Browse entries in the PDBbind-CN Database
HEADER 5H7G_COMPLEX COMPND 5H7G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER CYS ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 A 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 A 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 A 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 A 122 SER ILE PHE THR ASP GLN LEU LYS CYS ASN LEU SER VAL SEQRES 6 A 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE CYS SEQRES 7 A 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 A 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 A 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 A 122 PHE ILE LYS ALA SER SEQRES 1 B 122 SER CYS ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 B 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 B 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 B 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 B 122 SER ILE PHE THR ASP GLN LEU LYS CYS ASN LEU SER VAL SEQRES 6 B 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE CYS SEQRES 7 B 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 B 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 B 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 B 122 PHE ILE LYS ALA SER HET LEU A 334 242 ATOM 1 N SER A 7 -34.130 20.980 34.938 1.00 51.10 N ATOM 2 CA SER A 7 -35.108 20.119 34.196 1.00 50.42 C ATOM 3 C SER A 7 -34.502 19.386 32.985 1.00 46.95 C ATOM 4 O SER A 7 -35.112 18.460 32.447 1.00 47.23 O ATOM 5 CB SER A 7 -36.332 20.943 33.761 1.00 51.83 C ATOM 6 OG SER A 7 -36.057 21.729 32.609 1.00 53.05 O ATOM 7 HG SER A 7 -36.866 22.243 32.361 1.00 0.00 H ATOM 8 HN3 SER A 7 -33.752 21.706 34.296 1.00 0.00 H ATOM 9 HN2 SER A 7 -33.351 20.390 35.293 1.00 0.00 H ATOM 10 HN1 SER A 7 -34.611 21.439 35.738 1.00 0.00 H ATOM 11 N CYS A 8 -33.324 19.806 32.540 1.00 44.40 N ATOM 12 CA CYS A 8 -32.578 19.034 31.561 1.00 40.73 C ATOM 13 C CYS A 8 -31.910 17.859 32.295 1.00 36.50 C ATOM 14 O CYS A 8 -31.571 17.975 33.486 1.00 35.48 O ATOM 15 CB CYS A 8 -31.523 19.908 30.868 1.00 42.46 C ATOM 16 SG CYS A 8 -31.314 19.540 29.125 1.00 46.13 S ATOM 17 H CYS A 8 -32.930 20.700 32.897 1.00 0.00 H ATOM 18 N ILE A 9 -31.753 16.737 31.594 1.00 31.65 N ATOM 19 CA ILE A 9 -30.842 15.672 32.019 1.00 29.59 C ATOM 20 C ILE A 9 -29.547 15.788 31.215 1.00 27.68 C ATOM 21 O ILE A 9 -29.579 15.817 29.975 1.00 26.91 O ATOM 22 CB ILE A 9 -31.444 14.276 31.793 1.00 29.37 C ATOM 23 CG1 ILE A 9 -32.782 14.148 32.540 1.00 30.59 C ATOM 24 CG2 ILE A 9 -30.452 13.188 32.202 1.00 29.06 C ATOM 25 CD1 ILE A 9 -33.556 12.889 32.211 1.00 31.02 C ATOM 26 H ILE A 9 -32.296 16.613 30.715 1.00 0.00 H ATOM 27 N GLN A 10 -28.412 15.835 31.907 1.00 26.13 N ATOM 28 CA GLN A 10 -27.112 15.847 31.262 1.00 24.61 C ATOM 29 C GLN A 10 -26.373 14.539 31.501 1.00 23.18 C ATOM 30 O GLN A 10 -26.268 14.066 32.639 1.00 23.30 O ATOM 31 CB GLN A 10 -26.279 17.021 31.719 1.00 24.99 C ATOM 32 CG GLN A 10 -24.980 17.204 30.949 1.00 24.74 C ATOM 33 CD GLN A 10 -24.402 18.599 31.083 1.00 25.38 C ATOM 34 OE1 GLN A 10 -25.126 19.593 31.114 1.00 26.95 O ATOM 35 NE2 GLN A 10 -23.103 18.677 31.162 1.00 25.69 N ATOM 36 HE22 GLN A 10 -22.527 17.811 31.132 1.00 0.00 H ATOM 37 HE21 GLN A 10 -22.642 19.605 31.255 1.00 0.00 H ATOM 38 H GLN A 10 -28.458 15.864 32.946 1.00 0.00 H ATOM 39 N PHE A 11 -25.870 13.966 30.413 1.00 20.91 N ATOM 40 CA PHE A 11 -25.207 12.671 30.456 1.00 20.06 C ATOM 41 C PHE A 11 -23.711 12.919 30.592 1.00 19.55 C ATOM 42 O PHE A 11 -23.074 13.322 29.648 1.00 18.87 O ATOM 43 CB PHE A 11 -25.477 11.866 29.176 1.00 19.56 C ATOM 44 CG PHE A 11 -26.873 11.301 29.064 1.00 19.72 C ATOM 45 CD1 PHE A 11 -27.991 12.117 29.150 1.00 19.61 C ATOM 46 CD2 PHE A 11 -27.051 9.959 28.762 1.00 19.70 C ATOM 47 CE1 PHE A 11 -29.261 11.592 28.973 1.00 20.32 C ATOM 48 CE2 PHE A 11 -28.313 9.434 28.581 1.00 20.08 C ATOM 49 CZ PHE A 11 -29.423 10.256 28.689 1.00 20.37 C ATOM 50 H PHE A 11 -25.953 14.459 29.501 1.00 0.00 H ATOM 51 N THR A 12 -23.156 12.657 31.766 1.00 19.98 N ATOM 52 CA THR A 12 -21.777 12.987 32.057 1.00 20.13 C ATOM 53 C THR A 12 -20.722 12.108 31.343 1.00 19.97 C ATOM 54 O THR A 12 -19.557 12.502 31.260 1.00 19.71 O ATOM 55 CB THR A 12 -21.507 12.908 33.571 1.00 20.70 C ATOM 56 OG1 THR A 12 -21.693 11.563 33.994 1.00 20.98 O ATOM 57 CG2 THR A 12 -22.450 13.832 34.317 1.00 21.23 C ATOM 58 HG1 THR A 12 -22.623 11.283 33.801 1.00 0.00 H ATOM 59 H THR A 12 -23.730 12.199 32.503 1.00 0.00 H ATOM 60 N ARG A 13 -21.103 10.919 30.871 1.00 20.18 N ATOM 61 CA ARG A 13 -20.166 10.055 30.133 1.00 20.32 C ATOM 62 C ARG A 13 -20.353 10.208 28.618 1.00 19.11 C ATOM 63 O ARG A 13 -19.683 9.535 27.859 1.00 18.36 O ATOM 64 CB ARG A 13 -20.385 8.582 30.482 1.00 22.42 C ATOM 65 CG ARG A 13 -20.228 8.246 31.945 1.00 24.54 C ATOM 66 CD ARG A 13 -19.983 6.747 32.171 1.00 26.74 C ATOM 67 NE ARG A 13 -19.434 6.534 33.522 1.00 29.29 N ATOM 68 CZ ARG A 13 -19.957 5.811 34.518 1.00 30.92 C ATOM 69 NH1 ARG A 13 -19.305 5.761 35.671 1.00 32.92 N ATOM 70 NH2 ARG A 13 -21.080 5.119 34.389 1.00 32.37 N ATOM 71 HE ARG A 13 -18.529 7.004 33.726 1.00 0.00 H ATOM 72 HH12 ARG A 13 -19.689 5.206 36.462 1.00 0.00 H ATOM 73 HH11 ARG A 13 -18.409 6.277 35.785 1.00 0.00 H ATOM 74 HH22 ARG A 13 -21.448 4.571 35.193 1.00 0.00 H ATOM 75 HH21 ARG A 13 -21.593 5.124 33.484 1.00 0.00 H ATOM 76 H ARG A 13 -22.079 10.597 31.027 1.00 0.00 H ATOM 77 N HIS A 14 -21.273 11.065 28.182 1.00 18.47 N ATOM 78 CA HIS A 14 -21.627 11.089 26.752 1.00 18.07 C ATOM 79 C HIS A 14 -20.489 11.527 25.851 1.00 17.65 C ATOM 80 O HIS A 14 -20.199 10.869 24.838 1.00 17.82 O ATOM 81 CB HIS A 14 -22.854 11.949 26.479 1.00 18.12 C ATOM 82 CG HIS A 14 -23.155 12.105 25.024 1.00 17.85 C ATOM 83 ND1 HIS A 14 -23.720 11.102 24.269 1.00 18.40 N ATOM 84 CD2 HIS A 14 -22.927 13.130 24.175 1.00 17.86 C ATOM 85 CE1 HIS A 14 -23.846 11.510 23.015 1.00 17.95 C ATOM 86 NE2 HIS A 14 -23.366 12.737 22.934 1.00 17.90 N ATOM 87 H HIS A 14 -21.740 11.714 28.847 1.00 0.00 H ATOM 88 N ALA A 15 -19.868 12.652 26.187 1.00 17.54 N ATOM 89 CA ALA A 15 -18.710 13.144 25.394 1.00 17.40 C ATOM 90 C ALA A 15 -17.579 12.138 25.271 1.00 17.53 C ATOM 91 O ALA A 15 -17.079 11.922 24.158 1.00 16.57 O ATOM 92 CB ALA A 15 -18.194 14.461 25.907 1.00 17.51 C ATOM 93 H ALA A 15 -20.195 13.194 27.012 1.00 0.00 H ATOM 94 N SER A 16 -17.218 11.478 26.375 1.00 18.05 N ATOM 95 CA SER A 16 -16.157 10.474 26.298 1.00 18.51 C ATOM 96 C SER A 16 -16.534 9.169 25.549 1.00 18.33 C ATOM 97 O SER A 16 -15.661 8.586 24.841 1.00 18.06 O ATOM 98 CB SER A 16 -15.486 10.226 27.654 1.00 19.60 C ATOM 99 OG SER A 16 -16.279 9.530 28.533 1.00 20.94 O ATOM 100 HG SER A 16 -15.792 9.403 29.385 1.00 0.00 H ATOM 101 H SER A 16 -17.687 11.676 27.282 1.00 0.00 H ATOM 102 N ASP A 17 -17.810 8.761 25.641 1.00 17.73 N ATOM 103 CA ASP A 17 -18.353 7.648 24.841 1.00 17.78 C ATOM 104 C ASP A 17 -18.403 7.981 23.345 1.00 17.33 C ATOM 105 O ASP A 17 -18.087 7.131 22.534 1.00 16.94 O ATOM 106 CB ASP A 17 -19.746 7.206 25.344 1.00 18.30 C ATOM 107 CG ASP A 17 -19.685 6.465 26.685 1.00 18.98 C ATOM 108 OD1 ASP A 17 -18.632 5.861 27.017 1.00 19.32 O ATOM 109 OD2 ASP A 17 -20.713 6.449 27.397 1.00 19.61 O ATOM 110 H ASP A 17 -18.442 9.251 26.305 1.00 0.00 H ATOM 111 N VAL A 18 -18.768 9.208 22.985 1.00 17.11 N ATOM 112 CA VAL A 18 -18.690 9.653 21.578 1.00 17.28 C ATOM 113 C VAL A 18 -17.225 9.560 21.089 1.00 17.11 C ATOM 114 O VAL A 18 -16.939 9.020 20.012 1.00 16.94 O ATOM 115 CB VAL A 18 -19.191 11.117 21.421 1.00 17.22 C ATOM 116 CG1 VAL A 18 -18.806 11.733 20.074 1.00 17.51 C ATOM 117 CG2 VAL A 18 -20.697 11.166 21.594 1.00 17.41 C ATOM 118 H VAL A 18 -19.116 9.869 23.709 1.00 0.00 H ATOM 119 N LEU A 19 -16.315 10.081 21.904 1.00 17.26 N ATOM 120 CA LEU A 19 -14.912 10.105 21.573 1.00 17.26 C ATOM 121 C LEU A 19 -14.343 8.693 21.448 1.00 17.67 C ATOM 122 O LEU A 19 -13.595 8.428 20.494 1.00 17.94 O ATOM 123 CB LEU A 19 -14.101 10.948 22.556 1.00 17.42 C ATOM 124 CG LEU A 19 -12.652 11.262 22.157 1.00 17.64 C ATOM 125 CD1 LEU A 19 -12.540 12.136 20.925 1.00 17.67 C ATOM 126 CD2 LEU A 19 -11.934 11.907 23.318 1.00 17.80 C ATOM 127 H LEU A 19 -16.625 10.485 22.811 1.00 0.00 H ATOM 128 N LEU A 20 -14.664 7.798 22.384 1.00 17.64 N ATOM 129 CA LEU A 20 -14.310 6.379 22.215 1.00 18.21 C ATOM 130 C LEU A 20 -14.773 5.847 20.830 1.00 18.13 C ATOM 131 O LEU A 20 -14.007 5.206 20.128 1.00 17.99 O ATOM 132 CB LEU A 20 -14.869 5.516 23.336 1.00 18.84 C ATOM 133 CG LEU A 20 -14.172 5.651 24.715 1.00 19.37 C ATOM 134 CD1 LEU A 20 -15.078 5.297 25.887 1.00 19.82 C ATOM 135 CD2 LEU A 20 -12.901 4.802 24.756 1.00 20.12 C ATOM 136 H LEU A 20 -15.168 8.105 23.240 1.00 0.00 H ATOM 137 N ASN A 21 -16.028 6.106 20.458 1.00 17.73 N ATOM 138 CA ASN A 21 -16.557 5.589 19.205 1.00 17.91 C ATOM 139 C ASN A 21 -15.906 6.246 17.990 1.00 17.76 C ATOM 140 O ASN A 21 -15.711 5.576 16.986 1.00 18.31 O ATOM 141 CB ASN A 21 -18.100 5.731 19.139 1.00 17.69 C ATOM 142 CG ASN A 21 -18.836 4.579 19.799 1.00 18.05 C ATOM 143 OD1 ASN A 21 -18.301 3.487 20.000 1.00 18.17 O ATOM 144 ND2 ASN A 21 -20.102 4.810 20.101 1.00 18.06 N ATOM 145 HD22 ASN A 21 -20.518 5.745 19.916 1.00 0.00 H ATOM 146 HD21 ASN A 21 -20.682 4.057 20.523 1.00 0.00 H ATOM 147 H ASN A 21 -16.636 6.685 21.072 1.00 0.00 H ATOM 148 N LEU A 22 -15.554 7.529 18.077 1.00 17.30 N ATOM 149 CA LEU A 22 -14.816 8.190 16.991 1.00 17.54 C ATOM 150 C LEU A 22 -13.444 7.564 16.735 1.00 18.03 C ATOM 151 O LEU A 22 -13.046 7.404 15.573 1.00 17.99 O ATOM 152 CB LEU A 22 -14.656 9.688 17.254 1.00 17.08 C ATOM 153 CG LEU A 22 -15.955 10.505 17.182 1.00 16.91 C ATOM 154 CD1 LEU A 22 -15.680 11.928 17.644 1.00 16.69 C ATOM 155 CD2 LEU A 22 -16.524 10.461 15.756 1.00 17.33 C ATOM 156 H LEU A 22 -15.806 8.071 18.928 1.00 0.00 H ATOM 157 N ASN A 23 -12.764 7.177 17.819 1.00 18.42 N ATOM 158 CA ASN A 23 -11.481 6.503 17.750 1.00 19.30 C ATOM 159 C ASN A 23 -11.614 5.074 17.200 1.00 20.46 C ATOM 160 O ASN A 23 -10.753 4.613 16.452 1.00 21.33 O ATOM 161 CB ASN A 23 -10.792 6.513 19.122 1.00 19.37 C ATOM 162 CG ASN A 23 -9.305 6.188 19.032 1.00 19.94 C ATOM 163 OD1 ASN A 23 -8.688 6.411 18.009 1.00 20.61 O ATOM 164 ND2 ASN A 23 -8.749 5.638 20.081 1.00 20.36 N ATOM 165 HD22 ASN A 23 -9.313 5.464 20.937 1.00 0.00 H ATOM 166 HD21 ASN A 23 -7.743 5.375 20.058 1.00 0.00 H ATOM 167 H ASN A 23 -13.174 7.368 18.756 1.00 0.00 H ATOM 168 N ARG A 24 -12.720 4.392 17.515 1.00 20.92 N ATOM 169 CA ARG A 24 -12.984 3.082 16.935 1.00 22.19 C ATOM 170 C ARG A 24 -13.205 3.242 15.433 1.00 22.05 C ATOM 171 O ARG A 24 -12.773 2.396 14.653 1.00 22.59 O ATOM 172 CB ARG A 24 -14.188 2.400 17.608 1.00 23.04 C ATOM 173 CG ARG A 24 -13.937 2.055 19.090 1.00 24.15 C ATOM 174 CD ARG A 24 -15.132 1.409 19.820 1.00 24.98 C ATOM 175 NE ARG A 24 -15.273 0.023 19.391 1.00 26.83 N ATOM 176 CZ ARG A 24 -14.467 -0.984 19.744 1.00 28.56 C ATOM 177 NH1 ARG A 24 -14.677 -2.200 19.237 1.00 30.19 N ATOM 178 NH2 ARG A 24 -13.468 -0.810 20.611 1.00 28.39 N ATOM 179 HE ARG A 24 -16.067 -0.201 18.758 1.00 0.00 H ATOM 180 HH12 ARG A 24 -14.056 -2.990 19.505 1.00 0.00 H ATOM 181 HH11 ARG A 24 -15.462 -2.358 18.573 1.00 0.00 H ATOM 182 HH22 ARG A 24 -12.857 -1.611 20.867 1.00 0.00 H ATOM 183 HH21 ARG A 24 -13.301 0.127 21.030 1.00 0.00 H ATOM 184 H ARG A 24 -13.402 4.803 18.184 1.00 0.00 H ATOM 185 N LEU A 25 -13.883 4.320 15.035 1.00 21.49 N ATOM 186 CA LEU A 25 -14.094 4.630 13.609 1.00 21.97 C ATOM 187 C LEU A 25 -12.756 4.894 12.941 1.00 22.46 C ATOM 188 O LEU A 25 -12.530 4.425 11.817 1.00 23.28 O ATOM 189 CB LEU A 25 -15.040 5.839 13.386 1.00 21.22 C ATOM 190 CG LEU A 25 -16.518 5.682 13.748 1.00 21.27 C ATOM 191 CD1 LEU A 25 -17.235 7.032 13.723 1.00 20.74 C ATOM 192 CD2 LEU A 25 -17.211 4.712 12.800 1.00 22.09 C ATOM 193 H LEU A 25 -14.275 4.962 15.753 1.00 0.00 H ATOM 194 N ARG A 26 -11.872 5.627 13.621 1.00 22.39 N ATOM 195 CA ARG A 26 -10.531 5.894 13.094 1.00 23.15 C ATOM 196 C ARG A 26 -9.728 4.605 12.994 1.00 23.94 C ATOM 197 O ARG A 26 -9.064 4.378 11.986 1.00 24.26 O ATOM 198 CB ARG A 26 -9.762 6.918 13.922 1.00 23.05 C ATOM 199 CG ARG A 26 -8.306 7.078 13.462 1.00 23.83 C ATOM 200 CD ARG A 26 -7.575 8.163 14.201 1.00 23.91 C ATOM 201 NE ARG A 26 -7.266 7.826 15.601 1.00 24.15 N ATOM 202 CZ ARG A 26 -6.040 7.704 16.140 1.00 24.79 C ATOM 203 NH1 ARG A 26 -4.924 7.866 15.409 1.00 25.05 N ATOM 204 NH2 ARG A 26 -5.918 7.409 17.445 1.00 24.18 N ATOM 205 HE ARG A 26 -8.075 7.667 16.235 1.00 0.00 H ATOM 206 HH12 ARG A 26 -3.990 7.765 15.856 1.00 0.00 H ATOM 207 HH11 ARG A 26 -4.994 8.092 14.396 1.00 0.00 H ATOM 208 HH22 ARG A 26 -4.974 7.313 17.870 1.00 0.00 H ATOM 209 HH21 ARG A 26 -6.768 7.277 18.030 1.00 0.00 H ATOM 210 H ARG A 26 -12.141 6.018 14.546 1.00 0.00 H ATOM 211 N SER A 27 -9.815 3.771 14.022 1.00 23.79 N ATOM 212 CA SER A 27 -9.163 2.486 14.029 1.00 25.18 C ATOM 213 C SER A 27 -9.608 1.540 12.911 1.00 26.34 C ATOM 214 O SER A 27 -8.794 0.788 12.412 1.00 26.84 O ATOM 215 CB SER A 27 -9.372 1.790 15.358 1.00 25.57 C ATOM 216 OG SER A 27 -8.863 0.486 15.304 1.00 26.95 O ATOM 217 HG SER A 27 -9.331 -0.021 14.594 1.00 0.00 H ATOM 218 H SER A 27 -10.374 4.055 14.852 1.00 0.00 H ATOM 219 N ARG A 28 -10.897 1.552 12.558 1.00 26.48 N ATOM 220 CA ARG A 28 -11.420 0.670 11.506 1.00 28.01 C ATOM 221 C ARG A 28 -11.387 1.336 10.137 1.00 27.82 C ATOM 222 O ARG A 28 -11.845 0.754 9.172 1.00 27.84 O ATOM 223 CB ARG A 28 -12.847 0.241 11.815 1.00 28.67 C ATOM 224 CG ARG A 28 -13.012 -0.428 13.181 1.00 29.63 C ATOM 225 CD ARG A 28 -12.902 -1.932 13.113 1.00 31.39 C ATOM 226 NE ARG A 28 -13.099 -2.527 14.434 1.00 32.49 N ATOM 227 CZ ARG A 28 -12.162 -3.065 15.220 1.00 33.49 C ATOM 228 NH1 ARG A 28 -12.530 -3.560 16.406 1.00 34.15 N ATOM 229 NH2 ARG A 28 -10.880 -3.132 14.857 1.00 34.04 N ATOM 230 HE ARG A 28 -14.072 -2.532 14.801 1.00 0.00 H ATOM 231 HH12 ARG A 28 -11.819 -3.984 17.036 1.00 0.00 H ATOM 232 HH11 ARG A 28 -13.527 -3.521 16.699 1.00 0.00 H ATOM 233 HH22 ARG A 28 -10.180 -3.559 15.497 1.00 0.00 H ATOM 234 HH21 ARG A 28 -10.581 -2.758 13.934 1.00 0.00 H ATOM 235 H ARG A 28 -11.548 2.204 13.041 1.00 0.00 H ATOM 236 N ASP A 29 -10.887 2.568 10.087 1.00 27.62 N ATOM 237 CA ASP A 29 -10.723 3.331 8.861 1.00 28.35 C ATOM 238 C ASP A 29 -12.067 3.678 8.215 1.00 27.93 C ATOM 239 O ASP A 29 -12.208 3.652 6.985 1.00 28.22 O ATOM 240 CB ASP A 29 -9.783 2.582 7.877 1.00 30.11 C ATOM 241 CG ASP A 29 -9.102 3.511 6.911 1.00 30.90 C ATOM 242 OD1 ASP A 29 -8.718 4.636 7.316 1.00 31.69 O ATOM 243 OD2 ASP A 29 -8.955 3.130 5.742 1.00 32.81 O ATOM 244 H ASP A 29 -10.595 3.013 10.981 1.00 0.00 H ATOM 245 N ILE A 30 -13.052 4.019 9.052 1.00 26.78 N ATOM 246 CA ILE A 30 -14.408 4.264 8.582 1.00 26.66 C ATOM 247 C ILE A 30 -14.677 5.761 8.570 1.00 25.61 C ATOM 248 O ILE A 30 -14.574 6.427 9.605 1.00 24.73 O ATOM 249 CB ILE A 30 -15.441 3.521 9.446 1.00 26.72 C ATOM 250 CG1 ILE A 30 -15.233 2.016 9.282 1.00 27.96 C ATOM 251 CG2 ILE A 30 -16.870 3.920 9.054 1.00 26.63 C ATOM 252 CD1 ILE A 30 -15.987 1.174 10.274 1.00 28.10 C ATOM 253 H ILE A 30 -12.844 4.112 10.067 1.00 0.00 H ATOM 254 N LEU A 31 -15.038 6.259 7.380 1.00 25.79 N ATOM 255 CA LEU A 31 -15.278 7.684 7.091 1.00 25.22 C ATOM 256 C LEU A 31 -14.106 8.631 7.390 1.00 23.95 C ATOM 257 O LEU A 31 -14.302 9.843 7.441 1.00 22.66 O ATOM 258 CB LEU A 31 -16.592 8.179 7.718 1.00 25.58 C ATOM 259 CG LEU A 31 -17.805 8.093 6.751 1.00 26.80 C ATOM 260 CD1 LEU A 31 -18.237 6.652 6.484 1.00 27.64 C ATOM 261 CD2 LEU A 31 -18.956 8.941 7.248 1.00 26.42 C ATOM 262 H LEU A 31 -15.159 5.586 6.597 1.00 0.00 H ATOM 263 N THR A 32 -12.889 8.086 7.507 1.00 24.15 N ATOM 264 CA THR A 32 -11.678 8.904 7.504 1.00 23.93 C ATOM 265 C THR A 32 -11.631 9.583 6.151 1.00 24.52 C ATOM 266 O THR A 32 -11.827 8.929 5.127 1.00 24.96 O ATOM 267 CB THR A 32 -10.403 8.080 7.731 1.00 24.42 C ATOM 268 OG1 THR A 32 -10.450 6.878 6.959 1.00 25.59 O ATOM 269 CG2 THR A 32 -10.271 7.697 9.197 1.00 24.28 C ATOM 270 HG1 THR A 32 -9.623 6.355 7.113 1.00 0.00 H ATOM 271 H THR A 32 -12.803 7.054 7.602 1.00 0.00 H ATOM 272 N ASP A 33 -11.469 10.900 6.164 1.00 23.99 N ATOM 273 CA ASP A 33 -11.554 11.726 4.947 1.00 24.31 C ATOM 274 C ASP A 33 -10.270 12.507 4.651 1.00 23.92 C ATOM 275 O ASP A 33 -10.256 13.333 3.730 1.00 24.19 O ATOM 276 CB ASP A 33 -12.736 12.702 5.044 1.00 24.27 C ATOM 277 CG ASP A 33 -12.753 13.481 6.350 1.00 24.07 C ATOM 278 OD1 ASP A 33 -11.878 13.233 7.180 1.00 23.19 O ATOM 279 OD2 ASP A 33 -13.658 14.328 6.558 1.00 25.06 O ATOM 280 H ASP A 33 -11.274 11.369 7.072 1.00 0.00 H ATOM 281 N VAL A 34 -9.212 12.261 5.429 1.00 22.73 N ATOM 282 CA VAL A 34 -7.934 12.938 5.228 1.00 22.52 C ATOM 283 C VAL A 34 -6.762 12.042 5.671 1.00 22.28 C ATOM 284 O VAL A 34 -6.862 11.293 6.664 1.00 22.23 O ATOM 285 CB VAL A 34 -7.920 14.346 5.907 1.00 21.73 C ATOM 286 CG1 VAL A 34 -7.762 14.258 7.424 1.00 21.01 C ATOM 287 CG2 VAL A 34 -6.847 15.235 5.317 1.00 22.29 C ATOM 288 H VAL A 34 -9.301 11.568 6.199 1.00 0.00 H ATOM 289 N VAL A 35 -5.665 12.121 4.927 1.00 22.55 N ATOM 290 CA VAL A 35 -4.371 11.568 5.365 1.00 22.72 C ATOM 291 C VAL A 35 -3.453 12.752 5.633 1.00 22.34 C ATOM 292 O VAL A 35 -3.196 13.555 4.742 1.00 22.35 O ATOM 293 CB VAL A 35 -3.696 10.640 4.329 1.00 23.95 C ATOM 294 CG1 VAL A 35 -2.391 10.059 4.891 1.00 24.35 C ATOM 295 CG2 VAL A 35 -4.632 9.522 3.888 1.00 24.46 C ATOM 296 H VAL A 35 -5.721 12.591 4.001 1.00 0.00 H ATOM 297 N ILE A 36 -2.984 12.862 6.870 1.00 21.57 N ATOM 298 CA ILE A 36 -2.015 13.872 7.246 1.00 21.73 C ATOM 299 C ILE A 36 -0.659 13.284 6.964 1.00 22.28 C ATOM 300 O ILE A 36 -0.384 12.156 7.381 1.00 22.46 O ATOM 301 CB ILE A 36 -2.083 14.231 8.753 1.00 21.21 C ATOM 302 CG1 ILE A 36 -3.497 14.708 9.129 1.00 20.63 C ATOM 303 CG2 ILE A 36 -1.009 15.278 9.081 1.00 21.58 C ATOM 304 CD1 ILE A 36 -4.029 15.820 8.241 1.00 20.73 C ATOM 305 H ILE A 36 -3.324 12.199 7.596 1.00 0.00 H ATOM 306 N VAL A 37 0.175 14.035 6.239 1.00 22.80 N ATOM 307 CA VAL A 37 1.501 13.582 5.860 1.00 23.67 C ATOM 308 C VAL A 37 2.532 14.395 6.608 1.00 23.80 C ATOM 309 O VAL A 37 2.441 15.611 6.653 1.00 23.50 O ATOM 310 CB VAL A 37 1.791 13.766 4.345 1.00 24.31 C ATOM 311 CG1 VAL A 37 3.227 13.339 4.029 1.00 25.21 C ATOM 312 CG2 VAL A 37 0.814 12.951 3.517 1.00 24.59 C ATOM 313 H VAL A 37 -0.137 14.979 5.935 1.00 0.00 H ATOM 314 N VAL A 38 3.516 13.715 7.176 1.00 24.61 N ATOM 315 CA VAL A 38 4.636 14.385 7.812 1.00 25.45 C ATOM 316 C VAL A 38 5.861 13.842 7.113 1.00 26.90 C ATOM 317 O VAL A 38 6.362 12.762 7.445 1.00 27.23 O ATOM 318 CB VAL A 38 4.639 14.158 9.343 1.00 25.08 C ATOM 319 CG1 VAL A 38 5.759 14.947 9.987 1.00 25.58 C ATOM 320 CG2 VAL A 38 3.293 14.581 9.926 1.00 23.98 C ATOM 321 H VAL A 38 3.486 12.675 7.166 1.00 0.00 H ATOM 322 N SER A 39 6.313 14.612 6.121 1.00 28.06 N ATOM 323 CA SER A 39 7.350 14.207 5.168 1.00 29.62 C ATOM 324 C SER A 39 6.900 12.952 4.400 1.00 30.20 C ATOM 325 O SER A 39 6.230 13.092 3.363 1.00 30.41 O ATOM 326 CB SER A 39 8.723 14.082 5.855 1.00 30.07 C ATOM 327 OG SER A 39 9.736 13.854 4.906 1.00 31.02 O ATOM 328 HG SER A 39 10.608 13.777 5.368 1.00 0.00 H ATOM 329 H SER A 39 5.902 15.562 6.018 1.00 0.00 H ATOM 330 N ARG A 40 7.239 11.756 4.891 1.00 30.85 N ATOM 331 CA ARG A 40 6.829 10.500 4.255 1.00 31.97 C ATOM 332 C ARG A 40 5.969 9.593 5.143 1.00 31.21 C ATOM 333 O ARG A 40 5.429 8.601 4.646 1.00 31.24 O ATOM 334 CB ARG A 40 8.057 9.743 3.697 1.00 34.06 C ATOM 335 CG ARG A 40 8.844 10.544 2.659 1.00 35.62 C ATOM 336 CD ARG A 40 10.011 9.776 2.048 1.00 37.95 C ATOM 337 NE ARG A 40 10.624 10.516 0.930 1.00 39.41 N ATOM 338 CZ ARG A 40 11.599 10.066 0.135 1.00 41.56 C ATOM 339 NH1 ARG A 40 12.126 8.848 0.302 1.00 42.80 N ATOM 340 NH2 ARG A 40 12.060 10.843 -0.849 1.00 42.39 N ATOM 341 HE ARG A 40 10.265 11.474 0.743 1.00 0.00 H ATOM 342 HH12 ARG A 40 12.884 8.519 -0.329 1.00 0.00 H ATOM 343 HH11 ARG A 40 11.777 8.230 1.063 1.00 0.00 H ATOM 344 HH22 ARG A 40 12.819 10.499 -1.471 1.00 0.00 H ATOM 345 HH21 ARG A 40 11.660 11.792 -0.993 1.00 0.00 H ATOM 346 H ARG A 40 7.815 11.715 5.756 1.00 0.00 H ATOM 347 N GLU A 41 5.820 9.928 6.433 1.00 30.51 N ATOM 348 CA GLU A 41 4.875 9.231 7.325 1.00 30.07 C ATOM 349 C GLU A 41 3.441 9.681 7.090 1.00 28.67 C ATOM 350 O GLU A 41 3.197 10.849 6.763 1.00 28.41 O ATOM 351 CB GLU A 41 5.226 9.481 8.800 1.00 30.16 C ATOM 352 CG GLU A 41 6.554 8.878 9.213 1.00 31.90 C ATOM 353 CD GLU A 41 6.573 7.377 9.061 1.00 33.41 C ATOM 354 OE1 GLU A 41 5.643 6.715 9.557 1.00 34.28 O ATOM 355 OE2 GLU A 41 7.505 6.850 8.428 1.00 35.61 O ATOM 356 H GLU A 41 6.391 10.707 6.818 1.00 0.00 H ATOM 357 N GLN A 42 2.508 8.757 7.303 1.00 28.02 N ATOM 358 CA GLN A 42 1.091 8.963 7.010 1.00 27.45 C ATOM 359 C GLN A 42 0.216 8.646 8.209 1.00 26.36 C ATOM 360 O GLN A 42 0.449 7.648 8.870 1.00 26.38 O ATOM 361 CB GLN A 42 0.647 8.023 5.896 1.00 28.41 C ATOM 362 CG GLN A 42 1.168 8.348 4.513 1.00 29.87 C ATOM 363 CD GLN A 42 0.474 7.516 3.438 1.00 30.94 C ATOM 364 OE1 GLN A 42 -0.558 6.889 3.704 1.00 31.67 O ATOM 365 NE2 GLN A 42 1.018 7.520 2.220 1.00 32.43 N ATOM 366 HE22 GLN A 42 1.887 8.062 2.041 1.00 0.00 H ATOM 367 HE21 GLN A 42 0.573 6.981 1.450 1.00 0.00 H ATOM 368 H GLN A 42 2.802 7.841 7.698 1.00 0.00 H ATOM 369 N PHE A 43 -0.812 9.481 8.431 1.00 25.27 N ATOM 370 CA PHE A 43 -1.779 9.333 9.507 1.00 24.53 C ATOM 371 C PHE A 43 -3.201 9.626 9.010 1.00 24.22 C ATOM 372 O PHE A 43 -3.512 10.746 8.630 1.00 23.24 O ATOM 373 CB PHE A 43 -1.455 10.277 10.672 1.00 23.69 C ATOM 374 CG PHE A 43 -0.020 10.226 11.110 1.00 24.26 C ATOM 375 CD1 PHE A 43 0.913 11.094 10.561 1.00 24.40 C ATOM 376 CD2 PHE A 43 0.402 9.296 12.051 1.00 24.54 C ATOM 377 CE1 PHE A 43 2.246 11.049 10.951 1.00 24.98 C ATOM 378 CE2 PHE A 43 1.734 9.234 12.432 1.00 24.80 C ATOM 379 CZ PHE A 43 2.648 10.121 11.895 1.00 25.12 C ATOM 380 H PHE A 43 -0.925 10.291 7.788 1.00 0.00 H ATOM 381 N ARG A 44 -4.071 8.626 9.057 1.00 24.89 N ATOM 382 CA ARG A 44 -5.447 8.811 8.583 1.00 25.42 C ATOM 383 C ARG A 44 -6.296 9.423 9.710 1.00 23.87 C ATOM 384 O ARG A 44 -6.134 9.045 10.855 1.00 23.11 O ATOM 385 CB ARG A 44 -5.988 7.484 8.063 1.00 27.45 C ATOM 386 CG ARG A 44 -5.137 6.947 6.915 1.00 29.99 C ATOM 387 CD ARG A 44 -5.569 5.589 6.422 1.00 32.27 C ATOM 388 NE ARG A 44 -6.878 5.675 5.772 1.00 34.28 N ATOM 389 CZ ARG A 44 -7.099 5.916 4.476 1.00 35.64 C ATOM 390 NH1 ARG A 44 -6.099 6.127 3.625 1.00 37.02 N ATOM 391 NH2 ARG A 44 -8.358 5.955 4.033 1.00 36.89 N ATOM 392 HE ARG A 44 -7.714 5.536 6.375 1.00 0.00 H ATOM 393 HH12 ARG A 44 -6.300 6.312 2.622 1.00 0.00 H ATOM 394 HH11 ARG A 44 -5.116 6.107 3.963 1.00 0.00 H ATOM 395 HH22 ARG A 44 -8.550 6.141 3.028 1.00 0.00 H ATOM 396 HH21 ARG A 44 -9.147 5.799 4.693 1.00 0.00 H ATOM 397 H ARG A 44 -3.775 7.703 9.433 1.00 0.00 H ATOM 398 N ALA A 45 -7.120 10.420 9.393 1.00 22.76 N ATOM 399 CA ALA A 45 -7.973 11.066 10.411 1.00 21.92 C ATOM 400 C ALA A 45 -9.326 11.524 9.861 1.00 21.42 C ATOM 401 O ALA A 45 -9.617 11.379 8.665 1.00 21.43 O ATOM 402 CB ALA A 45 -7.242 12.241 11.046 1.00 21.73 C ATOM 403 H ALA A 45 -7.164 10.751 8.408 1.00 0.00 H ATOM 404 N HIS A 46 -10.150 12.075 10.745 1.00 20.59 N ATOM 405 CA HIS A 46 -11.377 12.768 10.336 1.00 20.66 C ATOM 406 C HIS A 46 -11.106 14.254 10.447 1.00 20.24 C ATOM 407 O HIS A 46 -10.715 14.718 11.516 1.00 19.70 O ATOM 408 CB HIS A 46 -12.555 12.383 11.250 1.00 20.75 C ATOM 409 CG HIS A 46 -12.855 10.918 11.258 1.00 21.29 C ATOM 410 ND1 HIS A 46 -12.334 10.053 12.202 1.00 21.85 N ATOM 411 CD2 HIS A 46 -13.654 10.172 10.464 1.00 21.91 C ATOM 412 CE1 HIS A 46 -12.764 8.827 11.959 1.00 22.16 C ATOM 413 NE2 HIS A 46 -13.570 8.874 10.911 1.00 22.68 N ATOM 414 H HIS A 46 -9.919 12.013 11.757 1.00 0.00 H ATOM 415 N LYS A 47 -11.303 15.008 9.359 1.00 19.89 N ATOM 416 CA LYS A 47 -11.143 16.470 9.390 1.00 19.94 C ATOM 417 C LYS A 47 -11.858 17.147 10.583 1.00 19.68 C ATOM 418 O LYS A 47 -11.287 18.018 11.235 1.00 19.54 O ATOM 419 CB LYS A 47 -11.643 17.116 8.103 1.00 20.38 C ATOM 420 CG LYS A 47 -10.821 16.792 6.873 1.00 20.92 C ATOM 421 CD LYS A 47 -11.466 17.342 5.616 1.00 21.46 C ATOM 422 CE LYS A 47 -10.593 17.066 4.412 1.00 22.04 C ATOM 423 NZ LYS A 47 -11.208 17.597 3.165 1.00 22.65 N ATOM 424 HZ1 LYS A 47 -12.132 17.144 3.015 1.00 0.00 H ATOM 425 HZ2 LYS A 47 -11.335 18.625 3.253 1.00 0.00 H ATOM 426 HZ3 LYS A 47 -10.585 17.392 2.358 1.00 0.00 H ATOM 427 H LYS A 47 -11.577 14.548 8.467 1.00 0.00 H ATOM 428 N THR A 48 -13.098 16.747 10.869 1.00 19.56 N ATOM 429 CA THR A 48 -13.882 17.441 11.914 1.00 19.54 C ATOM 430 C THR A 48 -13.292 17.279 13.304 1.00 18.85 C ATOM 431 O THR A 48 -13.344 18.229 14.105 1.00 19.62 O ATOM 432 CB THR A 48 -15.367 17.043 11.896 1.00 19.55 C ATOM 433 OG1 THR A 48 -15.480 15.624 11.922 1.00 19.72 O ATOM 434 CG2 THR A 48 -16.001 17.541 10.665 1.00 20.39 C ATOM 435 HG1 THR A 48 -16.437 15.370 11.910 1.00 0.00 H ATOM 436 H THR A 48 -13.515 15.944 10.356 1.00 0.00 H ATOM 437 N VAL A 49 -12.707 16.120 13.603 1.00 18.64 N ATOM 438 CA VAL A 49 -12.004 15.932 14.907 1.00 17.97 C ATOM 439 C VAL A 49 -10.787 16.842 14.977 1.00 18.12 C ATOM 440 O VAL A 49 -10.543 17.497 15.980 1.00 17.48 O ATOM 441 CB VAL A 49 -11.569 14.467 15.148 1.00 18.09 C ATOM 442 CG1 VAL A 49 -10.714 14.303 16.417 1.00 18.00 C ATOM 443 CG2 VAL A 49 -12.800 13.561 15.228 1.00 18.05 C ATOM 444 H VAL A 49 -12.740 15.337 12.920 1.00 0.00 H ATOM 445 N LEU A 50 -10.021 16.880 13.888 1.00 18.56 N ATOM 446 CA LEU A 50 -8.820 17.712 13.823 1.00 19.17 C ATOM 447 C LEU A 50 -9.197 19.179 14.010 1.00 19.45 C ATOM 448 O LEU A 50 -8.573 19.870 14.811 1.00 20.47 O ATOM 449 CB LEU A 50 -8.087 17.513 12.475 1.00 19.64 C ATOM 450 CG LEU A 50 -7.503 16.129 12.173 1.00 20.02 C ATOM 451 CD1 LEU A 50 -6.788 16.102 10.815 1.00 20.62 C ATOM 452 CD2 LEU A 50 -6.568 15.680 13.281 1.00 20.25 C ATOM 453 H LEU A 50 -10.284 16.304 13.063 1.00 0.00 H ATOM 454 N MET A 51 -10.252 19.627 13.327 1.00 19.78 N ATOM 455 CA MET A 51 -10.731 21.024 13.419 1.00 20.25 C ATOM 456 C MET A 51 -11.310 21.383 14.813 1.00 19.75 C ATOM 457 O MET A 51 -11.309 22.553 15.218 1.00 19.59 O ATOM 458 CB MET A 51 -11.791 21.275 12.372 1.00 21.17 C ATOM 459 CG MET A 51 -11.294 21.166 10.947 1.00 22.20 C ATOM 460 SD MET A 51 -12.740 21.397 9.910 1.00 23.71 S ATOM 461 CE MET A 51 -12.825 23.180 9.845 1.00 23.48 C ATOM 462 H MET A 51 -10.759 18.967 12.704 1.00 0.00 H ATOM 463 N ALA A 52 -11.834 20.378 15.505 1.00 19.44 N ATOM 464 CA ALA A 52 -12.330 20.523 16.898 1.00 19.37 C ATOM 465 C ALA A 52 -11.214 20.605 17.941 1.00 19.75 C ATOM 466 O ALA A 52 -11.464 21.033 19.096 1.00 20.54 O ATOM 467 CB ALA A 52 -13.271 19.364 17.237 1.00 19.02 C ATOM 468 H ALA A 52 -11.900 19.445 15.050 1.00 0.00 H ATOM 469 N CYS A 53 -9.998 20.212 17.555 1.00 19.88 N ATOM 470 CA CYS A 53 -8.865 20.115 18.454 1.00 20.34 C ATOM 471 C CYS A 53 -7.741 21.110 18.220 1.00 21.00 C ATOM 472 O CYS A 53 -6.961 21.375 19.143 1.00 21.29 O ATOM 473 CB CYS A 53 -8.259 18.713 18.392 1.00 20.42 C ATOM 474 SG CYS A 53 -9.267 17.434 19.138 1.00 21.15 S ATOM 475 H CYS A 53 -9.856 19.962 16.556 1.00 0.00 H ATOM 476 N SER A 54 -7.616 21.649 17.005 1.00 21.26 N ATOM 477 CA SER A 54 -6.436 22.448 16.658 1.00 21.76 C ATOM 478 C SER A 54 -6.806 23.660 15.811 1.00 21.84 C ATOM 479 O SER A 54 -7.528 23.525 14.822 1.00 22.08 O ATOM 480 CB SER A 54 -5.449 21.539 15.915 1.00 21.96 C ATOM 481 OG SER A 54 -4.532 22.268 15.130 1.00 22.99 O ATOM 482 HG SER A 54 -4.010 22.875 15.713 1.00 0.00 H ATOM 483 H SER A 54 -8.363 21.501 16.297 1.00 0.00 H ATOM 484 N GLY A 55 -6.289 24.831 16.181 1.00 22.06 N ATOM 485 CA GLY A 55 -6.440 26.040 15.379 1.00 22.52 C ATOM 486 C GLY A 55 -5.779 25.936 13.994 1.00 22.72 C ATOM 487 O GLY A 55 -6.312 26.447 12.985 1.00 22.77 O ATOM 488 H GLY A 55 -5.759 24.885 17.074 1.00 0.00 H ATOM 489 N LEU A 56 -4.634 25.257 13.928 1.00 22.68 N ATOM 490 CA LEU A 56 -3.960 25.024 12.653 1.00 23.11 C ATOM 491 C LEU A 56 -4.851 24.257 11.688 1.00 22.10 C ATOM 492 O LEU A 56 -5.063 24.705 10.552 1.00 22.37 O ATOM 493 CB LEU A 56 -2.613 24.292 12.837 1.00 23.67 C ATOM 494 CG LEU A 56 -1.822 23.984 11.537 1.00 24.57 C ATOM 495 CD1 LEU A 56 -1.495 25.248 10.753 1.00 25.68 C ATOM 496 CD2 LEU A 56 -0.542 23.183 11.784 1.00 25.13 C ATOM 497 H LEU A 56 -4.211 24.885 14.803 1.00 0.00 H ATOM 498 N PHE A 57 -5.374 23.113 12.128 1.00 21.04 N ATOM 499 CA PHE A 57 -6.233 22.300 11.262 1.00 20.91 C ATOM 500 C PHE A 57 -7.536 23.004 10.885 1.00 20.78 C ATOM 501 O PHE A 57 -8.001 22.892 9.735 1.00 21.12 O ATOM 502 CB PHE A 57 -6.498 20.915 11.850 1.00 20.04 C ATOM 503 CG PHE A 57 -5.321 19.992 11.736 1.00 20.27 C ATOM 504 CD1 PHE A 57 -4.790 19.673 10.472 1.00 20.53 C ATOM 505 CD2 PHE A 57 -4.742 19.426 12.871 1.00 19.90 C ATOM 506 CE1 PHE A 57 -3.713 18.802 10.368 1.00 20.76 C ATOM 507 CE2 PHE A 57 -3.670 18.557 12.765 1.00 20.04 C ATOM 508 CZ PHE A 57 -3.154 18.250 11.515 1.00 20.68 C ATOM 509 H PHE A 57 -5.170 22.793 13.097 1.00 0.00 H ATOM 510 N TYR A 58 -8.090 23.767 11.820 1.00 20.93 N ATOM 511 CA TYR A 58 -9.236 24.620 11.494 1.00 21.11 C ATOM 512 C TYR A 58 -8.892 25.537 10.319 1.00 21.89 C ATOM 513 O TYR A 58 -9.692 25.659 9.385 1.00 22.45 O ATOM 514 CB TYR A 58 -9.679 25.458 12.685 1.00 21.31 C ATOM 515 CG TYR A 58 -10.903 26.300 12.368 1.00 21.61 C ATOM 516 CD1 TYR A 58 -12.176 25.744 12.407 1.00 21.16 C ATOM 517 CD2 TYR A 58 -10.781 27.638 12.016 1.00 22.60 C ATOM 518 CE1 TYR A 58 -13.298 26.506 12.133 1.00 21.84 C ATOM 519 CE2 TYR A 58 -11.902 28.405 11.727 1.00 23.27 C ATOM 520 CZ TYR A 58 -13.148 27.823 11.779 1.00 22.92 C ATOM 521 OH TYR A 58 -14.250 28.571 11.477 1.00 24.39 O ATOM 522 HH TYR A 58 -15.061 28.010 11.561 1.00 0.00 H ATOM 523 H TYR A 58 -7.709 23.759 12.788 1.00 0.00 H ATOM 524 N SER A 59 -7.705 26.160 10.349 1.00 22.49 N ATOM 525 CA SER A 59 -7.348 27.128 9.324 1.00 23.41 C ATOM 526 C SER A 59 -7.181 26.415 7.997 1.00 23.68 C ATOM 527 O SER A 59 -7.568 26.964 6.966 1.00 24.04 O ATOM 528 CB SER A 59 -6.075 27.892 9.669 1.00 24.12 C ATOM 529 OG SER A 59 -6.266 28.740 10.797 1.00 25.04 O ATOM 530 HG SER A 59 -6.526 28.192 11.580 1.00 0.00 H ATOM 531 H SER A 59 -7.032 25.949 11.114 1.00 0.00 H ATOM 532 N ILE A 60 -6.588 25.210 8.038 1.00 23.26 N ATOM 533 CA ILE A 60 -6.330 24.417 6.827 1.00 23.69 C ATOM 534 C ILE A 60 -7.640 24.003 6.167 1.00 23.70 C ATOM 535 O ILE A 60 -7.815 24.161 4.958 1.00 23.70 O ATOM 536 CB ILE A 60 -5.453 23.168 7.125 1.00 23.33 C ATOM 537 CG1 ILE A 60 -4.000 23.594 7.447 1.00 23.88 C ATOM 538 CG2 ILE A 60 -5.444 22.200 5.941 1.00 23.68 C ATOM 539 CD1 ILE A 60 -3.140 22.526 8.115 1.00 23.46 C ATOM 540 H ILE A 60 -6.301 24.824 8.960 1.00 0.00 H ATOM 541 N PHE A 61 -8.565 23.486 6.955 1.00 23.28 N ATOM 542 CA PHE A 61 -9.805 22.955 6.382 1.00 23.65 C ATOM 543 C PHE A 61 -10.914 23.945 6.109 1.00 24.47 C ATOM 544 O PHE A 61 -11.921 23.555 5.500 1.00 25.24 O ATOM 545 CB PHE A 61 -10.282 21.780 7.191 1.00 22.90 C ATOM 546 CG PHE A 61 -9.300 20.657 7.197 1.00 23.01 C ATOM 547 CD1 PHE A 61 -8.847 20.116 6.002 1.00 23.56 C ATOM 548 CD2 PHE A 61 -8.839 20.133 8.378 1.00 22.70 C ATOM 549 CE1 PHE A 61 -7.934 19.086 6.003 1.00 23.79 C ATOM 550 CE2 PHE A 61 -7.920 19.104 8.384 1.00 22.77 C ATOM 551 CZ PHE A 61 -7.475 18.579 7.196 1.00 23.31 C ATOM 552 H PHE A 61 -8.413 23.456 7.983 1.00 0.00 H ATOM 553 N THR A 62 -10.720 25.203 6.510 1.00 25.20 N ATOM 554 CA THR A 62 -11.572 26.318 6.102 1.00 26.44 C ATOM 555 C THR A 62 -10.922 27.156 4.979 1.00 27.93 C ATOM 556 O THR A 62 -11.518 28.122 4.529 1.00 28.87 O ATOM 557 CB THR A 62 -11.851 27.281 7.274 1.00 26.38 C ATOM 558 OG1 THR A 62 -10.618 27.715 7.826 1.00 26.20 O ATOM 559 CG2 THR A 62 -12.677 26.617 8.368 1.00 25.56 C ATOM 560 HG1 THR A 62 -10.110 26.931 8.154 1.00 0.00 H ATOM 561 H THR A 62 -9.921 25.400 7.146 1.00 0.00 H ATOM 562 N ASP A 63 -9.702 26.813 4.555 1.00 28.97 N ATOM 563 CA ASP A 63 -8.996 27.549 3.483 1.00 30.96 C ATOM 564 C ASP A 63 -9.488 26.958 2.161 1.00 31.75 C ATOM 565 O ASP A 63 -9.506 25.745 1.977 1.00 31.37 O ATOM 566 CB ASP A 63 -7.461 27.500 3.707 1.00 31.22 C ATOM 567 CG ASP A 63 -6.614 27.788 2.446 1.00 32.79 C ATOM 568 OD1 ASP A 63 -7.029 28.456 1.464 1.00 33.42 O ATOM 569 OD2 ASP A 63 -5.463 27.320 2.463 1.00 32.96 O ATOM 570 H ASP A 63 -9.231 25.997 4.995 1.00 0.00 H ATOM 571 N GLN A 64 -9.935 27.828 1.269 1.00 33.73 N ATOM 572 CA GLN A 64 -10.605 27.394 0.029 1.00 35.18 C ATOM 573 C GLN A 64 -9.700 26.600 -0.913 1.00 35.20 C ATOM 574 O GLN A 64 -10.178 25.752 -1.672 1.00 36.10 O ATOM 575 CB GLN A 64 -11.201 28.595 -0.711 1.00 37.44 C ATOM 576 CG GLN A 64 -12.699 28.480 -0.931 1.00 38.69 C ATOM 577 CD GLN A 64 -13.060 27.628 -2.131 1.00 40.15 C ATOM 578 OE1 GLN A 64 -13.724 26.601 -1.997 1.00 41.45 O ATOM 579 NE2 GLN A 64 -12.645 28.060 -3.312 1.00 42.12 N ATOM 580 HE22 GLN A 64 -12.086 28.934 -3.379 1.00 0.00 H ATOM 581 HE21 GLN A 64 -12.879 27.525 -4.173 1.00 0.00 H ATOM 582 H GLN A 64 -9.810 28.845 1.447 1.00 0.00 H ATOM 583 N LEU A 65 -8.401 26.878 -0.871 1.00 34.74 N ATOM 584 CA LEU A 65 -7.429 26.082 -1.604 1.00 34.65 C ATOM 585 C LEU A 65 -7.226 24.670 -1.073 1.00 33.47 C ATOM 586 O LEU A 65 -6.805 23.788 -1.827 1.00 33.04 O ATOM 587 CB LEU A 65 -6.067 26.769 -1.615 1.00 35.49 C ATOM 588 CG LEU A 65 -5.862 27.960 -2.535 1.00 37.09 C ATOM 589 CD1 LEU A 65 -4.418 28.404 -2.390 1.00 37.62 C ATOM 590 CD2 LEU A 65 -6.183 27.620 -3.990 1.00 38.11 C ATOM 591 H LEU A 65 -8.072 27.683 -0.301 1.00 0.00 H ATOM 592 N LYS A 66 -7.462 24.454 0.221 1.00 31.98 N ATOM 593 CA LYS A 66 -7.137 23.182 0.832 1.00 31.15 C ATOM 594 C LYS A 66 -8.326 22.351 1.289 1.00 30.31 C ATOM 595 O LYS A 66 -8.166 21.161 1.549 1.00 29.66 O ATOM 596 CB LYS A 66 -6.195 23.416 2.006 1.00 31.07 C ATOM 597 CG LYS A 66 -4.878 24.038 1.590 1.00 32.15 C ATOM 598 CD LYS A 66 -3.837 23.818 2.659 1.00 32.10 C ATOM 599 CE LYS A 66 -2.608 24.686 2.459 1.00 33.33 C ATOM 600 NZ LYS A 66 -1.867 24.732 3.744 1.00 33.43 N ATOM 601 HZ1 LYS A 66 -2.478 25.138 4.481 1.00 0.00 H ATOM 602 HZ2 LYS A 66 -1.587 23.768 4.016 1.00 0.00 H ATOM 603 HZ3 LYS A 66 -1.018 25.322 3.632 1.00 0.00 H ATOM 604 H LYS A 66 -7.885 25.208 0.799 1.00 0.00 H ATOM 605 N CYS A 67 -9.511 22.954 1.388 1.00 30.72 N ATOM 606 CA CYS A 67 -10.661 22.281 2.014 1.00 30.16 C ATOM 607 C CYS A 67 -11.062 20.967 1.333 1.00 29.62 C ATOM 608 O CYS A 67 -11.558 20.061 1.998 1.00 29.47 O ATOM 609 CB CYS A 67 -11.867 23.231 2.045 1.00 31.07 C ATOM 610 SG CYS A 67 -12.418 23.704 0.408 1.00 34.38 S ATOM 611 H CYS A 67 -9.625 23.918 1.016 1.00 0.00 H ATOM 612 N ASN A 68 -10.843 20.873 0.014 1.00 29.56 N ATOM 613 CA ASN A 68 -11.216 19.688 -0.769 1.00 29.22 C ATOM 614 C ASN A 68 -10.060 18.672 -0.980 1.00 28.92 C ATOM 615 O ASN A 68 -10.221 17.680 -1.699 1.00 29.31 O ATOM 616 CB ASN A 68 -11.791 20.123 -2.112 1.00 30.53 C ATOM 617 CG ASN A 68 -10.878 21.082 -2.871 1.00 31.66 C ATOM 618 OD1 ASN A 68 -9.808 21.475 -2.394 1.00 31.40 O ATOM 619 ND2 ASN A 68 -11.308 21.477 -4.059 1.00 33.02 N ATOM 620 HD22 ASN A 68 -12.214 21.124 -4.428 1.00 0.00 H ATOM 621 HD21 ASN A 68 -10.740 22.140 -4.624 1.00 0.00 H ATOM 622 H ASN A 68 -10.391 21.672 -0.475 1.00 0.00 H ATOM 623 N LEU A 69 -8.913 18.904 -0.344 1.00 27.82 N ATOM 624 CA LEU A 69 -7.782 17.980 -0.432 1.00 27.44 C ATOM 625 C LEU A 69 -7.987 16.766 0.455 1.00 26.71 C ATOM 626 O LEU A 69 -8.404 16.889 1.626 1.00 26.27 O ATOM 627 CB LEU A 69 -6.493 18.675 -0.016 1.00 27.41 C ATOM 628 CG LEU A 69 -6.127 19.933 -0.793 1.00 28.24 C ATOM 629 CD1 LEU A 69 -4.835 20.538 -0.257 1.00 28.42 C ATOM 630 CD2 LEU A 69 -6.004 19.633 -2.284 1.00 29.39 C ATOM 631 H LEU A 69 -8.819 19.766 0.231 1.00 0.00 H ATOM 632 N SER A 70 -7.670 15.601 -0.091 1.00 26.61 N ATOM 633 CA SER A 70 -7.665 14.352 0.661 1.00 25.96 C ATOM 634 C SER A 70 -6.320 14.035 1.359 1.00 25.79 C ATOM 635 O SER A 70 -6.263 13.155 2.235 1.00 25.45 O ATOM 636 CB SER A 70 -8.093 13.217 -0.263 1.00 26.52 C ATOM 637 OG SER A 70 -9.473 13.373 -0.554 1.00 26.31 O ATOM 638 HG SER A 70 -9.767 12.643 -1.154 1.00 0.00 H ATOM 639 H SER A 70 -7.414 15.577 -1.099 1.00 0.00 H ATOM 640 N VAL A 71 -5.274 14.779 1.008 1.00 25.77 N ATOM 641 CA VAL A 71 -3.934 14.607 1.561 1.00 25.93 C ATOM 642 C VAL A 71 -3.433 15.992 1.945 1.00 25.64 C ATOM 643 O VAL A 71 -3.427 16.891 1.103 1.00 26.33 O ATOM 644 CB VAL A 71 -2.964 14.034 0.509 1.00 27.11 C ATOM 645 CG1 VAL A 71 -1.536 13.963 1.057 1.00 27.27 C ATOM 646 CG2 VAL A 71 -3.451 12.683 0.001 1.00 27.50 C ATOM 647 H VAL A 71 -5.420 15.526 0.299 1.00 0.00 H ATOM 648 N ILE A 72 -3.021 16.154 3.200 1.00 24.73 N ATOM 649 CA ILE A 72 -2.514 17.426 3.728 1.00 24.89 C ATOM 650 C ILE A 72 -1.096 17.227 4.273 1.00 24.72 C ATOM 651 O ILE A 72 -0.831 16.294 5.037 1.00 24.65 O ATOM 652 CB ILE A 72 -3.442 17.945 4.858 1.00 24.29 C ATOM 653 CG1 ILE A 72 -4.815 18.331 4.288 1.00 24.40 C ATOM 654 CG2 ILE A 72 -2.814 19.098 5.643 1.00 24.40 C ATOM 655 CD1 ILE A 72 -4.807 19.431 3.250 1.00 25.03 C ATOM 656 H ILE A 72 -3.060 15.336 3.841 1.00 0.00 H ATOM 657 N ASN A 73 -0.193 18.105 3.861 1.00 25.12 N ATOM 658 CA ASN A 73 1.179 18.143 4.383 1.00 25.00 C ATOM 659 C ASN A 73 1.214 19.053 5.557 1.00 24.78 C ATOM 660 O ASN A 73 0.646 20.148 5.507 1.00 24.89 O ATOM 661 CB ASN A 73 2.163 18.706 3.360 1.00 25.87 C ATOM 662 CG ASN A 73 2.605 17.677 2.369 1.00 26.17 C ATOM 663 OD1 ASN A 73 3.246 16.694 2.741 1.00 26.21 O ATOM 664 ND2 ASN A 73 2.263 17.880 1.102 1.00 26.68 N ATOM 665 HD22 ASN A 73 1.721 18.728 0.839 1.00 0.00 H ATOM 666 HD21 ASN A 73 2.538 17.191 0.373 1.00 0.00 H ATOM 667 H ASN A 73 -0.468 18.798 3.136 1.00 0.00 H ATOM 668 N LEU A 74 1.859 18.588 6.616 1.00 24.49 N ATOM 669 CA LEU A 74 2.360 19.474 7.654 1.00 24.46 C ATOM 670 C LEU A 74 3.829 19.794 7.356 1.00 25.61 C ATOM 671 O LEU A 74 4.431 19.249 6.425 1.00 26.13 O ATOM 672 CB LEU A 74 2.196 18.826 9.021 1.00 23.62 C ATOM 673 CG LEU A 74 0.767 18.586 9.519 1.00 22.67 C ATOM 674 CD1 LEU A 74 0.809 18.131 10.972 1.00 22.12 C ATOM 675 CD2 LEU A 74 -0.123 19.816 9.408 1.00 22.55 C ATOM 676 H LEU A 74 2.011 17.563 6.707 1.00 0.00 H ATOM 677 N ASP A 75 4.384 20.724 8.114 1.00 26.19 N ATOM 678 CA ASP A 75 5.807 21.032 8.033 1.00 27.54 C ATOM 679 C ASP A 75 6.548 19.687 8.065 1.00 27.89 C ATOM 680 O ASP A 75 6.384 18.913 9.008 1.00 26.96 O ATOM 681 CB ASP A 75 6.196 21.966 9.184 1.00 27.82 C ATOM 682 CG ASP A 75 7.680 22.277 9.246 1.00 29.16 C ATOM 683 OD1 ASP A 75 8.476 21.821 8.411 1.00 30.14 O ATOM 684 OD2 ASP A 75 8.065 23.011 10.170 1.00 29.89 O ATOM 685 H ASP A 75 3.790 21.250 8.786 1.00 0.00 H ATOM 686 N PRO A 76 7.323 19.378 7.006 1.00 29.09 N ATOM 687 CA PRO A 76 7.925 18.055 6.954 1.00 29.82 C ATOM 688 C PRO A 76 9.075 17.852 7.945 1.00 30.73 C ATOM 689 O PRO A 76 9.578 16.742 8.048 1.00 31.17 O ATOM 690 CB PRO A 76 8.447 17.978 5.519 1.00 30.82 C ATOM 691 CG PRO A 76 8.797 19.390 5.195 1.00 31.16 C ATOM 692 CD PRO A 76 7.652 20.158 5.798 1.00 30.12 C ATOM 693 N GLU A 77 9.511 18.909 8.632 1.00 31.55 N ATOM 694 CA GLU A 77 10.560 18.795 9.636 1.00 32.55 C ATOM 695 C GLU A 77 10.025 18.547 11.054 1.00 32.04 C ATOM 696 O GLU A 77 10.825 18.379 11.983 1.00 32.14 O ATOM 697 CB GLU A 77 11.417 20.052 9.624 1.00 33.93 C ATOM 698 CG GLU A 77 12.000 20.368 8.249 1.00 35.52 C ATOM 699 CD GLU A 77 12.982 21.504 8.312 1.00 37.37 C ATOM 700 OE1 GLU A 77 13.875 21.437 9.179 1.00 39.19 O ATOM 701 OE2 GLU A 77 12.869 22.463 7.515 1.00 38.57 O ATOM 702 H GLU A 77 9.090 19.841 8.445 1.00 0.00 H ATOM 703 N ILE A 78 8.701 18.520 11.237 1.00 31.20 N ATOM 704 CA ILE A 78 8.142 18.208 12.573 1.00 30.72 C ATOM 705 C ILE A 78 8.375 16.742 12.898 1.00 30.61 C ATOM 706 O ILE A 78 8.409 15.890 12.008 1.00 30.24 O ATOM 707 CB ILE A 78 6.641 18.578 12.767 1.00 30.16 C ATOM 708 CG1 ILE A 78 5.686 17.620 12.066 1.00 29.99 C ATOM 709 CG2 ILE A 78 6.358 20.016 12.364 1.00 30.26 C ATOM 710 CD1 ILE A 78 4.240 17.888 12.432 1.00 29.38 C ATOM 711 H ILE A 78 8.063 18.718 10.440 1.00 0.00 H ATOM 712 N ASN A 79 8.533 16.448 14.182 1.00 30.56 N ATOM 713 CA ASN A 79 8.882 15.102 14.605 1.00 31.35 C ATOM 714 C ASN A 79 7.624 14.274 14.403 1.00 30.26 C ATOM 715 O ASN A 79 6.586 14.674 14.910 1.00 29.12 O ATOM 716 CB ASN A 79 9.321 15.122 16.077 1.00 31.94 C ATOM 717 CG ASN A 79 9.776 13.763 16.582 1.00 32.95 C ATOM 718 OD1 ASN A 79 9.017 12.792 16.557 1.00 33.54 O ATOM 719 ND2 ASN A 79 10.993 13.695 17.088 1.00 33.78 N ATOM 720 HD22 ASN A 79 11.603 14.537 17.090 1.00 0.00 H ATOM 721 HD21 ASN A 79 11.342 12.799 17.484 1.00 0.00 H ATOM 722 H ASN A 79 8.405 17.192 14.897 1.00 0.00 H ATOM 723 N PRO A 80 7.694 13.152 13.631 1.00 30.62 N ATOM 724 CA PRO A 80 6.459 12.366 13.386 1.00 29.97 C ATOM 725 C PRO A 80 5.907 11.615 14.610 1.00 29.77 C ATOM 726 O PRO A 80 4.696 11.432 14.702 1.00 28.79 O ATOM 727 CB PRO A 80 6.863 11.396 12.266 1.00 30.83 C ATOM 728 CG PRO A 80 8.348 11.304 12.327 1.00 31.80 C ATOM 729 CD PRO A 80 8.860 12.586 12.913 1.00 31.89 C ATOM 730 N GLU A 81 6.784 11.171 15.515 1.00 30.73 N ATOM 731 CA GLU A 81 6.387 10.617 16.828 1.00 30.72 C ATOM 732 C GLU A 81 5.579 11.646 17.620 1.00 29.08 C ATOM 733 O GLU A 81 4.538 11.309 18.193 1.00 28.86 O ATOM 734 CB GLU A 81 7.619 10.172 17.633 1.00 32.54 C ATOM 735 CG GLU A 81 7.377 9.693 19.068 1.00 33.64 C ATOM 736 CD GLU A 81 8.621 9.075 19.716 1.00 35.66 C ATOM 737 OE1 GLU A 81 9.739 9.228 19.193 1.00 37.93 O ATOM 738 OE2 GLU A 81 8.490 8.427 20.769 1.00 37.59 O ATOM 739 H GLU A 81 7.797 11.217 15.285 1.00 0.00 H ATOM 740 N GLY A 82 6.063 12.888 17.638 1.00 28.07 N ATOM 741 CA GLY A 82 5.396 13.997 18.322 1.00 26.61 C ATOM 742 C GLY A 82 4.001 14.212 17.783 1.00 25.03 C ATOM 743 O GLY A 82 3.045 14.320 18.561 1.00 23.41 O ATOM 744 H GLY A 82 6.957 13.078 17.142 1.00 0.00 H ATOM 745 N PHE A 83 3.872 14.248 16.450 1.00 24.00 N ATOM 746 CA PHE A 83 2.545 14.334 15.857 1.00 23.23 C ATOM 747 C PHE A 83 1.663 13.133 16.211 1.00 22.87 C ATOM 748 O PHE A 83 0.496 13.313 16.514 1.00 21.74 O ATOM 749 CB PHE A 83 2.585 14.525 14.325 1.00 23.16 C ATOM 750 CG PHE A 83 1.223 14.709 13.744 1.00 22.39 C ATOM 751 CD1 PHE A 83 0.536 15.905 13.942 1.00 21.60 C ATOM 752 CD2 PHE A 83 0.585 13.674 13.075 1.00 22.34 C ATOM 753 CE1 PHE A 83 -0.734 16.081 13.455 1.00 21.16 C ATOM 754 CE2 PHE A 83 -0.699 13.849 12.579 1.00 21.89 C ATOM 755 CZ PHE A 83 -1.367 15.049 12.791 1.00 21.28 C ATOM 756 H PHE A 83 4.715 14.215 15.842 1.00 0.00 H ATOM 757 N CYS A 84 2.232 11.927 16.165 1.00 24.01 N ATOM 758 CA CYS A 84 1.509 10.671 16.423 1.00 24.50 C ATOM 759 C CYS A 84 0.977 10.599 17.873 1.00 23.73 C ATOM 760 O CYS A 84 -0.131 10.153 18.117 1.00 22.78 O ATOM 761 CB CYS A 84 2.423 9.470 16.148 1.00 26.23 C ATOM 762 SG CYS A 84 1.567 7.882 16.287 1.00 29.31 S ATOM 763 H CYS A 84 3.244 11.871 15.934 1.00 0.00 H ATOM 764 N ILE A 85 1.784 11.059 18.812 1.00 23.92 N ATOM 765 CA ILE A 85 1.365 11.174 20.213 1.00 23.86 C ATOM 766 C ILE A 85 0.203 12.156 20.308 1.00 22.94 C ATOM 767 O ILE A 85 -0.816 11.853 20.957 1.00 22.75 O ATOM 768 CB ILE A 85 2.543 11.585 21.113 1.00 24.71 C ATOM 769 CG1 ILE A 85 3.559 10.429 21.188 1.00 25.84 C ATOM 770 CG2 ILE A 85 2.083 11.951 22.526 1.00 24.66 C ATOM 771 CD1 ILE A 85 4.972 10.869 21.535 1.00 26.68 C ATOM 772 H ILE A 85 2.748 11.349 18.550 1.00 0.00 H ATOM 773 N LEU A 86 0.306 13.290 19.613 1.00 22.31 N ATOM 774 CA LEU A 86 -0.767 14.282 19.653 1.00 21.47 C ATOM 775 C LEU A 86 -2.082 13.882 18.965 1.00 20.93 C ATOM 776 O LEU A 86 -3.163 14.236 19.458 1.00 19.29 O ATOM 777 CB LEU A 86 -0.265 15.641 19.172 1.00 21.79 C ATOM 778 CG LEU A 86 0.720 16.275 20.171 1.00 22.40 C ATOM 779 CD1 LEU A 86 1.301 17.564 19.623 1.00 22.73 C ATOM 780 CD2 LEU A 86 0.106 16.541 21.538 1.00 22.42 C ATOM 781 H LEU A 86 1.155 13.469 19.039 1.00 0.00 H ATOM 782 N LEU A 87 -2.003 13.199 17.820 1.00 21.42 N ATOM 783 CA LEU A 87 -3.214 12.697 17.167 1.00 21.27 C ATOM 784 C LEU A 87 -3.932 11.689 18.074 1.00 21.16 C ATOM 785 O LEU A 87 -5.159 11.716 18.200 1.00 20.35 O ATOM 786 CB LEU A 87 -2.867 12.001 15.846 1.00 21.71 C ATOM 787 CG LEU A 87 -4.065 11.503 15.029 1.00 21.63 C ATOM 788 CD1 LEU A 87 -5.021 12.649 14.705 1.00 21.09 C ATOM 789 CD2 LEU A 87 -3.573 10.844 13.755 1.00 22.33 C ATOM 790 H LEU A 87 -1.073 13.022 17.388 1.00 0.00 H ATOM 791 N ASP A 88 -3.167 10.781 18.672 1.00 22.10 N ATOM 792 CA ASP A 88 -3.743 9.814 19.615 1.00 22.60 C ATOM 793 C ASP A 88 -4.401 10.542 20.790 1.00 21.21 C ATOM 794 O ASP A 88 -5.517 10.169 21.189 1.00 21.45 O ATOM 795 CB ASP A 88 -2.697 8.818 20.122 1.00 24.49 C ATOM 796 CG ASP A 88 -2.310 7.783 19.079 1.00 26.52 C ATOM 797 OD1 ASP A 88 -3.194 7.343 18.290 1.00 28.05 O ATOM 798 OD2 ASP A 88 -1.121 7.382 19.058 1.00 27.85 O ATOM 799 H ASP A 88 -2.147 10.755 18.469 1.00 0.00 H ATOM 800 N PHE A 89 -3.756 11.600 21.281 1.00 19.98 N ATOM 801 CA PHE A 89 -4.342 12.498 22.298 1.00 19.05 C ATOM 802 C PHE A 89 -5.664 13.121 21.870 1.00 18.17 C ATOM 803 O PHE A 89 -6.604 13.118 22.628 1.00 17.14 O ATOM 804 CB PHE A 89 -3.390 13.634 22.688 1.00 19.26 C ATOM 805 CG PHE A 89 -4.059 14.716 23.446 1.00 18.67 C ATOM 806 CD1 PHE A 89 -4.415 14.512 24.771 1.00 18.71 C ATOM 807 CD2 PHE A 89 -4.434 15.899 22.822 1.00 18.36 C ATOM 808 CE1 PHE A 89 -5.085 15.504 25.463 1.00 18.58 C ATOM 809 CE2 PHE A 89 -5.092 16.895 23.518 1.00 18.17 C ATOM 810 CZ PHE A 89 -5.407 16.697 24.850 1.00 18.30 C ATOM 811 H PHE A 89 -2.797 11.803 20.933 1.00 0.00 H ATOM 812 N MET A 90 -5.732 13.637 20.647 1.00 17.98 N ATOM 813 CA MET A 90 -6.974 14.199 20.143 1.00 17.46 C ATOM 814 C MET A 90 -8.102 13.192 20.225 1.00 17.12 C ATOM 815 O MET A 90 -9.211 13.562 20.587 1.00 16.44 O ATOM 816 CB MET A 90 -6.824 14.671 18.698 1.00 18.03 C ATOM 817 CG MET A 90 -5.950 15.899 18.501 1.00 18.40 C ATOM 818 SD MET A 90 -5.897 16.292 16.716 1.00 19.47 S ATOM 819 CE MET A 90 -4.910 17.778 16.769 1.00 19.72 C ATOM 820 H MET A 90 -4.885 13.639 20.043 1.00 0.00 H ATOM 821 N TYR A 91 -7.825 11.931 19.899 1.00 17.31 N ATOM 822 CA TYR A 91 -8.861 10.905 19.843 1.00 17.32 C ATOM 823 C TYR A 91 -9.081 10.127 21.146 1.00 17.49 C ATOM 824 O TYR A 91 -9.993 9.296 21.211 1.00 17.32 O ATOM 825 CB TYR A 91 -8.585 9.910 18.713 1.00 17.78 C ATOM 826 CG TYR A 91 -9.003 10.320 17.332 1.00 17.76 C ATOM 827 CD1 TYR A 91 -8.155 11.041 16.510 1.00 17.90 C ATOM 828 CD2 TYR A 91 -10.250 9.940 16.817 1.00 17.81 C ATOM 829 CE1 TYR A 91 -8.538 11.398 15.214 1.00 18.10 C ATOM 830 CE2 TYR A 91 -10.633 10.275 15.515 1.00 17.80 C ATOM 831 CZ TYR A 91 -9.776 11.011 14.719 1.00 17.92 C ATOM 832 OH TYR A 91 -10.158 11.339 13.412 1.00 18.28 O ATOM 833 HH TYR A 91 -10.316 10.508 12.897 1.00 0.00 H ATOM 834 H TYR A 91 -6.843 11.670 19.678 1.00 0.00 H ATOM 835 N THR A 92 -8.272 10.376 22.170 1.00 18.04 N ATOM 836 CA THR A 92 -8.318 9.561 23.414 1.00 18.70 C ATOM 837 C THR A 92 -8.417 10.317 24.728 1.00 19.13 C ATOM 838 O THR A 92 -8.853 9.726 25.708 1.00 19.17 O ATOM 839 CB THR A 92 -7.086 8.614 23.542 1.00 19.14 C ATOM 840 OG1 THR A 92 -5.863 9.377 23.679 1.00 18.91 O ATOM 841 CG2 THR A 92 -6.980 7.654 22.325 1.00 19.52 C ATOM 842 HG1 THR A 92 -5.743 9.952 22.882 1.00 0.00 H ATOM 843 H THR A 92 -7.591 11.159 22.100 1.00 0.00 H ATOM 844 N SER A 93 -7.998 11.585 24.756 1.00 20.15 N ATOM 845 CA SER A 93 -7.745 12.369 25.996 1.00 21.50 C ATOM 846 C SER A 93 -6.427 12.066 26.717 1.00 22.44 C ATOM 847 O SER A 93 -6.096 12.765 27.678 1.00 23.11 O ATOM 848 CB SER A 93 -8.891 12.249 27.012 1.00 21.79 C ATOM 849 OG SER A 93 -10.138 12.485 26.371 1.00 22.89 O ATOM 850 HG SER A 93 -10.869 12.405 27.034 1.00 0.00 H ATOM 851 H SER A 93 -7.837 12.059 23.845 1.00 0.00 H ATOM 852 N ARG A 94 -5.696 11.043 26.279 1.00 23.65 N ATOM 853 CA ARG A 94 -4.532 10.541 26.991 1.00 25.42 C ATOM 854 C ARG A 94 -3.267 11.054 26.299 1.00 25.48 C ATOM 855 O ARG A 94 -3.109 10.874 25.091 1.00 23.68 O ATOM 856 CB ARG A 94 -4.543 9.010 27.026 1.00 27.56 C ATOM 857 CG ARG A 94 -5.777 8.401 27.674 1.00 29.33 C ATOM 858 CD ARG A 94 -5.668 6.889 27.885 1.00 31.59 C ATOM 859 NE ARG A 94 -6.298 6.102 26.810 1.00 32.92 N ATOM 860 CZ ARG A 94 -5.700 5.616 25.711 1.00 34.85 C ATOM 861 NH1 ARG A 94 -4.401 5.808 25.455 1.00 36.27 N ATOM 862 NH2 ARG A 94 -6.419 4.911 24.838 1.00 35.64 N ATOM 863 HE ARG A 94 -7.313 5.902 26.914 1.00 0.00 H ATOM 864 HH12 ARG A 94 -3.977 5.414 24.591 1.00 0.00 H ATOM 865 HH11 ARG A 94 -3.815 6.352 26.120 1.00 0.00 H ATOM 866 HH22 ARG A 94 -5.969 4.528 23.982 1.00 0.00 H ATOM 867 HH21 ARG A 94 -7.430 4.743 25.013 1.00 0.00 H ATOM 868 H ARG A 94 -5.970 10.582 25.388 1.00 0.00 H ATOM 869 N LEU A 95 -2.418 11.741 27.062 1.00 26.00 N ATOM 870 CA LEU A 95 -1.159 12.294 26.571 1.00 27.43 C ATOM 871 C LEU A 95 0.016 11.561 27.232 1.00 29.24 C ATOM 872 O LEU A 95 0.281 11.718 28.439 1.00 28.40 O ATOM 873 CB LEU A 95 -1.102 13.794 26.854 1.00 27.39 C ATOM 874 CG LEU A 95 0.076 14.539 26.202 1.00 27.92 C ATOM 875 CD1 LEU A 95 -0.187 14.729 24.718 1.00 27.21 C ATOM 876 CD2 LEU A 95 0.353 15.883 26.860 1.00 28.41 C ATOM 877 H LEU A 95 -2.665 11.891 28.061 1.00 0.00 H ATOM 878 N ASN A 96 0.689 10.716 26.463 1.00 31.85 N ATOM 879 CA ASN A 96 1.731 9.857 27.024 1.00 35.37 C ATOM 880 C ASN A 96 3.083 10.563 26.939 1.00 36.38 C ATOM 881 O ASN A 96 3.678 10.624 25.862 1.00 37.44 O ATOM 882 CB ASN A 96 1.778 8.520 26.290 1.00 37.26 C ATOM 883 CG ASN A 96 2.694 7.522 26.979 1.00 39.90 C ATOM 884 OD1 ASN A 96 2.503 7.200 28.167 1.00 41.85 O ATOM 885 ND2 ASN A 96 3.695 7.025 26.244 1.00 41.09 N ATOM 886 HD22 ASN A 96 3.813 7.325 25.255 1.00 0.00 H ATOM 887 HD21 ASN A 96 4.355 6.338 26.661 1.00 0.00 H ATOM 888 H ASN A 96 0.473 10.663 25.447 1.00 0.00 H ATOM 889 N LEU A 97 3.530 11.126 28.059 1.00 37.41 N ATOM 890 CA LEU A 97 4.739 11.957 28.105 1.00 38.80 C ATOM 891 C LEU A 97 5.873 11.194 28.763 1.00 41.09 C ATOM 892 O LEU A 97 5.727 10.712 29.875 1.00 43.29 O ATOM 893 CB LEU A 97 4.491 13.266 28.869 1.00 37.73 C ATOM 894 CG LEU A 97 3.618 14.350 28.230 1.00 36.65 C ATOM 895 CD1 LEU A 97 3.549 15.567 29.143 1.00 36.60 C ATOM 896 CD2 LEU A 97 4.117 14.777 26.851 1.00 36.34 C ATOM 897 H LEU A 97 3.000 10.970 28.940 1.00 0.00 H ATOM 898 N ARG A 98 6.986 11.081 28.049 1.00 42.92 N ATOM 899 CA ARG A 98 8.250 10.557 28.564 1.00 44.92 C ATOM 900 C ARG A 98 9.299 11.662 28.450 1.00 44.57 C ATOM 901 O ARG A 98 9.119 12.621 27.692 1.00 42.75 O ATOM 902 CB ARG A 98 8.710 9.360 27.729 1.00 46.58 C ATOM 903 CG ARG A 98 7.751 8.178 27.676 1.00 47.87 C ATOM 904 CD ARG A 98 8.020 7.329 26.432 1.00 49.56 C ATOM 905 NE ARG A 98 7.233 6.085 26.408 1.00 50.52 N ATOM 906 CZ ARG A 98 7.709 4.834 26.499 1.00 52.95 C ATOM 907 NH1 ARG A 98 6.847 3.815 26.463 1.00 53.46 N ATOM 908 NH2 ARG A 98 9.020 4.568 26.616 1.00 54.05 N ATOM 909 HE ARG A 98 6.203 6.186 26.311 1.00 0.00 H ATOM 910 HH12 ARG A 98 7.195 2.837 26.532 1.00 0.00 H ATOM 911 HH11 ARG A 98 5.828 3.999 26.366 1.00 0.00 H ATOM 912 HH22 ARG A 98 9.347 3.583 26.684 1.00 0.00 H ATOM 913 HH21 ARG A 98 9.709 5.347 26.639 1.00 0.00 H ATOM 914 H ARG A 98 6.957 11.386 27.055 1.00 0.00 H ATOM 915 N GLU A 99 10.412 11.513 29.169 1.00 45.71 N ATOM 916 CA GLU A 99 11.530 12.452 29.028 1.00 46.15 C ATOM 917 C GLU A 99 12.030 12.477 27.583 1.00 45.16 C ATOM 918 O GLU A 99 12.354 13.536 27.066 1.00 44.72 O ATOM 919 CB GLU A 99 12.691 12.130 29.973 1.00 48.32 C ATOM 920 CG GLU A 99 13.518 13.366 30.322 1.00 49.80 C ATOM 921 CD GLU A 99 14.937 13.055 30.780 1.00 51.84 C ATOM 922 OE1 GLU A 99 15.606 12.207 30.160 1.00 53.19 O ATOM 923 OE2 GLU A 99 15.400 13.676 31.756 1.00 52.94 O ATOM 924 H GLU A 99 10.488 10.721 29.838 1.00 0.00 H ATOM 925 N GLY A 100 12.051 11.309 26.944 1.00 44.33 N ATOM 926 CA GLY A 100 12.478 11.172 25.561 1.00 43.79 C ATOM 927 C GLY A 100 11.622 11.856 24.504 1.00 41.99 C ATOM 928 O GLY A 100 12.133 12.177 23.432 1.00 42.40 O ATOM 929 H GLY A 100 11.748 10.457 27.457 1.00 0.00 H ATOM 930 N ASN A 101 10.343 12.097 24.782 1.00 39.89 N ATOM 931 CA ASN A 101 9.444 12.708 23.789 1.00 38.46 C ATOM 932 C ASN A 101 8.929 14.120 24.137 1.00 37.05 C ATOM 933 O ASN A 101 8.292 14.753 23.293 1.00 35.81 O ATOM 934 CB ASN A 101 8.259 11.752 23.446 1.00 38.05 C ATOM 935 CG ASN A 101 7.254 11.572 24.585 1.00 37.59 C ATOM 936 OD1 ASN A 101 7.134 12.413 25.474 1.00 37.98 O ATOM 937 ND2 ASN A 101 6.507 10.460 24.553 1.00 37.11 N ATOM 938 HD22 ASN A 101 6.635 9.769 23.786 1.00 0.00 H ATOM 939 HD21 ASN A 101 5.799 10.287 25.295 1.00 0.00 H ATOM 940 H ASN A 101 9.971 11.848 25.721 1.00 0.00 H ATOM 941 N ILE A 102 9.191 14.606 25.351 1.00 36.53 N ATOM 942 CA ILE A 102 8.540 15.832 25.824 1.00 36.04 C ATOM 943 C ILE A 102 8.796 17.035 24.938 1.00 35.53 C ATOM 944 O ILE A 102 7.875 17.817 24.639 1.00 34.23 O ATOM 945 CB ILE A 102 8.900 16.227 27.274 1.00 37.12 C ATOM 946 CG1 ILE A 102 8.154 17.523 27.625 1.00 37.19 C ATOM 947 CG2 ILE A 102 10.406 16.439 27.465 1.00 38.76 C ATOM 948 CD1 ILE A 102 7.739 17.642 29.051 1.00 38.04 C ATOM 949 H ILE A 102 9.864 14.110 25.969 1.00 0.00 H ATOM 950 N MET A 103 10.043 17.189 24.525 1.00 36.13 N ATOM 951 CA MET A 103 10.416 18.324 23.704 1.00 36.33 C ATOM 952 C MET A 103 9.777 18.242 22.329 1.00 34.25 C ATOM 953 O MET A 103 9.308 19.258 21.807 1.00 33.55 O ATOM 954 CB MET A 103 11.937 18.439 23.612 1.00 38.29 C ATOM 955 CG MET A 103 12.569 18.751 24.946 1.00 40.19 C ATOM 956 SD MET A 103 11.966 20.298 25.642 1.00 41.87 S ATOM 957 CE MET A 103 11.834 19.869 27.373 1.00 41.28 C ATOM 958 H MET A 103 10.764 16.488 24.792 1.00 0.00 H ATOM 959 N ALA A 104 9.734 17.039 21.768 1.00 33.42 N ATOM 960 CA ALA A 104 9.032 16.820 20.505 1.00 33.09 C ATOM 961 C ALA A 104 7.495 17.036 20.625 1.00 31.73 C ATOM 962 O ALA A 104 6.873 17.581 19.707 1.00 31.78 O ATOM 963 CB ALA A 104 9.330 15.428 19.972 1.00 33.65 C ATOM 964 H ALA A 104 10.208 16.240 22.235 1.00 0.00 H ATOM 965 N VAL A 105 6.892 16.613 21.733 1.00 30.58 N ATOM 966 CA VAL A 105 5.444 16.824 21.929 1.00 29.63 C ATOM 967 C VAL A 105 5.138 18.315 22.094 1.00 29.25 C ATOM 968 O VAL A 105 4.253 18.850 21.442 1.00 28.39 O ATOM 969 CB VAL A 105 4.899 16.012 23.127 1.00 29.38 C ATOM 970 CG1 VAL A 105 3.456 16.397 23.448 1.00 28.55 C ATOM 971 CG2 VAL A 105 4.993 14.520 22.832 1.00 29.50 C ATOM 972 H VAL A 105 7.446 16.129 22.468 1.00 0.00 H ATOM 973 N MET A 106 5.883 18.969 22.975 1.00 30.27 N ATOM 974 CA MET A 106 5.739 20.414 23.219 1.00 30.68 C ATOM 975 C MET A 106 5.868 21.278 21.960 1.00 29.49 C ATOM 976 O MET A 106 5.049 22.171 21.728 1.00 27.74 O ATOM 977 CB MET A 106 6.784 20.861 24.235 1.00 33.35 C ATOM 978 CG MET A 106 6.485 22.186 24.897 1.00 35.09 C ATOM 979 SD MET A 106 7.239 22.179 26.545 1.00 39.29 S ATOM 980 CE MET A 106 8.947 22.018 26.051 1.00 39.93 C ATOM 981 H MET A 106 6.597 18.440 23.515 1.00 0.00 H ATOM 982 N ALA A 107 6.900 21.006 21.165 1.00 29.05 N ATOM 983 CA ALA A 107 7.165 21.773 19.935 1.00 28.87 C ATOM 984 C ALA A 107 6.063 21.528 18.918 1.00 27.25 C ATOM 985 O ALA A 107 5.623 22.443 18.223 1.00 27.54 O ATOM 986 CB ALA A 107 8.523 21.390 19.348 1.00 29.71 C ATOM 987 H ALA A 107 7.540 20.227 21.420 1.00 0.00 H ATOM 988 N THR A 108 5.620 20.283 18.824 1.00 26.23 N ATOM 989 CA THR A 108 4.513 19.916 17.941 1.00 24.61 C ATOM 990 C THR A 108 3.184 20.559 18.377 1.00 23.45 C ATOM 991 O THR A 108 2.401 20.996 17.543 1.00 22.80 O ATOM 992 CB THR A 108 4.410 18.381 17.812 1.00 24.41 C ATOM 993 OG1 THR A 108 5.722 17.837 17.572 1.00 25.54 O ATOM 994 CG2 THR A 108 3.504 17.988 16.645 1.00 24.00 C ATOM 995 HG1 THR A 108 6.317 18.068 18.328 1.00 0.00 H ATOM 996 H THR A 108 6.074 19.543 19.396 1.00 0.00 H ATOM 997 N ALA A 109 2.949 20.658 19.681 1.00 22.75 N ATOM 998 CA ALA A 109 1.734 21.283 20.190 1.00 22.18 C ATOM 999 C ALA A 109 1.679 22.764 19.912 1.00 22.52 C ATOM 1000 O ALA A 109 0.610 23.304 19.627 1.00 21.98 O ATOM 1001 CB ALA A 109 1.600 21.029 21.681 1.00 22.09 C ATOM 1002 H ALA A 109 3.647 20.281 20.354 1.00 0.00 H ATOM 1003 N MET A 110 2.831 23.430 19.992 1.00 23.49 N ATOM 1004 CA MET A 110 2.926 24.835 19.633 1.00 24.41 C ATOM 1005 C MET A 110 2.543 25.013 18.168 1.00 24.06 C ATOM 1006 O MET A 110 1.783 25.899 17.828 1.00 23.71 O ATOM 1007 CB MET A 110 4.357 25.333 19.822 1.00 26.20 C ATOM 1008 CG MET A 110 4.805 25.429 21.268 1.00 27.51 C ATOM 1009 SD MET A 110 6.570 25.778 21.456 1.00 29.91 S ATOM 1010 CE MET A 110 6.708 27.359 20.636 1.00 30.73 C ATOM 1011 H MET A 110 3.683 22.932 20.320 1.00 0.00 H ATOM 1012 N TYR A 111 3.075 24.139 17.327 1.00 24.16 N ATOM 1013 CA TYR A 111 2.843 24.188 15.885 1.00 24.25 C ATOM 1014 C TYR A 111 1.361 23.901 15.530 1.00 24.13 C ATOM 1015 O TYR A 111 0.770 24.557 14.651 1.00 24.24 O ATOM 1016 CB TYR A 111 3.817 23.227 15.187 1.00 24.36 C ATOM 1017 CG TYR A 111 3.523 23.004 13.718 1.00 24.21 C ATOM 1018 CD1 TYR A 111 3.828 23.966 12.763 1.00 24.94 C ATOM 1019 CD2 TYR A 111 2.906 21.848 13.294 1.00 23.58 C ATOM 1020 CE1 TYR A 111 3.546 23.757 11.412 1.00 24.94 C ATOM 1021 CE2 TYR A 111 2.634 21.628 11.954 1.00 23.78 C ATOM 1022 CZ TYR A 111 2.945 22.582 11.024 1.00 24.31 C ATOM 1023 OH TYR A 111 2.650 22.330 9.702 1.00 24.90 O ATOM 1024 HH TYR A 111 2.929 23.103 9.150 1.00 0.00 H ATOM 1025 H TYR A 111 3.683 23.387 17.709 1.00 0.00 H ATOM 1026 N LEU A 112 0.753 22.957 16.242 1.00 24.24 N ATOM 1027 CA LEU A 112 -0.689 22.697 16.089 1.00 24.04 C ATOM 1028 C LEU A 112 -1.600 23.738 16.774 1.00 24.47 C ATOM 1029 O LEU A 112 -2.782 23.670 16.607 1.00 24.53 O ATOM 1030 CB LEU A 112 -1.042 21.280 16.552 1.00 23.40 C ATOM 1031 CG LEU A 112 -0.292 20.165 15.821 1.00 23.51 C ATOM 1032 CD1 LEU A 112 -0.643 18.811 16.412 1.00 23.15 C ATOM 1033 CD2 LEU A 112 -0.598 20.170 14.327 1.00 23.63 C ATOM 1034 H LEU A 112 1.305 22.392 16.919 1.00 0.00 H ATOM 1035 N GLN A 113 -1.044 24.705 17.498 1.00 25.82 N ATOM 1036 CA GLN A 113 -1.803 25.724 18.220 1.00 26.56 C ATOM 1037 C GLN A 113 -2.684 25.104 19.297 1.00 26.03 C ATOM 1038 O GLN A 113 -3.902 25.339 19.350 1.00 27.03 O ATOM 1039 CB GLN A 113 -2.610 26.629 17.290 1.00 27.03 C ATOM 1040 CG GLN A 113 -1.772 27.386 16.279 1.00 28.55 C ATOM 1041 CD GLN A 113 -2.614 27.923 15.147 1.00 29.12 C ATOM 1042 OE1 GLN A 113 -3.787 28.247 15.336 1.00 29.62 O ATOM 1043 NE2 GLN A 113 -2.027 28.013 13.963 1.00 29.77 N ATOM 1044 HE22 GLN A 113 -1.033 27.727 13.852 1.00 0.00 H ATOM 1045 HE21 GLN A 113 -2.560 28.370 13.144 1.00 0.00 H ATOM 1046 H GLN A 113 -0.006 24.738 17.554 1.00 0.00 H ATOM 1047 N MET A 114 -2.055 24.300 20.142 1.00 25.27 N ATOM 1048 CA MET A 114 -2.736 23.656 21.245 1.00 24.52 C ATOM 1049 C MET A 114 -2.033 24.122 22.527 1.00 24.80 C ATOM 1050 O MET A 114 -1.337 23.353 23.172 1.00 23.95 O ATOM 1051 CB MET A 114 -2.730 22.122 21.071 1.00 24.22 C ATOM 1052 CG MET A 114 -3.356 21.597 19.762 1.00 24.18 C ATOM 1053 SD MET A 114 -3.100 19.827 19.431 1.00 24.74 S ATOM 1054 CE MET A 114 -3.898 19.019 20.791 1.00 24.16 C ATOM 1055 H MET A 114 -1.038 24.126 20.008 1.00 0.00 H ATOM 1056 N GLU A 115 -2.237 25.392 22.873 1.00 25.76 N ATOM 1057 CA GLU A 115 -1.477 26.032 23.967 1.00 27.47 C ATOM 1058 C GLU A 115 -1.682 25.310 25.293 1.00 25.99 C ATOM 1059 O GLU A 115 -0.771 25.259 26.091 1.00 26.32 O ATOM 1060 CB GLU A 115 -1.801 27.529 24.208 1.00 29.97 C ATOM 1061 CG GLU A 115 -2.311 28.381 23.054 1.00 32.12 C ATOM 1062 CD GLU A 115 -1.476 28.324 21.795 1.00 33.98 C ATOM 1063 OE1 GLU A 115 -1.025 27.225 21.407 1.00 36.02 O ATOM 1064 OE2 GLU A 115 -1.288 29.392 21.157 1.00 36.87 O ATOM 1065 H GLU A 115 -2.950 25.948 22.360 1.00 0.00 H ATOM 1066 N HIS A 116 -2.890 24.793 25.541 1.00 24.31 N ATOM 1067 CA HIS A 116 -3.198 24.109 26.810 1.00 23.38 C ATOM 1068 C HIS A 116 -2.381 22.826 26.954 1.00 22.96 C ATOM 1069 O HIS A 116 -2.070 22.401 28.085 1.00 23.00 O ATOM 1070 CB HIS A 116 -4.724 23.848 26.981 1.00 22.36 C ATOM 1071 CG HIS A 116 -5.237 22.640 26.260 1.00 21.43 C ATOM 1072 ND1 HIS A 116 -5.247 22.537 24.882 1.00 21.15 N ATOM 1073 CD2 HIS A 116 -5.791 21.497 26.718 1.00 21.04 C ATOM 1074 CE1 HIS A 116 -5.769 21.378 24.528 1.00 20.50 C ATOM 1075 NE2 HIS A 116 -6.108 20.727 25.623 1.00 20.55 N ATOM 1076 H HIS A 116 -3.633 24.876 24.818 1.00 0.00 H ATOM 1077 N VAL A 117 -2.018 22.212 25.825 1.00 22.29 N ATOM 1078 CA VAL A 117 -1.116 21.051 25.872 1.00 22.71 C ATOM 1079 C VAL A 117 0.308 21.506 26.180 1.00 23.47 C ATOM 1080 O VAL A 117 0.974 20.890 26.998 1.00 24.47 O ATOM 1081 CB VAL A 117 -1.178 20.179 24.606 1.00 22.24 C ATOM 1082 CG1 VAL A 117 -0.133 19.054 24.658 1.00 22.62 C ATOM 1083 CG2 VAL A 117 -2.572 19.598 24.464 1.00 21.30 C ATOM 1084 H VAL A 117 -2.374 22.556 24.910 1.00 0.00 H ATOM 1085 N VAL A 118 0.725 22.606 25.570 1.00 23.92 N ATOM 1086 CA VAL A 118 2.034 23.218 25.831 1.00 25.28 C ATOM 1087 C VAL A 118 2.113 23.618 27.317 1.00 26.53 C ATOM 1088 O VAL A 118 3.109 23.345 27.974 1.00 27.44 O ATOM 1089 CB VAL A 118 2.291 24.438 24.928 1.00 25.43 C ATOM 1090 CG1 VAL A 118 3.634 25.090 25.266 1.00 26.39 C ATOM 1091 CG2 VAL A 118 2.237 24.059 23.441 1.00 24.82 C ATOM 1092 H VAL A 118 0.096 23.056 24.875 1.00 0.00 H ATOM 1093 N ASP A 119 1.045 24.242 27.832 1.00 27.32 N ATOM 1094 CA ASP A 119 0.930 24.579 29.263 1.00 28.64 C ATOM 1095 C ASP A 119 1.157 23.354 30.136 1.00 28.37 C ATOM 1096 O ASP A 119 1.803 23.452 31.179 1.00 28.88 O ATOM 1097 CB ASP A 119 -0.471 25.136 29.594 1.00 29.65 C ATOM 1098 CG ASP A 119 -0.671 26.588 29.158 1.00 31.45 C ATOM 1099 OD1 ASP A 119 0.317 27.323 28.933 1.00 33.43 O ATOM 1100 OD2 ASP A 119 -1.856 27.006 29.066 1.00 32.55 O ATOM 1101 H ASP A 119 0.264 24.500 27.195 1.00 0.00 H ATOM 1102 N THR A 120 0.585 22.216 29.733 1.00 27.43 N ATOM 1103 CA THR A 120 0.735 20.970 30.483 1.00 27.67 C ATOM 1104 C THR A 120 2.181 20.427 30.425 1.00 28.82 C ATOM 1105 O THR A 120 2.735 20.027 31.448 1.00 28.67 O ATOM 1106 CB THR A 120 -0.286 19.922 30.035 1.00 26.70 C ATOM 1107 OG1 THR A 120 -1.612 20.480 30.147 1.00 26.29 O ATOM 1108 CG2 THR A 120 -0.187 18.651 30.879 1.00 26.72 C ATOM 1109 HG1 THR A 120 -1.681 21.282 29.571 1.00 0.00 H ATOM 1110 H THR A 120 0.017 22.216 28.862 1.00 0.00 H ATOM 1111 N CYS A 121 2.792 20.430 29.239 1.00 29.34 N ATOM 1112 CA CYS A 121 4.199 20.039 29.113 1.00 30.63 C ATOM 1113 C CYS A 121 5.120 20.904 29.999 1.00 32.25 C ATOM 1114 O CYS A 121 6.116 20.415 30.542 1.00 33.04 O ATOM 1115 CB CYS A 121 4.641 20.120 27.658 1.00 30.76 C ATOM 1116 SG CYS A 121 3.766 18.990 26.555 1.00 30.43 S ATOM 1117 H CYS A 121 2.262 20.714 28.391 1.00 0.00 H ATOM 1118 N ARG A 122 4.785 22.186 30.136 1.00 32.90 N ATOM 1119 CA ARG A 122 5.511 23.073 31.026 1.00 34.79 C ATOM 1120 C ARG A 122 5.310 22.653 32.497 1.00 35.46 C ATOM 1121 O ARG A 122 6.257 22.700 33.271 1.00 35.91 O ATOM 1122 CB ARG A 122 5.087 24.520 30.790 1.00 35.73 C ATOM 1123 CG ARG A 122 5.823 25.554 31.619 1.00 38.01 C ATOM 1124 CD ARG A 122 5.001 26.820 31.779 1.00 38.99 C ATOM 1125 NE ARG A 122 5.017 27.611 30.553 1.00 39.25 N ATOM 1126 CZ ARG A 122 5.769 28.689 30.326 1.00 40.67 C ATOM 1127 NH1 ARG A 122 6.622 29.159 31.237 1.00 42.30 N ATOM 1128 NH2 ARG A 122 5.671 29.309 29.148 1.00 40.90 N ATOM 1129 HE ARG A 122 4.384 27.306 29.786 1.00 0.00 H ATOM 1130 HH12 ARG A 122 7.194 30.002 31.028 1.00 0.00 H ATOM 1131 HH11 ARG A 122 6.715 28.682 32.157 1.00 0.00 H ATOM 1132 HH22 ARG A 122 6.250 30.151 28.954 1.00 0.00 H ATOM 1133 HH21 ARG A 122 5.016 28.950 28.424 1.00 0.00 H ATOM 1134 H ARG A 122 3.982 22.561 29.591 1.00 0.00 H ATOM 1135 N LYS A 123 4.098 22.237 32.878 1.00 34.99 N ATOM 1136 CA LYS A 123 3.869 21.696 34.240 1.00 36.08 C ATOM 1137 C LYS A 123 4.638 20.389 34.456 1.00 36.61 C ATOM 1138 O LYS A 123 5.210 20.176 35.522 1.00 36.50 O ATOM 1139 CB LYS A 123 2.383 21.489 34.532 1.00 35.68 C ATOM 1140 CG LYS A 123 1.591 22.775 34.652 1.00 36.21 C ATOM 1141 CD LYS A 123 0.108 22.504 34.942 1.00 36.35 C ATOM 1142 CE LYS A 123 -0.820 23.492 34.229 1.00 36.32 C ATOM 1143 NZ LYS A 123 -0.351 24.910 34.371 1.00 37.92 N ATOM 1144 HZ1 LYS A 123 -0.319 25.164 35.379 1.00 0.00 H ATOM 1145 HZ2 LYS A 123 0.599 25.002 33.959 1.00 0.00 H ATOM 1146 HZ3 LYS A 123 -1.009 25.543 33.873 1.00 0.00 H ATOM 1147 H LYS A 123 3.304 22.294 32.209 1.00 0.00 H ATOM 1148 N PHE A 124 4.677 19.545 33.426 1.00 36.90 N ATOM 1149 CA PHE A 124 5.510 18.336 33.419 1.00 38.46 C ATOM 1150 C PHE A 124 7.004 18.635 33.607 1.00 39.35 C ATOM 1151 O PHE A 124 7.694 17.915 34.328 1.00 39.98 O ATOM 1152 CB PHE A 124 5.306 17.551 32.116 1.00 38.49 C ATOM 1153 CG PHE A 124 6.008 16.212 32.086 1.00 39.95 C ATOM 1154 CD1 PHE A 124 7.355 16.120 31.768 1.00 41.74 C ATOM 1155 CD2 PHE A 124 5.308 15.036 32.355 1.00 40.33 C ATOM 1156 CE1 PHE A 124 8.002 14.894 31.729 1.00 42.79 C ATOM 1157 CE2 PHE A 124 5.945 13.805 32.306 1.00 41.10 C ATOM 1158 CZ PHE A 124 7.295 13.735 31.999 1.00 42.31 C ATOM 1159 H PHE A 124 4.092 19.751 32.591 1.00 0.00 H ATOM 1160 N ILE A 125 7.496 19.678 32.945 1.00 39.79 N ATOM 1161 CA ILE A 125 8.895 20.127 33.112 1.00 41.62 C ATOM 1162 C ILE A 125 9.130 20.597 34.555 1.00 43.55 C ATOM 1163 O ILE A 125 10.177 20.321 35.148 1.00 44.76 O ATOM 1164 CB ILE A 125 9.265 21.205 32.067 1.00 41.42 C ATOM 1165 CG1 ILE A 125 9.421 20.528 30.692 1.00 40.77 C ATOM 1166 CG2 ILE A 125 10.552 21.951 32.430 1.00 43.12 C ATOM 1167 CD1 ILE A 125 9.577 21.476 29.526 1.00 40.79 C ATOM 1168 H ILE A 125 6.877 20.195 32.288 1.00 0.00 H ATOM 1169 N LYS A 126 8.119 21.253 35.120 1.00 44.23 N ATOM 1170 CA LYS A 126 8.188 21.802 36.475 1.00 45.83 C ATOM 1171 C LYS A 126 8.172 20.739 37.572 1.00 47.09 C ATOM 1172 O LYS A 126 8.674 20.985 38.665 1.00 47.79 O ATOM 1173 CB LYS A 126 7.037 22.785 36.686 1.00 45.99 C ATOM 1174 CG LYS A 126 7.373 24.010 37.516 1.00 47.98 C ATOM 1175 CD LYS A 126 6.596 25.202 36.977 1.00 48.37 C ATOM 1176 CE LYS A 126 6.759 26.441 37.835 1.00 50.52 C ATOM 1177 NZ LYS A 126 6.447 27.658 37.028 1.00 51.03 N ATOM 1178 HZ1 LYS A 126 7.097 27.711 36.218 1.00 0.00 H ATOM 1179 HZ2 LYS A 126 5.467 27.603 36.684 1.00 0.00 H ATOM 1180 HZ3 LYS A 126 6.560 28.504 37.621 1.00 0.00 H ATOM 1181 H LYS A 126 7.242 21.381 34.575 1.00 0.00 H ATOM 1182 N ALA A 127 7.564 19.585 37.293 1.00 47.05 N ATOM 1183 CA ALA A 127 7.526 18.452 38.225 1.00 48.11 C ATOM 1184 C ALA A 127 8.627 17.421 37.954 1.00 49.56 C ATOM 1185 O ALA A 127 8.848 16.533 38.776 1.00 51.44 O ATOM 1186 CB ALA A 127 6.158 17.780 38.167 1.00 47.09 C ATOM 1187 H ALA A 127 7.094 19.483 36.371 1.00 0.00 H ATOM 1188 N SER A 128 9.303 17.526 36.812 1.00 49.85 N ATOM 1189 CA SER A 128 10.402 16.624 36.459 1.00 51.40 C ATOM 1190 C SER A 128 11.695 17.418 36.341 1.00 52.19 C ATOM 1191 O SER A 128 12.695 17.078 36.959 1.00 53.31 O ATOM 1192 CB SER A 128 10.112 15.915 35.135 1.00 50.85 C ATOM 1193 OG SER A 128 8.806 15.368 35.128 1.00 50.38 O ATOM 1194 HG SER A 128 8.145 16.094 35.251 1.00 0.00 H ATOM 1195 H SER A 128 9.040 18.278 36.144 1.00 0.00 H TER 1196 SER A 128 ATOM 1197 N SER B 7 2.156 6.300 34.307 1.00 51.51 N ATOM 1198 CA SER B 7 3.016 7.007 33.306 1.00 51.03 C ATOM 1199 C SER B 7 2.293 8.187 32.618 1.00 48.47 C ATOM 1200 O SER B 7 2.872 9.271 32.425 1.00 48.42 O ATOM 1201 CB SER B 7 3.522 6.006 32.246 1.00 52.40 C ATOM 1202 OG SER B 7 2.498 5.636 31.318 1.00 52.47 O ATOM 1203 HG SER B 7 2.867 4.995 30.659 1.00 0.00 H ATOM 1204 HN3 SER B 7 1.312 5.921 33.831 1.00 0.00 H ATOM 1205 HN2 SER B 7 1.866 6.970 35.048 1.00 0.00 H ATOM 1206 HN1 SER B 7 2.694 5.520 34.735 1.00 0.00 H ATOM 1207 N CYS B 8 1.023 7.966 32.279 1.00 44.16 N ATOM 1208 CA CYS B 8 0.309 8.778 31.312 1.00 40.23 C ATOM 1209 C CYS B 8 -0.591 9.845 31.945 1.00 36.75 C ATOM 1210 O CYS B 8 -1.032 9.703 33.091 1.00 36.34 O ATOM 1211 CB CYS B 8 -0.527 7.846 30.446 1.00 40.69 C ATOM 1212 SG CYS B 8 -1.489 8.686 29.184 1.00 41.84 S ATOM 1213 H CYS B 8 0.520 7.174 32.729 1.00 0.00 H ATOM 1214 N ILE B 9 -0.866 10.901 31.173 1.00 32.63 N ATOM 1215 CA ILE B 9 -1.685 12.020 31.620 1.00 30.43 C ATOM 1216 C ILE B 9 -3.013 12.038 30.876 1.00 27.85 C ATOM 1217 O ILE B 9 -3.033 12.036 29.614 1.00 27.49 O ATOM 1218 CB ILE B 9 -0.946 13.365 31.456 1.00 30.71 C ATOM 1219 CG1 ILE B 9 0.285 13.389 32.362 1.00 32.21 C ATOM 1220 CG2 ILE B 9 -1.872 14.533 31.809 1.00 30.22 C ATOM 1221 CD1 ILE B 9 1.190 14.583 32.137 1.00 32.75 C ATOM 1222 H ILE B 9 -0.477 10.925 30.209 1.00 0.00 H ATOM 1223 N GLN B 10 -4.116 12.033 31.623 1.00 25.36 N ATOM 1224 CA GLN B 10 -5.446 12.081 31.025 1.00 23.56 C ATOM 1225 C GLN B 10 -6.184 13.395 31.298 1.00 22.04 C ATOM 1226 O GLN B 10 -6.341 13.816 32.448 1.00 21.35 O ATOM 1227 CB GLN B 10 -6.286 10.888 31.451 1.00 24.04 C ATOM 1228 CG GLN B 10 -7.644 10.843 30.749 1.00 24.05 C ATOM 1229 CD GLN B 10 -8.310 9.489 30.801 1.00 24.77 C ATOM 1230 OE1 GLN B 10 -7.652 8.455 30.789 1.00 26.12 O ATOM 1231 NE2 GLN B 10 -9.630 9.489 30.851 1.00 25.09 N ATOM 1232 HE22 GLN B 10 -10.150 10.390 30.859 1.00 0.00 H ATOM 1233 HE21 GLN B 10 -10.149 8.588 30.882 1.00 0.00 H ATOM 1234 H GLN B 10 -4.027 11.994 32.658 1.00 0.00 H ATOM 1235 N PHE B 11 -6.684 14.001 30.217 1.00 19.97 N ATOM 1236 CA PHE B 11 -7.321 15.318 30.255 1.00 19.26 C ATOM 1237 C PHE B 11 -8.827 15.115 30.452 1.00 18.88 C ATOM 1238 O PHE B 11 -9.514 14.696 29.528 1.00 18.44 O ATOM 1239 CB PHE B 11 -7.062 16.084 28.926 1.00 18.41 C ATOM 1240 CG PHE B 11 -5.649 16.623 28.780 1.00 18.26 C ATOM 1241 CD1 PHE B 11 -4.526 15.768 28.790 1.00 18.43 C ATOM 1242 CD2 PHE B 11 -5.445 17.974 28.587 1.00 18.21 C ATOM 1243 CE1 PHE B 11 -3.222 16.278 28.615 1.00 19.00 C ATOM 1244 CE2 PHE B 11 -4.159 18.487 28.423 1.00 18.80 C ATOM 1245 CZ PHE B 11 -3.044 17.635 28.418 1.00 19.02 C ATOM 1246 H PHE B 11 -6.617 13.512 29.302 1.00 0.00 H ATOM 1247 N THR B 12 -9.330 15.375 31.664 1.00 19.49 N ATOM 1248 CA THR B 12 -10.725 15.049 31.994 1.00 19.26 C ATOM 1249 C THR B 12 -11.793 15.912 31.260 1.00 19.44 C ATOM 1250 O THR B 12 -12.959 15.486 31.146 1.00 19.31 O ATOM 1251 CB THR B 12 -10.964 15.109 33.523 1.00 19.73 C ATOM 1252 OG1 THR B 12 -10.657 16.416 33.993 1.00 20.32 O ATOM 1253 CG2 THR B 12 -10.111 14.118 34.236 1.00 20.03 C ATOM 1254 HG1 THR B 12 -10.809 16.458 34.970 1.00 0.00 H ATOM 1255 H THR B 12 -8.724 15.815 32.385 1.00 0.00 H ATOM 1256 N ARG B 13 -11.424 17.114 30.809 1.00 20.13 N ATOM 1257 CA ARG B 13 -12.335 18.004 30.054 1.00 20.50 C ATOM 1258 C ARG B 13 -12.160 17.842 28.534 1.00 19.17 C ATOM 1259 O ARG B 13 -12.890 18.465 27.757 1.00 18.45 O ATOM 1260 CB ARG B 13 -12.082 19.473 30.370 1.00 22.59 C ATOM 1261 CG ARG B 13 -12.526 19.961 31.733 1.00 25.62 C ATOM 1262 CD ARG B 13 -12.460 21.495 31.734 1.00 27.90 C ATOM 1263 NE ARG B 13 -12.248 22.073 33.063 1.00 30.76 N ATOM 1264 CZ ARG B 13 -13.173 22.222 34.013 1.00 32.26 C ATOM 1265 NH1 ARG B 13 -12.830 22.778 35.165 1.00 33.58 N ATOM 1266 NH2 ARG B 13 -14.433 21.819 33.837 1.00 33.38 N ATOM 1267 HE ARG B 13 -11.286 22.398 33.287 1.00 0.00 H ATOM 1268 HH12 ARG B 13 -13.540 22.901 35.915 1.00 0.00 H ATOM 1269 HH11 ARG B 13 -11.851 23.092 35.320 1.00 0.00 H ATOM 1270 HH22 ARG B 13 -15.131 21.949 34.597 1.00 0.00 H ATOM 1271 HH21 ARG B 13 -14.717 21.375 32.940 1.00 0.00 H ATOM 1272 H ARG B 13 -10.454 17.439 30.996 1.00 0.00 H ATOM 1273 N HIS B 14 -11.191 17.046 28.106 1.00 18.07 N ATOM 1274 CA HIS B 14 -10.904 16.973 26.666 1.00 17.29 C ATOM 1275 C HIS B 14 -12.093 16.536 25.787 1.00 16.95 C ATOM 1276 O HIS B 14 -12.414 17.190 24.801 1.00 17.28 O ATOM 1277 CB HIS B 14 -9.738 16.058 26.392 1.00 17.11 C ATOM 1278 CG HIS B 14 -9.473 15.898 24.930 1.00 16.42 C ATOM 1279 ND1 HIS B 14 -9.027 16.935 24.147 1.00 16.80 N ATOM 1280 CD2 HIS B 14 -9.626 14.841 24.115 1.00 16.10 C ATOM 1281 CE1 HIS B 14 -8.888 16.513 22.901 1.00 16.40 C ATOM 1282 NE2 HIS B 14 -9.274 15.250 22.853 1.00 16.29 N ATOM 1283 H HIS B 14 -10.640 16.479 28.781 1.00 0.00 H ATOM 1284 N ALA B 15 -12.718 15.425 26.142 1.00 16.43 N ATOM 1285 CA ALA B 15 -13.835 14.911 25.376 1.00 16.30 C ATOM 1286 C ALA B 15 -15.021 15.907 25.300 1.00 16.57 C ATOM 1287 O ALA B 15 -15.542 16.153 24.204 1.00 16.00 O ATOM 1288 CB ALA B 15 -14.260 13.559 25.897 1.00 16.04 C ATOM 1289 H ALA B 15 -12.401 14.910 26.988 1.00 0.00 H ATOM 1290 N SER B 16 -15.380 16.534 26.419 1.00 16.92 N ATOM 1291 CA SER B 16 -16.429 17.568 26.403 1.00 17.69 C ATOM 1292 C SER B 16 -16.041 18.808 25.581 1.00 17.71 C ATOM 1293 O SER B 16 -16.891 19.393 24.874 1.00 16.71 O ATOM 1294 CB SER B 16 -16.867 17.958 27.831 1.00 18.79 C ATOM 1295 OG SER B 16 -15.765 18.389 28.586 1.00 20.54 O ATOM 1296 HG SER B 16 -15.099 17.658 28.643 1.00 0.00 H ATOM 1297 H SER B 16 -14.913 16.290 27.316 1.00 0.00 H ATOM 1298 N ASP B 17 -14.757 19.188 25.625 1.00 17.60 N ATOM 1299 CA ASP B 17 -14.289 20.310 24.803 1.00 18.17 C ATOM 1300 C ASP B 17 -14.327 19.974 23.302 1.00 17.70 C ATOM 1301 O ASP B 17 -14.648 20.848 22.497 1.00 17.69 O ATOM 1302 CB ASP B 17 -12.884 20.817 25.247 1.00 18.81 C ATOM 1303 CG ASP B 17 -12.929 21.560 26.616 1.00 19.85 C ATOM 1304 OD1 ASP B 17 -14.012 22.089 26.974 1.00 20.35 O ATOM 1305 OD2 ASP B 17 -11.881 21.635 27.306 1.00 20.72 O ATOM 1306 H ASP B 17 -14.089 18.686 26.244 1.00 0.00 H ATOM 1307 N VAL B 18 -14.037 18.724 22.938 1.00 17.39 N ATOM 1308 CA VAL B 18 -14.109 18.294 21.531 1.00 17.69 C ATOM 1309 C VAL B 18 -15.556 18.396 21.091 1.00 17.72 C ATOM 1310 O VAL B 18 -15.851 18.945 20.035 1.00 17.58 O ATOM 1311 CB VAL B 18 -13.631 16.838 21.317 1.00 17.34 C ATOM 1312 CG1 VAL B 18 -14.059 16.304 19.957 1.00 17.61 C ATOM 1313 CG2 VAL B 18 -12.120 16.734 21.493 1.00 17.75 C ATOM 1314 H VAL B 18 -13.753 18.037 23.665 1.00 0.00 H ATOM 1315 N LEU B 19 -16.445 17.873 21.933 1.00 18.17 N ATOM 1316 CA LEU B 19 -17.870 17.883 21.653 1.00 18.51 C ATOM 1317 C LEU B 19 -18.406 19.307 21.548 1.00 18.84 C ATOM 1318 O LEU B 19 -19.159 19.574 20.605 1.00 18.92 O ATOM 1319 CB LEU B 19 -18.663 17.067 22.678 1.00 18.80 C ATOM 1320 CG LEU B 19 -20.154 16.882 22.317 1.00 19.42 C ATOM 1321 CD1 LEU B 19 -20.293 15.815 21.238 1.00 19.42 C ATOM 1322 CD2 LEU B 19 -21.000 16.513 23.522 1.00 19.90 C ATOM 1323 H LEU B 19 -16.108 17.444 22.819 1.00 0.00 H ATOM 1324 N LEU B 20 -18.005 20.218 22.454 1.00 18.98 N ATOM 1325 CA LEU B 20 -18.408 21.645 22.340 1.00 19.50 C ATOM 1326 C LEU B 20 -18.047 22.206 20.931 1.00 19.23 C ATOM 1327 O LEU B 20 -18.874 22.787 20.231 1.00 19.11 O ATOM 1328 CB LEU B 20 -17.781 22.540 23.426 1.00 20.19 C ATOM 1329 CG LEU B 20 -18.345 22.575 24.878 1.00 21.08 C ATOM 1330 CD1 LEU B 20 -17.522 23.496 25.777 1.00 21.58 C ATOM 1331 CD2 LEU B 20 -19.800 23.027 24.947 1.00 21.82 C ATOM 1332 H LEU B 20 -17.403 19.919 23.247 1.00 0.00 H ATOM 1333 N ASN B 21 -16.800 22.009 20.543 1.00 18.49 N ATOM 1334 CA ASN B 21 -16.318 22.492 19.258 1.00 18.53 C ATOM 1335 C ASN B 21 -16.963 21.845 18.043 1.00 18.19 C ATOM 1336 O ASN B 21 -17.101 22.509 17.009 1.00 18.62 O ATOM 1337 CB ASN B 21 -14.802 22.327 19.159 1.00 18.61 C ATOM 1338 CG ASN B 21 -14.036 23.469 19.806 1.00 19.25 C ATOM 1339 OD1 ASN B 21 -14.542 24.584 19.965 1.00 19.93 O ATOM 1340 ND2 ASN B 21 -12.777 23.199 20.141 1.00 19.47 N ATOM 1341 HD22 ASN B 21 -12.392 22.245 19.989 1.00 0.00 H ATOM 1342 HD21 ASN B 21 -12.178 23.942 20.555 1.00 0.00 H ATOM 1343 H ASN B 21 -16.148 21.497 21.170 1.00 0.00 H ATOM 1344 N LEU B 22 -17.312 20.564 18.150 1.00 17.27 N ATOM 1345 CA LEU B 22 -18.072 19.893 17.110 1.00 17.13 C ATOM 1346 C LEU B 22 -19.455 20.511 16.936 1.00 17.47 C ATOM 1347 O LEU B 22 -19.913 20.689 15.800 1.00 17.18 O ATOM 1348 CB LEU B 22 -18.183 18.393 17.375 1.00 16.51 C ATOM 1349 CG LEU B 22 -16.889 17.586 17.187 1.00 16.35 C ATOM 1350 CD1 LEU B 22 -17.057 16.203 17.796 1.00 16.27 C ATOM 1351 CD2 LEU B 22 -16.491 17.501 15.721 1.00 16.32 C ATOM 1352 H LEU B 22 -17.034 20.031 18.999 1.00 0.00 H ATOM 1353 N ASN B 23 -20.085 20.869 18.056 1.00 17.63 N ATOM 1354 CA ASN B 23 -21.359 21.560 18.034 1.00 18.56 C ATOM 1355 C ASN B 23 -21.246 22.970 17.450 1.00 19.39 C ATOM 1356 O ASN B 23 -22.154 23.421 16.738 1.00 19.97 O ATOM 1357 CB ASN B 23 -21.994 21.602 19.438 1.00 19.05 C ATOM 1358 CG ASN B 23 -23.481 21.852 19.382 1.00 19.78 C ATOM 1359 OD1 ASN B 23 -24.130 21.535 18.395 1.00 20.53 O ATOM 1360 ND2 ASN B 23 -24.019 22.430 20.412 1.00 20.47 N ATOM 1361 HD22 ASN B 23 -23.431 22.683 21.232 1.00 0.00 H ATOM 1362 HD21 ASN B 23 -25.038 22.640 20.418 1.00 0.00 H ATOM 1363 H ASN B 23 -19.649 20.645 18.973 1.00 0.00 H ATOM 1364 N ARG B 24 -20.129 23.654 17.725 1.00 19.64 N ATOM 1365 CA ARG B 24 -19.875 24.967 17.150 1.00 20.94 C ATOM 1366 C ARG B 24 -19.673 24.825 15.639 1.00 20.92 C ATOM 1367 O ARG B 24 -20.136 25.679 14.882 1.00 21.41 O ATOM 1368 CB ARG B 24 -18.674 25.673 17.788 1.00 21.66 C ATOM 1369 CG ARG B 24 -18.835 25.984 19.282 1.00 22.71 C ATOM 1370 CD ARG B 24 -17.738 26.900 19.851 1.00 23.79 C ATOM 1371 NE ARG B 24 -17.824 28.246 19.275 1.00 25.38 N ATOM 1372 CZ ARG B 24 -18.638 29.234 19.667 1.00 26.77 C ATOM 1373 NH1 ARG B 24 -18.599 30.401 19.007 1.00 28.07 N ATOM 1374 NH2 ARG B 24 -19.462 29.106 20.719 1.00 26.49 N ATOM 1375 HE ARG B 24 -17.187 28.455 18.480 1.00 0.00 H ATOM 1376 HH12 ARG B 24 -19.223 31.182 19.294 1.00 0.00 H ATOM 1377 HH11 ARG B 24 -17.945 30.525 18.208 1.00 0.00 H ATOM 1378 HH22 ARG B 24 -20.080 29.896 20.994 1.00 0.00 H ATOM 1379 HH21 ARG B 24 -19.482 28.217 21.259 1.00 0.00 H ATOM 1380 H ARG B 24 -19.424 23.237 18.366 1.00 0.00 H ATOM 1381 N LEU B 25 -18.995 23.758 15.207 1.00 20.45 N ATOM 1382 CA LEU B 25 -18.883 23.474 13.740 1.00 20.58 C ATOM 1383 C LEU B 25 -20.280 23.252 13.121 1.00 21.32 C ATOM 1384 O LEU B 25 -20.577 23.780 12.030 1.00 21.96 O ATOM 1385 CB LEU B 25 -17.966 22.262 13.435 1.00 19.63 C ATOM 1386 CG LEU B 25 -16.462 22.301 13.777 1.00 19.43 C ATOM 1387 CD1 LEU B 25 -15.816 20.948 13.550 1.00 18.94 C ATOM 1388 CD2 LEU B 25 -15.707 23.352 13.013 1.00 20.01 C ATOM 1389 H LEU B 25 -18.542 23.121 15.893 1.00 0.00 H ATOM 1390 N ARG B 26 -21.137 22.486 13.800 1.00 21.28 N ATOM 1391 CA ARG B 26 -22.477 22.241 13.286 1.00 21.96 C ATOM 1392 C ARG B 26 -23.226 23.562 13.163 1.00 22.91 C ATOM 1393 O ARG B 26 -23.772 23.864 12.104 1.00 23.38 O ATOM 1394 CB ARG B 26 -23.251 21.254 14.149 1.00 21.89 C ATOM 1395 CG ARG B 26 -24.656 20.958 13.603 1.00 22.62 C ATOM 1396 CD ARG B 26 -25.386 19.938 14.430 1.00 22.51 C ATOM 1397 NE ARG B 26 -25.695 20.373 15.809 1.00 22.94 N ATOM 1398 CZ ARG B 26 -26.912 20.472 16.363 1.00 23.59 C ATOM 1399 NH1 ARG B 26 -28.022 20.225 15.673 1.00 24.32 N ATOM 1400 NH2 ARG B 26 -27.024 20.842 17.642 1.00 23.52 N ATOM 1401 HE ARG B 26 -24.886 20.628 16.411 1.00 0.00 H ATOM 1402 HH12 ARG B 26 -28.951 20.311 16.133 1.00 0.00 H ATOM 1403 HH11 ARG B 26 -27.961 19.946 14.673 1.00 0.00 H ATOM 1404 HH22 ARG B 26 -27.964 20.921 18.080 1.00 0.00 H ATOM 1405 HH21 ARG B 26 -26.171 21.051 18.200 1.00 0.00 H ATOM 1406 H ARG B 26 -20.845 22.061 14.703 1.00 0.00 H ATOM 1407 N SER B 27 -23.208 24.363 14.213 1.00 23.35 N ATOM 1408 CA SER B 27 -23.895 25.660 14.228 1.00 25.11 C ATOM 1409 C SER B 27 -23.478 26.655 13.139 1.00 26.35 C ATOM 1410 O SER B 27 -24.314 27.443 12.671 1.00 26.84 O ATOM 1411 CB SER B 27 -23.740 26.333 15.607 1.00 25.64 C ATOM 1412 OG SER B 27 -24.013 27.718 15.524 1.00 27.11 O ATOM 1413 HG SER B 27 -23.381 28.140 14.890 1.00 0.00 H ATOM 1414 H SER B 27 -22.687 24.063 15.062 1.00 0.00 H ATOM 1415 N ARG B 28 -22.197 26.630 12.772 1.00 26.50 N ATOM 1416 CA ARG B 28 -21.628 27.470 11.703 1.00 28.05 C ATOM 1417 C ARG B 28 -21.730 26.797 10.329 1.00 27.57 C ATOM 1418 O ARG B 28 -21.314 27.373 9.320 1.00 27.35 O ATOM 1419 CB ARG B 28 -20.142 27.761 11.992 1.00 28.98 C ATOM 1420 CG ARG B 28 -19.836 28.397 13.356 1.00 30.42 C ATOM 1421 CD ARG B 28 -19.619 29.906 13.301 1.00 32.95 C ATOM 1422 NE ARG B 28 -20.805 30.658 13.712 1.00 35.40 N ATOM 1423 CZ ARG B 28 -21.080 31.089 14.955 1.00 36.08 C ATOM 1424 NH1 ARG B 28 -22.207 31.758 15.168 1.00 36.96 N ATOM 1425 NH2 ARG B 28 -20.257 30.870 15.982 1.00 35.74 N ATOM 1426 HE ARG B 28 -21.501 30.880 12.972 1.00 0.00 H ATOM 1427 HH12 ARG B 28 -22.437 32.099 16.123 1.00 0.00 H ATOM 1428 HH11 ARG B 28 -22.860 31.941 14.380 1.00 0.00 H ATOM 1429 HH22 ARG B 28 -20.504 31.219 16.930 1.00 0.00 H ATOM 1430 HH21 ARG B 28 -19.368 30.350 15.835 1.00 0.00 H ATOM 1431 H ARG B 28 -21.559 25.977 13.271 1.00 0.00 H ATOM 1432 N ASP B 29 -22.220 25.556 10.321 1.00 26.79 N ATOM 1433 CA ASP B 29 -22.386 24.762 9.121 1.00 26.93 C ATOM 1434 C ASP B 29 -21.041 24.461 8.431 1.00 26.31 C ATOM 1435 O ASP B 29 -20.917 24.560 7.205 1.00 26.93 O ATOM 1436 CB ASP B 29 -23.370 25.450 8.155 1.00 28.03 C ATOM 1437 CG ASP B 29 -23.985 24.486 7.183 1.00 28.30 C ATOM 1438 OD1 ASP B 29 -24.377 23.358 7.588 1.00 27.55 O ATOM 1439 OD2 ASP B 29 -24.060 24.843 5.997 1.00 29.75 O ATOM 1440 H ASP B 29 -22.499 25.134 11.230 1.00 0.00 H ATOM 1441 N ILE B 30 -20.049 24.088 9.230 1.00 24.75 N ATOM 1442 CA ILE B 30 -18.706 23.836 8.729 1.00 24.26 C ATOM 1443 C ILE B 30 -18.474 22.330 8.652 1.00 22.96 C ATOM 1444 O ILE B 30 -18.544 21.640 9.657 1.00 21.31 O ATOM 1445 CB ILE B 30 -17.648 24.525 9.609 1.00 24.47 C ATOM 1446 CG1 ILE B 30 -17.806 26.042 9.481 1.00 25.74 C ATOM 1447 CG2 ILE B 30 -16.228 24.069 9.240 1.00 24.08 C ATOM 1448 CD1 ILE B 30 -16.886 26.830 10.389 1.00 26.18 C ATOM 1449 H ILE B 30 -20.237 23.972 10.246 1.00 0.00 H ATOM 1450 N LEU B 31 -18.215 21.853 7.433 1.00 23.01 N ATOM 1451 CA LEU B 31 -17.982 20.443 7.110 1.00 22.86 C ATOM 1452 C LEU B 31 -19.131 19.490 7.395 1.00 22.16 C ATOM 1453 O LEU B 31 -18.926 18.274 7.414 1.00 21.49 O ATOM 1454 CB LEU B 31 -16.675 19.916 7.736 1.00 23.28 C ATOM 1455 CG LEU B 31 -15.432 20.127 6.838 1.00 24.23 C ATOM 1456 CD1 LEU B 31 -15.016 21.584 6.793 1.00 25.17 C ATOM 1457 CD2 LEU B 31 -14.307 19.273 7.393 1.00 24.02 C ATOM 1458 H LEU B 31 -18.175 22.536 6.650 1.00 0.00 H ATOM 1459 N THR B 32 -20.338 20.024 7.575 1.00 22.28 N ATOM 1460 CA THR B 32 -21.525 19.196 7.655 1.00 22.28 C ATOM 1461 C THR B 32 -21.665 18.518 6.312 1.00 22.94 C ATOM 1462 O THR B 32 -21.438 19.146 5.287 1.00 23.53 O ATOM 1463 CB THR B 32 -22.783 20.021 7.961 1.00 22.91 C ATOM 1464 OG1 THR B 32 -22.826 21.161 7.108 1.00 23.56 O ATOM 1465 CG2 THR B 32 -22.789 20.455 9.438 1.00 22.29 C ATOM 1466 HG1 THR B 32 -23.638 21.691 7.308 1.00 0.00 H ATOM 1467 H THR B 32 -20.431 21.056 7.660 1.00 0.00 H ATOM 1468 N ASP B 33 -21.908 17.214 6.338 1.00 23.09 N ATOM 1469 CA ASP B 33 -21.855 16.381 5.131 1.00 23.88 C ATOM 1470 C ASP B 33 -23.129 15.556 4.927 1.00 23.99 C ATOM 1471 O ASP B 33 -23.185 14.715 4.027 1.00 24.05 O ATOM 1472 CB ASP B 33 -20.608 15.471 5.132 1.00 23.96 C ATOM 1473 CG ASP B 33 -20.499 14.614 6.390 1.00 24.03 C ATOM 1474 OD1 ASP B 33 -21.398 14.697 7.252 1.00 23.77 O ATOM 1475 OD2 ASP B 33 -19.527 13.828 6.510 1.00 25.14 O ATOM 1476 H ASP B 33 -22.145 16.766 7.246 1.00 0.00 H ATOM 1477 N VAL B 34 -24.163 15.795 5.731 1.00 23.22 N ATOM 1478 CA VAL B 34 -25.419 15.136 5.460 1.00 23.55 C ATOM 1479 C VAL B 34 -26.584 15.984 5.948 1.00 23.75 C ATOM 1480 O VAL B 34 -26.447 16.763 6.911 1.00 23.40 O ATOM 1481 CB VAL B 34 -25.437 13.715 6.079 1.00 22.86 C ATOM 1482 CG1 VAL B 34 -25.643 13.758 7.612 1.00 22.33 C ATOM 1483 CG2 VAL B 34 -26.493 12.873 5.414 1.00 23.42 C ATOM 1484 H VAL B 34 -24.068 16.444 6.538 1.00 0.00 H ATOM 1485 N VAL B 35 -27.710 15.829 5.267 1.00 24.17 N ATOM 1486 CA VAL B 35 -28.983 16.388 5.694 1.00 24.97 C ATOM 1487 C VAL B 35 -29.868 15.200 6.028 1.00 25.24 C ATOM 1488 O VAL B 35 -30.088 14.329 5.182 1.00 26.03 O ATOM 1489 CB VAL B 35 -29.663 17.224 4.595 1.00 25.79 C ATOM 1490 CG1 VAL B 35 -31.014 17.749 5.092 1.00 26.54 C ATOM 1491 CG2 VAL B 35 -28.766 18.377 4.155 1.00 25.80 C ATOM 1492 H VAL B 35 -27.682 15.281 4.384 1.00 0.00 H ATOM 1493 N ILE B 36 -30.357 15.150 7.263 1.00 25.39 N ATOM 1494 CA ILE B 36 -31.351 14.156 7.660 1.00 25.78 C ATOM 1495 C ILE B 36 -32.736 14.791 7.488 1.00 27.38 C ATOM 1496 O ILE B 36 -32.984 15.914 7.951 1.00 27.23 O ATOM 1497 CB ILE B 36 -31.124 13.666 9.114 1.00 25.44 C ATOM 1498 CG1 ILE B 36 -29.660 13.203 9.322 1.00 24.38 C ATOM 1499 CG2 ILE B 36 -32.073 12.516 9.443 1.00 25.78 C ATOM 1500 CD1 ILE B 36 -29.200 12.106 8.379 1.00 24.47 C ATOM 1501 H ILE B 36 -30.022 15.838 7.967 1.00 0.00 H ATOM 1502 N VAL B 37 -33.633 14.059 6.819 1.00 28.66 N ATOM 1503 CA VAL B 37 -34.958 14.537 6.477 1.00 30.55 C ATOM 1504 C VAL B 37 -35.992 13.751 7.261 1.00 31.64 C ATOM 1505 O VAL B 37 -36.010 12.525 7.211 1.00 31.23 O ATOM 1506 CB VAL B 37 -35.251 14.319 4.976 1.00 31.31 C ATOM 1507 CG1 VAL B 37 -36.685 14.730 4.622 1.00 32.81 C ATOM 1508 CG2 VAL B 37 -34.249 15.088 4.127 1.00 31.25 C ATOM 1509 H VAL B 37 -33.366 13.097 6.529 1.00 0.00 H ATOM 1510 N VAL B 38 -36.853 14.472 7.970 1.00 33.94 N ATOM 1511 CA VAL B 38 -37.994 13.884 8.687 1.00 35.71 C ATOM 1512 C VAL B 38 -39.222 14.662 8.271 1.00 38.27 C ATOM 1513 O VAL B 38 -39.449 15.765 8.763 1.00 38.62 O ATOM 1514 CB VAL B 38 -37.837 13.968 10.229 1.00 35.15 C ATOM 1515 CG1 VAL B 38 -39.026 13.313 10.928 1.00 36.12 C ATOM 1516 CG2 VAL B 38 -36.519 13.332 10.674 1.00 33.92 C ATOM 1517 H VAL B 38 -36.714 15.501 8.020 1.00 0.00 H ATOM 1518 N SER B 39 -40.015 14.087 7.369 1.00 40.98 N ATOM 1519 CA SER B 39 -41.155 14.789 6.787 1.00 43.56 C ATOM 1520 C SER B 39 -40.581 15.830 5.799 1.00 45.02 C ATOM 1521 O SER B 39 -39.808 15.463 4.904 1.00 44.25 O ATOM 1522 CB SER B 39 -42.066 15.399 7.889 1.00 44.36 C ATOM 1523 OG SER B 39 -41.980 14.675 9.105 1.00 43.83 O ATOM 1524 HG SER B 39 -41.045 14.689 9.431 1.00 0.00 H ATOM 1525 H SER B 39 -39.817 13.111 7.071 1.00 0.00 H ATOM 1526 N ARG B 40 -40.966 17.100 5.942 1.00 47.28 N ATOM 1527 CA ARG B 40 -40.380 18.201 5.184 1.00 48.32 C ATOM 1528 C ARG B 40 -39.268 18.923 5.961 1.00 45.99 C ATOM 1529 O ARG B 40 -38.668 19.851 5.429 1.00 46.99 O ATOM 1530 CB ARG B 40 -41.482 19.203 4.819 1.00 50.97 C ATOM 1531 CG ARG B 40 -42.587 18.612 3.956 1.00 53.96 C ATOM 1532 CD ARG B 40 -43.980 18.846 4.535 1.00 56.45 C ATOM 1533 NE ARG B 40 -44.974 17.977 3.893 1.00 58.90 N ATOM 1534 CZ ARG B 40 -45.689 18.267 2.799 1.00 61.44 C ATOM 1535 NH1 ARG B 40 -45.580 19.441 2.168 1.00 63.07 N ATOM 1536 NH2 ARG B 40 -46.542 17.361 2.323 1.00 62.56 N ATOM 1537 HE ARG B 40 -45.138 17.048 4.330 1.00 0.00 H ATOM 1538 HH12 ARG B 40 -46.152 19.631 1.320 1.00 0.00 H ATOM 1539 HH11 ARG B 40 -44.923 20.164 2.525 1.00 0.00 H ATOM 1540 HH22 ARG B 40 -47.104 17.572 1.474 1.00 0.00 H ATOM 1541 HH21 ARG B 40 -46.645 16.443 2.800 1.00 0.00 H ATOM 1542 H ARG B 40 -41.719 17.315 6.626 1.00 0.00 H ATOM 1543 N GLU B 41 -39.002 18.507 7.201 1.00 43.52 N ATOM 1544 CA GLU B 41 -37.997 19.150 8.058 1.00 41.44 C ATOM 1545 C GLU B 41 -36.598 18.558 7.833 1.00 38.16 C ATOM 1546 O GLU B 41 -36.429 17.338 7.835 1.00 37.28 O ATOM 1547 CB GLU B 41 -38.401 19.003 9.527 1.00 42.14 C ATOM 1548 CG GLU B 41 -39.705 19.719 9.866 1.00 44.45 C ATOM 1549 CD GLU B 41 -39.572 21.233 9.815 1.00 46.02 C ATOM 1550 OE1 GLU B 41 -38.447 21.741 10.038 1.00 46.44 O ATOM 1551 OE2 GLU B 41 -40.592 21.923 9.570 1.00 48.70 O ATOM 1552 H GLU B 41 -39.529 17.693 7.577 1.00 0.00 H ATOM 1553 N GLN B 42 -35.616 19.441 7.658 1.00 35.78 N ATOM 1554 CA GLN B 42 -34.232 19.087 7.320 1.00 33.48 C ATOM 1555 C GLN B 42 -33.302 19.381 8.482 1.00 31.15 C ATOM 1556 O GLN B 42 -33.365 20.461 9.036 1.00 30.88 O ATOM 1557 CB GLN B 42 -33.750 19.938 6.156 1.00 34.21 C ATOM 1558 CG GLN B 42 -34.443 19.675 4.828 1.00 35.71 C ATOM 1559 CD GLN B 42 -33.800 20.433 3.669 1.00 36.64 C ATOM 1560 OE1 GLN B 42 -32.850 21.187 3.841 1.00 36.40 O ATOM 1561 NE2 GLN B 42 -34.339 20.242 2.483 1.00 38.49 N ATOM 1562 HE22 GLN B 42 -35.145 19.594 2.376 1.00 0.00 H ATOM 1563 HE21 GLN B 42 -33.959 20.740 1.653 1.00 0.00 H ATOM 1564 H GLN B 42 -35.845 20.449 7.768 1.00 0.00 H ATOM 1565 N PHE B 43 -32.405 18.448 8.797 1.00 29.15 N ATOM 1566 CA PHE B 43 -31.415 18.612 9.868 1.00 27.73 C ATOM 1567 C PHE B 43 -29.977 18.365 9.372 1.00 26.37 C ATOM 1568 O PHE B 43 -29.642 17.272 8.929 1.00 25.83 O ATOM 1569 CB PHE B 43 -31.706 17.667 11.038 1.00 27.21 C ATOM 1570 CG PHE B 43 -33.073 17.838 11.620 1.00 28.25 C ATOM 1571 CD1 PHE B 43 -33.299 18.776 12.607 1.00 28.69 C ATOM 1572 CD2 PHE B 43 -34.134 17.070 11.166 1.00 28.86 C ATOM 1573 CE1 PHE B 43 -34.569 18.943 13.140 1.00 29.68 C ATOM 1574 CE2 PHE B 43 -35.394 17.227 11.690 1.00 29.84 C ATOM 1575 CZ PHE B 43 -35.615 18.168 12.679 1.00 30.06 C ATOM 1576 H PHE B 43 -32.406 17.559 8.257 1.00 0.00 H ATOM 1577 N ARG B 44 -29.136 19.379 9.498 1.00 25.81 N ATOM 1578 CA ARG B 44 -27.750 19.309 9.022 1.00 25.20 C ATOM 1579 C ARG B 44 -26.830 18.757 10.097 1.00 23.90 C ATOM 1580 O ARG B 44 -26.904 19.159 11.261 1.00 23.84 O ATOM 1581 CB ARG B 44 -27.295 20.685 8.570 1.00 26.07 C ATOM 1582 CG ARG B 44 -28.124 21.197 7.408 1.00 27.97 C ATOM 1583 CD ARG B 44 -27.952 22.673 7.160 1.00 29.16 C ATOM 1584 NE ARG B 44 -26.836 22.967 6.268 1.00 29.73 N ATOM 1585 CZ ARG B 44 -26.896 22.996 4.929 1.00 30.66 C ATOM 1586 NH1 ARG B 44 -28.017 22.712 4.265 1.00 31.55 N ATOM 1587 NH2 ARG B 44 -25.801 23.314 4.240 1.00 30.71 N ATOM 1588 HE ARG B 44 -25.916 23.171 6.708 1.00 0.00 H ATOM 1589 HH12 ARG B 44 -28.028 22.744 3.226 1.00 0.00 H ATOM 1590 HH11 ARG B 44 -28.880 22.458 4.787 1.00 0.00 H ATOM 1591 HH22 ARG B 44 -25.830 23.341 3.201 1.00 0.00 H ATOM 1592 HH21 ARG B 44 -24.917 23.535 4.741 1.00 0.00 H ATOM 1593 H ARG B 44 -29.469 20.255 9.950 1.00 0.00 H ATOM 1594 N ALA B 45 -25.943 17.844 9.709 1.00 23.03 N ATOM 1595 CA ALA B 45 -25.083 17.160 10.672 1.00 21.87 C ATOM 1596 C ALA B 45 -23.791 16.628 10.038 1.00 21.01 C ATOM 1597 O ALA B 45 -23.581 16.721 8.820 1.00 20.82 O ATOM 1598 CB ALA B 45 -25.857 16.011 11.288 1.00 21.81 C ATOM 1599 H ALA B 45 -25.860 17.612 8.699 1.00 0.00 H ATOM 1600 N HIS B 46 -22.949 16.072 10.895 1.00 20.23 N ATOM 1601 CA HIS B 46 -21.752 15.340 10.480 1.00 19.90 C ATOM 1602 C HIS B 46 -22.023 13.847 10.635 1.00 19.30 C ATOM 1603 O HIS B 46 -22.384 13.390 11.715 1.00 18.09 O ATOM 1604 CB HIS B 46 -20.536 15.749 11.309 1.00 19.74 C ATOM 1605 CG HIS B 46 -20.273 17.227 11.334 1.00 20.53 C ATOM 1606 ND1 HIS B 46 -20.707 18.051 12.360 1.00 21.12 N ATOM 1607 CD2 HIS B 46 -19.591 18.025 10.477 1.00 21.11 C ATOM 1608 CE1 HIS B 46 -20.325 19.294 12.117 1.00 21.38 C ATOM 1609 NE2 HIS B 46 -19.639 19.303 10.985 1.00 21.70 N ATOM 1610 H HIS B 46 -23.148 16.160 11.912 1.00 0.00 H ATOM 1611 N LYS B 47 -21.832 13.096 9.551 1.00 19.31 N ATOM 1612 CA LYS B 47 -21.980 11.620 9.549 1.00 19.77 C ATOM 1613 C LYS B 47 -21.267 10.894 10.699 1.00 19.45 C ATOM 1614 O LYS B 47 -21.861 10.012 11.323 1.00 19.18 O ATOM 1615 CB LYS B 47 -21.510 11.013 8.219 1.00 20.19 C ATOM 1616 CG LYS B 47 -22.461 11.293 7.061 1.00 20.94 C ATOM 1617 CD LYS B 47 -21.889 10.780 5.745 1.00 21.52 C ATOM 1618 CE LYS B 47 -22.650 11.372 4.581 1.00 22.41 C ATOM 1619 NZ LYS B 47 -22.210 10.793 3.287 1.00 23.22 N ATOM 1620 HZ1 LYS B 47 -21.197 10.985 3.149 1.00 0.00 H ATOM 1621 HZ2 LYS B 47 -22.371 9.766 3.296 1.00 0.00 H ATOM 1622 HZ3 LYS B 47 -22.755 11.224 2.513 1.00 0.00 H ATOM 1623 H LYS B 47 -21.566 13.568 8.663 1.00 0.00 H ATOM 1624 N THR B 48 -20.004 11.247 10.955 1.00 19.47 N ATOM 1625 CA THR B 48 -19.201 10.569 11.968 1.00 19.51 C ATOM 1626 C THR B 48 -19.796 10.710 13.370 1.00 18.50 C ATOM 1627 O THR B 48 -19.755 9.758 14.136 1.00 18.05 O ATOM 1628 CB THR B 48 -17.754 11.103 12.000 1.00 20.05 C ATOM 1629 OG1 THR B 48 -17.790 12.535 11.938 1.00 21.40 O ATOM 1630 CG2 THR B 48 -16.967 10.597 10.801 1.00 21.03 C ATOM 1631 HG1 THR B 48 -18.234 12.817 11.099 1.00 0.00 H ATOM 1632 H THR B 48 -19.580 12.029 10.416 1.00 0.00 H ATOM 1633 N VAL B 49 -20.335 11.882 13.686 1.00 18.38 N ATOM 1634 CA VAL B 49 -20.957 12.126 15.001 1.00 18.30 C ATOM 1635 C VAL B 49 -22.213 11.248 15.081 1.00 18.94 C ATOM 1636 O VAL B 49 -22.473 10.619 16.110 1.00 18.71 O ATOM 1637 CB VAL B 49 -21.332 13.609 15.225 1.00 18.23 C ATOM 1638 CG1 VAL B 49 -22.096 13.805 16.544 1.00 18.25 C ATOM 1639 CG2 VAL B 49 -20.079 14.482 15.236 1.00 18.19 C ATOM 1640 H VAL B 49 -20.318 12.650 12.985 1.00 0.00 H ATOM 1641 N LEU B 50 -22.957 11.180 13.971 1.00 19.43 N ATOM 1642 CA LEU B 50 -24.162 10.353 13.931 1.00 20.34 C ATOM 1643 C LEU B 50 -23.830 8.879 14.110 1.00 20.54 C ATOM 1644 O LEU B 50 -24.495 8.198 14.876 1.00 21.32 O ATOM 1645 CB LEU B 50 -24.960 10.568 12.640 1.00 21.00 C ATOM 1646 CG LEU B 50 -25.458 11.980 12.377 1.00 21.39 C ATOM 1647 CD1 LEU B 50 -26.093 12.036 10.990 1.00 22.14 C ATOM 1648 CD2 LEU B 50 -26.430 12.434 13.457 1.00 21.78 C ATOM 1649 H LEU B 50 -22.675 11.721 13.128 1.00 0.00 H ATOM 1650 N MET B 51 -22.787 8.408 13.427 1.00 21.05 N ATOM 1651 CA MET B 51 -22.302 7.018 13.553 1.00 21.29 C ATOM 1652 C MET B 51 -21.745 6.662 14.936 1.00 20.79 C ATOM 1653 O MET B 51 -21.721 5.491 15.317 1.00 21.24 O ATOM 1654 CB MET B 51 -21.206 6.754 12.530 1.00 21.35 C ATOM 1655 CG MET B 51 -21.715 6.878 11.115 1.00 22.23 C ATOM 1656 SD MET B 51 -20.312 6.882 10.020 1.00 22.56 S ATOM 1657 CE MET B 51 -20.119 5.102 9.888 1.00 22.27 C ATOM 1658 H MET B 51 -22.291 9.049 12.775 1.00 0.00 H ATOM 1659 N ALA B 52 -21.244 7.659 15.647 1.00 20.44 N ATOM 1660 CA ALA B 52 -20.649 7.466 16.990 1.00 20.30 C ATOM 1661 C ALA B 52 -21.703 7.413 18.106 1.00 20.28 C ATOM 1662 O ALA B 52 -21.424 6.938 19.226 1.00 20.20 O ATOM 1663 CB ALA B 52 -19.607 8.565 17.258 1.00 19.97 C ATOM 1664 H ALA B 52 -21.269 8.618 15.246 1.00 0.00 H ATOM 1665 N CYS B 53 -22.920 7.863 17.785 1.00 20.32 N ATOM 1666 CA CYS B 53 -24.033 7.928 18.731 1.00 20.70 C ATOM 1667 C CYS B 53 -25.142 6.936 18.450 1.00 20.57 C ATOM 1668 O CYS B 53 -25.874 6.602 19.362 1.00 21.01 O ATOM 1669 CB CYS B 53 -24.651 9.324 18.728 1.00 21.04 C ATOM 1670 SG CYS B 53 -23.544 10.615 19.316 1.00 22.48 S ATOM 1671 H CYS B 53 -23.084 8.184 16.810 1.00 0.00 H ATOM 1672 N SER B 54 -25.282 6.469 17.206 1.00 20.22 N ATOM 1673 CA SER B 54 -26.471 5.718 16.798 1.00 20.63 C ATOM 1674 C SER B 54 -26.105 4.502 15.956 1.00 21.03 C ATOM 1675 O SER B 54 -25.346 4.607 14.963 1.00 20.90 O ATOM 1676 CB SER B 54 -27.423 6.651 16.039 1.00 20.43 C ATOM 1677 OG SER B 54 -28.327 5.932 15.245 1.00 21.22 O ATOM 1678 HG SER B 54 -28.867 5.335 15.821 1.00 0.00 H ATOM 1679 H SER B 54 -24.528 6.643 16.511 1.00 0.00 H ATOM 1680 N GLY B 55 -26.662 3.356 16.343 1.00 21.43 N ATOM 1681 CA GLY B 55 -26.546 2.128 15.565 1.00 21.78 C ATOM 1682 C GLY B 55 -27.244 2.228 14.209 1.00 22.23 C ATOM 1683 O GLY B 55 -26.756 1.674 13.229 1.00 22.18 O ATOM 1684 H GLY B 55 -27.200 3.336 17.233 1.00 0.00 H ATOM 1685 N LEU B 56 -28.379 2.933 14.148 1.00 22.23 N ATOM 1686 CA LEU B 56 -29.059 3.128 12.900 1.00 22.76 C ATOM 1687 C LEU B 56 -28.145 3.846 11.929 1.00 22.09 C ATOM 1688 O LEU B 56 -27.889 3.335 10.824 1.00 22.29 O ATOM 1689 CB LEU B 56 -30.394 3.891 13.067 1.00 23.38 C ATOM 1690 CG LEU B 56 -31.183 4.054 11.763 1.00 24.21 C ATOM 1691 CD1 LEU B 56 -31.539 2.684 11.198 1.00 25.46 C ATOM 1692 CD2 LEU B 56 -32.433 4.903 11.933 1.00 24.66 C ATOM 1693 H LEU B 56 -28.774 3.345 15.017 1.00 0.00 H ATOM 1694 N PHE B 57 -27.655 5.016 12.340 1.00 21.31 N ATOM 1695 CA PHE B 57 -26.776 5.820 11.485 1.00 20.80 C ATOM 1696 C PHE B 57 -25.469 5.126 11.124 1.00 20.77 C ATOM 1697 O PHE B 57 -25.027 5.201 9.953 1.00 20.19 O ATOM 1698 CB PHE B 57 -26.527 7.221 12.040 1.00 20.21 C ATOM 1699 CG PHE B 57 -27.729 8.137 11.926 1.00 20.57 C ATOM 1700 CD1 PHE B 57 -28.321 8.399 10.683 1.00 20.97 C ATOM 1701 CD2 PHE B 57 -28.256 8.750 13.054 1.00 20.39 C ATOM 1702 CE1 PHE B 57 -29.409 9.248 10.582 1.00 21.20 C ATOM 1703 CE2 PHE B 57 -29.354 9.599 12.956 1.00 20.81 C ATOM 1704 CZ PHE B 57 -29.916 9.855 11.715 1.00 21.34 C ATOM 1705 H PHE B 57 -27.902 5.366 13.288 1.00 0.00 H ATOM 1706 N TYR B 58 -24.898 4.381 12.069 1.00 20.40 N ATOM 1707 CA TYR B 58 -23.783 3.502 11.710 1.00 20.79 C ATOM 1708 C TYR B 58 -24.063 2.579 10.501 1.00 21.72 C ATOM 1709 O TYR B 58 -23.261 2.550 9.561 1.00 21.71 O ATOM 1710 CB TYR B 58 -23.335 2.670 12.906 1.00 20.85 C ATOM 1711 CG TYR B 58 -22.126 1.834 12.573 1.00 21.09 C ATOM 1712 CD1 TYR B 58 -20.857 2.376 12.583 1.00 20.63 C ATOM 1713 CD2 TYR B 58 -22.266 0.494 12.204 1.00 22.19 C ATOM 1714 CE1 TYR B 58 -19.753 1.592 12.254 1.00 21.13 C ATOM 1715 CE2 TYR B 58 -21.175 -0.285 11.867 1.00 22.44 C ATOM 1716 CZ TYR B 58 -19.931 0.269 11.903 1.00 22.00 C ATOM 1717 OH TYR B 58 -18.876 -0.538 11.569 1.00 23.41 O ATOM 1718 HH TYR B 58 -18.034 -0.022 11.634 1.00 0.00 H ATOM 1719 H TYR B 58 -25.240 4.423 13.050 1.00 0.00 H ATOM 1720 N SER B 59 -25.193 1.849 10.538 1.00 22.41 N ATOM 1721 CA SER B 59 -25.567 0.868 9.514 1.00 23.42 C ATOM 1722 C SER B 59 -25.772 1.547 8.191 1.00 23.60 C ATOM 1723 O SER B 59 -25.350 1.024 7.177 1.00 24.06 O ATOM 1724 CB SER B 59 -26.869 0.122 9.866 1.00 24.49 C ATOM 1725 OG SER B 59 -26.785 -0.488 11.140 1.00 24.93 O ATOM 1726 HG SER B 59 -26.624 0.206 11.827 1.00 0.00 H ATOM 1727 H SER B 59 -25.840 1.989 11.341 1.00 0.00 H ATOM 1728 N ILE B 60 -26.411 2.719 8.231 1.00 23.35 N ATOM 1729 CA ILE B 60 -26.700 3.532 7.047 1.00 23.96 C ATOM 1730 C ILE B 60 -25.417 4.026 6.339 1.00 23.69 C ATOM 1731 O ILE B 60 -25.284 3.896 5.108 1.00 24.05 O ATOM 1732 CB ILE B 60 -27.656 4.718 7.405 1.00 23.63 C ATOM 1733 CG1 ILE B 60 -29.060 4.165 7.697 1.00 24.31 C ATOM 1734 CG2 ILE B 60 -27.708 5.756 6.288 1.00 23.98 C ATOM 1735 CD1 ILE B 60 -30.042 5.154 8.303 1.00 24.19 C ATOM 1736 H ILE B 60 -26.722 3.076 9.157 1.00 0.00 H ATOM 1737 N PHE B 61 -24.480 4.573 7.099 1.00 23.02 N ATOM 1738 CA PHE B 61 -23.285 5.164 6.503 1.00 23.16 C ATOM 1739 C PHE B 61 -22.141 4.178 6.277 1.00 23.72 C ATOM 1740 O PHE B 61 -21.142 4.575 5.679 1.00 24.85 O ATOM 1741 CB PHE B 61 -22.827 6.387 7.277 1.00 22.26 C ATOM 1742 CG PHE B 61 -23.878 7.462 7.379 1.00 22.42 C ATOM 1743 CD1 PHE B 61 -24.469 7.990 6.238 1.00 22.97 C ATOM 1744 CD2 PHE B 61 -24.269 7.958 8.629 1.00 21.96 C ATOM 1745 CE1 PHE B 61 -25.417 8.986 6.330 1.00 23.07 C ATOM 1746 CE2 PHE B 61 -25.247 8.939 8.731 1.00 22.08 C ATOM 1747 CZ PHE B 61 -25.816 9.455 7.580 1.00 22.76 C ATOM 1748 H PHE B 61 -24.597 4.582 8.132 1.00 0.00 H ATOM 1749 N THR B 62 -22.290 2.920 6.698 1.00 24.38 N ATOM 1750 CA THR B 62 -21.426 1.813 6.233 1.00 25.64 C ATOM 1751 C THR B 62 -22.089 0.961 5.120 1.00 27.43 C ATOM 1752 O THR B 62 -21.508 -0.021 4.683 1.00 28.90 O ATOM 1753 CB THR B 62 -21.053 0.857 7.381 1.00 25.56 C ATOM 1754 OG1 THR B 62 -22.250 0.393 7.998 1.00 25.73 O ATOM 1755 CG2 THR B 62 -20.184 1.552 8.408 1.00 24.27 C ATOM 1756 HG1 THR B 62 -22.757 1.165 8.355 1.00 0.00 H ATOM 1757 H THR B 62 -23.045 2.709 7.381 1.00 0.00 H ATOM 1758 N ASP B 63 -23.304 1.323 4.693 1.00 28.04 N ATOM 1759 CA ASP B 63 -24.014 0.644 3.599 1.00 29.69 C ATOM 1760 C ASP B 63 -23.572 1.317 2.304 1.00 30.12 C ATOM 1761 O ASP B 63 -23.780 2.510 2.119 1.00 29.18 O ATOM 1762 CB ASP B 63 -25.538 0.776 3.821 1.00 30.35 C ATOM 1763 CG ASP B 63 -26.392 0.204 2.689 1.00 32.04 C ATOM 1764 OD1 ASP B 63 -25.930 0.013 1.532 1.00 32.91 O ATOM 1765 OD2 ASP B 63 -27.585 -0.034 2.969 1.00 33.11 O ATOM 1766 H ASP B 63 -23.771 2.127 5.159 1.00 0.00 H ATOM 1767 N GLN B 64 -22.977 0.537 1.409 1.00 31.74 N ATOM 1768 CA GLN B 64 -22.374 1.076 0.179 1.00 32.95 C ATOM 1769 C GLN B 64 -23.357 1.727 -0.788 1.00 33.10 C ATOM 1770 O GLN B 64 -22.955 2.563 -1.594 1.00 33.68 O ATOM 1771 CB GLN B 64 -21.565 0.005 -0.550 1.00 34.77 C ATOM 1772 CG GLN B 64 -20.331 -0.489 0.185 1.00 35.72 C ATOM 1773 CD GLN B 64 -19.183 0.508 0.223 1.00 36.23 C ATOM 1774 OE1 GLN B 64 -19.348 1.704 -0.034 1.00 37.10 O ATOM 1775 NE2 GLN B 64 -17.994 0.010 0.552 1.00 37.33 N ATOM 1776 HE22 GLN B 64 -17.895 -1.004 0.762 1.00 0.00 H ATOM 1777 HE21 GLN B 64 -17.164 0.634 0.599 1.00 0.00 H ATOM 1778 H GLN B 64 -22.936 -0.488 1.583 1.00 0.00 H ATOM 1779 N LEU B 65 -24.629 1.347 -0.720 1.00 33.20 N ATOM 1780 CA LEU B 65 -25.664 2.036 -1.481 1.00 34.03 C ATOM 1781 C LEU B 65 -25.948 3.456 -0.970 1.00 33.80 C ATOM 1782 O LEU B 65 -26.379 4.318 -1.744 1.00 33.97 O ATOM 1783 CB LEU B 65 -26.958 1.213 -1.484 1.00 34.51 C ATOM 1784 CG LEU B 65 -26.918 -0.094 -2.273 1.00 35.53 C ATOM 1785 CD1 LEU B 65 -28.131 -0.951 -1.937 1.00 36.33 C ATOM 1786 CD2 LEU B 65 -26.850 0.175 -3.771 1.00 36.25 C ATOM 1787 H LEU B 65 -24.890 0.544 -0.113 1.00 0.00 H ATOM 1788 N LYS B 66 -25.710 3.698 0.319 1.00 33.84 N ATOM 1789 CA LYS B 66 -26.140 4.922 0.965 1.00 34.10 C ATOM 1790 C LYS B 66 -25.021 5.820 1.458 1.00 34.09 C ATOM 1791 O LYS B 66 -25.256 7.017 1.643 1.00 33.50 O ATOM 1792 CB LYS B 66 -27.056 4.568 2.136 1.00 34.17 C ATOM 1793 CG LYS B 66 -28.290 3.794 1.711 1.00 35.63 C ATOM 1794 CD LYS B 66 -29.096 3.346 2.912 1.00 35.75 C ATOM 1795 CE LYS B 66 -30.395 2.689 2.463 1.00 37.35 C ATOM 1796 NZ LYS B 66 -31.239 2.351 3.638 1.00 37.68 N ATOM 1797 HZ1 LYS B 66 -30.723 1.693 4.256 1.00 0.00 H ATOM 1798 HZ2 LYS B 66 -31.463 3.220 4.164 1.00 0.00 H ATOM 1799 HZ3 LYS B 66 -32.120 1.904 3.313 1.00 0.00 H ATOM 1800 H LYS B 66 -25.199 2.986 0.879 1.00 0.00 H ATOM 1801 N CYS B 67 -23.819 5.273 1.656 1.00 34.97 N ATOM 1802 CA CYS B 67 -22.767 5.989 2.371 1.00 35.24 C ATOM 1803 C CYS B 67 -22.400 7.323 1.748 1.00 34.39 C ATOM 1804 O CYS B 67 -22.108 8.262 2.471 1.00 33.75 O ATOM 1805 CB CYS B 67 -21.513 5.114 2.578 1.00 36.70 C ATOM 1806 SG CYS B 67 -20.723 4.440 1.112 1.00 40.90 S ATOM 1807 H CYS B 67 -23.628 4.317 1.293 1.00 0.00 H ATOM 1808 N ASN B 68 -22.471 7.422 0.427 1.00 34.69 N ATOM 1809 CA ASN B 68 -22.101 8.646 -0.279 1.00 35.18 C ATOM 1810 C ASN B 68 -23.255 9.628 -0.531 1.00 34.59 C ATOM 1811 O ASN B 68 -23.041 10.676 -1.122 1.00 35.22 O ATOM 1812 CB ASN B 68 -21.390 8.292 -1.604 1.00 36.83 C ATOM 1813 CG ASN B 68 -19.917 7.934 -1.419 1.00 37.18 C ATOM 1814 OD1 ASN B 68 -19.169 7.878 -2.397 1.00 39.02 O ATOM 1815 ND2 ASN B 68 -19.493 7.692 -0.182 1.00 36.70 N ATOM 1816 HD22 ASN B 68 -20.157 7.750 0.616 1.00 0.00 H ATOM 1817 HD21 ASN B 68 -18.497 7.445 -0.013 1.00 0.00 H ATOM 1818 H ASN B 68 -22.800 6.603 -0.123 1.00 0.00 H ATOM 1819 N LEU B 69 -24.460 9.316 -0.068 1.00 34.08 N ATOM 1820 CA LEU B 69 -25.606 10.222 -0.212 1.00 33.70 C ATOM 1821 C LEU B 69 -25.506 11.420 0.735 1.00 32.52 C ATOM 1822 O LEU B 69 -25.061 11.269 1.883 1.00 31.08 O ATOM 1823 CB LEU B 69 -26.913 9.478 0.080 1.00 33.86 C ATOM 1824 CG LEU B 69 -27.224 8.247 -0.766 1.00 34.59 C ATOM 1825 CD1 LEU B 69 -28.540 7.613 -0.332 1.00 34.87 C ATOM 1826 CD2 LEU B 69 -27.251 8.620 -2.237 1.00 35.57 C ATOM 1827 H LEU B 69 -24.596 8.403 0.411 1.00 0.00 H ATOM 1828 N SER B 70 -25.935 12.594 0.269 1.00 32.39 N ATOM 1829 CA SER B 70 -25.967 13.800 1.125 1.00 31.96 C ATOM 1830 C SER B 70 -27.333 14.060 1.769 1.00 32.03 C ATOM 1831 O SER B 70 -27.459 14.966 2.601 1.00 31.69 O ATOM 1832 CB SER B 70 -25.488 15.034 0.362 1.00 32.76 C ATOM 1833 OG SER B 70 -26.356 15.372 -0.692 1.00 34.20 O ATOM 1834 HG SER B 70 -26.010 16.174 -1.159 1.00 0.00 H ATOM 1835 H SER B 70 -26.254 12.663 -0.718 1.00 0.00 H ATOM 1836 N VAL B 71 -28.339 13.270 1.385 1.00 31.97 N ATOM 1837 CA VAL B 71 -29.661 13.307 1.996 1.00 32.00 C ATOM 1838 C VAL B 71 -30.023 11.891 2.415 1.00 31.52 C ATOM 1839 O VAL B 71 -29.939 10.971 1.611 1.00 31.34 O ATOM 1840 CB VAL B 71 -30.748 13.821 1.026 1.00 33.24 C ATOM 1841 CG1 VAL B 71 -32.134 13.783 1.681 1.00 33.63 C ATOM 1842 CG2 VAL B 71 -30.424 15.225 0.565 1.00 33.96 C ATOM 1843 H VAL B 71 -28.170 12.595 0.612 1.00 0.00 H ATOM 1844 N ILE B 72 -30.412 11.740 3.677 1.00 31.08 N ATOM 1845 CA ILE B 72 -30.945 10.497 4.227 1.00 31.36 C ATOM 1846 C ILE B 72 -32.377 10.801 4.683 1.00 31.70 C ATOM 1847 O ILE B 72 -32.602 11.752 5.435 1.00 31.42 O ATOM 1848 CB ILE B 72 -30.068 10.012 5.424 1.00 30.62 C ATOM 1849 CG1 ILE B 72 -28.679 9.580 4.928 1.00 30.41 C ATOM 1850 CG2 ILE B 72 -30.726 8.878 6.202 1.00 30.68 C ATOM 1851 CD1 ILE B 72 -28.690 8.515 3.842 1.00 31.16 C ATOM 1852 H ILE B 72 -30.332 12.559 4.313 1.00 0.00 H ATOM 1853 N ASN B 73 -33.326 9.983 4.233 1.00 32.21 N ATOM 1854 CA ASN B 73 -34.742 10.109 4.604 1.00 33.07 C ATOM 1855 C ASN B 73 -35.109 9.079 5.643 1.00 32.96 C ATOM 1856 O ASN B 73 -35.099 7.892 5.354 1.00 33.87 O ATOM 1857 CB ASN B 73 -35.614 9.887 3.366 1.00 34.70 C ATOM 1858 CG ASN B 73 -35.468 11.001 2.376 1.00 35.37 C ATOM 1859 OD1 ASN B 73 -35.746 12.153 2.710 1.00 36.44 O ATOM 1860 ND2 ASN B 73 -35.004 10.692 1.174 1.00 35.62 N ATOM 1861 HD22 ASN B 73 -34.784 9.703 0.940 1.00 0.00 H ATOM 1862 HD21 ASN B 73 -34.860 11.439 0.464 1.00 0.00 H ATOM 1863 H ASN B 73 -33.051 9.216 3.586 1.00 0.00 H ATOM 1864 N LEU B 74 -35.430 9.516 6.854 1.00 32.48 N ATOM 1865 CA LEU B 74 -35.908 8.585 7.871 1.00 32.63 C ATOM 1866 C LEU B 74 -37.410 8.410 7.704 1.00 33.78 C ATOM 1867 O LEU B 74 -38.020 9.060 6.855 1.00 34.82 O ATOM 1868 CB LEU B 74 -35.566 9.094 9.274 1.00 31.77 C ATOM 1869 CG LEU B 74 -34.102 9.435 9.536 1.00 30.70 C ATOM 1870 CD1 LEU B 74 -33.996 9.940 10.971 1.00 30.27 C ATOM 1871 CD2 LEU B 74 -33.180 8.246 9.327 1.00 30.22 C ATOM 1872 H LEU B 74 -35.340 10.527 7.080 1.00 0.00 H ATOM 1873 N ASP B 75 -38.006 7.530 8.505 1.00 33.70 N ATOM 1874 CA ASP B 75 -39.452 7.311 8.471 1.00 34.85 C ATOM 1875 C ASP B 75 -40.190 8.649 8.689 1.00 35.67 C ATOM 1876 O ASP B 75 -40.093 9.240 9.762 1.00 34.75 O ATOM 1877 CB ASP B 75 -39.849 6.285 9.543 1.00 34.72 C ATOM 1878 CG ASP B 75 -41.318 5.882 9.485 1.00 35.84 C ATOM 1879 OD1 ASP B 75 -42.144 6.574 8.847 1.00 36.12 O ATOM 1880 OD2 ASP B 75 -41.646 4.846 10.099 1.00 35.90 O ATOM 1881 H ASP B 75 -37.428 6.983 9.174 1.00 0.00 H ATOM 1882 N PRO B 76 -40.963 9.117 7.679 1.00 37.52 N ATOM 1883 CA PRO B 76 -41.711 10.361 7.879 1.00 38.29 C ATOM 1884 C PRO B 76 -42.760 10.322 8.983 1.00 39.26 C ATOM 1885 O PRO B 76 -43.276 11.374 9.337 1.00 40.09 O ATOM 1886 CB PRO B 76 -42.384 10.591 6.519 1.00 39.83 C ATOM 1887 CG PRO B 76 -41.520 9.864 5.548 1.00 39.37 C ATOM 1888 CD PRO B 76 -41.113 8.628 6.298 1.00 38.61 C ATOM 1889 N GLU B 77 -43.096 9.142 9.505 1.00 39.52 N ATOM 1890 CA GLU B 77 -43.922 9.048 10.732 1.00 40.25 C ATOM 1891 C GLU B 77 -43.203 9.485 12.012 1.00 38.75 C ATOM 1892 O GLU B 77 -43.868 9.729 13.017 1.00 39.32 O ATOM 1893 CB GLU B 77 -44.456 7.628 10.928 1.00 41.28 C ATOM 1894 CG GLU B 77 -45.426 7.171 9.837 1.00 43.27 C ATOM 1895 CD GLU B 77 -46.842 7.713 9.995 1.00 45.13 C ATOM 1896 OE1 GLU B 77 -47.225 8.150 11.106 1.00 45.80 O ATOM 1897 OE2 GLU B 77 -47.593 7.680 8.998 1.00 46.80 O ATOM 1898 H GLU B 77 -42.772 8.269 9.041 1.00 0.00 H ATOM 1899 N ILE B 78 -41.869 9.573 11.995 1.00 37.14 N ATOM 1900 CA ILE B 78 -41.096 10.058 13.156 1.00 35.74 C ATOM 1901 C ILE B 78 -41.459 11.490 13.542 1.00 35.61 C ATOM 1902 O ILE B 78 -41.540 12.357 12.687 1.00 35.65 O ATOM 1903 CB ILE B 78 -39.563 10.042 12.899 1.00 34.58 C ATOM 1904 CG1 ILE B 78 -39.046 8.614 12.791 1.00 34.24 C ATOM 1905 CG2 ILE B 78 -38.787 10.737 14.029 1.00 33.57 C ATOM 1906 CD1 ILE B 78 -37.622 8.559 12.289 1.00 33.12 C ATOM 1907 H ILE B 78 -41.358 9.290 11.134 1.00 0.00 H ATOM 1908 N ASN B 79 -41.611 11.736 14.841 1.00 35.11 N ATOM 1909 CA ASN B 79 -41.831 13.079 15.334 1.00 35.31 C ATOM 1910 C ASN B 79 -40.563 13.951 15.138 1.00 34.08 C ATOM 1911 O ASN B 79 -39.492 13.617 15.690 1.00 33.17 O ATOM 1912 CB ASN B 79 -42.246 13.040 16.810 1.00 35.53 C ATOM 1913 CG ASN B 79 -42.612 14.407 17.331 1.00 36.38 C ATOM 1914 OD1 ASN B 79 -41.748 15.153 17.771 1.00 35.75 O ATOM 1915 ND2 ASN B 79 -43.891 14.758 17.260 1.00 38.26 N ATOM 1916 HD22 ASN B 79 -44.593 14.092 16.879 1.00 0.00 H ATOM 1917 HD21 ASN B 79 -44.191 15.699 17.586 1.00 0.00 H ATOM 1918 H ASN B 79 -41.571 10.946 15.516 1.00 0.00 H ATOM 1919 N PRO B 80 -40.663 15.064 14.359 1.00 34.47 N ATOM 1920 CA PRO B 80 -39.463 15.918 14.130 1.00 33.43 C ATOM 1921 C PRO B 80 -38.888 16.592 15.390 1.00 32.75 C ATOM 1922 O PRO B 80 -37.674 16.722 15.505 1.00 31.22 O ATOM 1923 CB PRO B 80 -39.956 16.987 13.145 1.00 34.44 C ATOM 1924 CG PRO B 80 -41.208 16.443 12.549 1.00 35.69 C ATOM 1925 CD PRO B 80 -41.829 15.580 13.616 1.00 35.98 C ATOM 1926 N GLU B 81 -39.756 17.027 16.304 1.00 33.57 N ATOM 1927 CA GLU B 81 -39.321 17.506 17.637 1.00 33.09 C ATOM 1928 C GLU B 81 -38.561 16.424 18.443 1.00 31.31 C ATOM 1929 O GLU B 81 -37.579 16.728 19.137 1.00 30.31 O ATOM 1930 CB GLU B 81 -40.521 18.075 18.424 1.00 34.93 C ATOM 1931 CG GLU B 81 -40.296 18.277 19.916 1.00 35.32 C ATOM 1932 CD GLU B 81 -41.239 19.293 20.549 1.00 37.08 C ATOM 1933 OE1 GLU B 81 -42.094 19.877 19.858 1.00 38.72 O ATOM 1934 OE2 GLU B 81 -41.110 19.523 21.765 1.00 38.02 O ATOM 1935 H GLU B 81 -40.770 17.030 16.074 1.00 0.00 H ATOM 1936 N GLY B 82 -39.012 15.176 18.337 1.00 30.58 N ATOM 1937 CA GLY B 82 -38.335 14.044 18.965 1.00 29.32 C ATOM 1938 C GLY B 82 -36.959 13.850 18.349 1.00 27.80 C ATOM 1939 O GLY B 82 -35.976 13.725 19.060 1.00 26.12 O ATOM 1940 H GLY B 82 -39.877 15.001 17.787 1.00 0.00 H ATOM 1941 N PHE B 83 -36.881 13.826 17.018 1.00 27.42 N ATOM 1942 CA PHE B 83 -35.584 13.729 16.375 1.00 26.37 C ATOM 1943 C PHE B 83 -34.679 14.907 16.739 1.00 25.96 C ATOM 1944 O PHE B 83 -33.503 14.706 17.057 1.00 23.91 O ATOM 1945 CB PHE B 83 -35.664 13.600 14.851 1.00 26.61 C ATOM 1946 CG PHE B 83 -34.313 13.437 14.229 1.00 25.88 C ATOM 1947 CD1 PHE B 83 -33.692 12.194 14.212 1.00 25.55 C ATOM 1948 CD2 PHE B 83 -33.619 14.535 13.738 1.00 25.87 C ATOM 1949 CE1 PHE B 83 -32.414 12.039 13.687 1.00 24.83 C ATOM 1950 CE2 PHE B 83 -32.343 14.389 13.209 1.00 25.34 C ATOM 1951 CZ PHE B 83 -31.729 13.139 13.199 1.00 24.70 C ATOM 1952 H PHE B 83 -37.746 13.877 16.443 1.00 0.00 H ATOM 1953 N CYS B 84 -35.232 16.120 16.713 1.00 27.06 N ATOM 1954 CA CYS B 84 -34.470 17.342 17.046 1.00 27.36 C ATOM 1955 C CYS B 84 -33.883 17.315 18.452 1.00 26.10 C ATOM 1956 O CYS B 84 -32.749 17.751 18.667 1.00 24.99 O ATOM 1957 CB CYS B 84 -35.343 18.590 16.919 1.00 29.81 C ATOM 1958 SG CYS B 84 -34.424 20.106 17.326 1.00 32.78 S ATOM 1959 H CYS B 84 -36.234 16.209 16.449 1.00 0.00 H ATOM 1960 N ILE B 85 -34.663 16.797 19.403 1.00 25.73 N ATOM 1961 CA ILE B 85 -34.171 16.637 20.769 1.00 24.94 C ATOM 1962 C ILE B 85 -32.958 15.699 20.799 1.00 23.74 C ATOM 1963 O ILE B 85 -31.925 16.039 21.395 1.00 22.15 O ATOM 1964 CB ILE B 85 -35.289 16.193 21.743 1.00 25.73 C ATOM 1965 CG1 ILE B 85 -36.254 17.372 21.961 1.00 26.79 C ATOM 1966 CG2 ILE B 85 -34.695 15.762 23.090 1.00 25.13 C ATOM 1967 CD1 ILE B 85 -37.678 16.988 22.340 1.00 28.22 C ATOM 1968 H ILE B 85 -35.633 16.504 19.169 1.00 0.00 H ATOM 1969 N LEU B 86 -33.078 14.554 20.124 1.00 23.57 N ATOM 1970 CA LEU B 86 -31.990 13.578 20.099 1.00 23.01 C ATOM 1971 C LEU B 86 -30.735 14.066 19.359 1.00 22.47 C ATOM 1972 O LEU B 86 -29.627 13.788 19.805 1.00 21.32 O ATOM 1973 CB LEU B 86 -32.466 12.224 19.577 1.00 23.14 C ATOM 1974 CG LEU B 86 -33.403 11.515 20.573 1.00 23.97 C ATOM 1975 CD1 LEU B 86 -34.137 10.359 19.923 1.00 24.49 C ATOM 1976 CD2 LEU B 86 -32.648 11.010 21.787 1.00 23.66 C ATOM 1977 H LEU B 86 -33.958 14.353 19.608 1.00 0.00 H ATOM 1978 N LEU B 87 -30.898 14.786 18.248 1.00 23.22 N ATOM 1979 CA LEU B 87 -29.743 15.347 17.539 1.00 23.03 C ATOM 1980 C LEU B 87 -29.021 16.387 18.422 1.00 22.92 C ATOM 1981 O LEU B 87 -27.800 16.348 18.545 1.00 21.88 O ATOM 1982 CB LEU B 87 -30.165 15.986 16.213 1.00 23.50 C ATOM 1983 CG LEU B 87 -29.008 16.538 15.372 1.00 22.91 C ATOM 1984 CD1 LEU B 87 -28.085 15.412 14.949 1.00 22.12 C ATOM 1985 CD2 LEU B 87 -29.549 17.252 14.145 1.00 23.77 C ATOM 1986 H LEU B 87 -31.856 14.952 17.880 1.00 0.00 H ATOM 1987 N ASP B 88 -29.778 17.286 19.054 1.00 24.17 N ATOM 1988 CA ASP B 88 -29.192 18.219 20.035 1.00 24.72 C ATOM 1989 C ASP B 88 -28.438 17.446 21.138 1.00 23.10 C ATOM 1990 O ASP B 88 -27.300 17.804 21.484 1.00 22.77 O ATOM 1991 CB ASP B 88 -30.239 19.211 20.601 1.00 26.63 C ATOM 1992 CG ASP B 88 -30.656 20.310 19.568 1.00 28.67 C ATOM 1993 OD1 ASP B 88 -29.918 20.516 18.564 1.00 29.92 O ATOM 1994 OD2 ASP B 88 -31.713 20.975 19.748 1.00 30.33 O ATOM 1995 H ASP B 88 -30.797 17.330 18.852 1.00 0.00 H ATOM 1996 N PHE B 89 -29.029 16.353 21.622 1.00 21.82 N ATOM 1997 CA PHE B 89 -28.385 15.504 22.631 1.00 20.38 C ATOM 1998 C PHE B 89 -27.021 14.924 22.182 1.00 19.00 C ATOM 1999 O PHE B 89 -26.057 14.963 22.931 1.00 17.57 O ATOM 2000 CB PHE B 89 -29.324 14.372 23.091 1.00 20.62 C ATOM 2001 CG PHE B 89 -28.620 13.281 23.839 1.00 20.14 C ATOM 2002 CD1 PHE B 89 -28.176 13.497 25.134 1.00 20.09 C ATOM 2003 CD2 PHE B 89 -28.358 12.059 23.240 1.00 19.79 C ATOM 2004 CE1 PHE B 89 -27.491 12.505 25.813 1.00 20.03 C ATOM 2005 CE2 PHE B 89 -27.678 11.065 23.914 1.00 19.73 C ATOM 2006 CZ PHE B 89 -27.244 11.286 25.214 1.00 19.52 C ATOM 2007 H PHE B 89 -29.974 16.095 21.274 1.00 0.00 H ATOM 2008 N MET B 90 -26.934 14.456 20.935 1.00 18.38 N ATOM 2009 CA MET B 90 -25.716 13.838 20.418 1.00 17.87 C ATOM 2010 C MET B 90 -24.563 14.826 20.452 1.00 17.56 C ATOM 2011 O MET B 90 -23.427 14.453 20.712 1.00 16.81 O ATOM 2012 CB MET B 90 -25.916 13.378 18.959 1.00 18.18 C ATOM 2013 CG MET B 90 -26.868 12.223 18.758 1.00 18.80 C ATOM 2014 SD MET B 90 -27.011 11.881 16.976 1.00 19.73 S ATOM 2015 CE MET B 90 -28.101 10.491 17.035 1.00 20.09 C ATOM 2016 H MET B 90 -27.762 14.534 20.310 1.00 0.00 H ATOM 2017 N TYR B 91 -24.871 16.080 20.151 1.00 18.16 N ATOM 2018 CA TYR B 91 -23.895 17.148 20.080 1.00 18.13 C ATOM 2019 C TYR B 91 -23.709 17.912 21.395 1.00 18.62 C ATOM 2020 O TYR B 91 -22.854 18.783 21.464 1.00 18.80 O ATOM 2021 CB TYR B 91 -24.292 18.130 18.977 1.00 18.68 C ATOM 2022 CG TYR B 91 -23.928 17.702 17.564 1.00 18.51 C ATOM 2023 CD1 TYR B 91 -22.674 18.011 17.023 1.00 18.21 C ATOM 2024 CD2 TYR B 91 -24.837 17.042 16.752 1.00 18.96 C ATOM 2025 CE1 TYR B 91 -22.338 17.648 15.708 1.00 18.42 C ATOM 2026 CE2 TYR B 91 -24.499 16.664 15.437 1.00 19.03 C ATOM 2027 CZ TYR B 91 -23.245 16.962 14.928 1.00 18.76 C ATOM 2028 OH TYR B 91 -22.910 16.605 13.618 1.00 19.47 O ATOM 2029 HH TYR B 91 -21.983 16.894 13.425 1.00 0.00 H ATOM 2030 H TYR B 91 -25.866 16.309 19.955 1.00 0.00 H ATOM 2031 N THR B 92 -24.511 17.629 22.425 1.00 19.25 N ATOM 2032 CA THR B 92 -24.440 18.420 23.657 1.00 20.03 C ATOM 2033 C THR B 92 -24.317 17.660 24.957 1.00 20.56 C ATOM 2034 O THR B 92 -23.857 18.261 25.933 1.00 21.44 O ATOM 2035 CB THR B 92 -25.641 19.393 23.820 1.00 20.86 C ATOM 2036 OG1 THR B 92 -26.861 18.656 24.013 1.00 20.71 O ATOM 2037 CG2 THR B 92 -25.760 20.345 22.625 1.00 21.12 C ATOM 2038 HG1 THR B 92 -27.021 18.074 23.228 1.00 0.00 H ATOM 2039 H THR B 92 -25.189 16.844 22.352 1.00 0.00 H ATOM 2040 N SER B 93 -24.718 16.380 24.979 1.00 21.16 N ATOM 2041 CA SER B 93 -24.936 15.592 26.210 1.00 22.36 C ATOM 2042 C SER B 93 -26.216 15.935 26.972 1.00 23.29 C ATOM 2043 O SER B 93 -26.525 15.267 27.962 1.00 23.02 O ATOM 2044 CB SER B 93 -23.760 15.684 27.182 1.00 22.95 C ATOM 2045 OG SER B 93 -22.556 15.499 26.480 1.00 24.46 O ATOM 2046 HG SER B 93 -21.795 15.559 27.111 1.00 0.00 H ATOM 2047 H SER B 93 -24.887 15.910 24.067 1.00 0.00 H ATOM 2048 N ARG B 94 -26.955 16.953 26.533 1.00 24.70 N ATOM 2049 CA ARG B 94 -28.132 17.419 27.261 1.00 26.56 C ATOM 2050 C ARG B 94 -29.407 16.903 26.597 1.00 26.52 C ATOM 2051 O ARG B 94 -29.625 17.102 25.384 1.00 25.49 O ATOM 2052 CB ARG B 94 -28.123 18.947 27.375 1.00 28.66 C ATOM 2053 CG ARG B 94 -26.970 19.505 28.204 1.00 30.35 C ATOM 2054 CD ARG B 94 -27.009 21.027 28.260 1.00 32.24 C ATOM 2055 NE ARG B 94 -26.518 21.624 27.005 1.00 33.53 N ATOM 2056 CZ ARG B 94 -27.033 22.696 26.383 1.00 35.31 C ATOM 2057 NH1 ARG B 94 -28.108 23.336 26.860 1.00 37.70 N ATOM 2058 NH2 ARG B 94 -26.483 23.132 25.249 1.00 34.91 N ATOM 2059 HE ARG B 94 -25.694 21.172 26.559 1.00 0.00 H ATOM 2060 HH12 ARG B 94 -28.486 24.164 26.357 1.00 0.00 H ATOM 2061 HH11 ARG B 94 -28.565 23.005 27.733 1.00 0.00 H ATOM 2062 HH22 ARG B 94 -26.880 23.962 24.764 1.00 0.00 H ATOM 2063 HH21 ARG B 94 -25.658 22.642 24.849 1.00 0.00 H ATOM 2064 H ARG B 94 -26.686 17.429 25.648 1.00 0.00 H ATOM 2065 N LEU B 95 -30.229 16.209 27.384 1.00 26.70 N ATOM 2066 CA LEU B 95 -31.502 15.643 26.914 1.00 27.59 C ATOM 2067 C LEU B 95 -32.622 16.394 27.629 1.00 29.49 C ATOM 2068 O LEU B 95 -32.800 16.275 28.854 1.00 28.84 O ATOM 2069 CB LEU B 95 -31.567 14.135 27.189 1.00 27.23 C ATOM 2070 CG LEU B 95 -32.748 13.343 26.615 1.00 27.78 C ATOM 2071 CD1 LEU B 95 -32.562 13.062 25.135 1.00 27.46 C ATOM 2072 CD2 LEU B 95 -32.956 12.033 27.360 1.00 27.87 C ATOM 2073 H LEU B 95 -29.957 16.061 28.377 1.00 0.00 H ATOM 2074 N ASN B 96 -33.347 17.192 26.854 1.00 31.54 N ATOM 2075 CA ASN B 96 -34.372 18.090 27.362 1.00 33.83 C ATOM 2076 C ASN B 96 -35.678 17.333 27.264 1.00 35.29 C ATOM 2077 O ASN B 96 -36.202 17.159 26.161 1.00 35.71 O ATOM 2078 CB ASN B 96 -34.394 19.354 26.508 1.00 35.07 C ATOM 2079 CG ASN B 96 -35.390 20.392 26.994 1.00 37.60 C ATOM 2080 OD1 ASN B 96 -35.623 20.570 28.208 1.00 39.39 O ATOM 2081 ND2 ASN B 96 -35.972 21.118 26.038 1.00 38.75 N ATOM 2082 HD22 ASN B 96 -35.749 20.936 25.039 1.00 0.00 H ATOM 2083 HD21 ASN B 96 -36.649 21.866 26.292 1.00 0.00 H ATOM 2084 H ASN B 96 -33.173 17.174 25.829 1.00 0.00 H ATOM 2085 N LEU B 97 -36.166 16.841 28.406 1.00 36.58 N ATOM 2086 CA LEU B 97 -37.376 16.010 28.468 1.00 38.02 C ATOM 2087 C LEU B 97 -38.531 16.736 29.144 1.00 41.24 C ATOM 2088 O LEU B 97 -38.352 17.408 30.154 1.00 42.42 O ATOM 2089 CB LEU B 97 -37.094 14.703 29.207 1.00 37.20 C ATOM 2090 CG LEU B 97 -36.135 13.711 28.557 1.00 35.67 C ATOM 2091 CD1 LEU B 97 -35.995 12.471 29.422 1.00 35.84 C ATOM 2092 CD2 LEU B 97 -36.581 13.334 27.148 1.00 35.40 C ATOM 2093 H LEU B 97 -35.666 17.056 29.292 1.00 0.00 H ATOM 2094 N ARG B 98 -39.723 16.578 28.575 1.00 43.76 N ATOM 2095 CA ARG B 98 -40.926 17.247 29.039 1.00 46.08 C ATOM 2096 C ARG B 98 -42.049 16.234 29.077 1.00 46.95 C ATOM 2097 O ARG B 98 -41.953 15.178 28.455 1.00 45.92 O ATOM 2098 CB ARG B 98 -41.283 18.402 28.097 1.00 48.05 C ATOM 2099 CG ARG B 98 -40.226 19.504 28.003 1.00 48.60 C ATOM 2100 CD ARG B 98 -40.198 20.365 29.264 1.00 50.13 C ATOM 2101 NE ARG B 98 -38.950 21.119 29.412 1.00 50.11 N ATOM 2102 CZ ARG B 98 -38.682 21.969 30.406 1.00 51.21 C ATOM 2103 NH1 ARG B 98 -37.506 22.603 30.437 1.00 50.67 N ATOM 2104 NH2 ARG B 98 -39.574 22.193 31.375 1.00 52.39 N ATOM 2105 HE ARG B 98 -38.217 20.981 28.687 1.00 0.00 H ATOM 2106 HH12 ARG B 98 -37.293 23.266 31.209 1.00 0.00 H ATOM 2107 HH11 ARG B 98 -36.804 22.433 29.689 1.00 0.00 H ATOM 2108 HH22 ARG B 98 -39.351 22.858 32.143 1.00 0.00 H ATOM 2109 HH21 ARG B 98 -40.491 21.702 31.361 1.00 0.00 H ATOM 2110 H ARG B 98 -39.798 15.942 27.755 1.00 0.00 H ATOM 2111 N GLU B 99 -43.105 16.551 29.826 1.00 48.71 N ATOM 2112 CA GLU B 99 -44.318 15.722 29.866 1.00 50.11 C ATOM 2113 C GLU B 99 -44.791 15.487 28.451 1.00 49.58 C ATOM 2114 O GLU B 99 -44.992 14.347 28.043 1.00 49.62 O ATOM 2115 CB GLU B 99 -45.426 16.401 30.690 1.00 52.20 C ATOM 2116 CG GLU B 99 -46.815 15.753 30.613 1.00 54.35 C ATOM 2117 CD GLU B 99 -47.850 16.431 31.507 1.00 56.52 C ATOM 2118 OE1 GLU B 99 -48.690 15.715 32.100 1.00 58.47 O ATOM 2119 OE2 GLU B 99 -47.836 17.680 31.617 1.00 57.18 O ATOM 2120 H GLU B 99 -43.069 17.416 30.403 1.00 0.00 H ATOM 2121 N GLY B 100 -44.918 16.581 27.701 1.00 49.82 N ATOM 2122 CA GLY B 100 -45.432 16.551 26.331 1.00 49.47 C ATOM 2123 C GLY B 100 -44.577 15.906 25.251 1.00 47.41 C ATOM 2124 O GLY B 100 -45.126 15.387 24.276 1.00 47.87 O ATOM 2125 H GLY B 100 -44.639 17.497 28.107 1.00 0.00 H ATOM 2126 N ASN B 101 -43.251 15.940 25.388 1.00 44.87 N ATOM 2127 CA ASN B 101 -42.368 15.360 24.358 1.00 42.80 C ATOM 2128 C ASN B 101 -41.793 13.974 24.679 1.00 41.14 C ATOM 2129 O ASN B 101 -41.231 13.353 23.793 1.00 39.57 O ATOM 2130 CB ASN B 101 -41.234 16.341 23.985 1.00 42.31 C ATOM 2131 CG ASN B 101 -40.129 16.432 25.033 1.00 41.73 C ATOM 2132 OD1 ASN B 101 -39.825 15.473 25.739 1.00 41.35 O ATOM 2133 ND2 ASN B 101 -39.493 17.598 25.110 1.00 42.53 N ATOM 2134 HD22 ASN B 101 -39.778 18.388 24.496 1.00 0.00 H ATOM 2135 HD21 ASN B 101 -38.710 17.720 25.784 1.00 0.00 H ATOM 2136 H ASN B 101 -42.834 16.381 26.232 1.00 0.00 H ATOM 2137 N ILE B 102 -41.920 13.501 25.921 1.00 40.68 N ATOM 2138 CA ILE B 102 -41.180 12.303 26.375 1.00 39.55 C ATOM 2139 C ILE B 102 -41.451 11.009 25.611 1.00 39.02 C ATOM 2140 O ILE B 102 -40.517 10.267 25.329 1.00 38.18 O ATOM 2141 CB ILE B 102 -41.342 12.006 27.889 1.00 40.43 C ATOM 2142 CG1 ILE B 102 -40.513 10.769 28.263 1.00 39.83 C ATOM 2143 CG2 ILE B 102 -42.797 11.777 28.291 1.00 42.54 C ATOM 2144 CD1 ILE B 102 -40.217 10.666 29.719 1.00 40.37 C ATOM 2145 H ILE B 102 -42.555 13.987 26.586 1.00 0.00 H ATOM 2146 N MET B 103 -42.712 10.717 25.315 1.00 39.88 N ATOM 2147 CA MET B 103 -43.049 9.509 24.536 1.00 40.05 C ATOM 2148 C MET B 103 -42.437 9.567 23.134 1.00 38.40 C ATOM 2149 O MET B 103 -41.893 8.575 22.633 1.00 37.34 O ATOM 2150 CB MET B 103 -44.572 9.279 24.452 1.00 42.37 C ATOM 2151 CG MET B 103 -45.056 8.130 25.328 1.00 43.63 C ATOM 2152 SD MET B 103 -44.647 8.279 27.079 1.00 45.23 S ATOM 2153 CE MET B 103 -44.970 6.604 27.624 1.00 45.25 C ATOM 2154 H MET B 103 -43.473 11.348 25.637 1.00 0.00 H ATOM 2155 N ALA B 104 -42.511 10.738 22.518 1.00 37.65 N ATOM 2156 CA ALA B 104 -41.965 10.918 21.197 1.00 36.53 C ATOM 2157 C ALA B 104 -40.443 10.690 21.226 1.00 34.91 C ATOM 2158 O ALA B 104 -39.910 10.013 20.355 1.00 34.79 O ATOM 2159 CB ALA B 104 -42.300 12.298 20.678 1.00 36.95 C ATOM 2160 H ALA B 104 -42.970 11.540 22.996 1.00 0.00 H ATOM 2161 N VAL B 105 -39.763 11.211 22.247 1.00 33.91 N ATOM 2162 CA VAL B 105 -38.299 11.047 22.374 1.00 32.16 C ATOM 2163 C VAL B 105 -37.917 9.573 22.587 1.00 31.99 C ATOM 2164 O VAL B 105 -36.978 9.068 21.962 1.00 31.78 O ATOM 2165 CB VAL B 105 -37.717 11.909 23.526 1.00 31.73 C ATOM 2166 CG1 VAL B 105 -36.229 11.603 23.756 1.00 30.18 C ATOM 2167 CG2 VAL B 105 -37.903 13.401 23.253 1.00 31.83 C ATOM 2168 H VAL B 105 -40.276 11.748 22.975 1.00 0.00 H ATOM 2169 N MET B 106 -38.650 8.896 23.468 1.00 32.80 N ATOM 2170 CA MET B 106 -38.419 7.474 23.763 1.00 32.62 C ATOM 2171 C MET B 106 -38.533 6.628 22.492 1.00 32.21 C ATOM 2172 O MET B 106 -37.658 5.810 22.214 1.00 31.31 O ATOM 2173 CB MET B 106 -39.421 6.983 24.811 1.00 34.44 C ATOM 2174 CG MET B 106 -39.005 5.743 25.585 1.00 34.95 C ATOM 2175 SD MET B 106 -39.670 5.721 27.283 1.00 36.34 S ATOM 2176 CE MET B 106 -41.407 6.031 26.966 1.00 37.78 C ATOM 2177 H MET B 106 -39.416 9.392 23.967 1.00 0.00 H ATOM 2178 N ALA B 107 -39.611 6.843 21.738 1.00 32.40 N ATOM 2179 CA ALA B 107 -39.848 6.124 20.484 1.00 32.54 C ATOM 2180 C ALA B 107 -38.826 6.467 19.421 1.00 30.91 C ATOM 2181 O ALA B 107 -38.428 5.596 18.652 1.00 31.25 O ATOM 2182 CB ALA B 107 -41.252 6.392 19.945 1.00 33.36 C ATOM 2183 H ALA B 107 -40.309 7.547 22.052 1.00 0.00 H ATOM 2184 N THR B 108 -38.412 7.729 19.359 1.00 30.04 N ATOM 2185 CA THR B 108 -37.367 8.117 18.423 1.00 28.97 C ATOM 2186 C THR B 108 -36.013 7.500 18.807 1.00 27.68 C ATOM 2187 O THR B 108 -35.241 7.108 17.936 1.00 25.93 O ATOM 2188 CB THR B 108 -37.224 9.642 18.287 1.00 28.93 C ATOM 2189 OG1 THR B 108 -38.508 10.233 18.114 1.00 29.53 O ATOM 2190 CG2 THR B 108 -36.380 9.968 17.065 1.00 28.43 C ATOM 2191 HG1 THR B 108 -39.074 10.025 18.899 1.00 0.00 H ATOM 2192 H THR B 108 -38.838 8.444 19.983 1.00 0.00 H ATOM 2193 N ALA B 109 -35.739 7.396 20.109 1.00 27.30 N ATOM 2194 CA ALA B 109 -34.495 6.768 20.580 1.00 26.72 C ATOM 2195 C ALA B 109 -34.428 5.281 20.250 1.00 27.30 C ATOM 2196 O ALA B 109 -33.349 4.772 19.910 1.00 26.27 O ATOM 2197 CB ALA B 109 -34.317 6.985 22.079 1.00 26.79 C ATOM 2198 H ALA B 109 -36.418 7.766 20.804 1.00 0.00 H ATOM 2199 N MET B 110 -35.569 4.583 20.336 1.00 28.58 N ATOM 2200 CA MET B 110 -35.649 3.170 19.939 1.00 29.91 C ATOM 2201 C MET B 110 -35.277 3.024 18.460 1.00 29.38 C ATOM 2202 O MET B 110 -34.487 2.160 18.079 1.00 29.32 O ATOM 2203 CB MET B 110 -37.076 2.628 20.109 1.00 32.44 C ATOM 2204 CG MET B 110 -37.584 2.482 21.533 1.00 34.33 C ATOM 2205 SD MET B 110 -39.406 2.434 21.653 1.00 38.55 S ATOM 2206 CE MET B 110 -39.899 1.445 20.236 1.00 39.14 C ATOM 2207 H MET B 110 -36.423 5.055 20.694 1.00 0.00 H ATOM 2208 N TYR B 111 -35.856 3.889 17.642 1.00 28.85 N ATOM 2209 CA TYR B 111 -35.676 3.853 16.189 1.00 28.65 C ATOM 2210 C TYR B 111 -34.220 4.067 15.840 1.00 27.29 C ATOM 2211 O TYR B 111 -33.678 3.390 14.966 1.00 27.06 O ATOM 2212 CB TYR B 111 -36.531 4.937 15.549 1.00 28.94 C ATOM 2213 CG TYR B 111 -36.433 5.045 14.049 1.00 29.42 C ATOM 2214 CD1 TYR B 111 -37.106 4.160 13.223 1.00 30.84 C ATOM 2215 CD2 TYR B 111 -35.711 6.056 13.462 1.00 29.11 C ATOM 2216 CE1 TYR B 111 -37.034 4.269 11.841 1.00 31.12 C ATOM 2217 CE2 TYR B 111 -35.626 6.168 12.084 1.00 29.81 C ATOM 2218 CZ TYR B 111 -36.302 5.283 11.283 1.00 30.52 C ATOM 2219 OH TYR B 111 -36.223 5.404 9.910 1.00 32.05 O ATOM 2220 HH TYR B 111 -36.765 4.692 9.485 1.00 0.00 H ATOM 2221 H TYR B 111 -36.466 4.627 18.049 1.00 0.00 H ATOM 2222 N LEU B 112 -33.585 5.000 16.541 1.00 26.35 N ATOM 2223 CA LEU B 112 -32.163 5.279 16.333 1.00 25.56 C ATOM 2224 C LEU B 112 -31.204 4.273 16.997 1.00 25.57 C ATOM 2225 O LEU B 112 -30.008 4.390 16.828 1.00 24.71 O ATOM 2226 CB LEU B 112 -31.857 6.712 16.765 1.00 24.82 C ATOM 2227 CG LEU B 112 -32.638 7.816 16.032 1.00 24.81 C ATOM 2228 CD1 LEU B 112 -32.216 9.183 16.555 1.00 24.23 C ATOM 2229 CD2 LEU B 112 -32.433 7.758 14.530 1.00 25.08 C ATOM 2230 H LEU B 112 -34.110 5.545 17.254 1.00 0.00 H ATOM 2231 N GLN B 113 -31.737 3.274 17.711 1.00 27.02 N ATOM 2232 CA GLN B 113 -30.949 2.278 18.457 1.00 27.57 C ATOM 2233 C GLN B 113 -30.018 2.947 19.468 1.00 27.13 C ATOM 2234 O GLN B 113 -28.792 2.741 19.447 1.00 27.81 O ATOM 2235 CB GLN B 113 -30.173 1.359 17.514 1.00 27.97 C ATOM 2236 CG GLN B 113 -31.040 0.659 16.487 1.00 29.04 C ATOM 2237 CD GLN B 113 -30.240 0.135 15.316 1.00 29.44 C ATOM 2238 OE1 GLN B 113 -29.058 -0.216 15.450 1.00 29.51 O ATOM 2239 NE2 GLN B 113 -30.871 0.078 14.162 1.00 29.92 N ATOM 2240 HE22 GLN B 113 -31.863 0.383 14.096 1.00 0.00 H ATOM 2241 HE21 GLN B 113 -30.377 -0.272 13.316 1.00 0.00 H ATOM 2242 H GLN B 113 -32.774 3.196 17.741 1.00 0.00 H ATOM 2243 N MET B 114 -30.614 3.785 20.306 1.00 26.41 N ATOM 2244 CA MET B 114 -29.933 4.445 21.404 1.00 25.96 C ATOM 2245 C MET B 114 -30.640 3.989 22.694 1.00 26.12 C ATOM 2246 O MET B 114 -31.366 4.760 23.332 1.00 25.33 O ATOM 2247 CB MET B 114 -30.000 5.963 21.241 1.00 26.07 C ATOM 2248 CG MET B 114 -29.309 6.502 20.002 1.00 26.01 C ATOM 2249 SD MET B 114 -29.661 8.245 19.688 1.00 26.63 S ATOM 2250 CE MET B 114 -28.577 9.059 20.868 1.00 26.33 C ATOM 2251 H MET B 114 -31.626 3.980 20.168 1.00 0.00 H ATOM 2252 N GLU B 115 -30.432 2.716 23.018 1.00 26.54 N ATOM 2253 CA GLU B 115 -31.120 2.035 24.111 1.00 27.97 C ATOM 2254 C GLU B 115 -30.936 2.701 25.464 1.00 26.79 C ATOM 2255 O GLU B 115 -31.890 2.769 26.240 1.00 27.95 O ATOM 2256 CB GLU B 115 -30.718 0.549 24.183 1.00 29.75 C ATOM 2257 CG GLU B 115 -31.272 -0.263 23.001 1.00 31.82 C ATOM 2258 CD GLU B 115 -31.528 -1.742 23.289 1.00 33.83 C ATOM 2259 OE1 GLU B 115 -31.604 -2.514 22.307 1.00 35.97 O ATOM 2260 OE2 GLU B 115 -31.662 -2.148 24.467 1.00 35.94 O ATOM 2261 H GLU B 115 -29.740 2.175 22.461 1.00 0.00 H ATOM 2262 N HIS B 116 -29.739 3.217 25.734 1.00 25.04 N ATOM 2263 CA HIS B 116 -29.454 3.899 27.013 1.00 24.27 C ATOM 2264 C HIS B 116 -30.290 5.186 27.257 1.00 24.12 C ATOM 2265 O HIS B 116 -30.590 5.529 28.421 1.00 23.99 O ATOM 2266 CB HIS B 116 -27.937 4.127 27.204 1.00 23.31 C ATOM 2267 CG HIS B 116 -27.392 5.322 26.486 1.00 22.25 C ATOM 2268 ND1 HIS B 116 -27.362 5.424 25.109 1.00 21.87 N ATOM 2269 CD2 HIS B 116 -26.829 6.456 26.959 1.00 21.71 C ATOM 2270 CE1 HIS B 116 -26.812 6.580 24.772 1.00 21.40 C ATOM 2271 NE2 HIS B 116 -26.485 7.225 25.876 1.00 21.29 N ATOM 2272 H HIS B 116 -28.983 3.138 25.024 1.00 0.00 H ATOM 2273 N VAL B 117 -30.719 5.840 26.178 1.00 23.61 N ATOM 2274 CA VAL B 117 -31.553 7.057 26.264 1.00 23.89 C ATOM 2275 C VAL B 117 -32.989 6.668 26.630 1.00 25.30 C ATOM 2276 O VAL B 117 -33.608 7.279 27.496 1.00 25.39 O ATOM 2277 CB VAL B 117 -31.479 7.880 24.951 1.00 23.26 C ATOM 2278 CG1 VAL B 117 -32.431 9.082 24.979 1.00 23.78 C ATOM 2279 CG2 VAL B 117 -30.045 8.346 24.714 1.00 22.17 C ATOM 2280 H VAL B 117 -30.457 5.480 25.238 1.00 0.00 H ATOM 2281 N VAL B 118 -33.469 5.614 25.984 1.00 26.36 N ATOM 2282 CA VAL B 118 -34.732 4.949 26.348 1.00 27.83 C ATOM 2283 C VAL B 118 -34.770 4.607 27.847 1.00 28.97 C ATOM 2284 O VAL B 118 -35.716 4.964 28.540 1.00 30.17 O ATOM 2285 CB VAL B 118 -34.940 3.647 25.545 1.00 28.28 C ATOM 2286 CG1 VAL B 118 -36.302 3.023 25.872 1.00 29.50 C ATOM 2287 CG2 VAL B 118 -34.798 3.900 24.043 1.00 27.94 C ATOM 2288 H VAL B 118 -32.927 5.238 25.180 1.00 0.00 H ATOM 2289 N ASP B 119 -33.736 3.916 28.324 1.00 29.40 N ATOM 2290 CA ASP B 119 -33.595 3.546 29.744 1.00 30.33 C ATOM 2291 C ASP B 119 -33.638 4.752 30.670 1.00 29.79 C ATOM 2292 O ASP B 119 -34.244 4.679 31.732 1.00 30.87 O ATOM 2293 CB ASP B 119 -32.276 2.783 29.975 1.00 30.69 C ATOM 2294 CG ASP B 119 -32.254 1.412 29.304 1.00 32.22 C ATOM 2295 OD1 ASP B 119 -33.295 0.945 28.805 1.00 34.67 O ATOM 2296 OD2 ASP B 119 -31.187 0.774 29.274 1.00 33.10 O ATOM 2297 H ASP B 119 -32.990 3.623 27.661 1.00 0.00 H ATOM 2298 N THR B 120 -32.985 5.848 30.276 1.00 28.62 N ATOM 2299 CA THR B 120 -33.023 7.094 31.039 1.00 28.67 C ATOM 2300 C THR B 120 -34.437 7.729 31.036 1.00 29.85 C ATOM 2301 O THR B 120 -34.917 8.210 32.076 1.00 29.59 O ATOM 2302 CB THR B 120 -31.940 8.080 30.558 1.00 27.38 C ATOM 2303 OG1 THR B 120 -30.658 7.428 30.570 1.00 26.40 O ATOM 2304 CG2 THR B 120 -31.875 9.306 31.447 1.00 27.43 C ATOM 2305 HG1 THR B 120 -30.682 6.644 29.966 1.00 0.00 H ATOM 2306 H THR B 120 -32.431 5.814 29.397 1.00 0.00 H ATOM 2307 N CYS B 121 -35.105 7.705 29.883 1.00 30.36 N ATOM 2308 CA CYS B 121 -36.541 8.060 29.817 1.00 32.39 C ATOM 2309 C CYS B 121 -37.441 7.198 30.723 1.00 33.67 C ATOM 2310 O CYS B 121 -38.410 7.712 31.299 1.00 34.51 O ATOM 2311 CB CYS B 121 -37.059 8.008 28.379 1.00 32.63 C ATOM 2312 SG CYS B 121 -36.319 9.258 27.315 1.00 33.79 S ATOM 2313 H CYS B 121 -34.607 7.431 29.012 1.00 0.00 H ATOM 2314 N ARG B 122 -37.137 5.902 30.834 1.00 34.14 N ATOM 2315 CA ARG B 122 -37.887 5.010 31.738 1.00 35.69 C ATOM 2316 C ARG B 122 -37.657 5.352 33.205 1.00 36.72 C ATOM 2317 O ARG B 122 -38.573 5.222 34.007 1.00 37.98 O ATOM 2318 CB ARG B 122 -37.542 3.538 31.499 1.00 35.72 C ATOM 2319 CG ARG B 122 -37.998 2.995 30.153 1.00 35.69 C ATOM 2320 CD ARG B 122 -37.516 1.572 29.898 1.00 36.07 C ATOM 2321 NE ARG B 122 -38.162 0.575 30.761 1.00 37.91 N ATOM 2322 CZ ARG B 122 -38.362 -0.717 30.460 1.00 39.02 C ATOM 2323 NH1 ARG B 122 -38.004 -1.243 29.281 1.00 38.70 N ATOM 2324 NH2 ARG B 122 -38.962 -1.500 31.352 1.00 40.25 N ATOM 2325 HE ARG B 122 -38.495 0.900 31.691 1.00 0.00 H ATOM 2326 HH12 ARG B 122 -38.177 -2.250 29.087 1.00 0.00 H ATOM 2327 HH11 ARG B 122 -37.553 -0.644 28.560 1.00 0.00 H ATOM 2328 HH22 ARG B 122 -39.125 -2.504 31.136 1.00 0.00 H ATOM 2329 HH21 ARG B 122 -39.268 -1.108 32.266 1.00 0.00 H ATOM 2330 H ARG B 122 -36.354 5.513 30.270 1.00 0.00 H ATOM 2331 N LYS B 123 -36.441 5.775 33.557 1.00 36.60 N ATOM 2332 CA LYS B 123 -36.119 6.184 34.933 1.00 37.87 C ATOM 2333 C LYS B 123 -36.784 7.516 35.253 1.00 38.20 C ATOM 2334 O LYS B 123 -37.301 7.713 36.352 1.00 37.66 O ATOM 2335 CB LYS B 123 -34.612 6.322 35.141 1.00 37.78 C ATOM 2336 CG LYS B 123 -33.802 5.045 34.944 1.00 38.53 C ATOM 2337 CD LYS B 123 -33.407 4.368 36.259 1.00 40.09 C ATOM 2338 CE LYS B 123 -32.150 3.521 36.090 1.00 39.84 C ATOM 2339 NZ LYS B 123 -32.418 2.240 35.379 1.00 40.66 N ATOM 2340 HZ1 LYS B 123 -33.110 1.683 35.920 1.00 0.00 H ATOM 2341 HZ2 LYS B 123 -32.798 2.443 34.432 1.00 0.00 H ATOM 2342 HZ3 LYS B 123 -31.532 1.702 35.290 1.00 0.00 H ATOM 2343 H LYS B 123 -35.695 5.817 32.833 1.00 0.00 H ATOM 2344 N PHE B 124 -36.764 8.416 34.276 1.00 38.16 N ATOM 2345 CA PHE B 124 -37.465 9.698 34.349 1.00 40.23 C ATOM 2346 C PHE B 124 -38.954 9.520 34.668 1.00 41.23 C ATOM 2347 O PHE B 124 -39.469 10.171 35.579 1.00 43.12 O ATOM 2348 CB PHE B 124 -37.280 10.456 33.025 1.00 40.96 C ATOM 2349 CG PHE B 124 -38.010 11.775 32.950 1.00 43.11 C ATOM 2350 CD1 PHE B 124 -37.414 12.953 33.382 1.00 43.71 C ATOM 2351 CD2 PHE B 124 -39.282 11.839 32.414 1.00 45.13 C ATOM 2352 CE1 PHE B 124 -38.090 14.163 33.291 1.00 44.84 C ATOM 2353 CE2 PHE B 124 -39.965 13.043 32.311 1.00 46.25 C ATOM 2354 CZ PHE B 124 -39.366 14.211 32.752 1.00 45.95 C ATOM 2355 H PHE B 124 -36.222 8.198 33.415 1.00 0.00 H ATOM 2356 N ILE B 125 -39.622 8.625 33.940 1.00 40.80 N ATOM 2357 CA ILE B 125 -41.035 8.273 34.190 1.00 42.18 C ATOM 2358 C ILE B 125 -41.238 7.711 35.606 1.00 43.42 C ATOM 2359 O ILE B 125 -42.167 8.115 36.306 1.00 44.50 O ATOM 2360 CB ILE B 125 -41.568 7.261 33.146 1.00 41.76 C ATOM 2361 CG1 ILE B 125 -41.660 7.908 31.756 1.00 40.76 C ATOM 2362 CG2 ILE B 125 -42.938 6.726 33.546 1.00 43.27 C ATOM 2363 CD1 ILE B 125 -41.602 6.917 30.617 1.00 40.25 C ATOM 2364 H ILE B 125 -39.125 8.152 33.159 1.00 0.00 H ATOM 2365 N LYS B 126 -40.375 6.782 36.012 1.00 43.61 N ATOM 2366 CA LYS B 126 -40.360 6.284 37.399 1.00 45.90 C ATOM 2367 C LYS B 126 -40.158 7.383 38.456 1.00 47.14 C ATOM 2368 O LYS B 126 -40.578 7.206 39.590 1.00 47.80 O ATOM 2369 CB LYS B 126 -39.264 5.239 37.595 1.00 45.25 C ATOM 2370 CG LYS B 126 -39.514 3.886 36.959 1.00 45.56 C ATOM 2371 CD LYS B 126 -40.302 2.983 37.884 1.00 47.36 C ATOM 2372 CE LYS B 126 -39.476 2.443 39.049 1.00 47.31 C ATOM 2373 NZ LYS B 126 -40.358 1.925 40.134 1.00 48.94 N ATOM 2374 HZ1 LYS B 126 -40.965 2.694 40.483 1.00 0.00 H ATOM 2375 HZ2 LYS B 126 -40.951 1.157 39.760 1.00 0.00 H ATOM 2376 HZ3 LYS B 126 -39.771 1.564 40.913 1.00 0.00 H ATOM 2377 H LYS B 126 -39.691 6.396 35.330 1.00 0.00 H ATOM 2378 N ALA B 127 -39.498 8.485 38.085 1.00 48.06 N ATOM 2379 CA ALA B 127 -39.208 9.591 39.005 1.00 50.13 C ATOM 2380 C ALA B 127 -40.471 10.215 39.567 1.00 53.31 C ATOM 2381 O ALA B 127 -40.660 10.227 40.788 1.00 55.10 O ATOM 2382 CB ALA B 127 -38.342 10.661 38.342 1.00 48.98 C ATOM 2383 H ALA B 127 -39.175 8.562 37.099 1.00 0.00 H ATOM 2384 N SER B 128 -41.337 10.720 38.687 1.00 55.20 N ATOM 2385 CA SER B 128 -42.619 11.296 39.117 1.00 57.80 C ATOM 2386 C SER B 128 -43.585 10.155 39.440 1.00 59.26 C ATOM 2387 O SER B 128 -44.799 10.284 39.320 1.00 61.66 O ATOM 2388 CB SER B 128 -43.183 12.231 38.043 1.00 58.22 C ATOM 2389 OG SER B 128 -43.199 11.584 36.783 1.00 58.02 O ATOM 2390 HG SER B 128 -43.566 12.201 36.101 1.00 0.00 H ATOM 2391 H SER B 128 -41.100 10.706 37.674 1.00 0.00 H TER 2392 SER B 128 HETATM 2393 O HOH 1 -7.999 19.001 25.789 1.00 19.70 O HETATM 2394 O HOH 2 7.876 31.386 31.682 1.00 45.19 O HETATM 2395 O HOH 3 -5.814 15.428 -2.007 1.00 28.88 O HETATM 2396 O HOH 4 -15.862 -5.195 19.188 1.00 39.59 O HETATM 2397 O HOH 5 10.343 22.760 6.551 1.00 34.74 O HETATM 2398 O HOH 6 -4.147 27.559 27.670 1.00 38.55 O HETATM 2399 O HOH 7 -11.791 13.551 28.302 1.00 23.50 O HETATM 2400 O HOH 8 -1.992 8.314 16.007 1.00 46.94 O HETATM 2401 O HOH 9 -1.079 4.806 20.111 1.00 43.83 O HETATM 2402 O HOH 10 4.955 16.896 5.031 1.00 17.97 O HETATM 2403 O HOH 11 -7.603 5.317 9.778 1.00 39.49 O HETATM 2404 O HOH 12 -0.827 10.571 23.440 1.00 22.63 O HETATM 2405 O HOH 13 -12.984 9.073 25.521 1.00 30.16 O HETATM 2406 O HOH 14 -22.884 8.108 28.032 1.00 23.10 O HETATM 2407 O HOH 15 -20.662 14.221 28.524 1.00 15.19 O HETATM 2408 O HOH 16 -11.443 7.667 22.992 1.00 20.28 O HETATM 2409 O HOH 17 -9.894 5.293 22.666 1.00 28.24 O HETATM 2410 O HOH 18 -10.037 24.184 -4.091 1.00 39.55 O HETATM 2411 O HOH 19 -17.762 12.728 29.008 1.00 23.48 O HETATM 2412 O HOH 20 -11.745 3.675 21.096 1.00 38.12 O HETATM 2413 O HOH 21 9.119 10.590 6.763 1.00 22.82 O HETATM 2414 O HOH 22 8.177 18.634 16.058 1.00 32.11 O HETATM 2415 O HOH 23 -3.275 5.897 9.725 1.00 26.75 O HETATM 2416 O HOH 24 -14.933 4.599 4.908 1.00 38.33 O HETATM 2417 O HOH 25 12.001 15.149 22.367 1.00 37.63 O HETATM 2418 O HOH 26 -16.416 14.061 22.140 1.00 25.70 O HETATM 2419 O HOH 27 -5.859 7.561 0.658 1.00 36.81 O HETATM 2420 O HOH 28 -5.692 4.364 20.003 1.00 31.06 O HETATM 2421 O HOH 29 4.252 4.689 7.329 1.00 42.89 O HETATM 2422 O HOH 30 -18.446 3.082 24.995 1.00 51.80 O HETATM 2423 O HOH 31 0.397 23.856 7.457 1.00 46.88 O HETATM 2424 O HOH 32 -10.108 2.344 19.084 1.00 37.82 O HETATM 2425 O HOH 33 -0.522 20.731 1.178 1.00 33.34 O HETATM 2426 O HOH 34 -7.447 2.508 18.354 1.00 38.94 O HETATM 2427 O HOH 35 3.923 22.634 4.613 1.00 45.83 O HETATM 2428 O HOH 36 6.164 7.255 16.208 1.00 46.90 O HETATM 2429 O HOH 37 -5.466 3.269 9.305 1.00 45.92 O HETATM 2430 O HOH 38 -25.617 6.870 21.797 1.00 30.02 O HETATM 2431 O HOH 39 -28.319 20.835 13.116 1.00 25.16 O HETATM 2432 O HOH 40 -24.566 9.046 26.066 1.00 18.97 O HETATM 2433 O HOH 41 -17.952 23.053 5.081 1.00 34.80 O HETATM 2434 O HOH 42 -43.280 17.348 16.530 1.00 39.33 O HETATM 2435 O HOH 43 -21.598 20.615 23.146 1.00 22.95 O HETATM 2436 O HOH 44 -31.897 17.538 23.777 1.00 25.11 O HETATM 2437 O HOH 45 -45.346 12.128 26.346 1.00 42.52 O HETATM 2438 O HOH 46 -30.709 10.480 -1.105 1.00 31.87 O HETATM 2439 O HOH 47 -14.812 15.274 28.958 1.00 21.93 O HETATM 2440 O HOH 48 -9.671 19.816 27.822 1.00 18.41 O HETATM 2441 O HOH 49 -25.748 23.341 16.783 1.00 40.72 O HETATM 2442 O HOH 50 -19.743 19.233 25.442 1.00 29.51 O HETATM 2443 O HOH 51 -18.522 13.233 9.199 1.00 26.57 O HETATM 2444 O HOH 52 -21.063 24.451 21.252 1.00 32.97 O HETATM 2445 O HOH 53 -20.685 27.884 6.490 1.00 37.00 O HETATM 2446 O HOH 54 -40.042 3.428 17.458 1.00 36.32 O HETATM 2447 O HOH 55 -26.130 24.087 9.859 1.00 43.10 O HETATM 2448 O HOH 56 -44.792 12.680 22.877 1.00 39.54 O HETATM 2449 O HOH 57 -41.038 9.232 16.681 1.00 33.72 O HETATM 2450 O HOH 58 -29.793 22.169 10.693 1.00 34.84 O HETATM 2451 O HOH 59 -29.213 -1.535 26.546 1.00 41.41 O HETATM 2452 O HOH 60 -25.521 -1.886 13.895 1.00 40.17 O HETATM 2453 O HOH 61 -31.624 24.292 27.215 1.00 40.60 O HETATM 2454 O HOH 62 -32.633 7.456 1.625 1.00 41.58 O HETATM 2455 O HOH 63 -33.883 4.695 6.806 1.00 41.62 O HETATM 2456 O HOH 64 -27.295 27.101 7.494 1.00 50.34 O HETATM 2457 O HOH 65 -42.711 4.958 14.330 1.00 45.18 O HETATM 2458 O HOH 66 -34.118 7.988 -2.356 1.00 44.02 O HETATM 2459 O HOH 67 -27.970 1.377 21.709 1.00 23.80 O HETATM 2460 O HOH 68 -24.660 5.808 38.794 1.00 36.97 O HETATM 2461 O HOH 69 -27.075 8.024 36.775 1.00 23.81 O HETATM 2462 O HOH 70 -23.772 9.610 31.091 1.00 14.38 O HETATM 2463 O HOH 71 -26.600 4.057 22.612 1.00 29.81 O HETATM 2464 O HOH 72 -26.249 1.779 29.464 1.00 27.96 O HETATM 2465 O HOH 73 -29.857 7.388 33.303 1.00 32.92 O HETATM 2466 O HOH 74 -23.860 2.522 32.785 1.00 29.25 O HETATM 2467 O HOH 75 -23.223 -1.909 20.825 1.00 31.31 O HETATM 2468 O HOH 76 -28.533 23.744 38.717 1.00 41.23 O HETATM 2469 O HOH 77 -25.880 -3.259 25.730 1.00 41.17 O HETATM 2470 O HOH 78 -5.047 26.967 21.319 1.00 32.65 O HETATM 2471 O HOH 79 -6.096 23.986 22.306 1.00 27.39 O HETATM 2472 O HOH 80 -5.047 19.923 36.480 1.00 23.48 O HETATM 2473 O HOH 81 -8.778 18.319 30.878 1.00 17.04 O HETATM 2474 O HOH 82 -9.812 29.893 19.700 1.00 34.67 O HETATM 2475 O HOH 83 -2.638 20.901 32.795 1.00 24.06 O HETATM 2476 O HOH 84 -6.407 26.506 29.296 1.00 39.88 O HETATM 2477 O HOH 85 -8.259 25.671 32.616 1.00 31.76 O HETATM 2478 O HOH 86 -13.351 24.802 24.142 1.00 42.53 O HETATM 2479 O HOH 87 -4.530 4.194 37.979 1.00 45.13 O HETATM 2480 O HOH 88 -7.162 30.913 26.096 1.00 45.48 O HETATM 2481 O HOH 89 -12.070 17.113 38.935 1.00 48.14 O HETATM 2482 N LEU A 90 -30.836 21.358 36.418 1.00 0.24 N HETATM 2483 CA LEU A 90 -29.993 20.370 35.719 1.00 0.07 C HETATM 2484 C LEU A 90 -29.794 19.094 36.564 1.00 0.23 C HETATM 2485 O LEU A 90 -29.308 19.162 37.706 1.00 -0.39 O HETATM 2486 N LEU A 90 -30.185 17.944 36.004 1.00 -0.26 N HETATM 2487 CA LEU A 90 -29.913 16.639 36.623 1.00 0.14 C HETATM 2488 C LEU A 90 -28.887 15.865 35.810 1.00 0.21 C HETATM 2489 O LEU A 90 -28.924 15.877 34.560 1.00 -0.39 O HETATM 2490 N LEU A 90 -27.953 15.223 36.505 1.00 -0.26 N HETATM 2491 CA LEU A 90 -26.880 14.460 35.847 1.00 0.14 C HETATM 2492 C LEU A 90 -27.064 12.949 36.030 1.00 0.21 C HETATM 2493 O LEU A 90 -27.456 12.471 37.114 1.00 -0.39 O HETATM 2494 N LEU A 90 -26.756 12.218 34.959 1.00 -0.26 N HETATM 2495 CA LEU A 90 -26.643 10.768 34.968 1.00 0.16 C HETATM 2496 C LEU A 90 -25.299 10.360 34.371 1.00 0.21 C HETATM 2497 O LEU A 90 -24.839 10.943 33.395 1.00 -0.39 O HETATM 2498 N LEU A 90 -24.724 9.304 34.921 1.00 -0.26 N HETATM 2499 CA LEU A 90 -23.465 8.763 34.420 1.00 0.14 C HETATM 2500 C LEU A 90 -23.682 7.484 33.588 1.00 0.21 C HETATM 2501 O LEU A 90 -22.764 6.731 33.362 1.00 -0.39 O HETATM 2502 N LEU A 90 -24.896 7.245 33.119 1.00 -0.26 N HETATM 2503 CA LEU A 90 -25.162 6.046 32.349 1.00 0.13 C HETATM 2504 C LEU A 90 -24.217 5.971 31.123 1.00 0.20 C HETATM 2505 O LEU A 90 -23.863 7.001 30.527 1.00 -0.39 O HETATM 2506 N LEU A 90 -23.768 4.756 30.816 1.00 -0.26 N HETATM 2507 CA LEU A 90 -22.824 4.516 29.709 1.00 0.13 C HETATM 2508 C LEU A 90 -23.600 4.338 28.422 1.00 0.20 C HETATM 2509 O LEU A 90 -24.650 3.731 28.403 1.00 -0.39 O HETATM 2510 N LEU A 90 -23.078 4.864 27.331 1.00 -0.26 N HETATM 2511 CA LEU A 90 -23.694 4.661 26.041 1.00 0.13 C HETATM 2512 C LEU A 90 -23.827 3.161 25.725 1.00 0.20 C HETATM 2513 O LEU A 90 -22.864 2.403 25.884 1.00 -0.39 O HETATM 2514 N LEU A 90 -25.023 2.740 25.295 1.00 -0.26 N HETATM 2515 CA LEU A 90 -25.250 1.371 24.854 1.00 0.15 C HETATM 2516 C LEU A 90 -24.681 1.121 23.432 1.00 0.21 C HETATM 2517 O LEU A 90 -24.233 0.016 23.143 1.00 -0.39 O HETATM 2518 N LEU A 90 -24.691 2.129 22.554 1.00 -0.26 N HETATM 2519 CA LEU A 90 -24.103 1.951 21.210 1.00 0.14 C HETATM 2520 C LEU A 90 -22.562 1.890 21.215 1.00 0.21 C HETATM 2521 O LEU A 90 -21.906 2.826 21.652 1.00 -0.39 O HETATM 2522 N LEU A 90 -22.002 0.807 20.682 1.00 -0.26 N HETATM 2523 CA LEU A 90 -20.549 0.683 20.502 1.00 0.13 C HETATM 2524 C LEU A 90 -20.198 0.308 19.049 1.00 0.20 C HETATM 2525 O LEU A 90 -20.677 -0.682 18.515 1.00 -0.39 O HETATM 2526 N LEU A 90 -19.320 1.097 18.442 1.00 -0.26 N HETATM 2527 CA LEU A 90 -18.853 0.850 17.075 1.00 0.13 C HETATM 2528 C LEU A 90 -18.188 -0.543 17.084 1.00 0.21 C HETATM 2529 O LEU A 90 -17.415 -0.835 17.975 1.00 -0.39 O HETATM 2530 N LEU A 90 -18.558 -1.442 16.156 1.00 -0.26 N HETATM 2531 CA LEU A 90 -17.935 -2.774 16.204 1.00 0.10 C HETATM 2532 C LEU A 90 -16.401 -2.747 16.101 1.00 0.06 C HETATM 2533 O LEU A 90 -15.792 -2.045 15.275 1.00 -0.57 O HETATM 2534 OXT LEU A 90 -15.726 -3.413 16.890 1.00 -0.57 O HETATM 2535 CB LEU A 90 -18.568 -3.529 15.012 1.00 -0.02 C HETATM 2536 CG LEU A 90 -19.575 -2.618 14.402 1.00 -0.03 C HETATM 2537 CD LEU A 90 -19.708 -1.392 15.238 1.00 0.04 C HETATM 2538 H119 LEU A 90 -19.666 -0.489 14.612 1.00 0.05 H HETATM 2539 H120 LEU A 90 -20.654 -1.405 15.799 1.00 0.05 H HETATM 2540 H117 LEU A 90 -20.547 -3.131 14.346 1.00 0.03 H HETATM 2541 H118 LEU A 90 -19.250 -2.337 13.389 1.00 0.03 H HETATM 2542 H115 LEU A 90 -19.056 -4.449 15.365 1.00 0.03 H HETATM 2543 H116 LEU A 90 -17.794 -3.785 14.273 1.00 0.03 H HETATM 2544 H114 LEU A 90 -18.204 -3.270 17.148 1.00 0.07 H HETATM 2545 CB LEU A 90 -17.937 2.017 16.605 1.00 -0.01 C HETATM 2546 CG1 LEU A 90 -17.146 1.673 15.348 1.00 -0.06 C HETATM 2547 H108 LEU A 90 -16.519 2.531 15.063 1.00 0.02 H HETATM 2548 H109 LEU A 90 -17.842 1.440 14.529 1.00 0.02 H HETATM 2549 H110 LEU A 90 -16.506 0.800 15.545 1.00 0.02 H HETATM 2550 CG2 LEU A 90 -18.778 3.261 16.380 1.00 -0.06 C HETATM 2551 H111 LEU A 90 -19.341 3.494 17.296 1.00 0.02 H HETATM 2552 H112 LEU A 90 -19.481 3.084 15.553 1.00 0.02 H HETATM 2553 H113 LEU A 90 -18.121 4.107 16.128 1.00 0.02 H HETATM 2554 H107 LEU A 90 -17.215 2.227 17.409 1.00 0.03 H HETATM 2555 H106 LEU A 90 -19.718 0.814 16.397 1.00 0.08 H HETATM 2556 H105 LEU A 90 -18.964 1.890 18.936 1.00 0.19 H HETATM 2557 CB LEU A 90 -19.950 -0.334 21.477 1.00 -0.01 C HETATM 2558 CG LEU A 90 -18.416 -0.276 21.546 1.00 -0.02 C HETATM 2559 CD LEU A 90 -17.852 -0.733 22.897 1.00 0.06 C HETATM 2560 NE LEU A 90 -17.649 -2.185 22.974 1.00 -0.27 N HETATM 2561 CZ LEU A 90 -16.488 -2.838 22.791 1.00 0.29 C HETATM 2562 NH1 LEU A 90 -16.458 -4.168 22.889 1.00 -0.28 N HETATM 2563 H101 LEU A 90 -15.572 -4.675 22.750 1.00 0.26 H HETATM 2564 H102 LEU A 90 -17.321 -4.688 23.104 1.00 0.26 H HETATM 2565 NH2 LEU A 90 -15.352 -2.197 22.514 1.00 -0.28 N HETATM 2566 H103 LEU A 90 -15.347 -1.170 22.433 1.00 0.26 H HETATM 2567 H104 LEU A 90 -14.480 -2.729 22.381 1.00 0.26 H HETATM 2568 H100 LEU A 90 -18.477 -2.759 23.189 1.00 0.26 H HETATM 2569 H98 LEU A 90 -18.555 -0.435 23.689 1.00 0.07 H HETATM 2570 H99 LEU A 90 -16.885 -0.235 23.059 1.00 0.07 H HETATM 2571 H96 LEU A 90 -18.097 0.762 21.368 1.00 0.03 H HETATM 2572 H97 LEU A 90 -18.006 -0.926 20.759 1.00 0.03 H HETATM 2573 H94 LEU A 90 -20.247 -1.343 21.156 1.00 0.03 H HETATM 2574 H95 LEU A 90 -20.353 -0.135 22.481 1.00 0.03 H HETATM 2575 H93 LEU A 90 -20.099 1.663 20.717 1.00 0.08 H HETATM 2576 H92 LEU A 90 -22.590 0.051 20.394 1.00 0.19 H HETATM 2577 CB LEU A 90 -24.573 3.025 20.218 1.00 0.00 C HETATM 2578 CG LEU A 90 -23.833 2.913 18.928 1.00 -0.04 C HETATM 2579 CD1 LEU A 90 -22.973 3.838 18.394 1.00 0.02 C HETATM 2580 NE1 LEU A 90 -22.438 3.364 17.215 1.00 -0.29 N HETATM 2581 CE2 LEU A 90 -22.918 2.101 16.992 1.00 0.06 C HETATM 2582 CD2 LEU A 90 -23.796 1.783 18.053 1.00 -0.02 C HETATM 2583 CE3 LEU A 90 -24.430 0.531 18.050 1.00 -0.07 C HETATM 2584 CZ3 LEU A 90 -24.173 -0.358 16.988 1.00 -0.08 C HETATM 2585 CH2 LEU A 90 -23.308 -0.006 15.951 1.00 -0.08 C HETATM 2586 CZ2 LEU A 90 -22.679 1.221 15.926 1.00 -0.04 C HETATM 2587 H89 LEU A 90 -22.021 1.496 15.109 1.00 0.05 H HETATM 2588 H91 LEU A 90 -23.127 -0.712 15.148 1.00 0.05 H HETATM 2589 H90 LEU A 90 -24.654 -1.329 16.976 1.00 0.05 H HETATM 2590 H88 LEU A 90 -25.106 0.253 18.851 1.00 0.05 H HETATM 2591 H87 LEU A 90 -21.785 3.875 16.603 1.00 0.22 H HETATM 2592 H86 LEU A 90 -22.746 4.806 18.837 1.00 0.08 H HETATM 2593 H84 LEU A 90 -24.394 4.020 20.652 1.00 0.04 H HETATM 2594 H85 LEU A 90 -25.649 2.896 20.029 1.00 0.04 H HETATM 2595 H83 LEU A 90 -24.463 0.981 20.837 1.00 0.08 H HETATM 2596 H82 LEU A 90 -25.098 3.007 22.808 1.00 0.19 H HETATM 2597 CB LEU A 90 -26.750 1.020 24.931 1.00 0.08 C HETATM 2598 OG LEU A 90 -27.527 1.727 23.974 1.00 -0.39 O HETATM 2599 H81 LEU A 90 -27.222 1.514 23.100 1.00 0.21 H HETATM 2600 H79 LEU A 90 -27.119 1.269 25.937 1.00 0.06 H HETATM 2601 H80 LEU A 90 -26.869 -0.059 24.753 1.00 0.06 H HETATM 2602 H78 LEU A 90 -24.714 0.705 25.546 1.00 0.08 H HETATM 2603 H77 LEU A 90 -25.785 3.387 25.276 1.00 0.19 H HETATM 2604 CB LEU A 90 -22.865 5.389 24.989 1.00 -0.00 C HETATM 2605 CG LEU A 90 -23.397 5.301 23.598 1.00 -0.00 C HETATM 2606 SD LEU A 90 -22.409 6.258 22.431 1.00 -0.16 S HETATM 2607 CE LEU A 90 -22.680 7.956 22.883 1.00 -0.02 C HETATM 2608 H74 LEU A 90 -22.105 8.611 22.211 1.00 0.03 H HETATM 2609 H75 LEU A 90 -22.351 8.116 23.920 1.00 0.03 H HETATM 2610 H76 LEU A 90 -23.751 8.192 22.797 1.00 0.03 H HETATM 2611 H72 LEU A 90 -24.428 5.684 23.588 1.00 0.04 H HETATM 2612 H73 LEU A 90 -23.395 4.247 23.284 1.00 0.04 H HETATM 2613 H70 LEU A 90 -21.852 4.960 24.995 1.00 0.03 H HETATM 2614 H71 LEU A 90 -22.815 6.452 25.269 1.00 0.03 H HETATM 2615 H69 LEU A 90 -24.703 5.098 26.057 1.00 0.08 H HETATM 2616 H68 LEU A 90 -22.244 5.411 27.398 1.00 0.19 H HETATM 2617 CB LEU A 90 -21.946 3.268 29.975 1.00 -0.01 C HETATM 2618 CG LEU A 90 -20.779 3.517 30.941 1.00 -0.02 C HETATM 2619 CD LEU A 90 -20.001 2.256 31.385 1.00 0.06 C HETATM 2620 NE LEU A 90 -20.295 1.836 32.783 1.00 -0.27 N HETATM 2621 CZ LEU A 90 -21.246 0.969 33.175 1.00 0.29 C HETATM 2622 NH1 LEU A 90 -22.050 0.355 32.290 1.00 -0.28 N HETATM 2623 H64 LEU A 90 -22.770 -0.304 32.619 1.00 0.26 H HETATM 2624 H65 LEU A 90 -21.946 0.544 31.283 1.00 0.26 H HETATM 2625 NH2 LEU A 90 -21.401 0.697 34.475 1.00 -0.28 N HETATM 2626 H66 LEU A 90 -20.797 1.155 35.172 1.00 0.26 H HETATM 2627 H67 LEU A 90 -22.124 0.030 34.779 1.00 0.26 H HETATM 2628 H63 LEU A 90 -19.712 2.251 33.524 1.00 0.26 H HETATM 2629 H61 LEU A 90 -18.924 2.465 31.304 1.00 0.07 H HETATM 2630 H62 LEU A 90 -20.266 1.429 30.710 1.00 0.07 H HETATM 2631 H59 LEU A 90 -21.183 4.001 31.843 1.00 0.03 H HETATM 2632 H60 LEU A 90 -20.069 4.197 30.447 1.00 0.03 H HETATM 2633 H57 LEU A 90 -21.533 2.925 29.015 1.00 0.03 H HETATM 2634 H58 LEU A 90 -22.585 2.481 30.401 1.00 0.03 H HETATM 2635 H56 LEU A 90 -22.166 5.392 29.611 1.00 0.08 H HETATM 2636 H55 LEU A 90 -24.083 3.976 31.357 1.00 0.19 H HETATM 2637 CB LEU A 90 -26.661 5.939 31.952 1.00 -0.00 C HETATM 2638 CG1 LEU A 90 -26.966 4.564 31.352 1.00 -0.05 C HETATM 2639 CD1 LEU A 90 -28.438 4.277 31.165 1.00 -0.06 C HETATM 2640 H52 LEU A 90 -28.564 3.274 30.732 1.00 0.02 H HETATM 2641 H53 LEU A 90 -28.875 5.026 30.488 1.00 0.02 H HETATM 2642 H54 LEU A 90 -28.947 4.322 32.139 1.00 0.02 H HETATM 2643 H47 LEU A 90 -26.548 3.797 32.020 1.00 0.03 H HETATM 2644 H48 LEU A 90 -26.476 4.501 30.369 1.00 0.03 H HETATM 2645 CG2 LEU A 90 -27.072 7.043 30.997 1.00 -0.06 C HETATM 2646 H49 LEU A 90 -26.845 8.021 31.447 1.00 0.02 H HETATM 2647 H50 LEU A 90 -28.152 6.973 30.799 1.00 0.02 H HETATM 2648 H51 LEU A 90 -26.518 6.936 30.053 1.00 0.02 H HETATM 2649 H46 LEU A 90 -27.259 6.049 32.869 1.00 0.03 H HETATM 2650 H45 LEU A 90 -24.935 5.183 32.992 1.00 0.08 H HETATM 2651 H44 LEU A 90 -25.634 7.896 33.297 1.00 0.19 H HETATM 2652 CB LEU A 90 -22.457 8.571 35.582 1.00 0.04 C HETATM 2653 CG LEU A 90 -22.915 7.589 36.627 1.00 0.04 C HETATM 2654 OD1 LEU A 90 -24.007 6.987 36.510 1.00 -0.57 O HETATM 2655 OD2 LEU A 90 -22.165 7.439 37.624 1.00 -0.57 O HETATM 2656 H42 LEU A 90 -22.298 9.545 36.068 1.00 0.05 H HETATM 2657 H43 LEU A 90 -21.507 8.211 35.161 1.00 0.05 H HETATM 2658 H41 LEU A 90 -23.034 9.514 33.741 1.00 0.08 H HETATM 2659 H40 LEU A 90 -25.165 8.863 35.703 1.00 0.19 H HETATM 2660 CB LEU A 90 -27.766 10.049 34.178 1.00 0.09 C HETATM 2661 OG1 LEU A 90 -27.548 8.634 34.233 1.00 -0.39 O HETATM 2662 H36 LEU A 90 -27.561 8.348 35.139 1.00 0.21 H HETATM 2663 CG2 LEU A 90 -27.842 10.477 32.689 1.00 -0.03 C HETATM 2664 H37 LEU A 90 -28.657 9.930 32.191 1.00 0.03 H HETATM 2665 H38 LEU A 90 -26.888 10.246 32.192 1.00 0.03 H HETATM 2666 H39 LEU A 90 -28.035 11.558 32.628 1.00 0.03 H HETATM 2667 H35 LEU A 90 -28.728 10.286 34.656 1.00 0.06 H HETATM 2668 H34 LEU A 90 -26.689 10.430 36.014 1.00 0.08 H HETATM 2669 H33 LEU A 90 -26.593 12.696 34.096 1.00 0.19 H HETATM 2670 CB LEU A 90 -25.492 14.869 36.356 1.00 0.02 C HETATM 2671 CG LEU A 90 -25.146 16.319 36.175 1.00 -0.05 C HETATM 2672 CD1 LEU A 90 -24.526 16.763 35.002 1.00 -0.07 C HETATM 2673 CE1 LEU A 90 -24.193 18.099 34.824 1.00 -0.04 C HETATM 2674 CZ LEU A 90 -24.480 19.016 35.829 1.00 0.08 C HETATM 2675 CE2 LEU A 90 -25.083 18.601 37.005 1.00 -0.04 C HETATM 2676 CD2 LEU A 90 -25.420 17.258 37.172 1.00 -0.07 C HETATM 2677 H29 LEU A 90 -25.902 16.938 38.089 1.00 0.05 H HETATM 2678 H31 LEU A 90 -25.292 19.317 37.792 1.00 0.05 H HETATM 2679 OH LEU A 90 -24.146 20.338 35.632 1.00 -0.34 O HETATM 2680 H32 LEU A 90 -23.745 20.438 34.777 1.00 0.25 H HETATM 2681 H30 LEU A 90 -23.713 18.425 33.908 1.00 0.05 H HETATM 2682 H28 LEU A 90 -24.301 16.050 34.217 1.00 0.05 H HETATM 2683 H26 LEU A 90 -24.742 14.271 35.818 1.00 0.05 H HETATM 2684 H27 LEU A 90 -25.442 14.639 37.431 1.00 0.05 H HETATM 2685 H25 LEU A 90 -26.927 14.682 34.771 1.00 0.08 H HETATM 2686 H24 LEU A 90 -27.980 15.260 37.504 1.00 0.19 H HETATM 2687 CB LEU A 90 -31.210 15.837 36.787 1.00 0.00 C HETATM 2688 CG LEU A 90 -32.231 16.640 37.493 1.00 -0.04 C HETATM 2689 CD1 LEU A 90 -33.216 17.379 36.921 1.00 0.02 C HETATM 2690 NE1 LEU A 90 -33.933 18.029 37.887 1.00 -0.29 N HETATM 2691 CE2 LEU A 90 -33.403 17.735 39.118 1.00 0.06 C HETATM 2692 CD2 LEU A 90 -32.316 16.864 38.906 1.00 -0.02 C HETATM 2693 CE3 LEU A 90 -31.590 16.401 40.008 1.00 -0.07 C HETATM 2694 CZ3 LEU A 90 -31.975 16.818 41.292 1.00 -0.08 C HETATM 2695 CH2 LEU A 90 -33.074 17.684 41.471 1.00 -0.08 C HETATM 2696 CZ2 LEU A 90 -33.802 18.147 40.397 1.00 -0.04 C HETATM 2697 H21 LEU A 90 -34.652 18.805 40.536 1.00 0.05 H HETATM 2698 H23 LEU A 90 -33.351 17.991 42.473 1.00 0.05 H HETATM 2699 H22 LEU A 90 -31.421 16.470 42.156 1.00 0.05 H HETATM 2700 H20 LEU A 90 -30.747 15.733 39.873 1.00 0.05 H HETATM 2701 H19 LEU A 90 -34.743 18.642 37.717 1.00 0.22 H HETATM 2702 H18 LEU A 90 -33.407 17.444 35.851 1.00 0.08 H HETATM 2703 H16 LEU A 90 -31.001 14.926 37.367 1.00 0.04 H HETATM 2704 H17 LEU A 90 -31.592 15.559 35.794 1.00 0.04 H HETATM 2705 H15 LEU A 90 -29.492 16.815 37.624 1.00 0.08 H HETATM 2706 H14 LEU A 90 -30.679 17.973 35.135 1.00 0.19 H HETATM 2707 CB LEU A 90 -28.648 21.025 35.384 1.00 0.01 C HETATM 2708 CG LEU A 90 -28.063 20.722 34.007 1.00 -0.04 C HETATM 2709 CD1 LEU A 90 -27.888 19.227 33.848 1.00 -0.06 C HETATM 2710 H8 LEU A 90 -27.466 19.011 32.855 1.00 0.02 H HETATM 2711 H9 LEU A 90 -28.865 18.731 33.948 1.00 0.02 H HETATM 2712 H10 LEU A 90 -27.206 18.853 34.626 1.00 0.02 H HETATM 2713 CD2 LEU A 90 -28.886 21.293 32.853 1.00 -0.06 C HETATM 2714 H11 LEU A 90 -29.002 22.379 32.987 1.00 0.02 H HETATM 2715 H12 LEU A 90 -29.878 20.818 32.840 1.00 0.02 H HETATM 2716 H13 LEU A 90 -28.371 21.094 31.902 1.00 0.02 H HETATM 2717 H7 LEU A 90 -27.068 21.189 33.961 1.00 0.03 H HETATM 2718 H5 LEU A 90 -27.918 20.692 36.137 1.00 0.03 H HETATM 2719 H6 LEU A 90 -28.780 22.114 35.458 1.00 0.03 H HETATM 2720 H4 LEU A 90 -30.491 20.085 34.780 1.00 0.11 H HETATM 2721 H1 LEU A 90 -30.945 22.176 35.839 1.00 0.20 H HETATM 2722 H2 LEU A 90 -30.398 21.618 37.288 1.00 0.20 H HETATM 2723 H3 LEU A 90 -31.741 20.956 36.604 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1197 1198 1204 1205 1206 CONECT 1204 1197 CONECT 1205 1197 CONECT 1206 1197 CONECT 2482 2483 2721 2722 2723 CONECT 2483 2482 2484 2707 2720 CONECT 2484 2483 2485 2486 CONECT 2485 2484 CONECT 2486 2484 2487 2706 CONECT 2487 2486 2488 2687 2705 CONECT 2488 2487 2489 2490 CONECT 2489 2488 CONECT 2490 2488 2491 2686 CONECT 2491 2490 2492 2670 2685 CONECT 2492 2491 2493 2494 CONECT 2493 2492 CONECT 2494 2492 2495 2669 CONECT 2495 2494 2496 2660 2668 CONECT 2496 2495 2497 2498 CONECT 2497 2496 CONECT 2498 2496 2499 2659 CONECT 2499 2498 2500 2652 2658 CONECT 2500 2499 2501 2502 CONECT 2501 2500 CONECT 2502 2500 2503 2651 CONECT 2503 2502 2504 2637 2650 CONECT 2504 2503 2505 2506 CONECT 2505 2504 CONECT 2506 2504 2507 2636 CONECT 2507 2506 2508 2617 2635 CONECT 2508 2507 2509 2510 CONECT 2509 2508 CONECT 2510 2508 2511 2616 CONECT 2511 2510 2512 2604 2615 CONECT 2512 2511 2513 2514 CONECT 2513 2512 CONECT 2514 2512 2515 2603 CONECT 2515 2514 2516 2597 2602 CONECT 2516 2515 2517 2518 CONECT 2517 2516 CONECT 2518 2516 2519 2596 CONECT 2519 2518 2520 2577 2595 CONECT 2520 2519 2521 2522 CONECT 2521 2520 CONECT 2522 2520 2523 2576 CONECT 2523 2522 2524 2557 2575 CONECT 2524 2523 2525 2526 CONECT 2525 2524 CONECT 2526 2524 2527 2556 CONECT 2527 2526 2528 2545 2555 CONECT 2528 2527 2529 2530 CONECT 2529 2528 CONECT 2530 2528 2531 2537 CONECT 2531 2530 2532 2535 2544 CONECT 2532 2531 2533 2534 CONECT 2533 2532 CONECT 2534 2532 CONECT 2535 2531 2536 2542 2543 CONECT 2536 2535 2537 2540 2541 CONECT 2537 2530 2536 2538 2539 CONECT 2538 2537 CONECT 2539 2537 CONECT 2540 2536 CONECT 2541 2536 CONECT 2542 2535 CONECT 2543 2535 CONECT 2544 2531 CONECT 2545 2527 2546 2550 2554 CONECT 2546 2545 2547 2548 2549 CONECT 2547 2546 CONECT 2548 2546 CONECT 2549 2546 CONECT 2550 2545 2551 2552 2553 CONECT 2551 2550 CONECT 2552 2550 CONECT 2553 2550 CONECT 2554 2545 CONECT 2555 2527 CONECT 2556 2526 CONECT 2557 2523 2558 2573 2574 CONECT 2558 2557 2559 2571 2572 CONECT 2559 2558 2560 2569 2570 CONECT 2560 2559 2561 2568 CONECT 2561 2560 2562 2565 CONECT 2562 2561 2563 2564 CONECT 2563 2562 CONECT 2564 2562 CONECT 2565 2561 2566 2567 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2560 CONECT 2569 2559 CONECT 2570 2559 CONECT 2571 2558 CONECT 2572 2558 CONECT 2573 2557 CONECT 2574 2557 CONECT 2575 2523 CONECT 2576 2522 CONECT 2577 2519 2578 2593 2594 CONECT 2578 2577 2579 2582 CONECT 2579 2578 2580 2592 CONECT 2580 2579 2581 2591 CONECT 2581 2580 2582 2586 CONECT 2582 2578 2581 2583 CONECT 2583 2582 2584 2590 CONECT 2584 2583 2585 2589 CONECT 2585 2584 2586 2588 CONECT 2586 2581 2585 2587 CONECT 2587 2586 CONECT 2588 2585 CONECT 2589 2584 CONECT 2590 2583 CONECT 2591 2580 CONECT 2592 2579 CONECT 2593 2577 CONECT 2594 2577 CONECT 2595 2519 CONECT 2596 2518 CONECT 2597 2515 2598 2600 2601 CONECT 2598 2597 2599 CONECT 2599 2598 CONECT 2600 2597 CONECT 2601 2597 CONECT 2602 2515 CONECT 2603 2514 CONECT 2604 2511 2605 2613 2614 CONECT 2605 2604 2606 2611 2612 CONECT 2606 2605 2607 CONECT 2607 2606 2608 2609 2610 CONECT 2608 2607 CONECT 2609 2607 CONECT 2610 2607 CONECT 2611 2605 CONECT 2612 2605 CONECT 2613 2604 CONECT 2614 2604 CONECT 2615 2511 CONECT 2616 2510 CONECT 2617 2507 2618 2633 2634 CONECT 2618 2617 2619 2631 2632 CONECT 2619 2618 2620 2629 2630 CONECT 2620 2619 2621 2628 CONECT 2621 2620 2622 2625 CONECT 2622 2621 2623 2624 CONECT 2623 2622 CONECT 2624 2622 CONECT 2625 2621 2626 2627 CONECT 2626 2625 CONECT 2627 2625 CONECT 2628 2620 CONECT 2629 2619 CONECT 2630 2619 CONECT 2631 2618 CONECT 2632 2618 CONECT 2633 2617 CONECT 2634 2617 CONECT 2635 2507 CONECT 2636 2506 CONECT 2637 2503 2638 2645 2649 CONECT 2638 2637 2639 2643 2644 CONECT 2639 2638 2640 2641 2642 CONECT 2640 2639 CONECT 2641 2639 CONECT 2642 2639 CONECT 2643 2638 CONECT 2644 2638 CONECT 2645 2637 2646 2647 2648 CONECT 2646 2645 CONECT 2647 2645 CONECT 2648 2645 CONECT 2649 2637 CONECT 2650 2503 CONECT 2651 2502 CONECT 2652 2499 2653 2656 2657 CONECT 2653 2652 2654 2655 CONECT 2654 2653 CONECT 2655 2653 CONECT 2656 2652 CONECT 2657 2652 CONECT 2658 2499 CONECT 2659 2498 CONECT 2660 2495 2661 2663 2667 CONECT 2661 2660 2662 CONECT 2662 2661 CONECT 2663 2660 2664 2665 2666 CONECT 2664 2663 CONECT 2665 2663 CONECT 2666 2663 CONECT 2667 2660 CONECT 2668 2495 CONECT 2669 2494 CONECT 2670 2491 2671 2683 2684 CONECT 2671 2670 2672 2676 CONECT 2672 2671 2673 2682 CONECT 2673 2672 2674 2681 CONECT 2674 2673 2675 2679 CONECT 2675 2674 2676 2678 CONECT 2676 2671 2675 2677 CONECT 2677 2676 CONECT 2678 2675 CONECT 2679 2674 2680 CONECT 2680 2679 CONECT 2681 2673 CONECT 2682 2672 CONECT 2683 2670 CONECT 2684 2670 CONECT 2685 2491 CONECT 2686 2490 CONECT 2687 2487 2688 2703 2704 CONECT 2688 2687 2689 2692 CONECT 2689 2688 2690 2702 CONECT 2690 2689 2691 2701 CONECT 2691 2690 2692 2696 CONECT 2692 2688 2691 2693 CONECT 2693 2692 2694 2700 CONECT 2694 2693 2695 2699 CONECT 2695 2694 2696 2698 CONECT 2696 2691 2695 2697 CONECT 2697 2696 CONECT 2698 2695 CONECT 2699 2694 CONECT 2700 2693 CONECT 2701 2690 CONECT 2702 2689 CONECT 2703 2687 CONECT 2704 2687 CONECT 2705 2487 CONECT 2706 2486 CONECT 2707 2483 2708 2718 2719 CONECT 2708 2707 2709 2713 2717 CONECT 2709 2708 2710 2711 2712 CONECT 2710 2709 CONECT 2711 2709 CONECT 2712 2709 CONECT 2713 2708 2714 2715 2716 CONECT 2714 2713 CONECT 2715 2713 CONECT 2716 2713 CONECT 2717 2708 CONECT 2718 2707 CONECT 2719 2707 CONECT 2720 2483 CONECT 2721 2482 CONECT 2722 2482 CONECT 2723 2482 MASTER 0 0 0 0 0 0 0 0 2721 2 250 20 END
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5n8b
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5n8t
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5t6j
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PDBbind
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13-mer
5umz
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5vqi
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5wgd
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PDBbind
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5yyz
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PDBbind
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13-mer
6bil
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PDBbind
13-mer
6bin
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PDBbind
13-mer
6bir
RCSB PDB
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6biv
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PDBbind
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6bix
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PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
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PDBbind
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6cf6
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PDBbind
13-mer
6drt
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6e8k
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6e8m
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6o3y
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PDBbind
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6nkp
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PDBbind
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6hy7
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PDBbind
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Entry Information
PDB ID
5h7g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein (BCL6 BTB domain)
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=0.57nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. Biophys. Res. Commun. Vol. 482: pp. 310-316
Ligand Properties
Formula
C
8
1
H
1
2
2
N
2
1
O
1
9
S
Molecular Weight
1726.030
Exact Mass
1724.890
No. of atoms
244
No. of bonds
249
Polar Surface Area
692.24
LOGP Value
4.78 (
Computed with XLOGP3
)
0.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 6
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CCC[NH+]=C(N)N)Cc1c[nH]c2c1cccc2)CO)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)CC(=O)O)CCC[NH+]=C(N)N
InChI String
InChI=1S/C81H119N21O19S/c1-9-43(6)65(100-74(115)60(37-63(106)107)97-77(118)66(44(7)104)101-73(114)57(34-45-24-26-48(105)27-25-45)95-72(113)58(94-67(108)51(82)33-41(2)3)35-46-38-89-52-19-12-10-17-49(46)52)76(117)93-54(21-14-29-87-80(83)84)68(109)92-56(28-32-122-8)69(110)98-61(40-103)75(116)96-59(36-47-39-90-53-20-13-11-18-50(47)53)71(112)91-55(22-15-30-88-81(85)86)70(111)99-64(42(4)5)78(119)102-31-16-23-62(102)79(120)121/h10-13,17-20,24-27,38-39,41-44,51,54-62,64-66,89-90,103-105H,9,14-16,21-23,28-37,40,82H2,1-8H3,(H,91,112)(H,92,109)(H,93,117)(H,94,108)(H,95,113)(H,96,116)(H,97,118)(H,98,110)(H,99,111)(H,100,115)(H,101,114)(H,106,107)(H,120,121)(H4,83,84,87)(H4,85,86,88)/p+3/t43-,44+,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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