Browse entries in the PDBbind-CN Database
HEADER 4UAU_COMPLEX COMPND 4UAU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 226 MET ILE GLU ALA ILE LEU PHE ASP VAL ASN GLY THR LEU SEQRES 2 A 226 ALA GLU THR GLU GLU LEU HIS ARG ARG ALA PHE ASN GLU SEQRES 3 A 226 THR PHE ALA ALA LEU GLY VAL ASP TRP PHE TRP ASP ARG SEQRES 4 A 226 GLU GLU TYR ARG GLU LEU LEU THR THR THR GLY GLY LYS SEQRES 5 A 226 GLU ARG ILE ALA ARG PHE LEU ARG HIS GLN LYS GLY ASP SEQRES 6 A 226 PRO ALA PRO LEU PRO ILE ALA ASP ILE HIS ARG ALA LYS SEQRES 7 A 226 THR GLU ARG PHE VAL ALA LEU MET ALA GLU GLY GLU ILE SEQRES 8 A 226 ALA LEU ARG PRO GLY ILE ALA ASP LEU ILE ALA GLU ALA SEQRES 9 A 226 LYS ARG ALA GLY ILE ARG LEU ALA VAL ALA THR THR THR SEQRES 10 A 226 SER LEU PRO ASN VAL GLU ALA LEU CYS ARG ALA CYS PHE SEQRES 11 A 226 GLY HIS PRO ALA ARG GLU ILE PHE ASP VAL ILE ALA ALA SEQRES 12 A 226 GLY ASP MET VAL ALA GLU LYS LYS PRO SER PRO ASP ILE SEQRES 13 A 226 TYR ARG LEU ALA LEU ARG GLU LEU ASP VAL PRO PRO GLU SEQRES 14 A 226 ARG ALA VAL ALA LEU GLU ASP SER LEU ASN GLY LEU ARG SEQRES 15 A 226 ALA ALA LYS GLY ALA GLY LEU ARG CYS ILE VAL SER PRO SEQRES 16 A 226 GLY PHE TYR THR ARG HIS GLU GLU PHE ALA GLY ALA ASP SEQRES 17 A 226 ARG LEU LEU ASP SER PHE ALA GLU LEU GLY GLY LEU ALA SEQRES 18 A 226 GLY LEU ASP LEU THR HET MG A 1 1 HET XBP A 522 26 ATOM 1 N MET A 1 26.052 31.404 32.865 1.00 38.53 N ATOM 2 CA MET A 1 26.066 31.290 34.357 1.00 38.44 C ATOM 3 C MET A 1 24.631 31.498 34.878 1.00 36.98 C ATOM 4 O MET A 1 23.891 30.513 35.073 1.00 36.76 O ATOM 5 CB MET A 1 27.167 32.206 34.971 1.00 39.47 C ATOM 6 CG MET A 1 26.768 33.573 35.584 1.00 42.55 C ATOM 7 SD MET A 1 26.433 34.925 34.432 1.00 50.32 S ATOM 8 CE MET A 1 26.173 36.284 35.587 1.00 48.61 C ATOM 9 HN3 MET A 1 25.709 32.348 32.594 1.00 0.00 H ATOM 10 HN2 MET A 1 25.422 30.678 32.469 1.00 0.00 H ATOM 11 HN1 MET A 1 27.016 31.266 32.499 1.00 0.00 H ATOM 12 N ILE A 2 24.219 32.750 35.070 1.00 35.52 N ATOM 13 CA ILE A 2 22.785 33.039 35.151 1.00 33.18 C ATOM 14 C ILE A 2 22.282 34.008 34.065 1.00 30.75 C ATOM 15 O ILE A 2 22.717 35.162 33.954 1.00 29.70 O ATOM 16 CB ILE A 2 22.302 33.398 36.604 1.00 34.09 C ATOM 17 CG1 ILE A 2 22.595 34.843 36.973 1.00 36.13 C ATOM 18 CG2 ILE A 2 22.855 32.415 37.650 1.00 34.29 C ATOM 19 CD1 ILE A 2 21.336 35.639 37.152 1.00 39.76 C ATOM 20 H ILE A 2 24.913 33.519 35.162 1.00 0.00 H ATOM 21 N GLU A 3 21.345 33.508 33.270 1.00 27.67 N ATOM 22 CA GLU A 3 20.688 34.288 32.234 1.00 26.79 C ATOM 23 C GLU A 3 19.259 34.685 32.616 1.00 24.62 C ATOM 24 O GLU A 3 18.672 35.572 32.006 1.00 24.80 O ATOM 25 CB GLU A 3 20.679 33.518 30.923 1.00 26.71 C ATOM 26 CG GLU A 3 22.067 33.391 30.302 1.00 29.73 C ATOM 27 CD GLU A 3 22.066 32.518 29.050 1.00 34.09 C ATOM 28 OE1 GLU A 3 20.987 32.038 28.650 1.00 34.08 O ATOM 29 OE2 GLU A 3 23.149 32.314 28.463 1.00 36.43 O ATOM 30 H GLU A 3 21.068 32.513 33.393 1.00 0.00 H ATOM 31 N ALA A 4 18.714 34.021 33.637 1.00 22.70 N ATOM 32 CA ALA A 4 17.360 34.327 34.133 1.00 21.33 C ATOM 33 C ALA A 4 17.254 33.986 35.607 1.00 19.56 C ATOM 34 O ALA A 4 17.866 33.024 36.074 1.00 20.00 O ATOM 35 CB ALA A 4 16.276 33.566 33.345 1.00 21.32 C ATOM 36 H ALA A 4 19.261 33.265 34.097 1.00 0.00 H ATOM 37 N ILE A 5 16.473 34.802 36.319 1.00 18.48 N ATOM 38 CA ILE A 5 16.086 34.523 37.716 1.00 17.91 C ATOM 39 C ILE A 5 14.572 34.385 37.756 1.00 17.11 C ATOM 40 O ILE A 5 13.869 35.260 37.227 1.00 16.61 O ATOM 41 CB ILE A 5 16.529 35.649 38.687 1.00 18.00 C ATOM 42 CG1 ILE A 5 18.035 35.908 38.517 1.00 19.74 C ATOM 43 CG2 ILE A 5 16.235 35.239 40.146 1.00 18.78 C ATOM 44 CD1 ILE A 5 18.503 37.264 39.039 1.00 21.54 C ATOM 45 H ILE A 5 16.122 35.672 35.870 1.00 0.00 H ATOM 46 N LEU A 6 14.090 33.283 38.343 1.00 16.61 N ATOM 47 CA LEU A 6 12.648 33.032 38.489 1.00 16.84 C ATOM 48 C LEU A 6 12.245 33.187 39.962 1.00 16.69 C ATOM 49 O LEU A 6 12.804 32.542 40.843 1.00 17.14 O ATOM 50 CB LEU A 6 12.309 31.621 37.986 1.00 16.54 C ATOM 51 CG LEU A 6 12.541 31.398 36.479 1.00 17.91 C ATOM 52 CD1 LEU A 6 14.004 31.013 36.184 1.00 19.60 C ATOM 53 CD2 LEU A 6 11.602 30.317 35.903 1.00 20.04 C ATOM 54 H LEU A 6 14.760 32.577 38.710 1.00 0.00 H ATOM 55 N PHE A 7 11.322 34.108 40.220 1.00 15.63 N ATOM 56 CA PHE A 7 10.898 34.386 41.591 1.00 15.78 C ATOM 57 C PHE A 7 9.538 33.796 41.885 1.00 15.00 C ATOM 58 O PHE A 7 8.590 34.021 41.152 1.00 15.09 O ATOM 59 CB PHE A 7 10.772 35.890 41.828 1.00 16.63 C ATOM 60 CG PHE A 7 12.080 36.633 41.775 1.00 16.45 C ATOM 61 CD1 PHE A 7 12.629 37.023 40.563 1.00 18.47 C ATOM 62 CD2 PHE A 7 12.732 36.968 42.952 1.00 17.89 C ATOM 63 CE1 PHE A 7 13.850 37.735 40.531 1.00 19.56 C ATOM 64 CE2 PHE A 7 13.951 37.675 42.927 1.00 18.92 C ATOM 65 CZ PHE A 7 14.493 38.053 41.729 1.00 19.10 C ATOM 66 H PHE A 7 10.895 34.639 39.434 1.00 0.00 H ATOM 67 N ASP A 8 9.465 33.041 42.977 1.00 14.47 N ATOM 68 CA ASP A 8 8.189 32.848 43.654 1.00 13.99 C ATOM 69 C ASP A 8 7.645 34.210 44.117 1.00 13.46 C ATOM 70 O ASP A 8 8.391 35.204 44.199 1.00 15.61 O ATOM 71 CB ASP A 8 8.393 31.892 44.827 1.00 14.60 C ATOM 72 CG ASP A 8 7.130 31.660 45.587 1.00 14.54 C ATOM 73 OD1 ASP A 8 6.143 31.263 44.925 1.00 14.08 O ATOM 74 OD2 ASP A 8 7.122 31.910 46.795 1.00 15.19 O ATOM 75 H ASP A 8 10.323 32.586 43.350 1.00 0.00 H ATOM 76 N VAL A 9 6.350 34.266 44.450 1.00 13.42 N ATOM 77 CA VAL A 9 5.761 35.535 44.933 1.00 13.98 C ATOM 78 C VAL A 9 5.514 35.489 46.435 1.00 14.67 C ATOM 79 O VAL A 9 6.239 36.131 47.205 1.00 14.22 O ATOM 80 CB VAL A 9 4.467 35.913 44.171 1.00 13.54 C ATOM 81 CG1 VAL A 9 3.758 37.128 44.791 1.00 15.31 C ATOM 82 CG2 VAL A 9 4.806 36.224 42.730 1.00 15.53 C ATOM 83 H VAL A 9 5.756 33.416 44.369 1.00 0.00 H ATOM 84 N ASN A 10 4.542 34.683 46.887 1.00 14.15 N ATOM 85 CA ASN A 10 4.134 34.752 48.288 1.00 14.70 C ATOM 86 C ASN A 10 5.168 34.178 49.224 1.00 15.12 C ATOM 87 O ASN A 10 5.570 33.014 49.077 1.00 15.17 O ATOM 88 CB ASN A 10 2.755 34.114 48.472 1.00 14.49 C ATOM 89 CG ASN A 10 1.671 34.886 47.744 1.00 13.94 C ATOM 90 OD1 ASN A 10 1.509 36.095 47.962 1.00 13.94 O ATOM 91 ND2 ASN A 10 0.974 34.226 46.841 1.00 14.70 N ATOM 92 HD22 ASN A 10 1.145 33.211 46.692 1.00 0.00 H ATOM 93 HD21 ASN A 10 0.253 34.720 46.277 1.00 0.00 H ATOM 94 H ASN A 10 4.080 34.011 46.242 1.00 0.00 H ATOM 95 N GLY A 11 5.646 34.999 50.153 1.00 14.83 N ATOM 96 CA GLY A 11 6.699 34.565 51.050 1.00 14.87 C ATOM 97 C GLY A 11 8.102 34.779 50.515 1.00 14.98 C ATOM 98 O GLY A 11 9.069 34.604 51.260 1.00 15.01 O ATOM 99 H GLY A 11 5.261 35.962 50.237 1.00 0.00 H ATOM 100 N THR A 12 8.223 35.134 49.243 1.00 15.06 N ATOM 101 CA THR A 12 9.529 35.268 48.583 1.00 14.73 C ATOM 102 C THR A 12 9.795 36.732 48.224 1.00 15.14 C ATOM 103 O THR A 12 10.758 37.324 48.748 1.00 15.93 O ATOM 104 CB THR A 12 9.605 34.315 47.374 1.00 14.05 C ATOM 105 OG1 THR A 12 9.502 32.958 47.836 1.00 15.53 O ATOM 106 CG2 THR A 12 10.893 34.462 46.662 1.00 15.87 C ATOM 107 HG1 THR A 12 8.638 32.835 48.304 1.00 0.00 H ATOM 108 H THR A 12 7.362 35.325 48.692 1.00 0.00 H ATOM 109 N LEU A 13 8.963 37.316 47.362 1.00 14.96 N ATOM 110 CA LEU A 13 9.082 38.755 47.112 1.00 15.63 C ATOM 111 C LEU A 13 8.745 39.528 48.367 1.00 16.39 C ATOM 112 O LEU A 13 9.366 40.557 48.633 1.00 16.85 O ATOM 113 CB LEU A 13 8.177 39.195 45.972 1.00 15.33 C ATOM 114 CG LEU A 13 8.557 38.653 44.594 1.00 15.49 C ATOM 115 CD1 LEU A 13 7.542 39.090 43.546 1.00 16.86 C ATOM 116 CD2 LEU A 13 9.972 39.045 44.140 1.00 15.69 C ATOM 117 H LEU A 13 8.237 36.756 46.872 1.00 0.00 H ATOM 118 N ALA A 14 7.747 39.058 49.133 1.00 16.18 N ATOM 119 CA ALA A 14 7.217 39.810 50.288 1.00 16.67 C ATOM 120 C ALA A 14 6.520 38.843 51.209 1.00 16.66 C ATOM 121 O ALA A 14 6.061 37.775 50.754 1.00 16.35 O ATOM 122 CB ALA A 14 6.233 40.871 49.818 1.00 16.29 C ATOM 123 H ALA A 14 7.333 38.132 48.905 1.00 0.00 H ATOM 124 N GLU A 15 6.447 39.181 52.492 1.00 17.05 N ATOM 125 CA GLU A 15 5.698 38.380 53.459 1.00 17.75 C ATOM 126 C GLU A 15 4.227 38.787 53.377 1.00 17.88 C ATOM 127 O GLU A 15 3.804 39.805 53.951 1.00 18.86 O ATOM 128 CB GLU A 15 6.289 38.542 54.863 1.00 18.66 C ATOM 129 CG GLU A 15 5.661 37.679 55.936 1.00 20.68 C ATOM 130 CD GLU A 15 5.991 36.200 55.823 1.00 22.77 C ATOM 131 OE1 GLU A 15 5.045 35.407 55.723 1.00 19.96 O ATOM 132 OE2 GLU A 15 7.189 35.829 55.870 1.00 25.70 O ATOM 133 H GLU A 15 6.936 40.039 52.817 1.00 0.00 H ATOM 134 N THR A 16 3.458 37.989 52.631 1.00 17.08 N ATOM 135 CA THR A 16 2.095 38.312 52.236 1.00 16.29 C ATOM 136 C THR A 16 1.009 37.450 52.859 1.00 14.76 C ATOM 137 O THR A 16 -0.176 37.781 52.720 1.00 15.33 O ATOM 138 CB THR A 16 1.914 38.157 50.737 1.00 16.39 C ATOM 139 OG1 THR A 16 2.262 36.802 50.404 1.00 16.50 O ATOM 140 CG2 THR A 16 2.756 39.170 49.954 1.00 17.16 C ATOM 141 HG1 THR A 16 2.155 36.665 49.429 1.00 0.00 H ATOM 142 H THR A 16 3.857 37.083 52.314 1.00 0.00 H ATOM 143 N GLU A 17 1.369 36.321 53.475 1.00 14.79 N ATOM 144 CA GLU A 17 0.322 35.343 53.829 1.00 14.68 C ATOM 145 C GLU A 17 -0.644 35.796 54.906 1.00 14.69 C ATOM 146 O GLU A 17 -1.804 35.415 54.892 1.00 14.63 O ATOM 147 CB GLU A 17 0.899 33.953 54.130 1.00 14.20 C ATOM 148 CG GLU A 17 1.290 33.195 52.849 1.00 14.28 C ATOM 149 CD GLU A 17 0.115 32.882 51.909 1.00 12.72 C ATOM 150 OE1 GLU A 17 -1.072 33.070 52.288 1.00 15.05 O ATOM 151 OE2 GLU A 17 0.405 32.419 50.788 1.00 12.03 O ATOM 152 H GLU A 17 2.367 36.135 53.701 1.00 0.00 H ATOM 153 N GLU A 18 -0.181 36.623 55.843 1.00 15.09 N ATOM 154 CA GLU A 18 -1.128 37.184 56.802 1.00 16.04 C ATOM 155 C GLU A 18 -2.159 38.082 56.110 1.00 15.93 C ATOM 156 O GLU A 18 -3.330 38.114 56.525 1.00 16.77 O ATOM 157 CB GLU A 18 -0.402 37.959 57.887 1.00 16.20 C ATOM 158 CG GLU A 18 0.168 37.054 58.969 1.00 16.21 C ATOM 159 CD GLU A 18 -0.938 36.286 59.718 1.00 17.85 C ATOM 160 OE1 GLU A 18 -1.406 35.257 59.192 1.00 18.28 O ATOM 161 OE2 GLU A 18 -1.306 36.717 60.837 1.00 20.41 O ATOM 162 H GLU A 18 0.830 36.863 55.890 1.00 0.00 H ATOM 163 N LEU A 19 -1.754 38.802 55.061 1.00 15.71 N ATOM 164 CA LEU A 19 -2.735 39.571 54.296 1.00 16.46 C ATOM 165 C LEU A 19 -3.686 38.687 53.503 1.00 16.60 C ATOM 166 O LEU A 19 -4.881 38.988 53.393 1.00 17.03 O ATOM 167 CB LEU A 19 -2.065 40.615 53.385 1.00 17.36 C ATOM 168 CG LEU A 19 -2.961 41.751 52.916 1.00 19.57 C ATOM 169 CD1 LEU A 19 -3.351 42.641 54.118 1.00 23.68 C ATOM 170 CD2 LEU A 19 -2.224 42.610 51.852 1.00 23.18 C ATOM 171 H LEU A 19 -0.750 38.816 54.790 1.00 0.00 H ATOM 172 N HIS A 20 -3.165 37.598 52.934 1.00 15.55 N ATOM 173 CA HIS A 20 -4.043 36.601 52.327 1.00 15.35 C ATOM 174 C HIS A 20 -5.051 36.070 53.338 1.00 14.58 C ATOM 175 O HIS A 20 -6.242 35.971 53.031 1.00 15.26 O ATOM 176 CB HIS A 20 -3.273 35.434 51.673 1.00 14.43 C ATOM 177 CG HIS A 20 -2.586 35.796 50.394 1.00 14.21 C ATOM 178 ND1 HIS A 20 -3.274 36.017 49.225 1.00 14.21 N ATOM 179 CD2 HIS A 20 -1.273 35.926 50.094 1.00 14.81 C ATOM 180 CE1 HIS A 20 -2.420 36.294 48.257 1.00 14.65 C ATOM 181 NE2 HIS A 20 -1.195 36.252 48.760 1.00 14.62 N ATOM 182 H HIS A 20 -2.134 37.459 52.923 1.00 0.00 H ATOM 183 N ARG A 21 -4.585 35.719 54.531 1.00 14.69 N ATOM 184 CA ARG A 21 -5.456 35.136 55.534 1.00 14.95 C ATOM 185 C ARG A 21 -6.544 36.140 55.891 1.00 15.95 C ATOM 186 O ARG A 21 -7.715 35.773 55.973 1.00 15.28 O ATOM 187 CB ARG A 21 -4.642 34.717 56.766 1.00 14.81 C ATOM 188 CG ARG A 21 -5.453 33.930 57.807 1.00 13.75 C ATOM 189 CD ARG A 21 -4.603 33.419 58.936 1.00 13.50 C ATOM 190 NE ARG A 21 -4.056 34.488 59.778 1.00 15.31 N ATOM 191 CZ ARG A 21 -4.625 34.958 60.888 1.00 15.44 C ATOM 192 NH1 ARG A 21 -5.819 34.510 61.288 1.00 16.05 N ATOM 193 NH2 ARG A 21 -3.995 35.926 61.581 1.00 17.88 N ATOM 194 HE ARG A 21 -3.153 34.913 59.486 1.00 0.00 H ATOM 195 HH12 ARG A 21 -6.251 34.886 62.156 1.00 0.00 H ATOM 196 HH11 ARG A 21 -6.316 33.786 60.731 1.00 0.00 H ATOM 197 HH22 ARG A 21 -4.423 36.306 62.450 1.00 0.00 H ATOM 198 HH21 ARG A 21 -3.081 36.293 61.247 1.00 0.00 H ATOM 199 H ARG A 21 -3.579 35.865 54.750 1.00 0.00 H ATOM 200 N ARG A 22 -6.169 37.407 56.038 1.00 16.65 N ATOM 201 CA ARG A 22 -7.148 38.467 56.299 1.00 17.06 C ATOM 202 C ARG A 22 -8.166 38.561 55.171 1.00 16.80 C ATOM 203 O ARG A 22 -9.363 38.625 55.395 1.00 17.26 O ATOM 204 CB ARG A 22 -6.448 39.815 56.474 1.00 17.21 C ATOM 205 CG ARG A 22 -7.423 40.967 56.746 1.00 19.39 C ATOM 206 CD ARG A 22 -6.676 42.218 57.036 1.00 20.74 C ATOM 207 NE ARG A 22 -7.626 43.332 57.089 1.00 25.90 N ATOM 208 CZ ARG A 22 -7.288 44.618 57.170 1.00 26.75 C ATOM 209 NH1 ARG A 22 -6.009 44.986 57.220 1.00 29.36 N ATOM 210 NH2 ARG A 22 -8.248 45.540 57.198 1.00 30.05 N ATOM 211 HE ARG A 22 -8.640 43.102 57.061 1.00 0.00 H ATOM 212 HH12 ARG A 22 -5.760 45.994 57.283 1.00 0.00 H ATOM 213 HH11 ARG A 22 -5.259 44.266 57.196 1.00 0.00 H ATOM 214 HH22 ARG A 22 -7.999 46.548 57.261 1.00 0.00 H ATOM 215 HH21 ARG A 22 -9.247 45.252 57.157 1.00 0.00 H ATOM 216 H ARG A 22 -5.161 37.651 55.966 1.00 0.00 H ATOM 217 N ALA A 23 -7.690 38.545 53.940 1.00 16.35 N ATOM 218 CA ALA A 23 -8.603 38.636 52.809 1.00 16.31 C ATOM 219 C ALA A 23 -9.589 37.443 52.743 1.00 17.13 C ATOM 220 O ALA A 23 -10.782 37.626 52.421 1.00 16.96 O ATOM 221 CB ALA A 23 -7.797 38.804 51.497 1.00 17.13 C ATOM 222 H ALA A 23 -6.666 38.468 53.778 1.00 0.00 H ATOM 223 N PHE A 24 -9.126 36.231 53.068 1.00 16.51 N ATOM 224 CA PHE A 24 -10.007 35.054 53.157 1.00 16.94 C ATOM 225 C PHE A 24 -11.060 35.286 54.243 1.00 16.90 C ATOM 226 O PHE A 24 -12.268 35.167 53.992 1.00 17.99 O ATOM 227 CB PHE A 24 -9.231 33.761 53.480 1.00 16.93 C ATOM 228 CG PHE A 24 -8.536 33.124 52.278 1.00 15.11 C ATOM 229 CD1 PHE A 24 -9.275 32.501 51.275 1.00 15.86 C ATOM 230 CD2 PHE A 24 -7.130 33.109 52.190 1.00 14.51 C ATOM 231 CE1 PHE A 24 -8.639 31.898 50.186 1.00 17.17 C ATOM 232 CE2 PHE A 24 -6.502 32.495 51.104 1.00 16.11 C ATOM 233 CZ PHE A 24 -7.270 31.897 50.105 1.00 15.72 C ATOM 234 H PHE A 24 -8.111 36.116 53.264 1.00 0.00 H ATOM 235 N ASN A 25 -10.605 35.597 55.454 1.00 16.92 N ATOM 236 CA ASN A 25 -11.532 35.711 56.583 1.00 17.02 C ATOM 237 C ASN A 25 -12.531 36.828 56.387 1.00 18.15 C ATOM 238 O ASN A 25 -13.713 36.652 56.678 1.00 18.45 O ATOM 239 CB ASN A 25 -10.734 35.907 57.856 1.00 17.12 C ATOM 240 CG ASN A 25 -10.059 34.641 58.298 1.00 14.99 C ATOM 241 OD1 ASN A 25 -10.557 33.544 58.057 1.00 17.03 O ATOM 242 ND2 ASN A 25 -8.931 34.781 58.990 1.00 15.23 N ATOM 243 HD22 ASN A 25 -8.546 35.730 59.170 1.00 0.00 H ATOM 244 HD21 ASN A 25 -8.435 33.941 59.351 1.00 0.00 H ATOM 245 H ASN A 25 -9.588 35.760 55.600 1.00 0.00 H ATOM 246 N GLU A 26 -12.080 37.960 55.890 1.00 18.71 N ATOM 247 CA GLU A 26 -13.044 39.030 55.636 1.00 19.72 C ATOM 248 C GLU A 26 -14.048 38.696 54.545 1.00 20.41 C ATOM 249 O GLU A 26 -15.221 39.089 54.639 1.00 21.03 O ATOM 250 CB GLU A 26 -12.353 40.343 55.369 1.00 19.90 C ATOM 251 CG GLU A 26 -11.526 40.839 56.573 1.00 20.90 C ATOM 252 CD GLU A 26 -10.918 42.213 56.328 1.00 24.25 C ATOM 253 OE1 GLU A 26 -10.999 42.726 55.181 1.00 27.82 O ATOM 254 OE2 GLU A 26 -10.344 42.782 57.282 1.00 26.29 O ATOM 255 H GLU A 26 -11.069 38.090 55.684 1.00 0.00 H ATOM 256 N THR A 27 -13.615 37.991 53.503 1.00 20.27 N ATOM 257 CA THR A 27 -14.540 37.511 52.483 1.00 20.30 C ATOM 258 C THR A 27 -15.579 36.561 53.053 1.00 20.14 C ATOM 259 O THR A 27 -16.769 36.671 52.733 1.00 19.75 O ATOM 260 CB THR A 27 -13.774 36.843 51.321 1.00 21.23 C ATOM 261 OG1 THR A 27 -12.897 37.819 50.758 1.00 21.87 O ATOM 262 CG2 THR A 27 -14.733 36.324 50.250 1.00 22.50 C ATOM 263 HG1 THR A 27 -12.264 38.132 51.452 1.00 0.00 H ATOM 264 H THR A 27 -12.601 37.779 53.415 1.00 0.00 H ATOM 265 N PHE A 28 -15.165 35.628 53.910 1.00 19.15 N ATOM 266 CA PHE A 28 -16.089 34.684 54.514 1.00 19.39 C ATOM 267 C PHE A 28 -17.120 35.457 55.344 1.00 20.09 C ATOM 268 O PHE A 28 -18.322 35.173 55.260 1.00 20.41 O ATOM 269 CB PHE A 28 -15.361 33.659 55.397 1.00 18.94 C ATOM 270 CG PHE A 28 -14.285 32.848 54.676 1.00 18.45 C ATOM 271 CD1 PHE A 28 -14.295 32.645 53.285 1.00 18.37 C ATOM 272 CD2 PHE A 28 -13.267 32.259 55.425 1.00 18.77 C ATOM 273 CE1 PHE A 28 -13.291 31.872 52.674 1.00 20.31 C ATOM 274 CE2 PHE A 28 -12.271 31.498 54.822 1.00 18.75 C ATOM 275 CZ PHE A 28 -12.287 31.308 53.455 1.00 19.59 C ATOM 276 H PHE A 28 -14.155 35.575 54.152 1.00 0.00 H ATOM 277 N ALA A 29 -16.667 36.452 56.094 1.00 20.44 N ATOM 278 CA ALA A 29 -17.586 37.235 56.939 1.00 21.75 C ATOM 279 C ALA A 29 -18.608 37.950 56.077 1.00 22.31 C ATOM 280 O ALA A 29 -19.812 37.954 56.403 1.00 23.39 O ATOM 281 CB ALA A 29 -16.810 38.245 57.807 1.00 20.72 C ATOM 282 H ALA A 29 -15.653 36.682 56.086 1.00 0.00 H ATOM 283 N ALA A 30 -18.140 38.543 54.978 1.00 22.82 N ATOM 284 CA ALA A 30 -19.005 39.297 54.067 1.00 23.83 C ATOM 285 C ALA A 30 -20.050 38.420 53.381 1.00 24.99 C ATOM 286 O ALA A 30 -21.140 38.907 53.045 1.00 25.32 O ATOM 287 CB ALA A 30 -18.165 40.054 53.053 1.00 24.10 C ATOM 288 H ALA A 30 -17.126 38.468 54.760 1.00 0.00 H ATOM 289 N LEU A 31 -19.740 37.140 53.183 1.00 25.05 N ATOM 290 CA LEU A 31 -20.694 36.169 52.639 1.00 26.47 C ATOM 291 C LEU A 31 -21.698 35.671 53.699 1.00 26.36 C ATOM 292 O LEU A 31 -22.665 34.977 53.370 1.00 28.37 O ATOM 293 CB LEU A 31 -19.943 34.996 51.981 1.00 26.78 C ATOM 294 CG LEU A 31 -19.214 35.275 50.659 1.00 27.65 C ATOM 295 CD1 LEU A 31 -18.336 34.086 50.260 1.00 31.98 C ATOM 296 CD2 LEU A 31 -20.210 35.619 49.540 1.00 30.02 C ATOM 297 H LEU A 31 -18.782 36.816 53.424 1.00 0.00 H ATOM 298 N GLY A 32 -21.456 36.018 54.962 1.00 26.19 N ATOM 299 CA GLY A 32 -22.323 35.626 56.084 1.00 25.85 C ATOM 300 C GLY A 32 -22.137 34.197 56.568 1.00 25.91 C ATOM 301 O GLY A 32 -23.013 33.635 57.254 1.00 26.54 O ATOM 302 H GLY A 32 -20.614 36.594 55.165 1.00 0.00 H ATOM 303 N VAL A 33 -20.998 33.592 56.216 1.00 24.58 N ATOM 304 CA VAL A 33 -20.674 32.269 56.719 1.00 23.24 C ATOM 305 C VAL A 33 -19.810 32.431 57.963 1.00 21.79 C ATOM 306 O VAL A 33 -19.197 33.490 58.184 1.00 22.31 O ATOM 307 CB VAL A 33 -20.006 31.342 55.651 1.00 23.11 C ATOM 308 CG1 VAL A 33 -20.969 31.049 54.497 1.00 24.23 C ATOM 309 CG2 VAL A 33 -18.730 31.962 55.117 1.00 22.21 C ATOM 310 H VAL A 33 -20.337 34.074 55.575 1.00 0.00 H ATOM 311 N ASP A 34 -19.768 31.379 58.769 1.00 21.98 N ATOM 312 CA ASP A 34 -19.045 31.395 60.038 1.00 21.59 C ATOM 313 C ASP A 34 -17.577 30.946 59.943 1.00 21.05 C ATOM 314 O ASP A 34 -16.892 30.844 60.962 1.00 21.33 O ATOM 315 CB ASP A 34 -19.821 30.578 61.105 1.00 21.69 C ATOM 316 CG ASP A 34 -19.951 29.080 60.766 1.00 24.18 C ATOM 317 OD1 ASP A 34 -19.718 28.642 59.599 1.00 22.84 O ATOM 318 OD2 ASP A 34 -20.307 28.313 61.692 1.00 27.05 O ATOM 319 H ASP A 34 -20.268 30.511 58.488 1.00 0.00 H ATOM 320 N TRP A 35 -17.094 30.698 58.726 1.00 19.90 N ATOM 321 CA TRP A 35 -15.730 30.229 58.562 1.00 18.94 C ATOM 322 C TRP A 35 -14.724 31.274 58.990 1.00 18.29 C ATOM 323 O TRP A 35 -14.871 32.460 58.696 1.00 18.48 O ATOM 324 CB TRP A 35 -15.439 29.807 57.115 1.00 19.66 C ATOM 325 CG TRP A 35 -16.511 29.040 56.409 1.00 19.96 C ATOM 326 CD1 TRP A 35 -17.491 28.234 56.956 1.00 20.06 C ATOM 327 CD2 TRP A 35 -16.697 28.994 54.995 1.00 19.21 C ATOM 328 NE1 TRP A 35 -18.278 27.696 55.946 1.00 18.34 N ATOM 329 CE2 TRP A 35 -17.796 28.136 54.736 1.00 20.77 C ATOM 330 CE3 TRP A 35 -16.008 29.571 53.907 1.00 18.01 C ATOM 331 CZ2 TRP A 35 -18.258 27.888 53.444 1.00 20.16 C ATOM 332 CZ3 TRP A 35 -16.466 29.320 52.631 1.00 19.12 C ATOM 333 CH2 TRP A 35 -17.565 28.475 52.405 1.00 20.41 C ATOM 334 HE1 TRP A 35 -19.094 27.066 56.082 1.00 0.00 H ATOM 335 H TRP A 35 -17.697 30.841 57.891 1.00 0.00 H ATOM 336 N PHE A 36 -13.685 30.803 59.673 1.00 17.57 N ATOM 337 CA PHE A 36 -12.596 31.669 60.095 1.00 16.36 C ATOM 338 C PHE A 36 -11.349 30.831 60.312 1.00 16.45 C ATOM 339 O PHE A 36 -11.356 29.805 61.005 1.00 18.10 O ATOM 340 CB PHE A 36 -12.971 32.452 61.365 1.00 16.88 C ATOM 341 CG PHE A 36 -11.865 33.318 61.877 1.00 17.06 C ATOM 342 CD1 PHE A 36 -11.699 34.611 61.410 1.00 17.95 C ATOM 343 CD2 PHE A 36 -10.950 32.808 62.797 1.00 20.23 C ATOM 344 CE1 PHE A 36 -10.648 35.409 61.851 1.00 19.66 C ATOM 345 CE2 PHE A 36 -9.909 33.588 63.256 1.00 19.69 C ATOM 346 CZ PHE A 36 -9.745 34.898 62.778 1.00 19.56 C ATOM 347 H PHE A 36 -13.650 29.791 59.911 1.00 0.00 H ATOM 348 N TRP A 37 -10.278 31.274 59.659 1.00 16.03 N ATOM 349 CA TRP A 37 -9.012 30.548 59.671 1.00 16.51 C ATOM 350 C TRP A 37 -8.015 31.274 60.551 1.00 15.79 C ATOM 351 O TRP A 37 -7.550 32.362 60.197 1.00 15.88 O ATOM 352 CB TRP A 37 -8.456 30.500 58.250 1.00 15.71 C ATOM 353 CG TRP A 37 -9.257 29.657 57.286 1.00 16.99 C ATOM 354 CD1 TRP A 37 -10.258 28.773 57.598 1.00 16.50 C ATOM 355 CD2 TRP A 37 -9.093 29.588 55.856 1.00 15.26 C ATOM 356 NE1 TRP A 37 -10.743 28.182 56.451 1.00 15.74 N ATOM 357 CE2 TRP A 37 -10.031 28.647 55.373 1.00 15.79 C ATOM 358 CE3 TRP A 37 -8.246 30.238 54.930 1.00 15.18 C ATOM 359 CZ2 TRP A 37 -10.151 28.328 54.018 1.00 15.08 C ATOM 360 CZ3 TRP A 37 -8.362 29.919 53.590 1.00 16.15 C ATOM 361 CH2 TRP A 37 -9.312 28.973 53.137 1.00 15.75 C ATOM 362 HE1 TRP A 37 -11.522 27.495 56.409 1.00 0.00 H ATOM 363 H TRP A 37 -10.345 32.164 59.124 1.00 0.00 H ATOM 364 N ASP A 38 -7.703 30.706 61.708 1.00 15.37 N ATOM 365 CA ASP A 38 -6.653 31.299 62.542 1.00 16.46 C ATOM 366 C ASP A 38 -5.273 30.866 62.016 1.00 16.44 C ATOM 367 O ASP A 38 -5.195 30.085 61.077 1.00 16.27 O ATOM 368 CB ASP A 38 -6.885 31.033 64.055 1.00 17.11 C ATOM 369 CG ASP A 38 -6.892 29.566 64.440 1.00 18.90 C ATOM 370 OD1 ASP A 38 -6.276 28.712 63.758 1.00 18.82 O ATOM 371 OD2 ASP A 38 -7.553 29.267 65.469 1.00 21.98 O ATOM 372 H ASP A 38 -8.199 29.847 62.021 1.00 0.00 H ATOM 373 N ARG A 39 -4.193 31.341 62.633 1.00 16.17 N ATOM 374 CA ARG A 39 -2.853 31.023 62.122 1.00 16.28 C ATOM 375 C ARG A 39 -2.542 29.540 62.167 1.00 16.61 C ATOM 376 O ARG A 39 -1.887 29.021 61.252 1.00 16.42 O ATOM 377 CB ARG A 39 -1.797 31.770 62.929 1.00 16.15 C ATOM 378 CG ARG A 39 -1.662 33.175 62.598 1.00 17.98 C ATOM 379 CD ARG A 39 -0.550 33.772 63.437 1.00 22.38 C ATOM 380 NE ARG A 39 -0.263 35.127 62.990 1.00 21.82 N ATOM 381 CZ ARG A 39 0.764 35.855 63.419 1.00 22.89 C ATOM 382 NH1 ARG A 39 1.618 35.362 64.318 1.00 24.40 N ATOM 383 NH2 ARG A 39 0.931 37.071 62.940 1.00 22.54 N ATOM 384 HE ARG A 39 -0.903 35.554 62.290 1.00 0.00 H ATOM 385 HH12 ARG A 39 2.418 35.940 64.647 1.00 0.00 H ATOM 386 HH11 ARG A 39 1.484 34.400 64.690 1.00 0.00 H ATOM 387 HH22 ARG A 39 1.729 37.653 63.265 1.00 0.00 H ATOM 388 HH21 ARG A 39 0.265 37.449 62.237 1.00 0.00 H ATOM 389 H ARG A 39 -4.298 31.938 63.478 1.00 0.00 H ATOM 390 N GLU A 40 -2.966 28.850 63.221 1.00 17.09 N ATOM 391 CA GLU A 40 -2.716 27.418 63.329 1.00 18.80 C ATOM 392 C GLU A 40 -3.369 26.653 62.176 1.00 18.61 C ATOM 393 O GLU A 40 -2.734 25.753 61.574 1.00 19.33 O ATOM 394 CB GLU A 40 -3.213 26.885 64.682 1.00 20.05 C ATOM 395 CG GLU A 40 -3.106 25.379 64.847 1.00 25.05 C ATOM 396 CD GLU A 40 -3.506 24.883 66.235 1.00 31.70 C ATOM 397 OE1 GLU A 40 -3.861 23.690 66.349 1.00 36.70 O ATOM 398 OE2 GLU A 40 -3.455 25.664 67.205 1.00 35.05 O ATOM 399 H GLU A 40 -3.483 29.339 63.979 1.00 0.00 H ATOM 400 N GLU A 41 -4.629 26.975 61.876 1.00 17.83 N ATOM 401 CA GLU A 41 -5.325 26.304 60.789 1.00 18.11 C ATOM 402 C GLU A 41 -4.710 26.700 59.450 1.00 16.57 C ATOM 403 O GLU A 41 -4.488 25.852 58.574 1.00 16.83 O ATOM 404 CB GLU A 41 -6.828 26.604 60.809 1.00 18.71 C ATOM 405 CG GLU A 41 -7.567 26.000 59.612 1.00 21.55 C ATOM 406 CD GLU A 41 -9.004 25.676 59.892 1.00 27.24 C ATOM 407 OE1 GLU A 41 -9.603 26.347 60.761 1.00 30.85 O ATOM 408 OE2 GLU A 41 -9.545 24.764 59.211 1.00 29.31 O ATOM 409 H GLU A 41 -5.117 27.712 62.424 1.00 0.00 H ATOM 410 N TYR A 42 -4.447 27.985 59.289 1.00 15.01 N ATOM 411 CA TYR A 42 -3.884 28.445 58.031 1.00 14.27 C ATOM 412 C TYR A 42 -2.524 27.800 57.708 1.00 15.17 C ATOM 413 O TYR A 42 -2.260 27.471 56.554 1.00 14.91 O ATOM 414 CB TYR A 42 -3.807 29.976 58.015 1.00 14.23 C ATOM 415 CG TYR A 42 -3.747 30.542 56.634 1.00 13.44 C ATOM 416 CD1 TYR A 42 -4.759 30.279 55.695 1.00 14.07 C ATOM 417 CD2 TYR A 42 -2.683 31.375 56.255 1.00 14.40 C ATOM 418 CE1 TYR A 42 -4.689 30.840 54.382 1.00 14.24 C ATOM 419 CE2 TYR A 42 -2.617 31.934 54.986 1.00 12.27 C ATOM 420 CZ TYR A 42 -3.601 31.644 54.047 1.00 13.37 C ATOM 421 OH TYR A 42 -3.527 32.203 52.794 1.00 13.41 O ATOM 422 HH TYR A 42 -2.683 31.923 52.358 1.00 0.00 H ATOM 423 H TYR A 42 -4.641 28.661 60.055 1.00 0.00 H ATOM 424 N ARG A 43 -1.682 27.615 58.725 1.00 15.55 N ATOM 425 CA ARG A 43 -0.391 26.954 58.497 1.00 16.80 C ATOM 426 C ARG A 43 -0.587 25.590 57.848 1.00 16.81 C ATOM 427 O ARG A 43 0.202 25.191 56.973 1.00 17.02 O ATOM 428 CB ARG A 43 0.358 26.799 59.807 1.00 18.39 C ATOM 429 CG ARG A 43 1.755 26.181 59.604 1.00 19.76 C ATOM 430 CD ARG A 43 2.567 26.153 60.888 1.00 27.64 C ATOM 431 NE ARG A 43 3.323 27.387 61.057 1.00 33.15 N ATOM 432 CZ ARG A 43 2.985 28.409 61.837 1.00 35.90 C ATOM 433 NH1 ARG A 43 1.865 28.392 62.569 1.00 36.83 N ATOM 434 NH2 ARG A 43 3.781 29.470 61.871 1.00 34.42 N ATOM 435 HE ARG A 43 4.208 27.476 60.518 1.00 0.00 H ATOM 436 HH12 ARG A 43 1.625 29.205 63.171 1.00 0.00 H ATOM 437 HH11 ARG A 43 1.235 27.565 62.536 1.00 0.00 H ATOM 438 HH22 ARG A 43 3.539 30.283 62.473 1.00 0.00 H ATOM 439 HH21 ARG A 43 4.647 29.489 61.295 1.00 0.00 H ATOM 440 H ARG A 43 -1.940 27.939 59.679 1.00 0.00 H ATOM 441 N GLU A 44 -1.618 24.868 58.275 1.00 17.08 N ATOM 442 CA GLU A 44 -1.874 23.542 57.703 1.00 17.84 C ATOM 443 C GLU A 44 -2.412 23.680 56.286 1.00 17.13 C ATOM 444 O GLU A 44 -1.928 23.022 55.362 1.00 16.85 O ATOM 445 CB GLU A 44 -2.859 22.742 58.556 1.00 19.47 C ATOM 446 CG GLU A 44 -2.348 22.407 59.966 1.00 25.23 C ATOM 447 CD GLU A 44 -3.401 21.686 60.788 1.00 33.16 C ATOM 448 OE1 GLU A 44 -4.243 20.985 60.171 1.00 35.37 O ATOM 449 OE2 GLU A 44 -3.387 21.809 62.049 1.00 37.49 O ATOM 450 H GLU A 44 -2.244 25.244 59.016 1.00 0.00 H ATOM 451 N LEU A 45 -3.409 24.550 56.100 1.00 15.79 N ATOM 452 CA LEU A 45 -4.021 24.738 54.794 1.00 14.94 C ATOM 453 C LEU A 45 -3.042 25.238 53.737 1.00 15.10 C ATOM 454 O LEU A 45 -3.267 25.025 52.538 1.00 15.14 O ATOM 455 CB LEU A 45 -5.218 25.694 54.903 1.00 16.03 C ATOM 456 CG LEU A 45 -6.444 25.172 55.660 1.00 16.21 C ATOM 457 CD1 LEU A 45 -7.495 26.301 55.757 1.00 17.35 C ATOM 458 CD2 LEU A 45 -7.053 23.917 54.976 1.00 18.24 C ATOM 459 H LEU A 45 -3.755 25.106 56.908 1.00 0.00 H ATOM 460 N LEU A 46 -1.992 25.947 54.176 1.00 13.85 N ATOM 461 CA LEU A 46 -0.994 26.466 53.238 1.00 14.49 C ATOM 462 C LEU A 46 -0.194 25.391 52.506 1.00 14.71 C ATOM 463 O LEU A 46 0.440 25.688 51.488 1.00 15.59 O ATOM 464 CB LEU A 46 -0.036 27.427 53.947 1.00 14.78 C ATOM 465 CG LEU A 46 -0.592 28.841 54.092 1.00 14.48 C ATOM 466 CD1 LEU A 46 0.298 29.630 55.072 1.00 16.87 C ATOM 467 CD2 LEU A 46 -0.664 29.559 52.745 1.00 14.75 C ATOM 468 H LEU A 46 -1.885 26.130 55.194 1.00 0.00 H ATOM 469 N THR A 47 -0.244 24.150 52.990 1.00 14.65 N ATOM 470 CA THR A 47 0.412 23.054 52.251 1.00 15.53 C ATOM 471 C THR A 47 -0.337 22.686 50.964 1.00 15.47 C ATOM 472 O THR A 47 0.230 22.000 50.116 1.00 15.78 O ATOM 473 CB THR A 47 0.647 21.802 53.100 1.00 16.21 C ATOM 474 OG1 THR A 47 -0.586 21.103 53.281 1.00 17.60 O ATOM 475 CG2 THR A 47 1.287 22.144 54.442 1.00 16.64 C ATOM 476 HG1 THR A 47 -0.428 20.295 53.830 1.00 0.00 H ATOM 477 H THR A 47 -0.742 23.956 53.882 1.00 0.00 H ATOM 478 N THR A 48 -1.565 23.178 50.787 1.00 14.73 N ATOM 479 CA THR A 48 -2.283 23.078 49.515 1.00 14.02 C ATOM 480 C THR A 48 -2.176 24.418 48.838 1.00 14.31 C ATOM 481 O THR A 48 -2.667 25.397 49.397 1.00 14.81 O ATOM 482 CB THR A 48 -3.772 22.770 49.769 1.00 14.41 C ATOM 483 OG1 THR A 48 -3.863 21.454 50.328 1.00 14.99 O ATOM 484 CG2 THR A 48 -4.584 22.850 48.485 1.00 15.10 C ATOM 485 HG1 THR A 48 -3.482 20.799 49.691 1.00 0.00 H ATOM 486 H THR A 48 -2.032 23.652 51.586 1.00 0.00 H ATOM 487 N THR A 49 -1.522 24.484 47.666 1.00 13.91 N ATOM 488 CA THR A 49 -1.372 25.773 46.996 1.00 13.49 C ATOM 489 C THR A 49 -2.599 26.086 46.123 1.00 14.37 C ATOM 490 O THR A 49 -3.301 25.185 45.614 1.00 15.37 O ATOM 491 CB THR A 49 -0.098 25.846 46.117 1.00 13.13 C ATOM 492 OG1 THR A 49 -0.225 24.970 44.989 1.00 15.16 O ATOM 493 CG2 THR A 49 1.125 25.442 46.927 1.00 14.34 C ATOM 494 HG1 THR A 49 -0.348 24.040 45.307 1.00 0.00 H ATOM 495 H THR A 49 -1.125 23.623 47.239 1.00 0.00 H ATOM 496 N GLY A 50 -2.831 27.391 45.937 1.00 13.68 N ATOM 497 CA GLY A 50 -4.004 27.902 45.210 1.00 13.50 C ATOM 498 C GLY A 50 -5.170 28.098 46.155 1.00 13.53 C ATOM 499 O GLY A 50 -5.580 27.199 46.883 1.00 14.59 O ATOM 500 H GLY A 50 -2.151 28.076 46.324 1.00 0.00 H ATOM 501 N GLY A 51 -5.750 29.281 46.124 1.00 14.53 N ATOM 502 CA GLY A 51 -6.833 29.578 47.052 1.00 15.02 C ATOM 503 C GLY A 51 -8.098 28.787 46.815 1.00 15.58 C ATOM 504 O GLY A 51 -8.812 28.438 47.775 1.00 15.56 O ATOM 505 H GLY A 51 -5.436 29.999 45.440 1.00 0.00 H ATOM 506 N LYS A 52 -8.418 28.497 45.548 1.00 15.61 N ATOM 507 CA LYS A 52 -9.612 27.668 45.272 1.00 15.78 C ATOM 508 C LYS A 52 -9.427 26.262 45.806 1.00 16.06 C ATOM 509 O LYS A 52 -10.339 25.692 46.405 1.00 16.18 O ATOM 510 CB LYS A 52 -9.914 27.606 43.775 1.00 16.16 C ATOM 511 CG LYS A 52 -10.292 28.947 43.189 1.00 16.98 C ATOM 512 CD LYS A 52 -10.834 28.842 41.737 1.00 18.86 C ATOM 513 CE LYS A 52 -9.734 28.486 40.734 1.00 17.94 C ATOM 514 NZ LYS A 52 -8.641 29.509 40.727 1.00 20.01 N ATOM 515 HZ1 LYS A 52 -9.036 30.435 40.466 1.00 0.00 H ATOM 516 HZ2 LYS A 52 -8.216 29.567 41.674 1.00 0.00 H ATOM 517 HZ3 LYS A 52 -7.915 29.234 40.036 1.00 0.00 H ATOM 518 H LYS A 52 -7.833 28.851 44.765 1.00 0.00 H ATOM 519 N GLU A 53 -8.241 25.714 45.579 1.00 15.68 N ATOM 520 CA GLU A 53 -7.863 24.393 46.069 1.00 15.30 C ATOM 521 C GLU A 53 -7.872 24.353 47.599 1.00 15.75 C ATOM 522 O GLU A 53 -8.260 23.352 48.211 1.00 15.96 O ATOM 523 CB GLU A 53 -6.468 24.018 45.519 1.00 15.38 C ATOM 524 CG GLU A 53 -6.412 23.843 43.972 1.00 17.46 C ATOM 525 CD GLU A 53 -6.242 25.138 43.168 1.00 18.08 C ATOM 526 OE1 GLU A 53 -6.261 26.254 43.716 1.00 15.69 O ATOM 527 OE2 GLU A 53 -6.110 25.047 41.917 1.00 18.32 O ATOM 528 H GLU A 53 -7.546 26.253 45.024 1.00 0.00 H ATOM 529 N ARG A 54 -7.429 25.443 48.231 1.00 15.25 N ATOM 530 CA ARG A 54 -7.379 25.495 49.688 1.00 14.82 C ATOM 531 C ARG A 54 -8.785 25.543 50.268 1.00 15.22 C ATOM 532 O ARG A 54 -9.075 24.831 51.237 1.00 16.03 O ATOM 533 CB ARG A 54 -6.615 26.743 50.120 1.00 15.19 C ATOM 534 CG ARG A 54 -6.309 26.784 51.618 1.00 15.72 C ATOM 535 CD ARG A 54 -5.314 27.924 51.999 1.00 14.84 C ATOM 536 NE ARG A 54 -4.090 27.727 51.242 1.00 13.59 N ATOM 537 CZ ARG A 54 -3.431 28.647 50.564 1.00 14.66 C ATOM 538 NH1 ARG A 54 -3.713 29.942 50.677 1.00 14.09 N ATOM 539 NH2 ARG A 54 -2.434 28.234 49.782 1.00 14.78 N ATOM 540 HE ARG A 54 -3.694 26.765 51.234 1.00 0.00 H ATOM 541 HH12 ARG A 54 -3.174 30.641 50.128 1.00 0.00 H ATOM 542 HH11 ARG A 54 -4.473 30.255 51.315 1.00 0.00 H ATOM 543 HH22 ARG A 54 -1.887 28.924 49.229 1.00 0.00 H ATOM 544 HH21 ARG A 54 -2.203 27.222 49.725 1.00 0.00 H ATOM 545 H ARG A 54 -7.116 26.266 47.677 1.00 0.00 H ATOM 546 N ILE A 55 -9.648 26.356 49.660 1.00 15.76 N ATOM 547 CA ILE A 55 -11.080 26.429 50.067 1.00 16.56 C ATOM 548 C ILE A 55 -11.721 25.045 49.912 1.00 17.19 C ATOM 549 O ILE A 55 -12.384 24.573 50.832 1.00 16.73 O ATOM 550 CB ILE A 55 -11.847 27.512 49.317 1.00 16.22 C ATOM 551 CG1 ILE A 55 -11.352 28.916 49.705 1.00 16.83 C ATOM 552 CG2 ILE A 55 -13.383 27.405 49.584 1.00 17.26 C ATOM 553 CD1 ILE A 55 -11.815 30.020 48.779 1.00 19.01 C ATOM 554 H ILE A 55 -9.313 26.956 48.880 1.00 0.00 H ATOM 555 N ALA A 56 -11.481 24.384 48.779 1.00 17.82 N ATOM 556 CA ALA A 56 -12.010 23.033 48.540 1.00 18.41 C ATOM 557 C ALA A 56 -11.575 22.042 49.631 1.00 18.77 C ATOM 558 O ALA A 56 -12.386 21.277 50.174 1.00 19.63 O ATOM 559 CB ALA A 56 -11.596 22.537 47.140 1.00 19.16 C ATOM 560 H ALA A 56 -10.903 24.837 48.043 1.00 0.00 H ATOM 561 N ARG A 57 -10.299 22.067 50.002 1.00 18.19 N ATOM 562 CA ARG A 57 -9.799 21.195 51.055 1.00 18.29 C ATOM 563 C ARG A 57 -10.510 21.485 52.380 1.00 18.62 C ATOM 564 O ARG A 57 -10.972 20.557 53.052 1.00 19.88 O ATOM 565 CB ARG A 57 -8.286 21.373 51.210 1.00 18.07 C ATOM 566 CG ARG A 57 -7.706 20.711 52.440 1.00 17.09 C ATOM 567 CD ARG A 57 -6.193 20.870 52.460 1.00 16.26 C ATOM 568 NE ARG A 57 -5.641 20.513 53.766 1.00 17.10 N ATOM 569 CZ ARG A 57 -4.364 20.684 54.115 1.00 17.14 C ATOM 570 NH1 ARG A 57 -3.494 21.184 53.233 1.00 17.34 N ATOM 571 NH2 ARG A 57 -3.946 20.390 55.331 1.00 18.30 N ATOM 572 HE ARG A 57 -6.286 20.099 54.469 1.00 0.00 H ATOM 573 HH12 ARG A 57 -2.499 21.318 53.503 1.00 0.00 H ATOM 574 HH11 ARG A 57 -3.812 21.439 52.276 1.00 0.00 H ATOM 575 HH22 ARG A 57 -2.947 20.530 55.586 1.00 0.00 H ATOM 576 HH21 ARG A 57 -4.615 20.019 56.035 1.00 0.00 H ATOM 577 H ARG A 57 -9.644 22.723 49.530 1.00 0.00 H ATOM 578 N PHE A 58 -10.578 22.764 52.740 1.00 18.20 N ATOM 579 CA PHE A 58 -11.261 23.194 53.974 1.00 19.03 C ATOM 580 C PHE A 58 -12.710 22.680 53.992 1.00 19.52 C ATOM 581 O PHE A 58 -13.174 22.147 55.009 1.00 20.39 O ATOM 582 CB PHE A 58 -11.219 24.716 54.072 1.00 18.55 C ATOM 583 CG PHE A 58 -12.121 25.301 55.129 1.00 17.63 C ATOM 584 CD1 PHE A 58 -11.833 25.136 56.487 1.00 18.48 C ATOM 585 CD2 PHE A 58 -13.226 26.062 54.755 1.00 18.66 C ATOM 586 CE1 PHE A 58 -12.667 25.707 57.461 1.00 18.51 C ATOM 587 CE2 PHE A 58 -14.062 26.642 55.734 1.00 17.25 C ATOM 588 CZ PHE A 58 -13.775 26.454 57.063 1.00 18.89 C ATOM 589 H PHE A 58 -10.136 23.483 52.132 1.00 0.00 H ATOM 590 N LEU A 59 -13.396 22.805 52.863 1.00 20.37 N ATOM 591 CA LEU A 59 -14.811 22.409 52.805 1.00 21.12 C ATOM 592 C LEU A 59 -15.049 20.902 52.884 1.00 22.40 C ATOM 593 O LEU A 59 -16.168 20.461 53.223 1.00 23.00 O ATOM 594 CB LEU A 59 -15.489 23.019 51.577 1.00 20.72 C ATOM 595 CG LEU A 59 -15.609 24.544 51.548 1.00 20.73 C ATOM 596 CD1 LEU A 59 -16.220 24.999 50.220 1.00 22.01 C ATOM 597 CD2 LEU A 59 -16.447 25.043 52.723 1.00 22.47 C ATOM 598 H LEU A 59 -12.930 23.185 52.014 1.00 0.00 H ATOM 599 N ARG A 60 -14.024 20.106 52.587 1.00 22.59 N ATOM 600 CA ARG A 60 -14.126 18.644 52.719 1.00 24.20 C ATOM 601 C ARG A 60 -14.251 18.195 54.174 1.00 25.13 C ATOM 602 O ARG A 60 -14.737 17.081 54.445 1.00 26.02 O ATOM 603 CB ARG A 60 -12.938 17.945 52.049 1.00 24.55 C ATOM 604 CG ARG A 60 -12.969 18.088 50.538 1.00 27.88 C ATOM 605 CD ARG A 60 -12.125 17.032 49.830 1.00 30.84 C ATOM 606 NE ARG A 60 -10.685 17.152 50.081 1.00 32.93 N ATOM 607 CZ ARG A 60 -9.844 17.934 49.393 1.00 33.66 C ATOM 608 NH1 ARG A 60 -10.276 18.704 48.399 1.00 32.17 N ATOM 609 NH2 ARG A 60 -8.557 17.954 49.715 1.00 33.90 N ATOM 610 HE ARG A 60 -10.285 16.584 50.855 1.00 0.00 H ATOM 611 HH12 ARG A 60 -9.606 19.304 47.877 1.00 0.00 H ATOM 612 HH11 ARG A 60 -11.284 18.706 48.143 1.00 0.00 H ATOM 613 HH22 ARG A 60 -7.898 18.559 49.185 1.00 0.00 H ATOM 614 HH21 ARG A 60 -8.207 17.365 50.497 1.00 0.00 H ATOM 615 H ARG A 60 -13.133 20.526 52.255 1.00 0.00 H ATOM 616 N HIS A 61 -13.813 19.048 55.108 1.00 25.01 N ATOM 617 CA HIS A 61 -13.714 18.651 56.515 1.00 25.74 C ATOM 618 C HIS A 61 -14.538 19.489 57.478 1.00 25.26 C ATOM 619 O HIS A 61 -14.938 18.993 58.544 1.00 26.17 O ATOM 620 CB HIS A 61 -12.260 18.620 56.974 1.00 26.32 C ATOM 621 CG HIS A 61 -11.384 17.775 56.109 1.00 28.62 C ATOM 622 ND1 HIS A 61 -11.462 16.399 56.101 1.00 30.56 N ATOM 623 CD2 HIS A 61 -10.441 18.107 55.196 1.00 31.26 C ATOM 624 CE1 HIS A 61 -10.586 15.920 55.234 1.00 32.90 C ATOM 625 NE2 HIS A 61 -9.954 16.936 54.673 1.00 30.73 N ATOM 626 H HIS A 61 -13.538 20.011 54.830 1.00 0.00 H ATOM 627 N GLN A 62 -14.824 20.733 57.097 1.00 23.93 N ATOM 628 CA GLN A 62 -15.337 21.700 58.059 1.00 23.19 C ATOM 629 C GLN A 62 -16.798 21.431 58.385 1.00 23.92 C ATOM 630 O GLN A 62 -17.564 20.972 57.531 1.00 24.18 O ATOM 631 CB GLN A 62 -15.139 23.130 57.557 1.00 22.16 C ATOM 632 CG GLN A 62 -15.978 23.506 56.336 1.00 21.89 C ATOM 633 CD GLN A 62 -17.278 24.216 56.714 1.00 22.12 C ATOM 634 OE1 GLN A 62 -17.336 24.921 57.720 1.00 21.06 O ATOM 635 NE2 GLN A 62 -18.302 24.072 55.876 1.00 20.76 N ATOM 636 HE22 GLN A 62 -18.206 23.465 55.037 1.00 0.00 H ATOM 637 HE21 GLN A 62 -19.198 24.567 56.060 1.00 0.00 H ATOM 638 H GLN A 62 -14.680 21.016 56.107 1.00 0.00 H ATOM 639 N LYS A 63 -17.164 21.746 59.624 1.00 24.83 N ATOM 640 CA LYS A 63 -18.515 21.457 60.116 1.00 25.47 C ATOM 641 C LYS A 63 -19.362 22.711 60.365 1.00 24.47 C ATOM 642 O LYS A 63 -20.384 22.643 61.082 1.00 24.90 O ATOM 643 CB LYS A 63 -18.440 20.595 61.381 1.00 26.50 C ATOM 644 CG LYS A 63 -17.660 19.274 61.214 1.00 29.76 C ATOM 645 CD LYS A 63 -18.435 18.279 60.329 1.00 33.82 C ATOM 646 CE LYS A 63 -17.860 16.860 60.360 1.00 37.87 C ATOM 647 NZ LYS A 63 -16.504 16.749 59.739 1.00 40.58 N ATOM 648 HZ1 LYS A 63 -16.555 17.042 58.742 1.00 0.00 H ATOM 649 HZ2 LYS A 63 -15.839 17.365 60.249 1.00 0.00 H ATOM 650 HZ3 LYS A 63 -16.178 15.763 59.795 1.00 0.00 H ATOM 651 H LYS A 63 -16.479 22.206 60.257 1.00 0.00 H ATOM 652 N GLY A 64 -18.963 23.842 59.784 1.00 23.28 N ATOM 653 CA GLY A 64 -19.749 25.075 59.820 1.00 23.02 C ATOM 654 C GLY A 64 -20.713 25.185 58.651 1.00 22.20 C ATOM 655 O GLY A 64 -21.170 24.166 58.119 1.00 23.18 O ATOM 656 H GLY A 64 -18.052 23.848 59.283 1.00 0.00 H ATOM 657 N ASP A 65 -21.023 26.421 58.260 1.00 22.53 N ATOM 658 CA ASP A 65 -22.005 26.685 57.213 1.00 22.59 C ATOM 659 C ASP A 65 -21.621 26.014 55.886 1.00 22.93 C ATOM 660 O ASP A 65 -20.435 25.934 55.537 1.00 21.87 O ATOM 661 CB ASP A 65 -22.165 28.191 56.978 1.00 22.38 C ATOM 662 CG ASP A 65 -22.711 28.939 58.184 1.00 23.90 C ATOM 663 OD1 ASP A 65 -23.450 28.334 59.000 1.00 24.93 O ATOM 664 OD2 ASP A 65 -22.432 30.157 58.286 1.00 23.10 O ATOM 665 H ASP A 65 -20.548 27.226 58.717 1.00 0.00 H ATOM 666 N PRO A 66 -22.622 25.567 55.116 1.00 23.75 N ATOM 667 CA PRO A 66 -22.290 25.053 53.794 1.00 24.33 C ATOM 668 C PRO A 66 -21.845 26.198 52.875 1.00 24.16 C ATOM 669 O PRO A 66 -22.180 27.360 53.103 1.00 23.67 O ATOM 670 CB PRO A 66 -23.616 24.443 53.321 1.00 24.63 C ATOM 671 CG PRO A 66 -24.671 25.218 54.077 1.00 25.70 C ATOM 672 CD PRO A 66 -24.067 25.458 55.419 1.00 24.07 C ATOM 673 N ALA A 67 -21.078 25.883 51.829 1.00 24.35 N ATOM 674 CA ALA A 67 -20.684 26.935 50.904 1.00 24.88 C ATOM 675 C ALA A 67 -21.944 27.540 50.247 1.00 25.70 C ATOM 676 O ALA A 67 -22.798 26.775 49.772 1.00 26.96 O ATOM 677 CB ALA A 67 -19.752 26.377 49.856 1.00 24.18 C ATOM 678 H ALA A 67 -20.767 24.902 51.678 1.00 0.00 H ATOM 679 N PRO A 68 -22.075 28.887 50.246 1.00 26.34 N ATOM 680 CA PRO A 68 -23.258 29.515 49.617 1.00 27.31 C ATOM 681 C PRO A 68 -23.111 29.753 48.120 1.00 27.96 C ATOM 682 O PRO A 68 -24.087 30.099 47.446 1.00 28.25 O ATOM 683 CB PRO A 68 -23.347 30.863 50.327 1.00 27.46 C ATOM 684 CG PRO A 68 -21.932 31.192 50.681 1.00 28.01 C ATOM 685 CD PRO A 68 -21.268 29.880 50.981 1.00 26.49 C ATOM 686 N LEU A 69 -21.897 29.582 47.608 1.00 27.13 N ATOM 687 CA LEU A 69 -21.587 29.882 46.218 1.00 27.48 C ATOM 688 C LEU A 69 -20.545 28.894 45.747 1.00 26.72 C ATOM 689 O LEU A 69 -19.894 28.243 46.574 1.00 25.31 O ATOM 690 CB LEU A 69 -20.979 31.281 46.098 1.00 27.82 C ATOM 691 CG LEU A 69 -21.780 32.559 46.289 1.00 31.11 C ATOM 692 CD1 LEU A 69 -20.814 33.734 46.312 1.00 31.84 C ATOM 693 CD2 LEU A 69 -22.843 32.730 45.206 1.00 34.30 C ATOM 694 H LEU A 69 -21.140 29.220 48.223 1.00 0.00 H ATOM 695 N PRO A 70 -20.357 28.802 44.422 1.00 25.05 N ATOM 696 CA PRO A 70 -19.231 28.049 43.873 1.00 24.63 C ATOM 697 C PRO A 70 -17.927 28.614 44.441 1.00 23.27 C ATOM 698 O PRO A 70 -17.825 29.811 44.704 1.00 22.54 O ATOM 699 CB PRO A 70 -19.325 28.319 42.363 1.00 24.77 C ATOM 700 CG PRO A 70 -20.783 28.700 42.132 1.00 25.54 C ATOM 701 CD PRO A 70 -21.215 29.390 43.367 1.00 25.86 C ATOM 702 N ILE A 71 -16.956 27.730 44.628 1.00 23.17 N ATOM 703 CA ILE A 71 -15.660 28.134 45.167 1.00 22.67 C ATOM 704 C ILE A 71 -14.996 29.228 44.333 1.00 22.33 C ATOM 705 O ILE A 71 -14.454 30.191 44.878 1.00 22.01 O ATOM 706 CB ILE A 71 -14.752 26.927 45.325 1.00 22.23 C ATOM 707 CG1 ILE A 71 -15.280 26.030 46.454 1.00 23.07 C ATOM 708 CG2 ILE A 71 -13.315 27.391 45.609 1.00 21.10 C ATOM 709 CD1 ILE A 71 -14.575 24.704 46.560 1.00 26.57 C ATOM 710 H ILE A 71 -17.120 26.732 44.387 1.00 0.00 H ATOM 711 N ALA A 72 -15.068 29.110 43.003 1.00 21.89 N ATOM 712 CA ALA A 72 -14.487 30.123 42.127 1.00 22.20 C ATOM 713 C ALA A 72 -15.018 31.521 42.437 1.00 21.51 C ATOM 714 O ALA A 72 -14.294 32.503 42.377 1.00 22.04 O ATOM 715 CB ALA A 72 -14.721 29.775 40.659 1.00 22.43 C ATOM 716 H ALA A 72 -15.545 28.285 42.587 1.00 0.00 H ATOM 717 N ASP A 73 -16.299 31.606 42.800 1.00 22.02 N ATOM 718 CA ASP A 73 -16.909 32.884 43.083 1.00 21.84 C ATOM 719 C ASP A 73 -16.443 33.452 44.447 1.00 20.82 C ATOM 720 O ASP A 73 -16.182 34.644 44.575 1.00 21.16 O ATOM 721 CB ASP A 73 -18.441 32.742 43.065 1.00 23.28 C ATOM 722 CG ASP A 73 -19.007 32.489 41.670 1.00 27.31 C ATOM 723 OD1 ASP A 73 -18.271 32.550 40.669 1.00 32.89 O ATOM 724 OD2 ASP A 73 -20.227 32.251 41.569 1.00 31.91 O ATOM 725 H ASP A 73 -16.867 30.739 42.880 1.00 0.00 H ATOM 726 N ILE A 74 -16.372 32.580 45.450 1.00 20.54 N ATOM 727 CA ILE A 74 -15.802 32.934 46.758 1.00 20.42 C ATOM 728 C ILE A 74 -14.358 33.449 46.578 1.00 19.77 C ATOM 729 O ILE A 74 -13.968 34.496 47.113 1.00 19.42 O ATOM 730 CB ILE A 74 -15.837 31.733 47.741 1.00 19.53 C ATOM 731 CG1 ILE A 74 -17.293 31.266 47.985 1.00 19.83 C ATOM 732 CG2 ILE A 74 -15.190 32.128 49.073 1.00 19.24 C ATOM 733 CD1 ILE A 74 -17.421 29.962 48.731 1.00 20.93 C ATOM 734 H ILE A 74 -16.732 31.615 45.303 1.00 0.00 H ATOM 735 N HIS A 75 -13.581 32.707 45.789 1.00 19.97 N ATOM 736 CA HIS A 75 -12.187 33.054 45.598 1.00 19.73 C ATOM 737 C HIS A 75 -11.994 34.328 44.795 1.00 19.71 C ATOM 738 O HIS A 75 -11.090 35.114 45.054 1.00 19.87 O ATOM 739 CB HIS A 75 -11.409 31.928 44.950 1.00 19.50 C ATOM 740 CG HIS A 75 -9.935 32.159 45.001 1.00 19.20 C ATOM 741 ND1 HIS A 75 -9.166 32.345 43.873 1.00 18.92 N ATOM 742 CD2 HIS A 75 -9.103 32.324 46.056 1.00 18.73 C ATOM 743 CE1 HIS A 75 -7.916 32.570 44.232 1.00 18.93 C ATOM 744 NE2 HIS A 75 -7.853 32.573 45.550 1.00 17.69 N ATOM 745 H HIS A 75 -13.977 31.875 45.308 1.00 0.00 H ATOM 746 N ARG A 76 -12.857 34.551 43.806 1.00 20.38 N ATOM 747 CA ARG A 76 -12.817 35.813 43.080 1.00 21.65 C ATOM 748 C ARG A 76 -13.050 37.003 44.023 1.00 20.88 C ATOM 749 O ARG A 76 -12.379 38.006 43.926 1.00 21.42 O ATOM 750 CB ARG A 76 -13.846 35.810 41.943 1.00 22.89 C ATOM 751 CG ARG A 76 -13.737 37.022 41.012 1.00 27.40 C ATOM 752 CD ARG A 76 -14.799 37.037 39.896 1.00 34.01 C ATOM 753 NE ARG A 76 -15.067 35.697 39.371 1.00 39.47 N ATOM 754 CZ ARG A 76 -16.170 34.993 39.636 1.00 42.73 C ATOM 755 NH1 ARG A 76 -17.126 35.503 40.411 1.00 44.86 N ATOM 756 NH2 ARG A 76 -16.321 33.776 39.126 1.00 43.45 N ATOM 757 HE ARG A 76 -14.352 35.265 38.751 1.00 0.00 H ATOM 758 HH12 ARG A 76 -17.982 34.949 40.613 1.00 0.00 H ATOM 759 HH11 ARG A 76 -17.016 36.455 40.814 1.00 0.00 H ATOM 760 HH22 ARG A 76 -17.181 33.228 39.333 1.00 0.00 H ATOM 761 HH21 ARG A 76 -15.580 33.371 38.520 1.00 0.00 H ATOM 762 H ARG A 76 -13.558 33.826 43.552 1.00 0.00 H ATOM 763 N ALA A 77 -14.014 36.892 44.942 1.00 20.73 N ATOM 764 CA ALA A 77 -14.229 37.963 45.914 1.00 20.89 C ATOM 765 C ALA A 77 -13.018 38.166 46.844 1.00 20.18 C ATOM 766 O ALA A 77 -12.668 39.295 47.186 1.00 21.67 O ATOM 767 CB ALA A 77 -15.515 37.710 46.729 1.00 20.88 C ATOM 768 H ALA A 77 -14.613 36.042 44.966 1.00 0.00 H ATOM 769 N LYS A 78 -12.405 37.052 47.246 1.00 19.21 N ATOM 770 CA LYS A 78 -11.214 37.104 48.093 1.00 18.46 C ATOM 771 C LYS A 78 -10.056 37.793 47.351 1.00 18.94 C ATOM 772 O LYS A 78 -9.308 38.610 47.932 1.00 18.31 O ATOM 773 CB LYS A 78 -10.835 35.702 48.558 1.00 18.12 C ATOM 774 CG LYS A 78 -9.490 35.648 49.325 1.00 16.20 C ATOM 775 CD LYS A 78 -8.299 35.357 48.395 1.00 17.03 C ATOM 776 CE LYS A 78 -7.007 35.580 49.128 1.00 14.56 C ATOM 777 NZ LYS A 78 -5.869 35.266 48.214 1.00 15.83 N ATOM 778 HZ1 LYS A 78 -5.934 34.273 47.910 1.00 0.00 H ATOM 779 HZ2 LYS A 78 -5.913 35.888 47.382 1.00 0.00 H ATOM 780 HZ3 LYS A 78 -4.971 35.418 48.716 1.00 0.00 H ATOM 781 H LYS A 78 -12.781 36.128 46.951 1.00 0.00 H ATOM 782 N THR A 79 -9.909 37.484 46.060 1.00 19.12 N ATOM 783 CA THR A 79 -8.896 38.164 45.247 1.00 20.24 C ATOM 784 C THR A 79 -9.128 39.674 45.179 1.00 20.61 C ATOM 785 O THR A 79 -8.200 40.456 45.392 1.00 21.43 O ATOM 786 CB THR A 79 -8.815 37.552 43.838 1.00 19.98 C ATOM 787 OG1 THR A 79 -8.487 36.169 43.972 1.00 20.61 O ATOM 788 CG2 THR A 79 -7.787 38.264 42.982 1.00 21.08 C ATOM 789 HG1 THR A 79 -7.615 36.081 44.433 1.00 0.00 H ATOM 790 H THR A 79 -10.516 36.758 45.629 1.00 0.00 H ATOM 791 N GLU A 80 -10.372 40.077 44.906 1.00 21.83 N ATOM 792 CA GLU A 80 -10.694 41.516 44.883 1.00 23.25 C ATOM 793 C GLU A 80 -10.363 42.173 46.228 1.00 22.77 C ATOM 794 O GLU A 80 -9.778 43.247 46.279 1.00 22.86 O ATOM 795 CB GLU A 80 -12.158 41.751 44.473 1.00 24.87 C ATOM 796 CG GLU A 80 -12.440 41.300 43.020 1.00 29.23 C ATOM 797 CD GLU A 80 -13.927 41.155 42.662 1.00 35.37 C ATOM 798 OE1 GLU A 80 -14.788 41.591 43.456 1.00 36.93 O ATOM 799 OE2 GLU A 80 -14.232 40.595 41.574 1.00 37.20 O ATOM 800 H GLU A 80 -11.114 39.375 44.710 1.00 0.00 H ATOM 801 N ARG A 81 -10.683 41.486 47.324 1.00 22.18 N ATOM 802 CA ARG A 81 -10.347 42.011 48.640 1.00 22.49 C ATOM 803 C ARG A 81 -8.825 42.115 48.864 1.00 21.83 C ATOM 804 O ARG A 81 -8.329 43.099 49.401 1.00 22.05 O ATOM 805 CB ARG A 81 -10.984 41.170 49.733 1.00 22.64 C ATOM 806 CG ARG A 81 -10.912 41.807 51.097 1.00 26.57 C ATOM 807 CD ARG A 81 -11.783 41.046 52.075 1.00 31.39 C ATOM 808 NE ARG A 81 -13.224 41.180 51.807 1.00 35.05 N ATOM 809 CZ ARG A 81 -14.012 42.121 52.337 1.00 36.04 C ATOM 810 NH1 ARG A 81 -13.521 43.034 53.172 1.00 36.30 N ATOM 811 NH2 ARG A 81 -15.301 42.150 52.031 1.00 35.82 N ATOM 812 HE ARG A 81 -13.660 40.494 51.159 1.00 0.00 H ATOM 813 HH12 ARG A 81 -14.147 43.760 53.576 1.00 0.00 H ATOM 814 HH11 ARG A 81 -12.511 43.022 53.421 1.00 0.00 H ATOM 815 HH22 ARG A 81 -15.917 42.881 52.442 1.00 0.00 H ATOM 816 HH21 ARG A 81 -15.697 41.442 51.380 1.00 0.00 H ATOM 817 H ARG A 81 -11.174 40.573 47.239 1.00 0.00 H ATOM 818 N PHE A 82 -8.082 41.096 48.435 1.00 21.38 N ATOM 819 CA PHE A 82 -6.634 41.135 48.577 1.00 20.82 C ATOM 820 C PHE A 82 -6.012 42.303 47.800 1.00 21.20 C ATOM 821 O PHE A 82 -5.165 43.000 48.322 1.00 21.58 O ATOM 822 CB PHE A 82 -5.996 39.806 48.133 1.00 20.01 C ATOM 823 CG PHE A 82 -4.507 39.785 48.308 1.00 16.88 C ATOM 824 CD1 PHE A 82 -3.953 39.423 49.535 1.00 16.98 C ATOM 825 CD2 PHE A 82 -3.652 40.163 47.262 1.00 17.89 C ATOM 826 CE1 PHE A 82 -2.582 39.413 49.718 1.00 15.83 C ATOM 827 CE2 PHE A 82 -2.272 40.183 47.449 1.00 18.52 C ATOM 828 CZ PHE A 82 -1.731 39.772 48.669 1.00 17.14 C ATOM 829 H PHE A 82 -8.538 40.270 47.997 1.00 0.00 H ATOM 830 N VAL A 83 -6.444 42.492 46.553 1.00 21.80 N ATOM 831 CA VAL A 83 -5.964 43.607 45.722 1.00 22.73 C ATOM 832 C VAL A 83 -6.238 44.930 46.456 1.00 23.35 C ATOM 833 O VAL A 83 -5.373 45.804 46.522 1.00 23.18 O ATOM 834 CB VAL A 83 -6.647 43.581 44.339 1.00 22.72 C ATOM 835 CG1 VAL A 83 -6.363 44.865 43.555 1.00 23.81 C ATOM 836 CG2 VAL A 83 -6.191 42.347 43.533 1.00 23.14 C ATOM 837 H VAL A 83 -7.142 41.831 46.156 1.00 0.00 H ATOM 838 N ALA A 84 -7.436 45.037 47.037 1.00 23.80 N ATOM 839 CA ALA A 84 -7.810 46.234 47.800 1.00 24.79 C ATOM 840 C ALA A 84 -6.955 46.429 49.044 1.00 25.20 C ATOM 841 O ALA A 84 -6.522 47.541 49.336 1.00 25.52 O ATOM 842 CB ALA A 84 -9.282 46.208 48.155 1.00 24.90 C ATOM 843 H ALA A 84 -8.117 44.257 46.947 1.00 0.00 H ATOM 844 N LEU A 85 -6.697 45.345 49.772 1.00 25.24 N ATOM 845 CA LEU A 85 -5.867 45.406 50.965 1.00 25.13 C ATOM 846 C LEU A 85 -4.412 45.717 50.638 1.00 25.76 C ATOM 847 O LEU A 85 -3.735 46.389 51.405 1.00 25.69 O ATOM 848 CB LEU A 85 -5.955 44.080 51.754 1.00 24.86 C ATOM 849 CG LEU A 85 -7.307 43.762 52.410 1.00 25.81 C ATOM 850 CD1 LEU A 85 -7.334 42.311 52.890 1.00 25.21 C ATOM 851 CD2 LEU A 85 -7.614 44.721 53.573 1.00 26.38 C ATOM 852 H LEU A 85 -7.099 44.431 49.480 1.00 0.00 H ATOM 853 N MET A 86 -3.931 45.218 49.502 1.00 26.61 N ATOM 854 CA MET A 86 -2.559 45.479 49.095 1.00 28.06 C ATOM 855 C MET A 86 -2.345 46.977 48.786 1.00 29.85 C ATOM 856 O MET A 86 -1.295 47.539 49.114 1.00 29.70 O ATOM 857 CB MET A 86 -2.191 44.586 47.902 1.00 27.91 C ATOM 858 CG MET A 86 -0.795 44.798 47.343 1.00 28.24 C ATOM 859 SD MET A 86 0.589 44.401 48.434 1.00 27.48 S ATOM 860 CE MET A 86 0.402 42.634 48.601 1.00 26.90 C ATOM 861 H MET A 86 -4.544 44.634 48.898 1.00 0.00 H ATOM 862 N ALA A 87 -3.355 47.602 48.180 1.00 31.35 N ATOM 863 CA ALA A 87 -3.325 49.029 47.837 1.00 33.94 C ATOM 864 C ALA A 87 -3.135 49.945 49.045 1.00 35.66 C ATOM 865 O ALA A 87 -2.529 51.016 48.927 1.00 36.37 O ATOM 866 CB ALA A 87 -4.581 49.418 47.082 1.00 33.86 C ATOM 867 H ALA A 87 -4.204 47.052 47.939 1.00 0.00 H ATOM 868 N GLU A 88 -3.665 49.539 50.198 1.00 37.11 N ATOM 869 CA GLU A 88 -3.488 50.304 51.434 1.00 38.81 C ATOM 870 C GLU A 88 -2.014 50.670 51.695 1.00 39.41 C ATOM 871 O GLU A 88 -1.716 51.779 52.155 1.00 40.18 O ATOM 872 CB GLU A 88 -4.133 49.590 52.622 1.00 39.36 C ATOM 873 CG GLU A 88 -5.674 49.607 52.548 1.00 41.65 C ATOM 874 CD GLU A 88 -6.372 48.860 53.687 1.00 45.81 C ATOM 875 OE1 GLU A 88 -5.779 48.701 54.785 1.00 47.78 O ATOM 876 OE2 GLU A 88 -7.535 48.437 53.481 1.00 46.85 O ATOM 877 H GLU A 88 -4.217 48.658 50.221 1.00 0.00 H ATOM 878 N GLY A 89 -1.099 49.752 51.379 1.00 39.51 N ATOM 879 CA GLY A 89 0.334 50.073 51.325 1.00 38.99 C ATOM 880 C GLY A 89 1.193 49.728 52.531 1.00 38.31 C ATOM 881 O GLY A 89 2.240 50.353 52.747 1.00 39.20 O ATOM 882 H GLY A 89 -1.408 48.782 51.165 1.00 0.00 H ATOM 883 N GLU A 90 0.784 48.725 53.305 1.00 37.32 N ATOM 884 CA GLU A 90 1.590 48.270 54.442 1.00 35.26 C ATOM 885 C GLU A 90 2.722 47.256 54.107 1.00 34.45 C ATOM 886 O GLU A 90 3.700 47.135 54.860 1.00 34.18 O ATOM 887 CB GLU A 90 0.671 47.727 55.536 1.00 36.41 C ATOM 888 H GLU A 90 -0.122 48.257 53.100 1.00 0.00 H ATOM 889 N ILE A 91 2.596 46.543 52.986 1.00 31.95 N ATOM 890 CA ILE A 91 3.550 45.468 52.627 1.00 29.95 C ATOM 891 C ILE A 91 4.878 45.988 52.040 1.00 28.69 C ATOM 892 O ILE A 91 4.872 46.830 51.146 1.00 28.85 O ATOM 893 CB ILE A 91 2.899 44.447 51.629 1.00 29.96 C ATOM 894 CG1 ILE A 91 1.584 43.877 52.195 1.00 29.99 C ATOM 895 CG2 ILE A 91 3.877 43.320 51.269 1.00 29.56 C ATOM 896 CD1 ILE A 91 1.755 42.878 53.338 1.00 29.98 C ATOM 897 H ILE A 91 1.804 46.748 52.345 1.00 0.00 H ATOM 898 N ALA A 92 5.990 45.462 52.559 1.00 27.66 N ATOM 899 CA ALA A 92 7.357 45.730 52.092 1.00 26.49 C ATOM 900 C ALA A 92 7.941 44.512 51.373 1.00 24.98 C ATOM 901 O ALA A 92 7.571 43.377 51.679 1.00 25.10 O ATOM 902 CB ALA A 92 8.245 46.061 53.283 1.00 27.06 C ATOM 903 H ALA A 92 5.879 44.808 53.360 1.00 0.00 H ATOM 904 N LEU A 93 8.877 44.741 50.457 1.00 23.46 N ATOM 905 CA LEU A 93 9.654 43.639 49.873 1.00 22.13 C ATOM 906 C LEU A 93 10.582 43.029 50.919 1.00 21.83 C ATOM 907 O LEU A 93 11.100 43.746 51.791 1.00 22.65 O ATOM 908 CB LEU A 93 10.497 44.116 48.691 1.00 22.19 C ATOM 909 CG LEU A 93 9.743 44.584 47.456 1.00 22.27 C ATOM 910 CD1 LEU A 93 10.689 45.317 46.515 1.00 21.99 C ATOM 911 CD2 LEU A 93 9.120 43.353 46.747 1.00 22.92 C ATOM 912 H LEU A 93 9.062 45.717 50.149 1.00 0.00 H ATOM 913 N ARG A 94 10.816 41.720 50.836 1.00 20.58 N ATOM 914 CA ARG A 94 11.743 41.045 51.747 1.00 19.57 C ATOM 915 C ARG A 94 13.167 41.584 51.535 1.00 19.62 C ATOM 916 O ARG A 94 13.493 42.039 50.430 1.00 19.36 O ATOM 917 CB ARG A 94 11.700 39.520 51.541 1.00 18.92 C ATOM 918 CG ARG A 94 10.435 38.846 52.123 1.00 18.88 C ATOM 919 CD ARG A 94 10.561 37.318 52.157 1.00 15.87 C ATOM 920 NE ARG A 94 11.639 36.935 53.084 1.00 16.92 N ATOM 921 CZ ARG A 94 12.148 35.714 53.189 1.00 16.58 C ATOM 922 NH1 ARG A 94 11.720 34.749 52.398 1.00 16.39 N ATOM 923 NH2 ARG A 94 13.146 35.474 54.031 1.00 17.42 N ATOM 924 HE ARG A 94 12.030 37.675 53.701 1.00 0.00 H ATOM 925 HH12 ARG A 94 12.120 33.793 52.481 1.00 0.00 H ATOM 926 HH11 ARG A 94 10.983 34.945 51.691 1.00 0.00 H ATOM 927 HH22 ARG A 94 13.541 34.515 54.109 1.00 0.00 H ATOM 928 HH21 ARG A 94 13.533 36.245 54.612 1.00 0.00 H ATOM 929 H ARG A 94 10.328 41.163 50.106 1.00 0.00 H ATOM 930 N PRO A 95 13.998 41.582 52.592 1.00 19.82 N ATOM 931 CA PRO A 95 15.372 42.093 52.465 1.00 20.17 C ATOM 932 C PRO A 95 16.130 41.436 51.307 1.00 20.46 C ATOM 933 O PRO A 95 16.026 40.208 51.103 1.00 19.60 O ATOM 934 CB PRO A 95 16.012 41.698 53.796 1.00 20.47 C ATOM 935 CG PRO A 95 14.901 41.694 54.777 1.00 21.28 C ATOM 936 CD PRO A 95 13.633 41.344 54.003 1.00 20.09 C ATOM 937 N GLY A 96 16.845 42.262 50.539 1.00 20.32 N ATOM 938 CA GLY A 96 17.644 41.777 49.407 1.00 20.93 C ATOM 939 C GLY A 96 16.921 41.719 48.076 1.00 21.49 C ATOM 940 O GLY A 96 17.565 41.761 47.023 1.00 22.25 O ATOM 941 H GLY A 96 16.835 43.280 50.749 1.00 0.00 H ATOM 942 N ILE A 97 15.598 41.610 48.101 1.00 19.88 N ATOM 943 CA ILE A 97 14.832 41.435 46.858 1.00 20.75 C ATOM 944 C ILE A 97 14.915 42.644 45.913 1.00 21.42 C ATOM 945 O ILE A 97 15.186 42.484 44.715 1.00 21.61 O ATOM 946 CB ILE A 97 13.336 41.083 47.160 1.00 19.87 C ATOM 947 CG1 ILE A 97 13.203 39.692 47.818 1.00 19.57 C ATOM 948 CG2 ILE A 97 12.461 41.208 45.882 1.00 19.49 C ATOM 949 CD1 ILE A 97 13.662 38.480 46.962 1.00 19.32 C ATOM 950 H ILE A 97 15.097 41.649 49.012 1.00 0.00 H ATOM 951 N ALA A 98 14.675 43.849 46.437 1.00 23.09 N ATOM 952 CA ALA A 98 14.667 45.034 45.584 1.00 23.16 C ATOM 953 C ALA A 98 16.017 45.253 44.932 1.00 23.49 C ATOM 954 O ALA A 98 16.104 45.515 43.736 1.00 23.90 O ATOM 955 CB ALA A 98 14.256 46.294 46.383 1.00 23.76 C ATOM 956 H ALA A 98 14.493 43.944 47.457 1.00 0.00 H ATOM 957 N ASP A 99 17.067 45.156 45.737 1.00 24.15 N ATOM 958 CA ASP A 99 18.418 45.337 45.222 1.00 25.22 C ATOM 959 C ASP A 99 18.789 44.272 44.196 1.00 24.81 C ATOM 960 O ASP A 99 19.406 44.596 43.188 1.00 25.14 O ATOM 961 CB ASP A 99 19.435 45.327 46.363 1.00 25.86 C ATOM 962 CG ASP A 99 19.325 46.538 47.265 1.00 29.13 C ATOM 963 OD1 ASP A 99 18.734 47.572 46.861 1.00 30.81 O ATOM 964 OD2 ASP A 99 19.849 46.436 48.391 1.00 33.58 O ATOM 965 H ASP A 99 16.924 44.949 46.746 1.00 0.00 H ATOM 966 N LEU A 100 18.441 43.009 44.459 1.00 23.82 N ATOM 967 CA LEU A 100 18.765 41.911 43.539 1.00 23.08 C ATOM 968 C LEU A 100 18.135 42.167 42.175 1.00 22.46 C ATOM 969 O LEU A 100 18.792 42.014 41.140 1.00 22.41 O ATOM 970 CB LEU A 100 18.320 40.547 44.095 1.00 23.14 C ATOM 971 CG LEU A 100 18.533 39.320 43.195 1.00 23.14 C ATOM 972 CD1 LEU A 100 20.025 39.109 42.903 1.00 23.53 C ATOM 973 CD2 LEU A 100 17.931 38.016 43.761 1.00 22.86 C ATOM 974 H LEU A 100 17.927 42.798 45.338 1.00 0.00 H ATOM 975 N ILE A 101 16.874 42.581 42.183 1.00 21.66 N ATOM 976 CA ILE A 101 16.126 42.846 40.965 1.00 21.78 C ATOM 977 C ILE A 101 16.723 44.026 40.179 1.00 22.54 C ATOM 978 O ILE A 101 16.924 43.925 38.954 1.00 22.99 O ATOM 979 CB ILE A 101 14.625 43.041 41.255 1.00 21.78 C ATOM 980 CG1 ILE A 101 13.985 41.661 41.459 1.00 21.54 C ATOM 981 CG2 ILE A 101 13.927 43.710 40.106 1.00 20.95 C ATOM 982 CD1 ILE A 101 12.597 41.713 42.074 1.00 21.72 C ATOM 983 H ILE A 101 16.401 42.722 43.099 1.00 0.00 H ATOM 984 N ALA A 102 17.026 45.119 40.885 1.00 23.25 N ATOM 985 CA ALA A 102 17.646 46.273 40.236 1.00 24.12 C ATOM 986 C ALA A 102 19.018 45.900 39.670 1.00 24.34 C ATOM 987 O ALA A 102 19.381 46.328 38.569 1.00 24.34 O ATOM 988 CB ALA A 102 17.749 47.438 41.206 1.00 24.56 C ATOM 989 H ALA A 102 16.819 45.149 41.904 1.00 0.00 H ATOM 990 N GLU A 103 19.764 45.082 40.402 1.00 23.82 N ATOM 991 CA GLU A 103 21.081 44.643 39.937 1.00 24.99 C ATOM 992 C GLU A 103 20.996 43.749 38.698 1.00 25.22 C ATOM 993 O GLU A 103 21.808 43.864 37.753 1.00 25.16 O ATOM 994 CB GLU A 103 21.781 43.884 41.047 1.00 25.51 C ATOM 995 CG GLU A 103 23.223 43.554 40.756 1.00 27.98 C ATOM 996 CD GLU A 103 23.891 42.778 41.874 1.00 30.11 C ATOM 997 OE1 GLU A 103 23.179 42.353 42.816 1.00 29.62 O ATOM 998 OE2 GLU A 103 25.131 42.588 41.804 1.00 31.63 O ATOM 999 H GLU A 103 19.408 44.748 41.320 1.00 0.00 H ATOM 1000 N ALA A 104 20.027 42.836 38.718 1.00 24.80 N ATOM 1001 CA ALA A 104 19.795 41.949 37.590 1.00 25.09 C ATOM 1002 C ALA A 104 19.438 42.757 36.349 1.00 25.58 C ATOM 1003 O ALA A 104 19.903 42.440 35.249 1.00 26.26 O ATOM 1004 CB ALA A 104 18.660 40.925 37.938 1.00 23.84 C ATOM 1005 H ALA A 104 19.422 42.756 39.560 1.00 0.00 H ATOM 1006 N LYS A 105 18.625 43.800 36.521 1.00 26.43 N ATOM 1007 CA LYS A 105 18.215 44.639 35.399 1.00 27.95 C ATOM 1008 C LYS A 105 19.398 45.387 34.774 1.00 28.69 C ATOM 1009 O LYS A 105 19.488 45.502 33.546 1.00 29.25 O ATOM 1010 CB LYS A 105 17.121 45.613 35.827 1.00 28.42 C ATOM 1011 CG LYS A 105 15.753 44.983 35.869 1.00 29.15 C ATOM 1012 CD LYS A 105 14.733 45.963 36.386 1.00 31.05 C ATOM 1013 CE LYS A 105 13.305 45.403 36.301 1.00 33.38 C ATOM 1014 NZ LYS A 105 12.867 45.142 34.895 1.00 35.03 N ATOM 1015 HZ1 LYS A 105 12.893 46.030 34.355 1.00 0.00 H ATOM 1016 HZ2 LYS A 105 13.507 44.449 34.457 1.00 0.00 H ATOM 1017 HZ3 LYS A 105 11.897 44.766 34.899 1.00 0.00 H ATOM 1018 H LYS A 105 18.275 44.020 37.475 1.00 0.00 H ATOM 1019 N ARG A 106 20.295 45.898 35.610 1.00 29.10 N ATOM 1020 CA ARG A 106 21.508 46.570 35.113 1.00 29.28 C ATOM 1021 C ARG A 106 22.393 45.590 34.338 1.00 29.47 C ATOM 1022 O ARG A 106 23.046 45.961 33.358 1.00 29.16 O ATOM 1023 CB ARG A 106 22.290 47.198 36.267 1.00 29.88 C ATOM 1024 CG ARG A 106 21.627 48.462 36.819 1.00 31.59 C ATOM 1025 CD ARG A 106 22.536 49.225 37.788 1.00 34.67 C ATOM 1026 NE ARG A 106 22.961 48.419 38.938 1.00 35.67 N ATOM 1027 CZ ARG A 106 22.300 48.329 40.090 1.00 36.64 C ATOM 1028 NH1 ARG A 106 21.167 49.008 40.269 1.00 36.93 N ATOM 1029 NH2 ARG A 106 22.786 47.568 41.065 1.00 35.40 N ATOM 1030 HE ARG A 106 23.844 47.878 38.846 1.00 0.00 H ATOM 1031 HH12 ARG A 106 20.654 48.935 41.171 1.00 0.00 H ATOM 1032 HH11 ARG A 106 20.796 49.611 39.507 1.00 0.00 H ATOM 1033 HH22 ARG A 106 22.276 47.492 41.968 1.00 0.00 H ATOM 1034 HH21 ARG A 106 23.676 47.049 40.925 1.00 0.00 H ATOM 1035 H ARG A 106 20.138 45.822 36.635 1.00 0.00 H ATOM 1036 N ALA A 107 22.396 44.336 34.774 1.00 28.51 N ATOM 1037 CA ALA A 107 23.176 43.286 34.143 1.00 28.71 C ATOM 1038 C ALA A 107 22.514 42.647 32.911 1.00 28.27 C ATOM 1039 O ALA A 107 23.121 41.770 32.286 1.00 29.15 O ATOM 1040 CB ALA A 107 23.522 42.231 35.164 1.00 28.61 C ATOM 1041 H ALA A 107 21.815 44.095 35.602 1.00 0.00 H ATOM 1042 N GLY A 108 21.283 43.058 32.582 1.00 28.37 N ATOM 1043 CA GLY A 108 20.544 42.506 31.433 1.00 27.91 C ATOM 1044 C GLY A 108 20.027 41.078 31.615 1.00 27.36 C ATOM 1045 O GLY A 108 19.786 40.352 30.636 1.00 27.91 O ATOM 1046 H GLY A 108 20.831 43.795 33.160 1.00 0.00 H ATOM 1047 N ILE A 109 19.850 40.674 32.870 1.00 26.51 N ATOM 1048 CA ILE A 109 19.328 39.346 33.206 1.00 26.15 C ATOM 1049 C ILE A 109 17.806 39.370 33.200 1.00 25.81 C ATOM 1050 O ILE A 109 17.171 40.255 33.797 1.00 27.11 O ATOM 1051 CB ILE A 109 19.881 38.865 34.559 1.00 25.71 C ATOM 1052 CG1 ILE A 109 21.397 38.628 34.430 1.00 27.02 C ATOM 1053 CG2 ILE A 109 19.145 37.617 35.052 1.00 26.08 C ATOM 1054 CD1 ILE A 109 22.110 38.672 35.736 1.00 27.87 C ATOM 1055 H ILE A 109 20.091 41.326 33.643 1.00 0.00 H ATOM 1056 N ARG A 110 17.233 38.409 32.488 1.00 24.93 N ATOM 1057 CA ARG A 110 15.787 38.301 32.357 1.00 24.49 C ATOM 1058 C ARG A 110 15.181 37.788 33.667 1.00 22.10 C ATOM 1059 O ARG A 110 15.797 37.014 34.369 1.00 22.28 O ATOM 1060 CB ARG A 110 15.456 37.369 31.195 1.00 25.45 C ATOM 1061 CG ARG A 110 16.095 37.823 29.865 1.00 29.94 C ATOM 1062 CD ARG A 110 15.494 37.093 28.668 1.00 35.83 C ATOM 1063 NE ARG A 110 14.070 37.410 28.528 1.00 40.21 N ATOM 1064 CZ ARG A 110 13.228 36.800 27.694 1.00 43.14 C ATOM 1065 NH1 ARG A 110 13.662 35.831 26.892 1.00 44.43 N ATOM 1066 NH2 ARG A 110 11.948 37.167 27.659 1.00 43.91 N ATOM 1067 HE ARG A 110 13.687 38.170 29.126 1.00 0.00 H ATOM 1068 HH12 ARG A 110 13.001 35.358 26.243 1.00 0.00 H ATOM 1069 HH11 ARG A 110 14.662 35.547 26.914 1.00 0.00 H ATOM 1070 HH22 ARG A 110 11.289 36.693 27.009 1.00 0.00 H ATOM 1071 HH21 ARG A 110 11.608 37.928 28.281 1.00 0.00 H ATOM 1072 H ARG A 110 17.836 37.710 32.008 1.00 0.00 H ATOM 1073 N LEU A 111 13.994 38.291 33.994 1.00 21.05 N ATOM 1074 CA LEU A 111 13.324 37.959 35.256 1.00 19.52 C ATOM 1075 C LEU A 111 11.929 37.431 35.005 1.00 18.14 C ATOM 1076 O LEU A 111 11.202 37.933 34.140 1.00 17.92 O ATOM 1077 CB LEU A 111 13.222 39.208 36.136 1.00 19.24 C ATOM 1078 CG LEU A 111 14.536 39.950 36.396 1.00 20.67 C ATOM 1079 CD1 LEU A 111 14.237 41.231 37.183 1.00 23.37 C ATOM 1080 CD2 LEU A 111 15.600 39.091 37.103 1.00 22.26 C ATOM 1081 H LEU A 111 13.525 38.942 33.332 1.00 0.00 H ATOM 1082 N ALA A 112 11.556 36.401 35.773 1.00 17.13 N ATOM 1083 CA ALA A 112 10.218 35.855 35.730 1.00 16.33 C ATOM 1084 C ALA A 112 9.638 35.742 37.136 1.00 15.43 C ATOM 1085 O ALA A 112 10.365 35.642 38.119 1.00 16.19 O ATOM 1086 CB ALA A 112 10.207 34.487 35.059 1.00 16.54 C ATOM 1087 H ALA A 112 12.251 35.979 36.422 1.00 0.00 H ATOM 1088 N VAL A 113 8.319 35.727 37.170 1.00 16.01 N ATOM 1089 CA VAL A 113 7.560 35.261 38.319 1.00 16.34 C ATOM 1090 C VAL A 113 7.020 33.862 37.963 1.00 15.95 C ATOM 1091 O VAL A 113 6.572 33.621 36.820 1.00 15.50 O ATOM 1092 CB VAL A 113 6.413 36.260 38.648 1.00 17.63 C ATOM 1093 CG1 VAL A 113 5.203 35.575 39.228 1.00 20.50 C ATOM 1094 CG2 VAL A 113 6.968 37.335 39.563 1.00 19.38 C ATOM 1095 H VAL A 113 7.798 36.064 36.336 1.00 0.00 H ATOM 1096 N ALA A 114 7.076 32.948 38.937 1.00 15.50 N ATOM 1097 CA ALA A 114 6.422 31.636 38.814 1.00 15.00 C ATOM 1098 C ALA A 114 5.724 31.376 40.132 1.00 13.96 C ATOM 1099 O ALA A 114 6.374 31.123 41.150 1.00 14.13 O ATOM 1100 CB ALA A 114 7.439 30.507 38.494 1.00 14.45 C ATOM 1101 H ALA A 114 7.598 33.171 39.808 1.00 0.00 H ATOM 1102 N THR A 115 4.401 31.483 40.112 1.00 13.27 N ATOM 1103 CA THR A 115 3.610 31.542 41.347 1.00 13.48 C ATOM 1104 C THR A 115 2.306 30.806 41.195 1.00 13.65 C ATOM 1105 O THR A 115 1.771 30.686 40.089 1.00 13.55 O ATOM 1106 CB THR A 115 3.361 33.018 41.758 1.00 13.61 C ATOM 1107 OG1 THR A 115 2.618 33.063 42.981 1.00 13.06 O ATOM 1108 CG2 THR A 115 2.593 33.778 40.686 1.00 13.32 C ATOM 1109 HG1 THR A 115 3.131 32.606 43.694 1.00 0.00 H ATOM 1110 H THR A 115 3.911 31.526 39.196 1.00 0.00 H ATOM 1111 N THR A 116 1.806 30.314 42.324 1.00 13.55 N ATOM 1112 CA THR A 116 0.483 29.694 42.396 1.00 14.16 C ATOM 1113 C THR A 116 -0.621 30.718 42.574 1.00 14.24 C ATOM 1114 O THR A 116 -1.799 30.389 42.413 1.00 14.52 O ATOM 1115 CB THR A 116 0.374 28.674 43.574 1.00 14.54 C ATOM 1116 OG1 THR A 116 0.516 29.360 44.823 1.00 14.31 O ATOM 1117 CG2 THR A 116 1.458 27.581 43.451 1.00 15.68 C ATOM 1118 HG1 THR A 116 1.400 29.805 44.855 1.00 0.00 H ATOM 1119 H THR A 116 2.378 30.372 43.191 1.00 0.00 H ATOM 1120 N THR A 117 -0.239 31.961 42.887 1.00 13.38 N ATOM 1121 CA THR A 117 -1.215 33.007 43.242 1.00 14.50 C ATOM 1122 C THR A 117 -1.933 33.576 42.020 1.00 15.35 C ATOM 1123 O THR A 117 -1.412 33.498 40.880 1.00 14.87 O ATOM 1124 CB THR A 117 -0.482 34.134 44.055 1.00 14.78 C ATOM 1125 OG1 THR A 117 -1.383 34.756 44.976 1.00 14.43 O ATOM 1126 CG2 THR A 117 0.128 35.231 43.186 1.00 15.66 C ATOM 1127 HG1 THR A 117 -1.728 34.077 45.608 1.00 0.00 H ATOM 1128 H THR A 117 0.774 32.196 42.880 1.00 0.00 H ATOM 1129 N SER A 118 -3.094 34.179 42.267 1.00 15.70 N ATOM 1130 CA SER A 118 -3.875 34.834 41.210 1.00 16.83 C ATOM 1131 C SER A 118 -3.124 35.985 40.572 1.00 17.26 C ATOM 1132 O SER A 118 -2.478 36.771 41.261 1.00 17.32 O ATOM 1133 CB SER A 118 -5.180 35.348 41.805 1.00 16.38 C ATOM 1134 OG SER A 118 -5.846 34.286 42.433 1.00 16.61 O ATOM 1135 HG SER A 118 -5.273 33.918 43.152 1.00 0.00 H ATOM 1136 H SER A 118 -3.460 34.186 43.241 1.00 0.00 H ATOM 1137 N LEU A 119 -3.236 36.092 39.244 1.00 18.35 N ATOM 1138 CA LEU A 119 -2.530 37.166 38.528 1.00 19.48 C ATOM 1139 C LEU A 119 -2.758 38.593 39.064 1.00 19.49 C ATOM 1140 O LEU A 119 -1.809 39.350 39.209 1.00 20.96 O ATOM 1141 CB LEU A 119 -2.805 37.098 37.009 1.00 20.16 C ATOM 1142 CG LEU A 119 -2.093 38.133 36.150 1.00 23.72 C ATOM 1143 CD1 LEU A 119 -0.564 38.038 36.286 1.00 24.24 C ATOM 1144 CD2 LEU A 119 -2.561 37.900 34.712 1.00 23.83 C ATOM 1145 H LEU A 119 -3.823 35.415 38.716 1.00 0.00 H ATOM 1146 N PRO A 120 -4.009 38.942 39.418 1.00 19.21 N ATOM 1147 CA PRO A 120 -4.173 40.321 39.918 1.00 19.90 C ATOM 1148 C PRO A 120 -3.347 40.609 41.178 1.00 19.90 C ATOM 1149 O PRO A 120 -3.020 41.770 41.486 1.00 20.25 O ATOM 1150 CB PRO A 120 -5.663 40.406 40.263 1.00 19.67 C ATOM 1151 CG PRO A 120 -6.308 39.360 39.438 1.00 19.80 C ATOM 1152 CD PRO A 120 -5.299 38.258 39.203 1.00 19.33 C ATOM 1153 N ASN A 121 -3.035 39.565 41.943 1.00 18.28 N ATOM 1154 CA ASN A 121 -2.237 39.744 43.140 1.00 17.92 C ATOM 1155 C ASN A 121 -0.814 40.150 42.824 1.00 17.85 C ATOM 1156 O ASN A 121 -0.189 40.884 43.580 1.00 18.62 O ATOM 1157 CB ASN A 121 -2.183 38.443 43.951 1.00 17.18 C ATOM 1158 CG ASN A 121 -3.541 38.000 44.446 1.00 17.27 C ATOM 1159 OD1 ASN A 121 -4.502 38.776 44.490 1.00 19.38 O ATOM 1160 ND2 ASN A 121 -3.611 36.749 44.875 1.00 16.70 N ATOM 1161 HD22 ASN A 121 -2.776 36.132 44.818 1.00 0.00 H ATOM 1162 HD21 ASN A 121 -4.501 36.383 45.269 1.00 0.00 H ATOM 1163 H ASN A 121 -3.366 38.615 41.680 1.00 0.00 H ATOM 1164 N VAL A 122 -0.290 39.617 41.723 1.00 18.21 N ATOM 1165 CA VAL A 122 1.051 39.927 41.286 1.00 18.07 C ATOM 1166 C VAL A 122 1.095 41.403 40.902 1.00 18.20 C ATOM 1167 O VAL A 122 2.032 42.127 41.309 1.00 19.14 O ATOM 1168 CB VAL A 122 1.502 39.032 40.105 1.00 17.37 C ATOM 1169 CG1 VAL A 122 2.934 39.358 39.671 1.00 18.71 C ATOM 1170 CG2 VAL A 122 1.410 37.510 40.514 1.00 17.28 C ATOM 1171 H VAL A 122 -0.864 38.957 41.160 1.00 0.00 H ATOM 1172 N GLU A 123 0.094 41.805 40.117 1.00 19.03 N ATOM 1173 CA GLU A 123 -0.045 43.221 39.712 1.00 19.99 C ATOM 1174 C GLU A 123 -0.134 44.120 40.936 1.00 20.53 C ATOM 1175 O GLU A 123 0.605 45.102 41.049 1.00 20.53 O ATOM 1176 CB GLU A 123 -1.261 43.410 38.812 1.00 20.91 C ATOM 1177 CG GLU A 123 -1.073 42.869 37.406 1.00 24.99 C ATOM 1178 CD GLU A 123 -0.038 43.635 36.562 1.00 31.13 C ATOM 1179 OE1 GLU A 123 0.518 44.693 36.989 1.00 28.63 O ATOM 1180 OE2 GLU A 123 0.223 43.148 35.437 1.00 34.65 O ATOM 1181 H GLU A 123 -0.603 41.109 39.783 1.00 0.00 H ATOM 1182 N ALA A 124 -1.011 43.761 41.867 1.00 19.74 N ATOM 1183 CA ALA A 124 -1.204 44.570 43.066 1.00 20.10 C ATOM 1184 C ALA A 124 0.080 44.678 43.875 1.00 20.13 C ATOM 1185 O ALA A 124 0.442 45.758 44.357 1.00 20.74 O ATOM 1186 CB ALA A 124 -2.308 43.998 43.920 1.00 20.73 C ATOM 1187 H ALA A 124 -1.567 42.892 41.740 1.00 0.00 H ATOM 1188 N LEU A 125 0.786 43.558 44.053 1.00 19.27 N ATOM 1189 CA LEU A 125 2.035 43.610 44.785 1.00 18.51 C ATOM 1190 C LEU A 125 3.086 44.462 44.097 1.00 18.67 C ATOM 1191 O LEU A 125 3.793 45.211 44.771 1.00 18.72 O ATOM 1192 CB LEU A 125 2.578 42.193 45.028 1.00 19.17 C ATOM 1193 CG LEU A 125 3.918 42.017 45.757 1.00 18.82 C ATOM 1194 CD1 LEU A 125 4.003 40.630 46.447 1.00 22.21 C ATOM 1195 CD2 LEU A 125 5.110 42.170 44.813 1.00 24.01 C ATOM 1196 H LEU A 125 0.441 42.655 43.669 1.00 0.00 H ATOM 1197 N CYS A 126 3.185 44.377 42.769 1.00 18.74 N ATOM 1198 CA CYS A 126 4.213 45.165 42.075 1.00 19.50 C ATOM 1199 C CYS A 126 3.909 46.678 42.156 1.00 19.72 C ATOM 1200 O CYS A 126 4.827 47.449 42.377 1.00 20.57 O ATOM 1201 CB CYS A 126 4.423 44.713 40.624 1.00 18.82 C ATOM 1202 SG CYS A 126 5.170 43.048 40.475 1.00 20.64 S ATOM 1203 H CYS A 126 2.542 43.761 42.232 1.00 0.00 H ATOM 1204 N ARG A 127 2.646 47.078 42.002 1.00 21.11 N ATOM 1205 CA ARG A 127 2.240 48.481 42.202 1.00 22.21 C ATOM 1206 C ARG A 127 2.626 48.944 43.606 1.00 22.59 C ATOM 1207 O ARG A 127 3.262 49.995 43.782 1.00 22.91 O ATOM 1208 CB ARG A 127 0.733 48.648 41.995 1.00 22.26 C ATOM 1209 CG ARG A 127 0.256 48.420 40.569 1.00 25.72 C ATOM 1210 CD ARG A 127 -1.178 48.914 40.369 1.00 29.74 C ATOM 1211 NE ARG A 127 -2.163 48.192 41.176 1.00 33.05 N ATOM 1212 CZ ARG A 127 -2.818 47.103 40.762 1.00 33.19 C ATOM 1213 NH1 ARG A 127 -2.592 46.615 39.546 1.00 34.40 N ATOM 1214 NH2 ARG A 127 -3.701 46.507 41.557 1.00 31.07 N ATOM 1215 HE ARG A 127 -2.366 48.549 42.132 1.00 0.00 H ATOM 1216 HH12 ARG A 127 -3.101 45.768 39.223 1.00 0.00 H ATOM 1217 HH11 ARG A 127 -1.906 47.081 38.918 1.00 0.00 H ATOM 1218 HH22 ARG A 127 -4.207 45.660 41.229 1.00 0.00 H ATOM 1219 HH21 ARG A 127 -3.885 46.888 42.507 1.00 0.00 H ATOM 1220 H ARG A 127 1.925 46.378 41.732 1.00 0.00 H ATOM 1221 N ALA A 128 2.263 48.140 44.603 1.00 23.16 N ATOM 1222 CA ALA A 128 2.492 48.526 46.005 1.00 23.48 C ATOM 1223 C ALA A 128 3.952 48.528 46.434 1.00 23.64 C ATOM 1224 O ALA A 128 4.362 49.386 47.219 1.00 24.83 O ATOM 1225 CB ALA A 128 1.690 47.655 46.954 1.00 23.71 C ATOM 1226 H ALA A 128 1.812 47.228 44.389 1.00 0.00 H ATOM 1227 N CYS A 129 4.736 47.579 45.922 1.00 22.67 N ATOM 1228 CA CYS A 129 6.068 47.330 46.441 1.00 23.58 C ATOM 1229 C CYS A 129 7.175 47.855 45.557 1.00 22.86 C ATOM 1230 O CYS A 129 8.257 48.175 46.051 1.00 23.54 O ATOM 1231 CB CYS A 129 6.272 45.830 46.646 1.00 23.14 C ATOM 1232 SG CYS A 129 5.246 45.141 47.952 1.00 27.58 S ATOM 1233 H CYS A 129 4.384 47.003 45.131 1.00 0.00 H ATOM 1234 N PHE A 130 6.927 47.887 44.248 1.00 22.66 N ATOM 1235 CA PHE A 130 7.926 48.405 43.307 1.00 22.59 C ATOM 1236 C PHE A 130 7.504 49.766 42.763 1.00 22.35 C ATOM 1237 O PHE A 130 8.350 50.511 42.261 1.00 23.80 O ATOM 1238 CB PHE A 130 8.157 47.466 42.106 1.00 23.27 C ATOM 1239 CG PHE A 130 8.806 46.142 42.455 1.00 22.61 C ATOM 1240 CD1 PHE A 130 10.190 46.022 42.511 1.00 25.20 C ATOM 1241 CD2 PHE A 130 8.026 45.017 42.717 1.00 24.94 C ATOM 1242 CE1 PHE A 130 10.791 44.815 42.826 1.00 25.13 C ATOM 1243 CE2 PHE A 130 8.621 43.796 43.031 1.00 22.94 C ATOM 1244 CZ PHE A 130 10.001 43.694 43.091 1.00 23.62 C ATOM 1245 H PHE A 130 6.014 47.541 43.889 1.00 0.00 H ATOM 1246 N GLY A 131 6.206 50.063 42.827 1.00 21.96 N ATOM 1247 CA GLY A 131 5.640 51.262 42.183 1.00 22.31 C ATOM 1248 C GLY A 131 5.476 51.161 40.673 1.00 22.66 C ATOM 1249 O GLY A 131 5.317 52.168 39.996 1.00 22.93 O ATOM 1250 H GLY A 131 5.571 49.427 43.349 1.00 0.00 H ATOM 1251 N HIS A 132 5.492 49.940 40.140 1.00 21.67 N ATOM 1252 CA HIS A 132 5.365 49.715 38.690 1.00 21.59 C ATOM 1253 C HIS A 132 4.402 48.582 38.379 1.00 21.92 C ATOM 1254 O HIS A 132 4.236 47.669 39.199 1.00 21.02 O ATOM 1255 CB HIS A 132 6.725 49.329 38.098 1.00 22.01 C ATOM 1256 CG HIS A 132 7.725 50.441 38.097 1.00 22.71 C ATOM 1257 ND1 HIS A 132 8.085 51.121 36.953 1.00 25.26 N ATOM 1258 CD2 HIS A 132 8.458 50.976 39.101 1.00 21.67 C ATOM 1259 CE1 HIS A 132 8.977 52.050 37.259 1.00 24.35 C ATOM 1260 NE2 HIS A 132 9.222 51.983 38.556 1.00 22.01 N ATOM 1261 H HIS A 132 5.598 49.118 40.769 1.00 0.00 H ATOM 1262 N PRO A 133 3.791 48.594 37.186 1.00 21.31 N ATOM 1263 CA PRO A 133 3.031 47.421 36.735 1.00 21.13 C ATOM 1264 C PRO A 133 3.956 46.202 36.684 1.00 20.90 C ATOM 1265 O PRO A 133 5.179 46.338 36.475 1.00 20.04 O ATOM 1266 CB PRO A 133 2.585 47.811 35.323 1.00 21.14 C ATOM 1267 CG PRO A 133 2.622 49.299 35.308 1.00 21.23 C ATOM 1268 CD PRO A 133 3.787 49.665 36.168 1.00 21.44 C ATOM 1269 N ALA A 134 3.395 45.011 36.880 1.00 20.93 N ATOM 1270 CA ALA A 134 4.238 43.824 36.917 1.00 20.14 C ATOM 1271 C ALA A 134 5.105 43.593 35.683 1.00 20.73 C ATOM 1272 O ALA A 134 6.246 43.158 35.815 1.00 19.76 O ATOM 1273 CB ALA A 134 3.403 42.568 37.228 1.00 20.54 C ATOM 1274 H ALA A 134 2.366 44.929 37.005 1.00 0.00 H ATOM 1275 N ARG A 135 4.579 43.890 34.497 1.00 21.28 N ATOM 1276 CA ARG A 135 5.337 43.653 33.269 1.00 22.39 C ATOM 1277 C ARG A 135 6.527 44.585 33.074 1.00 22.32 C ATOM 1278 O ARG A 135 7.353 44.357 32.185 1.00 22.93 O ATOM 1279 CB ARG A 135 4.428 43.696 32.042 1.00 22.82 C ATOM 1280 CG ARG A 135 3.714 42.392 31.787 1.00 25.84 C ATOM 1281 CD ARG A 135 4.699 41.262 31.480 1.00 30.35 C ATOM 1282 NE ARG A 135 5.131 41.250 30.083 1.00 32.66 N ATOM 1283 CZ ARG A 135 6.340 41.619 29.675 1.00 33.18 C ATOM 1284 NH1 ARG A 135 7.236 42.031 30.556 1.00 31.90 N ATOM 1285 NH2 ARG A 135 6.652 41.581 28.385 1.00 34.71 N ATOM 1286 HE ARG A 135 4.449 40.933 29.364 1.00 0.00 H ATOM 1287 HH12 ARG A 135 8.183 42.320 30.238 1.00 0.00 H ATOM 1288 HH11 ARG A 135 6.994 42.066 31.567 1.00 0.00 H ATOM 1289 HH22 ARG A 135 7.600 41.871 28.071 1.00 0.00 H ATOM 1290 HH21 ARG A 135 5.948 41.261 27.689 1.00 0.00 H ATOM 1291 H ARG A 135 3.622 44.294 34.443 1.00 0.00 H ATOM 1292 N GLU A 136 6.623 45.627 33.900 1.00 22.32 N ATOM 1293 CA GLU A 136 7.809 46.478 33.880 1.00 22.71 C ATOM 1294 C GLU A 136 8.923 45.948 34.776 1.00 22.74 C ATOM 1295 O GLU A 136 10.082 46.365 34.673 1.00 24.31 O ATOM 1296 CB GLU A 136 7.451 47.909 34.260 1.00 22.88 C ATOM 1297 CG GLU A 136 6.772 48.657 33.141 1.00 24.08 C ATOM 1298 CD GLU A 136 6.504 50.105 33.502 1.00 27.13 C ATOM 1299 OE1 GLU A 136 6.673 50.495 34.675 1.00 27.84 O ATOM 1300 OE2 GLU A 136 6.112 50.855 32.599 1.00 30.55 O ATOM 1301 H GLU A 136 5.849 45.835 34.562 1.00 0.00 H ATOM 1302 N ILE A 137 8.585 45.011 35.659 1.00 21.69 N ATOM 1303 CA ILE A 137 9.575 44.412 36.547 1.00 21.60 C ATOM 1304 C ILE A 137 9.989 43.035 36.001 1.00 20.85 C ATOM 1305 O ILE A 137 11.181 42.727 35.935 1.00 21.69 O ATOM 1306 CB ILE A 137 9.042 44.257 37.998 1.00 20.90 C ATOM 1307 CG1 ILE A 137 8.509 45.598 38.553 1.00 23.04 C ATOM 1308 CG2 ILE A 137 10.094 43.598 38.906 1.00 21.43 C ATOM 1309 CD1 ILE A 137 9.524 46.760 38.637 1.00 25.68 C ATOM 1310 H ILE A 137 7.594 44.700 35.717 1.00 0.00 H ATOM 1311 N PHE A 138 8.984 42.250 35.585 1.00 20.13 N ATOM 1312 CA PHE A 138 9.170 40.878 35.144 1.00 19.87 C ATOM 1313 C PHE A 138 8.915 40.733 33.666 1.00 19.80 C ATOM 1314 O PHE A 138 7.873 41.157 33.148 1.00 21.31 O ATOM 1315 CB PHE A 138 8.275 39.944 35.983 1.00 19.32 C ATOM 1316 CG PHE A 138 8.601 39.996 37.459 1.00 19.21 C ATOM 1317 CD1 PHE A 138 9.758 39.395 37.959 1.00 19.99 C ATOM 1318 CD2 PHE A 138 7.785 40.694 38.340 1.00 18.94 C ATOM 1319 CE1 PHE A 138 10.093 39.489 39.308 1.00 19.05 C ATOM 1320 CE2 PHE A 138 8.104 40.772 39.697 1.00 18.87 C ATOM 1321 CZ PHE A 138 9.264 40.177 40.178 1.00 18.23 C ATOM 1322 H PHE A 138 8.021 42.644 35.578 1.00 0.00 H ATOM 1323 N ASP A 139 9.892 40.140 32.988 1.00 20.25 N ATOM 1324 CA ASP A 139 9.767 39.861 31.567 1.00 20.69 C ATOM 1325 C ASP A 139 8.743 38.796 31.237 1.00 20.29 C ATOM 1326 O ASP A 139 8.161 38.805 30.156 1.00 20.63 O ATOM 1327 CB ASP A 139 11.113 39.442 31.025 1.00 21.57 C ATOM 1328 CG ASP A 139 12.170 40.489 31.275 1.00 25.95 C ATOM 1329 OD1 ASP A 139 12.183 41.494 30.528 1.00 31.64 O ATOM 1330 OD2 ASP A 139 12.964 40.337 32.218 1.00 23.58 O ATOM 1331 H ASP A 139 10.765 39.870 33.485 1.00 0.00 H ATOM 1332 N VAL A 140 8.543 37.876 32.185 1.00 19.38 N ATOM 1333 CA VAL A 140 7.628 36.749 32.055 1.00 18.83 C ATOM 1334 C VAL A 140 6.886 36.596 33.384 1.00 17.39 C ATOM 1335 O VAL A 140 7.513 36.606 34.455 1.00 17.69 O ATOM 1336 CB VAL A 140 8.417 35.444 31.744 1.00 17.60 C ATOM 1337 CG1 VAL A 140 7.536 34.160 31.934 1.00 19.22 C ATOM 1338 CG2 VAL A 140 9.043 35.501 30.336 1.00 18.98 C ATOM 1339 H VAL A 140 9.075 37.970 33.074 1.00 0.00 H ATOM 1340 N ILE A 141 5.567 36.476 33.302 1.00 17.59 N ATOM 1341 CA ILE A 141 4.725 36.265 34.490 1.00 17.92 C ATOM 1342 C ILE A 141 3.917 34.981 34.310 1.00 16.75 C ATOM 1343 O ILE A 141 2.996 34.921 33.465 1.00 17.76 O ATOM 1344 CB ILE A 141 3.797 37.471 34.778 1.00 19.39 C ATOM 1345 CG1 ILE A 141 4.645 38.710 35.060 1.00 20.35 C ATOM 1346 CG2 ILE A 141 2.870 37.160 35.970 1.00 20.21 C ATOM 1347 CD1 ILE A 141 3.908 40.028 34.878 1.00 25.54 C ATOM 1348 H ILE A 141 5.114 36.533 32.368 1.00 0.00 H ATOM 1349 N ALA A 142 4.252 33.965 35.119 1.00 15.63 N ATOM 1350 CA ALA A 142 3.542 32.705 35.107 1.00 15.40 C ATOM 1351 C ALA A 142 2.825 32.556 36.443 1.00 15.15 C ATOM 1352 O ALA A 142 3.462 32.394 37.489 1.00 14.82 O ATOM 1353 CB ALA A 142 4.527 31.560 34.878 1.00 16.74 C ATOM 1354 H ALA A 142 5.048 34.087 35.777 1.00 0.00 H ATOM 1355 N ALA A 143 1.502 32.621 36.402 1.00 13.86 N ATOM 1356 CA ALA A 143 0.716 32.703 37.624 1.00 14.41 C ATOM 1357 C ALA A 143 -0.570 31.902 37.594 1.00 14.98 C ATOM 1358 O ALA A 143 -1.107 31.584 36.546 1.00 15.52 O ATOM 1359 CB ALA A 143 0.401 34.193 37.919 1.00 15.35 C ATOM 1360 H ALA A 143 1.018 32.613 35.482 1.00 0.00 H ATOM 1361 N GLY A 144 -1.084 31.596 38.779 1.00 14.77 N ATOM 1362 CA GLY A 144 -2.485 31.268 38.907 1.00 15.51 C ATOM 1363 C GLY A 144 -2.892 30.055 38.116 1.00 15.87 C ATOM 1364 O GLY A 144 -2.262 29.014 38.177 1.00 17.48 O ATOM 1365 H GLY A 144 -0.474 31.592 39.621 1.00 0.00 H ATOM 1366 N ASP A 145 -3.963 30.207 37.346 1.00 15.83 N ATOM 1367 CA ASP A 145 -4.536 29.084 36.633 1.00 16.66 C ATOM 1368 C ASP A 145 -3.977 28.979 35.206 1.00 15.99 C ATOM 1369 O ASP A 145 -4.607 28.359 34.326 1.00 16.69 O ATOM 1370 CB ASP A 145 -6.075 29.187 36.607 1.00 15.88 C ATOM 1371 CG ASP A 145 -6.694 29.049 37.967 1.00 19.45 C ATOM 1372 OD1 ASP A 145 -5.984 28.795 38.955 1.00 18.43 O ATOM 1373 OD2 ASP A 145 -7.913 29.210 38.061 1.00 20.42 O ATOM 1374 H ASP A 145 -4.397 31.147 37.253 1.00 0.00 H ATOM 1375 N MET A 146 -2.798 29.552 34.984 1.00 16.05 N ATOM 1376 CA MET A 146 -2.109 29.387 33.703 1.00 15.77 C ATOM 1377 C MET A 146 -1.646 27.957 33.481 1.00 16.35 C ATOM 1378 O MET A 146 -1.274 27.619 32.366 1.00 17.60 O ATOM 1379 CB MET A 146 -0.923 30.331 33.584 1.00 15.88 C ATOM 1380 CG MET A 146 -1.352 31.789 33.485 1.00 17.38 C ATOM 1381 SD MET A 146 0.069 32.866 33.314 1.00 20.69 S ATOM 1382 CE MET A 146 -0.625 34.475 33.657 1.00 26.61 C ATOM 1383 H MET A 146 -2.359 30.126 35.732 1.00 0.00 H ATOM 1384 N VAL A 147 -1.625 27.135 34.538 1.00 15.91 N ATOM 1385 CA VAL A 147 -1.348 25.689 34.414 1.00 16.53 C ATOM 1386 C VAL A 147 -2.437 24.917 35.126 1.00 16.81 C ATOM 1387 O VAL A 147 -3.110 25.467 35.999 1.00 18.02 O ATOM 1388 CB VAL A 147 0.055 25.308 35.001 1.00 15.94 C ATOM 1389 CG1 VAL A 147 1.152 25.955 34.138 1.00 16.20 C ATOM 1390 CG2 VAL A 147 0.166 25.681 36.518 1.00 17.57 C ATOM 1391 H VAL A 147 -1.811 27.530 35.482 1.00 0.00 H ATOM 1392 N ALA A 148 -2.594 23.642 34.771 1.00 17.59 N ATOM 1393 CA ALA A 148 -3.638 22.800 35.373 1.00 18.34 C ATOM 1394 C ALA A 148 -3.290 22.219 36.750 1.00 18.12 C ATOM 1395 O ALA A 148 -4.192 21.945 37.558 1.00 20.74 O ATOM 1396 CB ALA A 148 -3.999 21.687 34.432 1.00 18.36 C ATOM 1397 H ALA A 148 -1.964 23.233 34.052 1.00 0.00 H ATOM 1398 N GLU A 149 -2.005 22.024 37.016 1.00 17.24 N ATOM 1399 CA GLU A 149 -1.559 21.497 38.290 1.00 16.90 C ATOM 1400 C GLU A 149 -0.585 22.466 38.938 1.00 15.35 C ATOM 1401 O GLU A 149 0.431 22.825 38.335 1.00 15.76 O ATOM 1402 CB GLU A 149 -0.884 20.153 38.108 1.00 18.01 C ATOM 1403 CG GLU A 149 -1.846 19.043 37.684 1.00 23.15 C ATOM 1404 CD GLU A 149 -1.114 17.747 37.569 1.00 29.13 C ATOM 1405 OE1 GLU A 149 -0.563 17.484 36.474 1.00 33.19 O ATOM 1406 OE2 GLU A 149 -1.028 17.030 38.594 1.00 35.03 O ATOM 1407 H GLU A 149 -1.298 22.256 36.290 1.00 0.00 H ATOM 1408 N LYS A 150 -0.900 22.852 40.171 1.00 13.94 N ATOM 1409 CA LYS A 150 -0.073 23.858 40.870 1.00 14.13 C ATOM 1410 C LYS A 150 1.093 23.224 41.622 1.00 13.75 C ATOM 1411 O LYS A 150 1.168 21.976 41.760 1.00 14.32 O ATOM 1412 CB LYS A 150 -0.946 24.709 41.784 1.00 14.28 C ATOM 1413 CG LYS A 150 -1.917 25.622 41.009 1.00 14.18 C ATOM 1414 CD LYS A 150 -2.763 26.438 41.968 1.00 15.35 C ATOM 1415 CE LYS A 150 -3.569 27.481 41.248 1.00 17.14 C ATOM 1416 NZ LYS A 150 -4.704 26.879 40.428 1.00 16.71 N ATOM 1417 HZ1 LYS A 150 -4.310 26.231 39.717 1.00 0.00 H ATOM 1418 HZ2 LYS A 150 -5.346 26.356 41.058 1.00 0.00 H ATOM 1419 HZ3 LYS A 150 -5.228 27.641 39.952 1.00 0.00 H ATOM 1420 H LYS A 150 -1.731 22.445 40.645 1.00 0.00 H ATOM 1421 N LYS A 151 2.012 24.063 42.109 1.00 13.76 N ATOM 1422 CA LYS A 151 3.146 23.561 42.898 1.00 13.56 C ATOM 1423 C LYS A 151 2.589 22.616 43.970 1.00 14.33 C ATOM 1424 O LYS A 151 1.593 22.934 44.618 1.00 14.30 O ATOM 1425 CB LYS A 151 3.952 24.713 43.534 1.00 14.02 C ATOM 1426 CG LYS A 151 4.354 25.841 42.558 1.00 13.98 C ATOM 1427 CD LYS A 151 5.242 26.855 43.236 1.00 13.44 C ATOM 1428 CE LYS A 151 5.381 28.091 42.400 1.00 13.77 C ATOM 1429 NZ LYS A 151 6.012 29.184 43.245 1.00 14.86 N ATOM 1430 HZ1 LYS A 151 5.405 29.380 44.066 1.00 0.00 H ATOM 1431 HZ2 LYS A 151 6.949 28.871 43.571 1.00 0.00 H ATOM 1432 HZ3 LYS A 151 6.113 30.047 42.674 1.00 0.00 H ATOM 1433 H LYS A 151 1.924 25.083 41.928 1.00 0.00 H ATOM 1434 N PRO A 152 3.237 21.464 44.192 1.00 14.98 N ATOM 1435 CA PRO A 152 4.585 21.067 43.805 1.00 14.98 C ATOM 1436 C PRO A 152 4.780 20.621 42.362 1.00 15.45 C ATOM 1437 O PRO A 152 5.917 20.356 41.988 1.00 16.83 O ATOM 1438 CB PRO A 152 4.877 19.886 44.748 1.00 14.96 C ATOM 1439 CG PRO A 152 3.534 19.294 44.980 1.00 15.51 C ATOM 1440 CD PRO A 152 2.598 20.450 45.052 1.00 14.86 C ATOM 1441 N SER A 153 3.721 20.595 41.550 1.00 15.60 N ATOM 1442 CA SER A 153 3.914 20.322 40.116 1.00 17.03 C ATOM 1443 C SER A 153 4.869 21.343 39.537 1.00 16.20 C ATOM 1444 O SER A 153 4.784 22.532 39.871 1.00 16.46 O ATOM 1445 CB SER A 153 2.613 20.413 39.324 1.00 16.85 C ATOM 1446 OG SER A 153 2.902 20.502 37.930 1.00 20.57 O ATOM 1447 HG SER A 153 3.403 19.697 37.646 1.00 0.00 H ATOM 1448 H SER A 153 2.767 20.766 41.927 1.00 0.00 H ATOM 1449 N PRO A 154 5.769 20.920 38.641 1.00 16.34 N ATOM 1450 CA PRO A 154 6.728 21.833 38.053 1.00 16.78 C ATOM 1451 C PRO A 154 6.139 22.650 36.896 1.00 15.78 C ATOM 1452 O PRO A 154 6.855 23.450 36.322 1.00 15.62 O ATOM 1453 CB PRO A 154 7.820 20.879 37.542 1.00 16.93 C ATOM 1454 CG PRO A 154 7.055 19.657 37.182 1.00 16.79 C ATOM 1455 CD PRO A 154 6.009 19.508 38.234 1.00 16.97 C ATOM 1456 N ASP A 155 4.860 22.458 36.579 1.00 15.38 N ATOM 1457 CA ASP A 155 4.301 23.048 35.361 1.00 16.03 C ATOM 1458 C ASP A 155 4.436 24.546 35.262 1.00 14.19 C ATOM 1459 O ASP A 155 4.725 25.068 34.199 1.00 14.87 O ATOM 1460 CB ASP A 155 2.870 22.596 35.129 1.00 17.60 C ATOM 1461 CG ASP A 155 2.826 21.136 34.702 1.00 21.79 C ATOM 1462 OD1 ASP A 155 3.937 20.585 34.452 1.00 24.40 O ATOM 1463 OD2 ASP A 155 1.728 20.556 34.597 1.00 28.08 O ATOM 1464 H ASP A 155 4.254 21.885 37.201 1.00 0.00 H ATOM 1465 N ILE A 156 4.266 25.246 36.379 1.00 13.70 N ATOM 1466 CA ILE A 156 4.347 26.711 36.330 1.00 13.13 C ATOM 1467 C ILE A 156 5.775 27.195 36.009 1.00 14.22 C ATOM 1468 O ILE A 156 5.961 28.178 35.283 1.00 14.21 O ATOM 1469 CB ILE A 156 3.770 27.338 37.624 1.00 12.06 C ATOM 1470 CG1 ILE A 156 3.450 28.831 37.418 1.00 14.12 C ATOM 1471 CG2 ILE A 156 4.735 27.116 38.789 1.00 14.23 C ATOM 1472 CD1 ILE A 156 2.245 29.060 36.503 1.00 15.16 C ATOM 1473 H ILE A 156 4.077 24.761 37.279 1.00 0.00 H ATOM 1474 N TYR A 157 6.787 26.486 36.528 1.00 14.88 N ATOM 1475 CA TYR A 157 8.177 26.771 36.178 1.00 14.77 C ATOM 1476 C TYR A 157 8.503 26.429 34.731 1.00 15.70 C ATOM 1477 O TYR A 157 9.231 27.176 34.043 1.00 16.03 O ATOM 1478 CB TYR A 157 9.093 26.045 37.158 1.00 15.01 C ATOM 1479 CG TYR A 157 9.305 26.819 38.457 1.00 14.45 C ATOM 1480 CD1 TYR A 157 10.108 27.947 38.487 1.00 15.31 C ATOM 1481 CD2 TYR A 157 8.713 26.400 39.651 1.00 15.15 C ATOM 1482 CE1 TYR A 157 10.335 28.650 39.661 1.00 15.05 C ATOM 1483 CE2 TYR A 157 8.939 27.105 40.864 1.00 15.17 C ATOM 1484 CZ TYR A 157 9.748 28.215 40.846 1.00 16.15 C ATOM 1485 OH TYR A 157 10.002 28.939 42.005 1.00 16.84 O ATOM 1486 HH TYR A 157 9.149 29.283 42.371 1.00 0.00 H ATOM 1487 H TYR A 157 6.578 25.716 37.195 1.00 0.00 H ATOM 1488 N ARG A 158 7.955 25.310 34.268 1.00 15.82 N ATOM 1489 CA ARG A 158 8.157 24.932 32.865 1.00 15.75 C ATOM 1490 C ARG A 158 7.537 25.960 31.903 1.00 15.71 C ATOM 1491 O ARG A 158 8.112 26.261 30.858 1.00 16.09 O ATOM 1492 CB ARG A 158 7.622 23.530 32.610 1.00 15.87 C ATOM 1493 CG ARG A 158 8.456 22.476 33.324 1.00 15.87 C ATOM 1494 CD ARG A 158 7.873 21.122 33.093 1.00 17.34 C ATOM 1495 NE ARG A 158 8.737 20.132 33.744 1.00 18.47 N ATOM 1496 CZ ARG A 158 8.395 18.863 33.947 1.00 18.61 C ATOM 1497 NH1 ARG A 158 7.213 18.428 33.563 1.00 19.64 N ATOM 1498 NH2 ARG A 158 9.250 18.046 34.550 1.00 20.57 N ATOM 1499 HE ARG A 158 9.676 20.442 34.067 1.00 0.00 H ATOM 1500 HH12 ARG A 158 6.947 17.435 33.723 1.00 0.00 H ATOM 1501 HH11 ARG A 158 6.545 19.077 33.100 1.00 0.00 H ATOM 1502 HH22 ARG A 158 8.992 17.052 34.713 1.00 0.00 H ATOM 1503 HH21 ARG A 158 10.178 18.400 34.859 1.00 0.00 H ATOM 1504 H ARG A 158 7.387 24.707 34.896 1.00 0.00 H ATOM 1505 N LEU A 159 6.381 26.495 32.277 1.00 15.45 N ATOM 1506 CA LEU A 159 5.756 27.586 31.496 1.00 15.37 C ATOM 1507 C LEU A 159 6.678 28.811 31.461 1.00 15.58 C ATOM 1508 O LEU A 159 7.003 29.356 30.391 1.00 16.12 O ATOM 1509 CB LEU A 159 4.386 27.942 32.097 1.00 15.37 C ATOM 1510 CG LEU A 159 3.733 29.251 31.607 1.00 15.65 C ATOM 1511 CD1 LEU A 159 3.519 29.232 30.116 1.00 18.15 C ATOM 1512 CD2 LEU A 159 2.419 29.448 32.314 1.00 17.52 C ATOM 1513 H LEU A 159 5.907 26.142 33.133 1.00 0.00 H ATOM 1514 N ALA A 160 7.141 29.233 32.630 1.00 15.74 N ATOM 1515 CA ALA A 160 8.005 30.399 32.690 1.00 16.37 C ATOM 1516 C ALA A 160 9.277 30.207 31.844 1.00 16.95 C ATOM 1517 O ALA A 160 9.675 31.122 31.122 1.00 17.27 O ATOM 1518 CB ALA A 160 8.358 30.692 34.146 1.00 15.94 C ATOM 1519 H ALA A 160 6.886 28.729 33.503 1.00 0.00 H ATOM 1520 N LEU A 161 9.919 29.038 31.968 1.00 17.41 N ATOM 1521 CA LEU A 161 11.152 28.741 31.210 1.00 17.89 C ATOM 1522 C LEU A 161 10.903 28.714 29.713 1.00 18.85 C ATOM 1523 O LEU A 161 11.749 29.207 28.938 1.00 19.30 O ATOM 1524 CB LEU A 161 11.722 27.398 31.648 1.00 17.22 C ATOM 1525 CG LEU A 161 12.408 27.473 33.014 1.00 17.44 C ATOM 1526 CD1 LEU A 161 12.701 26.037 33.497 1.00 18.14 C ATOM 1527 CD2 LEU A 161 13.681 28.335 32.972 1.00 19.60 C ATOM 1528 H LEU A 161 9.539 28.319 32.616 1.00 0.00 H ATOM 1529 N ARG A 162 9.762 28.158 29.305 1.00 18.58 N ATOM 1530 CA ARG A 162 9.429 28.147 27.856 1.00 20.29 C ATOM 1531 C ARG A 162 9.313 29.573 27.317 1.00 20.32 C ATOM 1532 O ARG A 162 9.815 29.889 26.229 1.00 20.40 O ATOM 1533 CB ARG A 162 8.167 27.344 27.557 1.00 21.12 C ATOM 1534 CG ARG A 162 7.911 27.099 26.061 1.00 22.25 C ATOM 1535 CD ARG A 162 6.522 26.468 25.802 1.00 23.89 C ATOM 1536 NE ARG A 162 6.248 25.381 26.728 1.00 26.08 N ATOM 1537 CZ ARG A 162 5.323 25.381 27.680 1.00 24.75 C ATOM 1538 NH1 ARG A 162 5.227 24.322 28.467 1.00 24.23 N ATOM 1539 NH2 ARG A 162 4.499 26.401 27.860 1.00 22.37 N ATOM 1540 HE ARG A 162 6.831 24.524 26.636 1.00 0.00 H ATOM 1541 HH12 ARG A 162 4.511 24.297 29.220 1.00 0.00 H ATOM 1542 HH11 ARG A 162 5.868 23.514 28.332 1.00 0.00 H ATOM 1543 HH22 ARG A 162 3.786 26.366 28.616 1.00 0.00 H ATOM 1544 HH21 ARG A 162 4.564 27.237 27.245 1.00 0.00 H ATOM 1545 H ARG A 162 9.109 27.735 29.995 1.00 0.00 H ATOM 1546 N GLU A 163 8.678 30.446 28.095 1.00 20.14 N ATOM 1547 CA GLU A 163 8.504 31.841 27.673 1.00 21.45 C ATOM 1548 C GLU A 163 9.813 32.625 27.747 1.00 21.81 C ATOM 1549 O GLU A 163 10.056 33.503 26.909 1.00 23.05 O ATOM 1550 CB GLU A 163 7.430 32.490 28.517 1.00 20.60 C ATOM 1551 CG GLU A 163 6.057 31.898 28.176 1.00 23.50 C ATOM 1552 CD GLU A 163 4.925 32.578 28.855 1.00 29.01 C ATOM 1553 OE1 GLU A 163 4.114 33.187 28.129 1.00 33.00 O ATOM 1554 OE2 GLU A 163 4.834 32.504 30.100 1.00 31.00 O ATOM 1555 H GLU A 163 8.300 30.136 29.013 1.00 0.00 H ATOM 1556 N LEU A 164 10.670 32.313 28.722 1.00 21.82 N ATOM 1557 CA LEU A 164 11.993 32.951 28.794 1.00 23.22 C ATOM 1558 C LEU A 164 12.957 32.516 27.688 1.00 24.88 C ATOM 1559 O LEU A 164 13.886 33.267 27.352 1.00 25.67 O ATOM 1560 CB LEU A 164 12.657 32.699 30.146 1.00 23.10 C ATOM 1561 CG LEU A 164 12.104 33.418 31.386 1.00 22.34 C ATOM 1562 CD1 LEU A 164 12.591 32.707 32.625 1.00 22.18 C ATOM 1563 CD2 LEU A 164 12.523 34.901 31.425 1.00 23.80 C ATOM 1564 H LEU A 164 10.399 31.610 29.439 1.00 0.00 H ATOM 1565 N ASP A 165 12.751 31.306 27.172 1.00 25.44 N ATOM 1566 CA ASP A 165 13.711 30.630 26.288 1.00 27.18 C ATOM 1567 C ASP A 165 15.124 30.630 26.881 1.00 27.51 C ATOM 1568 O ASP A 165 16.115 31.033 26.253 1.00 27.91 O ATOM 1569 CB ASP A 165 13.683 31.219 24.880 1.00 27.87 C ATOM 1570 CG ASP A 165 14.425 30.360 23.896 1.00 31.00 C ATOM 1571 OD1 ASP A 165 14.245 29.113 23.917 1.00 34.57 O ATOM 1572 OD2 ASP A 165 15.189 30.933 23.109 1.00 34.33 O ATOM 1573 H ASP A 165 11.865 30.814 27.407 1.00 0.00 H ATOM 1574 N VAL A 166 15.189 30.184 28.126 1.00 26.31 N ATOM 1575 CA VAL A 166 16.436 30.010 28.841 1.00 26.69 C ATOM 1576 C VAL A 166 16.406 28.561 29.341 1.00 25.97 C ATOM 1577 O VAL A 166 15.411 28.137 29.955 1.00 26.36 O ATOM 1578 CB VAL A 166 16.549 31.041 30.016 1.00 26.80 C ATOM 1579 CG1 VAL A 166 17.743 30.754 30.921 1.00 28.21 C ATOM 1580 CG2 VAL A 166 16.631 32.482 29.483 1.00 27.94 C ATOM 1581 H VAL A 166 14.302 29.947 28.614 1.00 0.00 H ATOM 1582 N PRO A 167 17.479 27.784 29.072 1.00 25.61 N ATOM 1583 CA PRO A 167 17.558 26.432 29.621 1.00 24.81 C ATOM 1584 C PRO A 167 17.656 26.515 31.147 1.00 24.26 C ATOM 1585 O PRO A 167 18.239 27.487 31.674 1.00 23.68 O ATOM 1586 CB PRO A 167 18.855 25.877 29.023 1.00 24.41 C ATOM 1587 CG PRO A 167 19.646 27.051 28.677 1.00 26.05 C ATOM 1588 CD PRO A 167 18.675 28.117 28.279 1.00 25.50 C ATOM 1589 N PRO A 168 17.092 25.520 31.855 1.00 23.70 N ATOM 1590 CA PRO A 168 17.086 25.584 33.326 1.00 23.83 C ATOM 1591 C PRO A 168 18.494 25.698 33.920 1.00 23.79 C ATOM 1592 O PRO A 168 18.672 26.352 34.939 1.00 22.46 O ATOM 1593 CB PRO A 168 16.420 24.262 33.748 1.00 23.84 C ATOM 1594 CG PRO A 168 16.465 23.393 32.553 1.00 24.28 C ATOM 1595 CD PRO A 168 16.447 24.291 31.363 1.00 24.29 C ATOM 1596 N GLU A 169 19.496 25.106 33.256 1.00 24.65 N ATOM 1597 CA GLU A 169 20.860 25.140 33.797 1.00 25.14 C ATOM 1598 C GLU A 169 21.494 26.540 33.763 1.00 24.73 C ATOM 1599 O GLU A 169 22.531 26.777 34.403 1.00 25.43 O ATOM 1600 CB GLU A 169 21.739 24.075 33.122 1.00 26.36 C ATOM 1601 CG GLU A 169 22.068 24.368 31.688 1.00 28.94 C ATOM 1602 CD GLU A 169 21.060 23.815 30.677 1.00 33.16 C ATOM 1603 OE1 GLU A 169 19.940 23.360 31.049 1.00 31.21 O ATOM 1604 OE2 GLU A 169 21.421 23.842 29.475 1.00 35.85 O ATOM 1605 H GLU A 169 19.307 24.621 32.355 1.00 0.00 H ATOM 1606 N ARG A 170 20.862 27.477 33.050 1.00 24.01 N ATOM 1607 CA ARG A 170 21.309 28.870 33.039 1.00 24.03 C ATOM 1608 C ARG A 170 20.362 29.787 33.800 1.00 22.48 C ATOM 1609 O ARG A 170 20.340 31.006 33.602 1.00 22.19 O ATOM 1610 CB ARG A 170 21.533 29.359 31.606 1.00 25.34 C ATOM 1611 CG ARG A 170 22.496 28.458 30.843 1.00 29.11 C ATOM 1612 CD ARG A 170 22.924 29.044 29.539 1.00 34.19 C ATOM 1613 NE ARG A 170 23.939 28.205 28.905 1.00 37.55 N ATOM 1614 CZ ARG A 170 24.929 28.674 28.155 1.00 39.09 C ATOM 1615 NH1 ARG A 170 25.051 29.987 27.966 1.00 39.19 N ATOM 1616 NH2 ARG A 170 25.811 27.835 27.616 1.00 39.58 N ATOM 1617 HE ARG A 170 23.882 27.177 29.050 1.00 0.00 H ATOM 1618 HH12 ARG A 170 25.825 30.358 27.379 1.00 0.00 H ATOM 1619 HH11 ARG A 170 24.372 30.641 28.405 1.00 0.00 H ATOM 1620 HH22 ARG A 170 26.586 28.203 27.028 1.00 0.00 H ATOM 1621 HH21 ARG A 170 25.725 26.812 27.782 1.00 0.00 H ATOM 1622 H ARG A 170 20.029 27.209 32.487 1.00 0.00 H ATOM 1623 N ALA A 171 19.560 29.183 34.671 1.00 21.39 N ATOM 1624 CA ALA A 171 18.594 29.942 35.455 1.00 20.26 C ATOM 1625 C ALA A 171 18.610 29.476 36.906 1.00 20.05 C ATOM 1626 O ALA A 171 19.243 28.481 37.240 1.00 19.95 O ATOM 1627 CB ALA A 171 17.184 29.816 34.841 1.00 20.44 C ATOM 1628 H ALA A 171 19.623 28.152 34.795 1.00 0.00 H ATOM 1629 N VAL A 172 17.883 30.187 37.769 1.00 19.46 N ATOM 1630 CA VAL A 172 17.820 29.822 39.193 1.00 18.88 C ATOM 1631 C VAL A 172 16.466 30.304 39.694 1.00 17.48 C ATOM 1632 O VAL A 172 15.953 31.314 39.208 1.00 18.02 O ATOM 1633 CB VAL A 172 18.996 30.455 40.000 1.00 19.23 C ATOM 1634 CG1 VAL A 172 18.994 31.961 39.897 1.00 20.52 C ATOM 1635 CG2 VAL A 172 19.021 29.991 41.454 1.00 19.68 C ATOM 1636 H VAL A 172 17.351 31.014 37.430 1.00 0.00 H ATOM 1637 N ALA A 173 15.928 29.570 40.657 1.00 16.75 N ATOM 1638 CA ALA A 173 14.656 29.947 41.298 1.00 16.84 C ATOM 1639 C ALA A 173 14.903 30.368 42.741 1.00 16.44 C ATOM 1640 O ALA A 173 15.747 29.785 43.414 1.00 16.09 O ATOM 1641 CB ALA A 173 13.700 28.766 41.278 1.00 17.42 C ATOM 1642 H ALA A 173 16.416 28.706 40.968 1.00 0.00 H ATOM 1643 N LEU A 174 14.136 31.358 43.204 1.00 15.87 N ATOM 1644 CA LEU A 174 14.079 31.756 44.618 1.00 14.75 C ATOM 1645 C LEU A 174 12.694 31.369 45.152 1.00 13.85 C ATOM 1646 O LEU A 174 11.658 31.685 44.530 1.00 15.02 O ATOM 1647 CB LEU A 174 14.268 33.266 44.767 1.00 15.30 C ATOM 1648 CG LEU A 174 15.737 33.715 44.860 1.00 16.60 C ATOM 1649 CD1 LEU A 174 16.522 33.388 43.591 1.00 19.67 C ATOM 1650 CD2 LEU A 174 15.783 35.237 45.157 1.00 17.01 C ATOM 1651 H LEU A 174 13.544 31.878 42.525 1.00 0.00 H ATOM 1652 N GLU A 175 12.687 30.671 46.274 1.00 14.01 N ATOM 1653 CA GLU A 175 11.465 30.103 46.866 1.00 13.77 C ATOM 1654 C GLU A 175 11.483 30.251 48.366 1.00 13.23 C ATOM 1655 O GLU A 175 12.546 30.489 48.976 1.00 13.90 O ATOM 1656 CB GLU A 175 11.348 28.614 46.517 1.00 13.30 C ATOM 1657 CG GLU A 175 10.708 28.389 45.173 1.00 13.69 C ATOM 1658 CD GLU A 175 9.206 28.558 45.212 1.00 11.61 C ATOM 1659 OE1 GLU A 175 8.664 28.884 46.289 1.00 13.82 O ATOM 1660 OE2 GLU A 175 8.572 28.434 44.132 1.00 14.49 O ATOM 1661 H GLU A 175 13.591 30.515 46.764 1.00 0.00 H ATOM 1662 N ASP A 176 10.313 30.079 48.969 1.00 13.10 N ATOM 1663 CA ASP A 176 10.158 30.124 50.418 1.00 13.89 C ATOM 1664 C ASP A 176 9.580 28.877 51.037 1.00 14.02 C ATOM 1665 O ASP A 176 9.589 28.740 52.250 1.00 14.49 O ATOM 1666 CB ASP A 176 9.257 31.302 50.842 1.00 14.20 C ATOM 1667 CG ASP A 176 7.787 31.059 50.454 1.00 14.16 C ATOM 1668 OD1 ASP A 176 7.515 30.853 49.244 1.00 15.09 O ATOM 1669 OD2 ASP A 176 6.908 31.021 51.348 1.00 16.22 O ATOM 1670 H ASP A 176 9.472 29.905 48.383 1.00 0.00 H ATOM 1671 N SER A 177 9.017 27.998 50.212 1.00 14.16 N ATOM 1672 CA SER A 177 8.251 26.869 50.708 1.00 13.47 C ATOM 1673 C SER A 177 8.695 25.531 50.115 1.00 13.15 C ATOM 1674 O SER A 177 9.326 25.484 49.073 1.00 13.53 O ATOM 1675 CB SER A 177 6.744 27.069 50.445 1.00 13.82 C ATOM 1676 OG SER A 177 6.451 26.920 49.059 1.00 14.92 O ATOM 1677 HG SER A 177 5.481 27.052 48.912 1.00 0.00 H ATOM 1678 H SER A 177 9.129 28.123 49.186 1.00 0.00 H ATOM 1679 N LEU A 178 8.341 24.449 50.803 1.00 13.69 N ATOM 1680 CA LEU A 178 8.719 23.133 50.293 1.00 14.12 C ATOM 1681 C LEU A 178 8.034 22.790 48.977 1.00 13.76 C ATOM 1682 O LEU A 178 8.703 22.282 48.057 1.00 14.89 O ATOM 1683 CB LEU A 178 8.473 22.046 51.322 1.00 14.19 C ATOM 1684 CG LEU A 178 8.801 20.607 50.886 1.00 15.25 C ATOM 1685 CD1 LEU A 178 10.267 20.496 50.395 1.00 17.67 C ATOM 1686 CD2 LEU A 178 8.502 19.713 52.088 1.00 19.54 C ATOM 1687 H LEU A 178 7.804 24.538 51.689 1.00 0.00 H ATOM 1688 N ASN A 179 6.734 23.057 48.864 1.00 14.96 N ATOM 1689 CA ASN A 179 6.094 22.818 47.572 1.00 14.42 C ATOM 1690 C ASN A 179 6.724 23.652 46.462 1.00 15.01 C ATOM 1691 O ASN A 179 6.821 23.192 45.316 1.00 14.32 O ATOM 1692 CB ASN A 179 4.568 22.907 47.661 1.00 15.75 C ATOM 1693 CG ASN A 179 3.994 21.654 48.296 1.00 15.98 C ATOM 1694 OD1 ASN A 179 4.601 20.570 48.192 1.00 20.52 O ATOM 1695 ND2 ASN A 179 2.886 21.777 48.981 1.00 19.96 N ATOM 1696 HD22 ASN A 179 2.412 22.701 49.042 1.00 0.00 H ATOM 1697 HD21 ASN A 179 2.479 20.951 49.465 1.00 0.00 H ATOM 1698 H ASN A 179 6.191 23.425 49.671 1.00 0.00 H ATOM 1699 N GLY A 180 7.190 24.853 46.797 1.00 14.24 N ATOM 1700 CA GLY A 180 7.896 25.676 45.817 1.00 14.58 C ATOM 1701 C GLY A 180 9.237 25.092 45.386 1.00 14.67 C ATOM 1702 O GLY A 180 9.561 25.037 44.181 1.00 14.76 O ATOM 1703 H GLY A 180 7.051 25.209 47.764 1.00 0.00 H ATOM 1704 N LEU A 181 10.011 24.627 46.379 1.00 14.38 N ATOM 1705 CA LEU A 181 11.284 23.958 46.090 1.00 14.53 C ATOM 1706 C LEU A 181 11.058 22.712 45.229 1.00 14.20 C ATOM 1707 O LEU A 181 11.778 22.494 44.247 1.00 15.37 O ATOM 1708 CB LEU A 181 11.938 23.577 47.422 1.00 14.68 C ATOM 1709 CG LEU A 181 13.138 22.621 47.352 1.00 14.39 C ATOM 1710 CD1 LEU A 181 14.287 23.283 46.610 1.00 16.29 C ATOM 1711 CD2 LEU A 181 13.553 22.208 48.772 1.00 17.42 C ATOM 1712 H LEU A 181 9.704 24.742 47.366 1.00 0.00 H ATOM 1713 N ARG A 182 10.033 21.921 45.581 1.00 14.19 N ATOM 1714 CA ARG A 182 9.728 20.708 44.801 1.00 15.16 C ATOM 1715 C ARG A 182 9.418 21.081 43.348 1.00 15.96 C ATOM 1716 O ARG A 182 9.910 20.436 42.417 1.00 15.48 O ATOM 1717 CB ARG A 182 8.535 19.977 45.404 1.00 16.55 C ATOM 1718 CG ARG A 182 8.868 19.175 46.667 1.00 18.72 C ATOM 1719 CD ARG A 182 7.640 18.548 47.302 1.00 22.06 C ATOM 1720 NE ARG A 182 7.976 17.550 48.323 1.00 25.47 N ATOM 1721 CZ ARG A 182 7.303 17.413 49.461 1.00 25.20 C ATOM 1722 NH1 ARG A 182 6.279 18.219 49.745 1.00 26.54 N ATOM 1723 NH2 ARG A 182 7.657 16.477 50.331 1.00 26.29 N ATOM 1724 HE ARG A 182 8.782 16.917 48.148 1.00 0.00 H ATOM 1725 HH12 ARG A 182 5.759 18.104 50.638 1.00 0.00 H ATOM 1726 HH11 ARG A 182 6.001 18.963 49.073 1.00 0.00 H ATOM 1727 HH22 ARG A 182 7.131 16.369 51.222 1.00 0.00 H ATOM 1728 HH21 ARG A 182 8.461 15.851 50.123 1.00 0.00 H ATOM 1729 H ARG A 182 9.451 22.165 46.408 1.00 0.00 H ATOM 1730 N ALA A 183 8.607 22.124 43.154 1.00 15.01 N ATOM 1731 CA ALA A 183 8.259 22.563 41.803 1.00 15.35 C ATOM 1732 C ALA A 183 9.478 23.031 41.012 1.00 15.41 C ATOM 1733 O ALA A 183 9.640 22.643 39.849 1.00 16.27 O ATOM 1734 CB ALA A 183 7.226 23.688 41.883 1.00 15.76 C ATOM 1735 H ALA A 183 8.218 22.631 43.974 1.00 0.00 H ATOM 1736 N ALA A 184 10.351 23.828 41.638 1.00 15.26 N ATOM 1737 CA ALA A 184 11.510 24.378 40.935 1.00 15.19 C ATOM 1738 C ALA A 184 12.456 23.235 40.557 1.00 16.51 C ATOM 1739 O ALA A 184 12.942 23.151 39.421 1.00 17.34 O ATOM 1740 CB ALA A 184 12.227 25.413 41.813 1.00 16.03 C ATOM 1741 H ALA A 184 10.203 24.060 42.641 1.00 0.00 H ATOM 1742 N LYS A 185 12.662 22.313 41.491 1.00 16.58 N ATOM 1743 CA LYS A 185 13.526 21.154 41.232 1.00 18.45 C ATOM 1744 C LYS A 185 12.950 20.247 40.163 1.00 17.99 C ATOM 1745 O LYS A 185 13.694 19.662 39.359 1.00 19.51 O ATOM 1746 CB LYS A 185 13.775 20.375 42.534 1.00 18.03 C ATOM 1747 CG LYS A 185 14.752 21.063 43.477 1.00 20.14 C ATOM 1748 CD LYS A 185 16.191 20.789 43.003 1.00 24.68 C ATOM 1749 CE LYS A 185 17.121 21.892 43.413 1.00 27.41 C ATOM 1750 NZ LYS A 185 18.481 21.522 42.932 1.00 29.02 N ATOM 1751 HZ1 LYS A 185 18.767 20.621 43.365 1.00 0.00 H ATOM 1752 HZ2 LYS A 185 18.466 21.421 41.897 1.00 0.00 H ATOM 1753 HZ3 LYS A 185 19.156 22.267 43.199 1.00 0.00 H ATOM 1754 H LYS A 185 12.205 22.413 42.420 1.00 0.00 H ATOM 1755 N GLY A 186 11.627 20.138 40.125 1.00 17.61 N ATOM 1756 CA GLY A 186 10.965 19.333 39.101 1.00 17.08 C ATOM 1757 C GLY A 186 11.115 19.881 37.697 1.00 18.16 C ATOM 1758 O GLY A 186 10.995 19.142 36.722 1.00 19.26 O ATOM 1759 H GLY A 186 11.052 20.634 40.836 1.00 0.00 H ATOM 1760 N ALA A 187 11.380 21.181 37.597 1.00 18.54 N ATOM 1761 CA ALA A 187 11.691 21.826 36.326 1.00 19.21 C ATOM 1762 C ALA A 187 13.193 21.881 36.057 1.00 19.79 C ATOM 1763 O ALA A 187 13.652 22.579 35.139 1.00 20.42 O ATOM 1764 CB ALA A 187 11.109 23.250 36.296 1.00 19.36 C ATOM 1765 H ALA A 187 11.365 21.761 38.460 1.00 0.00 H ATOM 1766 N GLY A 188 13.972 21.178 36.871 1.00 19.28 N ATOM 1767 CA GLY A 188 15.434 21.131 36.672 1.00 19.75 C ATOM 1768 C GLY A 188 16.229 22.366 37.069 1.00 20.09 C ATOM 1769 O GLY A 188 17.362 22.584 36.614 1.00 20.97 O ATOM 1770 H GLY A 188 13.546 20.653 37.661 1.00 0.00 H ATOM 1771 N LEU A 189 15.663 23.181 37.949 1.00 18.87 N ATOM 1772 CA LEU A 189 16.282 24.425 38.339 1.00 19.27 C ATOM 1773 C LEU A 189 17.037 24.306 39.658 1.00 19.42 C ATOM 1774 O LEU A 189 16.567 23.645 40.585 1.00 20.78 O ATOM 1775 CB LEU A 189 15.197 25.482 38.540 1.00 19.30 C ATOM 1776 CG LEU A 189 14.576 26.003 37.246 1.00 19.02 C ATOM 1777 CD1 LEU A 189 13.209 26.640 37.518 1.00 18.86 C ATOM 1778 CD2 LEU A 189 15.525 26.984 36.566 1.00 19.30 C ATOM 1779 H LEU A 189 14.749 22.917 38.369 1.00 0.00 H ATOM 1780 N ARG A 190 18.178 24.975 39.725 1.00 19.27 N ATOM 1781 CA ARG A 190 18.824 25.298 41.016 1.00 19.42 C ATOM 1782 C ARG A 190 17.807 26.135 41.804 1.00 18.54 C ATOM 1783 O ARG A 190 17.079 26.941 41.207 1.00 17.72 O ATOM 1784 CB ARG A 190 20.119 26.088 40.808 1.00 20.66 C ATOM 1785 CG ARG A 190 21.348 25.253 40.347 1.00 24.98 C ATOM 1786 CD ARG A 190 22.467 26.183 39.855 1.00 27.23 C ATOM 1787 NE ARG A 190 22.053 26.931 38.664 1.00 28.14 N ATOM 1788 CZ ARG A 190 22.728 27.939 38.105 1.00 28.80 C ATOM 1789 NH1 ARG A 190 23.890 28.359 38.606 1.00 31.37 N ATOM 1790 NH2 ARG A 190 22.234 28.542 37.036 1.00 28.10 N ATOM 1791 HE ARG A 190 21.157 26.653 38.216 1.00 0.00 H ATOM 1792 HH12 ARG A 190 24.397 29.146 38.153 1.00 0.00 H ATOM 1793 HH11 ARG A 190 24.289 27.900 39.449 1.00 0.00 H ATOM 1794 HH22 ARG A 190 22.754 29.328 36.595 1.00 0.00 H ATOM 1795 HH21 ARG A 190 21.326 28.230 36.636 1.00 0.00 H ATOM 1796 H ARG A 190 18.634 25.283 38.842 1.00 0.00 H ATOM 1797 N CYS A 191 17.753 25.949 43.125 1.00 18.07 N ATOM 1798 CA CYS A 191 16.756 26.661 43.920 1.00 16.94 C ATOM 1799 C CYS A 191 17.363 27.123 45.240 1.00 16.04 C ATOM 1800 O CYS A 191 17.924 26.325 45.995 1.00 16.61 O ATOM 1801 CB CYS A 191 15.541 25.761 44.163 1.00 16.61 C ATOM 1802 SG CYS A 191 14.156 26.591 45.039 1.00 16.52 S ATOM 1803 H CYS A 191 18.420 25.298 43.587 1.00 0.00 H ATOM 1804 N ILE A 192 17.195 28.415 45.497 1.00 16.54 N ATOM 1805 CA ILE A 192 17.627 29.060 46.727 1.00 16.45 C ATOM 1806 C ILE A 192 16.367 29.265 47.562 1.00 16.00 C ATOM 1807 O ILE A 192 15.446 29.910 47.088 1.00 16.24 O ATOM 1808 CB ILE A 192 18.318 30.392 46.427 1.00 18.06 C ATOM 1809 CG1 ILE A 192 19.628 30.122 45.658 1.00 21.60 C ATOM 1810 CG2 ILE A 192 18.619 31.104 47.739 1.00 17.99 C ATOM 1811 CD1 ILE A 192 20.166 31.299 44.879 1.00 26.65 C ATOM 1812 H ILE A 192 16.727 29.000 44.776 1.00 0.00 H ATOM 1813 N VAL A 193 16.342 28.704 48.771 1.00 16.07 N ATOM 1814 CA VAL A 193 15.181 28.799 49.657 1.00 15.82 C ATOM 1815 C VAL A 193 15.473 29.713 50.834 1.00 16.07 C ATOM 1816 O VAL A 193 16.477 29.525 51.496 1.00 16.74 O ATOM 1817 CB VAL A 193 14.773 27.417 50.198 1.00 15.85 C ATOM 1818 CG1 VAL A 193 13.628 27.557 51.209 1.00 16.73 C ATOM 1819 CG2 VAL A 193 14.313 26.515 49.040 1.00 16.25 C ATOM 1820 H VAL A 193 17.179 28.179 49.097 1.00 0.00 H ATOM 1821 N SER A 194 14.596 30.687 51.080 1.00 14.70 N ATOM 1822 CA SER A 194 14.597 31.382 52.379 1.00 16.24 C ATOM 1823 C SER A 194 13.191 31.359 52.944 1.00 15.83 C ATOM 1824 O SER A 194 12.294 31.997 52.387 1.00 16.09 O ATOM 1825 CB SER A 194 15.082 32.824 52.261 1.00 16.56 C ATOM 1826 OG SER A 194 15.150 33.400 53.570 1.00 16.39 O ATOM 1827 HG SER A 194 15.782 32.879 54.126 1.00 0.00 H ATOM 1828 H SER A 194 13.907 30.958 50.350 1.00 0.00 H ATOM 1829 N PRO A 195 12.980 30.603 54.027 1.00 16.27 N ATOM 1830 CA PRO A 195 11.604 30.462 54.501 1.00 16.86 C ATOM 1831 C PRO A 195 11.111 31.677 55.280 1.00 18.11 C ATOM 1832 O PRO A 195 11.835 32.659 55.489 1.00 17.51 O ATOM 1833 CB PRO A 195 11.676 29.256 55.428 1.00 17.14 C ATOM 1834 CG PRO A 195 13.059 29.254 55.931 1.00 18.32 C ATOM 1835 CD PRO A 195 13.933 29.802 54.827 1.00 16.86 C ATOM 1836 N GLY A 196 9.847 31.602 55.678 1.00 19.00 N ATOM 1837 CA GLY A 196 9.263 32.584 56.586 1.00 20.74 C ATOM 1838 C GLY A 196 8.443 31.955 57.676 1.00 19.92 C ATOM 1839 O GLY A 196 8.541 30.761 57.939 1.00 19.90 O ATOM 1840 H GLY A 196 9.255 30.820 55.332 1.00 0.00 H ATOM 1841 N PHE A 197 7.622 32.790 58.326 1.00 21.43 N ATOM 1842 CA PHE A 197 6.816 32.380 59.466 1.00 22.98 C ATOM 1843 C PHE A 197 6.130 31.040 59.247 1.00 20.85 C ATOM 1844 O PHE A 197 6.198 30.134 60.082 1.00 21.48 O ATOM 1845 CB PHE A 197 5.767 33.488 59.791 1.00 23.97 C ATOM 1846 CG PHE A 197 4.825 33.130 60.904 1.00 27.75 C ATOM 1847 CD1 PHE A 197 5.284 32.997 62.212 1.00 28.93 C ATOM 1848 CD2 PHE A 197 3.473 32.915 60.640 1.00 29.53 C ATOM 1849 CE1 PHE A 197 4.415 32.662 63.247 1.00 31.03 C ATOM 1850 CE2 PHE A 197 2.584 32.570 61.662 1.00 33.16 C ATOM 1851 CZ PHE A 197 3.056 32.444 62.977 1.00 32.35 C ATOM 1852 H PHE A 197 7.558 33.776 58.001 1.00 0.00 H ATOM 1853 N TYR A 198 5.472 30.901 58.099 1.00 19.95 N ATOM 1854 CA TYR A 198 4.612 29.769 57.912 1.00 19.41 C ATOM 1855 C TYR A 198 5.320 28.521 57.378 1.00 19.04 C ATOM 1856 O TYR A 198 4.730 27.433 57.364 1.00 20.43 O ATOM 1857 CB TYR A 198 3.451 30.147 56.992 1.00 18.80 C ATOM 1858 CG TYR A 198 2.271 30.844 57.653 1.00 17.47 C ATOM 1859 CD1 TYR A 198 1.477 30.156 58.558 1.00 18.01 C ATOM 1860 CD2 TYR A 198 1.897 32.142 57.283 1.00 18.05 C ATOM 1861 CE1 TYR A 198 0.352 30.774 59.137 1.00 17.61 C ATOM 1862 CE2 TYR A 198 0.785 32.768 57.854 1.00 18.46 C ATOM 1863 CZ TYR A 198 0.032 32.072 58.754 1.00 17.80 C ATOM 1864 OH TYR A 198 -1.063 32.692 59.288 1.00 17.15 O ATOM 1865 HH TYR A 198 -0.777 33.509 59.768 1.00 0.00 H ATOM 1866 H TYR A 198 5.581 31.608 57.344 1.00 0.00 H ATOM 1867 N THR A 199 6.583 28.669 56.941 1.00 18.19 N ATOM 1868 CA THR A 199 7.266 27.558 56.277 1.00 17.94 C ATOM 1869 C THR A 199 8.580 27.143 56.934 1.00 18.62 C ATOM 1870 O THR A 199 9.179 26.161 56.517 1.00 18.86 O ATOM 1871 CB THR A 199 7.561 27.866 54.775 1.00 17.23 C ATOM 1872 OG1 THR A 199 8.426 29.000 54.720 1.00 18.06 O ATOM 1873 CG2 THR A 199 6.273 28.149 54.014 1.00 19.01 C ATOM 1874 HG1 THR A 199 8.627 29.214 53.775 1.00 0.00 H ATOM 1875 H THR A 199 7.076 29.575 57.075 1.00 0.00 H ATOM 1876 N ARG A 200 8.993 27.856 57.986 1.00 20.62 N ATOM 1877 CA ARG A 200 10.275 27.589 58.649 1.00 22.57 C ATOM 1878 C ARG A 200 10.357 26.183 59.249 1.00 22.95 C ATOM 1879 O ARG A 200 11.456 25.630 59.390 1.00 24.58 O ATOM 1880 CB ARG A 200 10.525 28.628 59.730 1.00 23.13 C ATOM 1881 CG ARG A 200 11.987 28.762 60.054 1.00 25.92 C ATOM 1882 CD ARG A 200 12.159 29.825 61.114 1.00 26.02 C ATOM 1883 NE ARG A 200 11.619 31.139 60.734 1.00 27.51 N ATOM 1884 CZ ARG A 200 12.151 31.897 59.784 1.00 21.53 C ATOM 1885 NH1 ARG A 200 11.655 33.088 59.500 1.00 21.57 N ATOM 1886 NH2 ARG A 200 13.200 31.454 59.119 1.00 28.38 N ATOM 1887 HE ARG A 200 10.778 31.492 61.235 1.00 0.00 H ATOM 1888 HH12 ARG A 200 12.087 33.666 58.751 1.00 0.00 H ATOM 1889 HH11 ARG A 200 10.832 33.447 60.025 1.00 0.00 H ATOM 1890 HH22 ARG A 200 13.627 32.038 58.372 1.00 0.00 H ATOM 1891 HH21 ARG A 200 13.601 30.520 59.342 1.00 0.00 H ATOM 1892 H ARG A 200 8.389 28.622 58.345 1.00 0.00 H ATOM 1893 N HIS A 201 9.197 25.628 59.598 1.00 23.01 N ATOM 1894 CA HIS A 201 9.089 24.263 60.119 1.00 23.91 C ATOM 1895 C HIS A 201 9.325 23.159 59.089 1.00 23.96 C ATOM 1896 O HIS A 201 9.409 21.971 59.456 1.00 24.35 O ATOM 1897 CB HIS A 201 7.707 24.055 60.742 1.00 24.44 C ATOM 1898 CG HIS A 201 6.609 23.890 59.735 1.00 25.70 C ATOM 1899 ND1 HIS A 201 5.983 24.959 59.128 1.00 26.04 N ATOM 1900 CD2 HIS A 201 6.024 22.775 59.233 1.00 26.64 C ATOM 1901 CE1 HIS A 201 5.054 24.510 58.299 1.00 27.40 C ATOM 1902 NE2 HIS A 201 5.058 23.190 58.348 1.00 26.78 N ATOM 1903 H HIS A 201 8.328 26.190 59.496 1.00 0.00 H ATOM 1904 N GLU A 202 9.383 23.520 57.805 1.00 22.33 N ATOM 1905 CA GLU A 202 9.478 22.496 56.752 1.00 21.90 C ATOM 1906 C GLU A 202 10.907 21.985 56.572 1.00 22.88 C ATOM 1907 O GLU A 202 11.860 22.614 57.055 1.00 23.01 O ATOM 1908 CB GLU A 202 8.932 23.055 55.436 1.00 21.53 C ATOM 1909 CG GLU A 202 7.445 23.447 55.511 1.00 19.68 C ATOM 1910 CD GLU A 202 6.890 23.958 54.192 1.00 24.19 C ATOM 1911 OE1 GLU A 202 7.594 24.694 53.494 1.00 20.45 O ATOM 1912 OE2 GLU A 202 5.745 23.600 53.834 1.00 26.67 O ATOM 1913 H GLU A 202 9.361 24.528 57.548 1.00 0.00 H ATOM 1914 N GLU A 203 11.037 20.842 55.887 1.00 23.00 N ATOM 1915 CA GLU A 203 12.342 20.228 55.557 1.00 23.94 C ATOM 1916 C GLU A 203 12.732 20.625 54.150 1.00 23.26 C ATOM 1917 O GLU A 203 11.951 20.399 53.219 1.00 24.99 O ATOM 1918 CB GLU A 203 12.239 18.692 55.577 1.00 25.24 C ATOM 1919 CG GLU A 203 11.751 18.082 56.861 1.00 29.80 C ATOM 1920 CD GLU A 203 12.772 18.139 57.976 1.00 34.43 C ATOM 1921 OE1 GLU A 203 13.992 18.216 57.693 1.00 36.60 O ATOM 1922 OE2 GLU A 203 12.346 18.112 59.146 1.00 38.51 O ATOM 1923 H GLU A 203 10.173 20.359 55.569 1.00 0.00 H ATOM 1924 N PHE A 204 13.921 21.196 53.969 1.00 21.88 N ATOM 1925 CA PHE A 204 14.299 21.694 52.647 1.00 22.56 C ATOM 1926 C PHE A 204 15.396 20.865 51.968 1.00 23.60 C ATOM 1927 O PHE A 204 16.322 21.405 51.372 1.00 24.17 O ATOM 1928 CB PHE A 204 14.614 23.188 52.704 1.00 22.09 C ATOM 1929 CG PHE A 204 13.423 24.025 53.105 1.00 20.09 C ATOM 1930 CD1 PHE A 204 12.381 24.226 52.215 1.00 18.12 C ATOM 1931 CD2 PHE A 204 13.334 24.576 54.381 1.00 18.67 C ATOM 1932 CE1 PHE A 204 11.267 24.994 52.580 1.00 18.63 C ATOM 1933 CE2 PHE A 204 12.215 25.331 54.758 1.00 18.17 C ATOM 1934 CZ PHE A 204 11.192 25.547 53.840 1.00 17.10 C ATOM 1935 H PHE A 204 14.581 21.288 54.768 1.00 0.00 H ATOM 1936 N ALA A 205 15.233 19.545 52.041 1.00 25.72 N ATOM 1937 CA ALA A 205 16.193 18.612 51.439 1.00 26.99 C ATOM 1938 C ALA A 205 16.285 18.875 49.955 1.00 26.46 C ATOM 1939 O ALA A 205 15.270 18.934 49.263 1.00 27.48 O ATOM 1940 CB ALA A 205 15.776 17.159 51.710 1.00 27.24 C ATOM 1941 H ALA A 205 14.402 19.165 52.538 1.00 0.00 H ATOM 1942 N GLY A 206 17.510 19.021 49.467 1.00 27.09 N ATOM 1943 CA GLY A 206 17.733 19.272 48.050 1.00 25.55 C ATOM 1944 C GLY A 206 17.881 20.737 47.661 1.00 24.36 C ATOM 1945 O GLY A 206 18.309 21.036 46.542 1.00 24.77 O ATOM 1946 H GLY A 206 18.326 18.955 50.108 1.00 0.00 H ATOM 1947 N ALA A 207 17.548 21.671 48.556 1.00 22.70 N ATOM 1948 CA ALA A 207 17.761 23.085 48.240 1.00 21.66 C ATOM 1949 C ALA A 207 19.240 23.336 47.962 1.00 20.99 C ATOM 1950 O ALA A 207 20.104 22.801 48.664 1.00 21.41 O ATOM 1951 CB ALA A 207 17.272 23.983 49.358 1.00 20.96 C ATOM 1952 H ALA A 207 17.140 21.396 49.472 1.00 0.00 H ATOM 1953 N ASP A 208 19.529 24.144 46.952 1.00 20.21 N ATOM 1954 CA ASP A 208 20.917 24.467 46.621 1.00 21.34 C ATOM 1955 C ASP A 208 21.546 25.363 47.679 1.00 21.43 C ATOM 1956 O ASP A 208 22.731 25.239 47.987 1.00 22.14 O ATOM 1957 CB ASP A 208 21.013 25.058 45.224 1.00 21.38 C ATOM 1958 CG ASP A 208 20.658 24.053 44.168 1.00 24.39 C ATOM 1959 OD1 ASP A 208 21.593 23.400 43.645 1.00 26.82 O ATOM 1960 OD2 ASP A 208 19.466 23.866 43.881 1.00 21.49 O ATOM 1961 H ASP A 208 18.758 24.554 46.387 1.00 0.00 H ATOM 1962 N ARG A 209 20.749 26.254 48.257 1.00 20.36 N ATOM 1963 CA ARG A 209 21.148 27.034 49.428 1.00 20.59 C ATOM 1964 C ARG A 209 19.886 27.223 50.246 1.00 19.52 C ATOM 1965 O ARG A 209 18.804 27.406 49.673 1.00 18.63 O ATOM 1966 CB ARG A 209 21.696 28.416 49.037 1.00 21.59 C ATOM 1967 CG ARG A 209 23.161 28.430 48.517 1.00 24.58 C ATOM 1968 CD ARG A 209 23.876 29.783 48.825 1.00 27.81 C ATOM 1969 NE ARG A 209 24.167 29.976 50.248 1.00 31.45 N ATOM 1970 CZ ARG A 209 24.548 31.124 50.826 1.00 31.34 C ATOM 1971 NH1 ARG A 209 24.677 32.250 50.128 1.00 29.82 N ATOM 1972 NH2 ARG A 209 24.778 31.154 52.137 1.00 31.98 N ATOM 1973 HE ARG A 209 24.069 29.146 50.867 1.00 0.00 H ATOM 1974 HH12 ARG A 209 24.974 33.126 50.604 1.00 0.00 H ATOM 1975 HH11 ARG A 209 24.480 32.254 49.107 1.00 0.00 H ATOM 1976 HH22 ARG A 209 25.074 32.041 52.593 1.00 0.00 H ATOM 1977 HH21 ARG A 209 24.662 30.291 52.705 1.00 0.00 H ATOM 1978 H ARG A 209 19.800 26.404 47.860 1.00 0.00 H ATOM 1979 N LEU A 210 20.029 27.164 51.560 1.00 19.08 N ATOM 1980 CA LEU A 210 18.954 27.467 52.502 1.00 18.94 C ATOM 1981 C LEU A 210 19.437 28.640 53.351 1.00 19.43 C ATOM 1982 O LEU A 210 20.457 28.529 54.044 1.00 20.42 O ATOM 1983 CB LEU A 210 18.637 26.239 53.371 1.00 19.15 C ATOM 1984 CG LEU A 210 17.559 26.419 54.448 1.00 19.33 C ATOM 1985 CD1 LEU A 210 16.209 26.800 53.800 1.00 19.96 C ATOM 1986 CD2 LEU A 210 17.439 25.187 55.372 1.00 20.67 C ATOM 1987 H LEU A 210 20.956 26.887 51.943 1.00 0.00 H ATOM 1988 N LEU A 211 18.736 29.768 53.270 1.00 18.27 N ATOM 1989 CA LEU A 211 19.178 31.053 53.822 1.00 18.72 C ATOM 1990 C LEU A 211 18.145 31.618 54.766 1.00 18.49 C ATOM 1991 O LEU A 211 16.958 31.440 54.561 1.00 18.37 O ATOM 1992 CB LEU A 211 19.355 32.121 52.731 1.00 20.05 C ATOM 1993 CG LEU A 211 20.097 31.835 51.442 1.00 22.12 C ATOM 1994 CD1 LEU A 211 19.950 33.008 50.486 1.00 24.67 C ATOM 1995 CD2 LEU A 211 21.548 31.576 51.754 1.00 25.91 C ATOM 1996 H LEU A 211 17.817 29.737 52.785 1.00 0.00 H ATOM 1997 N ASP A 212 18.599 32.339 55.787 1.00 18.12 N ATOM 1998 CA ASP A 212 17.686 33.067 56.663 1.00 17.97 C ATOM 1999 C ASP A 212 17.147 34.326 56.005 1.00 17.87 C ATOM 2000 O ASP A 212 16.070 34.794 56.360 1.00 18.89 O ATOM 2001 CB ASP A 212 18.384 33.467 57.975 1.00 17.06 C ATOM 2002 CG ASP A 212 18.672 32.285 58.884 1.00 18.69 C ATOM 2003 OD1 ASP A 212 18.048 31.212 58.726 1.00 20.08 O ATOM 2004 OD2 ASP A 212 19.526 32.445 59.780 1.00 20.62 O ATOM 2005 H ASP A 212 19.623 32.385 55.965 1.00 0.00 H ATOM 2006 N SER A 213 17.874 34.865 55.027 1.00 17.69 N ATOM 2007 CA SER A 213 17.468 36.076 54.345 1.00 18.03 C ATOM 2008 C SER A 213 18.052 36.106 52.945 1.00 18.17 C ATOM 2009 O SER A 213 19.198 35.711 52.764 1.00 17.65 O ATOM 2010 CB SER A 213 17.987 37.303 55.098 1.00 18.01 C ATOM 2011 OG SER A 213 17.779 38.490 54.356 1.00 19.42 O ATOM 2012 HG SER A 213 18.125 39.263 54.869 1.00 0.00 H ATOM 2013 H SER A 213 18.761 34.401 54.745 1.00 0.00 H ATOM 2014 N PHE A 214 17.287 36.594 51.969 1.00 17.61 N ATOM 2015 CA PHE A 214 17.840 36.718 50.616 1.00 18.11 C ATOM 2016 C PHE A 214 18.956 37.767 50.524 1.00 18.82 C ATOM 2017 O PHE A 214 19.755 37.750 49.560 1.00 18.98 O ATOM 2018 CB PHE A 214 16.747 36.999 49.587 1.00 17.05 C ATOM 2019 CG PHE A 214 15.824 35.830 49.359 1.00 17.22 C ATOM 2020 CD1 PHE A 214 16.294 34.626 48.849 1.00 16.42 C ATOM 2021 CD2 PHE A 214 14.471 35.967 49.635 1.00 17.20 C ATOM 2022 CE1 PHE A 214 15.410 33.537 48.625 1.00 18.47 C ATOM 2023 CE2 PHE A 214 13.590 34.909 49.422 1.00 17.87 C ATOM 2024 CZ PHE A 214 14.045 33.689 48.930 1.00 17.86 C ATOM 2025 H PHE A 214 16.308 36.884 52.165 1.00 0.00 H ATOM 2026 N ALA A 215 19.042 38.650 51.526 1.00 20.43 N ATOM 2027 CA ALA A 215 20.181 39.581 51.598 1.00 21.06 C ATOM 2028 C ALA A 215 21.509 38.844 51.779 1.00 21.87 C ATOM 2029 O ALA A 215 22.564 39.412 51.466 1.00 23.36 O ATOM 2030 CB ALA A 215 19.975 40.622 52.707 1.00 21.46 C ATOM 2031 H ALA A 215 18.302 38.679 52.256 1.00 0.00 H ATOM 2032 N GLU A 216 21.462 37.593 52.243 1.00 21.41 N ATOM 2033 CA GLU A 216 22.661 36.773 52.463 1.00 21.87 C ATOM 2034 C GLU A 216 23.295 36.276 51.154 1.00 22.73 C ATOM 2035 O GLU A 216 24.413 35.734 51.154 1.00 24.21 O ATOM 2036 CB GLU A 216 22.362 35.623 53.422 1.00 21.02 C ATOM 2037 CG GLU A 216 22.168 36.107 54.868 1.00 22.38 C ATOM 2038 CD GLU A 216 21.427 35.137 55.777 1.00 23.44 C ATOM 2039 OE1 GLU A 216 21.065 34.022 55.368 1.00 23.34 O ATOM 2040 OE2 GLU A 216 21.233 35.498 56.952 1.00 26.39 O ATOM 2041 H GLU A 216 20.533 37.179 52.459 1.00 0.00 H ATOM 2042 N LEU A 217 22.602 36.494 50.036 1.00 22.42 N ATOM 2043 CA LEU A 217 23.199 36.236 48.719 1.00 23.04 C ATOM 2044 C LEU A 217 24.307 37.225 48.333 1.00 23.35 C ATOM 2045 O LEU A 217 25.191 36.902 47.540 1.00 24.38 O ATOM 2046 CB LEU A 217 22.111 36.270 47.651 1.00 22.22 C ATOM 2047 CG LEU A 217 21.096 35.132 47.711 1.00 22.63 C ATOM 2048 CD1 LEU A 217 19.953 35.500 46.808 1.00 24.15 C ATOM 2049 CD2 LEU A 217 21.717 33.783 47.289 1.00 24.53 C ATOM 2050 H LEU A 217 21.627 36.851 50.097 1.00 0.00 H ATOM 2051 N GLY A 218 24.246 38.446 48.869 1.00 24.76 N ATOM 2052 CA GLY A 218 25.111 39.532 48.387 1.00 25.50 C ATOM 2053 C GLY A 218 24.821 39.902 46.942 1.00 26.61 C ATOM 2054 O GLY A 218 25.742 40.214 46.169 1.00 26.48 O ATOM 2055 H GLY A 218 23.575 38.632 49.641 1.00 0.00 H ATOM 2056 N GLY A 219 23.544 39.856 46.564 1.00 26.61 N ATOM 2057 CA GLY A 219 23.140 40.149 45.187 1.00 26.87 C ATOM 2058 C GLY A 219 23.438 39.064 44.164 1.00 26.90 C ATOM 2059 O GLY A 219 23.528 37.880 44.492 1.00 26.76 O ATOM 2060 H GLY A 219 22.816 39.606 47.264 1.00 0.00 H ATOM 2061 N LEU A 220 23.600 39.484 42.906 1.00 26.95 N ATOM 2062 CA LEU A 220 23.780 38.561 41.784 1.00 28.19 C ATOM 2063 C LEU A 220 24.909 37.579 42.009 1.00 28.01 C ATOM 2064 O LEU A 220 24.814 36.419 41.624 1.00 28.23 O ATOM 2065 CB LEU A 220 24.063 39.325 40.486 1.00 28.70 C ATOM 2066 CG LEU A 220 22.900 39.989 39.771 1.00 29.16 C ATOM 2067 CD1 LEU A 220 23.420 40.683 38.518 1.00 28.43 C ATOM 2068 CD2 LEU A 220 21.843 38.941 39.435 1.00 29.02 C ATOM 2069 H LEU A 220 23.598 40.507 42.716 1.00 0.00 H ATOM 2070 N ALA A 221 26.000 38.056 42.603 1.00 28.85 N ATOM 2071 CA ALA A 221 27.152 37.190 42.888 1.00 30.19 C ATOM 2072 C ALA A 221 26.742 35.866 43.544 1.00 30.38 C ATOM 2073 O ALA A 221 27.225 34.798 43.163 1.00 31.37 O ATOM 2074 CB ALA A 221 28.187 37.926 43.745 1.00 30.38 C ATOM 2075 H ALA A 221 26.038 39.060 42.870 1.00 0.00 H ATOM 2076 N GLY A 222 25.820 35.932 44.506 1.00 30.36 N ATOM 2077 CA GLY A 222 25.431 34.742 45.267 1.00 30.53 C ATOM 2078 C GLY A 222 24.582 33.720 44.524 1.00 31.10 C ATOM 2079 O GLY A 222 24.351 32.613 45.014 1.00 29.89 O ATOM 2080 H GLY A 222 25.369 36.845 44.720 1.00 0.00 H ATOM 2081 N LEU A 223 24.131 34.087 43.332 1.00 31.85 N ATOM 2082 CA LEU A 223 23.192 33.246 42.598 1.00 34.04 C ATOM 2083 C LEU A 223 23.829 32.140 41.799 1.00 35.64 C ATOM 2084 O LEU A 223 23.208 31.089 41.581 1.00 36.03 O ATOM 2085 CB LEU A 223 22.344 34.092 41.656 1.00 33.55 C ATOM 2086 CG LEU A 223 21.261 34.918 42.332 1.00 34.54 C ATOM 2087 CD1 LEU A 223 20.564 35.738 41.287 1.00 34.82 C ATOM 2088 CD2 LEU A 223 20.277 34.032 43.066 1.00 35.82 C ATOM 2089 H LEU A 223 24.451 34.985 42.916 1.00 0.00 H ATOM 2090 N ASP A 224 25.055 32.377 41.347 1.00 36.96 N ATOM 2091 CA ASP A 224 25.658 31.463 40.390 1.00 38.90 C ATOM 2092 C ASP A 224 26.344 30.287 41.072 1.00 39.22 C ATOM 2093 O ASP A 224 27.576 30.162 41.087 1.00 38.79 O ATOM 2094 CB ASP A 224 26.576 32.199 39.420 1.00 39.24 C ATOM 2095 CG ASP A 224 26.992 31.328 38.262 1.00 41.51 C ATOM 2096 OD1 ASP A 224 26.131 30.574 37.733 1.00 41.59 O ATOM 2097 OD2 ASP A 224 28.188 31.389 37.895 1.00 43.82 O ATOM 2098 H ASP A 224 25.581 33.212 41.676 1.00 0.00 H ATOM 2099 N LEU A 225 25.505 29.422 41.629 1.00 39.53 N ATOM 2100 CA LEU A 225 25.937 28.230 42.339 1.00 40.64 C ATOM 2101 C LEU A 225 26.354 27.151 41.347 1.00 41.30 C ATOM 2102 O LEU A 225 26.156 27.293 40.140 1.00 41.26 O ATOM 2103 CB LEU A 225 24.797 27.707 43.227 1.00 40.80 C ATOM 2104 CG LEU A 225 24.090 28.721 44.143 1.00 41.36 C ATOM 2105 CD1 LEU A 225 22.974 28.060 44.920 1.00 42.29 C ATOM 2106 CD2 LEU A 225 25.063 29.401 45.103 1.00 43.32 C ATOM 2107 H LEU A 225 24.484 29.607 41.553 1.00 0.00 H ATOM 2108 N THR A 226 26.936 26.077 41.873 1.00 42.17 N ATOM 2109 CA THR A 226 27.243 24.894 41.084 1.00 43.30 C ATOM 2110 C THR A 226 25.943 24.172 40.728 1.00 43.58 C ATOM 2111 O THR A 226 25.720 23.810 39.574 1.00 44.19 O ATOM 2112 CB THR A 226 28.161 23.929 41.858 1.00 43.51 C ATOM 2113 OG1 THR A 226 29.073 24.676 42.684 1.00 44.34 O ATOM 2114 CG2 THR A 226 28.939 23.038 40.891 1.00 43.82 C ATOM 2115 HG1 THR A 226 28.559 25.225 43.328 1.00 0.00 H ATOM 2116 H THR A 226 27.180 26.083 42.884 1.00 0.00 H TER 2117 THR A 226 HETATM 2118 MG MG A 1 5.816 31.068 48.086 1.00 13.81 MG HETATM 2119 O HOH 2 15.984 33.133 23.215 1.00 54.35 O HETATM 2120 O HOH 3 15.294 30.460 58.423 1.00 31.06 O HETATM 2121 O HOH 4 21.142 30.317 26.846 1.00 37.15 O HETATM 2122 O HOH 5 -14.222 33.434 37.788 1.00 46.70 O HETATM 2123 O HOH 6 24.879 27.927 51.559 1.00 38.39 O HETATM 2124 O HOH 7 0.742 17.975 40.148 1.00100.92 O HETATM 2125 O HOH 8 21.484 34.263 59.203 1.00 20.15 O HETATM 2126 O HOH 9 -11.173 38.986 60.681 1.00 33.33 O HETATM 2127 O HOH 10 25.686 31.948 30.363 1.00 48.99 O HETATM 2128 O HOH 11 2.606 18.075 37.048 1.00 32.48 O HETATM 2129 O HOH 12 8.363 35.462 58.163 1.00 34.86 O HETATM 2130 O HOH 13 -16.862 34.080 59.172 1.00 32.39 O HETATM 2131 O HOH 14 -9.686 30.573 36.720 1.00 22.70 O HETATM 2132 O HOH 15 25.415 32.199 47.370 1.00 31.11 O HETATM 2133 O HOH 16 -4.318 37.849 59.097 1.00 23.33 O HETATM 2134 O HOH 17 -22.851 26.649 60.946 1.00 35.11 O HETATM 2135 O HOH 18 -0.205 18.996 51.716 1.00 22.92 O HETATM 2136 O HOH 19 22.113 37.837 57.841 1.00 27.24 O HETATM 2137 O HOH 20 18.172 40.366 56.201 1.00 31.72 O HETATM 2138 O HOH 21 -16.969 31.816 63.451 1.00 35.70 O HETATM 2139 O HOH 22 -12.802 29.043 63.131 1.00 35.73 O HETATM 2140 O HOH 23 0.557 14.917 38.121 1.00 48.07 O HETATM 2141 O HOH 24 -7.168 28.018 67.813 1.00 26.55 O HETATM 2142 O HOH 25 -15.646 29.174 62.665 1.00 27.03 O HETATM 2143 O HOH 26 -1.195 39.380 61.267 1.00 29.84 O HETATM 2144 O HOH 27 19.478 33.969 27.510 1.00 45.29 O HETATM 2145 O HOH 28 4.922 19.527 32.160 1.00 31.89 O HETATM 2146 O HOH 29 12.437 29.565 21.948 1.00 40.75 O HETATM 2147 O HOH 30 -4.502 25.131 38.361 1.00 21.47 O HETATM 2148 O HOH 31 17.300 29.945 21.715 1.00 41.29 O HETATM 2149 O HOH 32 -3.378 19.603 48.385 1.00 24.05 O HETATM 2150 O HOH 33 12.269 35.547 58.475 1.00 40.52 O HETATM 2151 O HOH 34 -18.668 30.386 39.044 1.00 48.81 O HETATM 2152 O HOH 35 -5.327 19.823 57.938 1.00 42.66 O HETATM 2153 O HOH 36 -4.735 34.450 37.611 1.00 40.00 O HETATM 2154 O HOH 37 2.647 25.909 55.912 1.00 25.87 O HETATM 2155 O HOH 38 6.672 16.455 52.916 1.00 33.28 O HETATM 2156 O HOH 39 0.236 19.412 42.251 1.00 33.55 O HETATM 2157 O HOH 40 11.266 28.180 24.595 1.00 34.13 O HETATM 2158 O HOH 41 -14.408 35.469 59.094 1.00 32.34 O HETATM 2159 O HOH 42 21.424 31.707 56.865 1.00 30.26 O HETATM 2160 O HOH 43 -24.341 34.333 51.234 1.00 37.97 O HETATM 2161 O HOH 44 -24.374 28.951 53.782 1.00 31.55 O HETATM 2162 O HOH 45 3.431 18.034 48.381 1.00 23.22 O HETATM 2163 O HOH 46 -19.405 25.483 46.440 1.00 40.50 O HETATM 2164 O HOH 47 -5.607 32.310 38.227 1.00 39.91 O HETATM 2165 O HOH 48 26.968 29.231 25.458 1.00 34.52 O HETATM 2166 O HOH 49 -1.088 19.969 55.816 1.00 22.88 O HETATM 2167 O HOH 50 -11.193 14.807 51.570 1.00 36.47 O HETATM 2168 O HOH 51 -0.419 20.123 48.105 1.00 20.75 O HETATM 2169 O HOH 52 -25.940 27.359 58.060 1.00 38.97 O HETATM 2170 O HOH 53 -12.288 32.512 40.361 1.00 29.62 O HETATM 2171 O HOH 54 28.092 26.590 44.546 1.00 42.51 O HETATM 2172 O HOH 55 -16.024 26.845 41.569 1.00 32.19 O HETATM 2173 O HOH 56 4.130 17.853 35.227 1.00 37.21 O HETATM 2174 O HOH 57 29.952 35.069 42.387 1.00 38.53 O HETATM 2175 O HOH 58 15.554 37.119 57.942 1.00 33.13 O HETATM 2176 O HOH 59 7.338 29.885 62.704 1.00 26.20 O HETATM 2177 O HOH 60 -1.484 23.018 32.197 1.00 28.82 O HETATM 2178 O HOH 61 -6.158 19.104 48.608 1.00 36.06 O HETATM 2179 O HOH 62 3.673 24.038 31.721 1.00 22.72 O HETATM 2180 O HOH 63 -7.338 19.295 55.758 1.00 31.27 O HETATM 2181 O HOH 64 7.828 23.084 25.976 1.00 39.48 O HETATM 2182 O HOH 65 9.767 31.049 62.955 1.00 27.09 O HETATM 2183 O HOH 66 -20.602 37.763 59.183 1.00 40.17 O HETATM 2184 O HOH 67 -4.218 28.401 67.833 1.00 31.20 O HETATM 2185 O HOH 68 8.080 18.873 40.712 1.00 30.08 O HETATM 2186 O HOH 69 -24.713 32.952 53.894 1.00 48.23 O HETATM 2187 O HOH 70 -17.587 25.001 43.662 1.00 34.30 O HETATM 2188 O HOH 71 2.611 25.328 29.900 1.00 26.55 O HETATM 2189 O HOH 72 -25.898 34.353 56.946 1.00 36.54 O HETATM 2190 O HOH 73 14.256 37.944 55.314 1.00 21.29 O HETATM 2191 O HOH 74 11.496 35.264 24.891 1.00 47.41 O HETATM 2192 O HOH 75 2.478 19.443 50.838 1.00 25.56 O HETATM 2193 O HOH 76 18.898 30.317 25.344 1.00 51.93 O HETATM 2194 O HOH 77 -19.522 29.274 64.441 1.00 38.39 O HETATM 2195 O HOH 78 2.085 22.728 58.135 1.00 37.85 O HETATM 2196 O HOH 79 8.414 19.395 55.525 1.00 27.28 O HETATM 2197 O HOH 80 9.251 33.990 61.101 1.00 34.98 O HETATM 2198 O HOH 81 22.757 45.659 30.309 1.00 42.00 O HETATM 2199 O HOH 82 11.019 17.393 48.760 1.00 45.49 O HETATM 2200 O HOH 83 22.343 28.249 26.260 1.00 48.91 O HETATM 2201 O HOH 84 13.868 17.331 37.268 1.00 44.26 O HETATM 2202 O HOH 85 -8.935 26.238 37.929 1.00 34.38 O HETATM 2203 O HOH 86 12.642 18.873 47.349 1.00 33.60 O HETATM 2204 O HOH 87 23.927 40.357 54.271 1.00 45.71 O HETATM 2205 O HOH 88 -2.859 36.327 64.609 1.00 30.14 O HETATM 2206 O HOH 89 8.411 19.076 58.254 1.00 46.24 O HETATM 2207 O HOH 90 13.554 18.237 34.838 1.00 45.17 O HETATM 2208 O HOH 91 -24.126 38.921 51.441 1.00 48.41 O HETATM 2209 O HOH 92 -13.352 38.698 59.405 1.00 35.79 O HETATM 2210 O HOH 93 4.218 20.979 52.045 1.00 28.06 O HETATM 2211 O HOH 94 13.064 16.844 41.247 1.00 31.78 O HETATM 2212 O HOH 95 27.582 33.897 48.651 1.00 36.13 O HETATM 2213 O HOH 96 -7.096 25.455 67.841 1.00 34.84 O HETATM 2214 O HOH 97 20.370 16.746 50.125 1.00 47.44 O HETATM 2215 O HOH 98 8.017 27.189 62.763 1.00 33.25 O HETATM 2216 O HOH 99 16.384 15.575 47.857 1.00 31.27 O HETATM 2217 O HOH 100 -2.052 39.410 63.874 1.00 39.38 O HETATM 2218 O HOH 101 -11.819 30.442 38.623 1.00 28.41 O HETATM 2219 O HOH 102 -0.786 30.291 66.221 1.00 35.72 O HETATM 2220 O HOH 103 -12.111 13.424 49.671 1.00 52.54 O HETATM 2221 O HOH 104 12.629 16.037 33.658 1.00 54.04 O HETATM 2222 O HOH 105 -6.831 36.561 36.742 1.00 45.78 O HETATM 2223 O HOH 106 28.148 41.764 49.235 1.00 51.69 O HETATM 2224 O HOH 107 13.625 15.124 48.649 1.00 28.14 O HETATM 2225 O HOH 108 2.825 20.838 28.742 1.00 41.80 O HETATM 2226 O HOH 109 10.958 15.737 53.285 1.00 35.81 O HETATM 2227 O HOH 110 12.458 14.462 54.987 1.00 36.84 O HETATM 2228 O HOH 111 6.269 29.105 47.388 1.00 15.27 O HETATM 2229 O HOH 112 4.795 30.191 49.806 1.00 15.70 O HETATM 2230 O HOH 113 -4.543 30.591 42.854 1.00 14.90 O HETATM 2231 O HOH 114 1.783 26.374 40.262 1.00 13.44 O HETATM 2232 O HOH 115 0.252 28.451 39.174 1.00 15.50 O HETATM 2233 O HOH 116 -6.750 28.883 42.918 1.00 16.54 O HETATM 2234 O HOH 117 2.838 24.195 38.728 1.00 14.72 O HETATM 2235 O HOH 118 -0.548 22.041 46.228 1.00 17.31 O HETATM 2236 O HOH 119 14.957 38.058 52.519 1.00 18.12 O HETATM 2237 O HOH 120 1.256 39.570 55.256 1.00 22.37 O HETATM 2238 O HOH 121 4.073 27.994 46.172 1.00 16.59 O HETATM 2239 O HOH 122 2.407 30.497 50.989 1.00 18.62 O HETATM 2240 O HOH 123 14.237 44.459 49.196 1.00 22.59 O HETATM 2241 O HOH 124 19.714 25.680 37.373 1.00 23.26 O HETATM 2242 O HOH 125 4.144 35.174 53.302 1.00 17.97 O HETATM 2243 O HOH 126 5.038 23.661 51.107 1.00 17.79 O HETATM 2244 O HOH 127 -4.469 43.925 40.428 1.00 25.02 O HETATM 2245 O HOH 128 14.065 32.926 56.977 1.00 23.06 O HETATM 2246 O HOH 129 -8.120 20.711 47.250 1.00 22.10 O HETATM 2247 O HOH 130 -2.815 22.654 44.609 1.00 18.68 O HETATM 2248 O HOH 131 -3.037 21.911 41.881 1.00 18.71 O HETATM 2249 O HOH 132 -5.840 31.421 40.593 1.00 23.42 O HETATM 2250 O HOH 133 -13.920 27.883 60.347 1.00 24.43 O HETATM 2251 O HOH 134 -5.325 22.894 40.553 1.00 25.18 O HETATM 2252 O HOH 135 -16.093 26.143 59.864 1.00 25.08 O HETATM 2253 O HOH 136 3.628 26.894 48.764 1.00 20.33 O HETATM 2254 O HOH 137 0.162 41.649 56.865 1.00 29.83 O HETATM 2255 O HOH 138 2.659 24.653 49.923 1.00 22.47 O HETATM 2256 O HOH 139 -9.374 28.424 62.345 1.00 21.86 O HETATM 2257 O HOH 140 7.762 41.428 53.516 1.00 23.46 O HETATM 2258 O HOH 141 16.854 44.772 48.646 1.00 25.37 O HETATM 2259 O HOH 142 -18.438 21.982 53.697 1.00 25.62 O HETATM 2260 O HOH 143 9.894 24.306 29.711 1.00 22.30 O HETATM 2261 O HOH 144 -6.274 35.672 45.517 1.00 22.02 O HETATM 2262 O HOH 145 1.237 27.959 50.051 1.00 21.67 O HETATM 2263 O HOH 146 4.412 36.756 30.700 1.00 26.69 O HETATM 2264 O HOH 147 11.510 38.759 55.535 1.00 24.56 O HETATM 2265 O HOH 148 -9.645 32.118 41.166 1.00 24.22 O HETATM 2266 O HOH 149 4.687 32.258 52.547 1.00 27.07 O HETATM 2267 O HOH 150 7.177 31.624 53.933 1.00 22.79 O HETATM 2268 O HOH 151 20.373 41.948 46.983 1.00 27.79 O HETATM 2269 O HOH 152 21.126 39.657 48.033 1.00 30.63 O HETATM 2270 O HOH 153 16.384 19.008 39.520 1.00 27.35 O HETATM 2271 O HOH 154 -1.503 47.762 45.049 1.00 26.23 O HETATM 2272 O HOH 155 12.500 22.539 32.637 1.00 34.99 O HETATM 2273 O HOH 156 3.557 25.541 53.361 1.00 28.31 O HETATM 2274 O HOH 157 22.800 26.510 52.520 1.00 29.76 O HETATM 2275 O HOH 158 15.744 21.823 56.008 1.00 28.29 O HETATM 2276 O HOH 159 13.870 26.404 57.984 1.00 31.03 O HETATM 2277 O HOH 160 3.702 52.486 45.133 1.00 31.52 O HETATM 2278 O HOH 161 11.541 20.121 33.219 1.00 26.61 O HETATM 2279 O HOH 162 -17.195 36.688 43.111 1.00 34.04 O HETATM 2280 O HOH 163 -6.939 25.992 64.751 1.00 27.83 O HETATM 2281 O HOH 164 -10.059 45.232 44.524 1.00 30.96 O HETATM 2282 O HOH 165 5.339 32.634 55.711 1.00 27.12 O HETATM 2283 O HOH 166 -15.986 41.458 55.980 1.00 33.03 O HETATM 2284 O HOH 167 3.844 52.486 33.252 1.00 30.27 O HETATM 2285 O HOH 168 -0.321 49.692 37.308 1.00 43.33 O HETATM 2286 O HOH 169 -3.638 43.642 57.812 1.00 31.15 O HETATM 2287 O HOH 170 18.101 48.604 37.550 1.00 37.08 O HETATM 2288 O HOH 171 8.345 36.027 26.520 1.00 39.71 O HETATM 2289 O HOH 172 -0.588 24.341 62.506 1.00 31.39 O HETATM 2290 O HOH 173 2.624 37.218 56.511 1.00 25.53 O HETATM 2291 O HOH 174 -8.725 35.113 41.298 1.00 36.88 O HETATM 2292 O HOH 175 26.374 40.967 43.346 1.00 29.67 O HETATM 2293 O HOH 176 -14.533 41.261 47.749 1.00 30.71 O HETATM 2294 O HOH 177 12.225 18.058 51.918 1.00 34.16 O HETATM 2295 O HOH 178 13.968 25.928 29.027 1.00 35.32 O HETATM 2296 O HOH 179 -11.451 21.785 57.350 1.00 31.78 O HETATM 2297 O HOH 180 1.657 44.433 33.942 1.00 28.02 O HETATM 2298 O HOH 181 21.702 43.194 44.981 1.00 29.31 O HETATM 2299 O HOH 182 10.931 48.951 45.585 1.00 32.49 O HETATM 2300 O HOH 183 17.141 44.930 51.816 1.00 30.67 O HETATM 2301 O HOH 184 -20.004 23.208 51.464 1.00 37.20 O HETATM 2302 O HOH 185 -0.729 18.923 34.010 1.00 47.33 O HETATM 2303 O HOH 186 -11.812 23.067 59.659 1.00 36.77 O HETATM 2304 O HOH 187 -20.400 21.402 57.319 1.00 38.08 O HETATM 2305 O HOH 188 14.557 23.512 57.681 1.00 36.53 O HETATM 2306 O HOH 189 -14.673 20.355 48.767 1.00 29.49 O HETATM 2307 O HOH 190 8.623 33.995 53.846 1.00 29.74 O HETATM 2308 O HOH 191 -15.548 22.851 61.651 1.00 34.95 O HETATM 2309 O HOH 192 -17.529 26.872 62.045 1.00 31.84 O HETATM 2310 O HOH 193 6.821 27.364 60.385 1.00 31.83 O HETATM 2311 O HOH 194 -2.759 41.286 57.385 1.00 32.82 O HETATM 2312 O HOH 195 -3.536 40.299 59.849 1.00 30.38 O HETATM 2313 O HOH 196 12.728 48.998 47.909 1.00 31.46 O HETATM 2314 O HOH 197 13.000 46.900 49.830 1.00 26.29 O HETATM 2315 O HOH 198 27.797 36.522 47.653 1.00 34.73 O HETATM 2316 O HOH 199 18.573 22.549 52.702 1.00 44.46 O HETATM 2317 O HOH 200 -0.534 21.457 34.639 1.00 33.00 O HETATM 2318 O HOH 201 10.064 47.284 50.544 1.00 28.62 O HETATM 2319 O HOH 202 23.228 41.786 50.170 1.00 44.65 O HETATM 2320 O HOH 203 -11.997 26.279 61.347 1.00 35.10 O HETATM 2321 O HOH 204 17.957 46.914 50.243 1.00 41.58 O HETATM 2322 O HOH 205 18.476 21.001 40.117 1.00 38.46 O HETATM 2323 O HOH 206 -7.344 33.255 39.665 1.00 32.25 O HETATM 2324 O HOH 207 18.269 20.697 34.665 1.00 40.14 O HETATM 2325 O HOH 208 17.645 45.106 31.817 1.00 39.64 O HETATM 2326 O HOH 209 10.454 43.922 32.439 1.00 40.23 O HETATM 2327 O HOH 210 2.566 34.214 30.889 1.00 32.42 O HETATM 2328 O HOH 211 14.002 46.709 42.398 1.00 36.76 O HETATM 2329 O HOH 212 14.018 47.339 39.723 1.00 36.25 O HETATM 2330 O HOH 213 20.892 42.827 49.949 1.00 39.22 O HETATM 2331 O HOH 214 16.206 19.095 33.215 1.00 51.22 O HETATM 2332 O HOH 215 15.654 49.131 38.579 1.00 34.61 O HETATM 2333 O HOH 216 10.061 41.275 55.074 1.00 27.39 O HETATM 2334 O HOH 217 -13.297 25.853 42.252 1.00 32.09 O HETATM 2335 O HOH 218 1.432 22.538 31.970 1.00 31.78 O HETATM 2336 O HOH 219 -4.028 47.084 44.290 1.00 33.89 O HETATM 2337 O HOH 220 -7.296 43.780 39.903 1.00 32.82 O HETATM 2338 O HOH 221 -8.580 47.874 44.907 1.00 37.18 O HETATM 2339 O HOH 222 -4.489 20.596 45.145 1.00 35.94 O HETATM 2340 O HOH 223 12.622 24.133 30.395 1.00 29.93 O HETATM 2341 O HOH 224 -0.759 50.372 45.104 1.00 36.00 O HETATM 2342 O HOH 225 -4.928 43.418 37.466 1.00 32.20 O HETATM 2343 O HOH 226 5.205 53.358 37.609 1.00 34.89 O HETATM 2344 O HOH 227 -11.970 24.339 43.957 1.00 39.75 O HETATM 2345 O HOH 228 12.630 48.479 43.485 1.00 38.29 O HETATM 2346 O HOH 229 11.058 50.312 41.711 1.00 39.98 O HETATM 2347 O HOH 230 5.686 37.993 28.776 1.00 35.47 O HETATM 2348 O HOH 231 15.511 18.501 55.141 1.00 40.94 O HETATM 2349 O HOH 232 -9.243 41.678 59.802 1.00 41.87 O HETATM 2350 O HOH 233 20.833 47.035 43.173 1.00 37.29 O HETATM 2351 O HOH 234 -18.578 41.684 56.630 1.00 39.62 O HETATM 2352 O HOH 235 28.420 40.258 47.069 1.00 47.22 O HETATM 2353 O HOH 236 10.990 48.884 36.257 1.00 38.52 O HETATM 2354 O HOH 237 24.580 44.476 37.580 1.00 33.82 O HETATM 2355 O HOH 238 -9.184 49.270 51.296 1.00 46.79 O HETATM 2356 O HOH 239 8.464 48.108 48.745 1.00 38.35 O HETATM 2357 O HOH 240 19.075 19.155 44.704 1.00 37.53 O HETATM 2358 O HOH 241 24.457 24.047 43.843 1.00 46.49 O HETATM 2359 O HOH 242 11.269 43.606 55.037 1.00 43.62 O HETATM 2360 O HOH 243 11.892 49.057 38.734 1.00 46.74 O HETATM 2361 O HOH 244 -8.780 25.143 40.586 1.00 33.21 O HETATM 2362 O HOH 245 19.597 18.870 51.324 1.00 46.24 O HETATM 2363 O HOH 246 18.117 21.745 29.392 1.00 44.61 O HETATM 2364 O HOH 247 20.307 23.061 37.007 1.00 44.56 O HETATM 2365 O HOH 248 -15.653 40.249 50.193 1.00 43.68 O HETATM 2366 O HOH 249 20.802 23.095 51.351 1.00 46.86 O HETATM 2367 O HOH 250 16.506 18.010 44.962 1.00 38.31 O HETATM 2368 O HOH 251 1.268 25.945 64.032 1.00 46.37 O HETATM 2369 O HOH 252 -4.381 46.497 54.237 1.00 35.68 O HETATM 2370 O HOH 253 16.000 42.592 32.748 1.00 49.38 O HETATM 2371 O HOH 254 22.875 46.010 45.106 1.00 39.83 O HETATM 2372 O HOH 255 10.163 42.627 28.917 1.00 39.51 O HETATM 2373 O HOH 256 4.954 21.870 30.655 1.00 43.21 O HETATM 2374 O HOH 257 23.193 23.637 51.899 1.00 43.60 O HETATM 2375 O HOH 258 13.359 42.514 34.027 1.00 41.99 O HETATM 2376 O HOH 259 3.371 27.807 51.934 1.00 41.41 O HETATM 2377 O HOH 260 -10.898 45.523 55.049 1.00 44.39 O HETATM 2378 O HOH 261 0.798 47.109 50.759 1.00 44.92 O HETATM 2379 O HOH 262 -16.294 39.124 42.896 1.00 45.36 O HETATM 2380 O HOH 263 0.930 36.859 32.405 1.00 38.36 O HETATM 2381 O HOH 264 15.761 17.153 41.937 1.00 39.74 O HETATM 2382 O HOH 265 4.249 41.722 55.792 1.00 35.89 O HETATM 2383 O HOH 266 5.864 43.680 54.680 1.00 43.09 O HETATM 2384 O HOH 267 6.118 48.732 49.849 1.00 43.98 O HETATM 2385 O HOH 268 10.663 35.564 56.247 1.00 39.11 O HETATM 2386 O HOH 269 -11.055 38.787 41.304 1.00 49.41 O HETATM 2387 O HOH 270 2.424 39.019 30.759 1.00 45.03 O HETATM 2388 O HOH 271 9.827 50.615 34.386 1.00 46.12 O HETATM 2389 O HOH 272 7.089 21.999 28.755 1.00 49.07 O HETATM 2390 O HOH 273 -3.349 42.838 63.969 1.00 40.97 O HETATM 2391 O HOH 274 17.859 48.825 44.479 1.00 44.24 O HETATM 2392 O HOH 275 25.052 46.795 38.557 1.00 47.53 O HETATM 2393 O HOH 276 24.886 21.339 40.672 1.00 55.74 O HETATM 2394 O HOH 277 15.835 27.435 25.914 1.00 48.34 O HETATM 2395 O HOH 278 -10.687 46.454 52.064 1.00 58.64 O HETATM 2396 O HOH 279 13.456 43.828 31.014 1.00 54.32 O HETATM 2397 O HOH 280 -16.253 41.131 45.476 1.00 44.39 O HETATM 2398 O HOH 281 10.648 48.586 53.228 1.00 35.03 O HETATM 2399 O HOH 282 -2.546 45.966 56.199 1.00 39.13 O HETATM 2400 O HOH 283 -9.016 41.368 41.396 1.00 43.45 O HETATM 2401 O HOH 284 3.375 30.044 53.292 1.00 33.09 O HETATM 2402 O HOH 285 15.443 49.511 43.296 1.00 33.72 O HETATM 2403 O HOH 286 1.059 41.266 31.500 1.00 42.74 O HETATM 2404 O HOH 287 -0.404 45.021 55.321 1.00 46.40 O HETATM 2405 O HOH 288 -9.945 44.042 42.015 1.00 44.81 O HETATM 2406 O HOH 289 -4.989 42.054 61.282 1.00 39.36 O HETATM 2407 O HOH 290 -0.802 47.023 37.420 1.00 34.71 O HETATM 2408 O HOH 291 -13.783 24.368 60.906 1.00 42.96 O HETATM 2409 O HOH 292 11.438 25.688 27.667 1.00 39.56 O HETATM 2410 O HOH 293 -10.076 23.187 43.543 1.00 39.74 O HETATM 2411 O HOH 294 19.475 50.825 38.251 1.00 42.00 O HETATM 2412 O HOH 295 -4.561 40.690 36.341 1.00 45.38 O HETATM 2413 C1 XBP A 296 1.314 30.522 47.593 1.00 0.15 C HETATM 2414 C2 XBP A 296 -0.116 30.001 47.480 1.00 0.17 C HETATM 2415 C3 XBP A 296 -1.251 30.873 47.030 1.00 0.16 C HETATM 2416 C4 XBP A 296 -1.511 31.907 48.127 1.00 0.12 C HETATM 2417 C5 XBP A 296 -2.846 32.612 47.992 1.00 0.11 C HETATM 2418 O5 XBP A 296 -3.047 33.160 46.687 1.00 -0.27 O HETATM 2419 P2 XBP A 296 -4.385 32.792 45.872 1.00 0.20 P HETATM 2420 O4P XBP A 296 -4.464 33.819 44.789 1.00 -0.55 O HETATM 2421 O5P XBP A 296 -5.553 32.837 46.837 1.00 -0.55 O HETATM 2422 O6P XBP A 296 -4.219 31.404 45.322 1.00 -0.55 O HETATM 2423 H XBP A 296 -2.890 33.428 48.728 1.00 0.06 H HETATM 2424 H XBP A 296 -3.649 31.889 48.198 1.00 0.06 H HETATM 2425 O4 XBP A 296 -1.525 31.253 49.408 1.00 -0.38 O HETATM 2426 H XBP A 296 -1.638 31.902 50.092 1.00 0.21 H HETATM 2427 H XBP A 296 -0.705 32.655 48.098 1.00 0.07 H HETATM 2428 O3 XBP A 296 -2.384 30.019 46.812 1.00 -0.37 O HETATM 2429 H XBP A 296 -3.131 30.546 46.552 1.00 0.21 H HETATM 2430 H XBP A 296 -0.992 31.389 46.093 1.00 0.09 H HETATM 2431 O2 XBP A 296 -0.339 28.834 47.836 1.00 -0.39 O HETATM 2432 O1 XBP A 296 1.717 31.447 46.538 1.00 -0.26 O HETATM 2433 P1 XBP A 296 3.240 31.403 45.924 1.00 0.20 P HETATM 2434 O1P XBP A 296 3.165 30.257 44.929 1.00 -0.55 O HETATM 2435 O2P XBP A 296 4.139 31.140 47.114 1.00 -0.55 O HETATM 2436 O3P XBP A 296 3.433 32.766 45.312 1.00 -0.55 O HETATM 2437 H XBP A 296 1.995 29.659 47.569 1.00 0.09 H HETATM 2438 H XBP A 296 1.413 31.040 48.558 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 74 72 2118 CONECT 87 86 2118 CONECT 1668 1667 2118 CONECT 2118 74 87 1668 CONECT 2413 2414 2432 2437 2438 CONECT 2414 2413 2415 2431 CONECT 2415 2414 2416 2428 2430 CONECT 2416 2415 2417 2425 2427 CONECT 2417 2416 2418 2423 2424 CONECT 2418 2417 2419 CONECT 2419 2418 2420 2421 2422 CONECT 2420 2419 CONECT 2421 2419 CONECT 2422 2419 CONECT 2423 2417 CONECT 2424 2417 CONECT 2425 2416 2426 CONECT 2426 2425 CONECT 2427 2416 CONECT 2428 2415 2429 CONECT 2429 2428 CONECT 2430 2415 CONECT 2431 2414 CONECT 2432 2413 2433 CONECT 2433 2432 2434 2435 2436 CONECT 2434 2433 CONECT 2435 2433 CONECT 2436 2433 CONECT 2437 2413 CONECT 2438 2413 MASTER 0 0 0 0 0 0 0 0 2437 1 34 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4uau
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uat
RCSB PDB
PDBbind
230aa, >4UAT_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4uat
RCSB PDB
PDBbind
XBP
Entry Information
PDB ID
4uau
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein CbbY
Ligand Name
XBP
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Ki~1.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) NATURE PLANTS. Vol.1: pp.1-6
Ligand Properties
Formula
C
5
H
1
4
O
1
1
P
2
Molecular Weight
312.106
Exact Mass
312.001
No. of atoms
32
No. of bonds
31
Polar Surface Area
224.55
LOGP Value
-5.14 (
Computed with XLOGP3
)
-3.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
O[C@H](C(=O)COP(O)(O)O)[C@@H](COP(O)(O)O)O
InChI String
InChI=1S/C5H16O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8-14,17-18H,1-2H2/t3-,5+/m1/s1
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62880153
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