.455 1.00 8.61 C ATOM 59 CG MET A 6 -20.649 4.845 7.169 1.00 9.35 C ATOM 60 SD MET A 6 -22.394 4.467 6.821 1.00 9.24 S ATOM 61 CE MET A 6 -22.476 4.660 5.045 1.00 10.85 C ATOM 62 H MET A 6 -19.350 3.158 10.564 1.00 0.00 H ATOM 63 N LEU A 7 -19.979 6.424 10.441 1.00 9.13 N ATOM 64 CA LEU A 7 -20.190 7.813 10.842 1.00 7.79 C ATOM 65 C LEU A 7 -18.962 8.407 11.540 1.00 9.60 C ATOM 66 O LEU A 7 -18.731 9.607 11.433 1.00 10.11 O ATOM 67 CB LEU A 7 -21.440 7.932 11.709 1.00 9.03 C ATOM 68 CG LEU A 7 -22.746 7.958 10.909 1.00 7.11 C ATOM 69 CD1 LEU A 7 -23.923 7.721 11.871 1.00 9.99 C ATOM 70 CD2 LEU A 7 -22.873 9.319 10.227 1.00 9.66 C ATOM 71 H LEU A 7 -20.478 5.656 10.934 1.00 0.00 H ATOM 72 N ARG A 8 -18.178 7.592 12.238 1.00 10.22 N ATOM 73 CA ARG A 8 -16.926 8.100 12.827 1.00 10.78 C ATOM 74 C ARG A 8 -15.984 8.605 11.728 1.00 10.43 C ATOM 75 O ARG A 8 -15.300 9.633 11.890 1.00 11.98 O ATOM 76 CB ARG A 8 -16.248 7.019 13.688 1.00 12.26 C ATOM 77 CG ARG A 8 -14.867 7.377 14.206 1.00 15.20 C ATOM 78 CD ARG A 8 -14.880 8.576 15.141 1.00 17.31 C ATOM 79 NE ARG A 8 -13.517 8.787 15.647 1.00 20.40 N ATOM 80 CZ ARG A 8 -12.559 9.396 14.951 1.00 25.62 C ATOM 81 NH1 ARG A 8 -12.810 9.891 13.749 1.00 23.98 N ATOM 82 NH2 ARG A 8 -11.336 9.528 15.467 1.00 28.70 N ATOM 83 HE ARG A 8 -13.288 8.442 16.601 1.00 0.00 H ATOM 84 HH12 ARG A 8 -12.055 10.365 13.214 1.00 0.00 H ATOM 85 HH11 ARG A 8 -13.762 9.806 13.340 1.00 0.00 H ATOM 86 HH22 ARG A 8 -10.590 10.004 14.921 1.00 0.00 H ATOM 87 HH21 ARG A 8 -11.129 9.155 16.415 1.00 0.00 H ATOM 88 H ARG A 8 -18.448 6.596 12.369 1.00 0.00 H ATOM 89 N ILE A 9 -15.931 7.904 10.595 1.00 9.64 N ATOM 90 CA ILE A 9 -15.138 8.377 9.459 1.00 10.22 C ATOM 91 C ILE A 9 -15.739 9.668 8.896 1.00 11.04 C ATOM 92 O ILE A 9 -15.025 10.658 8.621 1.00 13.43 O ATOM 93 CB ILE A 9 -15.098 7.270 8.361 1.00 11.18 C ATOM 94 CG1 ILE A 9 -14.203 6.129 8.841 1.00 13.80 C ATOM 95 CG2 ILE A 9 -14.626 7.824 6.995 1.00 13.42 C ATOM 96 CD1 ILE A 9 -14.366 4.863 8.037 1.00 13.78 C ATOM 97 H ILE A 9 -16.459 7.011 10.517 1.00 0.00 H ATOM 98 N ASP A 10 -17.052 9.683 8.697 1.00 9.66 N ATOM 99 CA ASP A 10 -17.646 10.856 8.069 1.00 10.85 C ATOM 100 C ASP A 10 -17.662 12.115 8.958 1.00 10.54 C ATOM 101 O ASP A 10 -17.612 13.240 8.451 1.00 13.50 O ATOM 102 CB ASP A 10 -19.071 10.550 7.612 1.00 10.56 C ATOM 103 CG ASP A 10 -19.115 9.654 6.394 1.00 11.96 C ATOM 104 OD1 ASP A 10 -18.145 9.642 5.617 1.00 11.35 O ATOM 105 OD2 ASP A 10 -20.122 8.959 6.185 1.00 11.17 O ATOM 106 H ASP A 10 -17.643 8.876 8.983 1.00 0.00 H ATOM 107 N GLU A 11 -17.773 11.933 10.272 1.00 9.78 N ATOM 108 CA GLU A 11 -17.902 13.081 11.186 1.00 9.81 C ATOM 109 C GLU A 11 -16.634 13.442 11.932 1.00 11.06 C ATOM 110 O GLU A 11 -16.542 14.568 12.429 1.00 12.68 O ATOM 111 CB GLU A 11 -19.011 12.796 12.220 1.00 11.22 C ATOM 112 CG GLU A 11 -20.409 12.551 11.628 1.00 10.81 C ATOM 113 CD GLU A 11 -21.061 13.785 11.014 1.00 14.70 C ATOM 114 OE1 GLU A 11 -20.529 14.922 11.173 1.00 17.91 O ATOM 115 OE2 GLU A 11 -22.137 13.634 10.384 1.00 18.44 O ATOM 116 H GLU A 11 -17.769 10.967 10.658 1.00 0.00 H ATOM 117 N GLY A 12 -15.687 12.522 12.052 1.00 11.55 N ATOM 118 CA GLY A 12 -14.493 12.772 12.844 1.00 12.07 C ATOM 119 C GLY A 12 -14.788 12.766 14.332 1.00 13.53 C ATOM 120 O GLY A 12 -15.887 12.402 14.792 1.00 12.70 O ATOM 121 H GLY A 12 -15.800 11.606 11.572 1.00 0.00 H ATOM 122 N LEU A 13 -13.783 13.162 15.098 1.00 12.54 N ATOM 123 CA LEU A 13 -13.927 13.238 16.546 1.00 14.24 C ATOM 124 C LEU A 13 -13.180 14.494 16.983 1.00 14.73 C ATOM 125 O LEU A 13 -11.964 14.609 16.770 1.00 17.02 O ATOM 126 CB LEU A 13 -13.369 11.998 17.248 1.00 14.18 C ATOM 127 CG LEU A 13 -13.198 12.171 18.768 1.00 17.49 C ATOM 128 CD1 LEU A 13 -14.555 12.255 19.463 1.00 16.94 C ATOM 129 CD2 LEU A 13 -12.387 11.004 19.326 1.00 23.36 C ATOM 130 H LEU A 13 -12.877 13.423 14.659 1.00 0.00 H ATOM 131 N ARG A 14 -13.920 15.420 17.592 1.00 12.91 N ATOM 132 CA ARG A 14 -13.339 16.633 18.150 1.00 12.70 C ATOM 133 C ARG A 14 -13.912 16.834 19.550 1.00 14.75 C ATOM 134 O ARG A 14 -15.120 16.752 19.756 1.00 13.43 O ATOM 135 CB ARG A 14 -13.590 17.853 17.237 1.00 13.75 C ATOM 136 CG ARG A 14 -12.974 17.704 15.811 1.00 14.54 C ATOM 137 CD ARG A 14 -13.144 18.957 14.892 1.00 16.91 C ATOM 138 NE ARG A 14 -12.424 20.109 15.429 1.00 24.59 N ATOM 139 CZ ARG A 14 -12.313 21.309 14.854 1.00 25.15 C ATOM 140 NH1 ARG A 14 -12.870 21.585 13.672 1.00 17.63 N ATOM 141 NH2 ARG A 14 -11.628 22.254 15.493 1.00 24.59 N ATOM 142 HE ARG A 14 -11.953 19.982 16.347 1.00 0.00 H ATOM 143 HH12 ARG A 14 -12.762 22.532 13.255 1.00 0.00 H ATOM 144 HH11 ARG A 14 -13.411 20.853 13.169 1.00 0.00 H ATOM 145 HH22 ARG A 14 -11.525 23.198 15.069 1.00 0.00 H ATOM 146 HH21 ARG A 14 -11.196 22.048 16.416 1.00 0.00 H ATOM 147 H ARG A 14 -14.946 15.271 17.671 1.00 0.00 H ATOM 148 N LEU A 15 -13.034 17.078 20.530 1.00 11.88 N ATOM 149 CA LEU A 15 -13.463 17.142 21.929 1.00 11.96 C ATOM 150 C LEU A 15 -13.766 18.545 22.438 1.00 14.67 C ATOM 151 O LEU A 15 -14.239 18.720 23.566 1.00 15.59 O ATOM 152 CB LEU A 15 -12.412 16.455 22.820 1.00 14.15 C ATOM 153 CG LEU A 15 -12.182 14.973 22.536 1.00 13.59 C ATOM 154 CD1 LEU A 15 -11.169 14.432 23.550 1.00 21.94 C ATOM 155 CD2 LEU A 15 -13.492 14.165 22.581 1.00 16.25 C ATOM 156 H LEU A 15 -12.032 17.224 20.295 1.00 0.00 H ATOM 157 N LYS A 16 -13.551 19.544 21.588 1.00 11.67 N ATOM 158 CA LYS A 16 -13.860 20.930 21.894 1.00 13.98 C ATOM 159 C LYS A 16 -14.911 21.405 20.910 1.00 11.72 C ATOM 160 O LYS A 16 -14.934 20.924 19.758 1.00 12.40 O ATOM 161 CB LYS A 16 -12.579 21.783 21.780 1.00 16.47 C ATOM 162 CG LYS A 16 -11.441 21.247 22.635 1.00 29.04 C ATOM 163 CD LYS A 16 -10.267 22.217 22.714 1.00 27.10 C ATOM 164 CE LYS A 16 -9.306 21.784 23.812 1.00 29.58 C ATOM 165 H LYS A 16 -13.141 19.322 20.658 1.00 0.00 H ATOM 166 N ILE A 17 -15.774 22.328 21.320 1.00 10.97 N ATOM 167 CA ILE A 17 -16.798 22.860 20.435 1.00 9.56 C ATOM 168 C ILE A 17 -16.167 23.350 19.141 1.00 12.67 C ATOM 169 O ILE A 17 -15.148 24.071 19.175 1.00 14.61 O ATOM 170 CB ILE A 17 -17.566 23.991 21.102 1.00 11.28 C ATOM 171 CG1 ILE A 17 -18.408 23.433 22.262 1.00 10.85 C ATOM 172 CG2 ILE A 17 -18.444 24.714 20.105 1.00 14.22 C ATOM 173 CD1 ILE A 17 -19.176 24.522 23.064 1.00 13.58 C ATOM 174 H ILE A 17 -15.716 22.679 22.297 1.00 0.00 H ATOM 175 N TYR A 18 -16.772 22.955 18.012 1.00 11.53 N ATOM 176 CA TYR A 18 -16.308 23.372 16.696 1.00 11.67 C ATOM 177 C TYR A 18 -17.519 23.759 15.873 1.00 12.20 C ATOM 178 O TYR A 18 -18.644 23.534 16.272 1.00 12.52 O ATOM 179 CB TYR A 18 -15.532 22.227 16.018 1.00 12.54 C ATOM 180 CG TYR A 18 -16.299 20.947 15.712 1.00 12.91 C ATOM 181 CD1 TYR A 18 -16.427 19.953 16.658 1.00 13.54 C ATOM 182 CD2 TYR A 18 -16.829 20.712 14.424 1.00 15.43 C ATOM 183 CE1 TYR A 18 -17.081 18.751 16.373 1.00 12.56 C ATOM 184 CE2 TYR A 18 -17.498 19.511 14.124 1.00 12.40 C ATOM 185 CZ TYR A 18 -17.638 18.551 15.115 1.00 14.18 C ATOM 186 OH TYR A 18 -18.279 17.339 14.852 1.00 14.50 O ATOM 187 HH TYR A 18 -17.796 16.861 14.132 1.00 0.00 H ATOM 188 H TYR A 18 -17.600 22.330 18.078 1.00 0.00 H ATOM 189 N LYS A 19 -17.288 24.332 14.701 1.00 12.80 N ATOM 190 CA LYS A 19 -18.373 24.558 13.769 1.00 12.57 C ATOM 191 C LYS A 19 -18.376 23.499 12.704 1.00 12.83 C ATOM 192 O LYS A 19 -17.307 23.145 12.162 1.00 15.03 O ATOM 193 CB LYS A 19 -18.251 25.937 13.132 1.00 12.07 C ATOM 194 CG LYS A 19 -18.595 27.064 14.068 1.00 13.97 C ATOM 195 CD LYS A 19 -18.401 28.406 13.380 1.00 17.78 C ATOM 196 CE LYS A 19 -18.820 29.560 14.287 1.00 19.56 C ATOM 197 NZ LYS A 19 -18.713 30.832 13.518 1.00 23.39 N ATOM 198 HZ1 LYS A 19 -17.730 30.965 13.206 1.00 0.00 H ATOM 199 HZ2 LYS A 19 -19.339 30.788 12.688 1.00 0.00 H ATOM 200 HZ3 LYS A 19 -18.996 31.628 14.125 1.00 0.00 H ATOM 201 H LYS A 19 -16.321 24.621 14.449 1.00 0.00 H ATOM 202 N ASP A 20 -19.568 22.991 12.415 1.00 11.92 N ATOM 203 CA ASP A 20 -19.753 21.985 11.387 1.00 10.71 C ATOM 204 C ASP A 20 -19.673 22.593 9.982 1.00 10.75 C ATOM 205 O ASP A 20 -19.358 23.784 9.818 1.00 13.29 O ATOM 206 CB ASP A 20 -21.053 21.179 11.612 1.00 16.00 C ATOM 207 CG ASP A 20 -22.334 21.963 11.295 1.00 16.07 C ATOM 208 OD1 ASP A 20 -22.284 23.097 10.782 1.00 14.31 O ATOM 209 OD2 ASP A 20 -23.451 21.445 11.570 1.00 19.24 O ATOM 210 H ASP A 20 -20.398 23.326 12.944 1.00 0.00 H ATOM 211 N THR A 21 -19.974 21.789 8.977 1.00 12.09 N ATOM 212 CA THR A 21 -19.810 22.254 7.591 1.00 12.06 C ATOM 213 C THR A 21 -20.762 23.404 7.263 1.00 13.25 C ATOM 214 O THR A 21 -20.518 24.165 6.308 1.00 14.08 O ATOM 215 CB THR A 21 -20.032 21.102 6.563 1.00 13.37 C ATOM 216 OG1 THR A 21 -21.407 20.708 6.550 1.00 16.81 O ATOM 217 CG2 THR A 21 -19.146 19.895 6.883 1.00 13.85 C ATOM 218 HG1 THR A 21 -21.969 21.482 6.295 1.00 0.00 H ATOM 219 H THR A 21 -20.326 20.829 9.166 1.00 0.00 H ATOM 220 N GLU A 22 -21.859 23.539 8.024 1.00 11.76 N ATOM 221 CA GLU A 22 -22.812 24.618 7.814 1.00 11.13 C ATOM 222 C GLU A 22 -22.572 25.841 8.708 1.00 12.08 C ATOM 223 O GLU A 22 -23.344 26.809 8.695 1.00 14.78 O ATOM 224 CB GLU A 22 -24.244 24.120 8.058 1.00 13.47 C ATOM 225 CG GLU A 22 -24.652 22.971 7.156 1.00 17.05 C ATOM 226 CD GLU A 22 -24.939 23.390 5.738 1.00 25.96 C ATOM 227 OE1 GLU A 22 -25.071 24.603 5.461 1.00 25.34 O ATOM 228 OE2 GLU A 22 -25.036 22.475 4.890 1.00 28.62 O ATOM 229 H GLU A 22 -22.033 22.853 8.786 1.00 0.00 H ATOM 230 N GLY A 23 -21.505 25.786 9.494 1.00 11.31 N ATOM 231 CA GLY A 23 -21.204 26.842 10.446 1.00 11.54 C ATOM 232 C GLY A 23 -21.883 26.755 11.806 1.00 12.68 C ATOM 233 O GLY A 23 -21.872 27.745 12.550 1.00 16.15 O ATOM 234 H GLY A 23 -20.868 24.967 9.427 1.00 0.00 H ATOM 235 N TYR A 24 -22.435 25.584 12.149 1.00 11.51 N ATOM 236 CA TYR A 24 -23.173 25.458 13.411 1.00 12.47 C ATOM 237 C TYR A 24 -22.324 24.809 14.481 1.00 10.46 C ATOM 238 O TYR A 24 -21.593 23.864 14.225 1.00 11.26 O ATOM 239 CB TYR A 24 -24.405 24.587 13.227 1.00 12.94 C ATOM 240 CG TYR A 24 -25.406 25.135 12.247 1.00 15.81 C ATOM 241 CD1 TYR A 24 -25.753 26.479 12.260 1.00 18.76 C ATOM 242 CD2 TYR A 24 -26.006 24.304 11.314 1.00 19.75 C ATOM 243 CE1 TYR A 24 -26.694 26.988 11.349 1.00 25.25 C ATOM 244 CE2 TYR A 24 -26.936 24.801 10.408 1.00 19.74 C ATOM 245 CZ TYR A 24 -27.272 26.136 10.429 1.00 29.41 C ATOM 246 OH TYR A 24 -28.208 26.621 9.522 1.00 30.60 O ATOM 247 HH TYR A 24 -28.336 27.592 9.669 1.00 0.00 H ATOM 248 H TYR A 24 -22.340 24.762 11.519 1.00 0.00 H ATOM 249 N TYR A 25 -22.468 25.289 15.718 1.00 11.10 N ATOM 250 CA TYR A 25 -21.707 24.746 16.837 1.00 9.98 C ATOM 251 C TYR A 25 -22.095 23.293 17.105 1.00 10.34 C ATOM 252 O TYR A 25 -23.279 22.966 17.213 1.00 10.65 O ATOM 253 CB TYR A 25 -21.958 25.582 18.099 1.00 10.44 C ATOM 254 CG TYR A 25 -21.350 26.961 18.008 1.00 11.50 C ATOM 255 CD1 TYR A 25 -19.977 27.110 17.870 1.00 12.51 C ATOM 256 CD2 TYR A 25 -22.159 28.103 18.093 1.00 15.24 C ATOM 257 CE1 TYR A 25 -19.404 28.390 17.799 1.00 15.81 C ATOM 258 CE2 TYR A 25 -21.591 29.381 18.024 1.00 16.74 C ATOM 259 CZ TYR A 25 -20.226 29.493 17.883 1.00 17.83 C ATOM 260 OH TYR A 25 -19.628 30.752 17.792 1.00 24.34 O ATOM 261 HH TYR A 25 -19.988 31.231 17.004 1.00 0.00 H ATOM 262 H TYR A 25 -23.137 26.067 15.887 1.00 0.00 H ATOM 263 N THR A 26 -21.052 22.481 17.238 1.00 8.84 N ATOM 264 CA THR A 26 -21.100 21.034 17.244 1.00 9.88 C ATOM 265 C THR A 26 -20.001 20.556 18.176 1.00 9.34 C ATOM 266 O THR A 26 -19.054 21.293 18.488 1.00 9.74 O ATOM 267 CB THR A 26 -20.850 20.537 15.792 1.00 9.52 C ATOM 268 OG1 THR A 26 -21.864 21.096 14.970 1.00 11.60 O ATOM 269 CG2 THR A 26 -20.945 19.006 15.652 1.00 10.90 C ATOM 270 HG1 THR A 26 -21.814 22.084 15.012 1.00 0.00 H ATOM 271 H THR A 26 -20.118 22.924 17.348 1.00 0.00 H ATOM 272 N ILE A 27 -20.082 19.315 18.639 1.00 9.39 N ATOM 273 CA ILE A 27 -18.986 18.738 19.414 1.00 9.19 C ATOM 274 C ILE A 27 -18.947 17.231 19.188 1.00 9.69 C ATOM 275 O ILE A 27 -19.925 16.655 18.715 1.00 9.92 O ATOM 276 CB ILE A 27 -19.123 19.064 20.925 1.00 11.00 C ATOM 277 CG1 ILE A 27 -17.776 18.881 21.653 1.00 12.33 C ATOM 278 CG2 ILE A 27 -20.257 18.241 21.538 1.00 12.63 C ATOM 279 CD1 ILE A 27 -17.663 19.615 23.001 1.00 14.22 C ATOM 280 H ILE A 27 -20.933 18.748 18.449 1.00 0.00 H ATOM 281 N GLY A 28 -17.827 16.598 19.536 1.00 9.52 N ATOM 282 CA GLY A 28 -17.767 15.144 19.525 1.00 9.45 C ATOM 283 C GLY A 28 -17.745 14.598 18.121 1.00 10.39 C ATOM 284 O GLY A 28 -16.973 15.043 17.284 1.00 12.57 O ATOM 285 H GLY A 28 -16.990 17.147 19.817 1.00 0.00 H ATOM 286 N ILE A 29 -18.592 13.601 17.895 1.00 8.62 N ATOM 287 CA ILE A 29 -18.727 12.939 16.600 1.00 8.80 C ATOM 288 C ILE A 29 -19.977 13.492 15.950 1.00 8.33 C ATOM 289 O ILE A 29 -21.009 12.841 15.830 1.00 9.38 O ATOM 290 CB ILE A 29 -18.753 11.414 16.795 1.00 9.73 C ATOM 291 CG1 ILE A 29 -17.509 10.995 17.592 1.00 10.97 C ATOM 292 CG2 ILE A 29 -18.768 10.717 15.434 1.00 12.56 C ATOM 293 CD1 ILE A 29 -17.525 9.579 18.158 1.00 16.11 C ATOM 294 H ILE A 29 -19.190 13.274 18.681 1.00 0.00 H ATOM 295 N GLY A 30 -19.879 14.742 15.495 1.00 8.94 N ATOM 296 CA GLY A 30 -21.003 15.339 14.798 1.00 9.03 C ATOM 297 C GLY A 30 -22.242 15.617 15.634 1.00 8.29 C ATOM 298 O GLY A 30 -23.342 15.638 15.093 1.00 10.97 O ATOM 299 H GLY A 30 -19.004 15.285 15.639 1.00 0.00 H ATOM 300 N HIS A 31 -22.087 15.858 16.940 1.00 8.51 N ATOM 301 CA HIS A 31 -23.250 16.178 17.748 1.00 8.17 C ATOM 302 C HIS A 31 -23.571 17.667 17.646 1.00 8.85 C ATOM 303 O HIS A 31 -22.855 18.508 18.205 1.00 10.93 O ATOM 304 CB HIS A 31 -23.004 15.826 19.214 1.00 10.23 C ATOM 305 CG HIS A 31 -24.192 16.121 20.070 1.00 10.70 C ATOM 306 ND1 HIS A 31 -25.286 15.287 20.110 1.00 12.37 N ATOM 307 CD2 HIS A 31 -24.504 17.201 20.831 1.00 12.16 C ATOM 308 CE1 HIS A 31 -26.206 15.821 20.902 1.00 13.38 C ATOM 309 NE2 HIS A 31 -25.762 16.986 21.342 1.00 14.08 N ATOM 310 H HIS A 31 -21.142 15.817 17.373 1.00 0.00 H ATOM 311 N LEU A 32 -24.619 17.998 16.928 1.00 9.15 N ATOM 312 CA LEU A 32 -25.038 19.403 16.797 1.00 10.33 C ATOM 313 C LEU A 32 -25.522 19.945 18.116 1.00 11.33 C ATOM 314 O LEU A 32 -26.359 19.323 18.782 1.00 12.15 O ATOM 315 CB LEU A 32 -26.196 19.488 15.801 1.00 11.58 C ATOM 316 CG LEU A 32 -26.891 20.834 15.642 1.00 13.83 C ATOM 317 CD1 LEU A 32 -25.953 21.847 15.019 1.00 11.92 C ATOM 318 CD2 LEU A 32 -28.145 20.641 14.782 1.00 15.85 C ATOM 319 H LEU A 32 -25.162 17.255 16.444 1.00 0.00 H ATOM 320 N LEU A 33 -24.992 21.098 18.527 1.00 9.44 N ATOM 321 CA LEU A 33 -25.421 21.683 19.790 1.00 10.51 C ATOM 322 C LEU A 33 -26.524 22.698 19.573 1.00 12.85 C ATOM 323 O LEU A 33 -27.515 22.728 20.341 1.00 15.57 O ATOM 324 CB LEU A 33 -24.206 22.333 20.462 1.00 11.00 C ATOM 325 CG LEU A 33 -23.195 21.341 21.002 1.00 12.33 C ATOM 326 CD1 LEU A 33 -21.879 22.108 21.374 1.00 12.44 C ATOM 327 CD2 LEU A 33 -23.779 20.626 22.217 1.00 11.22 C ATOM 328 H LEU A 33 -24.274 21.578 17.947 1.00 0.00 H ATOM 329 N THR A 34 -26.369 23.558 18.557 1.00 12.51 N ATOM 330 CA THR A 34 -27.375 24.597 18.305 1.00 13.40 C ATOM 331 C THR A 34 -27.113 25.228 16.964 1.00 15.27 C ATOM 332 O THR A 34 -25.983 25.221 16.459 1.00 16.00 O ATOM 333 CB THR A 34 -27.335 25.709 19.408 1.00 18.63 C ATOM 334 OG1 THR A 34 -28.354 26.678 19.123 1.00 19.74 O ATOM 335 CG2 THR A 34 -25.974 26.392 19.478 1.00 17.12 C ATOM 336 HG1 THR A 34 -28.337 27.386 19.815 1.00 0.00 H ATOM 337 H THR A 34 -25.532 23.489 17.944 1.00 0.00 H ATOM 338 N LYS A 35 -28.157 25.804 16.393 1.00 14.48 N ATOM 339 CA LYS A 35 -27.976 26.589 15.176 1.00 16.17 C ATOM 340 C LYS A 35 -27.834 28.078 15.470 1.00 17.05 C ATOM 341 O LYS A 35 -27.597 28.893 14.554 1.00 22.19 O ATOM 342 CB LYS A 35 -29.101 26.323 14.175 1.00 19.86 C ATOM 343 CG LYS A 35 -29.052 24.917 13.605 1.00 17.90 C ATOM 344 CD LYS A 35 -30.106 24.754 12.536 1.00 24.75 C ATOM 345 CE LYS A 35 -30.142 23.342 12.042 1.00 26.34 C ATOM 346 NZ LYS A 35 -31.145 23.215 10.948 1.00 32.58 N ATOM 347 HZ1 LYS A 35 -32.084 23.478 11.308 1.00 0.00 H ATOM 348 HZ2 LYS A 35 -30.884 23.847 10.165 1.00 0.00 H ATOM 349 HZ3 LYS A 35 -31.165 22.232 10.610 1.00 0.00 H ATOM 350 H LYS A 35 -29.104 25.698 16.810 1.00 0.00 H ATOM 351 N SER A 36 -27.937 28.421 16.737 1.00 20.56 N ATOM 352 CA SER A 36 -27.719 29.793 17.175 1.00 21.88 C ATOM 353 C SER A 36 -26.281 30.231 16.930 1.00 21.60 C ATOM 354 O SER A 36 -25.341 29.470 17.157 1.00 19.10 O ATOM 355 CB SER A 36 -28.008 29.897 18.666 1.00 23.61 C ATOM 356 OG SER A 36 -27.640 31.181 19.152 1.00 23.95 O ATOM 357 HG SER A 36 -27.833 31.234 20.121 1.00 0.00 H ATOM 358 H SER A 36 -28.180 27.695 17.441 1.00 0.00 H ATOM 359 N PRO A 37 -26.089 31.483 16.482 1.00 21.63 N ATOM 360 CA PRO A 37 -24.718 31.997 16.358 1.00 20.80 C ATOM 361 C PRO A 37 -23.999 32.278 17.679 1.00 19.04 C ATOM 362 O PRO A 37 -22.818 32.618 17.686 1.00 27.60 O ATOM 363 CB PRO A 37 -24.901 33.304 15.577 1.00 23.22 C ATOM 364 CG PRO A 37 -26.296 33.714 15.859 1.00 30.86 C ATOM 365 CD PRO A 37 -27.100 32.446 16.022 1.00 25.19 C ATOM 366 N SER A 38 -24.688 32.085 18.801 1.00 18.94 N ATOM 367 CA SER A 38 -24.098 32.380 20.106 1.00 22.60 C ATOM 368 C SER A 38 -23.293 31.206 20.686 1.00 18.49 C ATOM 369 O SER A 38 -23.877 30.145 20.977 1.00 17.17 O ATOM 370 CB SER A 38 -25.212 32.772 21.087 1.00 21.71 C ATOM 371 OG SER A 38 -24.748 32.783 22.430 1.00 27.71 O ATOM 372 HG SER A 38 -24.010 33.437 22.518 1.00 0.00 H ATOM 373 H SER A 38 -25.660 31.719 18.749 1.00 0.00 H ATOM 374 N LEU A 39 -21.984 31.382 20.875 1.00 19.98 N ATOM 375 CA LEU A 39 -21.167 30.367 21.534 1.00 17.19 C ATOM 376 C LEU A 39 -21.692 30.103 22.952 1.00 17.84 C ATOM 377 O LEU A 39 -21.649 28.963 23.449 1.00 17.10 O ATOM 378 CB LEU A 39 -19.678 30.772 21.580 1.00 18.98 C ATOM 379 CG LEU A 39 -18.742 29.790 22.279 1.00 19.40 C ATOM 380 CD1 LEU A 39 -18.761 28.449 21.554 1.00 17.35 C ATOM 381 CD2 LEU A 39 -17.302 30.301 22.387 1.00 28.90 C ATOM 382 H LEU A 39 -21.536 32.261 20.546 1.00 0.00 H ATOM 383 N ASN A 40 -22.186 31.143 23.623 1.00 18.36 N ATOM 384 CA ASN A 40 -22.686 30.913 24.984 1.00 16.83 C ATOM 385 C ASN A 40 -23.905 29.981 24.976 1.00 18.76 C ATOM 386 O ASN A 40 -24.048 29.129 25.858 1.00 18.35 O ATOM 387 CB ASN A 40 -23.037 32.238 25.667 1.00 24.01 C ATOM 388 CG ASN A 40 -21.825 32.931 26.250 1.00 31.56 C ATOM 389 OD1 ASN A 40 -20.761 32.324 26.421 1.00 32.66 O ATOM 390 ND2 ASN A 40 -21.984 34.210 26.582 1.00 40.31 N ATOM 391 HD22 ASN A 40 -22.898 34.680 26.420 1.00 0.00 H ATOM 392 HD21 ASN A 40 -21.195 34.740 27.004 1.00 0.00 H ATOM 393 H ASN A 40 -22.216 32.090 23.195 1.00 0.00 H ATOM 394 N ALA A 41 -24.782 30.155 23.995 1.00 16.20 N ATOM 395 CA ALA A 41 -25.927 29.263 23.814 1.00 16.06 C ATOM 396 C ALA A 41 -25.445 27.836 23.570 1.00 18.46 C ATOM 397 O ALA A 41 -25.981 26.874 24.142 1.00 16.68 O ATOM 398 CB ALA A 41 -26.801 29.725 22.676 1.00 19.38 C ATOM 399 H ALA A 41 -24.651 30.949 23.336 1.00 0.00 H ATOM 400 N ALA A 42 -24.435 27.686 22.725 1.00 13.52 N ATOM 401 CA ALA A 42 -23.895 26.348 22.480 1.00 12.45 C ATOM 402 C ALA A 42 -23.291 25.720 23.740 1.00 14.27 C ATOM 403 O ALA A 42 -23.475 24.535 23.989 1.00 13.32 O ATOM 404 CB ALA A 42 -22.865 26.384 21.347 1.00 12.96 C ATOM 405 H ALA A 42 -24.030 28.512 22.240 1.00 0.00 H ATOM 406 N LYS A 43 -22.574 26.510 24.550 1.00 14.42 N ATOM 407 CA LYS A 43 -22.013 26.008 25.795 1.00 12.24 C ATOM 408 C LYS A 43 -23.104 25.580 26.783 1.00 10.75 C ATOM 409 O LYS A 43 -22.953 24.571 27.481 1.00 12.89 O ATOM 410 CB LYS A 43 -21.110 27.059 26.424 1.00 14.93 C ATOM 411 CG LYS A 43 -19.791 27.148 25.708 1.00 15.21 C ATOM 412 CD LYS A 43 -19.036 28.368 26.217 1.00 21.16 C ATOM 413 CE LYS A 43 -17.604 28.328 25.733 1.00 29.93 C ATOM 414 NZ LYS A 43 -16.802 29.445 26.283 1.00 39.17 N ATOM 415 HZ1 LYS A 43 -17.221 30.350 25.987 1.00 0.00 H ATOM 416 HZ2 LYS A 43 -16.797 29.388 27.321 1.00 0.00 H ATOM 417 HZ3 LYS A 43 -15.827 29.379 25.926 1.00 0.00 H ATOM 418 H LYS A 43 -22.415 27.503 24.283 1.00 0.00 H ATOM 419 N SER A 44 -24.201 26.319 26.785 1.00 12.89 N ATOM 420 CA SER A 44 -25.331 25.960 27.643 1.00 13.20 C ATOM 421 C SER A 44 -25.958 24.636 27.185 1.00 13.67 C ATOM 422 O SER A 44 -26.204 23.743 27.992 1.00 14.23 O ATOM 423 CB SER A 44 -26.391 27.063 27.631 1.00 18.11 C ATOM 424 OG SER A 44 -27.434 26.722 28.524 1.00 21.89 O ATOM 425 HG SER A 44 -27.843 25.866 28.240 1.00 0.00 H ATOM 426 H SER A 44 -24.261 27.159 26.174 1.00 0.00 H ATOM 427 N GLU A 45 -26.142 24.482 25.875 1.00 13.07 N ATOM 428 CA GLU A 45 -26.655 23.206 25.367 1.00 12.61 C ATOM 429 C GLU A 45 -25.701 22.067 25.672 1.00 12.29 C ATOM 430 O GLU A 45 -26.121 20.948 26.022 1.00 12.99 O ATOM 431 CB GLU A 45 -26.894 23.280 23.854 1.00 12.32 C ATOM 432 CG GLU A 45 -28.044 24.209 23.481 1.00 13.16 C ATOM 433 CD GLU A 45 -29.391 23.702 23.992 1.00 21.12 C ATOM 434 OE1 GLU A 45 -29.723 22.522 23.745 1.00 17.82 O ATOM 435 OE2 GLU A 45 -30.116 24.476 24.665 1.00 22.85 O ATOM 436 H GLU A 45 -25.924 25.259 25.219 1.00 0.00 H ATOM 437 N LEU A 46 -24.401 22.327 25.547 1.00 10.45 N ATOM 438 CA LEU A 46 -23.438 21.300 25.895 1.00 10.59 C ATOM 439 C LEU A 46 -23.546 20.835 27.352 1.00 11.59 C ATOM 440 O LEU A 46 -23.547 19.649 27.634 1.00 12.09 O ATOM 441 CB LEU A 46 -22.008 21.784 25.589 1.00 10.54 C ATOM 442 CG LEU A 46 -20.933 20.764 25.971 1.00 12.92 C ATOM 443 CD1 LEU A 46 -21.120 19.446 25.158 1.00 13.31 C ATOM 444 CD2 LEU A 46 -19.520 21.312 25.719 1.00 13.07 C ATOM 445 H LEU A 46 -24.080 23.255 25.204 1.00 0.00 H ATOM 446 N ASP A 47 -23.584 21.784 28.281 1.00 13.38 N ATOM 447 CA ASP A 47 -23.646 21.408 29.681 1.00 11.98 C ATOM 448 C ASP A 47 -24.934 20.626 29.969 1.00 10.65 C ATOM 449 O ASP A 47 -24.888 19.685 30.777 1.00 14.40 O ATOM 450 CB ASP A 47 -23.587 22.673 30.529 1.00 13.96 C ATOM 451 CG ASP A 47 -22.226 23.342 30.485 1.00 20.03 C ATOM 452 OD1 ASP A 47 -21.288 22.769 29.898 1.00 18.42 O ATOM 453 OD2 ASP A 47 -22.091 24.430 31.102 1.00 21.45 O ATOM 454 H ASP A 47 -23.569 22.787 28.007 1.00 0.00 H ATOM 455 N LYS A 48 -26.034 20.995 29.319 1.00 11.85 N ATOM 456 CA LYS A 48 -27.319 20.315 29.508 1.00 12.44 C ATOM 457 C LYS A 48 -27.201 18.871 28.970 1.00 12.54 C ATOM 458 O LYS A 48 -27.693 17.909 29.579 1.00 11.12 O ATOM 459 CB LYS A 48 -28.399 21.095 28.752 1.00 16.14 C ATOM 460 CG LYS A 48 -29.755 20.450 28.694 1.00 17.87 C ATOM 461 CD LYS A 48 -30.874 21.462 28.322 1.00 14.61 C ATOM 462 CE LYS A 48 -30.678 22.133 26.975 1.00 20.11 C ATOM 463 NZ LYS A 48 -31.086 21.252 25.870 1.00 15.63 N ATOM 464 HZ1 LYS A 48 -30.515 20.383 25.892 1.00 0.00 H ATOM 465 HZ2 LYS A 48 -32.092 21.010 25.975 1.00 0.00 H ATOM 466 HZ3 LYS A 48 -30.939 21.742 24.965 1.00 0.00 H ATOM 467 H LYS A 48 -25.981 21.793 28.654 1.00 0.00 H ATOM 468 N ALA A 49 -26.542 18.732 27.823 1.00 12.03 N ATOM 469 CA ALA A 49 -26.404 17.404 27.214 1.00 12.11 C ATOM 470 C ALA A 49 -25.514 16.443 27.997 1.00 12.01 C ATOM 471 O ALA A 49 -25.764 15.242 28.044 1.00 11.71 O ATOM 472 CB ALA A 49 -25.849 17.554 25.780 1.00 11.32 C ATOM 473 H ALA A 49 -26.125 19.564 27.358 1.00 0.00 H ATOM 474 N ILE A 50 -24.456 16.963 28.596 1.00 11.70 N ATOM 475 CA ILE A 50 -23.501 16.133 29.300 1.00 10.37 C ATOM 476 C ILE A 50 -23.842 15.993 30.775 1.00 11.64 C ATOM 477 O ILE A 50 -23.478 15.007 31.404 1.00 15.51 O ATOM 478 CB ILE A 50 -22.082 16.790 29.173 1.00 13.24 C ATOM 479 CG1 ILE A 50 -21.730 16.950 27.688 1.00 13.76 C ATOM 480 CG2 ILE A 50 -21.025 15.982 29.895 1.00 13.14 C ATOM 481 CD1 ILE A 50 -21.599 15.625 26.956 1.00 15.47 C ATOM 482 H ILE A 50 -24.306 17.992 28.561 1.00 0.00 H ATOM 483 N GLY A 51 -24.545 16.974 31.330 1.00 12.97 N ATOM 484 CA GLY A 51 -24.929 16.942 32.740 1.00 13.41 C ATOM 485 C GLY A 51 -23.894 17.525 33.690 1.00 17.37 C ATOM 486 O GLY A 51 -23.895 17.206 34.889 1.00 20.28 O ATOM 487 H GLY A 51 -24.830 17.786 30.746 1.00 0.00 H ATOM 488 N ARG A 52 -22.997 18.364 33.176 1.00 14.28 N ATOM 489 CA ARG A 52 -22.036 19.050 34.049 1.00 16.34 C ATOM 490 C ARG A 52 -21.546 20.286 33.343 1.00 19.09 C ATOM 491 O ARG A 52 -21.824 20.479 32.151 1.00 15.23 O ATOM 492 CB ARG A 52 -20.846 18.168 34.366 1.00 16.47 C ATOM 493 CG ARG A 52 -19.969 17.872 33.124 1.00 15.78 C ATOM 494 CD ARG A 52 -18.812 16.903 33.399 1.00 16.62 C ATOM 495 NE ARG A 52 -18.027 16.604 32.193 1.00 17.24 N ATOM 496 CZ ARG A 52 -17.011 17.346 31.762 1.00 21.42 C ATOM 497 NH1 ARG A 52 -16.631 18.437 32.442 1.00 19.73 N ATOM 498 NH2 ARG A 52 -16.382 17.021 30.640 1.00 18.00 N ATOM 499 HE ARG A 52 -18.282 15.759 31.642 1.00 0.00 H ATOM 500 HH12 ARG A 52 -15.836 19.013 32.099 1.00 0.00 H ATOM 501 HH11 ARG A 52 -17.132 18.708 33.312 1.00 0.00 H ATOM 502 HH22 ARG A 52 -15.587 17.601 30.303 1.00 0.00 H ATOM 503 HH21 ARG A 52 -16.684 16.186 30.098 1.00 0.00 H ATOM 504 H ARG A 52 -22.977 18.534 32.150 1.00 0.00 H ATOM 505 N ASN A 53 -20.816 21.138 34.066 1.00 16.14 N ATOM 506 CA ASN A 53 -20.272 22.337 33.458 1.00 15.86 C ATOM 507 C ASN A 53 -18.986 22.002 32.729 1.00 17.12 C ATOM 508 O ASN A 53 -17.951 21.740 33.347 1.00 19.17 O ATOM 509 CB ASN A 53 -20.006 23.390 34.528 1.00 20.81 C ATOM 510 CG ASN A 53 -21.277 23.914 35.145 1.00 21.99 C ATOM 511 OD1 ASN A 53 -22.325 23.971 34.496 1.00 27.50 O ATOM 512 ND2 ASN A 53 -21.192 24.313 36.407 1.00 28.13 N ATOM 513 HD22 ASN A 53 -20.286 24.246 36.914 1.00 0.00 H ATOM 514 HD21 ASN A 53 -22.031 24.693 36.890 1.00 0.00 H ATOM 515 H ASN A 53 -20.636 20.941 35.071 1.00 0.00 H ATOM 516 N CYS A 54 -19.061 22.004 31.389 1.00 15.81 N ATOM 517 CA CYS A 54 -17.969 21.493 30.564 1.00 16.95 C ATOM 518 C CYS A 54 -17.012 22.558 30.084 1.00 14.09 C ATOM 519 O CYS A 54 -15.914 22.215 29.652 1.00 15.55 O ATOM 520 CB CYS A 54 -18.511 20.789 29.297 1.00 14.68 C ATOM 521 SG CYS A 54 -19.535 19.361 29.678 1.00 16.97 S ATOM 522 H CYS A 54 -19.915 22.377 30.928 1.00 0.00 H ATOM 523 N ASN A 55 -17.489 23.807 30.080 1.00 16.74 N ATOM 524 CA ASN A 55 -16.753 24.924 29.472 1.00 20.42 C ATOM 525 C ASN A 55 -16.237 24.599 28.067 1.00 18.18 C ATOM 526 O ASN A 55 -15.084 24.884 27.709 1.00 19.69 O ATOM 527 CB ASN A 55 -15.574 25.319 30.339 1.00 20.96 C ATOM 528 CG ASN A 55 -15.046 26.712 30.004 1.00 27.93 C ATOM 529 OD1 ASN A 55 -15.779 27.576 29.490 1.00 32.07 O ATOM 530 ND2 ASN A 55 -13.773 26.924 30.274 1.00 28.28 N ATOM 531 HD22 ASN A 55 -13.200 26.170 30.704 1.00 0.00 H ATOM 532 HD21 ASN A 55 -13.342 27.845 30.057 1.00 0.00 H ATOM 533 H ASN A 55 -18.412 23.994 30.522 1.00 0.00 H ATOM 534 N GLY A 56 -17.095 23.961 27.303 1.00 15.08 N ATOM 535 CA GLY A 56 -16.809 23.730 25.892 1.00 13.89 C ATOM 536 C GLY A 56 -15.919 22.560 25.539 1.00 14.20 C ATOM 537 O GLY A 56 -15.534 22.441 24.383 1.00 14.94 O ATOM 538 H GLY A 56 -17.988 23.617 27.709 1.00 0.00 H ATOM 539 N VAL A 57 -15.607 21.684 26.482 1.00 13.13 N ATOM 540 CA VAL A 57 -14.712 20.570 26.252 1.00 15.26 C ATOM 541 C VAL A 57 -15.291 19.325 26.908 1.00 14.66 C ATOM 542 O VAL A 57 -15.808 19.403 28.030 1.00 14.94 O ATOM 543 CB VAL A 57 -13.330 20.841 26.866 1.00 18.67 C ATOM 544 CG1 VAL A 57 -12.347 19.766 26.450 1.00 17.30 C ATOM 545 CG2 VAL A 57 -12.837 22.230 26.473 1.00 18.59 C ATOM 546 H VAL A 57 -16.023 21.802 27.428 1.00 0.00 H ATOM 547 N ILE A 58 -15.196 18.187 26.217 1.00 12.69 N ATOM 548 CA ILE A 58 -15.671 16.916 26.754 1.00 10.27 C ATOM 549 C ILE A 58 -14.619 15.832 26.615 1.00 13.62 C ATOM 550 O ILE A 58 -13.596 16.028 25.938 1.00 15.19 O ATOM 551 CB ILE A 58 -16.980 16.445 26.074 1.00 9.98 C ATOM 552 CG1 ILE A 58 -16.755 16.154 24.572 1.00 12.05 C ATOM 553 CG2 ILE A 58 -18.139 17.440 26.366 1.00 12.16 C ATOM 554 CD1 ILE A 58 -18.046 15.674 23.870 1.00 12.81 C ATOM 555 H ILE A 58 -14.771 18.207 25.268 1.00 0.00 H ATOM 556 N THR A 59 -14.848 14.701 27.286 1.00 12.93 N ATOM 557 CA THR A 59 -13.964 13.563 27.145 1.00 13.17 C ATOM 558 C THR A 59 -14.346 12.679 25.970 1.00 14.36 C ATOM 559 O THR A 59 -15.454 12.785 25.439 1.00 13.70 O ATOM 560 CB THR A 59 -13.988 12.697 28.419 1.00 15.83 C ATOM 561 OG1 THR A 59 -15.293 12.132 28.570 1.00 16.54 O ATOM 562 CG2 THR A 59 -13.660 13.557 29.651 1.00 19.12 C ATOM 563 HG1 THR A 59 -15.317 11.574 29.387 1.00 0.00 H ATOM 564 H THR A 59 -15.672 14.636 27.918 1.00 0.00 H ATOM 565 N LYS A 60 -13.433 11.804 25.560 1.00 12.86 N ATOM 566 CA LYS A 60 -13.743 10.854 24.498 1.00 13.27 C ATOM 567 C LYS A 60 -14.937 9.984 24.916 1.00 12.94 C ATOM 568 O LYS A 60 -15.844 9.752 24.095 1.00 13.60 O ATOM 569 CB LYS A 60 -12.519 10.008 24.135 1.00 18.36 C ATOM 570 CG LYS A 60 -12.741 9.084 22.947 1.00 17.75 C ATOM 571 CD LYS A 60 -11.447 8.385 22.537 1.00 25.78 C ATOM 572 CE LYS A 60 -11.662 7.411 21.388 1.00 34.06 C ATOM 573 H LYS A 60 -12.491 11.797 26.000 1.00 0.00 H ATOM 574 N ASP A 61 -14.993 9.524 26.175 1.00 15.96 N ATOM 575 CA ASP A 61 -16.124 8.706 26.613 1.00 14.48 C ATOM 576 C ASP A 61 -17.443 9.470 26.478 1.00 14.50 C ATOM 577 O ASP A 61 -18.470 8.900 26.075 1.00 13.50 O ATOM 578 CB ASP A 61 -15.953 8.222 28.063 1.00 16.03 C ATOM 579 CG ASP A 61 -14.790 7.261 28.234 1.00 22.87 C ATOM 580 OD1 ASP A 61 -14.221 6.793 27.225 1.00 29.56 O ATOM 581 OD2 ASP A 61 -14.447 6.976 29.400 1.00 30.48 O ATOM 582 H ASP A 61 -14.229 9.750 26.843 1.00 0.00 H ATOM 583 N GLU A 62 -17.418 10.766 26.815 1.00 12.20 N ATOM 584 CA GLU A 62 -18.623 11.587 26.698 1.00 10.60 C ATOM 585 C GLU A 62 -19.042 11.752 25.237 1.00 10.82 C ATOM 586 O GLU A 62 -20.238 11.656 24.921 1.00 11.11 O ATOM 587 CB GLU A 62 -18.419 12.949 27.369 1.00 10.33 C ATOM 588 CG GLU A 62 -18.495 12.829 28.890 1.00 13.53 C ATOM 589 CD GLU A 62 -17.948 14.024 29.608 1.00 17.67 C ATOM 590 OE1 GLU A 62 -17.246 14.846 28.998 1.00 15.15 O ATOM 591 OE2 GLU A 62 -18.206 14.115 30.838 1.00 17.19 O ATOM 592 H GLU A 62 -16.535 11.192 27.163 1.00 0.00 H ATOM 593 N ALA A 63 -18.064 11.976 24.362 1.00 11.65 N ATOM 594 CA ALA A 63 -18.372 12.061 22.937 1.00 9.70 C ATOM 595 C ALA A 63 -18.990 10.767 22.433 1.00 9.60 C ATOM 596 O ALA A 63 -19.931 10.799 21.646 1.00 10.05 O ATOM 597 CB ALA A 63 -17.121 12.403 22.162 1.00 10.52 C ATOM 598 H ALA A 63 -17.084 12.090 24.692 1.00 0.00 H ATOM 599 N GLU A 64 -18.453 9.632 22.874 1.00 10.57 N ATOM 600 CA GLU A 64 -18.968 8.341 22.401 1.00 8.80 C ATOM 601 C GLU A 64 -20.373 8.092 22.937 1.00 8.68 C ATOM 602 O GLU A 64 -21.231 7.530 22.244 1.00 10.71 O ATOM 603 CB GLU A 64 -17.987 7.206 22.749 1.00 12.16 C ATOM 604 CG GLU A 64 -16.738 7.326 21.875 1.00 13.40 C ATOM 605 CD GLU A 64 -15.607 6.433 22.328 1.00 25.53 C ATOM 606 OE1 GLU A 64 -15.646 5.936 23.489 1.00 24.40 O ATOM 607 OE2 GLU A 64 -14.683 6.234 21.507 1.00 25.71 O ATOM 608 H GLU A 64 -17.667 9.660 23.555 1.00 0.00 H ATOM 609 N LYS A 65 -20.657 8.567 24.156 1.00 8.59 N ATOM 610 CA LYS A 65 -22.005 8.416 24.690 1.00 9.23 C ATOM 611 C LYS A 65 -23.029 9.238 23.883 1.00 8.94 C ATOM 612 O LYS A 65 -24.112 8.744 23.545 1.00 10.90 O ATOM 613 CB LYS A 65 -22.064 8.770 26.185 1.00 11.14 C ATOM 614 CG LYS A 65 -23.406 8.431 26.778 1.00 13.37 C ATOM 615 CD LYS A 65 -23.389 8.594 28.297 1.00 17.26 C ATOM 616 CE LYS A 65 -24.693 8.090 28.917 1.00 18.99 C ATOM 617 NZ LYS A 65 -24.538 8.220 30.401 1.00 18.36 N ATOM 618 HZ1 LYS A 65 -23.730 7.645 30.716 1.00 0.00 H ATOM 619 HZ2 LYS A 65 -24.371 9.217 30.645 1.00 0.00 H ATOM 620 HZ3 LYS A 65 -25.405 7.887 30.869 1.00 0.00 H ATOM 621 H LYS A 65 -19.921 9.040 24.718 1.00 0.00 H ATOM 622 N LEU A 66 -22.690 10.497 23.582 1.00 9.21 N ATOM 623 CA LEU A 66 -23.551 11.302 22.703 1.00 9.60 C ATOM 624 C LEU A 66 -23.745 10.609 21.374 1.00 8.90 C ATOM 625 O LEU A 66 -24.833 10.624 20.825 1.00 9.35 O ATOM 626 CB LEU A 66 -22.964 12.709 22.440 1.00 9.27 C ATOM 627 CG LEU A 66 -22.869 13.635 23.670 1.00 11.73 C ATOM 628 CD1 LEU A 66 -22.180 14.953 23.272 1.00 15.24 C ATOM 629 CD2 LEU A 66 -24.227 13.902 24.311 1.00 13.78 C ATOM 630 H LEU A 66 -21.816 10.907 23.970 1.00 0.00 H ATOM 631 N PHE A 67 -22.659 10.035 20.847 1.00 8.47 N ATOM 632 CA PHE A 67 -22.735 9.375 19.545 1.00 8.10 C ATOM 633 C PHE A 67 -23.693 8.184 19.599 1.00 9.11 C ATOM 634 O PHE A 67 -24.535 8.013 18.693 1.00 10.09 O ATOM 635 CB PHE A 67 -21.324 8.931 19.177 1.00 9.68 C ATOM 636 CG PHE A 67 -21.154 8.365 17.772 1.00 9.98 C ATOM 637 CD1 PHE A 67 -21.860 8.857 16.677 1.00 10.06 C ATOM 638 CD2 PHE A 67 -20.208 7.389 17.562 1.00 10.45 C ATOM 639 CE1 PHE A 67 -21.659 8.320 15.396 1.00 9.50 C ATOM 640 CE2 PHE A 67 -19.971 6.893 16.265 1.00 10.87 C ATOM 641 CZ PHE A 67 -20.709 7.372 15.194 1.00 9.01 C ATOM 642 H PHE A 67 -21.757 10.058 21.365 1.00 0.00 H ATOM 643 N ASN A 68 -23.624 7.378 20.656 1.00 9.18 N ATOM 644 CA ASN A 68 -24.568 6.274 20.818 1.00 10.37 C ATOM 645 C ASN A 68 -26.009 6.794 20.835 1.00 10.21 C ATOM 646 O ASN A 68 -26.941 6.250 20.190 1.00 11.12 O ATOM 647 CB ASN A 68 -24.280 5.511 22.133 1.00 11.15 C ATOM 648 CG ASN A 68 -23.084 4.578 22.019 1.00 13.70 C ATOM 649 OD1 ASN A 68 -22.848 4.011 20.962 1.00 16.16 O ATOM 650 ND2 ASN A 68 -22.340 4.395 23.112 1.00 15.00 N ATOM 651 HD22 ASN A 68 -22.576 4.897 23.992 1.00 0.00 H ATOM 652 HD21 ASN A 68 -21.525 3.750 23.084 1.00 0.00 H ATOM 653 H ASN A 68 -22.890 7.536 21.375 1.00 0.00 H ATOM 654 N GLN A 69 -26.217 7.865 21.605 1.00 9.54 N ATOM 655 CA GLN A 69 -27.548 8.463 21.655 1.00 9.43 C ATOM 656 C GLN A 69 -28.023 8.964 20.310 1.00 8.36 C ATOM 657 O GLN A 69 -29.195 8.816 19.960 1.00 11.79 O ATOM 658 CB GLN A 69 -27.587 9.615 22.672 1.00 9.12 C ATOM 659 CG GLN A 69 -27.373 9.134 24.093 1.00 9.40 C ATOM 660 CD GLN A 69 -27.226 10.254 25.092 1.00 10.92 C ATOM 661 OE1 GLN A 69 -27.133 11.451 24.715 1.00 15.00 O ATOM 662 NE2 GLN A 69 -27.205 9.885 26.356 1.00 10.61 N ATOM 663 HE22 GLN A 69 -27.286 8.879 26.605 1.00 0.00 H ATOM 664 HE21 GLN A 69 -27.107 10.600 27.105 1.00 0.00 H ATOM 665 H GLN A 69 -25.438 8.269 22.164 1.00 0.00 H ATOM 666 N ASP A 70 -27.109 9.570 19.552 1.00 8.67 N ATOM 667 CA ASP A 70 -27.476 10.146 18.271 1.00 9.60 C ATOM 668 C ASP A 70 -27.764 9.090 17.193 1.00 9.14 C ATOM 669 O ASP A 70 -28.678 9.274 16.387 1.00 10.19 O ATOM 670 CB ASP A 70 -26.365 11.098 17.807 1.00 9.50 C ATOM 671 CG ASP A 70 -26.265 12.344 18.675 1.00 13.75 C ATOM 672 OD1 ASP A 70 -27.259 12.674 19.382 1.00 14.04 O ATOM 673 OD2 ASP A 70 -25.198 13.006 18.617 1.00 12.70 O ATOM 674 H ASP A 70 -26.124 9.631 19.881 1.00 0.00 H ATOM 675 N VAL A 71 -26.993 8.012 17.195 1.00 8.04 N ATOM 676 CA VAL A 71 -27.285 6.901 16.262 1.00 7.36 C ATOM 677 C VAL A 71 -28.632 6.273 16.622 1.00 9.63 C ATOM 678 O VAL A 71 -29.470 6.020 15.725 1.00 11.14 O ATOM 679 CB VAL A 71 -26.157 5.875 16.287 1.00 9.56 C ATOM 680 CG1 VAL A 71 -26.550 4.658 15.436 1.00 11.37 C ATOM 681 CG2 VAL A 71 -24.865 6.501 15.691 1.00 11.28 C ATOM 682 H VAL A 71 -26.187 7.947 17.849 1.00 0.00 H ATOM 683 N ASP A 72 -28.852 6.028 17.921 1.00 11.74 N ATOM 684 CA ASP A 72 -30.135 5.474 18.372 1.00 12.78 C ATOM 685 C ASP A 72 -31.273 6.402 17.910 1.00 12.10 C ATOM 686 O ASP A 72 -32.273 5.958 17.327 1.00 12.65 O ATOM 687 CB ASP A 72 -30.050 5.339 19.905 1.00 12.30 C ATOM 688 CG ASP A 72 -31.217 4.598 20.532 1.00 24.33 C ATOM 689 OD1 ASP A 72 -30.978 3.848 21.505 1.00 22.75 O ATOM 690 OD2 ASP A 72 -32.364 4.811 20.133 1.00 20.00 O ATOM 691 H ASP A 72 -28.107 6.232 18.617 1.00 0.00 H ATOM 692 N ALA A 73 -31.119 7.711 18.092 1.00 11.70 N ATOM 693 CA ALA A 73 -32.156 8.643 17.684 1.00 12.52 C ATOM 694 C ALA A 73 -32.415 8.632 16.180 1.00 10.84 C ATOM 695 O ALA A 73 -33.569 8.783 15.732 1.00 13.50 O ATOM 696 CB ALA A 73 -31.817 10.077 18.167 1.00 14.90 C ATOM 697 H ALA A 73 -30.247 8.071 18.531 1.00 0.00 H ATOM 698 N ALA A 74 -31.365 8.468 15.385 1.00 10.62 N ATOM 699 CA ALA A 74 -31.549 8.397 13.938 1.00 10.40 C ATOM 700 C ALA A 74 -32.335 7.153 13.556 1.00 9.15 C ATOM 701 O ALA A 74 -33.238 7.230 12.726 1.00 11.54 O ATOM 702 CB ALA A 74 -30.197 8.400 13.233 1.00 10.80 C ATOM 703 H ALA A 74 -30.411 8.390 15.792 1.00 0.00 H ATOM 704 N VAL A 75 -31.985 6.019 14.166 1.00 9.68 N ATOM 705 CA VAL A 75 -32.725 4.790 13.875 1.00 10.83 C ATOM 706 C VAL A 75 -34.179 4.914 14.316 1.00 12.27 C ATOM 707 O VAL A 75 -35.091 4.540 13.570 1.00 12.69 O ATOM 708 CB VAL A 75 -32.092 3.600 14.587 1.00 10.11 C ATOM 709 CG1 VAL A 75 -32.991 2.360 14.432 1.00 15.66 C ATOM 710 CG2 VAL A 75 -30.686 3.296 14.025 1.00 12.06 C ATOM 711 H VAL A 75 -31.194 6.008 14.841 1.00 0.00 H ATOM 712 N ARG A 76 -34.415 5.436 15.512 1.00 13.54 N ATOM 713 CA ARG A 76 -35.799 5.645 15.945 1.00 16.29 C ATOM 714 C ARG A 76 -36.573 6.596 15.059 1.00 15.54 C ATOM 715 O ARG A 76 -37.773 6.388 14.816 1.00 17.25 O ATOM 716 CB ARG A 76 -35.800 6.168 17.368 1.00 17.73 C ATOM 717 CG ARG A 76 -35.399 5.116 18.310 1.00 23.50 C ATOM 718 CD ARG A 76 -35.986 5.413 19.660 1.00 34.26 C ATOM 719 NE ARG A 76 -35.424 4.543 20.677 1.00 26.07 N ATOM 720 CZ ARG A 76 -36.040 3.475 21.168 1.00 33.24 C ATOM 721 NH1 ARG A 76 -37.245 3.124 20.733 1.00 27.55 N ATOM 722 NH2 ARG A 76 -35.439 2.757 22.098 1.00 19.80 N ATOM 723 HE ARG A 76 -34.478 4.771 21.044 1.00 0.00 H ATOM 724 HH12 ARG A 76 -37.716 2.285 21.127 1.00 0.00 H ATOM 725 HH11 ARG A 76 -37.718 3.689 19.999 1.00 0.00 H ATOM 726 HH22 ARG A 76 -35.910 1.917 22.492 1.00 0.00 H ATOM 727 HH21 ARG A 76 -34.495 3.031 22.437 1.00 0.00 H ATOM 728 H ARG A 76 -33.625 5.695 16.137 1.00 0.00 H ATOM 729 N GLY A 77 -35.910 7.628 14.557 1.00 13.54 N ATOM 730 CA GLY A 77 -36.538 8.578 13.665 1.00 15.72 C ATOM 731 C GLY A 77 -37.005 7.898 12.390 1.00 17.32 C ATOM 732 O GLY A 77 -38.089 8.171 11.866 1.00 18.78 O ATOM 733 H GLY A 77 -34.910 7.758 14.812 1.00 0.00 H ATOM 734 N ILE A 78 -36.183 6.986 11.886 1.00 10.94 N ATOM 735 CA ILE A 78 -36.582 6.222 10.734 1.00 10.92 C ATOM 736 C ILE A 78 -37.774 5.324 11.043 1.00 13.98 C ATOM 737 O ILE A 78 -38.724 5.283 10.265 1.00 13.18 O ATOM 738 CB ILE A 78 -35.401 5.380 10.249 1.00 10.52 C ATOM 739 CG1 ILE A 78 -34.371 6.290 9.581 1.00 10.56 C ATOM 740 CG2 ILE A 78 -35.879 4.318 9.244 1.00 12.09 C ATOM 741 CD1 ILE A 78 -33.038 5.601 9.375 1.00 13.01 C ATOM 742 H ILE A 78 -35.253 6.824 12.323 1.00 0.00 H ATOM 743 N LEU A 79 -37.701 4.593 12.150 1.00 13.17 N ATOM 744 CA LEU A 79 -38.764 3.625 12.454 1.00 13.04 C ATOM 745 C LEU A 79 -40.103 4.286 12.746 1.00 18.80 C ATOM 746 O LEU A 79 -41.164 3.680 12.486 1.00 18.83 O ATOM 747 CB LEU A 79 -38.355 2.709 13.602 1.00 15.18 C ATOM 748 CG LEU A 79 -37.135 1.833 13.323 1.00 17.34 C ATOM 749 CD1 LEU A 79 -36.760 1.007 14.564 1.00 23.27 C ATOM 750 CD2 LEU A 79 -37.294 0.919 12.101 1.00 22.50 C ATOM 751 H LEU A 79 -36.896 4.705 12.798 1.00 0.00 H ATOM 752 N ARG A 80 -40.083 5.526 13.226 1.00 15.28 N ATOM 753 CA ARG A 80 -41.337 6.245 13.505 1.00 15.76 C ATOM 754 C ARG A 80 -41.918 7.005 12.313 1.00 20.51 C ATOM 755 O ARG A 80 -43.014 7.580 12.396 1.00 21.93 O ATOM 756 CB ARG A 80 -41.143 7.222 14.681 1.00 20.11 C ATOM 757 H ARG A 80 -39.171 5.993 13.406 1.00 0.00 H ATOM 758 N ASN A 81 -41.193 7.058 11.201 1.00 15.53 N ATOM 759 CA ASN A 81 -41.605 7.886 10.100 1.00 13.88 C ATOM 760 C ASN A 81 -42.251 7.027 9.030 1.00 15.86 C ATOM 761 O ASN A 81 -41.647 6.091 8.515 1.00 16.04 O ATOM 762 CB ASN A 81 -40.376 8.613 9.529 1.00 16.21 C ATOM 763 CG ASN A 81 -40.736 9.611 8.461 1.00 19.59 C ATOM 764 OD1 ASN A 81 -41.071 9.238 7.337 1.00 19.84 O ATOM 765 ND2 ASN A 81 -40.623 10.896 8.788 1.00 20.64 N ATOM 766 HD22 ASN A 81 -40.337 11.164 9.751 1.00 0.00 H ATOM 767 HD21 ASN A 81 -40.821 11.632 8.080 1.00 0.00 H ATOM 768 H ASN A 81 -40.321 6.496 11.126 1.00 0.00 H ATOM 769 N ALA A 82 -43.488 7.344 8.676 1.00 18.97 N ATOM 770 CA ALA A 82 -44.223 6.489 7.763 1.00 19.91 C ATOM 771 C ALA A 82 -43.641 6.424 6.355 1.00 17.00 C ATOM 772 O ALA A 82 -43.895 5.445 5.625 1.00 20.50 O ATOM 773 CB ALA A 82 -45.687 6.945 7.710 1.00 23.17 C ATOM 774 H ALA A 82 -43.932 8.206 9.053 1.00 0.00 H ATOM 775 N LYS A 83 -42.882 7.449 5.961 1.00 16.57 N ATOM 776 CA LYS A 83 -42.227 7.458 4.650 1.00 15.12 C ATOM 777 C LYS A 83 -40.915 6.697 4.676 1.00 16.62 C ATOM 778 O LYS A 83 -40.552 6.013 3.709 1.00 21.55 O ATOM 779 CB LYS A 83 -41.971 8.880 4.139 1.00 20.93 C ATOM 780 CG LYS A 83 -43.232 9.651 3.756 1.00 29.65 C ATOM 781 CD LYS A 83 -42.859 10.908 2.966 1.00 27.41 C ATOM 782 CE LYS A 83 -42.054 10.558 1.710 1.00 25.99 C ATOM 783 NZ LYS A 83 -41.733 11.737 0.851 1.00 20.47 N ATOM 784 HZ1 LYS A 83 -42.617 12.186 0.537 1.00 0.00 H ATOM 785 HZ2 LYS A 83 -41.171 12.420 1.398 1.00 0.00 H ATOM 786 HZ3 LYS A 83 -41.189 11.423 0.023 1.00 0.00 H ATOM 787 H LYS A 83 -42.752 8.260 6.599 1.00 0.00 H ATOM 788 N LEU A 84 -40.212 6.766 5.797 1.00 11.62 N ATOM 789 CA LEU A 84 -38.883 6.177 5.848 1.00 11.69 C ATOM 790 C LEU A 84 -38.878 4.709 6.237 1.00 10.57 C ATOM 791 O LEU A 84 -38.112 3.921 5.688 1.00 11.67 O ATOM 792 CB LEU A 84 -37.993 6.936 6.846 1.00 9.65 C ATOM 793 CG LEU A 84 -37.745 8.409 6.463 1.00 12.18 C ATOM 794 CD1 LEU A 84 -36.910 9.087 7.566 1.00 12.42 C ATOM 795 CD2 LEU A 84 -37.084 8.614 5.093 1.00 15.80 C ATOM 796 H LEU A 84 -40.608 7.238 6.635 1.00 0.00 H ATOM 797 N LYS A 85 -39.722 4.329 7.179 1.00 11.05 N ATOM 798 CA LYS A 85 -39.695 2.955 7.658 1.00 10.94 C ATOM 799 C LYS A 85 -39.860 1.897 6.561 1.00 11.57 C ATOM 800 O LYS A 85 -39.077 0.955 6.526 1.00 11.30 O ATOM 801 CB LYS A 85 -40.727 2.716 8.768 1.00 13.11 C ATOM 802 CG LYS A 85 -40.594 1.314 9.362 1.00 15.03 C ATOM 803 CD LYS A 85 -41.516 1.097 10.546 1.00 20.58 C ATOM 804 CE LYS A 85 -41.225 -0.271 11.196 1.00 25.27 C ATOM 805 NZ LYS A 85 -41.664 -1.401 10.351 1.00 31.47 N ATOM 806 HZ1 LYS A 85 -42.689 -1.333 10.189 1.00 0.00 H ATOM 807 HZ2 LYS A 85 -41.165 -1.365 9.439 1.00 0.00 H ATOM 808 HZ3 LYS A 85 -41.446 -2.297 10.832 1.00 0.00 H ATOM 809 H LYS A 85 -40.402 5.008 7.576 1.00 0.00 H ATOM 810 N PRO A 86 -40.859 2.036 5.668 1.00 11.27 N ATOM 811 CA PRO A 86 -40.961 0.945 4.685 1.00 11.61 C ATOM 812 C PRO A 86 -39.730 0.833 3.784 1.00 10.85 C ATOM 813 O PRO A 86 -39.342 -0.282 3.393 1.00 12.63 O ATOM 814 CB PRO A 86 -42.199 1.310 3.844 1.00 13.35 C ATOM 815 CG PRO A 86 -42.620 2.679 4.310 1.00 20.80 C ATOM 816 CD PRO A 86 -42.005 2.954 5.635 1.00 13.36 C ATOM 817 N VAL A 87 -39.121 1.963 3.433 1.00 9.74 N ATOM 818 CA VAL A 87 -37.930 1.885 2.597 1.00 11.11 C ATOM 819 C VAL A 87 -36.791 1.237 3.383 1.00 10.32 C ATOM 820 O VAL A 87 -36.100 0.331 2.895 1.00 10.16 O ATOM 821 CB VAL A 87 -37.509 3.272 2.127 1.00 11.98 C ATOM 822 CG1 VAL A 87 -36.333 3.139 1.142 1.00 12.58 C ATOM 823 CG2 VAL A 87 -38.699 3.987 1.446 1.00 15.36 C ATOM 824 H VAL A 87 -39.488 2.883 3.749 1.00 0.00 H ATOM 825 N TYR A 88 -36.578 1.680 4.621 1.00 9.24 N ATOM 826 CA TYR A 88 -35.568 1.080 5.450 1.00 9.49 C ATOM 827 C TYR A 88 -35.744 -0.418 5.621 1.00 10.08 C ATOM 828 O TYR A 88 -34.789 -1.173 5.455 1.00 10.93 O ATOM 829 CB TYR A 88 -35.580 1.814 6.810 1.00 9.85 C ATOM 830 CG TYR A 88 -34.530 1.370 7.804 1.00 11.01 C ATOM 831 CD1 TYR A 88 -33.233 1.889 7.762 1.00 10.83 C ATOM 832 CD2 TYR A 88 -34.837 0.430 8.768 1.00 14.94 C ATOM 833 CE1 TYR A 88 -32.281 1.491 8.659 1.00 12.39 C ATOM 834 CE2 TYR A 88 -33.891 0.039 9.684 1.00 17.74 C ATOM 835 CZ TYR A 88 -32.609 0.578 9.613 1.00 16.57 C ATOM 836 OH TYR A 88 -31.644 0.173 10.516 1.00 20.05 O ATOM 837 HH TYR A 88 -30.797 0.649 10.328 1.00 0.00 H ATOM 838 H TYR A 88 -37.148 2.467 4.991 1.00 0.00 H ATOM 839 N ASP A 89 -36.968 -0.825 5.922 1.00 10.85 N ATOM 840 CA ASP A 89 -37.242 -2.263 6.121 1.00 12.20 C ATOM 841 C ASP A 89 -36.980 -3.058 4.864 1.00 10.75 C ATOM 842 O ASP A 89 -36.626 -4.239 4.925 1.00 13.53 O ATOM 843 CB ASP A 89 -38.688 -2.441 6.527 1.00 12.62 C ATOM 844 CG ASP A 89 -38.923 -2.110 8.000 1.00 17.65 C ATOM 845 OD1 ASP A 89 -37.928 -1.960 8.753 1.00 19.29 O ATOM 846 OD2 ASP A 89 -40.115 -2.040 8.374 1.00 23.76 O ATOM 847 H ASP A 89 -37.737 -0.131 6.018 1.00 0.00 H ATOM 848 N SER A 90 -37.136 -2.419 3.705 1.00 9.14 N ATOM 849 CA SER A 90 -36.879 -3.110 2.446 1.00 10.21 C ATOM 850 C SER A 90 -35.409 -3.350 2.130 1.00 9.53 C ATOM 851 O SER A 90 -35.063 -4.173 1.262 1.00 9.81 O ATOM 852 CB SER A 90 -37.569 -2.354 1.291 1.00 11.48 C ATOM 853 OG SER A 90 -36.779 -1.255 0.806 1.00 11.23 O ATOM 854 HG SER A 90 -36.623 -0.612 1.543 1.00 0.00 H ATOM 855 H SER A 90 -37.442 -1.425 3.698 1.00 0.00 H ATOM 856 N LEU A 91 -34.526 -2.607 2.808 1.00 9.62 N ATOM 857 CA LEU A 91 -33.102 -2.614 2.457 1.00 8.41 C ATOM 858 C LEU A 91 -32.346 -3.751 3.149 1.00 8.40 C ATOM 859 O LEU A 91 -32.765 -4.229 4.211 1.00 11.20 O ATOM 860 CB LEU A 91 -32.449 -1.283 2.891 1.00 9.23 C ATOM 861 CG LEU A 91 -32.958 -0.037 2.149 1.00 9.80 C ATOM 862 CD1 LEU A 91 -32.397 1.224 2.837 1.00 10.87 C ATOM 863 CD2 LEU A 91 -32.538 -0.052 0.699 1.00 12.15 C ATOM 864 H LEU A 91 -34.855 -2.015 3.597 1.00 0.00 H ATOM 865 N ASP A 92 -31.223 -4.137 2.556 1.00 9.38 N ATOM 866 CA ASP A 92 -30.227 -4.975 3.226 1.00 8.64 C ATOM 867 C ASP A 92 -29.428 -4.216 4.289 1.00 11.74 C ATOM 868 O ASP A 92 -29.512 -2.977 4.385 1.00 11.32 O ATOM 869 CB ASP A 92 -29.254 -5.455 2.166 1.00 10.71 C ATOM 870 CG ASP A 92 -28.596 -4.311 1.472 1.00 11.43 C ATOM 871 OD1 ASP A 92 -29.205 -3.816 0.494 1.00 12.40 O ATOM 872 OD2 ASP A 92 -27.491 -3.905 1.936 1.00 14.11 O ATOM 873 H ASP A 92 -31.044 -3.832 1.578 1.00 0.00 H ATOM 874 N ALA A 93 -28.640 -4.947 5.071 1.00 12.02 N ATOM 875 CA ALA A 93 -27.956 -4.344 6.204 1.00 11.28 C ATOM 876 C ALA A 93 -26.991 -3.213 5.849 1.00 11.41 C ATOM 877 O ALA A 93 -26.898 -2.225 6.594 1.00 13.83 O ATOM 878 CB ALA A 93 -27.229 -5.423 7.038 1.00 14.12 C ATOM 879 H ALA A 93 -28.511 -5.959 4.871 1.00 0.00 H ATOM 880 N VAL A 94 -26.242 -3.349 4.765 1.00 11.09 N ATOM 881 CA VAL A 94 -25.271 -2.318 4.402 1.00 9.75 C ATOM 882 C VAL A 94 -26.018 -1.063 3.969 1.00 10.30 C ATOM 883 O VAL A 94 -25.687 0.065 4.404 1.00 9.95 O ATOM 884 CB VAL A 94 -24.320 -2.834 3.344 1.00 10.86 C ATOM 885 CG1 VAL A 94 -23.366 -1.704 2.889 1.00 13.22 C ATOM 886 CG2 VAL A 94 -23.535 -4.017 3.902 1.00 14.22 C ATOM 887 H VAL A 94 -26.345 -4.195 4.168 1.00 0.00 H ATOM 888 N ARG A 95 -27.041 -1.214 3.129 1.00 9.57 N ATOM 889 CA ARG A 95 -27.755 -0.034 2.688 1.00 7.98 C ATOM 890 C ARG A 95 -28.536 0.607 3.843 1.00 8.27 C ATOM 891 O ARG A 95 -28.735 1.836 3.851 1.00 8.62 O ATOM 892 CB ARG A 95 -28.653 -0.381 1.500 1.00 8.60 C ATOM 893 CG ARG A 95 -27.826 -0.775 0.290 1.00 8.12 C ATOM 894 CD ARG A 95 -28.764 -1.004 -0.891 1.00 10.22 C ATOM 895 NE ARG A 95 -28.055 -1.160 -2.154 1.00 9.19 N ATOM 896 CZ ARG A 95 -27.723 -2.342 -2.690 1.00 9.67 C ATOM 897 NH1 ARG A 95 -27.993 -3.480 -2.063 1.00 11.88 N ATOM 898 NH2 ARG A 95 -27.113 -2.355 -3.870 1.00 11.17 N ATOM 899 HE ARG A 95 -27.790 -0.299 -2.673 1.00 0.00 H ATOM 900 HH12 ARG A 95 -27.727 -4.388 -2.495 1.00 0.00 H ATOM 901 HH11 ARG A 95 -28.470 -3.464 -1.139 1.00 0.00 H ATOM 902 HH22 ARG A 95 -26.845 -3.260 -4.307 1.00 0.00 H ATOM 903 HH21 ARG A 95 -26.903 -1.460 -4.357 1.00 0.00 H ATOM 904 H ARG A 95 -27.321 -2.159 2.797 1.00 0.00 H ATOM 905 N ARG A 96 -28.937 -0.177 4.854 1.00 7.92 N ATOM 906 CA ARG A 96 -29.588 0.409 6.036 1.00 8.20 C ATOM 907 C ARG A 96 -28.616 1.370 6.736 1.00 8.25 C ATOM 908 O ARG A 96 -29.051 2.405 7.241 1.00 9.93 O ATOM 909 CB ARG A 96 -30.033 -0.662 7.013 1.00 9.47 C ATOM 910 CG ARG A 96 -31.324 -1.317 6.565 1.00 9.48 C ATOM 911 CD ARG A 96 -31.779 -2.377 7.577 1.00 9.93 C ATOM 912 NE ARG A 96 -32.995 -3.022 7.076 1.00 12.50 N ATOM 913 CZ ARG A 96 -33.479 -4.154 7.574 1.00 15.95 C ATOM 914 NH1 ARG A 96 -32.879 -4.726 8.612 1.00 18.19 N ATOM 915 NH2 ARG A 96 -34.581 -4.689 7.063 1.00 13.57 N ATOM 916 HE ARG A 96 -33.505 -2.570 6.290 1.00 0.00 H ATOM 917 HH12 ARG A 96 -33.254 -5.613 9.006 1.00 0.00 H ATOM 918 HH11 ARG A 96 -32.034 -4.287 9.031 1.00 0.00 H ATOM 919 HH22 ARG A 96 -34.958 -5.576 7.454 1.00 0.00 H ATOM 920 HH21 ARG A 96 -35.067 -4.222 6.271 1.00 0.00 H ATOM 921 H ARG A 96 -28.787 -1.205 4.802 1.00 0.00 H ATOM 922 N CYS A 97 -27.319 1.046 6.704 1.00 9.45 N ATOM 923 CA CYS A 97 -26.341 1.964 7.298 1.00 10.22 C ATOM 924 C CYS A 97 -26.265 3.277 6.522 1.00 8.60 C ATOM 925 O CYS A 97 -26.163 4.350 7.123 1.00 8.75 O ATOM 926 CB CYS A 97 -24.946 1.368 7.328 1.00 8.42 C ATOM 927 SG CYS A 97 -24.822 0.004 8.491 1.00 12.29 S ATOM 928 H CYS A 97 -27.008 0.156 6.264 1.00 0.00 H ATOM 929 N ALA A 98 -26.329 3.208 5.197 1.00 7.97 N ATOM 930 CA ALA A 98 -26.371 4.433 4.403 1.00 7.52 C ATOM 931 C ALA A 98 -27.586 5.286 4.755 1.00 8.46 C ATOM 932 O ALA A 98 -27.478 6.516 4.839 1.00 8.40 O ATOM 933 CB ALA A 98 -26.342 4.088 2.927 1.00 8.17 C ATOM 934 H ALA A 98 -26.349 2.282 4.725 1.00 0.00 H ATOM 935 N ALA A 99 -28.726 4.633 4.982 1.00 7.80 N ATOM 936 CA ALA A 99 -29.914 5.373 5.383 1.00 8.04 C ATOM 937 C ALA A 99 -29.740 6.056 6.723 1.00 8.65 C ATOM 938 O ALA A 99 -30.160 7.200 6.895 1.00 9.35 O ATOM 939 CB ALA A 99 -31.122 4.413 5.448 1.00 9.95 C ATOM 940 H ALA A 99 -28.766 3.600 4.873 1.00 0.00 H ATOM 941 N ILE A 100 -29.201 5.316 7.700 1.00 7.65 N ATOM 942 CA ILE A 100 -28.989 5.909 9.010 1.00 7.60 C ATOM 943 C ILE A 100 -28.032 7.087 8.891 1.00 9.00 C ATOM 944 O ILE A 100 -28.224 8.127 9.542 1.00 9.28 O ATOM 945 CB ILE A 100 -28.471 4.871 10.004 1.00 6.78 C ATOM 946 CG1 ILE A 100 -29.532 3.810 10.248 1.00 8.89 C ATOM 947 CG2 ILE A 100 -28.145 5.579 11.339 1.00 10.76 C ATOM 948 CD1 ILE A 100 -28.912 2.541 10.847 1.00 11.03 C ATOM 949 H ILE A 100 -28.936 4.326 7.523 1.00 0.00 H ATOM 950 N ASN A 101 -27.003 6.942 8.060 1.00 7.66 N ATOM 951 CA ASN A 101 -26.024 8.029 7.881 1.00 7.90 C ATOM 952 C ASN A 101 -26.726 9.298 7.378 1.00 9.22 C ATOM 953 O ASN A 101 -26.524 10.383 7.926 1.00 9.01 O ATOM 954 CB ASN A 101 -24.929 7.530 6.908 1.00 7.84 C ATOM 955 CG ASN A 101 -23.726 8.441 6.834 1.00 9.14 C ATOM 956 OD1 ASN A 101 -23.843 9.656 6.643 1.00 9.74 O ATOM 957 ND2 ASN A 101 -22.547 7.849 6.982 1.00 9.16 N ATOM 958 HD22 ASN A 101 -22.497 6.822 7.141 1.00 0.00 H ATOM 959 HD21 ASN A 101 -21.673 8.412 6.939 1.00 0.00 H ATOM 960 H ASN A 101 -26.889 6.053 7.532 1.00 0.00 H ATOM 961 N MET A 102 -27.586 9.178 6.366 1.00 8.68 N ATOM 962 CA MET A 102 -28.295 10.348 5.856 1.00 7.73 C ATOM 963 C MET A 102 -29.156 10.997 6.932 1.00 8.86 C ATOM 964 O MET A 102 -29.196 12.220 7.045 1.00 9.20 O ATOM 965 CB MET A 102 -29.232 9.980 4.690 1.00 10.00 C ATOM 966 CG MET A 102 -28.491 9.624 3.450 1.00 10.68 C ATOM 967 SD MET A 102 -29.635 9.514 2.028 1.00 14.72 S ATOM 968 CE MET A 102 -29.978 11.229 1.620 1.00 15.79 C ATOM 969 H MET A 102 -27.753 8.245 5.937 1.00 0.00 H ATOM 970 N VAL A 103 -29.888 10.174 7.681 1.00 8.57 N ATOM 971 CA VAL A 103 -30.761 10.714 8.732 1.00 9.34 C ATOM 972 C VAL A 103 -29.935 11.359 9.837 1.00 9.13 C ATOM 973 O VAL A 103 -30.322 12.409 10.378 1.00 10.67 O ATOM 974 CB VAL A 103 -31.698 9.625 9.267 1.00 9.11 C ATOM 975 CG1 VAL A 103 -32.446 10.099 10.534 1.00 12.24 C ATOM 976 CG2 VAL A 103 -32.706 9.260 8.175 1.00 11.17 C ATOM 977 H VAL A 103 -29.841 9.147 7.522 1.00 0.00 H ATOM 978 N PHE A 104 -28.789 10.788 10.159 1.00 8.45 N ATOM 979 CA PHE A 104 -27.876 11.414 11.129 1.00 8.76 C ATOM 980 C PHE A 104 -27.437 12.788 10.636 1.00 9.67 C ATOM 981 O PHE A 104 -27.439 13.766 11.400 1.00 11.69 O ATOM 982 CB PHE A 104 -26.691 10.463 11.398 1.00 7.45 C ATOM 983 CG PHE A 104 -25.729 10.945 12.472 1.00 8.30 C ATOM 984 CD1 PHE A 104 -24.789 11.915 12.173 1.00 12.07 C ATOM 985 CD2 PHE A 104 -25.711 10.335 13.709 1.00 11.74 C ATOM 986 CE1 PHE A 104 -23.875 12.345 13.149 1.00 13.95 C ATOM 987 CE2 PHE A 104 -24.806 10.744 14.694 1.00 11.85 C ATOM 988 CZ PHE A 104 -23.891 11.742 14.387 1.00 13.15 C ATOM 989 H PHE A 104 -28.527 9.882 9.721 1.00 0.00 H ATOM 990 N GLN A 105 -27.100 12.917 9.360 1.00 8.76 N ATOM 991 CA GLN A 105 -26.589 14.194 8.880 1.00 8.93 C ATOM 992 C GLN A 105 -27.686 15.245 8.722 1.00 12.25 C ATOM 993 O GLN A 105 -27.492 16.418 9.074 1.00 13.62 O ATOM 994 CB GLN A 105 -25.894 13.985 7.528 1.00 10.52 C ATOM 995 CG GLN A 105 -25.243 15.287 7.008 1.00 10.45 C ATOM 996 CD GLN A 105 -24.508 15.102 5.702 1.00 10.87 C ATOM 997 OE1 GLN A 105 -24.457 14.025 5.137 1.00 10.56 O ATOM 998 NE2 GLN A 105 -23.996 16.203 5.165 1.00 13.45 N ATOM 999 HE22 GLN A 105 -24.057 17.107 5.675 1.00 0.00 H ATOM 1000 HE21 GLN A 105 -23.534 16.161 4.234 1.00 0.00 H ATOM 1001 H GLN A 105 -27.200 12.113 8.707 1.00 0.00 H ATOM 1002 N MET A 106 -28.819 14.849 8.163 1.00 11.26 N ATOM 1003 CA MET A 106 -29.800 15.857 7.777 1.00 11.02 C ATOM 1004 C MET A 106 -31.127 15.802 8.520 1.00 12.18 C ATOM 1005 O MET A 106 -31.973 16.688 8.328 1.00 14.70 O ATOM 1006 CB MET A 106 -29.994 15.903 6.249 1.00 17.80 C ATOM 1007 CG MET A 106 -30.586 14.674 5.651 1.00 14.93 C ATOM 1008 SD MET A 106 -30.835 14.747 3.855 1.00 21.47 S ATOM 1009 CE MET A 106 -29.182 14.403 3.257 1.00 17.33 C ATOM 1010 H MET A 106 -29.006 13.839 8.002 1.00 0.00 H ATOM 1011 N GLY A 107 -31.295 14.815 9.392 1.00 10.95 N ATOM 1012 CA GLY A 107 -32.515 14.654 10.154 1.00 12.63 C ATOM 1013 C GLY A 107 -33.597 13.897 9.401 1.00 12.45 C ATOM 1014 O GLY A 107 -33.593 13.821 8.164 1.00 12.78 O ATOM 1015 H GLY A 107 -30.522 14.133 9.533 1.00 0.00 H ATOM 1016 N GLU A 108 -34.517 13.338 10.179 1.00 14.59 N ATOM 1017 CA GLU A 108 -35.633 12.542 9.665 1.00 15.30 C ATOM 1018 C GLU A 108 -36.472 13.295 8.638 1.00 16.59 C ATOM 1019 O GLU A 108 -36.770 12.780 7.560 1.00 16.40 O ATOM 1020 CB GLU A 108 -36.501 12.059 10.856 1.00 19.85 C ATOM 1021 CG GLU A 108 -37.861 11.523 10.509 1.00 29.08 C ATOM 1022 CD GLU A 108 -38.820 11.470 11.696 1.00 27.06 C ATOM 1023 OE1 GLU A 108 -40.041 11.401 11.440 1.00 28.33 O ATOM 1024 OE2 GLU A 108 -38.373 11.505 12.876 1.00 28.92 O ATOM 1025 H GLU A 108 -34.441 13.473 11.207 1.00 0.00 H ATOM 1026 N THR A 109 -36.889 14.513 8.959 1.00 18.94 N ATOM 1027 CA THR A 109 -37.770 15.273 8.082 1.00 21.59 C ATOM 1028 C THR A 109 -37.114 15.592 6.736 1.00 18.49 C ATOM 1029 O THR A 109 -37.747 15.493 5.665 1.00 18.67 O ATOM 1030 CB THR A 109 -38.226 16.572 8.781 1.00 19.41 C ATOM 1031 OG1 THR A 109 -38.779 16.246 10.065 1.00 21.83 O ATOM 1032 CG2 THR A 109 -39.267 17.295 7.941 1.00 22.83 C ATOM 1033 HG1 THR A 109 -38.090 15.796 10.615 1.00 0.00 H ATOM 1034 H THR A 109 -36.580 14.935 9.858 1.00 0.00 H ATOM 1035 N GLY A 110 -35.838 15.971 6.790 1.00 19.11 N ATOM 1036 CA GLY A 110 -35.082 16.268 5.583 1.00 19.05 C ATOM 1037 C GLY A 110 -35.004 15.065 4.661 1.00 17.46 C ATOM 1038 O GLY A 110 -35.276 15.158 3.455 1.00 18.25 O ATOM 1039 H GLY A 110 -35.372 16.056 7.716 1.00 0.00 H ATOM 1040 N VAL A 111 -34.641 13.912 5.211 1.00 14.46 N ATOM 1041 CA VAL A 111 -34.518 12.732 4.375 1.00 11.88 C ATOM 1042 C VAL A 111 -35.876 12.282 3.831 1.00 12.90 C ATOM 1043 O VAL A 111 -35.977 11.789 2.695 1.00 13.74 O ATOM 1044 CB VAL A 111 -33.861 11.568 5.125 1.00 12.73 C ATOM 1045 CG1 VAL A 111 -33.796 10.333 4.227 1.00 13.29 C ATOM 1046 CG2 VAL A 111 -32.451 11.955 5.559 1.00 14.91 C ATOM 1047 H VAL A 111 -34.447 13.855 6.231 1.00 0.00 H ATOM 1048 N ALA A 112 -36.917 12.413 4.653 1.00 13.34 N ATOM 1049 CA ALA A 112 -38.253 12.006 4.211 1.00 15.71 C ATOM 1050 C ALA A 112 -38.728 12.831 3.011 1.00 17.01 C ATOM 1051 O ALA A 112 -39.635 12.407 2.258 1.00 19.90 O ATOM 1052 CB ALA A 112 -39.246 12.073 5.396 1.00 15.00 C ATOM 1053 H ALA A 112 -36.781 12.804 5.607 1.00 0.00 H ATOM 1054 N GLY A 113 -38.084 13.972 2.788 1.00 14.91 N ATOM 1055 CA GLY A 113 -38.371 14.782 1.610 1.00 19.24 C ATOM 1056 C GLY A 113 -37.795 14.250 0.300 1.00 20.95 C ATOM 1057 O GLY A 113 -38.163 14.723 -0.783 1.00 20.13 O ATOM 1058 H GLY A 113 -37.363 14.293 3.465 1.00 0.00 H ATOM 1059 N PHE A 114 -36.883 13.276 0.379 1.00 15.66 N ATOM 1060 CA PHE A 114 -36.214 12.754 -0.812 1.00 13.79 C ATOM 1061 C PHE A 114 -37.159 11.722 -1.466 1.00 12.36 C ATOM 1062 O PHE A 114 -36.778 10.590 -1.732 1.00 12.88 O ATOM 1063 CB PHE A 114 -34.887 12.086 -0.418 1.00 12.14 C ATOM 1064 CG PHE A 114 -33.679 13.016 -0.346 1.00 12.24 C ATOM 1065 CD1 PHE A 114 -32.588 12.827 -1.204 1.00 12.77 C ATOM 1066 CD2 PHE A 114 -33.618 14.051 0.580 1.00 17.98 C ATOM 1067 CE1 PHE A 114 -31.446 13.657 -1.154 1.00 15.61 C ATOM 1068 CE2 PHE A 114 -32.473 14.889 0.631 1.00 17.24 C ATOM 1069 CZ PHE A 114 -31.399 14.675 -0.218 1.00 15.50 C ATOM 1070 H PHE A 114 -36.643 12.880 1.310 1.00 0.00 H ATOM 1071 N THR A 115 -38.375 12.151 -1.806 1.00 15.17 N ATOM 1072 CA THR A 115 -39.431 11.246 -2.251 1.00 16.80 C ATOM 1073 C THR A 115 -39.055 10.344 -3.416 1.00 13.81 C ATOM 1074 O THR A 115 -39.264 9.124 -3.374 1.00 15.25 O ATOM 1075 CB THR A 115 -40.705 12.039 -2.638 1.00 17.04 C ATOM 1076 OG1 THR A 115 -41.120 12.817 -1.511 1.00 24.24 O ATOM 1077 CG2 THR A 115 -41.839 11.084 -3.052 1.00 20.81 C ATOM 1078 HG1 THR A 115 -41.934 13.329 -1.746 1.00 0.00 H ATOM 1079 H THR A 115 -38.579 13.169 -1.752 1.00 0.00 H ATOM 1080 N ASN A 116 -38.489 10.917 -4.473 1.00 13.24 N ATOM 1081 CA ASN A 116 -38.196 10.117 -5.633 1.00 14.40 C ATOM 1082 C ASN A 116 -37.034 9.140 -5.377 1.00 12.17 C ATOM 1083 O ASN A 116 -37.087 7.997 -5.810 1.00 14.04 O ATOM 1084 CB ASN A 116 -37.964 11.020 -6.852 1.00 14.53 C ATOM 1085 CG ASN A 116 -39.187 11.894 -7.146 1.00 29.69 C ATOM 1086 OD1 ASN A 116 -40.322 11.406 -7.112 1.00 27.50 O ATOM 1087 ND2 ASN A 116 -38.968 13.194 -7.381 1.00 21.28 N ATOM 1088 HD22 ASN A 116 -37.996 13.562 -7.401 1.00 0.00 H ATOM 1089 HD21 ASN A 116 -39.770 13.835 -7.544 1.00 0.00 H ATOM 1090 H ASN A 116 -38.260 11.932 -4.462 1.00 0.00 H ATOM 1091 N SER A 117 -36.008 9.582 -4.645 1.00 11.74 N ATOM 1092 CA SER A 117 -34.911 8.682 -4.301 1.00 11.26 C ATOM 1093 C SER A 117 -35.391 7.533 -3.437 1.00 10.10 C ATOM 1094 O SER A 117 -34.955 6.385 -3.629 1.00 10.99 O ATOM 1095 CB SER A 117 -33.806 9.407 -3.533 1.00 12.64 C ATOM 1096 OG SER A 117 -33.078 10.262 -4.414 1.00 20.75 O ATOM 1097 HG SER A 117 -33.694 10.930 -4.807 1.00 0.00 H ATOM 1098 H SER A 117 -35.990 10.570 -4.319 1.00 0.00 H ATOM 1099 N LEU A 118 -36.253 7.839 -2.476 1.00 10.63 N ATOM 1100 CA LEU A 118 -36.776 6.792 -1.583 1.00 10.30 C ATOM 1101 C LEU A 118 -37.526 5.743 -2.386 1.00 11.22 C ATOM 1102 O LEU A 118 -37.380 4.543 -2.114 1.00 12.32 O ATOM 1103 CB LEU A 118 -37.708 7.397 -0.539 1.00 11.60 C ATOM 1104 CG LEU A 118 -36.983 8.232 0.523 1.00 12.09 C ATOM 1105 CD1 LEU A 118 -37.979 9.063 1.302 1.00 14.33 C ATOM 1106 CD2 LEU A 118 -36.180 7.340 1.488 1.00 14.24 C ATOM 1107 H LEU A 118 -36.561 8.825 -2.353 1.00 0.00 H ATOM 1108 N ARG A 119 -38.343 6.172 -3.345 1.00 10.74 N ATOM 1109 CA ARG A 119 -39.086 5.217 -4.170 1.00 12.16 C ATOM 1110 C ARG A 119 -38.100 4.344 -4.945 1.00 12.50 C ATOM 1111 O ARG A 119 -38.261 3.132 -5.035 1.00 12.23 O ATOM 1112 CB ARG A 119 -40.020 5.942 -5.155 1.00 14.91 C ATOM 1113 CG ARG A 119 -40.976 5.021 -5.931 1.00 17.26 C ATOM 1114 CD ARG A 119 -41.698 5.772 -7.073 1.00 25.89 C ATOM 1115 NE ARG A 119 -40.745 6.413 -7.981 1.00 30.48 N ATOM 1116 CZ ARG A 119 -40.478 7.716 -7.995 1.00 25.59 C ATOM 1117 NH1 ARG A 119 -41.113 8.537 -7.168 1.00 30.05 N ATOM 1118 NH2 ARG A 119 -39.580 8.201 -8.843 1.00 28.19 N ATOM 1119 HE ARG A 119 -40.242 5.808 -8.662 1.00 0.00 H ATOM 1120 HH12 ARG A 119 -40.901 9.555 -7.182 1.00 0.00 H ATOM 1121 HH11 ARG A 119 -41.822 8.162 -6.506 1.00 0.00 H ATOM 1122 HH22 ARG A 119 -39.372 9.220 -8.853 1.00 0.00 H ATOM 1123 HH21 ARG A 119 -39.084 7.562 -9.497 1.00 0.00 H ATOM 1124 H ARG A 119 -38.455 7.193 -3.510 1.00 0.00 H ATOM 1125 N MET A 120 -37.075 4.954 -5.530 1.00 10.30 N ATOM 1126 CA MET A 120 -36.135 4.173 -6.315 1.00 10.69 C ATOM 1127 C MET A 120 -35.377 3.185 -5.445 1.00 10.03 C ATOM 1128 O MET A 120 -35.106 2.058 -5.864 1.00 10.98 O ATOM 1129 CB MET A 120 -35.150 5.070 -7.055 1.00 11.13 C ATOM 1130 CG MET A 120 -35.860 5.971 -8.036 1.00 13.50 C ATOM 1131 SD MET A 120 -34.693 7.154 -8.740 1.00 15.40 S ATOM 1132 CE MET A 120 -35.806 8.292 -9.569 1.00 21.87 C ATOM 1133 H MET A 120 -36.947 5.981 -5.427 1.00 0.00 H ATOM 1134 N LEU A 121 -35.039 3.601 -4.222 1.00 9.47 N ATOM 1135 CA LEU A 121 -34.400 2.675 -3.295 1.00 10.23 C ATOM 1136 C LEU A 121 -35.322 1.514 -2.940 1.00 10.86 C ATOM 1137 O LEU A 121 -34.865 0.361 -2.926 1.00 10.75 O ATOM 1138 CB LEU A 121 -33.922 3.420 -2.015 1.00 8.64 C ATOM 1139 CG LEU A 121 -32.748 4.385 -2.211 1.00 9.72 C ATOM 1140 CD1 LEU A 121 -32.564 5.183 -0.897 1.00 10.86 C ATOM 1141 CD2 LEU A 121 -31.429 3.682 -2.587 1.00 11.47 C ATOM 1142 H LEU A 121 -35.231 4.581 -3.932 1.00 0.00 H ATOM 1143 N GLN A 122 -36.591 1.816 -2.645 1.00 8.96 N ATOM 1144 CA GLN A 122 -37.547 0.731 -2.325 1.00 11.61 C ATOM 1145 C GLN A 122 -37.682 -0.235 -3.496 1.00 12.20 C ATOM 1146 O GLN A 122 -37.834 -1.448 -3.278 1.00 13.34 O ATOM 1147 CB GLN A 122 -38.905 1.273 -1.899 1.00 15.33 C ATOM 1148 CG GLN A 122 -39.798 0.118 -1.366 1.00 20.49 C ATOM 1149 CD GLN A 122 -40.827 0.527 -0.343 1.00 22.32 C ATOM 1150 OE1 GLN A 122 -40.846 1.660 0.121 1.00 24.99 O ATOM 1151 NE2 GLN A 122 -41.699 -0.412 0.017 1.00 28.63 N ATOM 1152 HE22 GLN A 122 -41.644 -1.361 -0.404 1.00 0.00 H ATOM 1153 HE21 GLN A 122 -42.435 -0.196 0.719 1.00 0.00 H ATOM 1154 H GLN A 122 -36.905 2.807 -2.640 1.00 0.00 H ATOM 1155 N GLN A 123 -37.598 0.293 -4.716 1.00 11.47 N ATOM 1156 CA GLN A 123 -37.730 -0.544 -5.918 1.00 10.25 C ATOM 1157 C GLN A 123 -36.419 -1.256 -6.290 1.00 11.40 C ATOM 1158 O GLN A 123 -36.363 -1.994 -7.289 1.00 13.07 O ATOM 1159 CB GLN A 123 -38.153 0.324 -7.103 1.00 12.93 C ATOM 1160 CG GLN A 123 -39.564 0.866 -7.060 1.00 17.36 C ATOM 1161 CD GLN A 123 -39.801 1.832 -8.234 1.00 17.11 C ATOM 1162 OE1 GLN A 123 -38.931 2.645 -8.567 1.00 20.47 O ATOM 1163 NE2 GLN A 123 -40.960 1.744 -8.852 1.00 37.76 N ATOM 1164 HE22 GLN A 123 -41.664 1.046 -8.539 1.00 0.00 H ATOM 1165 HE21 GLN A 123 -41.171 2.373 -9.653 1.00 0.00 H ATOM 1166 H GLN A 123 -37.436 1.315 -4.820 1.00 0.00 H ATOM 1167 N LYS A 124 -35.344 -1.004 -5.538 1.00 10.74 N ATOM 1168 CA LYS A 124 -34.024 -1.565 -5.806 1.00 10.90 C ATOM 1169 C LYS A 124 -33.455 -1.190 -7.160 1.00 9.32 C ATOM 1170 O LYS A 124 -32.703 -1.950 -7.762 1.00 10.64 O ATOM 1171 CB LYS A 124 -34.006 -3.088 -5.577 1.00 10.83 C ATOM 1172 CG LYS A 124 -34.473 -3.427 -4.149 1.00 11.23 C ATOM 1173 CD LYS A 124 -34.075 -4.874 -3.781 1.00 13.89 C ATOM 1174 CE LYS A 124 -34.571 -5.234 -2.397 1.00 12.96 C ATOM 1175 NZ LYS A 124 -33.971 -4.316 -1.347 1.00 12.72 N ATOM 1176 HZ1 LYS A 124 -32.935 -4.403 -1.363 1.00 0.00 H ATOM 1177 HZ2 LYS A 124 -34.241 -3.333 -1.553 1.00 0.00 H ATOM 1178 HZ3 LYS A 124 -34.328 -4.585 -0.408 1.00 0.00 H ATOM 1179 H LYS A 124 -35.454 -0.374 -4.718 1.00 0.00 H ATOM 1180 N ARG A 125 -33.792 0.025 -7.578 1.00 10.06 N ATOM 1181 CA ARG A 125 -33.238 0.585 -8.808 1.00 9.81 C ATOM 1182 C ARG A 125 -32.018 1.413 -8.411 1.00 9.27 C ATOM 1183 O ARG A 125 -32.058 2.652 -8.312 1.00 10.93 O ATOM 1184 CB ARG A 125 -34.302 1.391 -9.549 1.00 11.90 C ATOM 1185 CG ARG A 125 -35.363 0.490 -10.193 1.00 12.58 C ATOM 1186 CD ARG A 125 -36.551 1.295 -10.696 1.00 15.10 C ATOM 1187 NE ARG A 125 -37.621 0.447 -11.216 1.00 19.92 N ATOM 1188 HE ARG A 125 -37.513 -0.587 -11.211 1.00 0.00 H ATOM 1189 H ARG A 125 -34.463 0.589 -7.018 1.00 0.00 H ATOM 1190 N TRP A 126 -30.916 0.710 -8.174 1.00 9.13 N ATOM 1191 CA TRP A 126 -29.805 1.340 -7.455 1.00 9.03 C ATOM 1192 C TRP A 126 -29.093 2.428 -8.217 1.00 9.72 C ATOM 1193 O TRP A 126 -28.754 3.460 -7.631 1.00 11.16 O ATOM 1194 CB TRP A 126 -28.802 0.289 -6.997 1.00 9.41 C ATOM 1195 CG TRP A 126 -29.385 -0.871 -6.239 1.00 10.06 C ATOM 1196 CD1 TRP A 126 -29.256 -2.207 -6.558 1.00 10.56 C ATOM 1197 CD2 TRP A 126 -30.154 -0.828 -5.012 1.00 8.67 C ATOM 1198 NE1 TRP A 126 -29.895 -2.978 -5.618 1.00 10.63 N ATOM 1199 CE2 TRP A 126 -30.461 -2.167 -4.664 1.00 9.55 C ATOM 1200 CE3 TRP A 126 -30.619 0.202 -4.193 1.00 9.45 C ATOM 1201 CZ2 TRP A 126 -31.170 -2.503 -3.521 1.00 10.91 C ATOM 1202 CZ3 TRP A 126 -31.352 -0.129 -3.070 1.00 9.96 C ATOM 1203 CH2 TRP A 126 -31.639 -1.477 -2.739 1.00 10.45 C ATOM 1204 HE1 TRP A 126 -29.943 -4.017 -5.627 1.00 0.00 H ATOM 1205 H TRP A 126 -30.842 -0.276 -8.495 1.00 0.00 H ATOM 1206 N ASP A 127 -28.829 2.198 -9.502 1.00 10.84 N ATOM 1207 CA ASP A 127 -28.135 3.231 -10.255 1.00 9.72 C ATOM 1208 C ASP A 127 -29.019 4.449 -10.429 1.00 11.00 C ATOM 1209 O ASP A 127 -28.529 5.592 -10.337 1.00 11.46 O ATOM 1210 CB ASP A 127 -27.711 2.727 -11.641 1.00 11.86 C ATOM 1211 CG ASP A 127 -26.495 1.802 -11.599 1.00 19.95 C ATOM 1212 OD1 ASP A 127 -26.117 1.291 -10.524 1.00 21.66 O ATOM 1213 OD2 ASP A 127 -25.932 1.506 -12.686 1.00 22.45 O ATOM 1214 H ASP A 127 -29.111 1.305 -9.954 1.00 0.00 H ATOM 1215 N GLU A 128 -30.313 4.234 -10.647 1.00 11.40 N ATOM 1216 CA GLU A 128 -31.212 5.373 -10.764 1.00 12.46 C ATOM 1217 C GLU A 128 -31.288 6.135 -9.448 1.00 12.06 C ATOM 1218 O GLU A 128 -31.317 7.373 -9.454 1.00 11.82 O ATOM 1219 CB GLU A 128 -32.610 4.913 -11.164 1.00 15.53 C ATOM 1220 CG GLU A 128 -32.648 4.349 -12.583 1.00 20.20 C ATOM 1221 CD GLU A 128 -34.041 3.890 -12.936 1.00 23.65 C ATOM 1222 OE1 GLU A 128 -34.825 4.713 -13.454 1.00 31.20 O ATOM 1223 OE2 GLU A 128 -34.368 2.717 -12.662 1.00 24.17 O ATOM 1224 H GLU A 128 -30.678 3.264 -10.733 1.00 0.00 H ATOM 1225 N ALA A 129 -31.363 5.409 -8.329 1.00 9.74 N ATOM 1226 CA ALA A 129 -31.395 6.074 -7.022 1.00 9.87 C ATOM 1227 C ALA A 129 -30.151 6.904 -6.832 1.00 10.55 C ATOM 1228 O ALA A 129 -30.238 8.034 -6.336 1.00 10.45 O ATOM 1229 CB ALA A 129 -31.467 5.040 -5.916 1.00 10.37 C ATOM 1230 H ALA A 129 -31.399 4.371 -8.385 1.00 0.00 H ATOM 1231 N ALA A 130 -29.006 6.339 -7.206 1.00 9.06 N ATOM 1232 CA ALA A 130 -27.749 7.033 -7.011 1.00 10.78 C ATOM 1233 C ALA A 130 -27.722 8.333 -7.816 1.00 12.30 C ATOM 1234 O ALA A 130 -27.281 9.367 -7.302 1.00 11.99 O ATOM 1235 CB ALA A 130 -26.598 6.132 -7.397 1.00 14.52 C ATOM 1236 H ALA A 130 -29.013 5.394 -7.641 1.00 0.00 H ATOM 1237 N VAL A 131 -28.210 8.291 -9.064 1.00 9.70 N ATOM 1238 CA VAL A 131 -28.255 9.504 -9.881 1.00 11.06 C ATOM 1239 C VAL A 131 -29.194 10.513 -9.232 1.00 12.72 C ATOM 1240 O VAL A 131 -28.874 11.698 -9.117 1.00 13.39 O ATOM 1241 CB VAL A 131 -28.721 9.174 -11.307 1.00 12.24 C ATOM 1242 CG1 VAL A 131 -29.054 10.451 -12.077 1.00 17.06 C ATOM 1243 CG2 VAL A 131 -27.636 8.386 -12.017 1.00 15.82 C ATOM 1244 H VAL A 131 -28.558 7.392 -9.453 1.00 0.00 H ATOM 1245 N ASN A 132 -30.354 10.062 -8.774 1.00 9.79 N ATOM 1246 CA ASN A 132 -31.290 11.006 -8.176 1.00 9.18 C ATOM 1247 C ASN A 132 -30.783 11.638 -6.883 1.00 10.67 C ATOM 1248 O ASN A 132 -30.997 12.812 -6.645 1.00 11.34 O ATOM 1249 CB ASN A 132 -32.649 10.319 -7.961 1.00 11.16 C ATOM 1250 CG ASN A 132 -33.726 11.289 -7.538 1.00 13.80 C ATOM 1251 OD1 ASN A 132 -34.011 11.487 -6.341 1.00 15.04 O ATOM 1252 ND2 ASN A 132 -34.314 11.951 -8.529 1.00 15.72 N ATOM 1253 HD22 ASN A 132 -34.047 11.756 -9.515 1.00 0.00 H ATOM 1254 HD21 ASN A 132 -35.041 12.664 -8.318 1.00 0.00 H ATOM 1255 H ASN A 132 -30.592 9.052 -8.840 1.00 0.00 H ATOM 1256 N LEU A 133 -30.123 10.829 -6.051 1.00 9.82 N ATOM 1257 CA LEU A 133 -29.618 11.305 -4.764 1.00 9.73 C ATOM 1258 C LEU A 133 -28.620 12.418 -4.954 1.00 11.56 C ATOM 1259 O LEU A 133 -28.538 13.301 -4.089 1.00 12.22 O ATOM 1260 CB LEU A 133 -28.981 10.150 -3.964 1.00 10.25 C ATOM 1261 CG LEU A 133 -29.943 9.177 -3.280 1.00 9.93 C ATOM 1262 CD1 LEU A 133 -29.214 7.873 -2.962 1.00 9.87 C ATOM 1263 CD2 LEU A 133 -30.534 9.764 -2.002 1.00 12.27 C ATOM 1264 H LEU A 133 -29.965 9.838 -6.324 1.00 0.00 H ATOM 1265 N ALA A 134 -27.858 12.367 -6.046 1.00 10.28 N ATOM 1266 CA ALA A 134 -26.842 13.390 -6.318 1.00 11.26 C ATOM 1267 C ALA A 134 -27.415 14.717 -6.808 1.00 11.68 C ATOM 1268 O ALA A 134 -26.683 15.725 -6.802 1.00 13.42 O ATOM 1269 CB ALA A 134 -25.778 12.857 -7.287 1.00 12.62 C ATOM 1270 H ALA A 134 -27.986 11.585 -6.720 1.00 0.00 H ATOM 1271 N LYS A 135 -28.682 14.724 -7.212 1.00 10.84 N ATOM 1272 CA LYS A 135 -29.357 15.964 -7.644 1.00 11.45 C ATOM 1273 C LYS A 135 -29.892 16.692 -6.413 1.00 10.69 C ATOM 1274 O LYS A 135 -31.094 16.791 -6.200 1.00 12.16 O ATOM 1275 CB LYS A 135 -30.486 15.651 -8.633 1.00 11.68 C ATOM 1276 CG LYS A 135 -29.953 15.050 -9.901 1.00 14.35 C ATOM 1277 CD LYS A 135 -31.092 14.664 -10.827 1.00 19.41 C ATOM 1278 CE LYS A 135 -30.583 13.829 -11.985 1.00 27.57 C ATOM 1279 NZ LYS A 135 -31.721 13.512 -12.899 1.00 26.15 N ATOM 1280 HZ1 LYS A 135 -32.446 12.980 -12.376 1.00 0.00 H ATOM 1281 HZ2 LYS A 135 -32.131 14.397 -13.260 1.00 0.00 H ATOM 1282 HZ3 LYS A 135 -31.375 12.939 -13.695 1.00 0.00 H ATOM 1283 H LYS A 135 -29.213 13.830 -7.224 1.00 0.00 H ATOM 1284 N SER A 136 -28.983 17.137 -5.562 1.00 9.72 N ATOM 1285 CA SER A 136 -29.398 17.617 -4.240 1.00 8.18 C ATOM 1286 C SER A 136 -28.431 18.644 -3.693 1.00 9.54 C ATOM 1287 O SER A 136 -27.234 18.603 -3.997 1.00 9.39 O ATOM 1288 CB SER A 136 -29.473 16.447 -3.221 1.00 9.86 C ATOM 1289 OG SER A 136 -28.198 15.820 -3.071 1.00 10.30 O ATOM 1290 HG SER A 136 -27.902 15.463 -3.946 1.00 0.00 H ATOM 1291 H SER A 136 -27.978 17.147 -5.829 1.00 0.00 H ATOM 1292 N ARG A 137 -28.938 19.540 -2.848 1.00 8.79 N ATOM 1293 CA ARG A 137 -28.049 20.428 -2.117 1.00 8.58 C ATOM 1294 C ARG A 137 -27.063 19.615 -1.295 1.00 9.48 C ATOM 1295 O ARG A 137 -25.864 19.949 -1.214 1.00 11.67 O ATOM 1296 CB ARG A 137 -28.845 21.374 -1.213 1.00 9.54 C ATOM 1297 CG ARG A 137 -27.875 22.305 -0.421 1.00 13.10 C ATOM 1298 CD ARG A 137 -28.577 23.288 0.493 1.00 16.72 C ATOM 1299 NE ARG A 137 -27.616 24.228 1.089 1.00 17.53 N ATOM 1300 CZ ARG A 137 -26.854 23.961 2.152 1.00 18.49 C ATOM 1301 NH1 ARG A 137 -26.918 22.792 2.767 1.00 19.80 N ATOM 1302 NH2 ARG A 137 -26.012 24.888 2.598 1.00 21.79 N ATOM 1303 HE ARG A 137 -27.523 25.167 0.652 1.00 0.00 H ATOM 1304 HH12 ARG A 137 -26.315 22.606 3.594 1.00 0.00 H ATOM 1305 HH11 ARG A 137 -27.571 22.059 2.424 1.00 0.00 H ATOM 1306 HH22 ARG A 137 -25.413 24.692 3.425 1.00 0.00 H ATOM 1307 HH21 ARG A 137 -25.952 25.809 2.120 1.00 0.00 H ATOM 1308 H ARG A 137 -29.967 19.604 -2.712 1.00 0.00 H ATOM 1309 N TRP A 138 -27.546 18.518 -0.699 1.00 9.35 N ATOM 1310 CA TRP A 138 -26.677 17.644 0.066 1.00 9.98 C ATOM 1311 C TRP A 138 -25.415 17.267 -0.702 1.00 11.06 C ATOM 1312 O TRP A 138 -24.284 17.414 -0.198 1.00 12.31 O ATOM 1313 CB TRP A 138 -27.483 16.384 0.378 1.00 9.95 C ATOM 1314 CG TRP A 138 -26.731 15.268 1.009 1.00 9.03 C ATOM 1315 CD1 TRP A 138 -25.990 15.323 2.173 1.00 12.24 C ATOM 1316 CD2 TRP A 138 -26.715 13.908 0.579 1.00 8.60 C ATOM 1317 NE1 TRP A 138 -25.507 14.056 2.476 1.00 11.68 N ATOM 1318 CE2 TRP A 138 -25.948 13.175 1.525 1.00 8.37 C ATOM 1319 CE3 TRP A 138 -27.284 13.226 -0.502 1.00 9.69 C ATOM 1320 CZ2 TRP A 138 -25.725 11.818 1.417 1.00 9.38 C ATOM 1321 CZ3 TRP A 138 -27.070 11.848 -0.605 1.00 11.32 C ATOM 1322 CH2 TRP A 138 -26.285 11.161 0.352 1.00 11.10 C ATOM 1323 HE1 TRP A 138 -24.908 13.816 3.292 1.00 0.00 H ATOM 1324 H TRP A 138 -28.557 18.289 -0.785 1.00 0.00 H ATOM 1325 N TYR A 139 -25.577 16.762 -1.909 1.00 9.45 N ATOM 1326 CA TYR A 139 -24.434 16.322 -2.678 1.00 8.54 C ATOM 1327 C TYR A 139 -23.543 17.516 -3.033 1.00 11.49 C ATOM 1328 O TYR A 139 -22.301 17.430 -2.949 1.00 13.34 O ATOM 1329 CB TYR A 139 -24.927 15.615 -3.939 1.00 12.25 C ATOM 1330 CG TYR A 139 -23.877 15.191 -4.921 1.00 12.34 C ATOM 1331 CD1 TYR A 139 -23.263 13.954 -4.821 1.00 15.22 C ATOM 1332 CD2 TYR A 139 -23.552 16.016 -5.984 1.00 18.94 C ATOM 1333 CE1 TYR A 139 -22.324 13.556 -5.766 1.00 18.88 C ATOM 1334 CE2 TYR A 139 -22.622 15.633 -6.928 1.00 25.02 C ATOM 1335 CZ TYR A 139 -22.015 14.401 -6.810 1.00 26.38 C ATOM 1336 OH TYR A 139 -21.074 14.023 -7.753 1.00 41.59 O ATOM 1337 HH TYR A 139 -20.732 13.120 -7.533 1.00 0.00 H ATOM 1338 H TYR A 139 -26.533 16.680 -2.311 1.00 0.00 H ATOM 1339 N ASN A 140 -24.155 18.629 -3.443 1.00 9.45 N ATOM 1340 CA ASN A 140 -23.337 19.743 -3.864 1.00 10.94 C ATOM 1341 C ASN A 140 -22.553 20.393 -2.715 1.00 11.92 C ATOM 1342 O ASN A 140 -21.408 20.857 -2.909 1.00 13.99 O ATOM 1343 CB ASN A 140 -24.197 20.783 -4.584 1.00 12.05 C ATOM 1344 CG ASN A 140 -24.582 20.323 -5.965 1.00 15.24 C ATOM 1345 OD1 ASN A 140 -25.704 19.864 -6.227 1.00 18.24 O ATOM 1346 ND2 ASN A 140 -23.619 20.399 -6.873 1.00 17.11 N ATOM 1347 HD22 ASN A 140 -22.691 20.790 -6.615 1.00 0.00 H ATOM 1348 HD21 ASN A 140 -23.792 20.067 -7.843 1.00 0.00 H ATOM 1349 H ASN A 140 -25.193 18.693 -3.459 1.00 0.00 H ATOM 1350 N GLN A 141 -23.125 20.394 -1.513 1.00 8.33 N ATOM 1351 CA GLN A 141 -22.451 21.036 -0.385 1.00 8.31 C ATOM 1352 C GLN A 141 -21.447 20.121 0.309 1.00 11.58 C ATOM 1353 O GLN A 141 -20.430 20.594 0.840 1.00 13.79 O ATOM 1354 CB GLN A 141 -23.466 21.554 0.630 1.00 12.16 C ATOM 1355 CG GLN A 141 -24.430 22.587 0.061 1.00 14.81 C ATOM 1356 CD GLN A 141 -23.749 23.853 -0.470 1.00 13.29 C ATOM 1357 OE1 GLN A 141 -23.989 24.249 -1.622 1.00 17.92 O ATOM 1358 NE2 GLN A 141 -22.852 24.429 0.334 1.00 17.61 N ATOM 1359 HE22 GLN A 141 -22.694 24.053 1.290 1.00 0.00 H ATOM 1360 HE21 GLN A 141 -22.312 25.254 0.004 1.00 0.00 H ATOM 1361 H GLN A 141 -24.050 19.939 -1.376 1.00 0.00 H ATOM 1362 N THR A 142 -21.726 18.818 0.355 1.00 10.11 N ATOM 1363 CA THR A 142 -20.785 17.865 0.967 1.00 11.26 C ATOM 1364 C THR A 142 -20.578 16.714 -0.012 1.00 11.92 C ATOM 1365 O THR A 142 -21.028 15.571 0.217 1.00 10.58 O ATOM 1366 CB THR A 142 -21.227 17.328 2.383 1.00 11.30 C ATOM 1367 OG1 THR A 142 -22.561 16.799 2.313 1.00 13.59 O ATOM 1368 CG2 THR A 142 -21.222 18.433 3.434 1.00 12.07 C ATOM 1369 HG1 THR A 142 -23.183 17.513 2.026 1.00 0.00 H ATOM 1370 H THR A 142 -22.620 18.470 -0.047 1.00 0.00 H ATOM 1371 N PRO A 143 -19.872 16.974 -1.111 1.00 9.72 N ATOM 1372 CA PRO A 143 -19.845 15.956 -2.169 1.00 8.94 C ATOM 1373 C PRO A 143 -19.020 14.737 -1.810 1.00 10.10 C ATOM 1374 O PRO A 143 -19.393 13.630 -2.197 1.00 10.26 O ATOM 1375 CB PRO A 143 -19.241 16.691 -3.383 1.00 10.57 C ATOM 1376 CG PRO A 143 -18.526 17.864 -2.772 1.00 10.55 C ATOM 1377 CD PRO A 143 -19.353 18.273 -1.585 1.00 10.05 C ATOM 1378 N ASN A 144 -17.909 14.884 -1.102 1.00 9.89 N ATOM 1379 CA ASN A 144 -17.131 13.674 -0.820 1.00 10.59 C ATOM 1380 C ASN A 144 -17.890 12.709 0.096 1.00 8.57 C ATOM 1381 O ASN A 144 -17.883 11.497 -0.147 1.00 10.12 O ATOM 1382 CB ASN A 144 -15.769 14.016 -0.225 1.00 11.33 C ATOM 1383 CG ASN A 144 -14.825 14.617 -1.265 1.00 16.00 C ATOM 1384 OD1 ASN A 144 -15.135 14.642 -2.454 1.00 22.70 O ATOM 1385 ND2 ASN A 144 -13.655 15.026 -0.826 1.00 18.94 N ATOM 1386 HD22 ASN A 144 -13.438 14.986 0.190 1.00 0.00 H ATOM 1387 HD21 ASN A 144 -12.947 15.390 -1.495 1.00 0.00 H ATOM 1388 H ASN A 144 -17.603 15.818 -0.761 1.00 0.00 H ATOM 1389 N ARG A 145 -18.547 13.262 1.107 1.00 8.42 N ATOM 1390 CA ARG A 145 -19.332 12.416 2.001 1.00 8.88 C ATOM 1391 C ARG A 145 -20.550 11.870 1.267 1.00 9.47 C ATOM 1392 O ARG A 145 -20.859 10.672 1.394 1.00 9.46 O ATOM 1393 CB ARG A 145 -19.782 13.184 3.224 1.00 10.16 C ATOM 1394 CG ARG A 145 -20.403 12.213 4.231 1.00 15.20 C ATOM 1395 CD ARG A 145 -21.443 12.887 4.893 1.00 20.27 C ATOM 1396 NE ARG A 145 -22.050 12.106 5.963 1.00 12.68 N ATOM 1397 CZ ARG A 145 -22.159 12.591 7.180 1.00 12.04 C ATOM 1398 NH1 ARG A 145 -21.663 13.800 7.487 1.00 16.30 N ATOM 1399 NH2 ARG A 145 -22.815 11.902 8.093 1.00 10.91 N ATOM 1400 HE ARG A 145 -22.403 11.149 5.761 1.00 0.00 H ATOM 1401 HH12 ARG A 145 -21.757 14.170 8.454 1.00 0.00 H ATOM 1402 HH11 ARG A 145 -21.185 14.366 6.758 1.00 0.00 H ATOM 1403 HH22 ARG A 145 -22.908 12.276 9.059 1.00 0.00 H ATOM 1404 HH21 ARG A 145 -23.240 10.985 7.847 1.00 0.00 H ATOM 1405 H ARG A 145 -18.503 14.290 1.261 1.00 0.00 H ATOM 1406 N ALA A 146 -21.255 12.720 0.516 1.00 8.80 N ATOM 1407 CA ALA A 146 -22.425 12.229 -0.207 1.00 8.81 C ATOM 1408 C ALA A 146 -22.034 11.151 -1.179 1.00 9.79 C ATOM 1409 O ALA A 146 -22.753 10.145 -1.305 1.00 11.13 O ATOM 1410 CB ALA A 146 -23.183 13.373 -0.950 1.00 10.64 C ATOM 1411 H ALA A 146 -20.974 13.719 0.447 1.00 0.00 H ATOM 1412 N LYS A 147 -20.906 11.316 -1.877 1.00 9.35 N ATOM 1413 CA LYS A 147 -20.464 10.280 -2.808 1.00 9.74 C ATOM 1414 C LYS A 147 -20.243 8.953 -2.086 1.00 9.19 C ATOM 1415 O LYS A 147 -20.573 7.892 -2.638 1.00 10.60 O ATOM 1416 CB LYS A 147 -19.182 10.692 -3.556 1.00 11.55 C ATOM 1417 CG LYS A 147 -19.384 11.732 -4.658 1.00 14.82 C ATOM 1418 CD LYS A 147 -18.021 12.187 -5.217 1.00 20.88 C ATOM 1419 CE LYS A 147 -18.176 13.351 -6.194 1.00 23.76 C ATOM 1420 H LYS A 147 -20.343 12.182 -1.757 1.00 0.00 H ATOM 1421 N ARG A 148 -19.696 8.983 -0.867 1.00 9.28 N ATOM 1422 CA ARG A 148 -19.492 7.712 -0.135 1.00 8.19 C ATOM 1423 C ARG A 148 -20.806 7.056 0.224 1.00 9.02 C ATOM 1424 O ARG A 148 -20.948 5.847 0.094 1.00 9.51 O ATOM 1425 CB ARG A 148 -18.668 7.894 1.137 1.00 7.47 C ATOM 1426 CG ARG A 148 -17.210 8.252 0.888 1.00 8.84 C ATOM 1427 CD ARG A 148 -16.392 8.145 2.189 1.00 9.25 C ATOM 1428 NE ARG A 148 -16.709 9.216 3.140 1.00 9.79 N ATOM 1429 CZ ARG A 148 -16.125 10.415 3.148 1.00 10.35 C ATOM 1430 NH1 ARG A 148 -15.204 10.730 2.213 1.00 12.18 N ATOM 1431 NH2 ARG A 148 -16.485 11.306 4.073 1.00 11.16 N ATOM 1432 HE ARG A 148 -17.439 9.028 3.857 1.00 0.00 H ATOM 1433 HH12 ARG A 148 -14.751 11.666 2.224 1.00 0.00 H ATOM 1434 HH11 ARG A 148 -14.947 10.036 1.482 1.00 0.00 H ATOM 1435 HH22 ARG A 148 -16.039 12.245 4.092 1.00 0.00 H ATOM 1436 HH21 ARG A 148 -17.212 11.062 4.775 1.00 0.00 H ATOM 1437 H ARG A 148 -19.417 9.888 -0.438 1.00 0.00 H ATOM 1438 N VAL A 149 -21.741 7.863 0.693 1.00 9.50 N ATOM 1439 CA VAL A 149 -23.035 7.332 1.118 1.00 8.37 C ATOM 1440 C VAL A 149 -23.768 6.817 -0.130 1.00 9.51 C ATOM 1441 O VAL A 149 -24.334 5.718 -0.111 1.00 8.99 O ATOM 1442 CB VAL A 149 -23.831 8.425 1.817 1.00 7.77 C ATOM 1443 CG1 VAL A 149 -25.294 7.952 2.088 1.00 10.72 C ATOM 1444 CG2 VAL A 149 -23.123 8.772 3.136 1.00 9.23 C ATOM 1445 H VAL A 149 -21.555 8.884 0.760 1.00 0.00 H ATOM 1446 N ILE A 150 -23.719 7.571 -1.224 1.00 8.85 N ATOM 1447 CA ILE A 150 -24.377 7.134 -2.461 1.00 7.78 C ATOM 1448 C ILE A 150 -23.768 5.855 -3.009 1.00 10.48 C ATOM 1449 O ILE A 150 -24.495 4.967 -3.473 1.00 10.59 O ATOM 1450 CB ILE A 150 -24.378 8.264 -3.529 1.00 9.11 C ATOM 1451 CG1 ILE A 150 -25.263 9.405 -3.041 1.00 10.75 C ATOM 1452 CG2 ILE A 150 -24.881 7.738 -4.887 1.00 12.20 C ATOM 1453 CD1 ILE A 150 -25.158 10.684 -3.904 1.00 10.73 C ATOM 1454 H ILE A 150 -23.210 8.478 -1.203 1.00 0.00 H ATOM 1455 N THR A 151 -22.440 5.730 -2.966 1.00 10.86 N ATOM 1456 CA THR A 151 -21.811 4.494 -3.455 1.00 10.52 C ATOM 1457 C THR A 151 -22.277 3.321 -2.611 1.00 11.49 C ATOM 1458 O THR A 151 -22.444 2.198 -3.119 1.00 11.34 O ATOM 1459 CB THR A 151 -20.294 4.607 -3.395 1.00 11.50 C ATOM 1460 OG1 THR A 151 -19.906 5.508 -4.437 1.00 15.21 O ATOM 1461 CG2 THR A 151 -19.604 3.247 -3.643 1.00 13.51 C ATOM 1462 HG1 THR A 151 -18.921 5.610 -4.433 1.00 0.00 H ATOM 1463 H THR A 151 -21.854 6.502 -2.589 1.00 0.00 H ATOM 1464 N THR A 152 -22.481 3.559 -1.325 1.00 9.58 N ATOM 1465 CA THR A 152 -22.964 2.522 -0.427 1.00 9.75 C ATOM 1466 C THR A 152 -24.386 2.097 -0.814 1.00 11.73 C ATOM 1467 O THR A 152 -24.679 0.889 -0.849 1.00 11.16 O ATOM 1468 CB THR A 152 -22.891 2.970 1.054 1.00 8.01 C ATOM 1469 OG1 THR A 152 -21.567 3.469 1.319 1.00 9.50 O ATOM 1470 CG2 THR A 152 -23.179 1.809 1.964 1.00 11.46 C ATOM 1471 HG1 THR A 152 -21.380 4.238 0.724 1.00 0.00 H ATOM 1472 H THR A 152 -22.292 4.510 -0.948 1.00 0.00 H ATOM 1473 N PHE A 153 -25.264 3.061 -1.106 1.00 10.02 N ATOM 1474 CA PHE A 153 -26.583 2.701 -1.657 1.00 10.71 C ATOM 1475 C PHE A 153 -26.493 2.029 -3.022 1.00 12.61 C ATOM 1476 O PHE A 153 -27.307 1.136 -3.343 1.00 13.17 O ATOM 1477 CB PHE A 153 -27.466 3.956 -1.817 1.00 9.94 C ATOM 1478 CG PHE A 153 -28.119 4.443 -0.554 1.00 9.62 C ATOM 1479 CD1 PHE A 153 -28.957 3.598 0.192 1.00 9.76 C ATOM 1480 CD2 PHE A 153 -27.987 5.768 -0.153 1.00 10.75 C ATOM 1481 CE1 PHE A 153 -29.633 4.080 1.317 1.00 10.31 C ATOM 1482 CE2 PHE A 153 -28.647 6.258 0.992 1.00 10.93 C ATOM 1483 CZ PHE A 153 -29.471 5.388 1.729 1.00 8.86 C ATOM 1484 H PHE A 153 -25.018 4.059 -0.946 1.00 0.00 H ATOM 1485 N ARG A 154 -25.589 2.474 -3.884 1.00 9.73 N ATOM 1486 CA ARG A 154 -25.541 1.918 -5.234 1.00 12.08 C ATOM 1487 C ARG A 154 -25.117 0.465 -5.205 1.00 12.46 C ATOM 1488 O ARG A 154 -25.692 -0.367 -5.921 1.00 14.08 O ATOM 1489 CB ARG A 154 -24.582 2.714 -6.116 1.00 11.89 C ATOM 1490 CG ARG A 154 -24.513 2.172 -7.558 1.00 9.93 C ATOM 1491 CD ARG A 154 -23.628 3.039 -8.443 1.00 11.70 C ATOM 1492 NE ARG A 154 -22.241 3.119 -7.981 1.00 18.53 N ATOM 1493 CZ ARG A 154 -21.308 2.205 -8.234 1.00 19.53 C ATOM 1494 NH1 ARG A 154 -21.612 1.116 -8.936 1.00 19.56 N ATOM 1495 NH2 ARG A 154 -20.072 2.380 -7.778 1.00 24.35 N ATOM 1496 HE ARG A 154 -21.966 3.948 -7.416 1.00 0.00 H ATOM 1497 HH12 ARG A 154 -20.881 0.403 -9.132 1.00 0.00 H ATOM 1498 HH11 ARG A 154 -22.581 0.978 -9.288 1.00 0.00 H ATOM 1499 HH22 ARG A 154 -19.340 1.668 -7.974 1.00 0.00 H ATOM 1500 HH21 ARG A 154 -19.837 3.229 -7.225 1.00 0.00 H ATOM 1501 H ARG A 154 -24.917 3.215 -3.600 1.00 0.00 H ATOM 1502 N THR A 155 -24.121 0.153 -4.369 1.00 11.82 N ATOM 1503 CA THR A 155 -23.432 -1.153 -4.434 1.00 11.13 C ATOM 1504 C THR A 155 -23.810 -2.115 -3.337 1.00 12.79 C ATOM 1505 O THR A 155 -23.644 -3.332 -3.491 1.00 14.23 O ATOM 1506 CB THR A 155 -21.903 -1.007 -4.377 1.00 13.18 C ATOM 1507 OG1 THR A 155 -21.508 -0.480 -3.087 1.00 12.49 O ATOM 1508 CG2 THR A 155 -21.403 -0.065 -5.493 1.00 12.47 C ATOM 1509 HG1 THR A 155 -21.927 0.407 -2.952 1.00 0.00 H ATOM 1510 H THR A 155 -23.823 0.848 -3.654 1.00 0.00 H ATOM 1511 N GLY A 156 -24.254 -1.604 -2.202 1.00 11.00 N ATOM 1512 CA GLY A 156 -24.526 -2.470 -1.084 1.00 11.15 C ATOM 1513 C GLY A 156 -23.264 -3.047 -0.462 1.00 10.83 C ATOM 1514 O GLY A 156 -23.320 -4.090 0.210 1.00 12.73 O ATOM 1515 H GLY A 156 -24.407 -0.579 -2.116 1.00 0.00 H ATOM 1516 N THR A 157 -22.132 -2.380 -0.705 1.00 11.40 N ATOM 1517 CA THR A 157 -20.846 -2.782 -0.157 1.00 12.02 C ATOM 1518 C THR A 157 -20.249 -1.586 0.547 1.00 10.19 C ATOM 1519 O THR A 157 -20.737 -0.460 0.415 1.00 10.74 O ATOM 1520 CB THR A 157 -19.821 -3.153 -1.229 1.00 11.76 C ATOM 1521 OG1 THR A 157 -19.372 -1.977 -1.933 1.00 13.71 O ATOM 1522 CG2 THR A 157 -20.396 -4.180 -2.216 1.00 16.00 C ATOM 1523 HG1 THR A 157 -20.146 -1.538 -2.367 1.00 0.00 H ATOM 1524 H THR A 157 -22.172 -1.537 -1.312 1.00 0.00 H ATOM 1525 N TRP A 158 -19.185 -1.860 1.291 1.00 11.35 N ATOM 1526 CA TRP A 158 -18.457 -0.834 2.015 1.00 10.10 C ATOM 1527 C TRP A 158 -17.278 -0.297 1.203 1.00 11.24 C ATOM 1528 O TRP A 158 -16.365 0.316 1.770 1.00 12.71 O ATOM 1529 CB TRP A 158 -17.922 -1.427 3.321 1.00 11.06 C ATOM 1530 CG TRP A 158 -18.988 -1.715 4.302 1.00 10.24 C ATOM 1531 CD1 TRP A 158 -19.385 -2.941 4.752 1.00 11.29 C ATOM 1532 CD2 TRP A 158 -19.790 -0.749 5.000 1.00 10.47 C ATOM 1533 NE1 TRP A 158 -20.411 -2.802 5.670 1.00 12.15 N ATOM 1534 CE2 TRP A 158 -20.656 -1.466 5.863 1.00 10.44 C ATOM 1535 CE3 TRP A 158 -19.846 0.653 4.984 1.00 11.86 C ATOM 1536 CZ2 TRP A 158 -21.576 -0.836 6.694 1.00 11.59 C ATOM 1537 CZ3 TRP A 158 -20.748 1.283 5.809 1.00 13.14 C ATOM 1538 CH2 TRP A 158 -21.601 0.547 6.668 1.00 13.77 C ATOM 1539 HE1 TRP A 158 -20.914 -3.583 6.137 1.00 0.00 H ATOM 1540 H TRP A 158 -18.861 -2.846 1.358 1.00 0.00 H ATOM 1541 N ASP A 159 -17.278 -0.490 -0.105 1.00 12.94 N ATOM 1542 CA ASP A 159 -16.104 -0.102 -0.896 1.00 12.18 C ATOM 1543 C ASP A 159 -15.676 1.364 -0.740 1.00 15.27 C ATOM 1544 O ASP A 159 -14.476 1.682 -0.767 1.00 15.28 O ATOM 1545 CB ASP A 159 -16.338 -0.408 -2.356 1.00 16.20 C ATOM 1546 CG ASP A 159 -16.310 -1.907 -2.657 1.00 26.11 C ATOM 1547 OD1 ASP A 159 -16.052 -2.723 -1.742 1.00 26.42 O ATOM 1548 OD2 ASP A 159 -16.528 -2.263 -3.831 1.00 31.25 O ATOM 1549 H ASP A 159 -18.105 -0.914 -0.571 1.00 0.00 H ATOM 1550 N ALA A 160 -16.637 2.271 -0.582 1.00 10.95 N ATOM 1551 CA ALA A 160 -16.275 3.688 -0.448 1.00 13.56 C ATOM 1552 C ALA A 160 -15.592 4.011 0.873 1.00 15.35 C ATOM 1553 O ALA A 160 -14.970 5.077 0.980 1.00 19.29 O ATOM 1554 CB ALA A 160 -17.517 4.586 -0.616 1.00 13.87 C ATOM 1555 H ALA A 160 -17.635 1.979 -0.554 1.00 0.00 H ATOM 1556 N TYR A 161 -15.728 3.150 1.871 1.00 11.90 N ATOM 1557 CA TYR A 161 -15.154 3.402 3.197 1.00 12.98 C ATOM 1558 C TYR A 161 -13.884 2.595 3.433 1.00 23.12 C ATOM 1559 O TYR A 161 -13.190 2.820 4.424 1.00 24.89 O ATOM 1560 CB TYR A 161 -16.188 3.101 4.284 1.00 12.98 C ATOM 1561 CG TYR A 161 -17.259 4.167 4.315 1.00 11.12 C ATOM 1562 CD1 TYR A 161 -18.392 4.081 3.484 1.00 9.90 C ATOM 1563 CD2 TYR A 161 -17.110 5.306 5.121 1.00 9.82 C ATOM 1564 CE1 TYR A 161 -19.339 5.077 3.478 1.00 9.35 C ATOM 1565 CE2 TYR A 161 -18.079 6.298 5.137 1.00 9.00 C ATOM 1566 CZ TYR A 161 -19.186 6.181 4.308 1.00 9.57 C ATOM 1567 OH TYR A 161 -20.137 7.166 4.289 1.00 10.18 O ATOM 1568 HH TYR A 161 -20.526 7.265 5.194 1.00 0.00 H ATOM 1569 H TYR A 161 -16.257 2.270 1.709 1.00 0.00 H ATOM 1570 N LYS A 162 -13.569 1.679 2.529 1.00 17.89 N ATOM 1571 CA LYS A 162 -12.418 0.805 2.748 1.00 23.71 C ATOM 1572 C LYS A 162 -11.038 1.456 2.596 1.00 29.39 C ATOM 1573 O LYS A 162 -10.153 1.203 3.408 1.00 41.48 O ATOM 1574 CB LYS A 162 -12.557 -0.499 1.969 1.00 32.16 C ATOM 1575 CG LYS A 162 -13.503 -1.469 2.668 1.00 28.29 C ATOM 1576 H LYS A 162 -14.140 1.582 1.665 1.00 0.00 H ATOM 1577 N ASN A 163 -10.838 2.291 1.586 1.00 40.68 N ATOM 1578 CA ASN A 163 -9.633 3.108 1.581 1.00 42.65 C ATOM 1579 C ASN A 163 -9.742 4.042 2.775 1.00 48.18 C ATOM 1580 O ASN A 163 -8.793 4.207 3.546 1.00 49.88 O ATOM 1581 CB ASN A 163 -9.508 3.914 0.290 1.00 35.97 C ATOM 1582 H ASN A 163 -11.529 2.361 0.812 1.00 0.00 H ATOM 1583 N LEU A 164 -10.938 4.615 2.910 1.00 50.88 N ATOM 1584 CA LEU A 164 -11.336 5.528 3.983 1.00 44.75 C ATOM 1585 C LEU A 164 -11.751 6.872 3.393 1.00 39.98 C ATOM 1586 O LEU A 164 -12.901 7.295 3.530 1.00 34.36 O ATOM 1587 CB LEU A 164 -10.240 5.712 5.035 1.00 45.54 C ATOM 1588 CG LEU A 164 -9.999 4.643 6.116 1.00 49.89 C ATOM 1589 CD1 LEU A 164 -10.511 5.099 7.481 1.00 32.09 C ATOM 1590 CD2 LEU A 164 -10.580 3.281 5.742 1.00 45.87 C ATOM 1591 H LEU A 164 -11.653 4.393 2.188 1.00 0.00 H TER 1592 LEU A 164 HETATM 1593 O HOH 1 -33.393 6.891 20.851 1.00 35.66 O HETATM 1594 O HOH 2 -16.878 4.895 25.433 1.00 33.61 O HETATM 1595 O HOH 3 -24.141 1.293 20.667 1.00 15.30 O HETATM 1596 O HOH 4 -23.849 0.143 -10.297 1.00 29.94 O HETATM 1597 O HOH 5 -37.862 17.223 -1.436 1.00 29.79 O HETATM 1598 O HOH 6 -20.332 6.312 29.026 1.00 25.20 O HETATM 1599 O HOH 7 -28.788 20.896 21.785 1.00 28.13 O HETATM 1600 O HOH 8 -27.989 7.761 27.756 1.00 19.54 O HETATM 1601 O HOH 9 -26.878 11.102 28.702 1.00 19.87 O HETATM 1602 O HOH 10 -18.876 22.752 1.046 1.00 16.16 O HETATM 1603 O HOH 11 -13.772 -3.435 13.376 1.00 36.10 O HETATM 1604 O HOH 12 -23.484 29.572 28.444 1.00 35.69 O HETATM 1605 O HOH 13 -29.724 25.730 27.520 1.00 23.09 O HETATM 1606 O HOH 14 -25.025 27.525 6.721 1.00 34.14 O HETATM 1607 O HOH 15 -19.595 25.415 31.338 1.00 29.58 O HETATM 1608 O HOH 16 -12.753 24.111 17.937 1.00 32.10 O HETATM 1609 O HOH 17 -25.787 15.431 35.638 1.00 31.97 O HETATM 1610 O HOH 18 -41.060 -2.320 2.915 1.00 23.03 O HETATM 1611 O HOH 19 -22.258 -6.375 1.213 1.00 19.94 O HETATM 1612 O HOH 20 -27.812 18.110 22.719 1.00 26.50 O HETATM 1613 O HOH 21 -21.916 14.189 33.474 1.00 31.23 O HETATM 1614 O HOH 22 -19.070 6.252 26.327 1.00 24.63 O HETATM 1615 O HOH 23 -25.608 -5.578 0.883 1.00 16.64 O HETATM 1616 O HOH 24 -25.722 -2.518 -7.607 1.00 17.58 O HETATM 1617 O HOH 25 -38.086 -3.813 -1.924 1.00 16.70 O HETATM 1618 O HOH 26 -19.754 20.531 -5.075 1.00 16.44 O HETATM 1619 O HOH 27 -16.262 -3.682 11.450 1.00 25.74 O HETATM 1620 O HOH 28 -35.661 -3.328 -9.617 1.00 29.29 O HETATM 1621 O HOH 29 -23.502 26.754 4.671 1.00 34.93 O HETATM 1622 O HOH 30 -14.570 23.556 12.398 1.00 26.78 O HETATM 1623 O HOH 31 -20.459 5.366 20.495 1.00 18.76 O HETATM 1624 O HOH 32 -16.499 21.596 9.990 1.00 21.55 O HETATM 1625 O HOH 33 -22.502 -4.537 -5.731 1.00 27.35 O HETATM 1626 O HOH 34 -16.715 -1.295 15.533 1.00 16.90 O HETATM 1627 O HOH 35 -24.274 25.698 32.295 1.00 35.01 O HETATM 1628 O HOH 36 -33.274 17.780 -7.651 1.00 22.78 O HETATM 1629 O HOH 37 -23.433 19.233 -9.426 1.00 38.79 O HETATM 1630 O HOH 38 -20.933 30.287 11.758 1.00 26.77 O HETATM 1631 O HOH 39 -20.824 26.923 5.785 1.00 15.43 O HETATM 1632 O HOH 40 -25.162 27.262 1.281 1.00 29.70 O HETATM 1633 O HOH 41 -27.638 13.951 26.324 1.00 13.12 O HETATM 1634 O HOH 42 -18.500 32.993 15.380 1.00 39.59 O HETATM 1635 O HOH 43 -26.086 27.663 30.867 1.00 33.46 O HETATM 1636 O HOH 44 -29.270 17.298 31.894 1.00 11.71 O HETATM 1637 O HOH 45 -37.045 -5.686 -0.162 1.00 13.55 O HETATM 1638 O HOH 46 -21.325 -5.438 6.364 1.00 30.10 O HETATM 1639 O HOH 47 -27.606 12.973 22.222 1.00 18.23 O HETATM 1640 O HOH 48 -16.838 25.176 9.795 1.00 17.86 O HETATM 1641 O HOH 49 -26.600 18.238 -8.451 1.00 28.01 O HETATM 1642 O HOH 50 -18.378 -4.520 13.033 1.00 21.74 O HETATM 1643 O HOH 51 -23.825 10.960 31.104 1.00 30.93 O HETATM 1644 O HOH 52 -23.993 -6.124 -2.713 1.00 34.60 O HETATM 1645 O HOH 53 -18.118 16.021 2.011 1.00 14.91 O HETATM 1646 O HOH 54 -30.903 25.301 17.333 1.00 35.20 O HETATM 1647 O HOH 55 -24.647 12.577 28.694 1.00 24.63 O HETATM 1648 O HOH 56 -18.344 -4.691 1.627 1.00 18.35 O HETATM 1649 O HOH 57 -26.981 -1.540 -9.885 1.00 19.61 O HETATM 1650 O HOH 58 -14.672 25.893 14.589 1.00 30.96 O HETATM 1651 O HOH 59 -33.177 11.339 -11.332 1.00 22.46 O HETATM 1652 O HOH 60 -16.391 3.750 15.564 1.00 20.08 O HETATM 1653 O HOH 61 -34.017 -8.158 7.245 1.00 36.98 O HETATM 1654 O HOH 62 -18.094 16.243 4.778 1.00 24.23 O HETATM 1655 O HOH 63 -13.987 3.576 14.433 1.00 30.69 O HETATM 1656 O HOH 64 -14.057 4.552 11.892 1.00 24.32 O HETATM 1657 O HOH 65 -12.644 11.233 9.953 1.00 34.81 O HETATM 1658 O HOH 66 -17.247 13.739 5.793 1.00 23.98 O HETATM 1659 O HOH 67 -15.655 15.800 14.706 1.00 17.14 O HETATM 1660 O HOH 68 -11.027 16.480 26.702 1.00 32.05 O HETATM 1661 O HOH 69 -21.462 31.827 15.202 1.00 35.56 O HETATM 1662 O HOH 70 -23.498 19.499 13.284 1.00 17.66 O HETATM 1663 O HOH 71 -25.577 20.900 10.012 1.00 37.52 O HETATM 1664 O HOH 72 -24.084 29.190 9.945 1.00 39.71 O HETATM 1665 O HOH 73 -23.586 20.623 4.722 1.00 29.93 O HETATM 1666 O HOH 74 -24.502 27.371 15.762 1.00 17.51 O HETATM 1667 O HOH 75 -20.513 12.856 19.831 1.00 9.43 O HETATM 1668 O HOH 76 -22.654 12.304 18.107 1.00 10.51 O HETATM 1669 O HOH 77 -29.350 11.801 15.342 1.00 16.17 O HETATM 1670 O HOH 78 -22.222 12.023 27.576 1.00 25.49 O HETATM 1671 O HOH 79 -19.867 12.657 32.145 1.00 27.21 O HETATM 1672 O HOH 80 -15.666 10.909 31.024 1.00 26.31 O HETATM 1673 O HOH 81 -20.884 33.931 19.963 1.00 39.80 O HETATM 1674 O HOH 82 -21.834 34.063 22.844 1.00 35.27 O HETATM 1675 O HOH 83 -17.822 31.540 25.762 1.00 42.23 O HETATM 1676 O HOH 84 -19.923 24.140 28.001 1.00 17.47 O HETATM 1677 O HOH 85 -20.475 20.685 36.948 1.00 32.26 O HETATM 1678 O HOH 86 -17.313 19.569 35.121 1.00 25.81 O HETATM 1679 O HOH 87 -14.675 19.950 30.765 1.00 21.75 O HETATM 1680 O HOH 88 -13.384 17.666 29.988 1.00 30.11 O HETATM 1681 O HOH 89 -10.696 12.040 26.546 1.00 25.96 O HETATM 1682 O HOH 90 -12.641 9.338 27.973 1.00 25.39 O HETATM 1683 O HOH 91 -31.115 12.159 13.164 1.00 16.06 O HETATM 1684 O HOH 92 -39.165 4.749 16.733 1.00 31.33 O HETATM 1685 O HOH 93 -35.453 10.211 16.997 1.00 30.00 O HETATM 1686 O HOH 94 -42.087 1.505 14.068 1.00 31.96 O HETATM 1687 O HOH 95 -41.705 13.429 7.558 1.00 33.03 O HETATM 1688 O HOH 96 -44.727 9.826 9.536 1.00 31.02 O HETATM 1689 O HOH 97 -41.878 5.823 1.453 1.00 27.60 O HETATM 1690 O HOH 98 -34.965 -1.764 -1.180 1.00 13.52 O HETATM 1691 O HOH 99 -25.285 11.337 4.799 1.00 9.98 O HETATM 1692 O HOH 100 -24.690 18.859 2.770 1.00 18.32 O HETATM 1693 O HOH 101 -32.479 8.736 -11.604 1.00 18.42 O HETATM 1694 O HOH 102 -25.600 5.550 -10.800 1.00 22.50 O HETATM 1695 O HOH 103 -24.600 9.592 -8.295 1.00 17.48 O HETATM 1696 O HOH 104 -26.855 12.841 -10.776 1.00 19.07 O HETATM 1697 O HOH 105 -20.973 7.955 -5.646 1.00 19.18 O HETATM 1698 O HOH 106 -20.266 16.016 6.416 1.00 30.61 O HETATM 1699 O HOH 107 -15.975 10.361 -1.872 1.00 14.56 O HETATM 1700 O HOH 108 -14.013 9.361 -0.023 1.00 15.83 O HETATM 1701 O HOH 109 -14.077 6.721 -0.946 1.00 20.98 O HETATM 1702 O HOH 110 -19.420 1.948 0.176 1.00 13.94 O HETATM 1703 O HOH 111 -12.546 21.180 18.173 1.00 31.41 O HETATM 1704 O HOH 112 -34.568 17.157 9.112 1.00 22.39 O HETATM 1705 O HOH 113 -14.647 11.574 -3.635 1.00 33.59 O HETATM 1706 O HOH 114 -12.387 0.094 -2.239 1.00 38.76 O HETATM 1707 O HOH 115 -20.232 16.696 8.696 1.00 32.83 O HETATM 1708 O HOH 116 -10.186 16.938 19.968 1.00 26.95 O HETATM 1709 O HOH 117 -16.180 13.538 32.605 1.00 23.93 O HETATM 1710 O HOH 118 -24.547 18.746 6.712 1.00 28.14 O HETATM 1711 O HOH 119 -17.324 6.395 -4.402 1.00 24.69 O HETATM 1712 O HOH 120 -12.297 7.393 17.735 1.00 30.34 O HETATM 1713 O HOH 121 -23.969 16.852 12.900 1.00 22.79 O HETATM 1714 O HOH 122 -23.804 15.827 10.385 1.00 19.77 O HETATM 1715 O HOH 123 -11.273 13.331 13.543 1.00 34.26 O HETATM 1716 O HOH 124 -22.949 29.361 14.409 1.00 23.84 O HETATM 1717 O HOH 125 -14.065 25.502 21.096 1.00 27.88 O HETATM 1718 O HOH 126 -42.916 11.069 12.131 1.00 44.47 O HETATM 1719 O HOH 127 -45.601 3.082 6.761 1.00 34.63 O HETATM 1720 O HOH 128 -36.033 15.952 11.485 1.00 26.91 O HETATM 1721 O HOH 129 -33.746 13.029 13.015 1.00 30.50 O HETATM 1722 O HOH 130 -41.348 7.722 -2.181 1.00 24.56 O HETATM 1723 O HOH 131 -40.990 5.222 -1.242 1.00 29.74 O HETATM 1724 O HOH 132 -18.535 16.556 12.277 1.00 19.19 O HETATM 1725 O HOH 133 -21.183 17.614 11.897 1.00 33.05 O HETATM 1726 O HOH 134 -14.784 7.177 18.626 1.00 36.65 O HETATM 1727 O HOH 135 -42.266 -1.442 6.923 1.00 26.13 O HETATM 1728 O HOH 136 -20.812 11.583 -8.158 1.00 28.89 O HETATM 1729 O HOH 137 -23.711 7.084 -9.154 1.00 25.12 O HETATM 1730 C1 BNZ A 138 -32.969 6.196 2.877 1.00 -0.06 C HETATM 1731 C2 BNZ A 138 -32.945 7.046 3.973 1.00 -0.06 C HETATM 1732 C3 BNZ A 138 -33.719 6.798 5.113 1.00 -0.06 C HETATM 1733 C4 BNZ A 138 -34.540 5.680 5.143 1.00 -0.06 C HETATM 1734 C5 BNZ A 138 -34.545 4.825 4.044 1.00 -0.06 C HETATM 1735 C6 BNZ A 138 -33.787 5.069 2.915 1.00 -0.06 C HETATM 1736 H6 BNZ A 138 -33.828 4.392 2.069 1.00 0.06 H HETATM 1737 H5 BNZ A 138 -35.166 3.937 4.075 1.00 0.06 H HETATM 1738 H4 BNZ A 138 -35.165 5.476 6.005 1.00 0.06 H HETATM 1739 H3 BNZ A 138 -33.677 7.471 5.962 1.00 0.06 H HETATM 1740 H2 BNZ A 138 -32.311 7.925 3.946 1.00 0.06 H HETATM 1741 H1 BNZ A 138 -32.361 6.405 2.005 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1730 1731 1735 1741 CONECT 1731 1730 1732 1740 CONECT 1732 1731 1733 1739 CONECT 1733 1732 1734 1738 CONECT 1734 1733 1735 1737 CONECT 1735 1730 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1733 CONECT 1739 1732 CONECT 1740 1731 CONECT 1741 1730 MASTER 0 0 0 0 0 0 0 0 1740 1 16 13 END
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Structure:
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Related entries of code: 4w52
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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185l
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164aa, >185L_1|Chain... at 96%
186l
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164aa, >186L_1|Chain... at 96%
187l
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164aa, >187L_1|Chain... at 96%
188l
RCSB PDB
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164aa, >188L_1|Chain... at 96%
1l83
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164aa, >1L83_1|Chain... at 96%
1lgw
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PDBbind
164aa, >1LGW_1|Chain... at 95%
1li2
RCSB PDB
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164aa, >1LI2_1|Chain... at 95%
1li3
RCSB PDB
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164aa, >1LI3_1|Chain... at 95%
1li6
RCSB PDB
PDBbind
164aa, >1LI6_1|Chain... at 95%
220l
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164aa, >220L_1|Chain... at 96%
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164aa, >223L_1|Chain... at 95%
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PDBbind
168aa, >3RUN_1|Chain... at 95%
4w53
RCSB PDB
PDBbind
172aa, >4W53_1|Chain... at 94%
4w54
RCSB PDB
PDBbind
172aa, >4W54_1|Chain... at 94%
4w55
RCSB PDB
PDBbind
172aa, >4W55_1|Chain... at 94%
4w57
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PDBbind
172aa, >4W57_1|Chain... at 94%
6ajj
RCSB PDB
PDBbind
943aa, >6AJJ_1|Chain... at 100%
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RCSB PDB
PDBbind
943aa, >6AJI_1|Chain... at 100%
6ajh
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6ajg
RCSB PDB
PDBbind
943aa, >6AJG_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1l83
RCSB PDB
PDBbind
BNZ
1swi
RCSB PDB
PDBbind
BNZ
220l
RCSB PDB
PDBbind
BNZ
223l
RCSB PDB
PDBbind
BNZ
2z9g
RCSB PDB
PDBbind
BNZ
4i7j
RCSB PDB
PDBbind
BNZ
Entry Information
PDB ID
4w52
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
T4 Lysozyme L99A
Ligand Name
BNZ
EC.Number
E.C.3.2.1.17
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=175uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5039-5044
Ligand Properties
Formula
C
6
H
6
Molecular Weight
78.112
Exact Mass
78.047
No. of atoms
12
No. of bonds
12
Polar Surface Area
0
LOGP Value
1.92 (
Computed with XLOGP3
)
1.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
c1ccccc1
InChI String
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
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):
P00720
Entrez Gene ID
NCBI Entrez Gene ID:
1258585
ASD
Information of known allosteric effects of PDB entries
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