Browse entries in the PDBbind-CN Database
HEADER 4JE8_COMPLEX COMPND 4JE8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 192 ASP LEU PRO GLU ILE VAL ALA SER GLY ASP PRO VAL LEU SEQRES 2 A 192 HIS GLU LYS ALA ARG GLU VAL ASP PRO GLY GLU ILE GLY SEQRES 3 A 192 SER GLU ARG ILE GLN LYS ILE ILE ASP ASP MET ILE LYS SEQRES 4 A 192 VAL MET ARG LEU ALA PRO CYS VAL GLY LEU ALA ALA PRO SEQRES 5 A 192 GLN ILE GLY VAL PRO LEU ARG ILE ILE VAL LEU GLU ASP SEQRES 6 A 192 THR LYS GLU TYR ILE SER TYR ALA PRO LYS GLU GLU ILE SEQRES 7 A 192 LEU ALA GLN GLU ARG ARG HIS PHE ASP LEU MET VAL MET SEQRES 8 A 192 VAL ASN PRO VAL LEU LYS GLU ARG SER ASN LYS LYS ALA SEQRES 9 A 192 LEU PHE PHE GLU GLY CYS GLU SER VAL ASP GLY PHE ARG SEQRES 10 A 192 ALA ALA VAL GLU ARG TYR LEU GLU VAL VAL VAL THR GLY SEQRES 11 A 192 TYR ASP ARG GLN GLY LYS ARG ILE GLU VAL ASN ALA SER SEQRES 12 A 192 GLY TRP GLN ALA ARG ILE LEU GLN HIS GLU CYS ASP HIS SEQRES 13 A 192 LEU ASP GLY ASN LEU TYR VAL ASP LYS MET VAL PRO ARG SEQRES 14 A 192 THR PHE ARG THR VAL ASP ASN LEU ASP LEU PRO LEU ALA SEQRES 15 A 192 GLU GLY CYS PRO LYS LEU GLY SER HIS HIS HET ZN A 1 1 HET MET A 330 41 ATOM 1 N ASP A 2 23.972 -2.269 0.370 1.00 67.52 N ATOM 2 CA ASP A 2 24.385 -2.390 -1.036 1.00 66.05 C ATOM 3 C ASP A 2 23.297 -3.121 -1.761 1.00 60.56 C ATOM 4 O ASP A 2 22.729 -4.085 -1.225 1.00 59.05 O ATOM 5 CB ASP A 2 25.659 -3.174 -1.184 1.00 67.92 C ATOM 6 CG ASP A 2 26.489 -2.664 -2.328 1.00 71.28 C ATOM 7 OD1 ASP A 2 27.760 -2.568 -2.236 1.00 70.17 O ATOM 8 OD2 ASP A 2 25.802 -2.301 -3.309 1.00 73.15 O ATOM 9 HN3 ASP A 2 23.838 -3.218 0.774 1.00 0.00 H ATOM 10 HN2 ASP A 2 23.079 -1.739 0.423 1.00 0.00 H ATOM 11 HN1 ASP A 2 24.708 -1.764 0.904 1.00 0.00 H ATOM 12 N LEU A 3 22.982 -2.634 -2.959 1.00 57.18 N ATOM 13 CA LEU A 3 21.836 -3.111 -3.687 1.00 50.27 C ATOM 14 C LEU A 3 22.295 -4.131 -4.688 1.00 46.49 C ATOM 15 O LEU A 3 23.159 -3.855 -5.505 1.00 47.72 O ATOM 16 CB LEU A 3 21.158 -1.942 -4.409 1.00 50.62 C ATOM 17 CG LEU A 3 19.680 -2.069 -4.764 1.00 47.28 C ATOM 18 CD1 LEU A 3 18.743 -2.246 -3.565 1.00 42.21 C ATOM 19 CD2 LEU A 3 19.346 -0.804 -5.559 1.00 48.99 C ATOM 20 H LEU A 3 23.578 -1.892 -3.378 1.00 0.00 H ATOM 21 N PRO A 4 21.656 -5.315 -4.672 1.00 43.06 N ATOM 22 CA PRO A 4 22.020 -6.401 -5.590 1.00 40.46 C ATOM 23 C PRO A 4 21.766 -6.043 -7.065 1.00 38.57 C ATOM 24 O PRO A 4 20.951 -5.149 -7.368 1.00 40.14 O ATOM 25 CB PRO A 4 21.079 -7.530 -5.137 1.00 35.96 C ATOM 26 CG PRO A 4 19.902 -6.769 -4.664 1.00 36.83 C ATOM 27 CD PRO A 4 20.509 -5.710 -3.832 1.00 39.62 C ATOM 28 N GLU A 5 22.458 -6.717 -7.967 1.00 36.84 N ATOM 29 CA GLU A 5 22.347 -6.492 -9.359 1.00 35.27 C ATOM 30 C GLU A 5 21.357 -7.566 -9.772 1.00 31.47 C ATOM 31 O GLU A 5 21.179 -8.562 -9.093 1.00 31.45 O ATOM 32 CB GLU A 5 23.711 -6.750 -9.958 1.00 39.31 C ATOM 33 CG GLU A 5 24.370 -5.714 -10.927 1.00 47.77 C ATOM 34 CD GLU A 5 23.940 -4.243 -10.718 1.00 53.35 C ATOM 35 OE1 GLU A 5 23.319 -3.680 -11.659 1.00 51.82 O ATOM 36 OE2 GLU A 5 24.190 -3.667 -9.633 1.00 57.29 O ATOM 37 H GLU A 5 23.118 -7.450 -7.637 1.00 0.00 H ATOM 38 N ILE A 6 20.590 -7.268 -10.807 1.00 29.55 N ATOM 39 CA ILE A 6 19.906 -8.168 -11.626 1.00 24.16 C ATOM 40 C ILE A 6 20.919 -9.123 -12.279 1.00 23.80 C ATOM 41 O ILE A 6 21.958 -8.699 -12.729 1.00 23.47 O ATOM 42 CB ILE A 6 19.135 -7.349 -12.682 1.00 24.12 C ATOM 43 CG1 ILE A 6 18.076 -6.552 -11.949 1.00 25.49 C ATOM 44 CG2 ILE A 6 18.423 -8.265 -13.675 1.00 21.20 C ATOM 45 CD1 ILE A 6 16.724 -6.657 -12.571 1.00 28.59 C ATOM 46 H ILE A 6 20.485 -6.259 -11.034 1.00 0.00 H ATOM 47 N VAL A 7 20.555 -10.418 -12.270 1.00 21.68 N ATOM 48 CA VAL A 7 21.354 -11.534 -12.722 1.00 22.30 C ATOM 49 C VAL A 7 20.951 -11.814 -14.156 1.00 19.43 C ATOM 50 O VAL A 7 19.788 -11.869 -14.418 1.00 17.69 O ATOM 51 CB VAL A 7 21.010 -12.869 -11.795 1.00 23.40 C ATOM 52 CG1 VAL A 7 21.603 -14.074 -12.456 1.00 25.57 C ATOM 53 CG2 VAL A 7 21.659 -12.758 -10.406 1.00 21.60 C ATOM 54 H VAL A 7 19.607 -10.637 -11.902 1.00 0.00 H ATOM 55 N ALA A 8 21.878 -12.055 -15.064 1.00 20.51 N ATOM 56 CA ALA A 8 21.530 -12.305 -16.458 1.00 21.43 C ATOM 57 C ALA A 8 21.409 -13.810 -16.818 1.00 22.65 C ATOM 58 O ALA A 8 21.979 -14.727 -16.149 1.00 24.22 O ATOM 59 CB ALA A 8 22.509 -11.583 -17.461 1.00 23.47 C ATOM 60 H ALA A 8 22.878 -12.067 -14.779 1.00 0.00 H ATOM 61 N SER A 9 20.638 -14.050 -17.877 1.00 20.93 N ATOM 62 CA SER A 9 20.530 -15.369 -18.430 1.00 20.39 C ATOM 63 C SER A 9 21.895 -16.076 -18.489 1.00 20.76 C ATOM 64 O SER A 9 22.783 -15.500 -18.961 1.00 20.00 O ATOM 65 CB SER A 9 20.034 -15.246 -19.850 1.00 18.74 C ATOM 66 OG SER A 9 19.083 -16.229 -20.044 1.00 22.74 O ATOM 67 HG SER A 9 18.737 -16.174 -20.970 1.00 0.00 H ATOM 68 H SER A 9 20.106 -13.268 -18.310 1.00 0.00 H ATOM 69 N GLY A 10 21.965 -17.350 -18.072 1.00 20.59 N ATOM 70 CA GLY A 10 23.125 -18.163 -18.172 1.00 21.89 C ATOM 71 C GLY A 10 23.538 -18.422 -16.708 1.00 21.88 C ATOM 72 O GLY A 10 24.224 -19.381 -16.447 1.00 23.54 O ATOM 73 H GLY A 10 21.113 -17.769 -17.648 1.00 0.00 H ATOM 74 N ASP A 11 23.110 -17.565 -15.774 1.00 20.93 N ATOM 75 CA ASP A 11 23.465 -17.753 -14.338 1.00 24.94 C ATOM 76 C ASP A 11 22.597 -18.877 -13.781 1.00 24.43 C ATOM 77 O ASP A 11 21.395 -18.767 -13.883 1.00 24.37 O ATOM 78 CB ASP A 11 23.319 -16.475 -13.479 1.00 23.14 C ATOM 79 CG ASP A 11 23.849 -16.673 -12.053 1.00 26.54 C ATOM 80 OD1 ASP A 11 23.513 -17.697 -11.418 1.00 34.55 O ATOM 81 OD2 ASP A 11 24.645 -15.854 -11.531 1.00 30.95 O ATOM 82 H ASP A 11 22.521 -16.755 -16.054 1.00 0.00 H ATOM 83 N PRO A 12 23.204 -19.999 -13.267 1.00 28.85 N ATOM 84 CA PRO A 12 22.305 -21.149 -13.008 1.00 28.23 C ATOM 85 C PRO A 12 21.215 -20.857 -12.005 1.00 26.03 C ATOM 86 O PRO A 12 20.186 -21.510 -12.076 1.00 26.81 O ATOM 87 CB PRO A 12 23.281 -22.302 -12.595 1.00 34.44 C ATOM 88 CG PRO A 12 24.641 -21.804 -12.685 1.00 29.78 C ATOM 89 CD PRO A 12 24.621 -20.326 -12.928 1.00 30.68 C ATOM 90 N VAL A 13 21.346 -19.826 -11.154 1.00 25.40 N ATOM 91 CA VAL A 13 20.263 -19.524 -10.168 1.00 23.95 C ATOM 92 C VAL A 13 18.940 -19.215 -10.920 1.00 22.33 C ATOM 93 O VAL A 13 17.871 -19.302 -10.324 1.00 21.82 O ATOM 94 CB VAL A 13 20.593 -18.371 -9.111 1.00 22.78 C ATOM 95 CG1 VAL A 13 20.319 -17.034 -9.640 1.00 20.31 C ATOM 96 CG2 VAL A 13 19.753 -18.479 -7.842 1.00 21.43 C ATOM 97 H VAL A 13 22.202 -19.237 -11.181 1.00 0.00 H ATOM 98 N LEU A 14 19.003 -18.850 -12.215 1.00 20.18 N ATOM 99 CA LEU A 14 17.774 -18.447 -12.927 1.00 17.79 C ATOM 100 C LEU A 14 17.118 -19.604 -13.612 1.00 18.30 C ATOM 101 O LEU A 14 16.027 -19.461 -14.078 1.00 17.43 O ATOM 102 CB LEU A 14 18.048 -17.371 -13.984 1.00 17.77 C ATOM 103 CG LEU A 14 18.440 -15.928 -13.633 1.00 17.81 C ATOM 104 CD1 LEU A 14 18.843 -15.177 -14.906 1.00 12.33 C ATOM 105 CD2 LEU A 14 17.329 -15.218 -12.854 1.00 12.80 C ATOM 106 H LEU A 14 19.916 -18.852 -12.713 1.00 0.00 H ATOM 107 N HIS A 15 17.791 -20.756 -13.614 1.00 21.69 N ATOM 108 CA HIS A 15 17.427 -21.930 -14.404 1.00 22.64 C ATOM 109 C HIS A 15 17.218 -23.207 -13.593 1.00 25.54 C ATOM 110 O HIS A 15 17.166 -24.294 -14.156 1.00 27.32 O ATOM 111 CB HIS A 15 18.475 -22.176 -15.463 1.00 23.04 C ATOM 112 CG HIS A 15 18.715 -20.982 -16.340 1.00 22.97 C ATOM 113 ND1 HIS A 15 19.899 -20.250 -16.326 1.00 20.77 N ATOM 114 CD2 HIS A 15 17.913 -20.385 -17.246 1.00 21.57 C ATOM 115 CE1 HIS A 15 19.833 -19.297 -17.232 1.00 21.18 C ATOM 116 NE2 HIS A 15 18.631 -19.343 -17.798 1.00 22.39 N ATOM 117 H HIS A 15 18.635 -20.823 -13.010 1.00 0.00 H ATOM 118 N GLU A 16 17.083 -23.033 -12.270 1.00 25.43 N ATOM 119 CA GLU A 16 16.906 -24.106 -11.321 1.00 29.75 C ATOM 120 C GLU A 16 15.829 -23.697 -10.336 1.00 28.22 C ATOM 121 O GLU A 16 15.503 -22.538 -10.229 1.00 24.17 O ATOM 122 CB GLU A 16 18.238 -24.437 -10.604 1.00 32.19 C ATOM 123 CG GLU A 16 19.315 -24.996 -11.585 1.00 35.08 C ATOM 124 CD GLU A 16 20.604 -25.308 -10.913 1.00 39.47 C ATOM 125 OE1 GLU A 16 21.468 -25.913 -11.609 1.00 43.17 O ATOM 126 OE2 GLU A 16 20.718 -24.965 -9.684 1.00 42.69 O ATOM 127 H GLU A 16 17.107 -22.060 -11.903 1.00 0.00 H ATOM 128 N LYS A 17 15.258 -24.666 -9.637 1.00 30.48 N ATOM 129 CA LYS A 17 14.008 -24.420 -8.991 1.00 30.58 C ATOM 130 C LYS A 17 14.359 -23.791 -7.684 1.00 30.88 C ATOM 131 O LYS A 17 15.208 -24.339 -6.941 1.00 34.25 O ATOM 132 CB LYS A 17 13.239 -25.756 -8.871 1.00 35.10 C ATOM 133 CG LYS A 17 12.057 -25.729 -7.927 1.00 36.77 C ATOM 134 CD LYS A 17 11.281 -27.033 -7.946 1.00 41.66 C ATOM 135 CE LYS A 17 9.958 -26.934 -7.067 1.00 44.29 C ATOM 136 NZ LYS A 17 8.640 -26.582 -7.820 1.00 40.00 N ATOM 137 HZ1 LYS A 17 8.743 -25.656 -8.281 1.00 0.00 H ATOM 138 HZ2 LYS A 17 8.448 -27.309 -8.538 1.00 0.00 H ATOM 139 HZ3 LYS A 17 7.853 -26.547 -7.141 1.00 0.00 H ATOM 140 H LYS A 17 15.715 -25.597 -9.559 1.00 0.00 H ATOM 141 N ALA A 18 13.800 -22.600 -7.395 1.00 29.12 N ATOM 142 CA ALA A 18 14.029 -21.958 -6.059 1.00 28.33 C ATOM 143 C ALA A 18 13.272 -22.670 -4.971 1.00 31.15 C ATOM 144 O ALA A 18 12.291 -23.333 -5.243 1.00 32.95 O ATOM 145 CB ALA A 18 13.673 -20.475 -6.090 1.00 24.99 C ATOM 146 H ALA A 18 13.206 -22.123 -8.103 1.00 0.00 H ATOM 147 N ARG A 19 13.718 -22.489 -3.730 1.00 33.66 N ATOM 148 CA ARG A 19 13.237 -23.201 -2.565 1.00 37.45 C ATOM 149 C ARG A 19 12.326 -22.319 -1.753 1.00 36.96 C ATOM 150 O ARG A 19 12.446 -21.096 -1.794 1.00 34.83 O ATOM 151 CB ARG A 19 14.402 -23.680 -1.679 1.00 41.53 C ATOM 152 CG ARG A 19 15.418 -24.506 -2.470 1.00 45.56 C ATOM 153 CD ARG A 19 15.852 -25.867 -1.807 1.00 59.34 C ATOM 154 NE ARG A 19 15.840 -26.861 -2.900 1.00 68.39 N ATOM 155 CZ ARG A 19 16.798 -27.034 -3.851 1.00 73.28 C ATOM 156 NH1 ARG A 19 17.979 -26.356 -3.875 1.00 70.54 N ATOM 157 NH2 ARG A 19 16.597 -27.954 -4.807 1.00 77.96 N ATOM 158 HE ARG A 19 15.015 -27.493 -2.947 1.00 0.00 H ATOM 159 HH12 ARG A 19 18.668 -26.538 -4.633 1.00 0.00 H ATOM 160 HH11 ARG A 19 18.192 -25.656 -3.136 1.00 0.00 H ATOM 161 HH22 ARG A 19 17.315 -28.104 -5.544 1.00 0.00 H ATOM 162 HH21 ARG A 19 15.723 -28.517 -4.811 1.00 0.00 H ATOM 163 H ARG A 19 14.468 -21.783 -3.587 1.00 0.00 H ATOM 164 N GLU A 20 11.406 -22.947 -1.011 1.00 39.16 N ATOM 165 CA GLU A 20 10.392 -22.232 -0.279 1.00 39.08 C ATOM 166 C GLU A 20 10.970 -21.513 0.916 1.00 39.30 C ATOM 167 O GLU A 20 11.876 -22.037 1.549 1.00 42.27 O ATOM 168 CB GLU A 20 9.380 -23.236 0.216 1.00 43.44 C ATOM 169 CG GLU A 20 8.265 -23.416 -0.782 1.00 47.91 C ATOM 170 CD GLU A 20 7.494 -24.732 -0.587 1.00 59.50 C ATOM 171 OE1 GLU A 20 7.032 -25.263 -1.616 1.00 67.11 O ATOM 172 OE2 GLU A 20 7.353 -25.236 0.544 1.00 59.69 O ATOM 173 H GLU A 20 11.424 -23.986 -0.961 1.00 0.00 H ATOM 174 N VAL A 21 10.479 -20.312 1.228 1.00 35.78 N ATOM 175 CA VAL A 21 10.713 -19.736 2.542 1.00 36.93 C ATOM 176 C VAL A 21 9.904 -20.533 3.588 1.00 41.46 C ATOM 177 O VAL A 21 8.703 -20.847 3.390 1.00 42.22 O ATOM 178 CB VAL A 21 10.387 -18.215 2.611 1.00 33.04 C ATOM 179 CG1 VAL A 21 10.800 -17.677 3.917 1.00 34.96 C ATOM 180 CG2 VAL A 21 11.156 -17.513 1.608 1.00 31.43 C ATOM 181 H VAL A 21 9.924 -19.783 0.525 1.00 0.00 H ATOM 182 N ASP A 22 10.579 -20.853 4.691 1.00 44.69 N ATOM 183 CA ASP A 22 9.961 -21.392 5.888 1.00 49.38 C ATOM 184 C ASP A 22 9.027 -20.260 6.335 1.00 47.65 C ATOM 185 O ASP A 22 9.472 -19.113 6.592 1.00 43.85 O ATOM 186 CB ASP A 22 11.050 -21.784 6.901 1.00 53.06 C ATOM 187 CG ASP A 22 10.498 -22.211 8.303 1.00 63.11 C ATOM 188 OD1 ASP A 22 11.288 -22.170 9.310 1.00 73.39 O ATOM 189 OD2 ASP A 22 9.317 -22.600 8.446 1.00 71.73 O ATOM 190 H ASP A 22 11.609 -20.708 4.694 1.00 0.00 H ATOM 191 N PRO A 23 7.711 -20.565 6.354 1.00 49.54 N ATOM 192 CA PRO A 23 6.724 -19.516 6.637 1.00 50.28 C ATOM 193 C PRO A 23 6.921 -18.857 8.022 1.00 53.07 C ATOM 194 O PRO A 23 6.473 -17.724 8.215 1.00 52.72 O ATOM 195 CB PRO A 23 5.353 -20.249 6.552 1.00 52.68 C ATOM 196 CG PRO A 23 5.580 -21.558 5.927 1.00 52.40 C ATOM 197 CD PRO A 23 7.072 -21.885 6.159 1.00 52.82 C ATOM 198 N GLY A 24 7.586 -19.537 8.970 1.00 56.43 N ATOM 199 CA GLY A 24 7.853 -18.923 10.270 1.00 59.59 C ATOM 200 C GLY A 24 8.920 -17.826 10.175 1.00 58.47 C ATOM 201 O GLY A 24 9.059 -16.978 11.093 1.00 60.32 O ATOM 202 H GLY A 24 7.913 -20.506 8.779 1.00 0.00 H ATOM 203 N GLU A 25 9.689 -17.850 9.074 1.00 54.93 N ATOM 204 CA GLU A 25 10.810 -16.937 8.864 1.00 53.27 C ATOM 205 C GLU A 25 10.395 -15.630 8.125 1.00 49.36 C ATOM 206 O GLU A 25 11.083 -14.618 8.234 1.00 49.82 O ATOM 207 CB GLU A 25 12.052 -17.649 8.203 1.00 51.82 C ATOM 208 CG GLU A 25 12.715 -18.812 9.034 1.00 57.38 C ATOM 209 CD GLU A 25 12.897 -18.461 10.538 1.00 68.55 C ATOM 210 OE1 GLU A 25 13.449 -17.340 10.824 1.00 70.17 O ATOM 211 OE2 GLU A 25 12.531 -19.304 11.456 1.00 70.34 O ATOM 212 H GLU A 25 9.476 -18.552 8.336 1.00 0.00 H ATOM 213 N ILE A 26 9.277 -15.649 7.420 1.00 46.94 N ATOM 214 CA ILE A 26 8.854 -14.515 6.559 1.00 43.34 C ATOM 215 C ILE A 26 9.043 -13.064 7.093 1.00 43.92 C ATOM 216 O ILE A 26 9.420 -12.168 6.348 1.00 40.67 O ATOM 217 CB ILE A 26 7.438 -14.781 5.985 1.00 43.08 C ATOM 218 CG1 ILE A 26 7.402 -16.187 5.326 1.00 43.10 C ATOM 219 CG2 ILE A 26 6.940 -13.635 5.051 1.00 37.23 C ATOM 220 CD1 ILE A 26 6.038 -16.597 4.592 1.00 42.57 C ATOM 221 H ILE A 26 8.669 -16.492 7.470 1.00 0.00 H ATOM 222 N GLY A 27 8.805 -12.868 8.395 1.00 49.31 N ATOM 223 CA GLY A 27 8.920 -11.569 9.081 1.00 50.19 C ATOM 224 C GLY A 27 10.260 -11.265 9.703 1.00 51.35 C ATOM 225 O GLY A 27 10.413 -10.246 10.380 1.00 55.05 O ATOM 226 H GLY A 27 8.519 -13.691 8.963 1.00 0.00 H ATOM 227 N SER A 28 11.270 -12.095 9.472 1.00 50.52 N ATOM 228 CA SER A 28 12.649 -11.765 9.977 1.00 51.05 C ATOM 229 C SER A 28 13.241 -10.590 9.234 1.00 49.55 C ATOM 230 O SER A 28 12.859 -10.390 8.081 1.00 48.94 O ATOM 231 CB SER A 28 13.583 -12.958 9.791 1.00 50.24 C ATOM 232 OG SER A 28 13.630 -13.390 8.458 1.00 47.22 O ATOM 233 HG SER A 28 12.723 -13.660 8.168 1.00 0.00 H ATOM 234 H SER A 28 11.108 -12.975 8.941 1.00 0.00 H ATOM 235 N GLU A 29 14.156 -9.829 9.829 1.00 51.15 N ATOM 236 CA GLU A 29 14.828 -8.715 9.152 1.00 49.89 C ATOM 237 C GLU A 29 15.435 -9.173 7.863 1.00 46.51 C ATOM 238 O GLU A 29 15.529 -8.423 6.896 1.00 45.56 O ATOM 239 CB GLU A 29 15.937 -8.107 10.026 1.00 54.01 C ATOM 240 H GLU A 29 14.406 -10.033 10.818 1.00 0.00 H ATOM 241 N ARG A 30 15.800 -10.442 7.835 1.00 45.80 N ATOM 242 CA ARG A 30 16.489 -11.083 6.684 1.00 42.20 C ATOM 243 C ARG A 30 15.654 -11.267 5.388 1.00 37.41 C ATOM 244 O ARG A 30 16.107 -10.965 4.289 1.00 35.18 O ATOM 245 CB ARG A 30 17.120 -12.446 7.146 1.00 43.17 C ATOM 246 CG ARG A 30 18.034 -13.034 6.105 1.00 41.69 C ATOM 247 CD ARG A 30 18.527 -14.402 6.478 1.00 41.81 C ATOM 248 NE ARG A 30 17.572 -15.454 6.130 1.00 43.34 N ATOM 249 CZ ARG A 30 17.479 -16.017 4.928 1.00 36.70 C ATOM 250 NH1 ARG A 30 18.256 -15.611 3.944 1.00 38.22 N ATOM 251 NH2 ARG A 30 16.597 -16.968 4.703 1.00 36.60 N ATOM 252 HE ARG A 30 16.922 -15.784 6.872 1.00 0.00 H ATOM 253 HH12 ARG A 30 18.181 -16.053 3.006 1.00 0.00 H ATOM 254 HH11 ARG A 30 18.944 -14.848 4.106 1.00 0.00 H ATOM 255 HH22 ARG A 30 16.530 -17.403 3.761 1.00 0.00 H ATOM 256 HH21 ARG A 30 15.967 -17.284 5.467 1.00 0.00 H ATOM 257 H ARG A 30 15.593 -11.028 8.669 1.00 0.00 H ATOM 258 N ILE A 31 14.489 -11.854 5.520 1.00 36.07 N ATOM 259 CA ILE A 31 13.593 -11.982 4.405 1.00 34.10 C ATOM 260 C ILE A 31 13.005 -10.574 4.083 1.00 34.99 C ATOM 261 O ILE A 31 12.751 -10.239 2.920 1.00 33.45 O ATOM 262 CB ILE A 31 12.475 -13.017 4.757 1.00 34.10 C ATOM 263 CG1 ILE A 31 13.038 -14.446 4.947 1.00 34.64 C ATOM 264 CG2 ILE A 31 11.321 -13.022 3.746 1.00 34.85 C ATOM 265 CD1 ILE A 31 13.692 -15.081 3.717 1.00 27.40 C ATOM 266 H ILE A 31 14.209 -12.233 6.447 1.00 0.00 H ATOM 267 N GLN A 32 12.803 -9.739 5.098 1.00 38.19 N ATOM 268 CA GLN A 32 12.291 -8.413 4.855 1.00 38.43 C ATOM 269 C GLN A 32 13.277 -7.598 3.967 1.00 38.72 C ATOM 270 O GLN A 32 12.859 -6.774 3.117 1.00 37.60 O ATOM 271 CB GLN A 32 11.996 -7.702 6.168 1.00 41.79 C ATOM 272 CG GLN A 32 10.670 -8.133 6.914 1.00 42.35 C ATOM 273 CD GLN A 32 9.423 -8.281 5.998 1.00 39.73 C ATOM 274 OE1 GLN A 32 8.946 -7.301 5.372 1.00 37.94 O ATOM 275 NE2 GLN A 32 8.925 -9.517 5.888 1.00 36.91 N ATOM 276 HE22 GLN A 32 9.351 -10.299 6.425 1.00 0.00 H ATOM 277 HE21 GLN A 32 8.111 -9.696 5.266 1.00 0.00 H ATOM 278 H GLN A 32 13.015 -10.043 6.070 1.00 0.00 H ATOM 279 N LYS A 33 14.567 -7.854 4.137 1.00 38.87 N ATOM 280 CA LYS A 33 15.623 -7.135 3.411 1.00 38.73 C ATOM 281 C LYS A 33 15.732 -7.592 1.980 1.00 35.64 C ATOM 282 O LYS A 33 15.843 -6.768 1.077 1.00 36.53 O ATOM 283 CB LYS A 33 16.947 -7.334 4.131 1.00 41.65 C ATOM 284 CG LYS A 33 18.055 -6.321 3.855 1.00 47.27 C ATOM 285 CD LYS A 33 18.922 -6.842 2.776 1.00 47.83 C ATOM 286 CE LYS A 33 20.243 -6.165 2.812 1.00 57.02 C ATOM 287 NZ LYS A 33 20.992 -6.616 1.575 1.00 57.87 N ATOM 288 HZ1 LYS A 33 21.103 -7.650 1.596 1.00 0.00 H ATOM 289 HZ2 LYS A 33 20.456 -6.341 0.727 1.00 0.00 H ATOM 290 HZ3 LYS A 33 21.929 -6.166 1.555 1.00 0.00 H ATOM 291 H LYS A 33 14.843 -8.595 4.813 1.00 0.00 H ATOM 292 N ILE A 34 15.727 -8.899 1.753 1.00 32.49 N ATOM 293 CA ILE A 34 15.574 -9.413 0.462 1.00 29.33 C ATOM 294 C ILE A 34 14.309 -8.866 -0.238 1.00 29.00 C ATOM 295 O ILE A 34 14.302 -8.564 -1.424 1.00 29.08 O ATOM 296 CB ILE A 34 15.437 -10.880 0.555 1.00 28.81 C ATOM 297 CG1 ILE A 34 16.749 -11.541 1.026 1.00 31.30 C ATOM 298 CG2 ILE A 34 14.868 -11.482 -0.796 1.00 23.90 C ATOM 299 CD1 ILE A 34 16.527 -13.057 1.299 1.00 29.60 C ATOM 300 H ILE A 34 15.839 -9.555 2.552 1.00 0.00 H ATOM 301 N ILE A 35 13.196 -8.802 0.451 1.00 30.55 N ATOM 302 CA ILE A 35 11.994 -8.241 -0.143 1.00 29.96 C ATOM 303 C ILE A 35 12.097 -6.727 -0.583 1.00 32.28 C ATOM 304 O ILE A 35 11.607 -6.339 -1.695 1.00 32.03 O ATOM 305 CB ILE A 35 10.807 -8.435 0.801 1.00 30.11 C ATOM 306 CG1 ILE A 35 10.387 -9.880 0.740 1.00 30.35 C ATOM 307 CG2 ILE A 35 9.734 -7.537 0.400 1.00 29.03 C ATOM 308 CD1 ILE A 35 9.237 -10.319 1.745 1.00 30.29 C ATOM 309 H ILE A 35 13.173 -9.155 1.429 1.00 0.00 H ATOM 310 N ASP A 36 12.652 -5.905 0.323 1.00 34.54 N ATOM 311 CA ASP A 36 12.866 -4.493 0.155 1.00 36.34 C ATOM 312 C ASP A 36 13.829 -4.263 -0.944 1.00 35.97 C ATOM 313 O ASP A 36 13.682 -3.253 -1.626 1.00 38.00 O ATOM 314 CB ASP A 36 13.439 -3.887 1.417 1.00 40.57 C ATOM 315 CG ASP A 36 12.387 -3.766 2.559 1.00 44.07 C ATOM 316 OD1 ASP A 36 11.178 -3.615 2.309 1.00 42.33 O ATOM 317 OD2 ASP A 36 12.784 -3.789 3.736 1.00 50.39 O ATOM 318 H ASP A 36 12.953 -6.327 1.225 1.00 0.00 H ATOM 319 N ASP A 37 14.779 -5.196 -1.144 1.00 33.84 N ATOM 320 CA ASP A 37 15.824 -5.118 -2.177 1.00 33.12 C ATOM 321 C ASP A 37 15.255 -5.321 -3.569 1.00 30.74 C ATOM 322 O ASP A 37 15.597 -4.592 -4.506 1.00 31.71 O ATOM 323 CB ASP A 37 16.864 -6.211 -1.965 1.00 33.15 C ATOM 324 CG ASP A 37 17.958 -5.828 -0.977 1.00 37.04 C ATOM 325 OD1 ASP A 37 17.975 -4.676 -0.497 1.00 34.24 O ATOM 326 OD2 ASP A 37 18.847 -6.704 -0.726 1.00 40.70 O ATOM 327 H ASP A 37 14.774 -6.031 -0.524 1.00 0.00 H ATOM 328 N MET A 38 14.423 -6.353 -3.703 1.00 28.56 N ATOM 329 CA MET A 38 13.477 -6.572 -4.826 1.00 25.05 C ATOM 330 C MET A 38 12.645 -5.431 -5.198 1.00 25.40 C ATOM 331 O MET A 38 12.553 -5.079 -6.388 1.00 25.62 O ATOM 332 CB MET A 38 12.538 -7.755 -4.559 1.00 23.16 C ATOM 333 CG MET A 38 13.307 -9.050 -4.662 1.00 19.89 C ATOM 334 SD MET A 38 12.380 -10.446 -4.263 1.00 22.35 S ATOM 335 CE MET A 38 11.300 -10.642 -5.809 1.00 14.59 C ATOM 336 H MET A 38 14.438 -7.072 -2.951 1.00 0.00 H ATOM 337 N ILE A 39 12.012 -4.852 -4.218 1.00 27.71 N ATOM 338 CA ILE A 39 11.126 -3.713 -4.500 1.00 29.95 C ATOM 339 C ILE A 39 12.005 -2.618 -5.103 1.00 32.03 C ATOM 340 O ILE A 39 11.637 -2.081 -6.171 1.00 33.85 O ATOM 341 CB ILE A 39 10.354 -3.240 -3.229 1.00 32.84 C ATOM 342 CG1 ILE A 39 9.312 -4.281 -2.835 1.00 28.42 C ATOM 343 CG2 ILE A 39 9.727 -1.891 -3.437 1.00 37.02 C ATOM 344 CD1 ILE A 39 8.713 -3.983 -1.526 1.00 32.00 C ATOM 345 H ILE A 39 12.132 -5.193 -3.243 1.00 0.00 H ATOM 346 N LYS A 40 13.185 -2.345 -4.521 1.00 33.08 N ATOM 347 CA LYS A 40 14.057 -1.212 -5.021 1.00 35.15 C ATOM 348 C LYS A 40 14.711 -1.432 -6.401 1.00 33.61 C ATOM 349 O LYS A 40 14.873 -0.493 -7.223 1.00 34.91 O ATOM 350 CB LYS A 40 15.140 -0.800 -4.032 1.00 38.09 C ATOM 351 CG LYS A 40 14.670 -0.592 -2.630 1.00 41.78 C ATOM 352 CD LYS A 40 15.812 -0.460 -1.651 1.00 45.79 C ATOM 353 CE LYS A 40 15.173 -0.361 -0.303 1.00 52.64 C ATOM 354 NZ LYS A 40 16.030 0.232 0.726 1.00 55.87 N ATOM 355 HZ1 LYS A 40 16.888 -0.346 0.836 1.00 0.00 H ATOM 356 HZ2 LYS A 40 16.294 1.197 0.442 1.00 0.00 H ATOM 357 HZ3 LYS A 40 15.514 0.264 1.629 1.00 0.00 H ATOM 358 H LYS A 40 13.504 -2.920 -3.715 1.00 0.00 H ATOM 359 N VAL A 41 15.128 -2.671 -6.631 1.00 30.39 N ATOM 360 CA VAL A 41 15.673 -3.071 -7.921 1.00 28.62 C ATOM 361 C VAL A 41 14.553 -2.950 -9.029 1.00 28.01 C ATOM 362 O VAL A 41 14.833 -2.549 -10.178 1.00 29.45 O ATOM 363 CB VAL A 41 16.408 -4.519 -7.788 1.00 25.86 C ATOM 364 CG1 VAL A 41 16.677 -5.131 -9.078 1.00 19.31 C ATOM 365 CG2 VAL A 41 17.673 -4.401 -7.013 1.00 24.94 C ATOM 366 H VAL A 41 15.064 -3.376 -5.869 1.00 0.00 H ATOM 367 N MET A 42 13.298 -3.279 -8.666 1.00 28.03 N ATOM 368 CA MET A 42 12.133 -3.197 -9.555 1.00 25.79 C ATOM 369 C MET A 42 11.831 -1.776 -9.864 1.00 28.78 C ATOM 370 O MET A 42 11.614 -1.424 -10.998 1.00 30.10 O ATOM 371 CB MET A 42 10.897 -3.822 -8.939 1.00 24.91 C ATOM 372 CG MET A 42 9.663 -3.697 -9.803 1.00 24.73 C ATOM 373 SD MET A 42 8.229 -4.552 -9.163 1.00 24.26 S ATOM 374 CE MET A 42 7.894 -3.661 -7.604 1.00 26.80 C ATOM 375 H MET A 42 13.145 -3.613 -7.693 1.00 0.00 H ATOM 376 N ARG A 43 11.791 -0.948 -8.862 1.00 31.82 N ATOM 377 CA ARG A 43 11.496 0.469 -9.109 1.00 36.19 C ATOM 378 C ARG A 43 12.616 1.246 -9.765 1.00 38.93 C ATOM 379 O ARG A 43 12.362 2.246 -10.399 1.00 43.74 O ATOM 380 CB ARG A 43 11.041 1.133 -7.847 1.00 38.38 C ATOM 381 CG ARG A 43 9.645 0.713 -7.572 1.00 37.69 C ATOM 382 CD ARG A 43 9.229 1.200 -6.208 1.00 41.06 C ATOM 383 NE ARG A 43 7.885 0.734 -5.881 1.00 40.15 N ATOM 384 CZ ARG A 43 7.340 0.869 -4.677 1.00 42.99 C ATOM 385 NH1 ARG A 43 6.131 0.395 -4.432 1.00 42.08 N ATOM 386 NH2 ARG A 43 8.015 1.485 -3.719 1.00 43.93 N ATOM 387 HE ARG A 43 7.326 0.273 -6.628 1.00 0.00 H ATOM 388 HH12 ARG A 43 5.711 0.505 -3.487 1.00 0.00 H ATOM 389 HH11 ARG A 43 5.599 -0.088 -5.184 1.00 0.00 H ATOM 390 HH22 ARG A 43 7.594 1.594 -2.774 1.00 0.00 H ATOM 391 HH21 ARG A 43 8.966 1.860 -3.911 1.00 0.00 H ATOM 392 H ARG A 43 11.966 -1.286 -7.894 1.00 0.00 H ATOM 393 N LEU A 44 13.833 0.763 -9.675 1.00 37.49 N ATOM 394 CA LEU A 44 14.977 1.353 -10.361 1.00 40.78 C ATOM 395 C LEU A 44 15.092 1.046 -11.871 1.00 38.39 C ATOM 396 O LEU A 44 15.571 1.830 -12.642 1.00 40.21 O ATOM 397 CB LEU A 44 16.204 0.776 -9.663 1.00 41.75 C ATOM 398 CG LEU A 44 17.590 1.238 -9.987 1.00 45.56 C ATOM 399 CD1 LEU A 44 17.881 2.486 -9.137 1.00 50.42 C ATOM 400 CD2 LEU A 44 18.349 0.008 -9.553 1.00 44.00 C ATOM 401 H LEU A 44 13.989 -0.080 -9.087 1.00 0.00 H ATOM 402 N ALA A 45 14.675 -0.143 -12.255 1.00 34.43 N ATOM 403 CA ALA A 45 14.807 -0.646 -13.616 1.00 33.16 C ATOM 404 C ALA A 45 14.248 0.217 -14.715 1.00 36.12 C ATOM 405 O ALA A 45 14.949 0.372 -15.685 1.00 38.37 O ATOM 406 CB ALA A 45 14.281 -2.138 -13.748 1.00 28.30 C ATOM 407 H ALA A 45 14.226 -0.758 -11.546 1.00 0.00 H ATOM 408 N PRO A 46 12.944 0.685 -14.661 1.00 37.81 N ATOM 409 CA PRO A 46 11.784 0.230 -13.913 1.00 35.02 C ATOM 410 C PRO A 46 11.121 -0.962 -14.597 1.00 31.72 C ATOM 411 O PRO A 46 11.310 -1.241 -15.843 1.00 31.77 O ATOM 412 CB PRO A 46 10.835 1.450 -13.918 1.00 39.50 C ATOM 413 CG PRO A 46 11.479 2.499 -14.689 1.00 42.99 C ATOM 414 CD PRO A 46 12.600 1.888 -15.458 1.00 40.65 C ATOM 415 N CYS A 47 10.354 -1.702 -13.805 1.00 28.08 N ATOM 416 CA CYS A 47 9.670 -2.835 -14.380 1.00 24.54 C ATOM 417 C CYS A 47 8.404 -3.121 -13.595 1.00 24.50 C ATOM 418 O CYS A 47 8.125 -2.480 -12.595 1.00 27.58 O ATOM 419 CB CYS A 47 10.614 -4.059 -14.560 1.00 19.35 C ATOM 420 SG CYS A 47 11.232 -4.834 -13.067 1.00 22.21 S ATOM 421 H CYS A 47 10.249 -1.471 -12.796 1.00 0.00 H ATOM 422 N VAL A 48 7.617 -4.072 -14.050 1.00 22.78 N ATOM 423 CA VAL A 48 6.401 -4.317 -13.387 1.00 23.33 C ATOM 424 C VAL A 48 6.407 -5.505 -12.430 1.00 22.53 C ATOM 425 O VAL A 48 5.396 -5.748 -11.777 1.00 25.62 O ATOM 426 CB VAL A 48 5.249 -4.440 -14.428 1.00 24.27 C ATOM 427 CG1 VAL A 48 5.137 -3.187 -15.135 1.00 22.88 C ATOM 428 CG2 VAL A 48 5.421 -5.682 -15.364 1.00 16.25 C ATOM 429 H VAL A 48 7.889 -4.632 -14.883 1.00 0.00 H ATOM 430 N GLY A 49 7.513 -6.256 -12.359 1.00 21.83 N ATOM 431 CA GLY A 49 7.572 -7.589 -11.692 1.00 18.80 C ATOM 432 C GLY A 49 9.027 -8.027 -11.579 1.00 16.77 C ATOM 433 O GLY A 49 9.821 -7.716 -12.432 1.00 16.06 O ATOM 434 H GLY A 49 8.383 -5.888 -12.795 1.00 0.00 H ATOM 435 N LEU A 50 9.373 -8.725 -10.489 1.00 17.28 N ATOM 436 CA LEU A 50 10.734 -9.255 -10.241 1.00 16.30 C ATOM 437 C LEU A 50 10.550 -10.557 -9.423 1.00 16.50 C ATOM 438 O LEU A 50 9.652 -10.593 -8.581 1.00 17.40 O ATOM 439 CB LEU A 50 11.550 -8.269 -9.420 1.00 16.65 C ATOM 440 CG LEU A 50 13.074 -8.338 -9.682 1.00 19.34 C ATOM 441 CD1 LEU A 50 13.545 -7.697 -11.064 1.00 19.06 C ATOM 442 CD2 LEU A 50 13.991 -7.860 -8.560 1.00 18.19 C ATOM 443 H LEU A 50 8.641 -8.906 -9.773 1.00 0.00 H ATOM 444 N ALA A 51 11.378 -11.581 -9.668 1.00 14.87 N ATOM 445 CA ALA A 51 11.442 -12.777 -8.809 1.00 15.23 C ATOM 446 C ALA A 51 12.847 -12.928 -8.100 1.00 17.60 C ATOM 447 O ALA A 51 13.944 -12.357 -8.590 1.00 16.60 O ATOM 448 CB ALA A 51 11.090 -13.972 -9.595 1.00 13.03 C ATOM 449 H ALA A 51 12.002 -11.530 -10.499 1.00 0.00 H ATOM 450 N ALA A 52 12.836 -13.609 -6.928 1.00 17.99 N ATOM 451 CA ALA A 52 14.069 -13.579 -6.057 1.00 19.31 C ATOM 452 C ALA A 52 15.258 -14.114 -6.834 1.00 19.60 C ATOM 453 O ALA A 52 16.222 -13.449 -6.859 1.00 21.71 O ATOM 454 CB ALA A 52 13.899 -14.286 -4.690 1.00 19.91 C ATOM 455 H ALA A 52 11.993 -14.143 -6.634 1.00 0.00 H ATOM 456 N PRO A 53 15.149 -15.253 -7.577 1.00 19.81 N ATOM 457 CA PRO A 53 16.291 -15.659 -8.404 1.00 18.75 C ATOM 458 C PRO A 53 16.989 -14.626 -9.274 1.00 17.30 C ATOM 459 O PRO A 53 18.173 -14.758 -9.437 1.00 18.20 O ATOM 460 CB PRO A 53 15.708 -16.788 -9.260 1.00 17.65 C ATOM 461 CG PRO A 53 14.769 -17.465 -8.265 1.00 21.58 C ATOM 462 CD PRO A 53 14.052 -16.256 -7.717 1.00 19.92 C ATOM 463 N GLN A 54 16.304 -13.593 -9.744 1.00 16.83 N ATOM 464 CA GLN A 54 16.881 -12.501 -10.559 1.00 16.36 C ATOM 465 C GLN A 54 17.736 -11.522 -9.788 1.00 18.25 C ATOM 466 O GLN A 54 18.433 -10.739 -10.411 1.00 21.14 O ATOM 467 CB GLN A 54 15.795 -11.666 -11.295 1.00 15.37 C ATOM 468 CG GLN A 54 14.805 -12.435 -12.145 1.00 13.41 C ATOM 469 CD GLN A 54 13.833 -11.461 -12.762 1.00 13.62 C ATOM 470 OE1 GLN A 54 12.836 -11.104 -12.173 1.00 18.79 O ATOM 471 NE2 GLN A 54 14.152 -10.982 -13.899 1.00 13.14 N ATOM 472 HE22 GLN A 54 15.015 -11.310 -14.378 1.00 0.00 H ATOM 473 HE21 GLN A 54 13.550 -10.263 -14.348 1.00 0.00 H ATOM 474 H GLN A 54 15.289 -13.547 -9.524 1.00 0.00 H ATOM 475 N ILE A 55 17.791 -11.609 -8.472 1.00 20.98 N ATOM 476 CA ILE A 55 18.780 -10.845 -7.643 1.00 23.97 C ATOM 477 C ILE A 55 19.704 -11.798 -6.933 1.00 26.83 C ATOM 478 O ILE A 55 20.430 -11.425 -5.953 1.00 30.07 O ATOM 479 CB ILE A 55 18.083 -9.913 -6.643 1.00 24.86 C ATOM 480 CG1 ILE A 55 17.190 -10.666 -5.651 1.00 22.43 C ATOM 481 CG2 ILE A 55 17.110 -9.085 -7.433 1.00 28.09 C ATOM 482 CD1 ILE A 55 16.927 -9.928 -4.342 1.00 23.11 C ATOM 483 H ILE A 55 17.117 -12.236 -7.988 1.00 0.00 H ATOM 484 N GLY A 56 19.718 -13.045 -7.434 1.00 26.30 N ATOM 485 CA GLY A 56 20.697 -14.053 -6.921 1.00 25.37 C ATOM 486 C GLY A 56 20.169 -14.770 -5.691 1.00 26.25 C ATOM 487 O GLY A 56 20.905 -15.510 -5.098 1.00 29.17 O ATOM 488 H GLY A 56 19.045 -13.310 -8.182 1.00 0.00 H ATOM 489 N VAL A 57 18.920 -14.555 -5.254 1.00 24.66 N ATOM 490 CA VAL A 57 18.440 -15.274 -4.026 1.00 25.61 C ATOM 491 C VAL A 57 17.611 -16.523 -4.361 1.00 24.97 C ATOM 492 O VAL A 57 16.583 -16.402 -4.993 1.00 23.71 O ATOM 493 CB VAL A 57 17.701 -14.319 -3.049 1.00 27.36 C ATOM 494 CG1 VAL A 57 16.951 -15.079 -1.962 1.00 25.03 C ATOM 495 CG2 VAL A 57 18.701 -13.324 -2.358 1.00 26.97 C ATOM 496 H VAL A 57 18.291 -13.898 -5.759 1.00 0.00 H ATOM 497 N PRO A 58 18.065 -17.732 -3.996 1.00 26.75 N ATOM 498 CA PRO A 58 17.350 -18.899 -4.552 1.00 26.93 C ATOM 499 C PRO A 58 16.002 -19.250 -3.796 1.00 28.27 C ATOM 500 O PRO A 58 15.868 -20.388 -3.361 1.00 31.05 O ATOM 501 CB PRO A 58 18.357 -20.027 -4.269 1.00 30.09 C ATOM 502 CG PRO A 58 18.968 -19.597 -2.973 1.00 31.78 C ATOM 503 CD PRO A 58 19.163 -18.149 -3.101 1.00 29.33 C ATOM 504 N LEU A 59 15.086 -18.277 -3.604 1.00 25.36 N ATOM 505 CA LEU A 59 13.904 -18.420 -2.759 1.00 26.19 C ATOM 506 C LEU A 59 12.597 -18.170 -3.509 1.00 24.75 C ATOM 507 O LEU A 59 12.590 -17.450 -4.453 1.00 22.78 O ATOM 508 CB LEU A 59 13.994 -17.464 -1.570 1.00 26.53 C ATOM 509 CG LEU A 59 15.005 -17.812 -0.497 1.00 28.68 C ATOM 510 CD1 LEU A 59 15.045 -16.631 0.356 1.00 27.47 C ATOM 511 CD2 LEU A 59 14.597 -19.107 0.337 1.00 28.55 C ATOM 512 H LEU A 59 15.232 -17.368 -4.089 1.00 0.00 H ATOM 513 N ARG A 60 11.508 -18.802 -3.072 1.00 26.20 N ATOM 514 CA ARG A 60 10.189 -18.572 -3.621 1.00 24.14 C ATOM 515 C ARG A 60 9.520 -17.274 -3.217 1.00 24.27 C ATOM 516 O ARG A 60 8.659 -17.266 -2.371 1.00 26.12 O ATOM 517 CB ARG A 60 9.310 -19.809 -3.427 1.00 25.43 C ATOM 518 CG ARG A 60 9.951 -20.944 -4.164 1.00 26.04 C ATOM 519 CD ARG A 60 9.237 -22.172 -4.138 1.00 26.37 C ATOM 520 NE ARG A 60 8.258 -22.256 -5.234 1.00 29.34 N ATOM 521 CZ ARG A 60 8.515 -22.770 -6.422 1.00 27.16 C ATOM 522 NH1 ARG A 60 9.753 -23.218 -6.730 1.00 27.23 N ATOM 523 NH2 ARG A 60 7.551 -22.798 -7.306 1.00 22.85 N ATOM 524 HE ARG A 60 7.302 -21.886 -5.061 1.00 0.00 H ATOM 525 HH12 ARG A 60 9.941 -23.621 -7.670 1.00 0.00 H ATOM 526 HH11 ARG A 60 10.517 -23.160 -6.027 1.00 0.00 H ATOM 527 HH22 ARG A 60 7.723 -23.197 -8.251 1.00 0.00 H ATOM 528 HH21 ARG A 60 6.612 -22.421 -7.064 1.00 0.00 H ATOM 529 H ARG A 60 11.611 -19.492 -2.301 1.00 0.00 H ATOM 530 N ILE A 61 9.939 -16.166 -3.848 1.00 22.91 N ATOM 531 CA ILE A 61 9.423 -14.791 -3.532 1.00 22.80 C ATOM 532 C ILE A 61 9.220 -14.003 -4.826 1.00 21.39 C ATOM 533 O ILE A 61 10.114 -13.989 -5.703 1.00 22.02 O ATOM 534 CB ILE A 61 10.368 -13.956 -2.637 1.00 22.77 C ATOM 535 CG1 ILE A 61 10.791 -14.729 -1.332 1.00 26.39 C ATOM 536 CG2 ILE A 61 9.687 -12.640 -2.262 1.00 24.26 C ATOM 537 CD1 ILE A 61 11.767 -13.916 -0.337 1.00 22.47 C ATOM 538 H ILE A 61 10.657 -16.264 -4.594 1.00 0.00 H ATOM 539 N ILE A 62 8.059 -13.376 -4.966 1.00 21.39 N ATOM 540 CA ILE A 62 7.856 -12.496 -6.118 1.00 19.66 C ATOM 541 C ILE A 62 7.317 -11.170 -5.697 1.00 20.62 C ATOM 542 O ILE A 62 6.635 -11.130 -4.776 1.00 24.01 O ATOM 543 CB ILE A 62 6.907 -13.081 -7.189 1.00 20.22 C ATOM 544 CG1 ILE A 62 5.439 -13.234 -6.645 1.00 19.89 C ATOM 545 CG2 ILE A 62 7.524 -14.331 -7.816 1.00 19.39 C ATOM 546 CD1 ILE A 62 4.395 -13.725 -7.718 1.00 19.29 C ATOM 547 H ILE A 62 7.302 -13.508 -4.265 1.00 0.00 H ATOM 548 N VAL A 63 7.625 -10.086 -6.405 1.00 20.17 N ATOM 549 CA VAL A 63 7.025 -8.784 -6.171 1.00 21.25 C ATOM 550 C VAL A 63 6.421 -8.258 -7.539 1.00 22.20 C ATOM 551 O VAL A 63 6.909 -8.637 -8.590 1.00 22.56 O ATOM 552 CB VAL A 63 8.000 -7.727 -5.477 1.00 21.20 C ATOM 553 CG1 VAL A 63 8.553 -8.279 -4.164 1.00 21.77 C ATOM 554 CG2 VAL A 63 9.154 -7.263 -6.381 1.00 21.28 C ATOM 555 H VAL A 63 8.331 -10.176 -7.164 1.00 0.00 H ATOM 556 N LEU A 64 5.401 -7.400 -7.525 1.00 22.77 N ATOM 557 CA LEU A 64 4.921 -6.840 -8.729 1.00 24.19 C ATOM 558 C LEU A 64 4.145 -5.526 -8.465 1.00 28.06 C ATOM 559 O LEU A 64 3.528 -5.296 -7.407 1.00 29.92 O ATOM 560 CB LEU A 64 4.034 -7.907 -9.458 1.00 26.57 C ATOM 561 CG LEU A 64 2.868 -8.753 -8.791 1.00 26.24 C ATOM 562 CD1 LEU A 64 1.960 -9.236 -9.878 1.00 25.19 C ATOM 563 CD2 LEU A 64 3.506 -9.946 -8.097 1.00 22.48 C ATOM 564 H LEU A 64 4.956 -7.141 -6.621 1.00 0.00 H ATOM 565 N GLU A 65 4.106 -4.676 -9.468 1.00 28.54 N ATOM 566 CA GLU A 65 3.476 -3.348 -9.331 1.00 31.47 C ATOM 567 C GLU A 65 3.338 -2.891 -10.751 1.00 31.17 C ATOM 568 O GLU A 65 4.263 -3.125 -11.529 1.00 28.26 O ATOM 569 CB GLU A 65 4.479 -2.447 -8.616 1.00 32.04 C ATOM 570 CG GLU A 65 4.027 -1.128 -8.251 1.00 35.14 C ATOM 571 CD GLU A 65 5.145 -0.277 -7.635 1.00 41.30 C ATOM 572 OE1 GLU A 65 6.413 -0.485 -7.856 1.00 35.13 O ATOM 573 OE2 GLU A 65 4.709 0.694 -6.955 1.00 49.17 O ATOM 574 H GLU A 65 4.529 -4.946 -10.379 1.00 0.00 H ATOM 575 N ASP A 66 2.213 -2.250 -11.097 1.00 34.22 N ATOM 576 CA ASP A 66 2.078 -1.559 -12.380 1.00 35.44 C ATOM 577 C ASP A 66 1.366 -0.244 -12.123 1.00 42.17 C ATOM 578 O ASP A 66 0.244 -0.214 -11.590 1.00 45.83 O ATOM 579 CB ASP A 66 1.307 -2.404 -13.338 1.00 34.49 C ATOM 580 CG ASP A 66 1.470 -1.996 -14.803 1.00 35.56 C ATOM 581 OD1 ASP A 66 2.174 -1.034 -15.156 1.00 37.18 O ATOM 582 OD2 ASP A 66 0.833 -2.680 -15.618 1.00 36.46 O ATOM 583 H ASP A 66 1.412 -2.243 -10.434 1.00 0.00 H ATOM 584 N THR A 67 2.000 0.861 -12.501 1.00 44.34 N ATOM 585 CA THR A 67 1.549 2.127 -11.991 1.00 49.82 C ATOM 586 C THR A 67 0.778 2.851 -13.055 1.00 54.66 C ATOM 587 O THR A 67 0.971 2.575 -14.225 1.00 54.06 O ATOM 588 CB THR A 67 2.746 2.963 -11.451 1.00 50.85 C ATOM 589 OG1 THR A 67 3.565 3.388 -12.545 1.00 49.69 O ATOM 590 CG2 THR A 67 3.601 2.098 -10.446 1.00 45.57 C ATOM 591 HG1 THR A 67 4.325 3.919 -12.199 1.00 0.00 H ATOM 592 H THR A 67 2.808 0.811 -13.154 1.00 0.00 H ATOM 593 N LYS A 68 -0.079 3.805 -12.675 1.00 61.98 N ATOM 594 CA LYS A 68 -0.722 4.631 -13.670 1.00 67.15 C ATOM 595 C LYS A 68 0.328 5.269 -14.555 1.00 67.37 C ATOM 596 O LYS A 68 0.194 5.237 -15.762 1.00 69.34 O ATOM 597 CB LYS A 68 -1.654 5.659 -13.064 1.00 74.55 C ATOM 598 CG LYS A 68 -2.572 5.092 -11.975 1.00 78.50 C ATOM 599 CD LYS A 68 -3.904 5.859 -11.920 1.00 90.78 C ATOM 600 CE LYS A 68 -4.762 5.342 -10.760 1.00 94.29 C ATOM 601 NZ LYS A 68 -4.572 6.164 -9.517 1.00102.53 N ATOM 602 HZ1 LYS A 68 -3.574 6.127 -9.228 1.00 0.00 H ATOM 603 HZ2 LYS A 68 -4.842 7.150 -9.710 1.00 0.00 H ATOM 604 HZ3 LYS A 68 -5.169 5.782 -8.756 1.00 0.00 H ATOM 605 H LYS A 68 -0.282 3.952 -11.666 1.00 0.00 H ATOM 606 N GLU A 69 1.396 5.795 -13.979 1.00 67.55 N ATOM 607 CA GLU A 69 2.463 6.453 -14.744 1.00 68.10 C ATOM 608 C GLU A 69 3.157 5.624 -15.862 1.00 63.42 C ATOM 609 O GLU A 69 3.414 6.159 -16.927 1.00 64.49 O ATOM 610 CB GLU A 69 3.473 7.010 -13.765 1.00 69.60 C ATOM 611 CG GLU A 69 4.763 7.510 -14.357 1.00 70.68 C ATOM 612 CD GLU A 69 5.639 8.104 -13.279 1.00 73.82 C ATOM 613 OE1 GLU A 69 5.282 9.196 -12.774 1.00 81.37 O ATOM 614 OE2 GLU A 69 6.664 7.480 -12.920 1.00 68.10 O ATOM 615 H GLU A 69 1.484 5.741 -12.944 1.00 0.00 H ATOM 616 N TYR A 70 3.467 4.335 -15.621 1.00 57.63 N ATOM 617 CA TYR A 70 4.125 3.483 -16.648 1.00 53.51 C ATOM 618 C TYR A 70 3.170 3.272 -17.791 1.00 53.12 C ATOM 619 O TYR A 70 3.588 3.107 -18.930 1.00 50.88 O ATOM 620 CB TYR A 70 4.414 2.026 -16.166 1.00 47.82 C ATOM 621 CG TYR A 70 5.260 1.792 -14.944 1.00 49.64 C ATOM 622 CD1 TYR A 70 6.149 2.772 -14.470 1.00 54.33 C ATOM 623 CD2 TYR A 70 5.227 0.532 -14.265 1.00 45.80 C ATOM 624 CE1 TYR A 70 6.947 2.535 -13.354 1.00 48.85 C ATOM 625 CE2 TYR A 70 6.031 0.305 -13.133 1.00 41.83 C ATOM 626 CZ TYR A 70 6.895 1.335 -12.701 1.00 46.56 C ATOM 627 OH TYR A 70 7.728 1.190 -11.574 1.00 47.81 O ATOM 628 HH TYR A 70 7.171 1.019 -10.773 1.00 0.00 H ATOM 629 H TYR A 70 3.240 3.925 -14.693 1.00 0.00 H ATOM 630 N ILE A 71 1.886 3.157 -17.416 1.00 55.79 N ATOM 631 CA ILE A 71 0.791 2.664 -18.260 1.00 56.09 C ATOM 632 C ILE A 71 0.407 3.753 -19.245 1.00 63.45 C ATOM 633 O ILE A 71 0.093 3.460 -20.377 1.00 64.63 O ATOM 634 CB ILE A 71 -0.472 2.289 -17.454 1.00 56.52 C ATOM 635 CG1 ILE A 71 -0.317 1.008 -16.697 1.00 47.90 C ATOM 636 CG2 ILE A 71 -1.692 2.151 -18.436 1.00 60.61 C ATOM 637 CD1 ILE A 71 -1.552 0.559 -15.864 1.00 51.46 C ATOM 638 H ILE A 71 1.647 3.441 -16.445 1.00 0.00 H ATOM 639 N SER A 72 0.435 5.000 -18.787 1.00 70.31 N ATOM 640 CA SER A 72 0.209 6.192 -19.613 1.00 78.53 C ATOM 641 C SER A 72 1.348 6.480 -20.618 1.00 79.15 C ATOM 642 O SER A 72 1.472 7.629 -21.121 1.00 86.46 O ATOM 643 CB SER A 72 0.027 7.408 -18.687 1.00 84.24 C ATOM 644 OG SER A 72 1.271 7.703 -18.041 1.00 81.52 O ATOM 645 HG SER A 72 1.558 6.920 -17.508 1.00 0.00 H ATOM 646 H SER A 72 0.630 5.141 -17.775 1.00 0.00 H ATOM 647 N TYR A 73 2.144 5.460 -20.915 1.00 73.44 N ATOM 648 CA TYR A 73 3.190 5.500 -21.965 1.00 74.80 C ATOM 649 C TYR A 73 2.819 4.609 -23.152 1.00 72.12 C ATOM 650 O TYR A 73 3.292 4.836 -24.287 1.00 74.65 O ATOM 651 CB TYR A 73 4.619 5.089 -21.440 1.00 71.80 C ATOM 652 CG TYR A 73 5.282 6.229 -20.697 1.00 78.61 C ATOM 653 CD1 TYR A 73 5.760 6.104 -19.350 1.00 77.70 C ATOM 654 CD2 TYR A 73 5.361 7.494 -21.329 1.00 87.49 C ATOM 655 CE1 TYR A 73 6.326 7.254 -18.680 1.00 82.62 C ATOM 656 CE2 TYR A 73 5.905 8.609 -20.701 1.00 90.90 C ATOM 657 CZ TYR A 73 6.389 8.494 -19.413 1.00 89.73 C ATOM 658 OH TYR A 73 6.875 9.684 -18.937 1.00 96.20 O ATOM 659 HH TYR A 73 7.211 9.557 -18.014 1.00 0.00 H ATOM 660 H TYR A 73 2.027 4.577 -20.377 1.00 0.00 H ATOM 661 N ALA A 74 2.016 3.571 -22.871 1.00 67.26 N ATOM 662 CA ALA A 74 1.626 2.601 -23.871 1.00 62.89 C ATOM 663 C ALA A 74 0.455 3.180 -24.708 1.00 66.95 C ATOM 664 O ALA A 74 -0.356 3.982 -24.197 1.00 68.95 O ATOM 665 CB ALA A 74 1.271 1.284 -23.201 1.00 58.69 C ATOM 666 H ALA A 74 1.661 3.460 -21.900 1.00 0.00 H ATOM 667 N PRO A 75 0.405 2.835 -26.009 1.00 66.88 N ATOM 668 CA PRO A 75 -0.754 3.223 -26.833 1.00 72.60 C ATOM 669 C PRO A 75 -2.055 2.825 -26.097 1.00 73.88 C ATOM 670 O PRO A 75 -2.111 1.687 -25.579 1.00 70.43 O ATOM 671 CB PRO A 75 -0.573 2.407 -28.104 1.00 70.32 C ATOM 672 CG PRO A 75 0.855 1.967 -28.093 1.00 66.61 C ATOM 673 CD PRO A 75 1.442 2.121 -26.766 1.00 62.72 C ATOM 674 N LYS A 76 -3.036 3.755 -26.024 1.00 79.59 N ATOM 675 CA LYS A 76 -4.269 3.654 -25.194 1.00 81.41 C ATOM 676 C LYS A 76 -5.181 2.446 -25.541 1.00 80.07 C ATOM 677 O LYS A 76 -6.046 1.980 -24.687 1.00 79.36 O ATOM 678 CB LYS A 76 -5.072 4.972 -25.274 1.00 88.90 C ATOM 679 H LYS A 76 -2.919 4.615 -26.597 1.00 0.00 H ATOM 680 N GLU A 77 -4.967 1.993 -26.795 1.00 78.24 N ATOM 681 CA GLU A 77 -5.677 0.939 -27.485 1.00 78.67 C ATOM 682 C GLU A 77 -5.066 -0.391 -27.222 1.00 70.48 C ATOM 683 O GLU A 77 -5.768 -1.366 -27.082 1.00 70.66 O ATOM 684 CB GLU A 77 -5.609 1.187 -28.996 1.00 81.37 C ATOM 685 CG GLU A 77 -6.952 1.768 -29.600 1.00 91.93 C ATOM 686 CD GLU A 77 -6.881 1.651 -31.118 1.00 96.37 C ATOM 687 OE1 GLU A 77 -6.067 0.773 -31.516 1.00101.30 O ATOM 688 OE2 GLU A 77 -7.564 2.391 -31.909 1.00107.37 O ATOM 689 H GLU A 77 -4.202 2.456 -27.327 1.00 0.00 H ATOM 690 N GLU A 78 -3.750 -0.446 -27.197 1.00 64.60 N ATOM 691 CA GLU A 78 -3.006 -1.598 -26.642 1.00 57.08 C ATOM 692 C GLU A 78 -3.236 -1.807 -25.145 1.00 53.81 C ATOM 693 O GLU A 78 -3.302 -2.967 -24.697 1.00 51.43 O ATOM 694 CB GLU A 78 -1.516 -1.455 -26.968 1.00 52.91 C ATOM 695 CG GLU A 78 -0.579 -2.098 -26.041 1.00 49.12 C ATOM 696 CD GLU A 78 0.907 -1.786 -26.315 1.00 48.42 C ATOM 697 OE1 GLU A 78 1.705 -1.786 -25.350 1.00 44.47 O ATOM 698 OE2 GLU A 78 1.271 -1.488 -27.485 1.00 57.36 O ATOM 699 H GLU A 78 -3.211 0.355 -27.584 1.00 0.00 H ATOM 700 N ILE A 79 -3.338 -0.735 -24.347 1.00 54.25 N ATOM 701 CA ILE A 79 -3.671 -0.888 -22.912 1.00 52.76 C ATOM 702 C ILE A 79 -5.026 -1.666 -22.836 1.00 55.51 C ATOM 703 O ILE A 79 -5.215 -2.555 -21.986 1.00 52.86 O ATOM 704 CB ILE A 79 -3.736 0.512 -22.236 1.00 56.14 C ATOM 705 CG1 ILE A 79 -2.371 1.093 -22.016 1.00 56.10 C ATOM 706 CG2 ILE A 79 -4.546 0.573 -20.933 1.00 59.32 C ATOM 707 CD1 ILE A 79 -1.279 0.140 -21.503 1.00 47.36 C ATOM 708 H ILE A 79 -3.182 0.215 -24.740 1.00 0.00 H ATOM 709 N LEU A 80 -5.953 -1.317 -23.759 1.00 60.28 N ATOM 710 CA LEU A 80 -7.281 -1.911 -23.871 1.00 64.01 C ATOM 711 C LEU A 80 -7.262 -3.384 -24.308 1.00 60.59 C ATOM 712 O LEU A 80 -7.977 -4.184 -23.725 1.00 63.85 O ATOM 713 CB LEU A 80 -8.159 -1.105 -24.812 1.00 70.15 C ATOM 714 CG LEU A 80 -9.227 -0.075 -24.499 1.00 78.04 C ATOM 715 CD1 LEU A 80 -9.918 0.101 -25.850 1.00 87.60 C ATOM 716 CD2 LEU A 80 -10.312 -0.456 -23.475 1.00 85.00 C ATOM 717 H LEU A 80 -5.700 -0.571 -24.438 1.00 0.00 H ATOM 718 N ALA A 81 -6.510 -3.746 -25.325 1.00 56.35 N ATOM 719 CA ALA A 81 -6.380 -5.163 -25.715 1.00 52.81 C ATOM 720 C ALA A 81 -5.757 -6.026 -24.614 1.00 48.75 C ATOM 721 O ALA A 81 -6.223 -7.119 -24.353 1.00 47.95 O ATOM 722 CB ALA A 81 -5.571 -5.328 -27.103 1.00 48.86 C ATOM 723 H ALA A 81 -5.997 -3.019 -25.864 1.00 0.00 H ATOM 724 N GLN A 82 -4.705 -5.521 -23.971 1.00 46.33 N ATOM 725 CA GLN A 82 -3.980 -6.301 -22.986 1.00 43.56 C ATOM 726 C GLN A 82 -4.669 -6.464 -21.656 1.00 44.69 C ATOM 727 O GLN A 82 -4.256 -7.360 -20.871 1.00 40.67 O ATOM 728 CB GLN A 82 -2.621 -5.690 -22.700 1.00 41.18 C ATOM 729 CG GLN A 82 -1.792 -5.632 -23.888 1.00 41.26 C ATOM 730 CD GLN A 82 -0.541 -4.881 -23.600 1.00 42.40 C ATOM 731 OE1 GLN A 82 -0.490 -4.051 -22.677 1.00 42.75 O ATOM 732 NE2 GLN A 82 0.485 -5.159 -24.374 1.00 38.82 N ATOM 733 HE22 GLN A 82 0.388 -5.863 -25.133 1.00 0.00 H ATOM 734 HE21 GLN A 82 1.394 -4.675 -24.227 1.00 0.00 H ATOM 735 H GLN A 82 -4.398 -4.549 -24.179 1.00 0.00 H ATOM 736 N GLU A 83 -5.664 -5.578 -21.437 1.00 49.55 N ATOM 737 CA GLU A 83 -6.419 -5.425 -20.200 1.00 52.33 C ATOM 738 C GLU A 83 -5.500 -5.098 -19.058 1.00 50.04 C ATOM 739 O GLU A 83 -5.447 -5.835 -18.017 1.00 49.80 O ATOM 740 CB GLU A 83 -7.268 -6.644 -19.930 1.00 53.51 C ATOM 741 CG GLU A 83 -8.612 -6.524 -20.624 1.00 61.94 C ATOM 742 CD GLU A 83 -9.331 -7.835 -20.638 1.00 69.27 C ATOM 743 OE1 GLU A 83 -8.677 -8.798 -21.110 1.00 67.65 O ATOM 744 OE2 GLU A 83 -10.545 -7.914 -20.170 1.00 79.34 O ATOM 745 H GLU A 83 -5.915 -4.946 -22.224 1.00 0.00 H ATOM 746 N ARG A 84 -4.716 -4.026 -19.295 1.00 49.49 N ATOM 747 CA ARG A 84 -3.539 -3.638 -18.454 1.00 45.26 C ATOM 748 C ARG A 84 -4.018 -2.552 -17.502 1.00 48.95 C ATOM 749 O ARG A 84 -4.341 -1.424 -17.920 1.00 52.44 O ATOM 750 CB ARG A 84 -2.365 -3.184 -19.340 1.00 42.14 C ATOM 751 CG ARG A 84 -1.190 -2.765 -18.565 1.00 39.41 C ATOM 752 CD ARG A 84 0.064 -2.486 -19.322 1.00 36.54 C ATOM 753 NE ARG A 84 1.065 -1.983 -18.370 1.00 37.33 N ATOM 754 CZ ARG A 84 2.312 -1.529 -18.659 1.00 37.65 C ATOM 755 NH1 ARG A 84 2.766 -1.498 -19.916 1.00 32.59 N ATOM 756 NH2 ARG A 84 3.101 -1.070 -17.670 1.00 35.19 N ATOM 757 HE ARG A 84 0.789 -1.974 -17.367 1.00 0.00 H ATOM 758 HH12 ARG A 84 3.724 -1.146 -20.114 1.00 0.00 H ATOM 759 HH11 ARG A 84 2.161 -1.826 -20.696 1.00 0.00 H ATOM 760 HH22 ARG A 84 4.057 -0.721 -17.887 1.00 0.00 H ATOM 761 HH21 ARG A 84 2.755 -1.064 -16.689 1.00 0.00 H ATOM 762 H ARG A 84 -4.944 -3.430 -20.116 1.00 0.00 H ATOM 763 N ARG A 85 -4.171 -2.914 -16.221 1.00 48.18 N ATOM 764 CA ARG A 85 -4.728 -1.949 -15.255 1.00 52.43 C ATOM 765 C ARG A 85 -3.746 -1.837 -14.078 1.00 50.74 C ATOM 766 O ARG A 85 -2.970 -2.799 -13.741 1.00 46.41 O ATOM 767 CB ARG A 85 -6.243 -2.197 -14.904 1.00 56.14 C ATOM 768 H ARG A 85 -3.899 -3.868 -15.910 1.00 0.00 H ATOM 769 N HIS A 86 -3.676 -0.651 -13.493 1.00 53.58 N ATOM 770 CA HIS A 86 -2.720 -0.458 -12.387 1.00 50.98 C ATOM 771 C HIS A 86 -3.118 -1.289 -11.156 1.00 50.52 C ATOM 772 O HIS A 86 -4.297 -1.651 -10.972 1.00 52.48 O ATOM 773 CB HIS A 86 -2.654 1.011 -12.036 1.00 55.53 C ATOM 774 CG HIS A 86 -3.851 1.508 -11.314 1.00 56.97 C ATOM 775 ND1 HIS A 86 -4.077 1.246 -9.982 1.00 58.62 N ATOM 776 CD2 HIS A 86 -4.888 2.259 -11.725 1.00 63.76 C ATOM 777 CE1 HIS A 86 -5.195 1.840 -9.597 1.00 65.36 C ATOM 778 NE2 HIS A 86 -5.717 2.450 -10.642 1.00 67.73 N ATOM 779 H HIS A 86 -4.285 0.131 -13.808 1.00 0.00 H ATOM 780 N PHE A 87 -2.138 -1.598 -10.314 1.00 46.20 N ATOM 781 CA PHE A 87 -2.423 -2.328 -9.093 1.00 46.31 C ATOM 782 C PHE A 87 -1.276 -2.032 -8.159 1.00 44.69 C ATOM 783 O PHE A 87 -0.141 -2.125 -8.559 1.00 41.70 O ATOM 784 CB PHE A 87 -2.605 -3.861 -9.333 1.00 41.98 C ATOM 785 CG PHE A 87 -1.450 -4.525 -10.062 1.00 40.97 C ATOM 786 CD1 PHE A 87 -1.404 -4.567 -11.477 1.00 40.08 C ATOM 787 CD2 PHE A 87 -0.384 -5.118 -9.343 1.00 33.10 C ATOM 788 CE1 PHE A 87 -0.331 -5.164 -12.123 1.00 28.97 C ATOM 789 CE2 PHE A 87 0.629 -5.703 -10.015 1.00 27.71 C ATOM 790 CZ PHE A 87 0.666 -5.718 -11.359 1.00 27.65 C ATOM 791 H PHE A 87 -1.161 -1.315 -10.531 1.00 0.00 H ATOM 792 N ASP A 88 -1.585 -1.661 -6.921 1.00 47.51 N ATOM 793 CA ASP A 88 -0.611 -1.546 -5.829 1.00 45.80 C ATOM 794 C ASP A 88 0.425 -2.654 -5.814 1.00 41.35 C ATOM 795 O ASP A 88 0.150 -3.789 -6.243 1.00 38.99 O ATOM 796 CB ASP A 88 -1.335 -1.531 -4.500 1.00 48.46 C ATOM 797 CG ASP A 88 -2.312 -0.333 -4.372 1.00 56.89 C ATOM 798 OD1 ASP A 88 -2.871 -0.135 -3.276 1.00 61.36 O ATOM 799 OD2 ASP A 88 -2.536 0.405 -5.366 1.00 60.47 O ATOM 800 H ASP A 88 -2.579 -1.438 -6.713 1.00 0.00 H ATOM 801 N LEU A 89 1.621 -2.282 -5.315 1.00 40.23 N ATOM 802 CA LEU A 89 2.687 -3.200 -4.920 1.00 35.38 C ATOM 803 C LEU A 89 2.092 -4.419 -4.230 1.00 36.25 C ATOM 804 O LEU A 89 1.342 -4.283 -3.220 1.00 38.13 O ATOM 805 CB LEU A 89 3.684 -2.529 -3.996 1.00 33.07 C ATOM 806 CG LEU A 89 4.862 -3.407 -3.549 1.00 29.66 C ATOM 807 CD1 LEU A 89 5.767 -3.940 -4.629 1.00 18.70 C ATOM 808 CD2 LEU A 89 5.697 -2.555 -2.569 1.00 29.94 C ATOM 809 H LEU A 89 1.798 -1.263 -5.203 1.00 0.00 H ATOM 810 N MET A 90 2.460 -5.578 -4.789 1.00 33.54 N ATOM 811 CA MET A 90 2.085 -6.912 -4.307 1.00 35.06 C ATOM 812 C MET A 90 3.364 -7.631 -4.043 1.00 31.48 C ATOM 813 O MET A 90 4.287 -7.585 -4.886 1.00 27.93 O ATOM 814 CB MET A 90 1.268 -7.609 -5.395 1.00 34.33 C ATOM 815 CG MET A 90 1.100 -9.111 -5.340 1.00 35.32 C ATOM 816 SD MET A 90 -0.437 -9.385 -6.328 1.00 42.58 S ATOM 817 CE MET A 90 -1.700 -8.409 -5.477 1.00 44.80 C ATOM 818 H MET A 90 3.062 -5.529 -5.636 1.00 0.00 H ATOM 819 N VAL A 91 3.480 -8.185 -2.818 1.00 32.51 N ATOM 820 CA VAL A 91 4.552 -9.156 -2.447 1.00 29.84 C ATOM 821 C VAL A 91 3.950 -10.562 -2.171 1.00 30.07 C ATOM 822 O VAL A 91 3.062 -10.675 -1.347 1.00 33.67 O ATOM 823 CB VAL A 91 5.387 -8.663 -1.240 1.00 30.03 C ATOM 824 CG1 VAL A 91 6.500 -9.604 -0.944 1.00 28.06 C ATOM 825 CG2 VAL A 91 5.992 -7.335 -1.514 1.00 29.89 C ATOM 826 H VAL A 91 2.784 -7.921 -2.092 1.00 0.00 H ATOM 827 N MET A 92 4.381 -11.616 -2.851 1.00 26.47 N ATOM 828 CA MET A 92 3.956 -12.958 -2.437 1.00 28.05 C ATOM 829 C MET A 92 5.125 -13.930 -2.180 1.00 26.48 C ATOM 830 O MET A 92 5.980 -14.149 -3.039 1.00 25.86 O ATOM 831 CB MET A 92 3.072 -13.590 -3.480 1.00 26.59 C ATOM 832 CG MET A 92 1.883 -12.732 -3.903 1.00 32.59 C ATOM 833 SD MET A 92 0.753 -13.729 -4.913 1.00 33.35 S ATOM 834 CE MET A 92 -0.202 -14.656 -3.638 1.00 34.57 C ATOM 835 H MET A 92 5.013 -11.493 -3.668 1.00 0.00 H ATOM 836 N VAL A 93 5.129 -14.517 -1.003 1.00 28.09 N ATOM 837 CA VAL A 93 6.034 -15.590 -0.634 1.00 28.22 C ATOM 838 C VAL A 93 5.388 -17.013 -0.870 1.00 30.69 C ATOM 839 O VAL A 93 4.190 -17.274 -0.583 1.00 33.52 O ATOM 840 CB VAL A 93 6.453 -15.479 0.869 1.00 30.64 C ATOM 841 CG1 VAL A 93 7.405 -16.569 1.192 1.00 28.21 C ATOM 842 CG2 VAL A 93 7.024 -14.071 1.210 1.00 25.89 C ATOM 843 H VAL A 93 4.442 -14.192 -0.293 1.00 0.00 H ATOM 844 N ASN A 94 6.202 -17.923 -1.388 1.00 28.81 N ATOM 845 CA ASN A 94 5.736 -19.218 -1.786 1.00 30.67 C ATOM 846 C ASN A 94 4.409 -19.145 -2.581 1.00 31.67 C ATOM 847 O ASN A 94 3.450 -19.756 -2.170 1.00 35.37 O ATOM 848 CB ASN A 94 5.564 -20.107 -0.550 1.00 32.24 C ATOM 849 CG ASN A 94 6.859 -20.260 0.238 1.00 33.01 C ATOM 850 OD1 ASN A 94 7.954 -20.263 -0.388 1.00 25.62 O ATOM 851 ND2 ASN A 94 6.763 -20.350 1.608 1.00 22.06 N ATOM 852 HD22 ASN A 94 5.829 -20.342 2.065 1.00 0.00 H ATOM 853 HD21 ASN A 94 7.624 -20.426 2.186 1.00 0.00 H ATOM 854 H ASN A 94 7.208 -17.690 -1.509 1.00 0.00 H ATOM 855 N PRO A 95 4.368 -18.409 -3.697 1.00 29.47 N ATOM 856 CA PRO A 95 3.141 -18.315 -4.527 1.00 30.54 C ATOM 857 C PRO A 95 2.785 -19.666 -5.197 1.00 32.21 C ATOM 858 O PRO A 95 3.648 -20.375 -5.702 1.00 31.84 O ATOM 859 CB PRO A 95 3.542 -17.288 -5.578 1.00 26.41 C ATOM 860 CG PRO A 95 5.052 -17.430 -5.655 1.00 25.45 C ATOM 861 CD PRO A 95 5.494 -17.638 -4.282 1.00 26.97 C ATOM 862 N VAL A 96 1.554 -20.099 -5.151 1.00 33.98 N ATOM 863 CA VAL A 96 1.279 -21.239 -5.980 1.00 35.46 C ATOM 864 C VAL A 96 0.224 -20.777 -7.040 1.00 36.63 C ATOM 865 O VAL A 96 -0.892 -20.482 -6.671 1.00 39.72 O ATOM 866 CB VAL A 96 0.772 -22.482 -5.164 1.00 39.44 C ATOM 867 CG1 VAL A 96 0.393 -23.593 -6.116 1.00 41.70 C ATOM 868 CG2 VAL A 96 1.779 -23.009 -4.111 1.00 36.82 C ATOM 869 H VAL A 96 0.826 -19.651 -4.558 1.00 0.00 H ATOM 870 N LEU A 97 0.573 -20.711 -8.336 1.00 34.20 N ATOM 871 CA LEU A 97 -0.356 -20.312 -9.416 1.00 34.54 C ATOM 872 C LEU A 97 -1.218 -21.399 -10.053 1.00 39.86 C ATOM 873 O LEU A 97 -0.796 -22.534 -10.251 1.00 41.36 O ATOM 874 CB LEU A 97 0.388 -19.606 -10.522 1.00 30.15 C ATOM 875 CG LEU A 97 -0.407 -18.736 -11.491 1.00 29.16 C ATOM 876 CD1 LEU A 97 0.293 -17.368 -11.689 1.00 20.60 C ATOM 877 CD2 LEU A 97 -0.748 -19.503 -12.800 1.00 27.05 C ATOM 878 H LEU A 97 1.551 -20.954 -8.594 1.00 0.00 H ATOM 879 N LYS A 98 -2.453 -21.023 -10.364 1.00 44.03 N ATOM 880 CA LYS A 98 -3.417 -21.912 -11.001 1.00 50.03 C ATOM 881 C LYS A 98 -4.302 -21.048 -11.895 1.00 50.34 C ATOM 882 O LYS A 98 -4.692 -19.958 -11.498 1.00 51.51 O ATOM 883 CB LYS A 98 -4.228 -22.628 -9.939 1.00 55.88 C ATOM 884 CG LYS A 98 -4.703 -24.038 -10.329 1.00 65.09 C ATOM 885 CD LYS A 98 -3.690 -24.868 -11.208 1.00 67.39 C ATOM 886 CE LYS A 98 -4.354 -26.260 -11.663 1.00 76.09 C ATOM 887 NZ LYS A 98 -3.921 -26.631 -13.104 1.00 76.39 N ATOM 888 HZ1 LYS A 98 -4.226 -25.883 -13.760 1.00 0.00 H ATOM 889 HZ2 LYS A 98 -2.886 -26.725 -13.140 1.00 0.00 H ATOM 890 HZ3 LYS A 98 -4.362 -27.533 -13.376 1.00 0.00 H ATOM 891 H LYS A 98 -2.746 -20.050 -10.143 1.00 0.00 H ATOM 892 N GLU A 99 -4.557 -21.481 -13.119 1.00 51.05 N ATOM 893 CA GLU A 99 -5.546 -20.819 -13.987 1.00 52.00 C ATOM 894 C GLU A 99 -6.979 -21.054 -13.574 1.00 58.46 C ATOM 895 O GLU A 99 -7.342 -22.131 -13.045 1.00 62.30 O ATOM 896 CB GLU A 99 -5.379 -21.305 -15.411 1.00 51.48 C ATOM 897 CG GLU A 99 -5.921 -22.707 -15.652 1.00 56.01 C ATOM 898 CD GLU A 99 -4.872 -23.783 -15.369 1.00 60.29 C ATOM 899 OE1 GLU A 99 -5.178 -24.981 -15.666 1.00 65.25 O ATOM 900 OE2 GLU A 99 -3.740 -23.413 -14.873 1.00 56.53 O ATOM 901 H GLU A 99 -4.045 -22.312 -13.478 1.00 0.00 H ATOM 902 N ARG A 100 -7.817 -20.062 -13.843 1.00 59.72 N ATOM 903 CA ARG A 100 -9.220 -20.173 -13.534 1.00 66.13 C ATOM 904 C ARG A 100 -10.112 -20.613 -14.732 1.00 70.41 C ATOM 905 O ARG A 100 -11.310 -20.760 -14.600 1.00 77.14 O ATOM 906 CB ARG A 100 -9.689 -18.856 -12.930 1.00 65.78 C ATOM 907 CG ARG A 100 -9.012 -18.607 -11.625 1.00 68.93 C ATOM 908 CD ARG A 100 -9.777 -17.583 -10.729 1.00 74.44 C ATOM 909 NE ARG A 100 -9.248 -16.224 -11.086 1.00 80.26 N ATOM 910 CZ ARG A 100 -9.862 -15.404 -11.963 1.00 76.06 C ATOM 911 NH1 ARG A 100 -11.008 -15.831 -12.491 1.00 72.77 N ATOM 912 NH2 ARG A 100 -9.319 -14.156 -12.277 1.00 73.17 N ATOM 913 HE ARG A 100 -8.368 -15.900 -10.636 1.00 0.00 H ATOM 914 HH12 ARG A 100 -11.520 -15.235 -13.173 1.00 0.00 H ATOM 915 HH11 ARG A 100 -11.390 -16.760 -12.222 1.00 0.00 H ATOM 916 HH22 ARG A 100 -9.803 -13.534 -12.955 1.00 0.00 H ATOM 917 HH21 ARG A 100 -8.430 -13.849 -11.833 1.00 0.00 H ATOM 918 H ARG A 100 -7.456 -19.192 -14.283 1.00 0.00 H ATOM 919 N SER A 101 -9.505 -20.829 -15.885 1.00 68.45 N ATOM 920 CA SER A 101 -10.178 -21.208 -17.131 1.00 71.27 C ATOM 921 C SER A 101 -9.015 -21.349 -18.155 1.00 66.82 C ATOM 922 O SER A 101 -7.848 -20.944 -17.912 1.00 58.88 O ATOM 923 CB SER A 101 -11.100 -20.082 -17.652 1.00 72.48 C ATOM 924 OG SER A 101 -10.265 -18.993 -18.128 1.00 62.53 O ATOM 925 HG SER A 101 -10.840 -18.261 -18.466 1.00 0.00 H ATOM 926 H SER A 101 -8.471 -20.722 -15.911 1.00 0.00 H ATOM 927 N ASN A 102 -9.416 -21.947 -19.284 1.00 71.77 N ATOM 928 CA ASN A 102 -8.592 -22.357 -20.388 1.00 70.91 C ATOM 929 C ASN A 102 -8.467 -21.228 -21.391 1.00 68.37 C ATOM 930 O ASN A 102 -8.026 -21.468 -22.503 1.00 69.18 O ATOM 931 CB ASN A 102 -9.147 -23.666 -21.038 1.00 77.06 C ATOM 932 CG ASN A 102 -10.649 -23.572 -21.533 1.00 87.56 C ATOM 933 OD1 ASN A 102 -11.331 -24.624 -21.686 1.00 98.96 O ATOM 934 ND2 ASN A 102 -11.154 -22.356 -21.815 1.00 90.60 N ATOM 935 HD22 ASN A 102 -10.570 -21.506 -21.680 1.00 0.00 H ATOM 936 HD21 ASN A 102 -12.128 -22.267 -22.168 1.00 0.00 H ATOM 937 H ASN A 102 -10.435 -22.135 -19.372 1.00 0.00 H ATOM 938 N LYS A 103 -8.876 -20.003 -21.027 1.00 68.04 N ATOM 939 CA LYS A 103 -8.652 -18.840 -21.912 1.00 65.42 C ATOM 940 C LYS A 103 -7.241 -18.274 -21.822 1.00 58.23 C ATOM 941 O LYS A 103 -6.723 -17.989 -20.711 1.00 57.18 O ATOM 942 CB LYS A 103 -9.645 -17.711 -21.690 1.00 67.45 C ATOM 943 CG LYS A 103 -11.107 -18.180 -21.554 1.00 74.92 C ATOM 944 CD LYS A 103 -12.045 -16.944 -21.906 1.00 81.88 C ATOM 945 CE LYS A 103 -12.133 -15.833 -20.707 1.00 89.87 C ATOM 946 NZ LYS A 103 -12.899 -16.038 -19.291 1.00 97.18 N ATOM 947 HZ1 LYS A 103 -13.907 -16.223 -19.467 1.00 0.00 H ATOM 948 HZ2 LYS A 103 -12.481 -16.845 -18.786 1.00 0.00 H ATOM 949 HZ3 LYS A 103 -12.798 -15.177 -18.716 1.00 0.00 H ATOM 950 H LYS A 103 -9.355 -19.870 -20.114 1.00 0.00 H ATOM 951 N LYS A 104 -6.683 -18.045 -23.006 1.00 54.18 N ATOM 952 CA LYS A 104 -5.335 -17.603 -23.211 1.00 48.44 C ATOM 953 C LYS A 104 -5.322 -16.270 -23.947 1.00 46.26 C ATOM 954 O LYS A 104 -6.284 -15.918 -24.607 1.00 48.83 O ATOM 955 CB LYS A 104 -4.540 -18.670 -24.003 1.00 47.68 C ATOM 956 CG LYS A 104 -4.690 -20.166 -23.464 1.00 50.33 C ATOM 957 CD LYS A 104 -3.561 -20.520 -22.454 1.00 48.45 C ATOM 958 CE LYS A 104 -2.930 -21.899 -22.808 1.00 52.13 C ATOM 959 NZ LYS A 104 -3.993 -23.006 -22.920 1.00 54.51 N ATOM 960 HZ1 LYS A 104 -4.492 -23.099 -22.012 1.00 0.00 H ATOM 961 HZ2 LYS A 104 -4.673 -22.758 -23.667 1.00 0.00 H ATOM 962 HZ3 LYS A 104 -3.530 -23.907 -23.157 1.00 0.00 H ATOM 963 H LYS A 104 -7.271 -18.199 -23.850 1.00 0.00 H ATOM 964 N ALA A 105 -4.249 -15.515 -23.750 1.00 41.64 N ATOM 965 CA ALA A 105 -3.960 -14.286 -24.545 1.00 40.83 C ATOM 966 C ALA A 105 -2.519 -14.302 -25.020 1.00 35.48 C ATOM 967 O ALA A 105 -1.705 -14.951 -24.440 1.00 34.04 O ATOM 968 CB ALA A 105 -4.237 -13.029 -23.739 1.00 40.78 C ATOM 969 H ALA A 105 -3.577 -15.793 -23.006 1.00 0.00 H ATOM 970 N LEU A 106 -2.233 -13.616 -26.111 1.00 36.54 N ATOM 971 CA LEU A 106 -0.903 -13.590 -26.760 1.00 31.91 C ATOM 972 C LEU A 106 -0.421 -12.128 -26.957 1.00 30.57 C ATOM 973 O LEU A 106 -1.059 -11.329 -27.655 1.00 34.90 O ATOM 974 CB LEU A 106 -0.930 -14.378 -28.090 1.00 32.97 C ATOM 975 CG LEU A 106 0.333 -14.307 -28.989 1.00 32.05 C ATOM 976 CD1 LEU A 106 1.401 -15.097 -28.288 1.00 28.13 C ATOM 977 CD2 LEU A 106 0.090 -14.906 -30.274 1.00 31.79 C ATOM 978 H LEU A 106 -2.994 -13.055 -26.544 1.00 0.00 H ATOM 979 N PHE A 107 0.679 -11.767 -26.326 1.00 27.26 N ATOM 980 CA PHE A 107 1.230 -10.435 -26.444 1.00 26.32 C ATOM 981 C PHE A 107 2.713 -10.543 -26.149 1.00 23.33 C ATOM 982 O PHE A 107 3.164 -11.607 -25.690 1.00 21.65 O ATOM 983 CB PHE A 107 0.583 -9.442 -25.454 1.00 27.26 C ATOM 984 CG PHE A 107 -0.861 -9.161 -25.687 1.00 32.40 C ATOM 985 CD1 PHE A 107 -1.848 -9.661 -24.767 1.00 34.73 C ATOM 986 CD2 PHE A 107 -1.269 -8.321 -26.739 1.00 35.60 C ATOM 987 CE1 PHE A 107 -3.275 -9.413 -24.940 1.00 33.56 C ATOM 988 CE2 PHE A 107 -2.650 -8.008 -26.913 1.00 38.79 C ATOM 989 CZ PHE A 107 -3.661 -8.576 -25.989 1.00 40.58 C ATOM 990 H PHE A 107 1.166 -12.462 -25.725 1.00 0.00 H ATOM 991 N PHE A 108 3.427 -9.423 -26.350 1.00 22.50 N ATOM 992 CA PHE A 108 4.856 -9.328 -26.180 1.00 21.58 C ATOM 993 C PHE A 108 5.216 -9.147 -24.715 1.00 21.55 C ATOM 994 O PHE A 108 4.585 -8.305 -24.017 1.00 23.17 O ATOM 995 CB PHE A 108 5.409 -8.177 -27.054 1.00 23.05 C ATOM 996 CG PHE A 108 5.645 -8.581 -28.540 1.00 23.60 C ATOM 997 CD1 PHE A 108 4.683 -8.444 -29.492 1.00 25.62 C ATOM 998 CD2 PHE A 108 6.835 -9.159 -28.927 1.00 24.23 C ATOM 999 CE1 PHE A 108 4.896 -8.821 -30.854 1.00 23.52 C ATOM 1000 CE2 PHE A 108 6.993 -9.593 -30.245 1.00 22.95 C ATOM 1001 CZ PHE A 108 5.967 -9.411 -31.200 1.00 21.56 C ATOM 1002 H PHE A 108 2.915 -8.568 -26.648 1.00 0.00 H ATOM 1003 N GLU A 109 6.189 -9.956 -24.243 1.00 19.39 N ATOM 1004 CA GLU A 109 6.885 -9.734 -22.936 1.00 19.10 C ATOM 1005 C GLU A 109 8.380 -9.611 -23.047 1.00 18.19 C ATOM 1006 O GLU A 109 8.972 -10.154 -23.950 1.00 17.61 O ATOM 1007 CB GLU A 109 6.763 -10.946 -21.989 1.00 17.69 C ATOM 1008 CG GLU A 109 5.452 -11.232 -21.478 1.00 17.46 C ATOM 1009 CD GLU A 109 5.372 -12.623 -20.902 1.00 16.27 C ATOM 1010 OE1 GLU A 109 4.229 -13.059 -20.770 1.00 20.35 O ATOM 1011 OE2 GLU A 109 6.421 -13.222 -20.489 1.00 18.77 O ATOM 1012 H GLU A 109 6.470 -10.776 -24.818 1.00 0.00 H ATOM 1013 N GLY A 110 8.991 -9.017 -22.017 1.00 18.50 N ATOM 1014 CA GLY A 110 10.428 -8.954 -21.881 1.00 17.27 C ATOM 1015 C GLY A 110 10.777 -9.276 -20.413 1.00 17.20 C ATOM 1016 O GLY A 110 9.871 -9.380 -19.545 1.00 16.87 O ATOM 1017 H GLY A 110 8.404 -8.579 -21.278 1.00 0.00 H ATOM 1018 N CYS A 111 12.074 -9.390 -20.138 1.00 14.10 N ATOM 1019 CA CYS A 111 12.520 -9.892 -18.915 1.00 13.48 C ATOM 1020 C CYS A 111 13.821 -9.196 -18.690 1.00 14.74 C ATOM 1021 O CYS A 111 14.583 -9.012 -19.638 1.00 17.44 O ATOM 1022 CB CYS A 111 12.800 -11.359 -19.034 1.00 12.76 C ATOM 1023 SG CYS A 111 13.343 -12.100 -17.468 1.00 13.89 S ATOM 1024 H CYS A 111 12.772 -9.098 -20.852 1.00 0.00 H ATOM 1025 N GLU A 112 14.057 -8.781 -17.447 1.00 14.42 N ATOM 1026 CA GLU A 112 15.222 -7.973 -17.062 1.00 16.79 C ATOM 1027 C GLU A 112 16.500 -8.762 -17.231 1.00 15.89 C ATOM 1028 O GLU A 112 17.572 -8.173 -17.333 1.00 19.10 O ATOM 1029 CB GLU A 112 15.128 -7.576 -15.569 1.00 17.94 C ATOM 1030 CG GLU A 112 13.923 -6.776 -15.284 1.00 17.79 C ATOM 1031 CD GLU A 112 12.670 -7.636 -15.199 1.00 19.82 C ATOM 1032 OE1 GLU A 112 11.583 -7.039 -15.342 1.00 25.72 O ATOM 1033 OE2 GLU A 112 12.708 -8.861 -14.866 1.00 19.02 O ATOM 1034 H GLU A 112 13.377 -9.044 -16.705 1.00 0.00 H ATOM 1035 N SER A 113 16.364 -10.093 -17.158 1.00 13.92 N ATOM 1036 CA SER A 113 17.437 -11.107 -17.375 1.00 14.84 C ATOM 1037 C SER A 113 17.833 -11.461 -18.805 1.00 15.24 C ATOM 1038 O SER A 113 18.763 -12.284 -19.023 1.00 19.39 O ATOM 1039 CB SER A 113 17.052 -12.406 -16.641 1.00 11.50 C ATOM 1040 OG SER A 113 17.027 -12.083 -15.279 1.00 15.56 O ATOM 1041 HG SER A 113 17.922 -11.765 -15.000 1.00 0.00 H ATOM 1042 H SER A 113 15.417 -10.455 -16.927 1.00 0.00 H ATOM 1043 N VAL A 114 17.055 -10.939 -19.756 1.00 15.70 N ATOM 1044 CA VAL A 114 17.246 -11.078 -21.197 1.00 14.83 C ATOM 1045 C VAL A 114 17.034 -9.649 -21.791 1.00 17.71 C ATOM 1046 O VAL A 114 15.979 -9.336 -22.423 1.00 15.95 O ATOM 1047 CB VAL A 114 16.187 -11.946 -21.826 1.00 11.86 C ATOM 1048 CG1 VAL A 114 16.399 -12.081 -23.340 1.00 8.43 C ATOM 1049 CG2 VAL A 114 16.059 -13.314 -21.083 1.00 12.58 C ATOM 1050 H VAL A 114 16.236 -10.381 -19.441 1.00 0.00 H ATOM 1051 N ASP A 115 18.079 -8.852 -21.607 1.00 18.06 N ATOM 1052 CA ASP A 115 18.097 -7.460 -21.819 1.00 21.29 C ATOM 1053 C ASP A 115 18.034 -7.105 -23.333 1.00 23.14 C ATOM 1054 O ASP A 115 18.836 -7.577 -24.079 1.00 25.10 O ATOM 1055 CB ASP A 115 19.408 -7.044 -21.152 1.00 23.88 C ATOM 1056 CG ASP A 115 19.694 -5.580 -21.281 1.00 31.94 C ATOM 1057 OD1 ASP A 115 20.888 -5.217 -21.458 1.00 40.64 O ATOM 1058 OD2 ASP A 115 18.715 -4.802 -21.312 1.00 35.37 O ATOM 1059 H ASP A 115 18.961 -9.294 -21.278 1.00 0.00 H ATOM 1060 N GLY A 116 17.030 -6.355 -23.791 1.00 24.51 N ATOM 1061 CA GLY A 116 17.055 -5.780 -25.159 1.00 25.18 C ATOM 1062 C GLY A 116 16.149 -6.504 -26.145 1.00 23.50 C ATOM 1063 O GLY A 116 16.100 -6.144 -27.325 1.00 24.82 O ATOM 1064 H GLY A 116 16.212 -6.169 -23.176 1.00 0.00 H ATOM 1065 N PHE A 117 15.413 -7.505 -25.652 1.00 19.09 N ATOM 1066 CA PHE A 117 14.659 -8.383 -26.500 1.00 17.90 C ATOM 1067 C PHE A 117 13.218 -8.524 -26.054 1.00 18.30 C ATOM 1068 O PHE A 117 12.869 -8.277 -24.878 1.00 17.03 O ATOM 1069 CB PHE A 117 15.354 -9.762 -26.642 1.00 15.33 C ATOM 1070 CG PHE A 117 16.593 -9.699 -27.520 1.00 18.26 C ATOM 1071 CD1 PHE A 117 16.489 -9.824 -28.951 1.00 16.51 C ATOM 1072 CD2 PHE A 117 17.836 -9.451 -26.940 1.00 15.17 C ATOM 1073 CE1 PHE A 117 17.642 -9.722 -29.802 1.00 22.01 C ATOM 1074 CE2 PHE A 117 19.023 -9.345 -27.780 1.00 25.58 C ATOM 1075 CZ PHE A 117 18.930 -9.484 -29.208 1.00 22.79 C ATOM 1076 H PHE A 117 15.386 -7.652 -24.623 1.00 0.00 H ATOM 1077 N ARG A 118 12.395 -8.949 -27.017 1.00 18.21 N ATOM 1078 CA ARG A 118 10.968 -9.211 -26.750 1.00 18.01 C ATOM 1079 C ARG A 118 10.593 -10.501 -27.485 1.00 17.73 C ATOM 1080 O ARG A 118 11.338 -10.979 -28.423 1.00 18.68 O ATOM 1081 CB ARG A 118 10.102 -8.008 -27.177 1.00 18.05 C ATOM 1082 CG ARG A 118 10.442 -6.635 -26.482 1.00 16.97 C ATOM 1083 CD ARG A 118 9.939 -6.631 -24.912 1.00 22.21 C ATOM 1084 NE ARG A 118 10.260 -5.381 -24.186 1.00 16.07 N ATOM 1085 CZ ARG A 118 11.406 -5.144 -23.548 1.00 23.17 C ATOM 1086 NH1 ARG A 118 11.595 -3.983 -22.972 1.00 26.63 N ATOM 1087 NH2 ARG A 118 12.392 -6.045 -23.457 1.00 20.82 N ATOM 1088 HE ARG A 118 9.538 -4.633 -24.173 1.00 0.00 H ATOM 1089 HH12 ARG A 118 12.486 -3.790 -22.472 1.00 0.00 H ATOM 1090 HH11 ARG A 118 10.854 -3.255 -23.015 1.00 0.00 H ATOM 1091 HH22 ARG A 118 13.267 -5.809 -22.947 1.00 0.00 H ATOM 1092 HH21 ARG A 118 12.283 -6.981 -23.896 1.00 0.00 H ATOM 1093 H ARG A 118 12.769 -9.098 -27.976 1.00 0.00 H ATOM 1094 N ALA A 119 9.517 -11.102 -27.016 1.00 14.96 N ATOM 1095 CA ALA A 119 8.810 -12.116 -27.788 1.00 17.27 C ATOM 1096 C ALA A 119 7.368 -12.222 -27.336 1.00 17.42 C ATOM 1097 O ALA A 119 7.039 -11.880 -26.201 1.00 19.24 O ATOM 1098 CB ALA A 119 9.463 -13.498 -27.760 1.00 14.60 C ATOM 1099 H ALA A 119 9.164 -10.846 -26.072 1.00 0.00 H ATOM 1100 N ALA A 120 6.546 -12.812 -28.204 1.00 18.17 N ATOM 1101 CA ALA A 120 5.135 -13.015 -27.972 1.00 19.22 C ATOM 1102 C ALA A 120 5.006 -14.317 -27.208 1.00 20.00 C ATOM 1103 O ALA A 120 5.546 -15.359 -27.593 1.00 20.25 O ATOM 1104 CB ALA A 120 4.434 -13.114 -29.304 1.00 19.16 C ATOM 1105 H ALA A 120 6.946 -13.147 -29.104 1.00 0.00 H ATOM 1106 N VAL A 121 4.276 -14.250 -26.100 1.00 21.08 N ATOM 1107 CA VAL A 121 4.105 -15.380 -25.224 1.00 21.47 C ATOM 1108 C VAL A 121 2.628 -15.472 -24.878 1.00 24.70 C ATOM 1109 O VAL A 121 1.991 -14.442 -24.645 1.00 25.50 O ATOM 1110 CB VAL A 121 4.984 -15.225 -23.944 1.00 17.58 C ATOM 1111 CG1 VAL A 121 4.852 -16.451 -23.072 1.00 17.04 C ATOM 1112 CG2 VAL A 121 6.445 -14.996 -24.343 1.00 16.29 C ATOM 1113 H VAL A 121 3.812 -13.351 -25.857 1.00 0.00 H ATOM 1114 N GLU A 122 2.117 -16.711 -24.860 1.00 26.21 N ATOM 1115 CA GLU A 122 0.754 -17.017 -24.662 1.00 30.80 C ATOM 1116 C GLU A 122 0.620 -17.319 -23.145 1.00 30.42 C ATOM 1117 O GLU A 122 1.429 -18.048 -22.510 1.00 29.39 O ATOM 1118 CB GLU A 122 0.381 -18.194 -25.586 1.00 33.53 C ATOM 1119 CG GLU A 122 -1.125 -18.524 -25.825 1.00 41.10 C ATOM 1120 CD GLU A 122 -1.360 -20.072 -26.034 1.00 46.68 C ATOM 1121 OE1 GLU A 122 -0.411 -20.850 -25.676 1.00 55.30 O ATOM 1122 OE2 GLU A 122 -2.476 -20.520 -26.510 1.00 56.89 O ATOM 1123 H GLU A 122 2.773 -17.505 -25.002 1.00 0.00 H ATOM 1124 N ARG A 123 -0.375 -16.673 -22.541 1.00 30.67 N ATOM 1125 CA ARG A 123 -0.559 -16.714 -21.100 1.00 29.88 C ATOM 1126 C ARG A 123 -2.026 -17.072 -20.916 1.00 33.97 C ATOM 1127 O ARG A 123 -2.888 -16.833 -21.819 1.00 37.56 O ATOM 1128 CB ARG A 123 -0.228 -15.371 -20.430 1.00 25.82 C ATOM 1129 CG ARG A 123 1.299 -14.968 -20.482 1.00 24.95 C ATOM 1130 CD ARG A 123 2.255 -15.951 -19.791 1.00 22.43 C ATOM 1131 NE ARG A 123 3.638 -15.500 -19.697 1.00 19.25 N ATOM 1132 CZ ARG A 123 4.611 -16.225 -19.120 1.00 21.32 C ATOM 1133 NH1 ARG A 123 5.848 -15.729 -19.072 1.00 15.57 N ATOM 1134 NH2 ARG A 123 4.341 -17.475 -18.628 1.00 18.27 N ATOM 1135 HE ARG A 123 3.884 -14.572 -20.096 1.00 0.00 H ATOM 1136 HH12 ARG A 123 6.612 -16.278 -18.629 1.00 0.00 H ATOM 1137 HH11 ARG A 123 6.049 -14.793 -19.478 1.00 0.00 H ATOM 1138 HH22 ARG A 123 5.097 -18.033 -18.182 1.00 0.00 H ATOM 1139 HH21 ARG A 123 3.380 -17.866 -18.700 1.00 0.00 H ATOM 1140 H ARG A 123 -1.042 -16.122 -23.118 1.00 0.00 H ATOM 1141 N TYR A 124 -2.299 -17.677 -19.784 1.00 34.46 N ATOM 1142 CA TYR A 124 -3.641 -17.687 -19.225 1.00 38.09 C ATOM 1143 C TYR A 124 -4.078 -16.256 -18.922 1.00 38.72 C ATOM 1144 O TYR A 124 -3.338 -15.453 -18.343 1.00 35.51 O ATOM 1145 CB TYR A 124 -3.677 -18.534 -17.993 1.00 38.55 C ATOM 1146 CG TYR A 124 -3.436 -19.968 -18.253 1.00 39.31 C ATOM 1147 CD1 TYR A 124 -4.395 -20.715 -18.870 1.00 45.87 C ATOM 1148 CD2 TYR A 124 -2.240 -20.596 -17.863 1.00 40.82 C ATOM 1149 CE1 TYR A 124 -4.234 -22.065 -19.104 1.00 51.35 C ATOM 1150 CE2 TYR A 124 -2.046 -21.986 -18.100 1.00 45.84 C ATOM 1151 CZ TYR A 124 -3.071 -22.684 -18.736 1.00 50.36 C ATOM 1152 OH TYR A 124 -2.983 -23.999 -19.059 1.00 55.00 O ATOM 1153 HH TYR A 124 -3.821 -24.286 -19.501 1.00 0.00 H ATOM 1154 H TYR A 124 -1.534 -18.163 -19.273 1.00 0.00 H ATOM 1155 N LEU A 125 -5.269 -15.944 -19.367 1.00 41.94 N ATOM 1156 CA LEU A 125 -5.896 -14.663 -19.103 1.00 45.14 C ATOM 1157 C LEU A 125 -6.375 -14.500 -17.638 1.00 46.15 C ATOM 1158 O LEU A 125 -6.354 -13.380 -17.076 1.00 45.48 O ATOM 1159 CB LEU A 125 -7.113 -14.602 -20.030 1.00 50.60 C ATOM 1160 CG LEU A 125 -7.880 -13.366 -20.426 1.00 55.02 C ATOM 1161 CD1 LEU A 125 -7.000 -12.392 -21.059 1.00 51.50 C ATOM 1162 CD2 LEU A 125 -8.946 -13.880 -21.413 1.00 65.42 C ATOM 1163 H LEU A 125 -5.788 -16.645 -19.934 1.00 0.00 H ATOM 1164 N GLU A 126 -6.856 -15.611 -17.051 1.00 48.86 N ATOM 1165 CA GLU A 126 -7.328 -15.673 -15.607 1.00 50.18 C ATOM 1166 C GLU A 126 -6.545 -16.614 -14.656 1.00 46.53 C ATOM 1167 O GLU A 126 -6.442 -17.840 -14.876 1.00 47.10 O ATOM 1168 CB GLU A 126 -8.840 -15.986 -15.574 1.00 56.76 C ATOM 1169 CG GLU A 126 -9.694 -14.817 -16.131 1.00 61.40 C ATOM 1170 CD GLU A 126 -10.968 -15.336 -16.694 1.00 71.63 C ATOM 1171 OE1 GLU A 126 -10.977 -16.399 -17.450 1.00 74.25 O ATOM 1172 OE2 GLU A 126 -11.991 -14.682 -16.319 1.00 81.19 O ATOM 1173 H GLU A 126 -6.908 -16.480 -17.620 1.00 0.00 H ATOM 1174 N VAL A 127 -5.958 -16.048 -13.612 1.00 43.82 N ATOM 1175 CA VAL A 127 -5.270 -16.916 -12.597 1.00 42.19 C ATOM 1176 C VAL A 127 -5.750 -16.805 -11.128 1.00 44.35 C ATOM 1177 O VAL A 127 -6.434 -15.871 -10.793 1.00 46.27 O ATOM 1178 CB VAL A 127 -3.763 -16.770 -12.663 1.00 38.18 C ATOM 1179 CG1 VAL A 127 -3.210 -17.093 -14.116 1.00 35.11 C ATOM 1180 CG2 VAL A 127 -3.345 -15.376 -12.140 1.00 35.44 C ATOM 1181 H VAL A 127 -5.973 -15.015 -13.496 1.00 0.00 H ATOM 1182 N VAL A 128 -5.453 -17.801 -10.293 1.00 44.43 N ATOM 1183 CA VAL A 128 -5.431 -17.628 -8.843 1.00 46.32 C ATOM 1184 C VAL A 128 -4.043 -17.999 -8.312 1.00 45.31 C ATOM 1185 O VAL A 128 -3.391 -18.968 -8.810 1.00 45.06 O ATOM 1186 CB VAL A 128 -6.625 -18.378 -8.064 1.00 52.18 C ATOM 1187 CG1 VAL A 128 -6.867 -19.871 -8.515 1.00 51.75 C ATOM 1188 CG2 VAL A 128 -6.401 -18.250 -6.655 1.00 51.71 C ATOM 1189 H VAL A 128 -5.229 -18.736 -10.689 1.00 0.00 H ATOM 1190 N VAL A 129 -3.542 -17.166 -7.387 1.00 44.21 N ATOM 1191 CA VAL A 129 -2.295 -17.416 -6.697 1.00 40.08 C ATOM 1192 C VAL A 129 -2.575 -17.350 -5.178 1.00 43.10 C ATOM 1193 O VAL A 129 -3.032 -16.354 -4.655 1.00 43.16 O ATOM 1194 CB VAL A 129 -1.179 -16.474 -7.191 1.00 37.09 C ATOM 1195 CG1 VAL A 129 0.167 -17.093 -6.947 1.00 29.56 C ATOM 1196 CG2 VAL A 129 -1.373 -16.148 -8.746 1.00 34.60 C ATOM 1197 H VAL A 129 -4.074 -16.302 -7.156 1.00 0.00 H ATOM 1198 N THR A 130 -2.378 -18.482 -4.506 1.00 45.06 N ATOM 1199 CA THR A 130 -2.407 -18.583 -3.052 1.00 45.96 C ATOM 1200 C THR A 130 -0.925 -18.402 -2.591 1.00 41.16 C ATOM 1201 O THR A 130 -0.008 -18.569 -3.375 1.00 38.25 O ATOM 1202 CB THR A 130 -3.125 -19.937 -2.588 1.00 50.92 C ATOM 1203 OG1 THR A 130 -2.249 -21.055 -2.769 1.00 53.84 O ATOM 1204 CG2 THR A 130 -4.302 -20.243 -3.443 1.00 51.34 C ATOM 1205 HG1 THR A 130 -1.430 -20.922 -2.228 1.00 0.00 H ATOM 1206 H THR A 130 -2.192 -19.348 -5.052 1.00 0.00 H ATOM 1207 N GLY A 131 -0.699 -18.031 -1.343 1.00 40.44 N ATOM 1208 CA GLY A 131 0.634 -17.777 -0.865 1.00 37.81 C ATOM 1209 C GLY A 131 0.620 -17.041 0.488 1.00 40.16 C ATOM 1210 O GLY A 131 -0.305 -17.197 1.304 1.00 41.83 O ATOM 1211 H GLY A 131 -1.502 -17.920 -0.692 1.00 0.00 H ATOM 1212 N TYR A 132 1.667 -16.242 0.712 1.00 37.57 N ATOM 1213 CA TYR A 132 1.838 -15.449 1.952 1.00 38.85 C ATOM 1214 C TYR A 132 2.173 -14.102 1.526 1.00 36.26 C ATOM 1215 O TYR A 132 2.937 -13.972 0.572 1.00 35.49 O ATOM 1216 CB TYR A 132 3.049 -15.930 2.789 1.00 37.41 C ATOM 1217 CG TYR A 132 2.805 -17.284 3.335 1.00 40.26 C ATOM 1218 CD1 TYR A 132 2.138 -17.423 4.526 1.00 39.91 C ATOM 1219 CD2 TYR A 132 3.134 -18.457 2.592 1.00 41.77 C ATOM 1220 CE1 TYR A 132 1.847 -18.607 5.037 1.00 47.71 C ATOM 1221 CE2 TYR A 132 2.815 -19.745 3.121 1.00 48.02 C ATOM 1222 CZ TYR A 132 2.177 -19.774 4.366 1.00 49.18 C ATOM 1223 OH TYR A 132 1.843 -20.965 5.006 1.00 60.67 O ATOM 1224 HH TYR A 132 1.402 -20.762 5.869 1.00 0.00 H ATOM 1225 H TYR A 132 2.400 -16.173 -0.022 1.00 0.00 H ATOM 1226 N ASP A 133 1.687 -13.104 2.226 1.00 38.97 N ATOM 1227 CA ASP A 133 2.111 -11.743 1.975 1.00 38.76 C ATOM 1228 C ASP A 133 3.355 -11.467 2.818 1.00 39.75 C ATOM 1229 O ASP A 133 3.930 -12.399 3.377 1.00 38.66 O ATOM 1230 CB ASP A 133 0.944 -10.781 2.246 1.00 43.45 C ATOM 1231 CG ASP A 133 0.550 -10.720 3.694 1.00 46.67 C ATOM 1232 OD1 ASP A 133 -0.559 -10.217 3.950 1.00 53.31 O ATOM 1233 OD2 ASP A 133 1.378 -11.104 4.558 1.00 49.74 O ATOM 1234 H ASP A 133 0.987 -13.294 2.972 1.00 0.00 H ATOM 1235 N ARG A 134 3.792 -10.215 2.877 1.00 40.81 N ATOM 1236 CA ARG A 134 5.110 -9.954 3.407 1.00 42.09 C ATOM 1237 C ARG A 134 5.159 -10.022 4.978 1.00 46.58 C ATOM 1238 O ARG A 134 6.236 -9.932 5.613 1.00 46.43 O ATOM 1239 CB ARG A 134 5.688 -8.668 2.789 1.00 40.94 C ATOM 1240 CG ARG A 134 5.106 -7.322 3.286 1.00 45.24 C ATOM 1241 CD ARG A 134 5.829 -6.118 2.617 1.00 44.60 C ATOM 1242 NE ARG A 134 7.157 -6.064 3.163 1.00 46.08 N ATOM 1243 CZ ARG A 134 8.149 -5.289 2.756 1.00 44.19 C ATOM 1244 NH1 ARG A 134 7.967 -4.406 1.776 1.00 41.17 N ATOM 1245 NH2 ARG A 134 9.314 -5.401 3.411 1.00 42.32 N ATOM 1246 HE ARG A 134 7.359 -6.700 3.961 1.00 0.00 H ATOM 1247 HH12 ARG A 134 8.756 -3.803 1.466 1.00 0.00 H ATOM 1248 HH11 ARG A 134 7.036 -4.319 1.320 1.00 0.00 H ATOM 1249 HH22 ARG A 134 10.126 -4.815 3.131 1.00 0.00 H ATOM 1250 HH21 ARG A 134 9.405 -6.074 4.199 1.00 0.00 H ATOM 1251 H ARG A 134 3.193 -9.432 2.546 1.00 0.00 H ATOM 1252 N GLN A 135 3.993 -10.262 5.598 1.00 49.94 N ATOM 1253 CA GLN A 135 3.973 -10.387 7.056 1.00 53.04 C ATOM 1254 C GLN A 135 3.710 -11.791 7.518 1.00 53.30 C ATOM 1255 O GLN A 135 3.368 -12.005 8.652 1.00 57.67 O ATOM 1256 CB GLN A 135 2.959 -9.423 7.643 1.00 57.47 C ATOM 1257 CG GLN A 135 3.424 -7.951 7.530 1.00 60.37 C ATOM 1258 CD GLN A 135 2.467 -7.156 6.677 1.00 68.88 C ATOM 1259 OE1 GLN A 135 2.868 -6.487 5.704 1.00 70.91 O ATOM 1260 NE2 GLN A 135 1.161 -7.257 6.999 1.00 73.26 N ATOM 1261 HE22 GLN A 135 0.870 -7.826 7.820 1.00 0.00 H ATOM 1262 HE21 GLN A 135 0.445 -6.766 6.427 1.00 0.00 H ATOM 1263 H GLN A 135 3.115 -10.358 5.049 1.00 0.00 H ATOM 1264 N GLY A 136 3.911 -12.753 6.638 1.00 49.78 N ATOM 1265 CA GLY A 136 3.634 -14.147 6.907 1.00 49.11 C ATOM 1266 C GLY A 136 2.138 -14.550 6.947 1.00 52.28 C ATOM 1267 O GLY A 136 1.855 -15.675 7.322 1.00 53.98 O ATOM 1268 H GLY A 136 4.288 -12.496 5.703 1.00 0.00 H ATOM 1269 N LYS A 137 1.207 -13.649 6.597 1.00 51.01 N ATOM 1270 CA LYS A 137 -0.239 -13.923 6.480 1.00 52.17 C ATOM 1271 C LYS A 137 -0.671 -14.684 5.169 1.00 49.19 C ATOM 1272 O LYS A 137 -0.144 -14.442 4.070 1.00 44.08 O ATOM 1273 CB LYS A 137 -0.940 -12.571 6.488 1.00 55.99 C ATOM 1274 CG LYS A 137 -2.404 -12.612 6.942 1.00 64.62 C ATOM 1275 CD LYS A 137 -3.430 -11.913 6.032 1.00 68.67 C ATOM 1276 CE LYS A 137 -4.828 -12.402 6.543 1.00 77.36 C ATOM 1277 NZ LYS A 137 -5.815 -11.281 6.998 1.00 87.42 N ATOM 1278 HZ1 LYS A 137 -5.390 -10.744 7.781 1.00 0.00 H ATOM 1279 HZ2 LYS A 137 -6.004 -10.642 6.199 1.00 0.00 H ATOM 1280 HZ3 LYS A 137 -6.706 -11.713 7.316 1.00 0.00 H ATOM 1281 H LYS A 137 1.529 -12.682 6.392 1.00 0.00 H ATOM 1282 N ARG A 138 -1.593 -15.630 5.282 1.00 50.44 N ATOM 1283 CA ARG A 138 -2.049 -16.450 4.169 1.00 49.12 C ATOM 1284 C ARG A 138 -3.065 -15.663 3.351 1.00 50.53 C ATOM 1285 O ARG A 138 -4.117 -15.218 3.871 1.00 53.79 O ATOM 1286 CB ARG A 138 -2.654 -17.784 4.565 1.00 50.72 C ATOM 1287 CG ARG A 138 -1.746 -18.854 5.056 1.00 50.42 C ATOM 1288 CD ARG A 138 -2.693 -19.895 5.800 1.00 54.74 C ATOM 1289 NE ARG A 138 -2.217 -20.169 7.184 1.00 54.85 N ATOM 1290 CZ ARG A 138 -1.707 -21.343 7.559 1.00 57.50 C ATOM 1291 NH1 ARG A 138 -1.633 -22.329 6.664 1.00 63.49 N ATOM 1292 NH2 ARG A 138 -1.253 -21.554 8.788 1.00 53.70 N ATOM 1293 HE ARG A 138 -2.285 -19.410 7.891 1.00 0.00 H ATOM 1294 HH12 ARG A 138 -1.238 -23.251 6.938 1.00 0.00 H ATOM 1295 HH11 ARG A 138 -1.970 -22.175 5.692 1.00 0.00 H ATOM 1296 HH22 ARG A 138 -0.862 -22.483 9.046 1.00 0.00 H ATOM 1297 HH21 ARG A 138 -1.288 -20.791 9.494 1.00 0.00 H ATOM 1298 H ARG A 138 -2.014 -15.796 6.218 1.00 0.00 H ATOM 1299 N ILE A 139 -2.742 -15.489 2.068 1.00 47.35 N ATOM 1300 CA ILE A 139 -3.578 -14.720 1.171 1.00 48.21 C ATOM 1301 C ILE A 139 -3.944 -15.600 -0.039 1.00 49.51 C ATOM 1302 O ILE A 139 -3.388 -16.687 -0.209 1.00 49.88 O ATOM 1303 CB ILE A 139 -2.864 -13.373 0.708 1.00 45.54 C ATOM 1304 CG1 ILE A 139 -1.519 -13.692 -0.037 1.00 39.21 C ATOM 1305 CG2 ILE A 139 -2.808 -12.336 1.878 1.00 45.22 C ATOM 1306 CD1 ILE A 139 -0.615 -12.560 -0.388 1.00 35.06 C ATOM 1307 H ILE A 139 -1.867 -15.917 1.703 1.00 0.00 H ATOM 1308 N GLU A 140 -4.913 -15.156 -0.833 1.00 52.57 N ATOM 1309 CA GLU A 140 -5.164 -15.670 -2.209 1.00 53.14 C ATOM 1310 C GLU A 140 -5.406 -14.446 -3.036 1.00 52.15 C ATOM 1311 O GLU A 140 -5.853 -13.432 -2.542 1.00 54.29 O ATOM 1312 CB GLU A 140 -6.421 -16.558 -2.342 1.00 57.28 C ATOM 1313 CG GLU A 140 -6.459 -17.735 -1.378 1.00 63.63 C ATOM 1314 CD GLU A 140 -7.343 -18.871 -1.832 1.00 67.96 C ATOM 1315 OE1 GLU A 140 -7.203 -19.951 -1.228 1.00 71.36 O ATOM 1316 OE2 GLU A 140 -8.178 -18.690 -2.766 1.00 74.58 O ATOM 1317 H GLU A 140 -5.534 -14.404 -0.472 1.00 0.00 H ATOM 1318 N VAL A 141 -5.123 -14.569 -4.310 1.00 51.14 N ATOM 1319 CA VAL A 141 -5.188 -13.458 -5.264 1.00 50.69 C ATOM 1320 C VAL A 141 -5.782 -14.031 -6.559 1.00 51.67 C ATOM 1321 O VAL A 141 -5.256 -15.005 -7.188 1.00 49.15 O ATOM 1322 CB VAL A 141 -3.752 -12.866 -5.591 1.00 44.92 C ATOM 1323 CG1 VAL A 141 -3.845 -11.706 -6.552 1.00 46.34 C ATOM 1324 CG2 VAL A 141 -3.045 -12.420 -4.363 1.00 44.37 C ATOM 1325 H VAL A 141 -4.837 -15.505 -4.663 1.00 0.00 H ATOM 1326 N ASN A 142 -6.868 -13.399 -6.968 1.00 54.76 N ATOM 1327 CA ASN A 142 -7.442 -13.678 -8.260 1.00 56.49 C ATOM 1328 C ASN A 142 -7.026 -12.505 -9.201 1.00 53.42 C ATOM 1329 O ASN A 142 -7.080 -11.350 -8.795 1.00 54.77 O ATOM 1330 CB ASN A 142 -8.968 -13.850 -8.121 1.00 63.94 C ATOM 1331 CG ASN A 142 -9.364 -15.111 -7.289 1.00 70.77 C ATOM 1332 OD1 ASN A 142 -9.817 -16.106 -7.855 1.00 79.14 O ATOM 1333 ND2 ASN A 142 -9.222 -15.043 -5.947 1.00 72.08 N ATOM 1334 HD22 ASN A 142 -8.835 -14.183 -5.508 1.00 0.00 H ATOM 1335 HD21 ASN A 142 -9.500 -15.850 -5.353 1.00 0.00 H ATOM 1336 H ASN A 142 -7.314 -12.691 -6.350 1.00 0.00 H ATOM 1337 N ALA A 143 -6.552 -12.817 -10.420 1.00 49.88 N ATOM 1338 CA ALA A 143 -5.894 -11.854 -11.329 1.00 44.56 C ATOM 1339 C ALA A 143 -6.315 -12.173 -12.717 1.00 45.18 C ATOM 1340 O ALA A 143 -6.426 -13.368 -13.055 1.00 45.77 O ATOM 1341 CB ALA A 143 -4.434 -12.012 -11.232 1.00 40.42 C ATOM 1342 H ALA A 143 -6.655 -13.800 -10.745 1.00 0.00 H ATOM 1343 N SER A 144 -6.605 -11.135 -13.517 1.00 46.11 N ATOM 1344 CA SER A 144 -6.802 -11.321 -14.991 1.00 46.86 C ATOM 1345 C SER A 144 -6.019 -10.291 -15.791 1.00 43.71 C ATOM 1346 O SER A 144 -5.427 -9.331 -15.210 1.00 43.55 O ATOM 1347 CB SER A 144 -8.251 -11.312 -15.376 1.00 52.18 C ATOM 1348 OG SER A 144 -8.795 -10.135 -14.890 1.00 56.45 O ATOM 1349 HG SER A 144 -8.322 -9.364 -15.292 1.00 0.00 H ATOM 1350 H SER A 144 -6.695 -10.184 -13.106 1.00 0.00 H ATOM 1351 N GLY A 145 -5.939 -10.526 -17.096 1.00 41.61 N ATOM 1352 CA GLY A 145 -5.366 -9.541 -17.999 1.00 39.48 C ATOM 1353 C GLY A 145 -3.897 -9.484 -17.795 1.00 34.80 C ATOM 1354 O GLY A 145 -3.230 -10.545 -17.763 1.00 32.37 O ATOM 1355 H GLY A 145 -6.291 -11.427 -17.477 1.00 0.00 H ATOM 1356 N TRP A 146 -3.367 -8.276 -17.628 1.00 34.94 N ATOM 1357 CA TRP A 146 -1.878 -8.116 -17.621 1.00 29.69 C ATOM 1358 C TRP A 146 -1.302 -8.522 -16.291 1.00 28.42 C ATOM 1359 O TRP A 146 -0.250 -9.189 -16.215 1.00 26.55 O ATOM 1360 CB TRP A 146 -1.501 -6.670 -17.989 1.00 31.37 C ATOM 1361 CG TRP A 146 -0.162 -6.493 -18.606 1.00 28.84 C ATOM 1362 CD1 TRP A 146 0.912 -5.918 -18.024 1.00 29.22 C ATOM 1363 CD2 TRP A 146 0.298 -6.994 -19.884 1.00 27.06 C ATOM 1364 NE1 TRP A 146 1.968 -5.940 -18.868 1.00 27.32 N ATOM 1365 CE2 TRP A 146 1.636 -6.598 -20.017 1.00 23.84 C ATOM 1366 CE3 TRP A 146 -0.307 -7.677 -20.934 1.00 26.50 C ATOM 1367 CZ2 TRP A 146 2.423 -6.880 -21.158 1.00 23.66 C ATOM 1368 CZ3 TRP A 146 0.486 -7.961 -22.075 1.00 30.74 C ATOM 1369 CH2 TRP A 146 1.842 -7.556 -22.163 1.00 25.29 C ATOM 1370 HE1 TRP A 146 2.898 -5.517 -18.671 1.00 0.00 H ATOM 1371 H TRP A 146 -3.983 -7.447 -17.503 1.00 0.00 H ATOM 1372 N GLN A 147 -1.939 -8.090 -15.218 1.00 31.60 N ATOM 1373 CA GLN A 147 -1.687 -8.682 -13.885 1.00 30.81 C ATOM 1374 C GLN A 147 -1.549 -10.201 -13.866 1.00 30.24 C ATOM 1375 O GLN A 147 -0.601 -10.680 -13.269 1.00 30.06 O ATOM 1376 CB GLN A 147 -2.647 -8.220 -12.810 1.00 32.43 C ATOM 1377 CG GLN A 147 -2.015 -8.406 -11.371 1.00 34.20 C ATOM 1378 CD GLN A 147 -3.002 -8.088 -10.227 1.00 34.51 C ATOM 1379 OE1 GLN A 147 -2.657 -7.591 -9.194 1.00 37.64 O ATOM 1380 NE2 GLN A 147 -4.216 -8.324 -10.479 1.00 39.80 N ATOM 1381 HE22 GLN A 147 -4.484 -8.757 -11.386 1.00 0.00 H ATOM 1382 HE21 GLN A 147 -4.948 -8.086 -9.780 1.00 0.00 H ATOM 1383 H GLN A 147 -2.631 -7.319 -15.311 1.00 0.00 H ATOM 1384 N ALA A 148 -2.421 -10.967 -14.529 1.00 32.91 N ATOM 1385 CA ALA A 148 -2.282 -12.432 -14.487 1.00 33.03 C ATOM 1386 C ALA A 148 -1.014 -12.894 -15.239 1.00 30.67 C ATOM 1387 O ALA A 148 -0.456 -13.958 -14.925 1.00 30.67 O ATOM 1388 CB ALA A 148 -3.500 -13.114 -15.048 1.00 36.45 C ATOM 1389 H ALA A 148 -3.193 -10.530 -15.072 1.00 0.00 H ATOM 1390 N ARG A 149 -0.582 -12.064 -16.218 1.00 29.14 N ATOM 1391 CA ARG A 149 0.546 -12.281 -17.125 1.00 24.14 C ATOM 1392 C ARG A 149 1.771 -12.173 -16.291 1.00 21.25 C ATOM 1393 O ARG A 149 2.598 -13.121 -16.290 1.00 20.40 O ATOM 1394 CB ARG A 149 0.587 -11.246 -18.305 1.00 24.21 C ATOM 1395 CG ARG A 149 1.718 -11.465 -19.329 1.00 18.78 C ATOM 1396 CD ARG A 149 1.669 -10.619 -20.655 1.00 24.29 C ATOM 1397 NE ARG A 149 0.675 -11.194 -21.597 1.00 23.49 N ATOM 1398 CZ ARG A 149 0.949 -12.189 -22.412 1.00 20.62 C ATOM 1399 NH1 ARG A 149 2.226 -12.666 -22.454 1.00 21.69 N ATOM 1400 NH2 ARG A 149 0.004 -12.725 -23.114 1.00 22.93 N ATOM 1401 HE ARG A 149 -0.283 -10.790 -21.613 1.00 0.00 H ATOM 1402 HH12 ARG A 149 2.467 -13.452 -23.091 1.00 0.00 H ATOM 1403 HH11 ARG A 149 2.959 -12.243 -21.849 1.00 0.00 H ATOM 1404 HH22 ARG A 149 0.218 -13.512 -23.759 1.00 0.00 H ATOM 1405 HH21 ARG A 149 -0.970 -12.369 -23.033 1.00 0.00 H ATOM 1406 H ARG A 149 -1.109 -11.176 -16.338 1.00 0.00 H ATOM 1407 N ILE A 150 1.904 -11.053 -15.592 1.00 20.01 N ATOM 1408 CA ILE A 150 3.081 -10.821 -14.696 1.00 17.15 C ATOM 1409 C ILE A 150 3.210 -11.895 -13.586 1.00 18.24 C ATOM 1410 O ILE A 150 4.269 -12.380 -13.269 1.00 16.39 O ATOM 1411 CB ILE A 150 2.983 -9.425 -14.062 1.00 18.39 C ATOM 1412 CG1 ILE A 150 2.880 -8.324 -15.118 1.00 11.17 C ATOM 1413 CG2 ILE A 150 4.065 -9.201 -13.052 1.00 15.33 C ATOM 1414 CD1 ILE A 150 2.483 -7.059 -14.472 1.00 13.44 C ATOM 1415 H ILE A 150 1.172 -10.318 -15.668 1.00 0.00 H ATOM 1416 N LEU A 151 2.078 -12.295 -13.010 1.00 20.92 N ATOM 1417 CA LEU A 151 2.072 -13.387 -12.069 1.00 19.83 C ATOM 1418 C LEU A 151 2.641 -14.645 -12.684 1.00 19.61 C ATOM 1419 O LEU A 151 3.315 -15.401 -12.041 1.00 22.14 O ATOM 1420 CB LEU A 151 0.634 -13.614 -11.555 1.00 21.88 C ATOM 1421 CG LEU A 151 0.333 -12.489 -10.522 1.00 22.70 C ATOM 1422 CD1 LEU A 151 -1.115 -12.232 -10.310 1.00 23.17 C ATOM 1423 CD2 LEU A 151 1.100 -12.685 -9.119 1.00 19.05 C ATOM 1424 H LEU A 151 1.186 -11.813 -13.242 1.00 0.00 H ATOM 1425 N GLN A 152 2.378 -14.920 -13.930 1.00 20.73 N ATOM 1426 CA GLN A 152 2.805 -16.177 -14.482 1.00 20.58 C ATOM 1427 C GLN A 152 4.307 -16.103 -14.814 1.00 18.34 C ATOM 1428 O GLN A 152 5.059 -17.062 -14.659 1.00 17.83 O ATOM 1429 CB GLN A 152 1.972 -16.450 -15.715 1.00 21.91 C ATOM 1430 CG GLN A 152 0.606 -16.964 -15.395 1.00 22.72 C ATOM 1431 CD GLN A 152 -0.303 -16.881 -16.576 1.00 27.02 C ATOM 1432 OE1 GLN A 152 -0.252 -17.746 -17.437 1.00 28.54 O ATOM 1433 NE2 GLN A 152 -1.156 -15.854 -16.627 1.00 25.02 N ATOM 1434 HE22 GLN A 152 -1.160 -15.143 -15.868 1.00 0.00 H ATOM 1435 HE21 GLN A 152 -1.816 -15.765 -17.426 1.00 0.00 H ATOM 1436 H GLN A 152 1.863 -14.236 -14.521 1.00 0.00 H ATOM 1437 N HIS A 153 4.723 -14.916 -15.243 1.00 17.91 N ATOM 1438 CA HIS A 153 6.096 -14.616 -15.644 1.00 14.61 C ATOM 1439 C HIS A 153 7.010 -14.776 -14.465 1.00 13.71 C ATOM 1440 O HIS A 153 8.043 -15.399 -14.583 1.00 14.25 O ATOM 1441 CB HIS A 153 6.144 -13.208 -16.125 1.00 13.74 C ATOM 1442 CG HIS A 153 7.460 -12.836 -16.701 1.00 17.06 C ATOM 1443 ND1 HIS A 153 7.734 -12.932 -18.058 1.00 19.32 N ATOM 1444 CD2 HIS A 153 8.586 -12.366 -16.107 1.00 13.77 C ATOM 1445 CE1 HIS A 153 8.996 -12.571 -18.256 1.00 18.81 C ATOM 1446 NE2 HIS A 153 9.522 -12.225 -17.093 1.00 17.02 N ATOM 1447 H HIS A 153 4.024 -14.148 -15.297 1.00 0.00 H ATOM 1448 N GLU A 154 6.619 -14.196 -13.321 1.00 15.26 N ATOM 1449 CA GLU A 154 7.386 -14.163 -12.071 1.00 12.95 C ATOM 1450 C GLU A 154 7.361 -15.571 -11.402 1.00 15.17 C ATOM 1451 O GLU A 154 8.392 -16.159 -11.045 1.00 13.64 O ATOM 1452 CB GLU A 154 6.860 -13.083 -11.180 1.00 12.74 C ATOM 1453 CG GLU A 154 6.964 -11.545 -11.659 1.00 12.55 C ATOM 1454 CD GLU A 154 8.043 -11.166 -12.692 1.00 19.88 C ATOM 1455 OE1 GLU A 154 9.250 -11.677 -12.720 1.00 19.04 O ATOM 1456 OE2 GLU A 154 7.690 -10.222 -13.477 1.00 19.34 O ATOM 1457 H GLU A 154 5.690 -13.728 -13.320 1.00 0.00 H ATOM 1458 N CYS A 155 6.178 -16.149 -11.336 1.00 17.27 N ATOM 1459 CA CYS A 155 6.053 -17.517 -10.880 1.00 19.95 C ATOM 1460 C CYS A 155 6.931 -18.481 -11.689 1.00 20.50 C ATOM 1461 O CYS A 155 7.665 -19.215 -11.121 1.00 22.07 O ATOM 1462 CB CYS A 155 4.591 -17.888 -10.880 1.00 22.90 C ATOM 1463 SG CYS A 155 3.798 -17.250 -9.336 1.00 26.08 S ATOM 1464 H CYS A 155 5.328 -15.618 -11.614 1.00 0.00 H ATOM 1465 N ASP A 156 6.894 -18.430 -13.017 1.00 20.44 N ATOM 1466 CA ASP A 156 7.775 -19.218 -13.854 1.00 20.29 C ATOM 1467 C ASP A 156 9.237 -19.179 -13.387 1.00 19.56 C ATOM 1468 O ASP A 156 9.913 -20.201 -13.395 1.00 20.43 O ATOM 1469 CB ASP A 156 7.710 -18.690 -15.312 1.00 19.00 C ATOM 1470 CG ASP A 156 6.573 -19.312 -16.138 1.00 22.74 C ATOM 1471 OD1 ASP A 156 6.531 -19.110 -17.385 1.00 25.78 O ATOM 1472 OD2 ASP A 156 5.677 -19.944 -15.564 1.00 25.89 O ATOM 1473 H ASP A 156 6.205 -17.799 -13.473 1.00 0.00 H ATOM 1474 N HIS A 157 9.762 -17.995 -13.100 1.00 18.24 N ATOM 1475 CA HIS A 157 11.154 -17.871 -12.602 1.00 19.18 C ATOM 1476 C HIS A 157 11.543 -18.843 -11.475 1.00 21.81 C ATOM 1477 O HIS A 157 12.661 -19.419 -11.477 1.00 23.68 O ATOM 1478 CB HIS A 157 11.420 -16.458 -12.088 1.00 18.42 C ATOM 1479 CG HIS A 157 11.748 -15.479 -13.177 1.00 16.03 C ATOM 1480 ND1 HIS A 157 12.883 -15.586 -13.928 1.00 9.21 N ATOM 1481 CD2 HIS A 157 11.097 -14.397 -13.644 1.00 17.21 C ATOM 1482 CE1 HIS A 157 12.956 -14.604 -14.788 1.00 10.10 C ATOM 1483 NE2 HIS A 157 11.892 -13.854 -14.640 1.00 14.57 N ATOM 1484 H HIS A 157 9.187 -17.138 -13.226 1.00 0.00 H ATOM 1485 N LEU A 158 10.604 -19.045 -10.534 1.00 21.83 N ATOM 1486 CA LEU A 158 10.847 -19.781 -9.286 1.00 21.52 C ATOM 1487 C LEU A 158 11.036 -21.277 -9.616 1.00 25.22 C ATOM 1488 O LEU A 158 11.718 -22.017 -8.843 1.00 25.45 O ATOM 1489 CB LEU A 158 9.645 -19.561 -8.362 1.00 21.50 C ATOM 1490 CG LEU A 158 9.284 -18.142 -7.952 1.00 16.40 C ATOM 1491 CD1 LEU A 158 8.210 -18.013 -6.934 1.00 11.88 C ATOM 1492 CD2 LEU A 158 10.581 -17.377 -7.539 1.00 14.52 C ATOM 1493 H LEU A 158 9.653 -18.659 -10.699 1.00 0.00 H ATOM 1494 N ASP A 159 10.470 -21.718 -10.772 1.00 24.68 N ATOM 1495 CA ASP A 159 10.755 -23.100 -11.222 1.00 27.49 C ATOM 1496 C ASP A 159 11.857 -23.156 -12.246 1.00 25.89 C ATOM 1497 O ASP A 159 12.201 -24.253 -12.734 1.00 30.79 O ATOM 1498 CB ASP A 159 9.531 -23.958 -11.612 1.00 29.49 C ATOM 1499 CG ASP A 159 8.477 -24.002 -10.515 1.00 34.69 C ATOM 1500 OD1 ASP A 159 8.845 -24.051 -9.305 1.00 37.73 O ATOM 1501 OD2 ASP A 159 7.275 -23.913 -10.847 1.00 35.76 O ATOM 1502 H ASP A 159 9.849 -21.097 -11.329 1.00 0.00 H ATOM 1503 N GLY A 160 12.522 -22.037 -12.449 1.00 21.81 N ATOM 1504 CA GLY A 160 13.682 -22.040 -13.302 1.00 20.79 C ATOM 1505 C GLY A 160 13.321 -21.974 -14.772 1.00 20.05 C ATOM 1506 O GLY A 160 14.114 -22.409 -15.630 1.00 21.26 O ATOM 1507 H GLY A 160 12.210 -21.155 -11.995 1.00 0.00 H ATOM 1508 N ASN A 161 12.149 -21.405 -15.067 1.00 18.12 N ATOM 1509 CA ASN A 161 11.647 -21.225 -16.416 1.00 17.41 C ATOM 1510 C ASN A 161 11.656 -19.728 -16.871 1.00 16.23 C ATOM 1511 O ASN A 161 11.118 -18.874 -16.158 1.00 13.35 O ATOM 1512 CB ASN A 161 10.239 -21.746 -16.440 1.00 17.58 C ATOM 1513 CG ASN A 161 10.173 -23.242 -16.114 1.00 23.87 C ATOM 1514 OD1 ASN A 161 11.149 -23.993 -16.408 1.00 26.95 O ATOM 1515 ND2 ASN A 161 9.093 -23.659 -15.364 1.00 19.67 N ATOM 1516 HD22 ASN A 161 8.319 -22.997 -15.154 1.00 0.00 H ATOM 1517 HD21 ASN A 161 9.053 -24.636 -15.009 1.00 0.00 H ATOM 1518 H ASN A 161 11.559 -21.070 -14.279 1.00 0.00 H ATOM 1519 N LEU A 162 12.274 -19.426 -18.055 1.00 16.25 N ATOM 1520 CA LEU A 162 12.217 -18.079 -18.666 1.00 14.37 C ATOM 1521 C LEU A 162 11.359 -18.177 -19.947 1.00 14.61 C ATOM 1522 O LEU A 162 11.076 -19.266 -20.430 1.00 17.32 O ATOM 1523 CB LEU A 162 13.626 -17.408 -18.881 1.00 16.23 C ATOM 1524 CG LEU A 162 14.836 -17.492 -17.934 1.00 20.91 C ATOM 1525 CD1 LEU A 162 16.134 -16.849 -18.474 1.00 24.08 C ATOM 1526 CD2 LEU A 162 14.482 -16.937 -16.552 1.00 27.90 C ATOM 1527 H LEU A 162 12.805 -20.174 -18.545 1.00 0.00 H ATOM 1528 N TYR A 163 10.812 -17.055 -20.409 1.00 13.29 N ATOM 1529 CA TYR A 163 9.857 -16.996 -21.479 1.00 12.67 C ATOM 1530 C TYR A 163 10.465 -17.420 -22.878 1.00 15.02 C ATOM 1531 O TYR A 163 9.729 -17.875 -23.767 1.00 18.44 O ATOM 1532 CB TYR A 163 9.267 -15.538 -21.513 1.00 13.27 C ATOM 1533 CG TYR A 163 10.152 -14.527 -22.215 1.00 12.35 C ATOM 1534 CD1 TYR A 163 10.071 -14.321 -23.635 1.00 12.68 C ATOM 1535 CD2 TYR A 163 11.109 -13.829 -21.527 1.00 8.44 C ATOM 1536 CE1 TYR A 163 10.878 -13.397 -24.291 1.00 5.59 C ATOM 1537 CE2 TYR A 163 12.045 -12.998 -22.225 1.00 10.28 C ATOM 1538 CZ TYR A 163 11.904 -12.760 -23.583 1.00 14.21 C ATOM 1539 OH TYR A 163 12.795 -11.850 -24.221 1.00 14.12 O ATOM 1540 HH TYR A 163 12.709 -10.957 -23.802 1.00 0.00 H ATOM 1541 H TYR A 163 11.096 -16.159 -19.964 1.00 0.00 H ATOM 1542 N VAL A 164 11.788 -17.343 -23.055 1.00 15.76 N ATOM 1543 CA VAL A 164 12.461 -17.576 -24.332 1.00 16.13 C ATOM 1544 C VAL A 164 12.303 -19.038 -24.597 1.00 18.14 C ATOM 1545 O VAL A 164 12.463 -19.496 -25.736 1.00 21.80 O ATOM 1546 CB VAL A 164 13.998 -17.135 -24.347 1.00 16.50 C ATOM 1547 CG1 VAL A 164 14.192 -15.600 -24.353 1.00 9.68 C ATOM 1548 CG2 VAL A 164 14.746 -17.728 -23.177 1.00 19.88 C ATOM 1549 H VAL A 164 12.376 -17.102 -22.232 1.00 0.00 H ATOM 1550 N ASP A 165 11.873 -19.756 -23.589 1.00 17.01 N ATOM 1551 CA ASP A 165 11.710 -21.184 -23.731 1.00 19.97 C ATOM 1552 C ASP A 165 10.213 -21.520 -23.825 1.00 21.34 C ATOM 1553 O ASP A 165 9.805 -22.694 -23.909 1.00 22.92 O ATOM 1554 CB ASP A 165 12.404 -21.930 -22.586 1.00 19.13 C ATOM 1555 CG ASP A 165 13.895 -21.913 -22.708 1.00 22.20 C ATOM 1556 OD1 ASP A 165 14.541 -21.857 -21.642 1.00 20.83 O ATOM 1557 OD2 ASP A 165 14.444 -21.993 -23.874 1.00 22.76 O ATOM 1558 H ASP A 165 11.648 -19.296 -22.684 1.00 0.00 H ATOM 1559 N LYS A 166 9.402 -20.471 -23.888 1.00 20.79 N ATOM 1560 CA LYS A 166 7.938 -20.666 -24.083 1.00 23.25 C ATOM 1561 C LYS A 166 7.282 -19.621 -25.006 1.00 22.99 C ATOM 1562 O LYS A 166 6.096 -19.284 -24.843 1.00 25.08 O ATOM 1563 CB LYS A 166 7.197 -20.791 -22.694 1.00 23.79 C ATOM 1564 CG LYS A 166 7.131 -19.475 -21.833 1.00 19.05 C ATOM 1565 CD LYS A 166 6.145 -19.635 -20.743 1.00 20.66 C ATOM 1566 CE LYS A 166 6.380 -21.000 -20.152 1.00 25.52 C ATOM 1567 NZ LYS A 166 5.695 -21.267 -18.940 1.00 20.61 N ATOM 1568 HZ1 LYS A 166 5.990 -20.579 -18.218 1.00 0.00 H ATOM 1569 HZ2 LYS A 166 4.670 -21.188 -19.098 1.00 0.00 H ATOM 1570 HZ3 LYS A 166 5.924 -22.229 -18.618 1.00 0.00 H ATOM 1571 H LYS A 166 9.790 -19.510 -23.801 1.00 0.00 H ATOM 1572 N MET A 167 8.076 -19.052 -25.909 1.00 22.31 N ATOM 1573 CA MET A 167 7.639 -18.017 -26.826 1.00 21.30 C ATOM 1574 C MET A 167 7.190 -18.672 -28.162 1.00 23.58 C ATOM 1575 O MET A 167 7.629 -19.780 -28.496 1.00 26.22 O ATOM 1576 CB MET A 167 8.781 -17.051 -27.037 1.00 19.03 C ATOM 1577 CG MET A 167 10.038 -17.697 -27.822 1.00 22.59 C ATOM 1578 SD MET A 167 11.319 -16.468 -27.750 1.00 18.04 S ATOM 1579 CE MET A 167 12.760 -17.135 -28.603 1.00 17.77 C ATOM 1580 H MET A 167 9.066 -19.367 -25.960 1.00 0.00 H ATOM 1581 N VAL A 168 6.263 -18.034 -28.867 1.00 23.07 N ATOM 1582 CA VAL A 168 5.889 -18.406 -30.211 1.00 23.48 C ATOM 1583 C VAL A 168 7.056 -18.215 -31.173 1.00 23.53 C ATOM 1584 O VAL A 168 7.611 -17.125 -31.215 1.00 21.87 O ATOM 1585 CB VAL A 168 4.744 -17.444 -30.763 1.00 25.45 C ATOM 1586 CG1 VAL A 168 4.408 -17.665 -32.340 1.00 22.12 C ATOM 1587 CG2 VAL A 168 3.486 -17.493 -29.899 1.00 26.27 C ATOM 1588 H VAL A 168 5.781 -17.224 -28.428 1.00 0.00 H ATOM 1589 N PRO A 169 7.323 -19.221 -32.048 1.00 25.82 N ATOM 1590 CA PRO A 169 8.369 -19.100 -33.027 1.00 25.74 C ATOM 1591 C PRO A 169 8.222 -17.864 -33.916 1.00 27.03 C ATOM 1592 O PRO A 169 7.052 -17.457 -34.236 1.00 27.03 O ATOM 1593 CB PRO A 169 8.250 -20.384 -33.840 1.00 29.44 C ATOM 1594 CG PRO A 169 7.585 -21.354 -32.970 1.00 30.50 C ATOM 1595 CD PRO A 169 6.639 -20.534 -32.166 1.00 29.15 C ATOM 1596 N ARG A 170 9.409 -17.284 -34.270 1.00 24.46 N ATOM 1597 CA ARG A 170 9.545 -16.208 -35.222 1.00 25.37 C ATOM 1598 C ARG A 170 9.045 -14.829 -34.776 1.00 24.31 C ATOM 1599 O ARG A 170 8.755 -13.954 -35.629 1.00 26.13 O ATOM 1600 CB ARG A 170 8.817 -16.552 -36.550 1.00 28.76 C ATOM 1601 CG ARG A 170 9.406 -17.715 -37.250 1.00 31.53 C ATOM 1602 CD ARG A 170 8.713 -18.003 -38.549 1.00 36.68 C ATOM 1603 NE ARG A 170 8.993 -19.402 -38.775 1.00 43.66 N ATOM 1604 CZ ARG A 170 8.847 -20.027 -39.914 1.00 48.27 C ATOM 1605 NH1 ARG A 170 9.196 -21.315 -40.036 1.00 53.71 N ATOM 1606 NH2 ARG A 170 8.347 -19.361 -40.930 1.00 57.64 N ATOM 1607 HE ARG A 170 9.339 -19.957 -37.966 1.00 0.00 H ATOM 1608 HH12 ARG A 170 9.076 -21.802 -40.947 1.00 0.00 H ATOM 1609 HH11 ARG A 170 9.587 -21.827 -39.220 1.00 0.00 H ATOM 1610 HH22 ARG A 170 8.219 -19.832 -41.848 1.00 0.00 H ATOM 1611 HH21 ARG A 170 8.079 -18.363 -40.816 1.00 0.00 H ATOM 1612 H ARG A 170 10.275 -17.644 -33.821 1.00 0.00 H ATOM 1613 N THR A 171 8.890 -14.673 -33.471 1.00 22.64 N ATOM 1614 CA THR A 171 8.432 -13.453 -32.793 1.00 21.44 C ATOM 1615 C THR A 171 9.522 -12.854 -31.947 1.00 21.72 C ATOM 1616 O THR A 171 9.451 -11.628 -31.708 1.00 24.43 O ATOM 1617 CB THR A 171 7.131 -13.614 -31.899 1.00 22.03 C ATOM 1618 OG1 THR A 171 7.405 -14.479 -30.777 1.00 18.68 O ATOM 1619 CG2 THR A 171 5.973 -14.114 -32.733 1.00 17.36 C ATOM 1620 HG1 THR A 171 7.685 -15.369 -31.108 1.00 0.00 H ATOM 1621 H THR A 171 9.113 -15.491 -32.869 1.00 0.00 H ATOM 1622 N PHE A 172 10.555 -13.633 -31.575 1.00 18.08 N ATOM 1623 CA PHE A 172 11.633 -13.076 -30.818 1.00 17.82 C ATOM 1624 C PHE A 172 12.234 -11.878 -31.561 1.00 18.99 C ATOM 1625 O PHE A 172 12.420 -11.989 -32.749 1.00 22.57 O ATOM 1626 CB PHE A 172 12.685 -14.163 -30.579 1.00 17.89 C ATOM 1627 CG PHE A 172 13.772 -13.762 -29.620 1.00 18.39 C ATOM 1628 CD1 PHE A 172 13.517 -13.640 -28.250 1.00 18.41 C ATOM 1629 CD2 PHE A 172 15.116 -13.614 -30.075 1.00 21.41 C ATOM 1630 CE1 PHE A 172 14.579 -13.293 -27.381 1.00 16.27 C ATOM 1631 CE2 PHE A 172 16.118 -13.269 -29.218 1.00 14.73 C ATOM 1632 CZ PHE A 172 15.871 -13.130 -27.898 1.00 14.35 C ATOM 1633 H PHE A 172 10.569 -14.639 -31.838 1.00 0.00 H ATOM 1634 N ARG A 173 12.576 -10.777 -30.885 1.00 18.26 N ATOM 1635 CA ARG A 173 12.937 -9.494 -31.555 1.00 18.64 C ATOM 1636 C ARG A 173 13.635 -8.522 -30.673 1.00 18.84 C ATOM 1637 O ARG A 173 13.446 -8.524 -29.468 1.00 17.53 O ATOM 1638 CB ARG A 173 11.732 -8.748 -32.108 1.00 20.70 C ATOM 1639 CG ARG A 173 10.430 -8.708 -31.277 1.00 18.94 C ATOM 1640 CD ARG A 173 9.319 -8.159 -32.145 1.00 24.34 C ATOM 1641 NE ARG A 173 8.965 -9.112 -33.195 1.00 24.77 N ATOM 1642 CZ ARG A 173 8.151 -8.852 -34.215 1.00 28.21 C ATOM 1643 NH1 ARG A 173 7.618 -7.631 -34.359 1.00 26.18 N ATOM 1644 NH2 ARG A 173 7.905 -9.814 -35.116 1.00 29.07 N ATOM 1645 HE ARG A 173 9.380 -10.064 -33.141 1.00 0.00 H ATOM 1646 HH12 ARG A 173 6.982 -7.432 -35.158 1.00 0.00 H ATOM 1647 HH11 ARG A 173 7.840 -6.882 -33.672 1.00 0.00 H ATOM 1648 HH22 ARG A 173 7.271 -9.625 -35.918 1.00 0.00 H ATOM 1649 HH21 ARG A 173 8.348 -10.749 -35.012 1.00 0.00 H ATOM 1650 H ARG A 173 12.591 -10.816 -29.846 1.00 0.00 H ATOM 1651 N THR A 174 14.454 -7.663 -31.267 1.00 23.39 N ATOM 1652 CA THR A 174 15.152 -6.671 -30.444 1.00 26.46 C ATOM 1653 C THR A 174 14.050 -5.701 -29.934 1.00 27.74 C ATOM 1654 O THR A 174 13.020 -5.565 -30.572 1.00 29.16 O ATOM 1655 CB THR A 174 16.208 -5.915 -31.211 1.00 27.91 C ATOM 1656 OG1 THR A 174 15.541 -5.270 -32.263 1.00 33.86 O ATOM 1657 CG2 THR A 174 17.235 -6.846 -31.857 1.00 28.79 C ATOM 1658 HG1 THR A 174 14.860 -4.654 -31.892 1.00 0.00 H ATOM 1659 H THR A 174 14.598 -7.693 -32.297 1.00 0.00 H ATOM 1660 N VAL A 175 14.253 -5.019 -28.812 1.00 28.71 N ATOM 1661 CA VAL A 175 13.309 -3.940 -28.437 1.00 30.48 C ATOM 1662 C VAL A 175 13.026 -3.046 -29.652 1.00 33.90 C ATOM 1663 O VAL A 175 11.861 -2.819 -30.003 1.00 35.30 O ATOM 1664 CB VAL A 175 13.734 -3.134 -27.166 1.00 32.23 C ATOM 1665 CG1 VAL A 175 12.751 -1.985 -26.954 1.00 35.95 C ATOM 1666 CG2 VAL A 175 13.704 -4.059 -25.909 1.00 27.50 C ATOM 1667 H VAL A 175 15.066 -5.240 -28.203 1.00 0.00 H ATOM 1668 N ASP A 176 14.062 -2.582 -30.336 1.00 35.82 N ATOM 1669 CA ASP A 176 13.838 -1.702 -31.506 1.00 39.31 C ATOM 1670 C ASP A 176 12.951 -2.174 -32.643 1.00 38.85 C ATOM 1671 O ASP A 176 12.458 -1.347 -33.416 1.00 41.79 O ATOM 1672 CB ASP A 176 15.152 -1.325 -32.081 1.00 43.04 C ATOM 1673 CG ASP A 176 15.836 -0.370 -31.224 1.00 50.03 C ATOM 1674 OD1 ASP A 176 16.916 0.075 -31.614 1.00 58.08 O ATOM 1675 OD2 ASP A 176 15.262 -0.050 -30.138 1.00 55.37 O ATOM 1676 H ASP A 176 15.030 -2.835 -30.052 1.00 0.00 H ATOM 1677 N ASN A 177 12.779 -3.492 -32.757 1.00 35.30 N ATOM 1678 CA ASN A 177 12.067 -4.118 -33.846 1.00 35.28 C ATOM 1679 C ASN A 177 10.682 -4.440 -33.284 1.00 33.39 C ATOM 1680 O ASN A 177 9.807 -4.958 -33.950 1.00 35.68 O ATOM 1681 CB ASN A 177 12.864 -5.342 -34.402 1.00 34.00 C ATOM 1682 CG ASN A 177 14.078 -4.939 -35.319 1.00 38.60 C ATOM 1683 OD1 ASN A 177 14.227 -3.776 -35.699 1.00 40.90 O ATOM 1684 ND2 ASN A 177 14.939 -5.921 -35.680 1.00 38.11 N ATOM 1685 HD22 ASN A 177 14.789 -6.894 -35.344 1.00 0.00 H ATOM 1686 HD21 ASN A 177 15.750 -5.702 -36.293 1.00 0.00 H ATOM 1687 H ASN A 177 13.181 -4.104 -32.019 1.00 0.00 H ATOM 1688 N LEU A 178 10.428 -4.000 -32.073 1.00 32.78 N ATOM 1689 CA LEU A 178 9.189 -4.340 -31.402 1.00 31.03 C ATOM 1690 C LEU A 178 7.965 -4.188 -32.296 1.00 35.58 C ATOM 1691 O LEU A 178 7.210 -5.152 -32.422 1.00 35.81 O ATOM 1692 CB LEU A 178 9.038 -3.614 -30.069 1.00 30.07 C ATOM 1693 CG LEU A 178 7.771 -3.967 -29.208 1.00 31.08 C ATOM 1694 CD1 LEU A 178 7.526 -5.500 -28.958 1.00 24.09 C ATOM 1695 CD2 LEU A 178 7.756 -3.217 -27.885 1.00 28.17 C ATOM 1696 H LEU A 178 11.125 -3.399 -31.589 1.00 0.00 H ATOM 1697 N ASP A 179 7.776 -3.026 -32.941 1.00 40.22 N ATOM 1698 CA ASP A 179 6.571 -2.762 -33.729 1.00 44.55 C ATOM 1699 C ASP A 179 6.552 -3.279 -35.208 1.00 45.04 C ATOM 1700 O ASP A 179 5.655 -2.956 -35.977 1.00 46.10 O ATOM 1701 CB ASP A 179 6.184 -1.241 -33.692 1.00 51.29 C ATOM 1702 CG ASP A 179 6.251 -0.611 -32.243 1.00 53.84 C ATOM 1703 OD1 ASP A 179 5.688 -1.156 -31.236 1.00 51.95 O ATOM 1704 OD2 ASP A 179 6.881 0.481 -32.137 1.00 64.66 O ATOM 1705 H ASP A 179 8.509 -2.290 -32.879 1.00 0.00 H ATOM 1706 N LEU A 180 7.547 -4.072 -35.587 1.00 43.07 N ATOM 1707 CA LEU A 180 7.616 -4.591 -36.958 1.00 43.64 C ATOM 1708 C LEU A 180 6.571 -5.714 -37.161 1.00 43.17 C ATOM 1709 O LEU A 180 6.203 -6.439 -36.193 1.00 39.54 O ATOM 1710 CB LEU A 180 9.043 -5.071 -37.312 1.00 41.77 C ATOM 1711 CG LEU A 180 10.144 -4.026 -37.485 1.00 42.15 C ATOM 1712 CD1 LEU A 180 11.288 -4.744 -38.090 1.00 37.04 C ATOM 1713 CD2 LEU A 180 9.682 -2.868 -38.380 1.00 40.42 C ATOM 1714 H LEU A 180 8.287 -4.329 -34.903 1.00 0.00 H ATOM 1715 N PRO A 181 6.105 -5.863 -38.423 1.00 45.07 N ATOM 1716 CA PRO A 181 5.032 -6.802 -38.626 1.00 45.81 C ATOM 1717 C PRO A 181 5.363 -8.267 -38.297 1.00 41.75 C ATOM 1718 O PRO A 181 6.412 -8.720 -38.589 1.00 41.47 O ATOM 1719 CB PRO A 181 4.631 -6.584 -40.133 1.00 50.36 C ATOM 1720 CG PRO A 181 5.308 -5.283 -40.536 1.00 53.61 C ATOM 1721 CD PRO A 181 6.513 -5.177 -39.666 1.00 48.35 C ATOM 1722 N LEU A 182 4.447 -9.015 -37.729 1.00 40.95 N ATOM 1723 CA LEU A 182 4.636 -10.463 -37.692 1.00 39.11 C ATOM 1724 C LEU A 182 4.750 -11.119 -39.077 1.00 41.64 C ATOM 1725 O LEU A 182 3.973 -10.838 -39.993 1.00 45.28 O ATOM 1726 CB LEU A 182 3.486 -11.114 -36.930 1.00 38.25 C ATOM 1727 CG LEU A 182 3.345 -10.623 -35.497 1.00 39.52 C ATOM 1728 CD1 LEU A 182 2.032 -11.026 -34.840 1.00 40.06 C ATOM 1729 CD2 LEU A 182 4.480 -11.147 -34.756 1.00 36.15 C ATOM 1730 H LEU A 182 3.598 -8.583 -37.311 1.00 0.00 H ATOM 1731 N ALA A 183 5.689 -12.038 -39.200 1.00 40.18 N ATOM 1732 CA ALA A 183 5.776 -12.979 -40.332 1.00 43.59 C ATOM 1733 C ALA A 183 4.493 -13.831 -40.624 1.00 45.46 C ATOM 1734 O ALA A 183 3.707 -14.064 -39.740 1.00 45.43 O ATOM 1735 CB ALA A 183 7.032 -13.942 -40.076 1.00 40.72 C ATOM 1736 H ALA A 183 6.411 -12.102 -38.454 1.00 0.00 H ATOM 1737 N GLU A 184 4.329 -14.347 -41.840 1.00 50.37 N ATOM 1738 CA GLU A 184 3.176 -15.208 -42.159 1.00 55.75 C ATOM 1739 C GLU A 184 3.164 -16.479 -41.305 1.00 54.37 C ATOM 1740 O GLU A 184 4.230 -17.068 -41.041 1.00 51.24 O ATOM 1741 CB GLU A 184 3.115 -15.611 -43.666 1.00 60.16 C ATOM 1742 CG GLU A 184 3.243 -14.413 -44.597 1.00 66.37 C ATOM 1743 CD GLU A 184 2.194 -13.279 -44.312 1.00 71.28 C ATOM 1744 OE1 GLU A 184 2.555 -12.064 -44.444 1.00 68.16 O ATOM 1745 OE2 GLU A 184 1.008 -13.612 -43.998 1.00 75.89 O ATOM 1746 H GLU A 184 5.029 -14.138 -42.580 1.00 0.00 H ATOM 1747 N GLY A 185 1.947 -16.916 -40.915 1.00 55.49 N ATOM 1748 CA GLY A 185 1.794 -18.093 -40.025 1.00 54.83 C ATOM 1749 C GLY A 185 2.186 -17.920 -38.542 1.00 50.15 C ATOM 1750 O GLY A 185 2.259 -18.902 -37.768 1.00 48.40 O ATOM 1751 H GLY A 185 1.097 -16.416 -41.246 1.00 0.00 H ATOM 1752 N CYS A 186 2.440 -16.686 -38.152 1.00 47.21 N ATOM 1753 CA CYS A 186 2.535 -16.340 -36.762 1.00 43.89 C ATOM 1754 C CYS A 186 1.120 -16.027 -36.340 1.00 46.86 C ATOM 1755 O CYS A 186 0.428 -15.373 -37.069 1.00 49.36 O ATOM 1756 CB CYS A 186 3.371 -15.083 -36.674 1.00 42.29 C ATOM 1757 SG CYS A 186 5.123 -15.399 -36.576 1.00 34.56 S ATOM 1758 H CYS A 186 2.575 -15.945 -38.869 1.00 0.00 H ATOM 1759 N PRO A 187 0.685 -16.454 -35.125 1.00 47.07 N ATOM 1760 CA PRO A 187 -0.699 -16.135 -34.757 1.00 48.46 C ATOM 1761 C PRO A 187 -0.879 -14.621 -34.458 1.00 47.83 C ATOM 1762 O PRO A 187 0.079 -13.934 -34.208 1.00 45.84 O ATOM 1763 CB PRO A 187 -0.949 -17.003 -33.506 1.00 46.55 C ATOM 1764 CG PRO A 187 0.209 -17.829 -33.318 1.00 45.46 C ATOM 1765 CD PRO A 187 1.389 -17.118 -34.000 1.00 43.04 C ATOM 1766 N LYS A 188 -2.105 -14.097 -34.478 1.00 51.62 N ATOM 1767 CA LYS A 188 -2.292 -12.659 -34.242 1.00 52.37 C ATOM 1768 C LYS A 188 -2.153 -12.442 -32.720 1.00 49.95 C ATOM 1769 O LYS A 188 -2.417 -13.383 -31.934 1.00 50.63 O ATOM 1770 CB LYS A 188 -3.644 -12.145 -34.819 1.00 57.78 C ATOM 1771 H LYS A 188 -2.928 -14.706 -34.661 1.00 0.00 H ATOM 1772 N LEU A 189 -1.690 -11.255 -32.291 1.00 46.91 N ATOM 1773 CA LEU A 189 -1.710 -10.906 -30.878 1.00 43.23 C ATOM 1774 C LEU A 189 -3.164 -10.673 -30.520 1.00 46.29 C ATOM 1775 O LEU A 189 -3.940 -10.354 -31.388 1.00 49.36 O ATOM 1776 CB LEU A 189 -0.860 -9.649 -30.628 1.00 41.48 C ATOM 1777 CG LEU A 189 0.555 -9.663 -31.201 1.00 36.89 C ATOM 1778 CD1 LEU A 189 1.113 -8.270 -31.006 1.00 43.52 C ATOM 1779 CD2 LEU A 189 1.419 -10.604 -30.461 1.00 30.53 C ATOM 1780 H LEU A 189 -1.311 -10.575 -32.980 1.00 0.00 H ATOM 1781 N GLY A 190 -3.523 -10.829 -29.238 1.00 46.84 N ATOM 1782 CA GLY A 190 -4.941 -10.706 -28.718 1.00 49.68 C ATOM 1783 C GLY A 190 -5.307 -11.847 -27.781 1.00 49.90 C ATOM 1784 O GLY A 190 -4.414 -12.536 -27.236 1.00 47.20 O ATOM 1785 H GLY A 190 -2.774 -11.050 -28.551 1.00 0.00 H ATOM 1786 N SER A 191 -6.592 -12.095 -27.618 1.00 56.95 N ATOM 1787 CA SER A 191 -7.139 -13.104 -26.679 1.00 60.08 C ATOM 1788 C SER A 191 -8.380 -13.880 -27.201 1.00 68.27 C ATOM 1789 O SER A 191 -9.019 -13.479 -28.242 1.00 72.03 O ATOM 1790 CB SER A 191 -7.473 -12.401 -25.333 1.00 59.81 C ATOM 1791 OG SER A 191 -8.177 -11.178 -25.576 1.00 58.77 O ATOM 1792 HG SER A 191 -8.384 -10.740 -24.712 1.00 0.00 H ATOM 1793 H SER A 191 -7.268 -11.546 -28.187 1.00 0.00 H ATOM 1794 N HIS A 192 -8.777 -14.949 -26.427 1.00 72.96 N ATOM 1795 CA HIS A 192 -10.126 -15.675 -26.642 1.00 81.31 C ATOM 1796 C HIS A 192 -11.451 -14.927 -26.114 1.00 88.10 C ATOM 1797 O HIS A 192 -11.328 -14.531 -24.870 1.00 87.48 O ATOM 1798 CB HIS A 192 -10.166 -17.165 -26.003 1.00 81.96 C ATOM 1799 CG HIS A 192 -9.088 -18.148 -26.489 1.00 80.71 C ATOM 1800 ND1 HIS A 192 -8.359 -18.972 -25.607 1.00 76.32 N ATOM 1801 CD2 HIS A 192 -8.607 -18.444 -27.739 1.00 82.42 C ATOM 1802 CE1 HIS A 192 -7.453 -19.704 -26.274 1.00 74.39 C ATOM 1803 NE2 HIS A 192 -7.572 -19.392 -27.572 1.00 77.75 N ATOM 1804 H HIS A 192 -8.146 -15.280 -25.670 1.00 0.00 H ATOM 1805 N HIS A 193 -12.487 -14.864 -27.000 1.00 96.27 N ATOM 1806 CA HIS A 193 -13.859 -14.239 -26.697 1.00104.88 C ATOM 1807 C HIS A 193 -14.267 -14.112 -25.245 1.00107.62 C ATOM 1808 O HIS A 193 -14.055 -15.079 -24.427 1.00104.92 O ATOM 1809 CB HIS A 193 -14.920 -15.000 -27.503 1.00111.73 C ATOM 1810 CG HIS A 193 -14.928 -14.649 -28.950 1.00111.48 C ATOM 1811 ND1 HIS A 193 -13.875 -13.977 -29.551 1.00104.03 N ATOM 1812 CD2 HIS A 193 -15.845 -14.887 -29.923 1.00117.16 C ATOM 1813 CE1 HIS A 193 -14.149 -13.809 -30.840 1.00106.66 C ATOM 1814 NE2 HIS A 193 -15.326 -14.368 -31.097 1.00114.72 N ATOM 1815 H HIS A 193 -12.338 -15.267 -27.947 1.00 0.00 H TER 1816 HIS A 193 HETATM 1817 ZN ZN A 1 11.453 -12.166 -15.881 1.00 35.30 ZN HETATM 1818 O HOH 2 10.614 -10.888 -14.050 1.00 29.64 O HETATM 1819 O HOH 3 24.062 -18.832 -8.607 1.00 39.09 O HETATM 1820 O HOH 4 7.727 -0.666 -10.267 1.00 39.71 O HETATM 1821 O HOH 5 2.565 -8.043 0.824 1.00 46.39 O HETATM 1822 O HOH 6 3.217 -19.590 -13.781 1.00 42.18 O HETATM 1823 O HOH 7 9.913 -16.190 -16.503 1.00 22.09 O HETATM 1824 O HOH 8 6.823 -22.354 -14.845 1.00 34.08 O HETATM 1825 O HOH 9 11.854 -26.069 -0.595 1.00 47.30 O HETATM 1826 O HOH 10 6.518 -15.154 9.564 1.00 43.58 O HETATM 1827 O HOH 11 17.204 -11.579 10.220 1.00 36.13 O HETATM 1828 O HOH 12 6.688 -22.555 -27.892 1.00 37.24 O HETATM 1829 O HOH 13 10.557 -21.142 -27.229 1.00 25.41 O HETATM 1830 O HOH 14 3.009 -22.054 -9.147 1.00 36.40 O HETATM 1831 O HOH 15 16.142 -27.392 -10.696 1.00 39.36 O HETATM 1832 O HOH 16 -8.925 3.486 -9.411 1.00 53.71 O HETATM 1833 O HOH 17 20.479 -9.859 5.611 1.00 40.55 O HETATM 1834 O HOH 18 5.322 -25.093 -5.800 1.00 44.20 O HETATM 1835 O HOH 19 -4.721 -2.055 -6.500 1.00 37.55 O HETATM 1836 O HOH 20 1.898 -19.270 -18.812 1.00 38.18 O HETATM 1837 O HOH 21 -5.335 -22.152 0.145 1.00 40.04 O HETATM 1838 O HOH 22 13.812 -23.753 -25.836 1.00 25.83 O HETATM 1839 O HOH 23 11.387 -25.559 -25.649 1.00 39.60 O HETATM 1840 O HOH 24 4.487 -3.809 -21.811 1.00 38.85 O HETATM 1841 O HOH 25 -5.467 1.677 -15.227 1.00 40.76 O HETATM 1842 O HOH 26 -8.116 -11.114 -5.172 1.00 40.31 O HETATM 1843 O HOH 27 11.564 -14.835 -18.464 1.00 33.42 O HETATM 1844 O HOH 28 27.083 -4.241 1.337 1.00 42.82 O HETATM 1845 O HOH 29 3.654 -20.204 -23.312 1.00 38.39 O HETATM 1846 O HOH 30 -14.998 -9.213 -21.256 1.00 48.12 O HETATM 1847 O HOH 31 -5.914 -23.916 -3.167 1.00 48.20 O HETATM 1848 O HOH 32 -0.957 -21.610 2.927 1.00 52.67 O HETATM 1849 O HOH 33 -6.269 -4.201 -10.798 1.00 43.67 O HETATM 1850 O HOH 34 24.975 -1.360 1.812 1.00 57.08 O HETATM 1851 O HOH 35 19.016 -9.347 -1.097 1.00 44.63 O HETATM 1852 O HOH 36 24.916 -8.371 -6.501 1.00 44.10 O HETATM 1853 O HOH 37 20.326 -8.859 -17.624 1.00 33.78 O HETATM 1854 O HOH 38 25.759 -13.772 -12.567 1.00 40.03 O HETATM 1855 O HOH 39 24.665 -12.484 -14.604 1.00 30.24 O HETATM 1856 O HOH 40 20.604 -10.288 -20.302 1.00 39.02 O HETATM 1857 O HOH 41 23.201 -21.965 -16.444 1.00 37.37 O HETATM 1858 O HOH 42 23.020 -21.291 -8.359 1.00 42.09 O HETATM 1859 O HOH 43 18.308 -22.589 -7.098 1.00 41.63 O HETATM 1860 O HOH 44 19.027 -23.809 -3.546 1.00 53.42 O HETATM 1861 O HOH 45 27.392 -20.152 -11.310 1.00 53.11 O HETATM 1862 O HOH 46 16.718 -20.433 -8.149 1.00 39.14 O HETATM 1863 O HOH 47 15.484 -21.170 -17.652 1.00 24.94 O HETATM 1864 O HOH 48 16.892 -26.819 -13.734 1.00 44.92 O HETATM 1865 O HOH 49 13.715 -21.812 -19.343 1.00 33.13 O HETATM 1866 O HOH 50 4.959 -23.715 -2.927 1.00 44.35 O HETATM 1867 O HOH 51 8.807 -28.891 -10.548 1.00 44.95 O HETATM 1868 O HOH 52 13.545 -19.971 4.751 1.00 41.13 O HETATM 1869 O HOH 53 7.330 -22.892 9.970 1.00 48.11 O HETATM 1870 O HOH 54 15.182 -18.575 7.788 1.00 46.69 O HETATM 1871 O HOH 55 14.112 -10.819 12.781 1.00 42.62 O HETATM 1872 O HOH 56 15.357 -12.795 13.236 1.00 54.37 O HETATM 1873 O HOH 57 17.304 -14.145 10.274 1.00 37.76 O HETATM 1874 O HOH 58 18.913 -10.581 3.766 1.00 40.35 O HETATM 1875 O HOH 59 20.388 -9.946 1.317 1.00 41.87 O HETATM 1876 O HOH 60 9.413 -1.901 4.841 1.00 50.03 O HETATM 1877 O HOH 61 9.012 -1.315 0.597 1.00 51.26 O HETATM 1878 O HOH 62 12.878 2.578 -4.651 1.00 45.30 O HETATM 1879 O HOH 63 17.399 -2.288 -11.470 1.00 55.37 O HETATM 1880 O HOH 64 0.551 0.518 -8.732 1.00 46.85 O HETATM 1881 O HOH 65 -2.075 1.587 -7.651 1.00 43.19 O HETATM 1882 O HOH 66 -1.069 -4.356 -15.170 1.00 32.21 O HETATM 1883 O HOH 67 -4.105 -5.771 -15.215 1.00 40.76 O HETATM 1884 O HOH 68 -3.016 5.203 -16.645 1.00 44.27 O HETATM 1885 O HOH 69 -3.275 8.862 -19.548 1.00 40.95 O HETATM 1886 O HOH 70 1.730 -2.749 -22.249 1.00 40.00 O HETATM 1887 O HOH 71 -8.593 -2.631 -19.423 1.00 45.67 O HETATM 1888 O HOH 72 -4.261 -9.826 -21.481 1.00 43.86 O HETATM 1889 O HOH 73 -6.585 -9.487 -23.034 1.00 36.65 O HETATM 1890 O HOH 74 -9.175 -8.267 -17.006 1.00 43.99 O HETATM 1891 O HOH 75 -2.138 -11.550 -21.311 1.00 35.84 O HETATM 1892 O HOH 76 -2.815 -12.781 -18.885 1.00 28.07 O HETATM 1893 O HOH 77 -6.236 -8.963 -11.998 1.00 37.47 O HETATM 1894 O HOH 78 -5.540 -6.105 -12.725 1.00 42.98 O HETATM 1895 O HOH 79 2.140 -21.326 -0.694 1.00 30.17 O HETATM 1896 O HOH 80 -0.317 -22.065 -0.842 1.00 41.07 O HETATM 1897 O HOH 81 -3.186 -23.843 -4.214 1.00 45.43 O HETATM 1898 O HOH 82 -3.825 -19.377 0.805 1.00 41.36 O HETATM 1899 O HOH 83 -3.549 -21.162 -6.589 1.00 40.54 O HETATM 1900 O HOH 84 -2.042 -25.954 -3.871 1.00 38.72 O HETATM 1901 O HOH 85 3.588 -21.430 -12.126 1.00 42.36 O HETATM 1902 O HOH 86 -7.433 -17.957 -18.052 1.00 44.04 O HETATM 1903 O HOH 87 -12.352 -23.496 -18.885 1.00 44.00 O HETATM 1904 O HOH 88 5.671 -5.987 -22.965 1.00 31.18 O HETATM 1905 O HOH 89 13.548 -9.765 -22.569 1.00 42.68 O HETATM 1906 O HOH 90 19.304 -5.185 -28.486 1.00 49.48 O HETATM 1907 O HOH 91 10.454 -11.802 -34.560 1.00 34.25 O HETATM 1908 O HOH 92 10.237 -16.544 -31.281 1.00 38.19 O HETATM 1909 O HOH 93 3.956 -19.165 -25.826 1.00 32.55 O HETATM 1910 O HOH 94 8.352 -17.017 -18.437 1.00 27.34 O HETATM 1911 O HOH 95 -9.864 -11.607 -11.687 1.00 41.91 O HETATM 1912 O HOH 96 4.235 -4.481 -19.107 1.00 33.20 O HETATM 1913 O HOH 97 9.824 -21.864 -19.701 1.00 37.26 O HETATM 1914 O HOH 98 7.934 -24.600 -18.701 1.00 51.82 O HETATM 1915 O HOH 99 8.562 -29.090 -27.533 1.00 46.38 O HETATM 1916 O HOH 100 17.054 -22.041 -23.937 1.00 35.68 O HETATM 1917 O HOH 101 5.001 -18.625 -35.380 1.00 39.29 O HETATM 1918 O HOH 102 7.662 -12.427 -37.262 1.00 42.04 O HETATM 1919 O HOH 103 17.118 -2.618 -29.482 1.00 36.17 O HETATM 1920 O HOH 104 5.524 -0.741 -29.118 1.00 44.51 O HETATM 1921 O HOH 105 1.608 -7.977 -37.493 1.00 42.59 O HETATM 1922 O HOH 106 13.248 2.233 -32.479 1.00 53.57 O HETATM 1923 O HOH 107 -1.128 -9.145 -34.351 1.00 35.89 O HETATM 1924 O HOH 108 9.279 -26.944 -15.036 1.00 50.78 O HETATM 1925 O HOH 109 25.204 -9.939 -14.319 1.00 41.01 O HETATM 1926 O HOH 110 19.749 -3.348 -10.781 1.00 47.02 O HETATM 1927 O HOH 111 28.906 -15.375 -12.633 1.00 41.42 O HETATM 1928 O HOH 112 8.979 5.316 -14.670 1.00 54.88 O HETATM 1929 O HOH 113 -7.368 4.846 -30.593 1.00 54.25 O HETATM 1930 O HOH 114 -1.345 -6.073 -2.496 1.00 41.53 O HETATM 1931 O HOH 115 -5.118 -16.381 -28.138 1.00 53.84 O HETATM 1932 O HOH 116 10.109 -23.690 -26.978 1.00 41.70 O HETATM 1933 O HOH 117 13.156 -0.805 -36.365 1.00 44.48 O HETATM 1934 O HOH 118 -12.161 -11.151 -26.711 1.00 49.79 O HETATM 1935 O HOH 119 24.524 -25.645 -10.956 1.00 44.66 O HETATM 1936 O HOH 120 3.019 -4.953 0.573 1.00 38.22 O HETATM 1937 O HOH 121 26.069 -12.027 -10.244 1.00 45.61 O HETATM 1938 O HOH 122 10.611 -14.619 11.899 1.00 49.37 O HETATM 1939 O HOH 123 15.262 -16.281 8.713 1.00 42.00 O HETATM 1940 O HOH 124 5.559 10.369 -16.152 1.00 47.20 O HETATM 1941 O HOH 125 1.253 7.177 -25.839 1.00 48.08 O HETATM 1942 O HOH 126 4.342 -4.459 -26.413 1.00 43.78 O HETATM 1943 O HOH 127 -5.467 -4.348 -3.904 1.00 49.58 O HETATM 1944 O HOH 128 -1.182 -26.020 -16.745 1.00 49.50 O HETATM 1945 O HOH 129 6.355 -0.870 -38.483 1.00 43.91 O HETATM 1946 O HOH 130 16.458 -2.532 -35.737 1.00 46.45 O HETATM 1947 O HOH 131 -11.204 -8.291 -24.541 1.00 41.27 O HETATM 1948 O HOH 132 3.078 -23.729 -17.686 1.00 52.96 O HETATM 1949 O HOH 133 14.864 -5.684 -20.954 1.00 44.97 O HETATM 1950 O HOH 134 5.275 -25.072 3.970 1.00 52.29 O HETATM 1951 O HOH 135 23.687 -3.065 3.361 1.00 53.08 O HETATM 1952 O HOH 136 4.602 7.519 -25.239 1.00 51.08 O HETATM 1953 O HOH 137 4.856 0.324 -23.243 1.00 43.03 O HETATM 1954 N MET A 138 9.008 -8.166 -14.972 1.00 0.24 N HETATM 1955 CA MET A 138 8.680 -8.232 -16.392 1.00 0.07 C HETATM 1956 C MET A 138 8.944 -6.810 -16.849 1.00 0.23 C HETATM 1957 O MET A 138 8.803 -5.888 -16.055 1.00 -0.39 O HETATM 1958 N MET A 138 9.336 -6.619 -18.111 1.00 -0.26 N HETATM 1959 CA MET A 138 9.548 -5.275 -18.711 1.00 0.13 C HETATM 1960 C MET A 138 8.267 -4.473 -18.590 1.00 0.20 C HETATM 1961 O MET A 138 7.214 -5.052 -18.777 1.00 -0.39 O HETATM 1962 N MET A 138 8.343 -3.184 -18.280 1.00 -0.26 N HETATM 1963 CA MET A 138 7.159 -2.368 -18.052 1.00 0.15 C HETATM 1964 C MET A 138 6.685 -1.628 -19.291 1.00 0.22 C HETATM 1965 O MET A 138 7.342 -1.684 -20.350 1.00 -0.41 O HETATM 1966 O1 MET A 138 5.622 -0.953 -19.249 1.00 -0.41 O HETATM 1967 CB MET A 138 7.467 -1.309 -17.041 1.00 0.08 C HETATM 1968 OG MET A 138 8.170 -0.266 -17.662 1.00 -0.39 O HETATM 1969 H MET A 138 7.638 0.103 -18.358 1.00 0.21 H HETATM 1970 H MET A 138 8.081 -1.738 -16.235 1.00 0.06 H HETATM 1971 H MET A 138 6.529 -0.920 -16.619 1.00 0.06 H HETATM 1972 H MET A 138 6.351 -3.018 -17.685 1.00 0.08 H HETATM 1973 H MET A 138 9.245 -2.759 -18.200 1.00 0.19 H HETATM 1974 CB MET A 138 9.901 -5.481 -20.159 1.00 -0.02 C HETATM 1975 H MET A 138 10.066 -4.505 -20.639 1.00 0.03 H HETATM 1976 H MET A 138 9.077 -6.004 -20.666 1.00 0.03 H HETATM 1977 H MET A 138 10.818 -6.084 -20.231 1.00 0.03 H HETATM 1978 H MET A 138 10.365 -4.750 -18.194 1.00 0.08 H HETATM 1979 H MET A 138 9.496 -7.423 -18.684 1.00 0.19 H HETATM 1980 CB MET A 138 7.197 -8.595 -16.534 1.00 0.02 C HETATM 1981 CG MET A 138 6.921 -9.265 -17.833 1.00 0.00 C HETATM 1982 SD MET A 138 5.256 -9.779 -18.099 1.00 -0.16 S HETATM 1983 CE MET A 138 4.439 -8.225 -18.388 1.00 -0.02 C HETATM 1984 H MET A 138 3.369 -8.402 -18.572 1.00 0.03 H HETATM 1985 H MET A 138 4.886 -7.733 -19.265 1.00 0.03 H HETATM 1986 H MET A 138 4.557 -7.579 -17.506 1.00 0.03 H HETATM 1987 H MET A 138 7.562 -10.156 -17.895 1.00 0.04 H HETATM 1988 H MET A 138 7.189 -8.564 -18.637 1.00 0.04 H HETATM 1989 H MET A 138 6.596 -7.676 -16.472 1.00 0.04 H HETATM 1990 H MET A 138 6.915 -9.273 -15.715 1.00 0.04 H HETATM 1991 H MET A 138 9.307 -8.957 -16.932 1.00 0.11 H HETATM 1992 H MET A 138 8.868 -9.072 -14.552 1.00 0.20 H HETATM 1993 H MET A 138 8.411 -7.491 -14.520 1.00 0.20 H HETATM 1994 H MET A 138 9.971 -7.890 -14.862 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1023 1022 1817 CONECT 1446 1444 1445 1817 CONECT 1483 1481 1482 1817 CONECT 1817 1023 1446 1483 CONECT 1954 1955 1992 1993 1994 CONECT 1955 1954 1956 1980 1991 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 1979 CONECT 1959 1958 1960 1974 1978 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 1973 CONECT 1963 1962 1964 1967 1972 CONECT 1964 1963 1965 1966 CONECT 1965 1964 CONECT 1966 1964 CONECT 1967 1963 1968 1970 1971 CONECT 1968 1967 1969 CONECT 1969 1968 CONECT 1970 1967 CONECT 1971 1967 CONECT 1972 1963 CONECT 1973 1962 CONECT 1974 1959 1975 1976 1977 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1974 CONECT 1978 1959 CONECT 1979 1958 CONECT 1980 1955 1981 1989 1990 CONECT 1981 1980 1982 1987 1988 CONECT 1982 1981 1983 CONECT 1983 1982 1984 1985 1986 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1983 CONECT 1987 1981 CONECT 1988 1981 CONECT 1989 1980 CONECT 1990 1980 CONECT 1991 1955 CONECT 1992 1954 CONECT 1993 1954 CONECT 1994 1954 MASTER 0 0 0 0 0 0 0 0 1993 1 49 15 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4je7
RCSB PDB
PDBbind
197aa, >4JE7_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
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RCSB PDB
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PDBbind
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RCSB PDB
PDBbind
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1b32
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RCSB PDB
PDBbind
3-mer
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PDBbind
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PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
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PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
1mfa
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1mfd
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
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PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
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PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
1y3g
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PDBbind
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2euk
RCSB PDB
PDBbind
3-mer
2eum
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PDBbind
3-mer
2evl
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PDBbind
3-mer
2jdh
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PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
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2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
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PDBbind
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PDBbind
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2yjq
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3-mer
3ap7
RCSB PDB
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PDBbind
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RCSB PDB
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PDBbind
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3gxy
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PDBbind
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RCSB PDB
PDBbind
3-mer
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3m3o
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PDBbind
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3mbp
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3-mer
3rse
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PDBbind
3-mer
3tcg
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PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
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4dj7
RCSB PDB
PDBbind
3-mer
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
3-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
4je8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human-like mitochondrial peptide deformylase (G47C, L112E mutant)
Ligand Name
3-mer
EC.Number
E.C.3.5.1.88
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=6100nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 242-252
Ligand Properties
Formula
C
1
1
H
2
2
N
3
O
5
S
Molecular Weight
308.374
Exact Mass
308.128
No. of atoms
42
No. of bonds
41
Polar Surface Area
168.67
LOGP Value
-3.03 (
Computed with XLOGP3
)
-1.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)C)[NH3+]
InChI String
InChI=1S/C11H21N3O5S/c1-6(9(16)14-8(5-15)11(18)19)13-10(17)7(12)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/p+1/t6-,7-,8-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9FV53
Entrez Gene ID
NCBI Entrez Gene ID:
838109
ASD
Information of known allosteric effects of PDB entries
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