Browse entries in the PDBbind-CN Database
HEADER 5ETV_COMPLEX COMPND 5ETV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 HIS MET ILE GLN ALA TYR LEU GLY LEU GLY SER ASN ILE SEQRES 2 A 158 GLY ASP ARG GLU SER GLN LEU ASN ASP ALA ILE LYS ILE SEQRES 3 A 158 LEU ASN GLU TYR ASP GLY ILE SER VAL SER ASN ILE SER SEQRES 4 A 158 PRO ILE TYR GLU THR ALA PRO VAL GLY TYR THR GLU GLN SEQRES 5 A 158 PRO ASN PHE LEU ASN LEU CYS VAL GLU ILE GLN THR THR SEQRES 6 A 158 LEU THR VAL LEU GLN LEU LEU GLU CYS CYS LEU LYS THR SEQRES 7 A 158 GLU GLU CSO LEU HIS ARG ILE ARG LYS GLU ARG TRP GLY SEQRES 8 A 158 PRO ARG THR LEU ASP VAL ASP ILE LEU LEU TYR GLY GLU SEQRES 9 A 158 GLU MET ILE ASP LEU PRO LYS LEU SER VAL PRO HIS PRO SEQRES 10 A 158 ARG MET ASN GLU ARG ALA PHE VAL LEU ILE PRO LEU ASN SEQRES 11 A 158 ASP ILE ALA ALA ASN VAL VAL GLU PRO ARG SER LYS LEU SEQRES 12 A 158 LYS VAL LYS ASP LEU VAL PHE VAL ASP ASP SER VAL LYS SEQRES 13 A 158 ARG TYR HET CSO A 80 9 HET MG A 1 1 HET MG A 2 1 HET UNN A 262 33 ATOM 1 N HIS A 0 -17.199 61.715 -3.458 1.00 23.46 N ATOM 2 CA HIS A 0 -16.311 60.522 -3.724 1.00 22.86 C ATOM 3 C HIS A 0 -16.413 59.529 -2.583 1.00 19.41 C ATOM 4 O HIS A 0 -16.266 59.897 -1.411 1.00 22.41 O ATOM 5 CB HIS A 0 -14.847 60.953 -3.871 1.00 21.87 C ATOM 6 CG HIS A 0 -13.870 59.809 -3.945 1.00 19.90 C ATOM 7 ND1 HIS A 0 -13.754 59.004 -5.059 1.00 19.31 N ATOM 8 CD2 HIS A 0 -12.972 59.334 -3.046 1.00 19.95 C ATOM 9 CE1 HIS A 0 -12.836 58.081 -4.846 1.00 17.57 C ATOM 10 NE2 HIS A 0 -12.348 58.251 -3.627 1.00 18.79 N ATOM 11 HN3 HIS A 0 -16.901 62.178 -2.576 1.00 0.00 H ATOM 12 HN2 HIS A 0 -18.186 61.398 -3.369 1.00 0.00 H ATOM 13 HN1 HIS A 0 -17.120 62.388 -4.247 1.00 0.00 H ATOM 14 N MET A 1 -16.551 58.249 -2.912 1.00 18.78 N ATOM 15 CA MET A 1 -16.762 57.261 -1.874 1.00 16.02 C ATOM 16 C MET A 1 -15.508 56.439 -1.631 1.00 13.81 C ATOM 17 O MET A 1 -14.854 56.023 -2.563 1.00 16.17 O ATOM 18 CB MET A 1 -17.932 56.357 -2.241 1.00 19.70 C ATOM 19 CG MET A 1 -19.170 57.199 -2.473 1.00 27.67 C ATOM 20 SD MET A 1 -20.699 56.395 -2.055 1.00 38.85 S ATOM 21 CE MET A 1 -21.836 57.738 -2.417 1.00 37.97 C ATOM 22 H MET A 1 -16.508 57.958 -3.910 1.00 0.00 H ATOM 23 N ILE A 2 -15.218 56.228 -0.359 1.00 11.81 N ATOM 24 CA ILE A 2 -14.157 55.358 0.127 1.00 11.32 C ATOM 25 C ILE A 2 -14.804 54.006 0.447 1.00 9.85 C ATOM 26 O ILE A 2 -15.850 53.968 1.110 1.00 8.79 O ATOM 27 CB ILE A 2 -13.561 55.933 1.462 1.00 13.20 C ATOM 28 CG1 ILE A 2 -12.849 57.271 1.228 1.00 17.19 C ATOM 29 CG2 ILE A 2 -12.626 54.939 2.153 1.00 14.41 C ATOM 30 CD1 ILE A 2 -13.682 58.521 1.521 1.00 22.54 C ATOM 31 H ILE A 2 -15.794 56.723 0.352 1.00 0.00 H ATOM 32 N GLN A 3 -14.164 52.921 0.016 1.00 7.75 N ATOM 33 CA GLN A 3 -14.589 51.589 0.410 1.00 9.01 C ATOM 34 C GLN A 3 -13.910 51.193 1.712 1.00 8.04 C ATOM 35 O GLN A 3 -12.686 51.183 1.780 1.00 8.68 O ATOM 36 CB GLN A 3 -14.226 50.593 -0.671 1.00 10.33 C ATOM 37 CG GLN A 3 -14.673 49.177 -0.372 1.00 13.23 C ATOM 38 CD GLN A 3 -14.752 48.383 -1.641 1.00 14.79 C ATOM 39 OE1 GLN A 3 -15.753 48.443 -2.339 1.00 17.54 O ATOM 40 NE2 GLN A 3 -13.681 47.683 -1.967 1.00 15.86 N ATOM 41 HE22 GLN A 3 -12.857 47.668 -1.333 1.00 0.00 H ATOM 42 HE21 GLN A 3 -13.662 47.146 -2.858 1.00 0.00 H ATOM 43 H GLN A 3 -13.344 53.029 -0.615 1.00 0.00 H ATOM 44 N ALA A 4 -14.675 50.942 2.763 1.00 7.75 N ATOM 45 CA ALA A 4 -14.101 50.513 4.039 1.00 7.57 C ATOM 46 C ALA A 4 -14.728 49.198 4.491 1.00 7.65 C ATOM 47 O ALA A 4 -15.807 48.787 3.989 1.00 7.83 O ATOM 48 CB ALA A 4 -14.287 51.609 5.107 1.00 7.42 C ATOM 49 H ALA A 4 -15.706 51.052 2.680 1.00 0.00 H ATOM 50 N TYR A 5 -14.047 48.553 5.432 1.00 6.97 N ATOM 51 CA TYR A 5 -14.453 47.298 6.035 1.00 7.10 C ATOM 52 C TYR A 5 -14.510 47.455 7.540 1.00 8.05 C ATOM 53 O TYR A 5 -13.576 47.985 8.150 1.00 8.21 O ATOM 54 CB TYR A 5 -13.563 46.111 5.618 1.00 7.08 C ATOM 55 CG TYR A 5 -13.709 45.831 4.154 1.00 7.52 C ATOM 56 CD1 TYR A 5 -14.701 44.969 3.678 1.00 8.68 C ATOM 57 CD2 TYR A 5 -12.924 46.498 3.234 1.00 8.39 C ATOM 58 CE1 TYR A 5 -14.868 44.760 2.325 1.00 9.08 C ATOM 59 CE2 TYR A 5 -13.086 46.282 1.881 1.00 8.73 C ATOM 60 CZ TYR A 5 -14.077 45.419 1.451 1.00 9.01 C ATOM 61 OH TYR A 5 -14.219 45.248 0.066 1.00 11.41 O ATOM 62 HH TYR A 5 -14.956 44.611 -0.113 1.00 0.00 H ATOM 63 H TYR A 5 -13.157 48.980 5.760 1.00 0.00 H ATOM 64 N LEU A 6 -15.638 47.008 8.109 1.00 7.28 N ATOM 65 CA LEU A 6 -15.897 47.012 9.558 1.00 7.79 C ATOM 66 C LEU A 6 -16.051 45.573 10.072 1.00 8.50 C ATOM 67 O LEU A 6 -16.547 44.687 9.364 1.00 8.54 O ATOM 68 CB LEU A 6 -17.138 47.793 9.884 1.00 8.17 C ATOM 69 CG LEU A 6 -17.280 49.208 9.329 1.00 7.80 C ATOM 70 CD1 LEU A 6 -18.608 49.836 9.771 1.00 8.67 C ATOM 71 CD2 LEU A 6 -16.112 50.119 9.717 1.00 8.47 C ATOM 72 H LEU A 6 -16.380 46.633 7.485 1.00 0.00 H ATOM 73 N GLY A 7 -15.526 45.344 11.278 1.00 7.61 N ATOM 74 CA GLY A 7 -15.655 44.082 12.010 1.00 8.56 C ATOM 75 C GLY A 7 -16.648 44.317 13.128 1.00 8.37 C ATOM 76 O GLY A 7 -16.489 45.263 13.899 1.00 8.90 O ATOM 77 H GLY A 7 -14.990 46.113 11.728 1.00 0.00 H ATOM 78 N LEU A 8 -17.693 43.481 13.198 1.00 9.28 N ATOM 79 CA LEU A 8 -18.702 43.597 14.226 1.00 9.30 C ATOM 80 C LEU A 8 -18.658 42.383 15.098 1.00 8.49 C ATOM 81 O LEU A 8 -18.437 41.265 14.606 1.00 8.96 O ATOM 82 CB LEU A 8 -20.115 43.729 13.668 1.00 10.50 C ATOM 83 CG LEU A 8 -20.503 45.110 13.137 1.00 13.57 C ATOM 84 CD1 LEU A 8 -19.689 45.585 11.989 1.00 16.20 C ATOM 85 CD2 LEU A 8 -21.965 45.070 12.695 1.00 16.52 C ATOM 86 H LEU A 8 -17.781 42.724 12.490 1.00 0.00 H ATOM 87 N GLY A 9 -18.881 42.628 16.385 1.00 8.16 N ATOM 88 CA GLY A 9 -18.903 41.564 17.374 1.00 7.80 C ATOM 89 C GLY A 9 -19.927 41.811 18.446 1.00 7.32 C ATOM 90 O GLY A 9 -20.238 42.960 18.747 1.00 7.44 O ATOM 91 H GLY A 9 -19.044 43.608 16.693 1.00 0.00 H ATOM 92 N SER A 10 -20.463 40.727 19.012 1.00 6.98 N ATOM 93 CA SER A 10 -21.388 40.844 20.150 1.00 7.18 C ATOM 94 C SER A 10 -21.257 39.553 20.953 1.00 6.97 C ATOM 95 O SER A 10 -21.269 38.480 20.338 1.00 7.18 O ATOM 96 CB SER A 10 -22.833 40.936 19.685 1.00 7.72 C ATOM 97 OG SER A 10 -23.699 40.940 20.808 1.00 7.46 O ATOM 98 HG SER A 10 -23.489 41.718 21.382 1.00 0.00 H ATOM 99 H SER A 10 -20.223 39.785 18.643 1.00 0.00 H ATOM 100 N ASN A 11 -21.124 39.657 22.271 1.00 6.11 N ATOM 101 CA ASN A 11 -21.197 38.450 23.118 1.00 6.04 C ATOM 102 C ASN A 11 -22.090 38.573 24.326 1.00 6.40 C ATOM 103 O ASN A 11 -21.900 37.857 25.312 1.00 6.85 O ATOM 104 CB ASN A 11 -19.834 37.911 23.460 1.00 5.99 C ATOM 105 CG ASN A 11 -19.085 38.745 24.472 1.00 6.44 C ATOM 106 OD1 ASN A 11 -19.343 39.943 24.634 1.00 7.29 O ATOM 107 ND2 ASN A 11 -18.177 38.096 25.210 1.00 6.31 N ATOM 108 HD22 ASN A 11 -17.992 37.087 25.038 1.00 0.00 H ATOM 109 HD21 ASN A 11 -17.656 38.601 25.955 1.00 0.00 H ATOM 110 H ASN A 11 -20.968 40.589 22.706 1.00 0.00 H ATOM 111 N ILE A 12 -23.123 39.424 24.253 1.00 6.71 N ATOM 112 CA ILE A 12 -24.055 39.604 25.359 1.00 6.70 C ATOM 113 C ILE A 12 -25.458 39.704 24.826 1.00 6.90 C ATOM 114 O ILE A 12 -25.720 40.488 23.877 1.00 7.74 O ATOM 115 CB ILE A 12 -23.771 40.916 26.165 1.00 6.58 C ATOM 116 CG1 ILE A 12 -22.429 40.815 26.915 1.00 7.00 C ATOM 117 CG2 ILE A 12 -24.929 41.269 27.085 1.00 6.56 C ATOM 118 CD1 ILE A 12 -22.452 39.842 28.072 1.00 6.91 C ATOM 119 H ILE A 12 -23.264 39.972 23.381 1.00 0.00 H ATOM 120 N GLY A 13 -26.344 38.892 25.386 1.00 6.81 N ATOM 121 CA GLY A 13 -27.770 38.967 25.086 1.00 6.79 C ATOM 122 C GLY A 13 -28.112 38.343 23.750 1.00 7.39 C ATOM 123 O GLY A 13 -27.511 37.325 23.342 1.00 6.43 O ATOM 124 H GLY A 13 -26.011 38.176 26.063 1.00 0.00 H ATOM 125 N ASP A 14 -29.076 38.966 23.069 1.00 7.26 N ATOM 126 CA ASP A 14 -29.541 38.497 21.781 1.00 7.31 C ATOM 127 C ASP A 14 -28.581 39.058 20.731 1.00 7.16 C ATOM 128 O ASP A 14 -28.782 40.126 20.133 1.00 7.87 O ATOM 129 CB ASP A 14 -30.984 38.956 21.557 1.00 7.71 C ATOM 130 CG ASP A 14 -31.554 38.439 20.263 1.00 8.52 C ATOM 131 OD1 ASP A 14 -30.841 37.759 19.495 1.00 11.12 O ATOM 132 OD2 ASP A 14 -32.735 38.732 20.031 1.00 9.46 O ATOM 133 H ASP A 14 -29.508 39.819 23.478 1.00 0.00 H ATOM 134 N ARG A 15 -27.508 38.315 20.534 1.00 7.13 N ATOM 135 CA ARG A 15 -26.352 38.761 19.755 1.00 8.09 C ATOM 136 C ARG A 15 -26.738 39.015 18.322 1.00 9.27 C ATOM 137 O ARG A 15 -26.356 40.030 17.748 1.00 8.40 O ATOM 138 CB ARG A 15 -25.245 37.739 19.836 1.00 7.98 C ATOM 139 CG ARG A 15 -24.639 37.552 21.239 1.00 8.28 C ATOM 140 CD ARG A 15 -23.787 36.282 21.324 1.00 8.04 C ATOM 141 NE ARG A 15 -24.510 35.082 20.881 1.00 8.21 N ATOM 142 CZ ARG A 15 -23.964 33.908 20.537 1.00 9.01 C ATOM 143 NH1 ARG A 15 -22.639 33.693 20.605 1.00 9.27 N ATOM 144 NH2 ARG A 15 -24.751 32.904 20.130 1.00 9.01 N ATOM 145 HE ARG A 15 -25.546 35.151 20.829 1.00 0.00 H ATOM 146 HH12 ARG A 15 -22.247 32.770 20.330 1.00 0.00 H ATOM 147 HH11 ARG A 15 -22.005 34.450 20.932 1.00 0.00 H ATOM 148 HH22 ARG A 15 -24.332 31.991 19.862 1.00 0.00 H ATOM 149 HH21 ARG A 15 -25.781 33.038 20.082 1.00 0.00 H ATOM 150 H ARG A 15 -27.483 37.364 20.954 1.00 0.00 H ATOM 151 N GLU A 16 -27.522 38.097 17.753 1.00 9.68 N ATOM 152 CA GLU A 16 -27.906 38.270 16.341 1.00 12.07 C ATOM 153 C GLU A 16 -28.750 39.533 16.153 1.00 10.36 C ATOM 154 O GLU A 16 -28.537 40.275 15.185 1.00 10.64 O ATOM 155 CB GLU A 16 -28.631 37.047 15.783 1.00 15.03 C ATOM 156 CG GLU A 16 -28.627 37.094 14.248 1.00 19.72 C ATOM 157 CD GLU A 16 -29.348 35.920 13.592 1.00 26.76 C ATOM 158 OE1 GLU A 16 -29.802 34.999 14.300 1.00 30.22 O ATOM 159 OE2 GLU A 16 -29.461 35.940 12.358 1.00 34.60 O ATOM 160 H GLU A 16 -27.856 37.275 18.296 1.00 0.00 H ATOM 161 N SER A 17 -29.684 39.804 17.060 1.00 9.74 N ATOM 162 CA SER A 17 -30.500 41.010 16.958 1.00 11.05 C ATOM 163 C SER A 17 -29.658 42.283 17.049 1.00 11.61 C ATOM 164 O SER A 17 -29.901 43.249 16.306 1.00 11.57 O ATOM 165 CB SER A 17 -31.616 40.993 17.996 1.00 11.47 C ATOM 166 OG SER A 17 -32.476 42.107 17.866 1.00 11.78 O ATOM 167 HG SER A 17 -33.184 42.058 18.556 1.00 0.00 H ATOM 168 H SER A 17 -29.835 39.148 17.853 1.00 0.00 H ATOM 169 N GLN A 18 -28.684 42.269 17.944 1.00 11.20 N ATOM 170 CA GLN A 18 -27.830 43.435 18.141 1.00 14.06 C ATOM 171 C GLN A 18 -26.985 43.708 16.919 1.00 11.68 C ATOM 172 O GLN A 18 -26.836 44.862 16.523 1.00 12.97 O ATOM 173 CB GLN A 18 -27.016 43.282 19.391 1.00 15.78 C ATOM 174 CG GLN A 18 -27.965 43.438 20.623 1.00 18.82 C ATOM 175 CD GLN A 18 -27.356 42.925 21.895 1.00 21.49 C ATOM 176 OE1 GLN A 18 -27.702 43.350 22.982 1.00 27.45 O ATOM 177 NE2 GLN A 18 -26.445 42.018 21.763 1.00 21.84 N ATOM 178 HE22 GLN A 18 -26.179 41.682 20.815 1.00 0.00 H ATOM 179 HE21 GLN A 18 -25.978 41.624 22.604 1.00 0.00 H ATOM 180 H GLN A 18 -28.525 41.415 18.515 1.00 0.00 H ATOM 181 N LEU A 19 -26.479 42.656 16.293 1.00 10.25 N ATOM 182 CA LEU A 19 -25.695 42.808 15.068 1.00 10.46 C ATOM 183 C LEU A 19 -26.583 43.298 13.919 1.00 11.30 C ATOM 184 O LEU A 19 -26.165 44.170 13.178 1.00 11.26 O ATOM 185 CB LEU A 19 -25.019 41.512 14.694 1.00 10.66 C ATOM 186 CG LEU A 19 -23.897 41.069 15.666 1.00 11.69 C ATOM 187 CD1 LEU A 19 -23.434 39.693 15.311 1.00 11.98 C ATOM 188 CD2 LEU A 19 -22.736 42.049 15.644 1.00 12.82 C ATOM 189 H LEU A 19 -26.642 41.705 16.680 1.00 0.00 H ATOM 190 N ASN A 20 -27.786 42.745 13.797 1.00 10.44 N ATOM 191 CA ASN A 20 -28.720 43.191 12.763 1.00 13.30 C ATOM 192 C ASN A 20 -29.080 44.646 12.935 1.00 11.60 C ATOM 193 O ASN A 20 -29.120 45.387 11.959 1.00 11.08 O ATOM 194 CB ASN A 20 -30.024 42.380 12.787 1.00 17.60 C ATOM 195 CG ASN A 20 -29.850 40.965 12.268 1.00 27.60 C ATOM 196 OD1 ASN A 20 -28.870 40.636 11.568 1.00 37.15 O ATOM 197 ND2 ASN A 20 -30.830 40.108 12.590 1.00 36.07 N ATOM 198 HD22 ASN A 20 -31.628 40.427 13.176 1.00 0.00 H ATOM 199 HD21 ASN A 20 -30.792 39.125 12.254 1.00 0.00 H ATOM 200 H ASN A 20 -28.067 41.983 14.447 1.00 0.00 H ATOM 201 N ASP A 21 -29.340 45.059 14.164 1.00 10.67 N ATOM 202 CA ASP A 21 -29.697 46.459 14.429 1.00 11.42 C ATOM 203 C ASP A 21 -28.513 47.387 14.130 1.00 9.71 C ATOM 204 O ASP A 21 -28.717 48.477 13.570 1.00 10.00 O ATOM 205 CB ASP A 21 -30.135 46.670 15.866 1.00 13.97 C ATOM 206 CG ASP A 21 -31.531 46.131 16.148 1.00 16.98 C ATOM 207 OD1 ASP A 21 -32.241 45.675 15.229 1.00 18.60 O ATOM 208 OD2 ASP A 21 -31.925 46.189 17.320 1.00 19.01 O ATOM 209 H ASP A 21 -29.291 44.384 14.953 1.00 0.00 H ATOM 210 N ALA A 22 -27.301 46.952 14.480 1.00 9.13 N ATOM 211 CA ALA A 22 -26.088 47.723 14.209 1.00 8.97 C ATOM 212 C ALA A 22 -25.908 47.988 12.723 1.00 8.93 C ATOM 213 O ALA A 22 -25.569 49.111 12.336 1.00 9.15 O ATOM 214 CB ALA A 22 -24.857 47.013 14.729 1.00 10.16 C ATOM 215 H ALA A 22 -27.216 46.034 14.962 1.00 0.00 H ATOM 216 N ILE A 23 -26.103 46.952 11.924 1.00 8.99 N ATOM 217 CA ILE A 23 -26.040 47.092 10.458 1.00 10.13 C ATOM 218 C ILE A 23 -27.049 48.129 9.941 1.00 10.06 C ATOM 219 O ILE A 23 -26.697 49.007 9.125 1.00 10.87 O ATOM 220 CB ILE A 23 -26.203 45.738 9.748 1.00 10.79 C ATOM 221 CG1 ILE A 23 -24.994 44.871 10.079 1.00 12.18 C ATOM 222 CG2 ILE A 23 -26.221 45.933 8.215 1.00 11.93 C ATOM 223 CD1 ILE A 23 -25.162 43.418 9.740 1.00 12.99 C ATOM 224 H ILE A 23 -26.305 46.020 12.339 1.00 0.00 H ATOM 225 N LYS A 24 -28.294 48.036 10.404 1.00 9.91 N ATOM 226 CA LYS A 24 -29.318 49.023 10.046 1.00 11.39 C ATOM 227 C LYS A 24 -28.926 50.460 10.448 1.00 10.69 C ATOM 228 O LYS A 24 -29.053 51.396 9.668 1.00 9.88 O ATOM 229 CB LYS A 24 -30.667 48.651 10.698 1.00 14.29 C ATOM 230 CG LYS A 24 -31.274 47.385 10.129 1.00 20.38 C ATOM 231 CD LYS A 24 -32.810 47.411 10.131 1.00 28.21 C ATOM 232 CE LYS A 24 -33.376 46.377 9.157 1.00 32.73 C ATOM 233 NZ LYS A 24 -32.831 45.008 9.422 1.00 32.41 N ATOM 234 HZ1 LYS A 24 -31.796 45.022 9.319 1.00 0.00 H ATOM 235 HZ2 LYS A 24 -33.081 44.718 10.389 1.00 0.00 H ATOM 236 HZ3 LYS A 24 -33.239 44.336 8.741 1.00 0.00 H ATOM 237 H LYS A 24 -28.546 47.247 11.033 1.00 0.00 H ATOM 238 N ILE A 25 -28.425 50.614 11.662 1.00 10.36 N ATOM 239 CA ILE A 25 -28.025 51.932 12.173 1.00 10.25 C ATOM 240 C ILE A 25 -26.873 52.495 11.344 1.00 9.48 C ATOM 241 O ILE A 25 -26.910 53.672 10.965 1.00 9.47 O ATOM 242 CB ILE A 25 -27.657 51.872 13.665 1.00 10.44 C ATOM 243 CG1 ILE A 25 -28.923 51.646 14.478 1.00 11.38 C ATOM 244 CG2 ILE A 25 -27.019 53.168 14.152 1.00 11.16 C ATOM 245 CD1 ILE A 25 -28.666 51.145 15.876 1.00 12.70 C ATOM 246 H ILE A 25 -28.311 49.779 12.272 1.00 0.00 H ATOM 247 N LEU A 26 -25.871 51.663 11.071 1.00 9.38 N ATOM 248 CA LEU A 26 -24.719 52.093 10.251 1.00 9.44 C ATOM 249 C LEU A 26 -25.175 52.553 8.881 1.00 10.26 C ATOM 250 O LEU A 26 -24.783 53.624 8.397 1.00 9.95 O ATOM 251 CB LEU A 26 -23.705 50.970 10.105 1.00 9.56 C ATOM 252 CG LEU A 26 -22.881 50.772 11.383 1.00 9.68 C ATOM 253 CD1 LEU A 26 -22.257 49.406 11.369 1.00 10.09 C ATOM 254 CD2 LEU A 26 -21.824 51.866 11.462 1.00 10.50 C ATOM 255 H LEU A 26 -25.899 50.692 11.442 1.00 0.00 H ATOM 256 N ASN A 27 -26.068 51.779 8.288 1.00 10.11 N ATOM 257 CA ASN A 27 -26.583 52.130 6.964 1.00 11.96 C ATOM 258 C ASN A 27 -27.381 53.443 6.960 1.00 11.63 C ATOM 259 O ASN A 27 -27.476 54.123 5.938 1.00 11.90 O ATOM 260 CB ASN A 27 -27.429 50.978 6.400 1.00 12.44 C ATOM 261 CG ASN A 27 -27.718 51.160 4.925 1.00 13.89 C ATOM 262 OD1 ASN A 27 -26.805 51.262 4.123 1.00 12.33 O ATOM 263 ND2 ASN A 27 -29.005 51.328 4.581 1.00 13.33 N ATOM 264 HD22 ASN A 27 -29.752 51.232 5.298 1.00 0.00 H ATOM 265 HD21 ASN A 27 -29.255 51.555 3.597 1.00 0.00 H ATOM 266 H ASN A 27 -26.405 50.918 8.764 1.00 0.00 H ATOM 267 N GLU A 28 -27.992 53.792 8.087 1.00 12.74 N ATOM 268 CA GLU A 28 -28.840 55.000 8.180 1.00 14.28 C ATOM 269 C GLU A 28 -28.079 56.317 8.408 1.00 13.48 C ATOM 270 O GLU A 28 -28.651 57.372 8.198 1.00 13.68 O ATOM 271 CB GLU A 28 -29.919 54.812 9.255 1.00 16.55 C ATOM 272 CG GLU A 28 -30.998 53.862 8.786 1.00 21.10 C ATOM 273 CD GLU A 28 -32.018 53.479 9.864 1.00 26.74 C ATOM 274 OE1 GLU A 28 -31.731 53.542 11.095 1.00 27.84 O ATOM 275 OE2 GLU A 28 -33.126 53.084 9.446 1.00 33.73 O ATOM 276 H GLU A 28 -27.870 53.197 8.931 1.00 0.00 H ATOM 277 N TYR A 29 -26.811 56.273 8.803 1.00 11.47 N ATOM 278 CA TYR A 29 -26.012 57.484 8.917 1.00 11.42 C ATOM 279 C TYR A 29 -25.851 58.116 7.555 1.00 12.35 C ATOM 280 O TYR A 29 -25.699 57.419 6.556 1.00 11.30 O ATOM 281 CB TYR A 29 -24.600 57.198 9.443 1.00 11.77 C ATOM 282 CG TYR A 29 -24.571 56.782 10.887 1.00 13.01 C ATOM 283 CD1 TYR A 29 -24.992 57.654 11.891 1.00 14.87 C ATOM 284 CD2 TYR A 29 -24.116 55.535 11.250 1.00 13.17 C ATOM 285 CE1 TYR A 29 -24.975 57.272 13.223 1.00 15.49 C ATOM 286 CE2 TYR A 29 -24.086 55.146 12.578 1.00 13.90 C ATOM 287 CZ TYR A 29 -24.525 56.023 13.556 1.00 14.93 C ATOM 288 OH TYR A 29 -24.514 55.649 14.874 1.00 17.53 O ATOM 289 HH TYR A 29 -23.587 55.433 15.147 1.00 0.00 H ATOM 290 H TYR A 29 -26.381 55.355 9.035 1.00 0.00 H ATOM 291 N ASP A 30 -25.873 59.442 7.519 1.00 13.30 N ATOM 292 CA ASP A 30 -25.578 60.171 6.291 1.00 15.99 C ATOM 293 C ASP A 30 -24.086 59.981 6.017 1.00 15.08 C ATOM 294 O ASP A 30 -23.247 60.170 6.897 1.00 19.21 O ATOM 295 CB ASP A 30 -25.884 61.655 6.443 1.00 20.68 C ATOM 296 CG ASP A 30 -27.356 61.933 6.652 1.00 26.70 C ATOM 297 OD1 ASP A 30 -28.199 61.124 6.211 1.00 38.05 O ATOM 298 OD2 ASP A 30 -27.676 62.969 7.269 1.00 34.56 O ATOM 299 H ASP A 30 -26.105 59.972 8.383 1.00 0.00 H ATOM 300 N GLY A 31 -23.760 59.543 4.823 1.00 13.20 N ATOM 301 CA GLY A 31 -22.356 59.317 4.474 1.00 12.05 C ATOM 302 C GLY A 31 -21.866 57.893 4.649 1.00 11.50 C ATOM 303 O GLY A 31 -20.703 57.639 4.387 1.00 11.10 O ATOM 304 H GLY A 31 -24.504 59.355 4.121 1.00 0.00 H ATOM 305 N ILE A 32 -22.724 56.970 5.095 1.00 9.70 N ATOM 306 CA ILE A 32 -22.363 55.520 5.112 1.00 10.26 C ATOM 307 C ILE A 32 -23.449 54.760 4.369 1.00 10.54 C ATOM 308 O ILE A 32 -24.632 54.955 4.646 1.00 10.04 O ATOM 309 CB ILE A 32 -22.256 54.950 6.533 1.00 10.07 C ATOM 310 CG1 ILE A 32 -21.132 55.634 7.293 1.00 10.39 C ATOM 311 CG2 ILE A 32 -22.065 53.412 6.506 1.00 9.81 C ATOM 312 CD1 ILE A 32 -21.062 55.283 8.762 1.00 10.87 C ATOM 313 H ILE A 32 -23.660 57.267 5.437 1.00 0.00 H ATOM 314 N SER A 33 -23.043 53.873 3.472 1.00 10.61 N ATOM 315 CA SER A 33 -23.937 52.854 2.922 1.00 11.74 C ATOM 316 C SER A 33 -23.327 51.493 3.098 1.00 9.98 C ATOM 317 O SER A 33 -22.194 51.299 2.729 1.00 10.07 O ATOM 318 CB SER A 33 -24.157 53.076 1.436 1.00 12.49 C ATOM 319 OG SER A 33 -24.854 54.282 1.258 1.00 18.45 O ATOM 320 HG SER A 33 -25.726 54.229 1.723 1.00 0.00 H ATOM 321 H SER A 33 -22.055 53.902 3.148 1.00 0.00 H ATOM 322 N VAL A 34 -24.065 50.553 3.659 1.00 9.20 N ATOM 323 CA VAL A 34 -23.590 49.194 3.785 1.00 8.69 C ATOM 324 C VAL A 34 -23.749 48.537 2.412 1.00 9.07 C ATOM 325 O VAL A 34 -24.872 48.488 1.863 1.00 9.56 O ATOM 326 CB VAL A 34 -24.388 48.429 4.837 1.00 9.41 C ATOM 327 CG1 VAL A 34 -24.035 46.936 4.814 1.00 9.94 C ATOM 328 CG2 VAL A 34 -24.124 49.016 6.225 1.00 10.33 C ATOM 329 H VAL A 34 -25.010 50.796 4.019 1.00 0.00 H ATOM 330 N SER A 35 -22.648 48.074 1.838 1.00 7.92 N ATOM 331 CA SER A 35 -22.644 47.565 0.469 1.00 8.32 C ATOM 332 C SER A 35 -22.426 46.025 0.359 1.00 8.27 C ATOM 333 O SER A 35 -22.613 45.464 -0.735 1.00 10.37 O ATOM 334 CB SER A 35 -21.609 48.289 -0.362 1.00 8.63 C ATOM 335 OG SER A 35 -20.325 48.278 0.211 1.00 8.63 O ATOM 336 HG SER A 35 -20.020 47.342 0.317 1.00 0.00 H ATOM 337 H SER A 35 -21.760 48.073 2.379 1.00 0.00 H ATOM 338 N ASN A 36 -21.996 45.402 1.441 1.00 7.53 N ATOM 339 CA ASN A 36 -21.800 43.944 1.493 1.00 8.24 C ATOM 340 C ASN A 36 -21.777 43.453 2.907 1.00 9.45 C ATOM 341 O ASN A 36 -21.245 44.123 3.792 1.00 9.02 O ATOM 342 CB ASN A 36 -20.535 43.532 0.700 1.00 7.94 C ATOM 343 CG ASN A 36 -20.679 42.156 0.030 1.00 8.48 C ATOM 344 OD1 ASN A 36 -21.780 41.562 -0.007 1.00 9.92 O ATOM 345 ND2 ASN A 36 -19.567 41.654 -0.506 1.00 8.41 N ATOM 346 HD22 ASN A 36 -18.676 42.187 -0.449 1.00 0.00 H ATOM 347 HD21 ASN A 36 -19.590 40.729 -0.981 1.00 0.00 H ATOM 348 H ASN A 36 -21.787 45.964 2.291 1.00 0.00 H ATOM 349 N ILE A 37 -22.387 42.283 3.145 1.00 8.85 N ATOM 350 CA ILE A 37 -22.466 41.691 4.483 1.00 9.05 C ATOM 351 C ILE A 37 -21.974 40.256 4.452 1.00 8.52 C ATOM 352 O ILE A 37 -22.463 39.449 3.646 1.00 8.03 O ATOM 353 CB ILE A 37 -23.938 41.682 4.967 1.00 10.79 C ATOM 354 CG1 ILE A 37 -24.504 43.102 4.959 1.00 11.61 C ATOM 355 CG2 ILE A 37 -24.052 41.105 6.379 1.00 11.36 C ATOM 356 CD1 ILE A 37 -25.991 43.150 5.100 1.00 11.95 C ATOM 357 H ILE A 37 -22.821 41.775 2.348 1.00 0.00 H ATOM 358 N SER A 38 -21.050 39.928 5.345 1.00 7.93 N ATOM 359 CA SER A 38 -20.539 38.559 5.413 1.00 7.74 C ATOM 360 C SER A 38 -21.516 37.646 6.151 1.00 7.80 C ATOM 361 O SER A 38 -22.422 38.122 6.843 1.00 7.24 O ATOM 362 CB SER A 38 -19.194 38.533 6.145 1.00 8.38 C ATOM 363 OG SER A 38 -19.361 38.580 7.578 1.00 7.61 O ATOM 364 HG SER A 38 -19.891 37.797 7.873 1.00 0.00 H ATOM 365 H SER A 38 -20.686 40.649 6.001 1.00 0.00 H ATOM 366 N PRO A 39 -21.293 36.318 6.051 1.00 7.38 N ATOM 367 CA PRO A 39 -21.929 35.392 6.979 1.00 8.06 C ATOM 368 C PRO A 39 -21.495 35.672 8.418 1.00 8.67 C ATOM 369 O PRO A 39 -20.435 36.282 8.668 1.00 7.93 O ATOM 370 CB PRO A 39 -21.429 34.019 6.513 1.00 7.82 C ATOM 371 CG PRO A 39 -20.931 34.220 5.121 1.00 8.15 C ATOM 372 CD PRO A 39 -20.417 35.619 5.089 1.00 7.56 C ATOM 373 N ILE A 40 -22.343 35.209 9.344 1.00 8.84 N ATOM 374 CA ILE A 40 -22.091 35.332 10.767 1.00 10.34 C ATOM 375 C ILE A 40 -21.435 34.038 11.259 1.00 9.20 C ATOM 376 O ILE A 40 -21.806 32.906 10.848 1.00 8.06 O ATOM 377 CB ILE A 40 -23.376 35.589 11.573 1.00 13.00 C ATOM 378 CG1 ILE A 40 -24.047 36.891 11.141 1.00 17.42 C ATOM 379 CG2 ILE A 40 -23.039 35.637 13.067 1.00 14.79 C ATOM 380 CD1 ILE A 40 -25.363 37.194 11.852 1.00 18.98 C ATOM 381 H ILE A 40 -23.218 34.742 9.031 1.00 0.00 H ATOM 382 N TYR A 41 -20.457 34.216 12.130 1.00 8.51 N ATOM 383 CA TYR A 41 -19.712 33.115 12.729 1.00 8.24 C ATOM 384 C TYR A 41 -19.847 33.175 14.242 1.00 8.18 C ATOM 385 O TYR A 41 -19.874 34.280 14.796 1.00 8.76 O ATOM 386 CB TYR A 41 -18.237 33.184 12.328 1.00 8.45 C ATOM 387 CG TYR A 41 -18.016 32.862 10.880 1.00 8.15 C ATOM 388 CD1 TYR A 41 -18.142 33.851 9.912 1.00 8.41 C ATOM 389 CD2 TYR A 41 -17.799 31.547 10.454 1.00 8.52 C ATOM 390 CE1 TYR A 41 -17.992 33.548 8.576 1.00 8.82 C ATOM 391 CE2 TYR A 41 -17.648 31.253 9.105 1.00 8.67 C ATOM 392 CZ TYR A 41 -17.752 32.262 8.180 1.00 8.91 C ATOM 393 OH TYR A 41 -17.623 31.964 6.847 1.00 9.34 O ATOM 394 HH TYR A 41 -17.722 32.792 6.314 1.00 0.00 H ATOM 395 H TYR A 41 -20.207 35.188 12.401 1.00 0.00 H ATOM 396 N GLU A 42 -20.020 32.024 14.877 1.00 8.29 N ATOM 397 CA GLU A 42 -19.897 31.929 16.332 1.00 8.93 C ATOM 398 C GLU A 42 -18.444 31.570 16.659 1.00 8.67 C ATOM 399 O GLU A 42 -17.886 30.635 16.120 1.00 8.23 O ATOM 400 CB GLU A 42 -20.852 30.895 16.906 1.00 10.83 C ATOM 401 CG GLU A 42 -20.866 30.961 18.416 1.00 11.10 C ATOM 402 CD GLU A 42 -22.045 30.318 19.067 1.00 12.65 C ATOM 403 OE1 GLU A 42 -22.391 29.181 18.673 1.00 14.16 O ATOM 404 OE2 GLU A 42 -22.590 30.933 19.984 1.00 11.72 O ATOM 405 H GLU A 42 -20.248 31.170 14.329 1.00 0.00 H ATOM 406 N THR A 43 -17.834 32.343 17.548 1.00 8.77 N ATOM 407 CA THR A 43 -16.380 32.307 17.763 1.00 9.33 C ATOM 408 C THR A 43 -16.101 32.241 19.264 1.00 9.38 C ATOM 409 O THR A 43 -16.737 32.932 20.091 1.00 10.33 O ATOM 410 CB THR A 43 -15.717 33.512 17.088 1.00 8.96 C ATOM 411 OG1 THR A 43 -16.212 34.703 17.681 1.00 9.37 O ATOM 412 CG2 THR A 43 -16.138 33.565 15.590 1.00 8.89 C ATOM 413 HG1 THR A 43 -15.788 35.486 17.249 1.00 0.00 H ATOM 414 H THR A 43 -18.407 33.000 18.115 1.00 0.00 H ATOM 415 N ALA A 44 -15.160 31.372 19.619 1.00 10.08 N ATOM 416 CA ALA A 44 -14.718 31.263 21.000 1.00 9.47 C ATOM 417 C ALA A 44 -14.039 32.605 21.373 1.00 8.81 C ATOM 418 O ALA A 44 -13.357 33.181 20.550 1.00 9.00 O ATOM 419 CB ALA A 44 -13.750 30.116 21.176 1.00 10.59 C ATOM 420 H ALA A 44 -14.732 30.759 18.896 1.00 0.00 H ATOM 421 N PRO A 45 -14.245 33.099 22.587 1.00 9.41 N ATOM 422 CA PRO A 45 -13.614 34.381 22.936 1.00 9.19 C ATOM 423 C PRO A 45 -12.080 34.238 22.932 1.00 9.63 C ATOM 424 O PRO A 45 -11.571 33.224 23.433 1.00 8.60 O ATOM 425 CB PRO A 45 -14.082 34.635 24.387 1.00 9.60 C ATOM 426 CG PRO A 45 -14.629 33.343 24.869 1.00 11.99 C ATOM 427 CD PRO A 45 -15.019 32.535 23.691 1.00 10.36 C ATOM 428 N VAL A 46 -11.412 35.250 22.395 1.00 9.34 N ATOM 429 CA VAL A 46 -9.943 35.337 22.245 1.00 9.79 C ATOM 430 C VAL A 46 -9.459 36.363 23.270 1.00 10.47 C ATOM 431 O VAL A 46 -10.082 37.413 23.429 1.00 8.80 O ATOM 432 CB VAL A 46 -9.535 35.722 20.819 1.00 11.19 C ATOM 433 CG1 VAL A 46 -8.035 35.598 20.651 1.00 12.72 C ATOM 434 CG2 VAL A 46 -10.199 34.792 19.796 1.00 11.93 C ATOM 435 H VAL A 46 -11.971 36.055 22.048 1.00 0.00 H ATOM 436 N GLY A 47 -8.379 36.025 23.968 1.00 10.63 N ATOM 437 CA GLY A 47 -7.780 36.925 24.948 1.00 11.62 C ATOM 438 C GLY A 47 -8.280 36.484 26.274 1.00 11.67 C ATOM 439 O GLY A 47 -7.790 35.489 26.827 1.00 12.23 O ATOM 440 H GLY A 47 -7.948 35.091 23.811 1.00 0.00 H ATOM 441 N TYR A 48 -9.272 37.197 26.833 1.00 10.64 N ATOM 442 CA TYR A 48 -9.908 36.764 28.057 1.00 11.32 C ATOM 443 C TYR A 48 -10.903 35.684 27.671 1.00 12.15 C ATOM 444 O TYR A 48 -11.921 35.973 27.072 1.00 10.17 O ATOM 445 CB TYR A 48 -10.643 37.914 28.736 1.00 13.47 C ATOM 446 CG TYR A 48 -11.224 37.536 30.069 1.00 16.03 C ATOM 447 CD1 TYR A 48 -10.442 36.906 31.030 1.00 16.93 C ATOM 448 CD2 TYR A 48 -12.588 37.748 30.349 1.00 18.26 C ATOM 449 CE1 TYR A 48 -10.966 36.534 32.242 1.00 21.23 C ATOM 450 CE2 TYR A 48 -13.117 37.376 31.571 1.00 21.11 C ATOM 451 CZ TYR A 48 -12.288 36.775 32.513 1.00 21.30 C ATOM 452 OH TYR A 48 -12.751 36.383 33.738 1.00 28.51 O ATOM 453 HH TYR A 48 -12.010 35.980 34.256 1.00 0.00 H ATOM 454 H TYR A 48 -9.588 38.077 26.377 1.00 0.00 H ATOM 455 N THR A 49 -10.552 34.438 27.950 1.00 13.82 N ATOM 456 CA THR A 49 -11.316 33.341 27.374 1.00 14.72 C ATOM 457 C THR A 49 -12.555 32.986 28.242 1.00 15.81 C ATOM 458 O THR A 49 -13.395 32.208 27.765 1.00 20.26 O ATOM 459 CB THR A 49 -10.457 32.096 27.171 1.00 14.25 C ATOM 460 OG1 THR A 49 -9.803 31.778 28.395 1.00 14.56 O ATOM 461 CG2 THR A 49 -9.453 32.271 26.052 1.00 15.33 C ATOM 462 HG1 THR A 49 -10.481 31.605 29.095 1.00 0.00 H ATOM 463 H THR A 49 -9.741 34.246 28.572 1.00 0.00 H ATOM 464 N GLU A 50 -12.690 33.525 29.458 1.00 15.60 N ATOM 465 CA GLU A 50 -13.742 33.160 30.405 1.00 16.39 C ATOM 466 C GLU A 50 -14.973 34.125 30.405 1.00 15.11 C ATOM 467 O GLU A 50 -15.392 34.684 31.392 1.00 15.78 O ATOM 468 CB GLU A 50 -13.177 32.902 31.832 1.00 21.04 C ATOM 469 CG GLU A 50 -11.881 32.063 31.877 1.00 19.59 C ATOM 470 CD GLU A 50 -11.993 30.716 31.158 1.00 22.64 C ATOM 471 OE1 GLU A 50 -12.683 29.800 31.659 1.00 23.52 O ATOM 472 OE2 GLU A 50 -11.377 30.534 30.096 1.00 22.88 O ATOM 473 H GLU A 50 -12.003 34.250 29.749 1.00 0.00 H ATOM 474 N GLN A 51 -15.538 34.297 29.218 1.00 12.23 N ATOM 475 CA GLN A 51 -16.650 35.201 28.977 1.00 10.43 C ATOM 476 C GLN A 51 -17.462 34.558 27.845 1.00 8.82 C ATOM 477 O GLN A 51 -17.019 33.573 27.288 1.00 8.86 O ATOM 478 CB GLN A 51 -16.145 36.577 28.538 1.00 10.51 C ATOM 479 CG GLN A 51 -15.371 36.608 27.234 1.00 10.13 C ATOM 480 CD GLN A 51 -15.011 38.014 26.784 1.00 11.93 C ATOM 481 OE1 GLN A 51 -15.860 38.904 26.710 1.00 10.08 O ATOM 482 NE2 GLN A 51 -13.762 38.205 26.429 1.00 11.55 N ATOM 483 HE22 GLN A 51 -13.075 37.428 26.506 1.00 0.00 H ATOM 484 HE21 GLN A 51 -13.459 39.133 26.070 1.00 0.00 H ATOM 485 H GLN A 51 -15.164 33.754 28.414 1.00 0.00 H ATOM 486 N PRO A 52 -18.610 35.155 27.449 1.00 8.18 N ATOM 487 CA PRO A 52 -19.447 34.388 26.517 1.00 7.62 C ATOM 488 C PRO A 52 -18.891 34.330 25.090 1.00 7.92 C ATOM 489 O PRO A 52 -18.128 35.199 24.678 1.00 7.67 O ATOM 490 CB PRO A 52 -20.775 35.171 26.497 1.00 8.31 C ATOM 491 CG PRO A 52 -20.795 35.859 27.831 1.00 8.64 C ATOM 492 CD PRO A 52 -19.382 36.216 28.114 1.00 8.57 C ATOM 493 N ASN A 53 -19.299 33.294 24.384 1.00 7.54 N ATOM 494 CA ASN A 53 -18.965 33.148 22.969 1.00 7.82 C ATOM 495 C ASN A 53 -19.508 34.307 22.181 1.00 7.66 C ATOM 496 O ASN A 53 -20.605 34.773 22.434 1.00 6.83 O ATOM 497 CB ASN A 53 -19.540 31.841 22.406 1.00 8.65 C ATOM 498 CG ASN A 53 -19.011 30.641 23.104 1.00 10.48 C ATOM 499 OD1 ASN A 53 -17.807 30.547 23.336 1.00 12.51 O ATOM 500 ND2 ASN A 53 -19.898 29.719 23.479 1.00 9.99 N ATOM 501 HD22 ASN A 53 -20.906 29.847 23.258 1.00 0.00 H ATOM 502 HD21 ASN A 53 -19.582 28.872 23.993 1.00 0.00 H ATOM 503 H ASN A 53 -19.874 32.561 24.847 1.00 0.00 H ATOM 504 N PHE A 54 -18.758 34.740 21.165 1.00 6.88 N ATOM 505 CA PHE A 54 -19.133 35.847 20.326 1.00 7.03 C ATOM 506 C PHE A 54 -19.883 35.388 19.066 1.00 7.28 C ATOM 507 O PHE A 54 -19.687 34.281 18.598 1.00 7.23 O ATOM 508 CB PHE A 54 -17.876 36.571 19.827 1.00 7.66 C ATOM 509 CG PHE A 54 -17.195 37.430 20.882 1.00 7.31 C ATOM 510 CD1 PHE A 54 -16.404 36.845 21.890 1.00 8.08 C ATOM 511 CD2 PHE A 54 -17.335 38.822 20.879 1.00 8.48 C ATOM 512 CE1 PHE A 54 -15.758 37.664 22.858 1.00 8.16 C ATOM 513 CE2 PHE A 54 -16.693 39.618 21.816 1.00 8.79 C ATOM 514 CZ PHE A 54 -15.920 39.036 22.827 1.00 8.55 C ATOM 515 H PHE A 54 -17.859 34.254 20.971 1.00 0.00 H ATOM 516 N LEU A 55 -20.679 36.282 18.531 1.00 6.71 N ATOM 517 CA LEU A 55 -20.990 36.287 17.087 1.00 7.43 C ATOM 518 C LEU A 55 -20.147 37.392 16.475 1.00 7.81 C ATOM 519 O LEU A 55 -20.023 38.492 17.026 1.00 8.67 O ATOM 520 CB LEU A 55 -22.481 36.507 16.804 1.00 7.39 C ATOM 521 CG LEU A 55 -23.438 35.463 17.343 1.00 7.29 C ATOM 522 CD1 LEU A 55 -24.831 35.706 16.800 1.00 7.82 C ATOM 523 CD2 LEU A 55 -22.932 34.072 17.031 1.00 7.34 C ATOM 524 H LEU A 55 -21.104 37.009 19.141 1.00 0.00 H ATOM 525 N ASN A 56 -19.559 37.090 15.329 1.00 8.38 N ATOM 526 CA ASN A 56 -18.744 38.041 14.581 1.00 7.54 C ATOM 527 C ASN A 56 -19.120 37.997 13.111 1.00 7.86 C ATOM 528 O ASN A 56 -19.460 36.936 12.573 1.00 7.39 O ATOM 529 CB ASN A 56 -17.222 37.704 14.674 1.00 8.32 C ATOM 530 CG ASN A 56 -16.589 38.090 16.007 1.00 7.98 C ATOM 531 OD1 ASN A 56 -16.212 37.222 16.799 1.00 7.90 O ATOM 532 ND2 ASN A 56 -16.453 39.370 16.261 1.00 9.26 N ATOM 533 HD22 ASN A 56 -16.782 40.075 15.571 1.00 0.00 H ATOM 534 HD21 ASN A 56 -16.016 39.680 17.153 1.00 0.00 H ATOM 535 H ASN A 56 -19.683 36.132 14.944 1.00 0.00 H ATOM 536 N LEU A 57 -19.009 39.150 12.468 1.00 7.86 N ATOM 537 CA LEU A 57 -19.150 39.280 11.015 1.00 9.42 C ATOM 538 C LEU A 57 -18.353 40.473 10.553 1.00 9.39 C ATOM 539 O LEU A 57 -17.777 41.211 11.367 1.00 8.85 O ATOM 540 CB LEU A 57 -20.620 39.389 10.594 1.00 10.64 C ATOM 541 CG LEU A 57 -21.427 40.554 11.162 1.00 13.77 C ATOM 542 CD1 LEU A 57 -21.099 41.869 10.480 1.00 17.02 C ATOM 543 CD2 LEU A 57 -22.919 40.321 11.062 1.00 21.72 C ATOM 544 H LEU A 57 -18.812 40.007 13.023 1.00 0.00 H ATOM 545 N CYS A 58 -18.312 40.661 9.249 1.00 9.03 N ATOM 546 CA CYS A 58 -17.702 41.845 8.652 1.00 9.24 C ATOM 547 C CYS A 58 -18.685 42.442 7.668 1.00 8.50 C ATOM 548 O CYS A 58 -19.492 41.735 7.044 1.00 8.01 O ATOM 549 CB CYS A 58 -16.400 41.492 7.896 1.00 9.93 C ATOM 550 SG CYS A 58 -15.083 40.868 8.957 1.00 11.38 S ATOM 551 H CYS A 58 -18.728 39.941 8.624 1.00 0.00 H ATOM 552 N VAL A 59 -18.611 43.761 7.514 1.00 9.02 N ATOM 553 CA VAL A 59 -19.400 44.454 6.517 1.00 9.49 C ATOM 554 C VAL A 59 -18.468 45.338 5.672 1.00 9.09 C ATOM 555 O VAL A 59 -17.467 45.864 6.153 1.00 9.44 O ATOM 556 CB VAL A 59 -20.582 45.295 7.075 1.00 11.38 C ATOM 557 CG1 VAL A 59 -21.557 44.390 7.814 1.00 12.21 C ATOM 558 CG2 VAL A 59 -20.095 46.403 7.938 1.00 11.60 C ATOM 559 H VAL A 59 -17.971 44.308 8.124 1.00 0.00 H ATOM 560 N GLU A 60 -18.823 45.460 4.397 1.00 8.30 N ATOM 561 CA GLU A 60 -18.269 46.480 3.526 1.00 8.07 C ATOM 562 C GLU A 60 -19.174 47.696 3.550 1.00 8.28 C ATOM 563 O GLU A 60 -20.383 47.588 3.494 1.00 8.36 O ATOM 564 CB GLU A 60 -18.206 45.965 2.075 1.00 8.24 C ATOM 565 CG GLU A 60 -17.524 46.852 1.063 1.00 8.45 C ATOM 566 CD GLU A 60 -17.686 46.282 -0.336 1.00 9.78 C ATOM 567 OE1 GLU A 60 -18.745 46.505 -0.922 1.00 10.76 O ATOM 568 OE2 GLU A 60 -16.766 45.582 -0.796 1.00 10.19 O ATOM 569 H GLU A 60 -19.525 44.799 4.008 1.00 0.00 H ATOM 570 N ILE A 61 -18.570 48.863 3.637 1.00 7.32 N ATOM 571 CA ILE A 61 -19.304 50.088 3.467 1.00 7.65 C ATOM 572 C ILE A 61 -18.691 50.956 2.380 1.00 7.71 C ATOM 573 O ILE A 61 -17.505 50.848 2.064 1.00 7.43 O ATOM 574 CB ILE A 61 -19.376 50.914 4.774 1.00 7.61 C ATOM 575 CG1 ILE A 61 -17.978 51.393 5.222 1.00 8.12 C ATOM 576 CG2 ILE A 61 -20.101 50.114 5.853 1.00 8.47 C ATOM 577 CD1 ILE A 61 -18.091 52.298 6.448 1.00 8.68 C ATOM 578 H ILE A 61 -17.549 48.899 3.831 1.00 0.00 H ATOM 579 N GLN A 62 -19.521 51.835 1.835 1.00 8.46 N ATOM 580 CA GLN A 62 -19.084 52.929 0.981 1.00 9.15 C ATOM 581 C GLN A 62 -19.335 54.200 1.788 1.00 9.55 C ATOM 582 O GLN A 62 -20.443 54.425 2.277 1.00 9.70 O ATOM 583 CB GLN A 62 -19.880 52.949 -0.308 1.00 10.15 C ATOM 584 CG GLN A 62 -19.863 51.651 -1.102 1.00 10.80 C ATOM 585 CD GLN A 62 -18.478 51.188 -1.475 1.00 13.24 C ATOM 586 OE1 GLN A 62 -17.614 51.987 -1.878 1.00 14.82 O ATOM 587 NE2 GLN A 62 -18.234 49.894 -1.331 1.00 14.62 N ATOM 588 HE22 GLN A 62 -18.984 49.258 -0.991 1.00 0.00 H ATOM 589 HE21 GLN A 62 -17.293 49.514 -1.558 1.00 0.00 H ATOM 590 H GLN A 62 -20.538 51.737 2.028 1.00 0.00 H ATOM 591 N THR A 63 -18.323 55.055 1.929 1.00 9.26 N ATOM 592 CA THR A 63 -18.472 56.176 2.845 1.00 8.83 C ATOM 593 C THR A 63 -17.819 57.437 2.280 1.00 8.61 C ATOM 594 O THR A 63 -16.825 57.374 1.554 1.00 7.78 O ATOM 595 CB THR A 63 -17.931 55.845 4.276 1.00 9.07 C ATOM 596 OG1 THR A 63 -18.256 56.914 5.160 1.00 9.75 O ATOM 597 CG2 THR A 63 -16.464 55.667 4.307 1.00 8.95 C ATOM 598 HG1 THR A 63 -19.239 57.025 5.194 1.00 0.00 H ATOM 599 H THR A 63 -17.441 54.924 1.393 1.00 0.00 H ATOM 600 N THR A 64 -18.437 58.567 2.607 1.00 8.79 N ATOM 601 CA THR A 64 -17.866 59.881 2.347 1.00 9.37 C ATOM 602 C THR A 64 -17.301 60.496 3.643 1.00 9.73 C ATOM 603 O THR A 64 -16.832 61.660 3.626 1.00 10.01 O ATOM 604 CB THR A 64 -18.923 60.827 1.753 1.00 10.14 C ATOM 605 OG1 THR A 64 -20.026 60.939 2.671 1.00 10.22 O ATOM 606 CG2 THR A 64 -19.426 60.335 0.387 1.00 9.95 C ATOM 607 HG1 THR A 64 -20.709 61.547 2.292 1.00 0.00 H ATOM 608 H THR A 64 -19.368 58.511 3.068 1.00 0.00 H ATOM 609 N LEU A 65 -17.343 59.759 4.754 1.00 9.24 N ATOM 610 CA LEU A 65 -16.861 60.265 6.026 1.00 9.63 C ATOM 611 C LEU A 65 -15.344 60.130 6.043 1.00 10.00 C ATOM 612 O LEU A 65 -14.774 59.189 5.428 1.00 9.65 O ATOM 613 CB LEU A 65 -17.454 59.487 7.186 1.00 11.11 C ATOM 614 CG LEU A 65 -18.990 59.575 7.263 1.00 11.21 C ATOM 615 CD1 LEU A 65 -19.454 58.717 8.415 1.00 12.14 C ATOM 616 CD2 LEU A 65 -19.442 61.029 7.362 1.00 13.01 C ATOM 617 H LEU A 65 -17.732 58.796 4.707 1.00 0.00 H ATOM 618 N THR A 66 -14.720 61.041 6.778 1.00 9.04 N ATOM 619 CA THR A 66 -13.316 60.900 7.146 1.00 9.51 C ATOM 620 C THR A 66 -13.148 59.712 8.064 1.00 9.17 C ATOM 621 O THR A 66 -14.123 59.222 8.634 1.00 8.13 O ATOM 622 CB THR A 66 -12.756 62.145 7.856 1.00 9.94 C ATOM 623 OG1 THR A 66 -13.283 62.209 9.188 1.00 9.47 O ATOM 624 CG2 THR A 66 -13.067 63.403 7.061 1.00 10.11 C ATOM 625 HG1 THR A 66 -12.923 63.010 9.646 1.00 0.00 H ATOM 626 H THR A 66 -15.246 61.878 7.100 1.00 0.00 H ATOM 627 N VAL A 67 -11.918 59.227 8.218 1.00 8.79 N ATOM 628 CA VAL A 67 -11.694 58.087 9.097 1.00 10.09 C ATOM 629 C VAL A 67 -12.066 58.389 10.570 1.00 10.40 C ATOM 630 O VAL A 67 -12.592 57.516 11.286 1.00 10.76 O ATOM 631 CB VAL A 67 -10.259 57.480 8.929 1.00 10.10 C ATOM 632 CG1 VAL A 67 -9.209 58.353 9.601 1.00 11.07 C ATOM 633 CG2 VAL A 67 -10.215 56.038 9.444 1.00 10.64 C ATOM 634 H VAL A 67 -11.119 59.661 7.712 1.00 0.00 H ATOM 635 N LEU A 68 -11.844 59.635 11.006 1.00 9.94 N ATOM 636 CA LEU A 68 -12.204 60.037 12.350 1.00 11.09 C ATOM 637 C LEU A 68 -13.731 60.130 12.516 1.00 10.74 C ATOM 638 O LEU A 68 -14.261 59.703 13.559 1.00 10.65 O ATOM 639 CB LEU A 68 -11.533 61.360 12.733 1.00 12.51 C ATOM 640 CG LEU A 68 -9.987 61.404 12.777 1.00 14.76 C ATOM 641 CD1 LEU A 68 -9.479 62.822 12.987 1.00 14.79 C ATOM 642 CD2 LEU A 68 -9.489 60.488 13.886 1.00 17.14 C ATOM 643 H LEU A 68 -11.404 60.328 10.367 1.00 0.00 H ATOM 644 N GLN A 69 -14.420 60.654 11.493 1.00 10.30 N ATOM 645 CA GLN A 69 -15.903 60.685 11.503 1.00 9.90 C ATOM 646 C GLN A 69 -16.480 59.289 11.502 1.00 9.93 C ATOM 647 O GLN A 69 -17.446 59.026 12.216 1.00 9.02 O ATOM 648 CB GLN A 69 -16.463 61.449 10.325 1.00 10.39 C ATOM 649 CG GLN A 69 -16.177 62.945 10.322 1.00 10.82 C ATOM 650 CD GLN A 69 -16.585 63.601 9.021 1.00 11.04 C ATOM 651 OE1 GLN A 69 -16.483 63.044 7.937 1.00 9.69 O ATOM 652 NE2 GLN A 69 -17.038 64.814 9.129 1.00 14.37 N ATOM 653 HE22 GLN A 69 -17.113 65.260 10.066 1.00 0.00 H ATOM 654 HE21 GLN A 69 -17.326 65.339 8.279 1.00 0.00 H ATOM 655 H GLN A 69 -13.906 61.046 10.678 1.00 0.00 H ATOM 656 N LEU A 70 -15.883 58.395 10.705 1.00 9.31 N ATOM 657 CA LEU A 70 -16.259 56.995 10.712 1.00 8.92 C ATOM 658 C LEU A 70 -16.100 56.377 12.076 1.00 9.08 C ATOM 659 O LEU A 70 -17.017 55.689 12.532 1.00 10.00 O ATOM 660 CB LEU A 70 -15.472 56.216 9.637 1.00 9.24 C ATOM 661 CG LEU A 70 -15.801 54.725 9.561 1.00 10.27 C ATOM 662 CD1 LEU A 70 -17.268 54.496 9.234 1.00 11.39 C ATOM 663 CD2 LEU A 70 -14.885 54.087 8.532 1.00 10.92 C ATOM 664 H LEU A 70 -15.129 58.713 10.063 1.00 0.00 H ATOM 665 N LEU A 71 -14.977 56.601 12.757 1.00 9.24 N ATOM 666 CA LEU A 71 -14.781 56.096 14.109 1.00 10.34 C ATOM 667 C LEU A 71 -15.874 56.600 15.064 1.00 9.83 C ATOM 668 O LEU A 71 -16.418 55.810 15.832 1.00 11.26 O ATOM 669 CB LEU A 71 -13.410 56.470 14.693 1.00 10.94 C ATOM 670 CG LEU A 71 -13.178 55.923 16.137 1.00 11.23 C ATOM 671 CD1 LEU A 71 -13.113 54.405 16.162 1.00 12.56 C ATOM 672 CD2 LEU A 71 -11.906 56.563 16.716 1.00 12.02 C ATOM 673 H LEU A 71 -14.218 57.153 12.310 1.00 0.00 H ATOM 674 N GLU A 72 -16.216 57.886 14.974 1.00 9.93 N ATOM 675 CA GLU A 72 -17.297 58.449 15.795 1.00 11.14 C ATOM 676 C GLU A 72 -18.602 57.702 15.525 1.00 10.49 C ATOM 677 O GLU A 72 -19.324 57.340 16.494 1.00 10.68 O ATOM 678 CB GLU A 72 -17.508 59.950 15.525 1.00 13.70 C ATOM 679 CG GLU A 72 -16.374 60.867 15.910 1.00 18.46 C ATOM 680 CD GLU A 72 -16.522 62.254 15.228 1.00 23.05 C ATOM 681 OE1 GLU A 72 -17.668 62.765 15.172 1.00 27.81 O ATOM 682 OE2 GLU A 72 -15.519 62.818 14.705 1.00 31.05 O ATOM 683 H GLU A 72 -15.707 58.503 14.309 1.00 0.00 H ATOM 684 N CYS A 73 -18.905 57.428 14.257 1.00 9.41 N ATOM 685 CA CYS A 73 -20.131 56.689 13.932 1.00 10.70 C ATOM 686 C CYS A 73 -20.126 55.270 14.511 1.00 10.59 C ATOM 687 O CYS A 73 -21.163 54.801 14.969 1.00 9.72 O ATOM 688 CB CYS A 73 -20.414 56.652 12.436 1.00 11.40 C ATOM 689 SG CYS A 73 -20.846 58.257 11.754 1.00 15.38 S ATOM 690 H CYS A 73 -18.270 57.739 13.494 1.00 0.00 H ATOM 691 N CYS A 74 -18.983 54.582 14.438 1.00 10.63 N ATOM 692 CA CYS A 74 -18.847 53.250 14.998 1.00 10.39 C ATOM 693 C CYS A 74 -19.109 53.243 16.508 1.00 10.27 C ATOM 694 O CYS A 74 -19.865 52.393 17.032 1.00 9.83 O ATOM 695 CB CYS A 74 -17.466 52.699 14.714 1.00 13.02 C ATOM 696 SG CYS A 74 -17.128 52.353 12.959 1.00 13.33 S ATOM 697 H CYS A 74 -18.164 55.015 13.965 1.00 0.00 H ATOM 698 N LEU A 75 -18.491 54.190 17.209 1.00 9.58 N ATOM 699 CA LEU A 75 -18.669 54.333 18.655 1.00 10.49 C ATOM 700 C LEU A 75 -20.092 54.711 19.032 1.00 9.70 C ATOM 701 O LEU A 75 -20.637 54.188 20.020 1.00 10.17 O ATOM 702 CB LEU A 75 -17.665 55.330 19.233 1.00 11.87 C ATOM 703 CG LEU A 75 -16.208 54.926 19.052 1.00 13.86 C ATOM 704 CD1 LEU A 75 -15.287 55.956 19.676 1.00 14.59 C ATOM 705 CD2 LEU A 75 -15.904 53.531 19.544 1.00 17.15 C ATOM 706 H LEU A 75 -17.860 54.851 16.713 1.00 0.00 H ATOM 707 N LYS A 76 -20.708 55.599 18.256 1.00 9.26 N ATOM 708 CA LYS A 76 -22.088 55.984 18.507 1.00 10.92 C ATOM 709 C LYS A 76 -23.020 54.787 18.346 1.00 8.73 C ATOM 710 O LYS A 76 -23.977 54.661 19.105 1.00 8.71 O ATOM 711 CB LYS A 76 -22.549 57.116 17.567 1.00 12.51 C ATOM 712 CG LYS A 76 -24.013 57.537 17.758 1.00 18.34 C ATOM 713 CD LYS A 76 -24.194 58.419 18.987 1.00 24.34 C ATOM 714 CE LYS A 76 -25.663 58.625 19.379 1.00 30.85 C ATOM 715 NZ LYS A 76 -26.185 57.450 20.158 1.00 34.62 N ATOM 716 HZ1 LYS A 76 -26.112 56.591 19.577 1.00 0.00 H ATOM 717 HZ2 LYS A 76 -25.622 57.333 21.025 1.00 0.00 H ATOM 718 HZ3 LYS A 76 -27.180 57.617 20.410 1.00 0.00 H ATOM 719 H LYS A 76 -20.195 56.024 17.458 1.00 0.00 H ATOM 720 N THR A 77 -22.761 53.949 17.364 1.00 8.20 N ATOM 721 CA THR A 77 -23.563 52.738 17.150 1.00 8.37 C ATOM 722 C THR A 77 -23.470 51.782 18.366 1.00 8.22 C ATOM 723 O THR A 77 -24.472 51.246 18.850 1.00 8.43 O ATOM 724 CB THR A 77 -23.154 52.022 15.847 1.00 9.41 C ATOM 725 OG1 THR A 77 -23.231 52.961 14.765 1.00 10.12 O ATOM 726 CG2 THR A 77 -24.071 50.848 15.557 1.00 9.66 C ATOM 727 HG1 THR A 77 -22.617 53.717 14.942 1.00 0.00 H ATOM 728 H THR A 77 -21.967 54.150 16.723 1.00 0.00 H ATOM 729 N GLU A 78 -22.275 51.627 18.916 1.00 7.48 N ATOM 730 CA GLU A 78 -22.164 50.855 20.186 1.00 8.18 C ATOM 731 C GLU A 78 -23.000 51.460 21.296 1.00 8.49 C ATOM 732 O GLU A 78 -23.696 50.731 22.053 1.00 8.06 O ATOM 733 CB GLU A 78 -20.686 50.782 20.613 1.00 8.03 C ATOM 734 CG GLU A 78 -19.773 50.095 19.649 1.00 8.48 C ATOM 735 CD GLU A 78 -18.334 50.143 20.073 1.00 9.11 C ATOM 736 OE1 GLU A 78 -18.041 50.757 21.137 1.00 10.87 O ATOM 737 OE2 GLU A 78 -17.496 49.543 19.368 1.00 10.59 O ATOM 738 H GLU A 78 -21.430 52.037 18.470 1.00 0.00 H ATOM 739 N GLU A 79 -22.997 52.798 21.409 1.00 9.79 N ATOM 740 CA GLU A 79 -23.845 53.467 22.413 1.00 11.37 C ATOM 741 C GLU A 79 -25.330 53.237 22.158 1.00 10.97 C ATOM 742 O GLU A 79 -26.076 53.051 23.097 1.00 9.30 O ATOM 743 CB GLU A 79 -23.585 54.962 22.434 1.00 15.27 C ATOM 744 CG GLU A 79 -22.209 55.319 22.928 1.00 20.10 C ATOM 745 CD GLU A 79 -21.921 56.821 22.874 1.00 26.82 C ATOM 746 OE1 GLU A 79 -22.864 57.663 22.832 1.00 33.43 O ATOM 747 OE2 GLU A 79 -20.719 57.147 22.878 1.00 37.28 O ATOM 748 H GLU A 79 -22.392 53.367 20.783 1.00 0.00 H HETATM 749 N CSO A 80 -25.755 53.291 20.893 1.00 10.47 N HETATM 750 CA CSO A 80 -27.138 52.958 20.509 1.00 12.42 C HETATM 751 C CSO A 80 -27.545 51.556 20.915 1.00 11.43 C HETATM 752 O CSO A 80 -28.700 51.336 21.279 1.00 11.37 O HETATM 753 CB CSO A 80 -27.407 53.062 19.017 1.00 14.30 C HETATM 754 SG CSO A 80 -27.134 54.718 18.484 1.00 19.40 S HETATM 755 OD CSO A 80 -28.527 55.585 19.144 1.00 22.01 O HETATM 756 HD CSO A 80 -28.531 55.498 20.130 1.00 0.00 H HETATM 757 H CSO A 80 -25.085 53.579 20.152 1.00 0.00 H ATOM 758 N LEU A 81 -26.603 50.618 20.910 1.00 10.53 N ATOM 759 CA LEU A 81 -26.861 49.217 21.311 1.00 11.22 C ATOM 760 C LEU A 81 -26.501 48.979 22.775 1.00 10.95 C ATOM 761 O LEU A 81 -26.370 47.827 23.200 1.00 11.86 O ATOM 762 CB LEU A 81 -26.118 48.242 20.393 1.00 12.88 C ATOM 763 CG LEU A 81 -26.824 47.714 19.145 1.00 14.56 C ATOM 764 CD1 LEU A 81 -28.145 47.048 19.518 1.00 15.82 C ATOM 765 CD2 LEU A 81 -27.035 48.832 18.131 1.00 14.57 C ATOM 766 H LEU A 81 -25.642 50.880 20.611 1.00 0.00 H ATOM 767 N HIS A 82 -26.428 50.043 23.560 1.00 10.14 N ATOM 768 CA HIS A 82 -26.312 49.962 25.004 1.00 11.58 C ATOM 769 C HIS A 82 -25.067 49.250 25.494 1.00 10.30 C ATOM 770 O HIS A 82 -25.109 48.548 26.509 1.00 9.97 O ATOM 771 CB HIS A 82 -27.574 49.337 25.635 1.00 14.12 C ATOM 772 CG HIS A 82 -28.837 49.957 25.138 1.00 18.10 C ATOM 773 ND1 HIS A 82 -29.707 49.298 24.293 1.00 21.19 N ATOM 774 CD2 HIS A 82 -29.341 51.199 25.310 1.00 20.97 C ATOM 775 CE1 HIS A 82 -30.709 50.104 23.986 1.00 22.69 C ATOM 776 NE2 HIS A 82 -30.523 51.257 24.608 1.00 24.15 N ATOM 777 H HIS A 82 -26.455 50.985 23.119 1.00 0.00 H ATOM 778 N ARG A 83 -23.948 49.447 24.790 1.00 9.81 N ATOM 779 CA ARG A 83 -22.690 49.016 25.302 1.00 9.80 C ATOM 780 C ARG A 83 -22.333 49.873 26.516 1.00 11.09 C ATOM 781 O ARG A 83 -22.063 51.058 26.396 1.00 11.86 O ATOM 782 CB ARG A 83 -21.590 49.077 24.249 1.00 9.15 C ATOM 783 CG ARG A 83 -20.307 48.482 24.783 1.00 8.85 C ATOM 784 CD ARG A 83 -19.141 48.651 23.844 1.00 9.54 C ATOM 785 NE ARG A 83 -17.945 48.059 24.434 1.00 10.04 N ATOM 786 CZ ARG A 83 -16.785 47.921 23.810 1.00 11.61 C ATOM 787 NH1 ARG A 83 -16.622 48.382 22.582 1.00 11.07 N ATOM 788 NH2 ARG A 83 -15.751 47.376 24.456 1.00 13.40 N ATOM 789 HE ARG A 83 -18.008 47.721 25.416 1.00 0.00 H ATOM 790 HH12 ARG A 83 -15.707 48.268 22.101 1.00 0.00 H ATOM 791 HH11 ARG A 83 -17.409 48.858 22.097 1.00 0.00 H ATOM 792 HH22 ARG A 83 -14.837 47.264 23.973 1.00 0.00 H ATOM 793 HH21 ARG A 83 -15.860 47.063 25.442 1.00 0.00 H ATOM 794 H ARG A 83 -23.996 49.917 23.864 1.00 0.00 H ATOM 795 N ILE A 84 -22.382 49.264 27.689 1.00 12.38 N ATOM 796 CA ILE A 84 -22.093 49.941 28.934 1.00 14.21 C ATOM 797 C ILE A 84 -20.719 49.567 29.376 1.00 14.73 C ATOM 798 O ILE A 84 -19.973 50.426 29.836 1.00 17.07 O ATOM 799 CB ILE A 84 -23.092 49.542 30.057 1.00 16.93 C ATOM 800 CG1 ILE A 84 -24.516 49.868 29.643 1.00 20.73 C ATOM 801 CG2 ILE A 84 -22.722 50.224 31.359 1.00 17.65 C ATOM 802 CD1 ILE A 84 -24.698 51.271 29.097 1.00 22.38 C ATOM 803 H ILE A 84 -22.639 48.257 27.717 1.00 0.00 H ATOM 804 N ARG A 85 -20.377 48.290 29.249 1.00 12.99 N ATOM 805 CA ARG A 85 -19.036 47.828 29.565 1.00 12.24 C ATOM 806 C ARG A 85 -18.025 48.442 28.648 1.00 13.57 C ATOM 807 O ARG A 85 -18.199 48.430 27.439 1.00 13.75 O ATOM 808 CB ARG A 85 -18.920 46.307 29.447 1.00 11.67 C ATOM 809 CG ARG A 85 -19.678 45.577 30.532 1.00 11.13 C ATOM 810 CD ARG A 85 -19.583 44.061 30.306 1.00 11.29 C ATOM 811 NE ARG A 85 -20.252 43.328 31.369 1.00 9.61 N ATOM 812 CZ ARG A 85 -21.512 42.880 31.363 1.00 9.46 C ATOM 813 NH1 ARG A 85 -22.334 43.075 30.329 1.00 9.61 N ATOM 814 NH2 ARG A 85 -21.951 42.257 32.429 1.00 8.80 N ATOM 815 HE ARG A 85 -19.692 43.132 32.223 1.00 0.00 H ATOM 816 HH12 ARG A 85 -23.308 42.711 30.363 1.00 0.00 H ATOM 817 HH11 ARG A 85 -22.001 43.591 29.490 1.00 0.00 H ATOM 818 HH22 ARG A 85 -22.926 41.896 32.456 1.00 0.00 H ATOM 819 HH21 ARG A 85 -21.324 42.123 33.248 1.00 0.00 H ATOM 820 H ARG A 85 -21.085 47.605 28.916 1.00 0.00 H ATOM 821 N LYS A 86 -16.951 48.966 29.237 1.00 15.79 N ATOM 822 CA LYS A 86 -15.868 49.551 28.441 1.00 18.20 C ATOM 823 C LYS A 86 -14.495 48.868 28.599 1.00 17.08 C ATOM 824 O LYS A 86 -13.530 49.310 27.966 1.00 17.01 O ATOM 825 CB LYS A 86 -15.792 51.046 28.758 1.00 20.10 C ATOM 826 CG LYS A 86 -17.048 51.809 28.326 1.00 24.28 C ATOM 827 CD LYS A 86 -17.297 51.793 26.810 1.00 28.96 C ATOM 828 CE LYS A 86 -18.728 52.161 26.472 1.00 34.53 C ATOM 829 NZ LYS A 86 -19.156 53.406 27.179 1.00 37.73 N ATOM 830 HZ1 LYS A 86 -19.087 53.261 28.207 1.00 0.00 H ATOM 831 HZ2 LYS A 86 -18.538 54.193 26.897 1.00 0.00 H ATOM 832 HZ3 LYS A 86 -20.140 53.627 26.924 1.00 0.00 H ATOM 833 H LYS A 86 -16.880 48.960 30.275 1.00 0.00 H ATOM 834 N GLU A 87 -14.410 47.799 29.411 1.00 15.79 N ATOM 835 CA GLU A 87 -13.152 47.026 29.582 1.00 16.18 C ATOM 836 C GLU A 87 -12.848 46.393 28.250 1.00 15.13 C ATOM 837 O GLU A 87 -13.648 45.589 27.720 1.00 12.52 O ATOM 838 CB GLU A 87 -13.275 45.902 30.627 1.00 18.36 C ATOM 839 CG GLU A 87 -13.550 46.345 32.040 1.00 20.31 C ATOM 840 CD GLU A 87 -14.964 46.844 32.281 1.00 21.98 C ATOM 841 OE1 GLU A 87 -15.910 46.372 31.603 1.00 23.12 O ATOM 842 OE2 GLU A 87 -15.117 47.711 33.169 1.00 27.00 O ATOM 843 H GLU A 87 -15.256 47.502 29.939 1.00 0.00 H ATOM 844 N ARG A 88 -11.698 46.733 27.658 1.00 12.52 N ATOM 845 CA ARG A 88 -11.394 46.238 26.328 1.00 13.17 C ATOM 846 C ARG A 88 -11.315 44.715 26.308 1.00 11.61 C ATOM 847 O ARG A 88 -11.618 44.094 25.307 1.00 14.44 O ATOM 848 CB ARG A 88 -10.062 46.847 25.817 1.00 15.62 C ATOM 849 CG ARG A 88 -10.142 48.373 25.730 1.00 19.59 C ATOM 850 CD ARG A 88 -8.794 49.012 25.479 1.00 22.01 C ATOM 851 NE ARG A 88 -8.167 48.280 24.409 1.00 24.20 N ATOM 852 CZ ARG A 88 -7.771 48.798 23.245 1.00 26.07 C ATOM 853 NH1 ARG A 88 -7.836 50.133 23.022 1.00 30.38 N ATOM 854 NH2 ARG A 88 -7.239 47.970 22.335 1.00 15.76 N ATOM 855 HE ARG A 88 -8.010 47.263 24.556 1.00 0.00 H ATOM 856 HH12 ARG A 88 -7.524 50.524 22.110 1.00 0.00 H ATOM 857 HH11 ARG A 88 -8.198 50.767 23.763 1.00 0.00 H ATOM 858 HH22 ARG A 88 -6.920 48.341 21.417 1.00 0.00 H ATOM 859 HH21 ARG A 88 -7.145 46.956 22.547 1.00 0.00 H ATOM 860 H ARG A 88 -11.022 47.352 28.150 1.00 0.00 H ATOM 861 N TRP A 89 -10.931 44.128 27.429 1.00 10.99 N ATOM 862 CA TRP A 89 -10.790 42.668 27.505 1.00 11.22 C ATOM 863 C TRP A 89 -12.117 41.929 27.735 1.00 11.60 C ATOM 864 O TRP A 89 -12.156 40.707 27.586 1.00 12.50 O ATOM 865 CB TRP A 89 -9.795 42.292 28.634 1.00 11.72 C ATOM 866 CG TRP A 89 -10.091 42.900 29.975 1.00 11.23 C ATOM 867 CD1 TRP A 89 -9.523 44.026 30.487 1.00 11.18 C ATOM 868 CD2 TRP A 89 -10.996 42.423 30.977 1.00 11.92 C ATOM 869 NE1 TRP A 89 -10.002 44.286 31.717 1.00 11.90 N ATOM 870 CE2 TRP A 89 -10.921 43.327 32.055 1.00 12.34 C ATOM 871 CE3 TRP A 89 -11.879 41.329 31.064 1.00 12.05 C ATOM 872 CZ2 TRP A 89 -11.663 43.163 33.237 1.00 12.73 C ATOM 873 CZ3 TRP A 89 -12.622 41.174 32.256 1.00 12.18 C ATOM 874 CH2 TRP A 89 -12.524 42.086 33.285 1.00 12.18 C ATOM 875 HE1 TRP A 89 -9.720 45.088 32.316 1.00 0.00 H ATOM 876 H TRP A 89 -10.726 44.708 28.268 1.00 0.00 H ATOM 877 N GLY A 90 -13.170 42.667 28.125 1.00 9.51 N ATOM 878 CA GLY A 90 -14.398 42.114 28.648 1.00 8.73 C ATOM 879 C GLY A 90 -15.538 42.071 27.621 1.00 7.83 C ATOM 880 O GLY A 90 -15.426 42.496 26.467 1.00 7.60 O ATOM 881 H GLY A 90 -13.096 43.701 28.045 1.00 0.00 H ATOM 882 N PRO A 91 -16.666 41.527 28.059 1.00 7.14 N ATOM 883 CA PRO A 91 -17.806 41.341 27.130 1.00 7.27 C ATOM 884 C PRO A 91 -18.484 42.660 26.740 1.00 7.28 C ATOM 885 O PRO A 91 -18.245 43.723 27.356 1.00 6.70 O ATOM 886 CB PRO A 91 -18.750 40.440 27.919 1.00 7.10 C ATOM 887 CG PRO A 91 -18.312 40.464 29.300 1.00 8.03 C ATOM 888 CD PRO A 91 -16.919 40.954 29.390 1.00 7.69 C ATOM 889 N ARG A 92 -19.259 42.597 25.671 1.00 7.47 N ATOM 890 CA ARG A 92 -19.929 43.791 25.142 1.00 8.21 C ATOM 891 C ARG A 92 -21.136 43.388 24.301 1.00 7.68 C ATOM 892 O ARG A 92 -21.113 42.365 23.620 1.00 8.33 O ATOM 893 CB ARG A 92 -18.972 44.675 24.319 1.00 8.25 C ATOM 894 CG ARG A 92 -18.484 44.136 22.976 1.00 8.96 C ATOM 895 CD ARG A 92 -17.531 42.935 23.013 1.00 9.86 C ATOM 896 NE ARG A 92 -16.381 43.244 23.867 1.00 9.17 N ATOM 897 CZ ARG A 92 -15.262 43.864 23.486 1.00 9.55 C ATOM 898 NH1 ARG A 92 -15.131 44.272 22.251 1.00 9.73 N ATOM 899 NH2 ARG A 92 -14.319 44.169 24.362 1.00 9.15 N ATOM 900 HE ARG A 92 -16.442 42.953 24.864 1.00 0.00 H ATOM 901 HH12 ARG A 92 -14.260 44.755 21.953 1.00 0.00 H ATOM 902 HH11 ARG A 92 -15.898 44.113 21.567 1.00 0.00 H ATOM 903 HH22 ARG A 92 -13.454 44.652 24.047 1.00 0.00 H ATOM 904 HH21 ARG A 92 -14.443 43.926 25.365 1.00 0.00 H ATOM 905 H ARG A 92 -19.397 41.683 25.195 1.00 0.00 H ATOM 906 N THR A 93 -22.173 44.207 24.392 1.00 7.99 N ATOM 907 CA THR A 93 -23.350 44.043 23.545 1.00 8.53 C ATOM 908 C THR A 93 -23.010 44.264 22.072 1.00 8.04 C ATOM 909 O THR A 93 -23.588 43.617 21.199 1.00 7.90 O ATOM 910 CB THR A 93 -24.459 45.035 23.925 1.00 9.19 C ATOM 911 OG1 THR A 93 -23.974 46.380 23.828 1.00 9.16 O ATOM 912 CG2 THR A 93 -25.010 44.782 25.302 1.00 9.81 C ATOM 913 HG1 THR A 93 -24.697 47.009 24.075 1.00 0.00 H ATOM 914 H THR A 93 -22.148 44.984 25.082 1.00 0.00 H ATOM 915 N LEU A 94 -22.081 45.170 21.798 1.00 7.80 N ATOM 916 CA LEU A 94 -21.678 45.447 20.421 1.00 7.42 C ATOM 917 C LEU A 94 -20.323 46.044 20.403 1.00 7.63 C ATOM 918 O LEU A 94 -20.065 46.971 21.159 1.00 7.27 O ATOM 919 CB LEU A 94 -22.651 46.402 19.683 1.00 8.61 C ATOM 920 CG LEU A 94 -22.344 46.740 18.201 1.00 9.06 C ATOM 921 CD1 LEU A 94 -22.640 45.494 17.368 1.00 9.99 C ATOM 922 CD2 LEU A 94 -23.142 47.956 17.732 1.00 9.45 C ATOM 923 H LEU A 94 -21.631 45.692 22.577 1.00 0.00 H ATOM 924 N ASP A 95 -19.512 45.584 19.446 1.00 7.49 N ATOM 925 CA ASP A 95 -18.194 46.171 19.128 1.00 7.27 C ATOM 926 C ASP A 95 -18.192 46.435 17.621 1.00 7.60 C ATOM 927 O ASP A 95 -18.490 45.529 16.832 1.00 8.25 O ATOM 928 CB ASP A 95 -17.145 45.122 19.465 1.00 7.81 C ATOM 929 CG ASP A 95 -15.716 45.608 19.272 1.00 8.41 C ATOM 930 OD1 ASP A 95 -15.468 46.797 19.493 1.00 6.76 O ATOM 931 OD2 ASP A 95 -14.854 44.757 18.901 1.00 8.61 O ATOM 932 H ASP A 95 -19.828 44.763 18.891 1.00 0.00 H ATOM 933 N VAL A 96 -17.836 47.647 17.229 1.00 7.77 N ATOM 934 CA VAL A 96 -17.698 47.998 15.822 1.00 7.85 C ATOM 935 C VAL A 96 -16.258 48.503 15.627 1.00 7.26 C ATOM 936 O VAL A 96 -15.894 49.590 16.116 1.00 7.50 O ATOM 937 CB VAL A 96 -18.751 49.055 15.392 1.00 7.94 C ATOM 938 CG1 VAL A 96 -18.674 49.300 13.890 1.00 8.66 C ATOM 939 CG2 VAL A 96 -20.153 48.640 15.827 1.00 8.90 C ATOM 940 H VAL A 96 -17.648 48.373 17.949 1.00 0.00 H ATOM 941 N ASP A 97 -15.473 47.715 14.879 1.00 7.19 N ATOM 942 CA ASP A 97 -14.057 47.996 14.636 1.00 7.18 C ATOM 943 C ASP A 97 -13.836 48.375 13.184 1.00 7.28 C ATOM 944 O ASP A 97 -14.414 47.734 12.296 1.00 8.83 O ATOM 945 CB ASP A 97 -13.187 46.804 15.005 1.00 6.73 C ATOM 946 CG ASP A 97 -13.208 46.514 16.500 1.00 7.54 C ATOM 947 OD1 ASP A 97 -13.594 47.405 17.273 1.00 6.88 O ATOM 948 OD2 ASP A 97 -12.805 45.412 16.862 1.00 8.53 O ATOM 949 H ASP A 97 -15.890 46.864 14.451 1.00 0.00 H ATOM 950 N ILE A 98 -13.028 49.389 12.948 1.00 7.12 N ATOM 951 CA ILE A 98 -12.641 49.736 11.587 1.00 7.15 C ATOM 952 C ILE A 98 -11.490 48.837 11.192 1.00 7.48 C ATOM 953 O ILE A 98 -10.411 48.909 11.766 1.00 8.16 O ATOM 954 CB ILE A 98 -12.247 51.205 11.424 1.00 7.66 C ATOM 955 CG1 ILE A 98 -13.402 52.151 11.774 1.00 8.15 C ATOM 956 CG2 ILE A 98 -11.817 51.469 9.974 1.00 8.07 C ATOM 957 CD1 ILE A 98 -13.049 53.627 11.869 1.00 8.38 C ATOM 958 H ILE A 98 -12.662 49.949 13.744 1.00 0.00 H ATOM 959 N LEU A 99 -11.683 48.003 10.184 1.00 6.82 N ATOM 960 CA LEU A 99 -10.646 47.096 9.744 1.00 7.23 C ATOM 961 C LEU A 99 -9.785 47.727 8.658 1.00 6.90 C ATOM 962 O LEU A 99 -8.571 47.643 8.733 1.00 6.79 O ATOM 963 CB LEU A 99 -11.273 45.801 9.222 1.00 7.69 C ATOM 964 CG LEU A 99 -12.175 45.081 10.253 1.00 8.32 C ATOM 965 CD1 LEU A 99 -12.801 43.843 9.611 1.00 8.67 C ATOM 966 CD2 LEU A 99 -11.405 44.691 11.473 1.00 9.24 C ATOM 967 H LEU A 99 -12.602 47.999 9.696 1.00 0.00 H ATOM 968 N LEU A 100 -10.418 48.352 7.659 1.00 6.58 N ATOM 969 CA LEU A 100 -9.723 48.871 6.484 1.00 6.66 C ATOM 970 C LEU A 100 -10.475 50.115 6.089 1.00 6.92 C ATOM 971 O LEU A 100 -11.692 50.135 6.160 1.00 7.24 O ATOM 972 CB LEU A 100 -9.774 47.850 5.334 1.00 7.57 C ATOM 973 CG LEU A 100 -9.012 46.543 5.533 1.00 7.60 C ATOM 974 CD1 LEU A 100 -9.459 45.562 4.460 1.00 8.84 C ATOM 975 CD2 LEU A 100 -7.497 46.787 5.486 1.00 8.83 C ATOM 976 H LEU A 100 -11.449 48.474 7.722 1.00 0.00 H ATOM 977 N TYR A 101 -9.728 51.130 5.659 1.00 6.40 N ATOM 978 CA TYR A 101 -10.271 52.418 5.160 1.00 7.23 C ATOM 979 C TYR A 101 -9.563 52.696 3.855 1.00 6.83 C ATOM 980 O TYR A 101 -8.472 53.224 3.813 1.00 6.36 O ATOM 981 CB TYR A 101 -10.127 53.528 6.189 1.00 7.07 C ATOM 982 CG TYR A 101 -10.724 54.881 5.835 1.00 7.65 C ATOM 983 CD1 TYR A 101 -12.051 55.185 6.107 1.00 7.98 C ATOM 984 CD2 TYR A 101 -9.966 55.840 5.203 1.00 8.12 C ATOM 985 CE1 TYR A 101 -12.590 56.434 5.790 1.00 8.12 C ATOM 986 CE2 TYR A 101 -10.491 57.082 4.892 1.00 9.09 C ATOM 987 CZ TYR A 101 -11.807 57.374 5.187 1.00 9.20 C ATOM 988 OH TYR A 101 -12.268 58.655 4.847 1.00 10.53 O ATOM 989 HH TYR A 101 -13.219 58.742 5.107 1.00 0.00 H ATOM 990 H TYR A 101 -8.695 51.012 5.674 1.00 0.00 H ATOM 991 N GLY A 102 -10.180 52.245 2.750 1.00 7.56 N ATOM 992 CA GLY A 102 -9.495 52.207 1.491 1.00 7.92 C ATOM 993 C GLY A 102 -8.195 51.438 1.642 1.00 8.26 C ATOM 994 O GLY A 102 -8.178 50.437 2.410 1.00 9.97 O ATOM 995 H GLY A 102 -11.166 51.920 2.809 1.00 0.00 H ATOM 996 N GLU A 103 -7.126 51.913 1.008 1.00 7.51 N ATOM 997 CA GLU A 103 -5.784 51.346 1.185 1.00 9.04 C ATOM 998 C GLU A 103 -4.887 52.208 2.065 1.00 7.02 C ATOM 999 O GLU A 103 -3.663 52.106 2.019 1.00 8.36 O ATOM 1000 CB GLU A 103 -5.118 51.031 -0.174 1.00 12.31 C ATOM 1001 CG GLU A 103 -5.808 49.852 -0.857 1.00 16.66 C ATOM 1002 CD GLU A 103 -5.512 48.519 -0.188 1.00 19.28 C ATOM 1003 OE1 GLU A 103 -4.287 48.196 0.050 1.00 22.37 O ATOM 1004 OE2 GLU A 103 -6.508 47.759 0.009 1.00 25.95 O ATOM 1005 H GLU A 103 -7.246 52.718 0.361 1.00 0.00 H ATOM 1006 N GLU A 104 -5.516 53.087 2.865 1.00 5.99 N ATOM 1007 CA GLU A 104 -4.788 54.039 3.659 1.00 6.20 C ATOM 1008 C GLU A 104 -4.374 53.423 5.000 1.00 5.91 C ATOM 1009 O GLU A 104 -4.943 52.443 5.448 1.00 5.17 O ATOM 1010 CB GLU A 104 -5.639 55.278 3.892 1.00 6.65 C ATOM 1011 CG GLU A 104 -5.968 56.085 2.633 1.00 7.06 C ATOM 1012 CD GLU A 104 -4.836 56.956 2.115 1.00 7.47 C ATOM 1013 OE1 GLU A 104 -3.684 56.931 2.640 1.00 8.18 O ATOM 1014 OE2 GLU A 104 -5.033 57.755 1.155 1.00 7.10 O ATOM 1015 H GLU A 104 -6.555 53.078 2.910 1.00 0.00 H ATOM 1016 N MET A 105 -3.356 54.024 5.576 1.00 6.42 N ATOM 1017 CA MET A 105 -2.831 53.544 6.881 1.00 7.01 C ATOM 1018 C MET A 105 -2.649 54.760 7.788 1.00 6.56 C ATOM 1019 O MET A 105 -2.140 55.783 7.384 1.00 6.49 O ATOM 1020 CB MET A 105 -1.491 52.843 6.743 1.00 9.19 C ATOM 1021 CG MET A 105 -1.435 51.740 5.744 1.00 12.94 C ATOM 1022 SD MET A 105 0.203 51.003 5.490 1.00 20.67 S ATOM 1023 CE MET A 105 1.101 52.258 4.619 1.00 23.52 C ATOM 1024 H MET A 105 -2.914 54.844 5.114 1.00 0.00 H ATOM 1025 N ILE A 106 -3.032 54.589 9.059 1.00 6.38 N ATOM 1026 CA ILE A 106 -2.808 55.597 10.058 1.00 7.05 C ATOM 1027 C ILE A 106 -2.592 54.875 11.383 1.00 6.79 C ATOM 1028 O ILE A 106 -3.244 53.859 11.629 1.00 5.73 O ATOM 1029 CB ILE A 106 -4.021 56.556 10.111 1.00 8.91 C ATOM 1030 CG1 ILE A 106 -3.643 57.828 10.859 1.00 11.41 C ATOM 1031 CG2 ILE A 106 -5.237 55.916 10.667 1.00 9.82 C ATOM 1032 CD1 ILE A 106 -4.638 58.966 10.664 1.00 12.17 C ATOM 1033 H ILE A 106 -3.504 53.703 9.331 1.00 0.00 H ATOM 1034 N ASP A 107 -1.672 55.413 12.189 1.00 8.06 N ATOM 1035 CA ASP A 107 -1.383 54.830 13.506 1.00 10.19 C ATOM 1036 C ASP A 107 -1.325 55.932 14.542 1.00 11.42 C ATOM 1037 O ASP A 107 -0.244 56.316 14.963 1.00 13.18 O ATOM 1038 CB ASP A 107 -0.049 54.085 13.461 1.00 11.19 C ATOM 1039 CG ASP A 107 -0.184 52.720 12.889 1.00 15.62 C ATOM 1040 OD1 ASP A 107 -0.896 51.874 13.504 1.00 20.76 O ATOM 1041 OD2 ASP A 107 0.446 52.471 11.837 1.00 18.59 O ATOM 1042 H ASP A 107 -1.152 56.259 11.879 1.00 0.00 H ATOM 1043 N LEU A 108 -2.492 56.480 14.862 1.00 12.50 N ATOM 1044 CA LEU A 108 -2.621 57.504 15.911 1.00 15.41 C ATOM 1045 C LEU A 108 -2.625 56.782 17.225 1.00 17.27 C ATOM 1046 O LEU A 108 -3.112 55.652 17.305 1.00 16.88 O ATOM 1047 CB LEU A 108 -3.937 58.270 15.795 1.00 13.47 C ATOM 1048 CG LEU A 108 -4.009 59.195 14.560 1.00 14.81 C ATOM 1049 CD1 LEU A 108 -5.440 59.641 14.209 1.00 14.96 C ATOM 1050 CD2 LEU A 108 -3.128 60.386 14.774 1.00 16.35 C ATOM 1051 H LEU A 108 -3.346 56.174 14.353 1.00 0.00 H ATOM 1052 N PRO A 109 -2.175 57.465 18.312 1.00 20.80 N ATOM 1053 CA PRO A 109 -2.305 56.769 19.607 1.00 22.45 C ATOM 1054 C PRO A 109 -3.609 55.958 19.818 1.00 25.78 C ATOM 1055 O PRO A 109 -3.507 54.831 20.286 1.00 32.93 O ATOM 1056 CB PRO A 109 -2.144 57.910 20.632 1.00 23.18 C ATOM 1057 CG PRO A 109 -1.276 58.909 19.944 1.00 22.12 C ATOM 1058 CD PRO A 109 -1.617 58.822 18.460 1.00 23.36 C ATOM 1059 N LYS A 110 -4.793 56.480 19.448 1.00 23.93 N ATOM 1060 CA LYS A 110 -6.078 55.808 19.637 1.00 23.67 C ATOM 1061 C LYS A 110 -6.939 55.530 18.363 1.00 23.91 C ATOM 1062 O LYS A 110 -8.180 55.386 18.399 1.00 21.80 O ATOM 1063 CB LYS A 110 -6.905 56.609 20.644 1.00 33.37 C ATOM 1064 CG LYS A 110 -6.122 57.041 21.895 1.00 36.36 C ATOM 1065 CD LYS A 110 -7.009 57.702 22.944 1.00 41.87 C ATOM 1066 CE LYS A 110 -6.201 58.095 24.177 1.00 44.22 C ATOM 1067 NZ LYS A 110 -7.068 58.171 25.387 1.00 46.55 N ATOM 1068 HZ1 LYS A 110 -7.811 58.883 25.235 1.00 0.00 H ATOM 1069 HZ2 LYS A 110 -7.505 57.243 25.558 1.00 0.00 H ATOM 1070 HZ3 LYS A 110 -6.491 58.440 26.209 1.00 0.00 H ATOM 1071 H LYS A 110 -4.794 57.419 19.000 1.00 0.00 H ATOM 1072 N LEU A 111 -6.292 55.477 17.198 1.00 20.04 N ATOM 1073 CA LEU A 111 -6.967 54.999 16.004 1.00 15.30 C ATOM 1074 C LEU A 111 -5.886 54.452 15.088 1.00 12.99 C ATOM 1075 O LEU A 111 -5.042 55.218 14.628 1.00 10.61 O ATOM 1076 CB LEU A 111 -7.748 56.099 15.289 1.00 16.67 C ATOM 1077 CG LEU A 111 -8.399 55.687 13.952 1.00 18.88 C ATOM 1078 CD1 LEU A 111 -9.305 54.459 14.135 1.00 17.72 C ATOM 1079 CD2 LEU A 111 -9.189 56.793 13.315 1.00 22.35 C ATOM 1080 H LEU A 111 -5.298 55.780 17.144 1.00 0.00 H ATOM 1081 N SER A 112 -5.889 53.134 14.878 1.00 11.25 N ATOM 1082 CA SER A 112 -4.972 52.471 13.977 1.00 10.01 C ATOM 1083 C SER A 112 -5.804 51.765 12.915 1.00 8.29 C ATOM 1084 O SER A 112 -6.670 50.937 13.230 1.00 7.66 O ATOM 1085 CB SER A 112 -3.977 51.464 14.612 1.00 10.18 C ATOM 1086 OG SER A 112 -2.880 52.070 15.316 1.00 18.44 O ATOM 1087 HG SER A 112 -2.359 52.634 14.691 1.00 0.00 H ATOM 1088 H SER A 112 -6.586 52.554 15.388 1.00 0.00 H ATOM 1089 N VAL A 113 -5.502 52.030 11.658 1.00 6.52 N ATOM 1090 CA VAL A 113 -6.205 51.406 10.534 1.00 7.00 C ATOM 1091 C VAL A 113 -5.122 51.222 9.469 1.00 6.05 C ATOM 1092 O VAL A 113 -4.413 52.149 9.201 1.00 6.74 O ATOM 1093 CB VAL A 113 -7.305 52.310 9.915 1.00 7.56 C ATOM 1094 CG1 VAL A 113 -7.953 51.630 8.721 1.00 7.44 C ATOM 1095 CG2 VAL A 113 -8.333 52.674 10.947 1.00 8.25 C ATOM 1096 H VAL A 113 -4.737 52.706 11.458 1.00 0.00 H ATOM 1097 N PRO A 114 -4.991 50.060 8.847 1.00 6.63 N ATOM 1098 CA PRO A 114 -5.754 48.854 9.127 1.00 6.54 C ATOM 1099 C PRO A 114 -5.721 48.462 10.583 1.00 7.42 C ATOM 1100 O PRO A 114 -4.738 48.771 11.300 1.00 6.91 O ATOM 1101 CB PRO A 114 -5.045 47.802 8.259 1.00 7.21 C ATOM 1102 CG PRO A 114 -4.390 48.540 7.164 1.00 7.13 C ATOM 1103 CD PRO A 114 -3.984 49.846 7.807 1.00 6.96 C ATOM 1104 N HIS A 115 -6.801 47.823 11.039 1.00 7.32 N ATOM 1105 CA HIS A 115 -6.806 47.387 12.442 1.00 8.27 C ATOM 1106 C HIS A 115 -5.565 46.558 12.715 1.00 8.05 C ATOM 1107 O HIS A 115 -5.284 45.623 11.995 1.00 8.37 O ATOM 1108 CB HIS A 115 -8.042 46.598 12.755 1.00 8.86 C ATOM 1109 CG HIS A 115 -8.270 46.465 14.221 1.00 9.22 C ATOM 1110 ND1 HIS A 115 -7.517 45.609 14.990 1.00 10.07 N ATOM 1111 CD2 HIS A 115 -9.152 47.068 15.060 1.00 9.77 C ATOM 1112 CE1 HIS A 115 -7.915 45.695 16.253 1.00 9.78 C ATOM 1113 NE2 HIS A 115 -8.891 46.585 16.326 1.00 10.97 N ATOM 1114 H HIS A 115 -7.615 47.639 10.419 1.00 0.00 H ATOM 1115 N PRO A 116 -4.773 46.939 13.742 1.00 9.91 N ATOM 1116 CA PRO A 116 -3.423 46.347 13.821 1.00 11.30 C ATOM 1117 C PRO A 116 -3.368 44.905 14.296 1.00 11.81 C ATOM 1118 O PRO A 116 -2.329 44.261 14.190 1.00 13.79 O ATOM 1119 CB PRO A 116 -2.671 47.295 14.769 1.00 12.45 C ATOM 1120 CG PRO A 116 -3.689 47.965 15.515 1.00 12.12 C ATOM 1121 CD PRO A 116 -4.948 48.050 14.667 1.00 11.07 C ATOM 1122 N ARG A 117 -4.496 44.388 14.777 1.00 9.67 N ATOM 1123 CA ARG A 117 -4.591 43.014 15.268 1.00 10.02 C ATOM 1124 C ARG A 117 -5.327 42.058 14.344 1.00 9.17 C ATOM 1125 O ARG A 117 -5.364 40.856 14.636 1.00 9.52 O ATOM 1126 CB ARG A 117 -5.197 43.024 16.693 1.00 11.88 C ATOM 1127 CG ARG A 117 -4.130 43.662 17.642 1.00 17.12 C ATOM 1128 CD ARG A 117 -4.716 44.008 18.965 1.00 24.51 C ATOM 1129 NE ARG A 117 -5.468 45.249 18.922 1.00 27.95 N ATOM 1130 CZ ARG A 117 -4.907 46.457 18.894 1.00 31.09 C ATOM 1131 NH1 ARG A 117 -3.560 46.601 18.882 1.00 27.94 N ATOM 1132 NH2 ARG A 117 -5.708 47.535 18.881 1.00 35.01 N ATOM 1133 HE ARG A 117 -6.506 45.192 18.912 1.00 0.00 H ATOM 1134 HH12 ARG A 117 -3.139 47.552 18.860 1.00 0.00 H ATOM 1135 HH11 ARG A 117 -2.947 45.761 18.895 1.00 0.00 H ATOM 1136 HH22 ARG A 117 -5.295 48.489 18.859 1.00 0.00 H ATOM 1137 HH21 ARG A 117 -6.741 47.415 18.893 1.00 0.00 H ATOM 1138 H ARG A 117 -5.346 44.987 14.805 1.00 0.00 H ATOM 1139 N MET A 118 -5.852 42.563 13.230 1.00 9.31 N ATOM 1140 CA MET A 118 -6.712 41.750 12.366 1.00 9.35 C ATOM 1141 C MET A 118 -6.013 40.537 11.774 1.00 8.75 C ATOM 1142 O MET A 118 -6.654 39.470 11.589 1.00 9.96 O ATOM 1143 CB MET A 118 -7.365 42.591 11.255 1.00 10.33 C ATOM 1144 CG MET A 118 -6.381 43.218 10.298 1.00 11.79 C ATOM 1145 SD MET A 118 -7.154 44.302 9.068 1.00 14.90 S ATOM 1146 CE MET A 118 -8.026 43.094 8.137 1.00 15.39 C ATOM 1147 H MET A 118 -5.649 43.549 12.969 1.00 0.00 H ATOM 1148 N ASN A 119 -4.716 40.654 11.434 1.00 9.14 N ATOM 1149 CA ASN A 119 -4.060 39.562 10.722 1.00 10.23 C ATOM 1150 C ASN A 119 -3.828 38.313 11.539 1.00 10.43 C ATOM 1151 O ASN A 119 -3.454 37.290 10.991 1.00 11.75 O ATOM 1152 CB ASN A 119 -2.750 40.038 10.068 1.00 11.08 C ATOM 1153 CG ASN A 119 -2.985 41.025 8.944 1.00 12.57 C ATOM 1154 OD1 ASN A 119 -4.122 41.321 8.579 1.00 16.40 O ATOM 1155 ND2 ASN A 119 -1.893 41.534 8.374 1.00 11.80 N ATOM 1156 HD22 ASN A 119 -0.951 41.256 8.715 1.00 0.00 H ATOM 1157 HD21 ASN A 119 -1.983 42.210 7.588 1.00 0.00 H ATOM 1158 H ASN A 119 -4.186 41.515 11.677 1.00 0.00 H ATOM 1159 N GLU A 120 -4.027 38.360 12.859 1.00 10.86 N ATOM 1160 CA GLU A 120 -3.878 37.133 13.636 1.00 12.93 C ATOM 1161 C GLU A 120 -5.207 36.720 14.282 1.00 10.76 C ATOM 1162 O GLU A 120 -5.203 35.930 15.184 1.00 10.56 O ATOM 1163 CB GLU A 120 -2.760 37.238 14.650 1.00 17.01 C ATOM 1164 CG GLU A 120 -1.413 37.723 14.067 1.00 20.62 C ATOM 1165 CD GLU A 120 -0.765 36.787 13.044 1.00 28.28 C ATOM 1166 OE1 GLU A 120 -1.012 35.563 13.110 1.00 29.57 O ATOM 1167 OE2 GLU A 120 0.017 37.280 12.171 1.00 32.88 O ATOM 1168 H GLU A 120 -4.283 39.254 13.325 1.00 0.00 H ATOM 1169 N ARG A 121 -6.317 37.233 13.769 1.00 8.97 N ATOM 1170 CA ARG A 121 -7.637 36.931 14.318 1.00 8.39 C ATOM 1171 C ARG A 121 -8.514 36.217 13.279 1.00 7.90 C ATOM 1172 O ARG A 121 -9.022 36.854 12.370 1.00 7.67 O ATOM 1173 CB ARG A 121 -8.327 38.218 14.750 1.00 8.12 C ATOM 1174 CG ARG A 121 -7.687 38.832 15.977 1.00 7.88 C ATOM 1175 CD ARG A 121 -8.322 40.203 16.184 1.00 7.84 C ATOM 1176 NE ARG A 121 -7.856 40.780 17.449 1.00 8.44 N ATOM 1177 CZ ARG A 121 -8.370 41.864 18.004 1.00 8.91 C ATOM 1178 NH1 ARG A 121 -9.332 42.556 17.408 1.00 9.03 N ATOM 1179 NH2 ARG A 121 -7.888 42.307 19.145 1.00 10.06 N ATOM 1180 HE ARG A 121 -7.071 40.306 17.941 1.00 0.00 H ATOM 1181 HH12 ARG A 121 -9.721 43.406 17.865 1.00 0.00 H ATOM 1182 HH11 ARG A 121 -9.698 42.249 16.484 1.00 0.00 H ATOM 1183 HH22 ARG A 121 -8.291 43.160 19.584 1.00 0.00 H ATOM 1184 HH21 ARG A 121 -7.104 41.805 19.608 1.00 0.00 H ATOM 1185 H ARG A 121 -6.246 37.870 12.950 1.00 0.00 H ATOM 1186 N ALA A 122 -8.758 34.930 13.498 1.00 8.02 N ATOM 1187 CA ALA A 122 -9.639 34.203 12.559 1.00 8.65 C ATOM 1188 C ALA A 122 -11.066 34.731 12.611 1.00 8.30 C ATOM 1189 O ALA A 122 -11.761 34.727 11.607 1.00 8.22 O ATOM 1190 CB ALA A 122 -9.607 32.738 12.860 1.00 8.02 C ATOM 1191 H ALA A 122 -8.337 34.443 14.315 1.00 0.00 H ATOM 1192 N PHE A 123 -11.504 35.234 13.776 1.00 8.06 N ATOM 1193 CA PHE A 123 -12.839 35.805 13.855 1.00 8.44 C ATOM 1194 C PHE A 123 -13.045 37.061 13.040 1.00 8.27 C ATOM 1195 O PHE A 123 -14.178 37.458 12.819 1.00 8.03 O ATOM 1196 CB PHE A 123 -13.293 36.010 15.317 1.00 9.47 C ATOM 1197 CG PHE A 123 -12.579 37.128 16.061 1.00 9.66 C ATOM 1198 CD1 PHE A 123 -12.949 38.451 15.867 1.00 9.39 C ATOM 1199 CD2 PHE A 123 -11.615 36.833 16.992 1.00 10.05 C ATOM 1200 CE1 PHE A 123 -12.321 39.464 16.556 1.00 9.81 C ATOM 1201 CE2 PHE A 123 -11.003 37.859 17.731 1.00 10.40 C ATOM 1202 CZ PHE A 123 -11.356 39.160 17.484 1.00 10.33 C ATOM 1203 H PHE A 123 -10.892 35.215 14.617 1.00 0.00 H ATOM 1204 N VAL A 124 -11.951 37.688 12.610 1.00 7.86 N ATOM 1205 CA VAL A 124 -11.962 38.710 11.594 1.00 8.28 C ATOM 1206 C VAL A 124 -11.717 38.136 10.195 1.00 8.02 C ATOM 1207 O VAL A 124 -12.495 38.382 9.284 1.00 7.92 O ATOM 1208 CB VAL A 124 -10.887 39.808 11.861 1.00 8.79 C ATOM 1209 CG1 VAL A 124 -10.895 40.833 10.742 1.00 9.41 C ATOM 1210 CG2 VAL A 124 -11.177 40.489 13.167 1.00 10.08 C ATOM 1211 H VAL A 124 -11.037 37.425 13.031 1.00 0.00 H ATOM 1212 N LEU A 125 -10.595 37.431 10.009 1.00 7.72 N ATOM 1213 CA LEU A 125 -10.164 37.095 8.643 1.00 7.93 C ATOM 1214 C LEU A 125 -11.108 36.103 7.927 1.00 8.28 C ATOM 1215 O LEU A 125 -11.243 36.177 6.720 1.00 8.33 O ATOM 1216 CB LEU A 125 -8.790 36.505 8.671 1.00 8.30 C ATOM 1217 CG LEU A 125 -7.677 37.465 9.108 1.00 8.57 C ATOM 1218 CD1 LEU A 125 -6.400 36.672 9.112 1.00 9.74 C ATOM 1219 CD2 LEU A 125 -7.560 38.645 8.183 1.00 9.09 C ATOM 1220 H LEU A 125 -10.030 37.122 10.826 1.00 0.00 H ATOM 1221 N ILE A 126 -11.754 35.238 8.688 1.00 7.65 N ATOM 1222 CA ILE A 126 -12.660 34.302 8.075 1.00 7.89 C ATOM 1223 C ILE A 126 -13.865 35.019 7.459 1.00 7.83 C ATOM 1224 O ILE A 126 -14.030 34.938 6.259 1.00 8.55 O ATOM 1225 CB ILE A 126 -13.000 33.109 8.985 1.00 8.46 C ATOM 1226 CG1 ILE A 126 -11.744 32.248 9.157 1.00 9.12 C ATOM 1227 CG2 ILE A 126 -14.117 32.283 8.379 1.00 9.19 C ATOM 1228 CD1 ILE A 126 -11.865 31.101 10.120 1.00 9.47 C ATOM 1229 H ILE A 126 -11.610 35.233 9.718 1.00 0.00 H ATOM 1230 N PRO A 127 -14.640 35.787 8.228 1.00 7.96 N ATOM 1231 CA PRO A 127 -15.738 36.542 7.564 1.00 8.23 C ATOM 1232 C PRO A 127 -15.217 37.598 6.609 1.00 8.56 C ATOM 1233 O PRO A 127 -15.840 37.859 5.594 1.00 8.90 O ATOM 1234 CB PRO A 127 -16.522 37.168 8.722 1.00 7.95 C ATOM 1235 CG PRO A 127 -15.627 37.067 9.912 1.00 8.18 C ATOM 1236 CD PRO A 127 -14.734 35.865 9.690 1.00 9.08 C ATOM 1237 N LEU A 128 -14.029 38.147 6.873 1.00 8.36 N ATOM 1238 CA LEU A 128 -13.510 39.119 5.933 1.00 8.27 C ATOM 1239 C LEU A 128 -13.182 38.477 4.574 1.00 8.63 C ATOM 1240 O LEU A 128 -13.509 39.043 3.505 1.00 9.58 O ATOM 1241 CB LEU A 128 -12.288 39.849 6.501 1.00 8.22 C ATOM 1242 CG LEU A 128 -11.835 41.069 5.673 1.00 8.29 C ATOM 1243 CD1 LEU A 128 -12.897 42.140 5.490 1.00 8.48 C ATOM 1244 CD2 LEU A 128 -10.549 41.625 6.274 1.00 8.20 C ATOM 1245 H LEU A 128 -13.494 37.885 7.726 1.00 0.00 H ATOM 1246 N ASN A 129 -12.569 37.308 4.598 1.00 7.09 N ATOM 1247 CA ASN A 129 -12.215 36.613 3.379 1.00 8.28 C ATOM 1248 C ASN A 129 -13.478 36.273 2.586 1.00 7.61 C ATOM 1249 O ASN A 129 -13.443 36.199 1.352 1.00 7.74 O ATOM 1250 CB ASN A 129 -11.428 35.345 3.703 1.00 8.51 C ATOM 1251 CG ASN A 129 -11.040 34.576 2.475 1.00 9.24 C ATOM 1252 OD1 ASN A 129 -10.235 35.038 1.654 1.00 10.52 O ATOM 1253 ND2 ASN A 129 -11.602 33.400 2.330 1.00 10.15 N ATOM 1254 HD22 ASN A 129 -12.272 33.052 3.045 1.00 0.00 H ATOM 1255 HD21 ASN A 129 -11.377 32.815 1.500 1.00 0.00 H ATOM 1256 H ASN A 129 -12.335 36.876 5.515 1.00 0.00 H ATOM 1257 N ASP A 130 -14.582 36.051 3.282 1.00 7.39 N ATOM 1258 CA ASP A 130 -15.835 35.736 2.606 1.00 7.25 C ATOM 1259 C ASP A 130 -16.289 36.837 1.680 1.00 7.25 C ATOM 1260 O ASP A 130 -16.866 36.542 0.683 1.00 7.42 O ATOM 1261 CB ASP A 130 -16.978 35.462 3.565 1.00 7.84 C ATOM 1262 CG ASP A 130 -16.855 34.124 4.304 1.00 8.60 C ATOM 1263 OD1 ASP A 130 -16.252 33.182 3.798 1.00 8.59 O ATOM 1264 OD2 ASP A 130 -17.438 34.066 5.367 1.00 9.14 O ATOM 1265 H ASP A 130 -14.555 36.102 4.320 1.00 0.00 H ATOM 1266 N ILE A 131 -16.045 38.083 2.060 1.00 7.18 N ATOM 1267 CA ILE A 131 -16.443 39.237 1.261 1.00 8.21 C ATOM 1268 C ILE A 131 -15.353 40.049 0.578 1.00 8.75 C ATOM 1269 O ILE A 131 -15.681 40.891 -0.270 1.00 9.61 O ATOM 1270 CB ILE A 131 -17.357 40.188 2.072 1.00 8.35 C ATOM 1271 CG1 ILE A 131 -16.661 40.748 3.291 1.00 9.14 C ATOM 1272 CG2 ILE A 131 -18.633 39.450 2.537 1.00 8.69 C ATOM 1273 CD1 ILE A 131 -17.394 41.898 3.942 1.00 9.80 C ATOM 1274 H ILE A 131 -15.552 38.244 2.961 1.00 0.00 H ATOM 1275 N ALA A 132 -14.090 39.829 0.954 1.00 7.91 N ATOM 1276 CA ALA A 132 -12.968 40.679 0.547 1.00 7.98 C ATOM 1277 C ALA A 132 -11.707 39.876 0.302 1.00 8.43 C ATOM 1278 O ALA A 132 -10.594 40.367 0.524 1.00 7.07 O ATOM 1279 CB ALA A 132 -12.728 41.718 1.590 1.00 9.15 C ATOM 1280 H ALA A 132 -13.893 39.012 1.567 1.00 0.00 H ATOM 1281 N ALA A 133 -11.872 38.669 -0.240 1.00 7.78 N ATOM 1282 CA ALA A 133 -10.730 37.790 -0.505 1.00 7.18 C ATOM 1283 C ALA A 133 -9.587 38.474 -1.283 1.00 7.88 C ATOM 1284 O ALA A 133 -8.432 38.167 -1.018 1.00 7.72 O ATOM 1285 CB ALA A 133 -11.203 36.554 -1.233 1.00 8.25 C ATOM 1286 H ALA A 133 -12.831 38.345 -0.480 1.00 0.00 H ATOM 1287 N ASN A 134 -9.912 39.289 -2.301 1.00 8.10 N ATOM 1288 CA ASN A 134 -8.908 39.868 -3.175 1.00 9.79 C ATOM 1289 C ASN A 134 -8.471 41.263 -2.755 1.00 9.41 C ATOM 1290 O ASN A 134 -7.708 41.915 -3.473 1.00 9.16 O ATOM 1291 CB ASN A 134 -9.411 39.876 -4.622 1.00 11.78 C ATOM 1292 CG ASN A 134 -9.476 38.472 -5.193 1.00 14.74 C ATOM 1293 OD1 ASN A 134 -8.630 37.634 -4.887 1.00 17.30 O ATOM 1294 ND2 ASN A 134 -10.466 38.207 -6.006 1.00 16.41 N ATOM 1295 HD22 ASN A 134 -11.160 38.946 -6.238 1.00 0.00 H ATOM 1296 HD21 ASN A 134 -10.559 37.258 -6.420 1.00 0.00 H ATOM 1297 H ASN A 134 -10.914 39.512 -2.468 1.00 0.00 H ATOM 1298 N VAL A 135 -8.968 41.742 -1.639 1.00 9.14 N ATOM 1299 CA VAL A 135 -8.587 43.059 -1.121 1.00 9.42 C ATOM 1300 C VAL A 135 -7.212 42.956 -0.492 1.00 10.23 C ATOM 1301 O VAL A 135 -6.947 42.051 0.263 1.00 9.39 O ATOM 1302 CB VAL A 135 -9.649 43.604 -0.138 1.00 10.65 C ATOM 1303 CG1 VAL A 135 -9.168 44.871 0.568 1.00 12.87 C ATOM 1304 CG2 VAL A 135 -10.945 43.861 -0.919 1.00 11.03 C ATOM 1305 H VAL A 135 -9.653 41.170 -1.106 1.00 0.00 H ATOM 1306 N VAL A 136 -6.338 43.914 -0.788 1.00 10.72 N ATOM 1307 CA VAL A 136 -4.977 43.920 -0.233 1.00 11.73 C ATOM 1308 C VAL A 136 -5.000 44.599 1.120 1.00 11.75 C ATOM 1309 O VAL A 136 -5.568 45.691 1.241 1.00 11.86 O ATOM 1310 CB VAL A 136 -3.997 44.669 -1.172 1.00 12.26 C ATOM 1311 CG1 VAL A 136 -2.628 44.795 -0.499 1.00 14.69 C ATOM 1312 CG2 VAL A 136 -3.925 43.967 -2.521 1.00 13.24 C ATOM 1313 H VAL A 136 -6.626 44.680 -1.430 1.00 0.00 H ATOM 1314 N GLU A 137 -4.437 43.934 2.144 1.00 11.22 N ATOM 1315 CA GLU A 137 -4.277 44.498 3.486 1.00 11.12 C ATOM 1316 C GLU A 137 -2.973 45.313 3.421 1.00 10.57 C ATOM 1317 O GLU A 137 -1.918 44.750 3.119 1.00 9.80 O ATOM 1318 CB GLU A 137 -4.212 43.351 4.496 1.00 11.80 C ATOM 1319 CG GLU A 137 -4.223 43.791 5.943 1.00 12.21 C ATOM 1320 CD GLU A 137 -2.932 44.407 6.338 1.00 13.56 C ATOM 1321 OE1 GLU A 137 -1.880 43.710 6.268 1.00 11.96 O ATOM 1322 OE2 GLU A 137 -2.910 45.607 6.686 1.00 13.82 O ATOM 1323 H GLU A 137 -4.097 42.966 1.974 1.00 0.00 H ATOM 1324 N PRO A 138 -3.031 46.643 3.609 1.00 9.34 N ATOM 1325 CA PRO A 138 -1.899 47.518 3.290 1.00 9.49 C ATOM 1326 C PRO A 138 -0.614 47.337 4.092 1.00 10.29 C ATOM 1327 O PRO A 138 0.449 47.643 3.553 1.00 11.37 O ATOM 1328 CB PRO A 138 -2.458 48.932 3.495 1.00 10.76 C ATOM 1329 CG PRO A 138 -3.882 48.799 3.585 1.00 9.84 C ATOM 1330 CD PRO A 138 -4.288 47.403 3.778 1.00 9.80 C ATOM 1331 N ARG A 139 -0.710 46.895 5.345 1.00 10.87 N ATOM 1332 CA ARG A 139 0.496 46.709 6.190 1.00 12.48 C ATOM 1333 C ARG A 139 1.337 45.527 5.669 1.00 11.37 C ATOM 1334 O ARG A 139 2.535 45.676 5.385 1.00 13.29 O ATOM 1335 CB ARG A 139 0.102 46.508 7.651 1.00 14.18 C ATOM 1336 CG ARG A 139 -0.610 47.720 8.282 1.00 15.81 C ATOM 1337 CD ARG A 139 -0.988 47.385 9.742 1.00 17.69 C ATOM 1338 NE ARG A 139 -1.867 48.374 10.414 1.00 14.19 N ATOM 1339 CZ ARG A 139 -1.428 49.565 10.789 1.00 13.68 C ATOM 1340 NH1 ARG A 139 -0.142 49.878 10.620 1.00 14.45 N ATOM 1341 NH2 ARG A 139 -2.233 50.439 11.356 1.00 12.86 N ATOM 1342 HE ARG A 139 -2.860 48.123 10.596 1.00 0.00 H ATOM 1343 HH12 ARG A 139 0.209 50.812 10.913 1.00 0.00 H ATOM 1344 HH11 ARG A 139 0.510 49.188 10.196 1.00 0.00 H ATOM 1345 HH22 ARG A 139 -1.870 51.370 11.644 1.00 0.00 H ATOM 1346 HH21 ARG A 139 -3.232 50.198 11.516 1.00 0.00 H ATOM 1347 H ARG A 139 -1.647 46.676 5.738 1.00 0.00 H ATOM 1348 N SER A 140 0.675 44.405 5.436 1.00 10.80 N ATOM 1349 CA SER A 140 1.351 43.162 4.968 1.00 10.42 C ATOM 1350 C SER A 140 1.555 43.172 3.468 1.00 10.63 C ATOM 1351 O SER A 140 2.414 42.444 2.953 1.00 10.63 O ATOM 1352 CB SER A 140 0.521 41.938 5.350 1.00 11.26 C ATOM 1353 OG SER A 140 -0.712 41.920 4.647 1.00 10.83 O ATOM 1354 HG SER A 140 -1.228 42.736 4.867 1.00 0.00 H ATOM 1355 H SER A 140 -0.354 44.390 5.585 1.00 0.00 H ATOM 1356 N LYS A 141 0.775 44.002 2.756 1.00 9.51 N ATOM 1357 CA LYS A 141 0.724 44.013 1.310 1.00 11.34 C ATOM 1358 C LYS A 141 0.257 42.667 0.738 1.00 11.79 C ATOM 1359 O LYS A 141 0.521 42.365 -0.446 1.00 12.18 O ATOM 1360 CB LYS A 141 2.086 44.413 0.720 1.00 11.70 C ATOM 1361 CG LYS A 141 2.466 45.818 1.099 1.00 11.70 C ATOM 1362 CD LYS A 141 3.839 46.148 0.535 1.00 15.01 C ATOM 1363 CE LYS A 141 4.244 47.524 0.979 1.00 16.28 C ATOM 1364 NZ LYS A 141 3.377 48.506 0.311 1.00 19.08 N ATOM 1365 HZ1 LYS A 141 3.487 48.419 -0.720 1.00 0.00 H ATOM 1366 HZ2 LYS A 141 2.386 48.326 0.572 1.00 0.00 H ATOM 1367 HZ3 LYS A 141 3.647 49.465 0.610 1.00 0.00 H ATOM 1368 H LYS A 141 0.174 44.675 3.273 1.00 0.00 H ATOM 1369 N LEU A 142 -0.465 41.894 1.541 1.00 10.87 N ATOM 1370 CA LEU A 142 -1.038 40.614 1.105 1.00 11.12 C ATOM 1371 C LEU A 142 -2.546 40.724 0.945 1.00 10.09 C ATOM 1372 O LEU A 142 -3.209 41.418 1.706 1.00 11.12 O ATOM 1373 CB LEU A 142 -0.732 39.517 2.114 1.00 12.23 C ATOM 1374 CG LEU A 142 0.733 39.118 2.266 1.00 14.25 C ATOM 1375 CD1 LEU A 142 0.925 38.150 3.428 1.00 15.76 C ATOM 1376 CD2 LEU A 142 1.209 38.511 0.995 1.00 16.27 C ATOM 1377 H LEU A 142 -0.631 42.208 2.518 1.00 0.00 H ATOM 1378 N LYS A 143 -3.089 39.994 -0.017 1.00 10.53 N ATOM 1379 CA LYS A 143 -4.542 39.890 -0.117 1.00 10.01 C ATOM 1380 C LYS A 143 -5.079 39.114 1.085 1.00 8.85 C ATOM 1381 O LYS A 143 -4.444 38.209 1.617 1.00 9.65 O ATOM 1382 CB LYS A 143 -4.961 39.212 -1.432 1.00 11.22 C ATOM 1383 CG LYS A 143 -4.614 40.026 -2.670 1.00 14.17 C ATOM 1384 CD LYS A 143 -5.026 39.286 -3.937 1.00 17.83 C ATOM 1385 CE LYS A 143 -4.605 39.986 -5.213 1.00 26.14 C ATOM 1386 NZ LYS A 143 -5.165 41.366 -5.295 1.00 31.00 N ATOM 1387 HZ1 LYS A 143 -6.204 41.319 -5.274 1.00 0.00 H ATOM 1388 HZ2 LYS A 143 -4.825 41.925 -4.487 1.00 0.00 H ATOM 1389 HZ3 LYS A 143 -4.855 41.813 -6.182 1.00 0.00 H ATOM 1390 H LYS A 143 -2.482 39.496 -0.699 1.00 0.00 H ATOM 1391 N VAL A 144 -6.308 39.435 1.471 1.00 9.29 N ATOM 1392 CA VAL A 144 -6.978 38.727 2.561 1.00 8.85 C ATOM 1393 C VAL A 144 -6.934 37.222 2.385 1.00 8.69 C ATOM 1394 O VAL A 144 -6.671 36.485 3.352 1.00 8.20 O ATOM 1395 CB VAL A 144 -8.418 39.260 2.774 1.00 8.57 C ATOM 1396 CG1 VAL A 144 -9.170 38.440 3.814 1.00 9.84 C ATOM 1397 CG2 VAL A 144 -8.363 40.752 3.149 1.00 9.43 C ATOM 1398 H VAL A 144 -6.806 40.209 0.986 1.00 0.00 H ATOM 1399 N LYS A 145 -7.099 36.732 1.151 1.00 8.33 N ATOM 1400 CA LYS A 145 -7.130 35.281 0.934 1.00 8.93 C ATOM 1401 C LYS A 145 -5.792 34.622 1.232 1.00 9.07 C ATOM 1402 O LYS A 145 -5.733 33.399 1.384 1.00 9.42 O ATOM 1403 CB LYS A 145 -7.572 34.948 -0.490 1.00 9.05 C ATOM 1404 CG LYS A 145 -6.588 35.370 -1.565 1.00 9.27 C ATOM 1405 CD LYS A 145 -7.207 35.140 -2.951 1.00 10.37 C ATOM 1406 CE LYS A 145 -6.289 35.658 -4.031 1.00 12.98 C ATOM 1407 NZ LYS A 145 -6.866 35.542 -5.409 1.00 15.06 N ATOM 1408 HZ1 LYS A 145 -7.062 34.542 -5.618 1.00 0.00 H ATOM 1409 HZ2 LYS A 145 -7.749 36.088 -5.461 1.00 0.00 H ATOM 1410 HZ3 LYS A 145 -6.185 35.915 -6.101 1.00 0.00 H ATOM 1411 H LYS A 145 -7.205 37.380 0.345 1.00 0.00 H ATOM 1412 N ASP A 146 -4.730 35.434 1.228 1.00 9.31 N ATOM 1413 CA ASP A 146 -3.382 34.960 1.571 1.00 9.54 C ATOM 1414 C ASP A 146 -2.999 35.124 3.036 1.00 9.09 C ATOM 1415 O ASP A 146 -1.943 34.647 3.446 1.00 10.61 O ATOM 1416 CB ASP A 146 -2.356 35.584 0.620 1.00 10.33 C ATOM 1417 CG ASP A 146 -2.557 35.118 -0.804 1.00 12.44 C ATOM 1418 OD1 ASP A 146 -2.866 33.920 -0.997 1.00 13.04 O ATOM 1419 OD2 ASP A 146 -2.404 35.933 -1.725 1.00 16.25 O ATOM 1420 H ASP A 146 -4.862 36.434 0.974 1.00 0.00 H ATOM 1421 N LEU A 147 -3.856 35.769 3.801 1.00 8.49 N ATOM 1422 CA LEU A 147 -3.730 35.924 5.254 1.00 8.89 C ATOM 1423 C LEU A 147 -4.598 34.963 6.046 1.00 8.73 C ATOM 1424 O LEU A 147 -4.217 34.496 7.118 1.00 8.36 O ATOM 1425 CB LEU A 147 -4.131 37.348 5.605 1.00 8.81 C ATOM 1426 CG LEU A 147 -3.197 38.450 5.126 1.00 9.54 C ATOM 1427 CD1 LEU A 147 -3.856 39.818 5.281 1.00 10.59 C ATOM 1428 CD2 LEU A 147 -1.960 38.466 6.009 1.00 10.54 C ATOM 1429 H LEU A 147 -4.683 36.200 3.341 1.00 0.00 H ATOM 1430 N VAL A 148 -5.777 34.638 5.519 1.00 8.66 N ATOM 1431 CA VAL A 148 -6.714 33.778 6.212 1.00 8.47 C ATOM 1432 C VAL A 148 -6.164 32.388 6.510 1.00 8.95 C ATOM 1433 O VAL A 148 -5.371 31.800 5.722 1.00 8.44 O ATOM 1434 CB VAL A 148 -8.084 33.727 5.447 1.00 8.75 C ATOM 1435 CG1 VAL A 148 -7.962 33.019 4.092 1.00 9.55 C ATOM 1436 CG2 VAL A 148 -9.148 33.128 6.347 1.00 9.06 C ATOM 1437 H VAL A 148 -6.032 35.012 4.583 1.00 0.00 H ATOM 1438 N PHE A 149 -6.536 31.876 7.679 1.00 9.05 N ATOM 1439 CA PHE A 149 -6.090 30.556 8.133 1.00 9.95 C ATOM 1440 C PHE A 149 -7.202 29.772 8.832 1.00 10.39 C ATOM 1441 O PHE A 149 -8.176 30.341 9.312 1.00 10.57 O ATOM 1442 CB PHE A 149 -4.875 30.697 9.052 1.00 10.25 C ATOM 1443 CG PHE A 149 -5.102 31.613 10.235 1.00 10.13 C ATOM 1444 CD1 PHE A 149 -5.670 31.135 11.425 1.00 9.93 C ATOM 1445 CD2 PHE A 149 -4.726 32.945 10.161 1.00 9.44 C ATOM 1446 CE1 PHE A 149 -5.895 32.001 12.485 1.00 9.95 C ATOM 1447 CE2 PHE A 149 -4.934 33.817 11.222 1.00 10.18 C ATOM 1448 CZ PHE A 149 -5.510 33.322 12.400 1.00 10.34 C ATOM 1449 H PHE A 149 -7.165 32.432 8.293 1.00 0.00 H ATOM 1450 N VAL A 150 -7.007 28.467 8.915 1.00 12.32 N ATOM 1451 CA VAL A 150 -8.012 27.573 9.498 1.00 13.87 C ATOM 1452 C VAL A 150 -8.046 27.782 11.003 1.00 13.17 C ATOM 1453 O VAL A 150 -7.004 27.908 11.625 1.00 12.49 O ATOM 1454 CB VAL A 150 -7.724 26.091 9.138 1.00 15.19 C ATOM 1455 CG1 VAL A 150 -8.680 25.144 9.865 1.00 16.67 C ATOM 1456 CG2 VAL A 150 -7.806 25.896 7.630 1.00 15.55 C ATOM 1457 H VAL A 150 -6.117 28.064 8.557 1.00 0.00 H ATOM 1458 N ASP A 151 -9.242 27.875 11.573 1.00 12.10 N ATOM 1459 CA ASP A 151 -9.387 27.969 13.017 1.00 12.69 C ATOM 1460 C ASP A 151 -10.700 27.299 13.446 1.00 12.93 C ATOM 1461 O ASP A 151 -11.769 27.823 13.195 1.00 11.23 O ATOM 1462 CB ASP A 151 -9.294 29.417 13.460 1.00 12.79 C ATOM 1463 CG ASP A 151 -9.246 29.582 14.968 1.00 15.86 C ATOM 1464 OD1 ASP A 151 -9.777 28.738 15.737 1.00 14.67 O ATOM 1465 OD2 ASP A 151 -8.688 30.612 15.402 1.00 19.96 O ATOM 1466 H ASP A 151 -10.092 27.881 10.974 1.00 0.00 H ATOM 1467 N ASP A 152 -10.582 26.156 14.120 1.00 13.43 N ATOM 1468 CA ASP A 152 -11.764 25.354 14.461 1.00 15.92 C ATOM 1469 C ASP A 152 -12.636 26.010 15.544 1.00 15.29 C ATOM 1470 O ASP A 152 -13.751 25.517 15.814 1.00 15.46 O ATOM 1471 CB ASP A 152 -11.382 23.931 14.901 1.00 18.84 C ATOM 1472 CG ASP A 152 -10.654 23.146 13.817 1.00 22.23 C ATOM 1473 OD1 ASP A 152 -10.670 23.512 12.608 1.00 24.81 O ATOM 1474 OD2 ASP A 152 -10.022 22.153 14.198 1.00 28.18 O ATOM 1475 H ASP A 152 -9.639 25.827 14.409 1.00 0.00 H ATOM 1476 N SER A 153 -12.147 27.091 16.162 1.00 12.87 N ATOM 1477 CA SER A 153 -12.947 27.835 17.143 1.00 13.40 C ATOM 1478 C SER A 153 -13.884 28.818 16.484 1.00 12.27 C ATOM 1479 O SER A 153 -14.640 29.488 17.185 1.00 13.02 O ATOM 1480 CB SER A 153 -12.061 28.564 18.158 1.00 13.94 C ATOM 1481 OG SER A 153 -11.425 29.716 17.602 1.00 14.21 O ATOM 1482 HG SER A 153 -10.855 29.442 16.841 1.00 0.00 H ATOM 1483 H SER A 153 -11.182 27.411 15.943 1.00 0.00 H ATOM 1484 N VAL A 154 -13.828 28.926 15.153 1.00 12.74 N ATOM 1485 CA VAL A 154 -14.698 29.813 14.375 1.00 11.40 C ATOM 1486 C VAL A 154 -15.658 28.891 13.635 1.00 12.30 C ATOM 1487 O VAL A 154 -15.222 28.085 12.827 1.00 11.89 O ATOM 1488 CB VAL A 154 -13.874 30.690 13.421 1.00 11.51 C ATOM 1489 CG1 VAL A 154 -14.771 31.537 12.503 1.00 10.72 C ATOM 1490 CG2 VAL A 154 -12.952 31.583 14.238 1.00 11.63 C ATOM 1491 H VAL A 154 -13.129 28.350 14.642 1.00 0.00 H ATOM 1492 N LYS A 155 -16.939 28.986 13.951 1.00 10.81 N ATOM 1493 CA LYS A 155 -17.948 28.067 13.407 1.00 12.32 C ATOM 1494 C LYS A 155 -19.024 28.880 12.674 1.00 10.55 C ATOM 1495 O LYS A 155 -19.431 29.937 13.116 1.00 9.27 O ATOM 1496 CB LYS A 155 -18.605 27.262 14.524 1.00 15.09 C ATOM 1497 CG LYS A 155 -17.727 26.167 15.123 1.00 20.69 C ATOM 1498 CD LYS A 155 -18.183 25.806 16.518 1.00 27.24 C ATOM 1499 CE LYS A 155 -17.548 24.521 17.037 1.00 32.67 C ATOM 1500 NZ LYS A 155 -16.130 24.320 16.615 1.00 35.44 N ATOM 1501 HZ1 LYS A 155 -16.080 24.286 15.577 1.00 0.00 H ATOM 1502 HZ2 LYS A 155 -15.550 25.109 16.966 1.00 0.00 H ATOM 1503 HZ3 LYS A 155 -15.776 23.425 17.010 1.00 0.00 H ATOM 1504 H LYS A 155 -17.242 29.735 14.606 1.00 0.00 H ATOM 1505 N ARG A 156 -19.488 28.362 11.540 1.00 10.83 N ATOM 1506 CA ARG A 156 -20.637 28.942 10.866 1.00 12.57 C ATOM 1507 C ARG A 156 -21.846 28.925 11.814 1.00 11.39 C ATOM 1508 O ARG A 156 -22.124 27.921 12.473 1.00 12.47 O ATOM 1509 CB ARG A 156 -20.985 28.089 9.646 1.00 15.49 C ATOM 1510 CG ARG A 156 -19.873 28.001 8.615 1.00 17.72 C ATOM 1511 CD ARG A 156 -20.308 27.104 7.453 1.00 18.52 C ATOM 1512 NE ARG A 156 -20.467 25.695 7.845 1.00 22.27 N ATOM 1513 CZ ARG A 156 -19.464 24.835 8.040 1.00 25.00 C ATOM 1514 NH1 ARG A 156 -18.193 25.200 7.896 1.00 27.90 N ATOM 1515 NH2 ARG A 156 -19.730 23.576 8.372 1.00 28.69 N ATOM 1516 HE ARG A 156 -21.435 25.341 7.981 1.00 0.00 H ATOM 1517 HH12 ARG A 156 -17.432 24.509 8.054 1.00 0.00 H ATOM 1518 HH11 ARG A 156 -17.960 26.177 7.625 1.00 0.00 H ATOM 1519 HH22 ARG A 156 -18.952 22.903 8.525 1.00 0.00 H ATOM 1520 HH21 ARG A 156 -20.716 23.264 8.479 1.00 0.00 H ATOM 1521 H ARG A 156 -19.021 27.529 11.129 1.00 0.00 H ATOM 1522 N TYR A 157 -22.538 30.037 11.913 1.00 12.63 N ATOM 1523 CA TYR A 157 -23.654 30.136 12.839 1.00 14.56 C ATOM 1524 C TYR A 157 -24.985 29.905 12.134 1.00 19.48 C ATOM 1525 O TYR A 157 -25.328 30.720 11.307 1.00 26.04 O ATOM 1526 CB TYR A 157 -23.635 31.509 13.473 1.00 16.01 C ATOM 1527 CG TYR A 157 -24.633 31.664 14.579 1.00 14.42 C ATOM 1528 CD1 TYR A 157 -24.535 30.878 15.728 1.00 16.95 C ATOM 1529 CD2 TYR A 157 -25.647 32.581 14.484 1.00 16.46 C ATOM 1530 CE1 TYR A 157 -25.419 31.026 16.777 1.00 18.70 C ATOM 1531 CE2 TYR A 157 -26.565 32.720 15.510 1.00 18.18 C ATOM 1532 CZ TYR A 157 -26.440 31.957 16.650 1.00 19.65 C ATOM 1533 OH TYR A 157 -27.333 32.114 17.721 1.00 26.03 O ATOM 1534 HH TYR A 157 -28.254 31.922 17.412 1.00 0.00 H ATOM 1535 H TYR A 157 -22.285 30.855 11.323 1.00 0.00 H TER 1536 TYR A 157 HETATM 1537 MG MG A 1 -12.779 44.553 18.759 1.00 10.33 MG HETATM 1538 MG MG A 2 -13.796 47.918 19.306 1.00 11.24 MG HETATM 1539 O HOH 3 -1.524 46.063 18.255 1.00 18.51 O HETATM 1540 O HOH 4 -26.592 56.063 4.890 1.00 14.29 O HETATM 1541 O HOH 5 -29.007 33.888 17.073 1.00 30.90 O HETATM 1542 O HOH 6 -13.500 50.481 25.635 1.00 25.19 O HETATM 1543 O HOH 7 -27.607 35.135 24.763 1.00 24.51 O HETATM 1544 O HOH 8 -18.122 37.121 -1.534 1.00 23.06 O HETATM 1545 O HOH 9 -17.349 30.968 27.207 1.00 27.34 O HETATM 1546 O HOH 10 -7.219 45.345 22.177 1.00 32.33 O HETATM 1547 O HOH 11 -26.638 46.928 27.956 1.00 27.13 O HETATM 1548 O HOH 12 2.413 56.209 15.065 1.00 40.18 O HETATM 1549 O HOH 13 -24.869 37.678 7.793 1.00 30.11 O HETATM 1550 O HOH 14 0.753 49.179 1.395 1.00 28.92 O HETATM 1551 O HOH 15 -17.236 43.116 0.104 1.00 22.88 O HETATM 1552 O HOH 16 -5.827 56.150 -0.850 1.00 24.56 O HETATM 1553 O HOH 17 -1.830 56.157 4.428 1.00 27.52 O HETATM 1554 O HOH 18 -22.722 29.978 22.497 1.00 26.84 O HETATM 1555 O HOH 19 -19.289 45.776 -3.456 1.00 30.51 O HETATM 1556 O HOH 20 -7.320 59.143 0.823 1.00 24.88 O HETATM 1557 O HOH 21 -4.300 32.061 3.256 1.00 25.92 O HETATM 1558 O HOH 22 -12.771 43.343 20.514 1.00 12.45 O HETATM 1559 O HOH 23 -15.397 51.248 21.524 1.00 28.25 O HETATM 1560 O HOH 24 -12.377 64.351 10.596 1.00 27.20 O HETATM 1561 O HOH 25 -28.476 46.105 23.184 1.00 27.85 O HETATM 1562 O HOH 26 -14.853 49.557 18.705 1.00 11.11 O HETATM 1563 O HOH 27 -16.241 45.989 26.982 1.00 21.61 O HETATM 1564 O HOH 28 -11.866 48.878 19.002 1.00 11.96 O HETATM 1565 O HOH 29 -1.362 38.453 -1.700 1.00 24.24 O HETATM 1566 O HOH 30 -7.629 33.118 15.638 1.00 20.62 O HETATM 1567 O HOH 31 1.578 54.169 10.021 1.00 36.44 O HETATM 1568 O HOH 32 -14.458 53.423 22.936 1.00 27.24 O HETATM 1569 O HOH 33 -0.415 57.724 8.265 1.00 20.07 O HETATM 1570 O HOH 34 -10.317 39.509 25.751 1.00 19.46 O HETATM 1571 O HOH 35 -2.512 35.851 8.814 1.00 21.82 O HETATM 1572 O HOH 36 -8.271 49.021 19.997 1.00 19.68 O HETATM 1573 O HOH 37 -11.838 43.352 15.291 1.00 13.67 O HETATM 1574 O HOH 38 -21.915 31.175 8.693 1.00 23.56 O HETATM 1575 O HOH 39 -17.041 30.558 4.196 1.00 17.38 O HETATM 1576 O HOH 40 -9.457 44.129 23.575 1.00 18.64 O HETATM 1577 O HOH 41 -24.763 34.140 8.514 1.00 33.60 O HETATM 1578 O HOH 42 -8.080 33.054 9.879 1.00 16.53 O HETATM 1579 O HOH 43 -7.733 30.741 18.006 1.00 41.84 O HETATM 1580 O HOH 44 -18.756 52.758 22.928 1.00 35.36 O HETATM 1581 O HOH 45 -4.334 27.280 11.169 1.00 32.20 O HETATM 1582 O HOH 46 -7.327 54.077 -0.748 1.00 19.46 O HETATM 1583 O HOH 47 -22.717 33.646 23.893 1.00 14.04 O HETATM 1584 O HOH 48 -15.966 42.306 19.900 1.00 13.85 O HETATM 1585 O HOH 49 -13.546 32.720 4.595 1.00 18.07 O HETATM 1586 O HOH 50 -14.148 28.178 10.226 1.00 30.87 O HETATM 1587 O HOH 51 -4.749 59.289 19.195 1.00 30.54 O HETATM 1588 O HOH 52 -6.975 45.919 -2.680 1.00 22.63 O HETATM 1589 O HOH 53 -12.315 32.394 17.897 1.00 15.42 O HETATM 1590 O HOH 54 -6.968 50.485 5.105 1.00 10.82 O HETATM 1591 O HOH 55 -16.966 49.551 32.041 1.00 34.92 O HETATM 1592 O HOH 56 -28.775 35.729 18.703 1.00 18.68 O HETATM 1593 O HOH 57 -4.705 27.472 7.566 1.00 32.28 O HETATM 1594 O HOH 58 -10.423 60.404 3.550 1.00 29.19 O HETATM 1595 O HOH 59 -10.777 49.073 2.021 1.00 24.20 O HETATM 1596 O HOH 60 -13.053 42.731 17.835 1.00 12.69 O HETATM 1597 O HOH 61 -11.771 53.133 -1.545 1.00 29.76 O HETATM 1598 O HOH 62 -27.377 35.034 20.790 1.00 17.78 O HETATM 1599 O HOH 63 -24.191 46.749 -2.774 1.00 38.23 O HETATM 1600 O HOH 64 -10.022 48.525 29.169 1.00 28.95 O HETATM 1601 O HOH 65 -15.338 40.099 12.898 1.00 12.68 O HETATM 1602 O HOH 66 -25.787 58.072 3.386 1.00 33.78 O HETATM 1603 O HOH 67 -32.907 36.904 17.663 1.00 41.52 O HETATM 1604 O HOH 68 3.183 48.321 4.394 1.00 37.67 O HETATM 1605 O HOH 69 -2.944 42.945 11.537 1.00 24.46 O HETATM 1606 O HOH 70 -22.801 61.046 9.652 1.00 45.87 O HETATM 1607 O HOH 71 -7.742 31.369 0.734 1.00 32.81 O HETATM 1608 O HOH 72 -30.372 41.332 24.220 1.00 26.73 O HETATM 1609 O HOH 73 2.342 48.840 9.451 1.00 38.07 O HETATM 1610 O HOH 74 -11.571 27.384 9.854 1.00 20.86 O HETATM 1611 O HOH 75 0.448 56.799 10.694 1.00 16.85 O HETATM 1612 O HOH 76 -22.239 56.377 1.003 1.00 43.09 O HETATM 1613 O HOH 77 -9.204 31.640 22.689 1.00 32.22 O HETATM 1614 O HOH 78 -10.512 33.763 16.129 1.00 17.22 O HETATM 1615 O HOH 79 -9.903 60.398 6.404 1.00 31.93 O HETATM 1616 O HOH 80 -12.533 40.394 -3.111 1.00 21.64 O HETATM 1617 O HOH 81 -16.395 27.510 8.345 1.00 35.20 O HETATM 1618 O HOH 82 -29.672 44.594 9.152 1.00 40.31 O HETATM 1619 O HOH 83 -15.973 29.507 6.432 1.00 28.46 O HETATM 1620 O HOH 84 -15.834 43.554 16.319 1.00 15.91 O HETATM 1621 O HOH 85 3.885 51.389 1.054 1.00 42.74 O HETATM 1622 O HOH 86 -3.228 44.905 9.902 1.00 27.28 O HETATM 1623 O HOH 87 -27.453 54.337 2.811 1.00 42.22 O HETATM 1624 O HOH 88 -7.785 25.262 14.875 1.00 38.34 O HETATM 1625 O HOH 89 -28.689 57.418 5.150 1.00 34.73 O HETATM 1626 O HOH 90 -18.776 25.403 11.320 1.00 33.10 O HETATM 1627 O HOH 91 -7.152 33.362 23.112 1.00 29.85 O HETATM 1628 O HOH 92 -9.158 43.120 14.320 1.00 14.46 O HETATM 1629 O HOH 93 -11.014 48.512 -0.673 1.00 29.01 O HETATM 1630 O HOH 94 -12.151 57.306 20.816 1.00 37.03 O HETATM 1631 O HOH 95 0.707 49.431 14.635 1.00 35.34 O HETATM 1632 O HOH 96 -1.004 48.282 -0.468 1.00 31.00 O HETATM 1633 O HOH 97 -9.468 30.151 20.258 1.00 49.88 O HETATM 1634 O HOH 98 -5.300 33.334 17.359 1.00 52.45 O HETATM 1635 O HOH 99 -14.236 42.288 14.418 1.00 14.40 O HETATM 1636 O HOH 100 -31.387 43.043 22.251 1.00 42.92 O HETATM 1637 O HOH 101 -9.965 51.009 -1.663 1.00 35.48 O HETATM 1638 O HOH 102 -28.796 45.495 26.328 1.00 39.25 O HETATM 1639 O HOH 103 -11.869 30.348 5.403 1.00 38.95 O HETATM 1640 C1 UNN A 104 -7.529 40.702 23.138 1.00 -0.04 C HETATM 1641 C3 UNN A 104 -6.419 40.289 23.848 1.00 -0.05 C HETATM 1642 C7 UNN A 104 -5.670 39.216 23.443 1.00 0.02 C HETATM 1643 C4 UNN A 104 -6.031 38.528 22.298 1.00 -0.05 C HETATM 1644 C2 UNN A 104 -7.134 38.944 21.577 1.00 -0.04 C HETATM 1645 C5 UNN A 104 -7.893 40.033 21.988 1.00 0.04 C HETATM 1646 C12 UNN A 104 -9.088 40.446 21.215 1.00 0.15 C HETATM 1647 C13 UNN A 104 -9.934 41.667 21.576 1.00 0.10 C HETATM 1648 S21 UNN A 104 -11.194 41.370 22.878 1.00 0.03 S HETATM 1649 C11 UNN A 104 -12.087 40.271 21.852 1.00 0.26 C HETATM 1650 N15 UNN A 104 -12.001 38.921 21.972 1.00 -0.19 N HETATM 1651 C8 UNN A 104 -12.810 38.422 20.978 1.00 0.26 C HETATM 1652 C6 UNN A 104 -13.357 39.502 20.335 1.00 0.30 C HETATM 1653 C9 UNN A 104 -14.258 39.264 19.232 1.00 0.30 C HETATM 1654 N16 UNN A 104 -14.399 37.916 19.004 1.00 -0.24 N HETATM 1655 C10 UNN A 104 -13.795 36.901 19.729 1.00 0.19 C HETATM 1656 N14 UNN A 104 -12.998 37.122 20.734 1.00 -0.23 N HETATM 1657 H7 UNN A 104 -12.557 36.371 21.285 1.00 0.24 H HETATM 1658 N18 UNN A 104 -14.124 35.633 19.301 1.00 -0.34 N HETATM 1659 H10 UNN A 104 -13.726 34.810 19.776 1.00 0.18 H HETATM 1660 H11 UNN A 104 -14.768 35.508 18.506 1.00 0.18 H HETATM 1661 H8 UNN A 104 -14.991 37.643 18.246 1.00 0.18 H HETATM 1662 O20 UNN A 104 -14.834 40.102 18.567 1.00 -0.34 O HETATM 1663 N17 UNN A 104 -12.890 40.669 20.897 1.00 -0.15 N HETATM 1664 H9 UNN A 104 -13.120 41.636 20.627 1.00 0.27 H HETATM 1665 H5 UNN A 104 -10.454 42.005 20.667 1.00 0.07 H HETATM 1666 H6 UNN A 104 -9.258 42.460 21.928 1.00 0.07 H HETATM 1667 O19 UNN A 104 -9.411 39.755 20.265 1.00 -0.38 O HETATM 1668 H2 UNN A 104 -7.412 38.411 20.675 1.00 0.07 H HETATM 1669 H4 UNN A 104 -5.454 37.671 21.970 1.00 0.07 H HETATM 1670 BR1 UNN A 104 -4.166 38.739 24.508 1.00 -0.05 BR HETATM 1671 H3 UNN A 104 -6.134 40.826 24.746 1.00 0.07 H HETATM 1672 H1 UNN A 104 -8.112 41.548 23.483 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 749 741 750 757 CONECT 750 749 751 753 CONECT 751 750 752 758 CONECT 752 751 CONECT 753 750 754 CONECT 754 753 755 CONECT 755 754 756 CONECT 756 755 CONECT 757 749 CONECT 930 929 1538 CONECT 931 929 1537 CONECT 947 946 1538 CONECT 948 946 1537 CONECT 1537 931 948 CONECT 1538 930 947 CONECT 1640 1641 1645 1672 CONECT 1641 1640 1642 1671 CONECT 1642 1641 1643 1670 CONECT 1643 1642 1644 1669 CONECT 1644 1643 1645 1668 CONECT 1645 1640 1644 1646 CONECT 1646 1645 1647 1667 CONECT 1647 1646 1648 1665 1666 CONECT 1648 1647 1649 CONECT 1649 1648 1650 1663 CONECT 1650 1649 1651 CONECT 1651 1650 1652 1656 CONECT 1652 1651 1653 1663 CONECT 1653 1652 1654 1662 CONECT 1654 1653 1655 1661 CONECT 1655 1654 1656 1658 CONECT 1656 1651 1655 1657 CONECT 1657 1656 CONECT 1658 1655 1659 1660 CONECT 1659 1658 CONECT 1660 1658 CONECT 1661 1654 CONECT 1662 1653 CONECT 1663 1649 1652 1664 CONECT 1664 1663 CONECT 1665 1647 CONECT 1666 1647 CONECT 1667 1646 CONECT 1668 1644 CONECT 1669 1643 CONECT 1670 1642 CONECT 1671 1641 CONECT 1672 1640 MASTER 0 0 0 0 0 0 0 0 1671 1 52 13 END
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Related entries of code: 5etv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3qbc
RCSB PDB
PDBbind
161aa, >3QBC_1|Chains... *
4ad6
RCSB PDB
PDBbind
161aa, >4AD6_1|Chains... at 100%
4crj
RCSB PDB
PDBbind
161aa, >4CRJ_1|Chain... at 100%
4cwb
RCSB PDB
PDBbind
161aa, >4CWB_1|Chain... at 100%
5etq
RCSB PDB
PDBbind
161aa, >5ETQ_1|Chains... at 100%
5etr
RCSB PDB
PDBbind
161aa, >5ETR_1|Chains... at 100%
5ets
RCSB PDB
PDBbind
161aa, >5ETS_1|Chains... at 100%
5ett
RCSB PDB
PDBbind
161aa, >5ETT_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5etp
RCSB PDB
PDBbind
5RZ
Entry Information
PDB ID
5etv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (SaHPPK)
Ligand Name
5RZ
EC.Number
E.C.2.7.6.3
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
Kd=0.57uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula
C
1
3
H
1
1
BrN
5
O
2
S
Molecular Weight
381.228
Exact Mass
379.982
No. of atoms
33
No. of bonds
35
Polar Surface Area
144.07
LOGP Value
3.16 (
Computed with XLOGP3
)
1.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
Brc1ccc(cc1)C(=O)CSc1[nH]c2c(n1)[nH+]c([nH]c2=O)N
InChI String
InChI=1S/C13H10BrN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q2G0Q5
Entrez Gene ID
NCBI Entrez Gene ID:
3920407
ASD
Information of known allosteric effects of PDB entries
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