Browse entries in the PDBbind-CN Database
HEADER 4Z46_COMPLEX COMPND 4Z46_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU HET NA A 1 1 HET NA A 2 1 HET UNN A 261 23 SSBOND 1 CYS A 64 CYS A 80 SSBOND 2 CYS A 76 CYS A 94 SSBOND 3 CYS A 30 CYS A 115 SSBOND 4 CYS A 6 CYS A 127 ATOM 1 N LYS A 1 -9.121 2.249 -17.550 1.00 21.80 N ATOM 2 CA LYS A 1 -9.544 1.350 -18.697 1.00 23.35 C ATOM 3 C LYS A 1 -11.046 1.438 -18.993 1.00 21.47 C ATOM 4 O LYS A 1 -11.870 1.442 -18.087 1.00 20.96 O ATOM 5 CB LYS A 1 -9.195 -0.084 -18.326 1.00 23.83 C ATOM 6 CG LYS A 1 -9.773 -1.143 -19.254 1.00 27.51 C ATOM 7 CD LYS A 1 -9.175 -2.489 -18.942 1.00 28.63 C ATOM 8 CE LYS A 1 -9.803 -3.506 -19.859 1.00 32.60 C ATOM 9 NZ LYS A 1 -9.328 -4.874 -19.578 1.00 35.21 N ATOM 10 HZ1 LYS A 1 -8.297 -4.915 -19.706 1.00 0.00 H ATOM 11 HZ2 LYS A 1 -9.567 -5.128 -18.598 1.00 0.00 H ATOM 12 HZ3 LYS A 1 -9.786 -5.540 -20.232 1.00 0.00 H ATOM 13 HN3 LYS A 1 -9.633 1.973 -16.688 1.00 0.00 H ATOM 14 HN2 LYS A 1 -9.343 3.237 -17.786 1.00 0.00 H ATOM 15 HN1 LYS A 1 -8.098 2.150 -17.393 1.00 0.00 H ATOM 16 N VAL A 2 -11.414 1.520 -20.249 1.00 19.94 N ATOM 17 CA VAL A 2 -12.824 1.407 -20.637 1.00 19.98 C ATOM 18 C VAL A 2 -13.080 -0.023 -21.168 1.00 23.51 C ATOM 19 O VAL A 2 -12.511 -0.468 -22.222 1.00 26.00 O ATOM 20 CB VAL A 2 -13.196 2.479 -21.692 1.00 20.08 C ATOM 21 CG1 VAL A 2 -14.635 2.337 -22.110 1.00 24.34 C ATOM 22 CG2 VAL A 2 -12.991 3.913 -21.146 1.00 21.47 C ATOM 23 H VAL A 2 -10.693 1.668 -20.984 1.00 0.00 H ATOM 24 N PHE A 3 -13.875 -0.768 -20.403 1.00 22.00 N ATOM 25 CA PHE A 3 -14.211 -2.162 -20.735 1.00 23.01 C ATOM 26 C PHE A 3 -15.262 -2.191 -21.813 1.00 21.15 C ATOM 27 O PHE A 3 -16.124 -1.290 -21.925 1.00 22.96 O ATOM 28 CB PHE A 3 -14.818 -2.886 -19.567 1.00 23.57 C ATOM 29 CG PHE A 3 -13.833 -3.442 -18.604 1.00 23.16 C ATOM 30 CD1 PHE A 3 -13.196 -2.611 -17.689 1.00 22.89 C ATOM 31 CD2 PHE A 3 -13.509 -4.780 -18.623 1.00 20.06 C ATOM 32 CE1 PHE A 3 -12.266 -3.111 -16.811 1.00 23.60 C ATOM 33 CE2 PHE A 3 -12.615 -5.292 -17.705 1.00 21.15 C ATOM 34 CZ PHE A 3 -11.995 -4.453 -16.779 1.00 23.86 C ATOM 35 H PHE A 3 -14.274 -0.349 -19.538 1.00 0.00 H ATOM 36 N GLY A 4 -15.206 -3.244 -22.628 1.00 24.10 N ATOM 37 CA GLY A 4 -16.315 -3.534 -23.500 1.00 22.49 C ATOM 38 C GLY A 4 -17.420 -4.144 -22.649 1.00 22.34 C ATOM 39 O GLY A 4 -17.169 -4.693 -21.592 1.00 21.76 O ATOM 40 H GLY A 4 -14.364 -3.854 -22.634 1.00 0.00 H ATOM 41 N ARG A 5 -18.642 -4.075 -23.117 1.00 23.69 N ATOM 42 CA ARG A 5 -19.783 -4.607 -22.344 1.00 23.29 C ATOM 43 C ARG A 5 -19.595 -6.105 -21.967 1.00 25.32 C ATOM 44 O ARG A 5 -19.651 -6.498 -20.784 1.00 22.06 O ATOM 45 CB ARG A 5 -21.055 -4.399 -23.168 1.00 24.01 C ATOM 46 CG ARG A 5 -22.304 -5.070 -22.586 1.00 25.42 C ATOM 47 CD ARG A 5 -23.522 -4.664 -23.366 1.00 24.76 C ATOM 48 NE ARG A 5 -23.506 -5.252 -24.684 1.00 27.32 N ATOM 49 CZ ARG A 5 -23.871 -6.511 -24.952 1.00 29.47 C ATOM 50 NH1 ARG A 5 -24.316 -7.338 -24.004 1.00 26.45 N ATOM 51 NH2 ARG A 5 -23.822 -6.941 -26.191 1.00 32.30 N ATOM 52 HE ARG A 5 -23.190 -4.658 -25.477 1.00 0.00 H ATOM 53 HH12 ARG A 5 -24.591 -8.311 -24.249 1.00 0.00 H ATOM 54 HH11 ARG A 5 -24.388 -7.010 -23.020 1.00 0.00 H ATOM 55 HH22 ARG A 5 -24.103 -7.917 -26.414 1.00 0.00 H ATOM 56 HH21 ARG A 5 -23.502 -6.306 -26.950 1.00 0.00 H ATOM 57 H ARG A 5 -18.811 -3.639 -24.046 1.00 0.00 H ATOM 58 N CYS A 6 -19.337 -6.950 -22.983 1.00 25.79 N ATOM 59 CA CYS A 6 -19.152 -8.371 -22.760 1.00 24.96 C ATOM 60 C CYS A 6 -17.829 -8.671 -22.049 1.00 23.42 C ATOM 61 O CYS A 6 -17.725 -9.630 -21.301 1.00 22.09 O ATOM 62 CB CYS A 6 -19.297 -9.192 -24.082 1.00 26.23 C ATOM 63 SG CYS A 6 -20.943 -9.110 -24.778 1.00 26.26 S ATOM 64 H CYS A 6 -19.269 -6.575 -23.951 1.00 0.00 H ATOM 65 N GLU A 7 -16.823 -7.814 -22.251 1.00 23.76 N ATOM 66 CA GLU A 7 -15.559 -7.935 -21.564 1.00 20.34 C ATOM 67 C GLU A 7 -15.731 -7.777 -20.022 1.00 19.73 C ATOM 68 O GLU A 7 -15.249 -8.615 -19.203 1.00 18.71 O ATOM 69 CB GLU A 7 -14.562 -6.900 -22.083 1.00 19.62 C ATOM 70 CG GLU A 7 -13.168 -7.094 -21.493 1.00 20.04 C ATOM 71 CD GLU A 7 -12.227 -5.960 -21.814 1.00 23.76 C ATOM 72 OE1 GLU A 7 -12.680 -4.912 -22.366 1.00 24.58 O ATOM 73 OE2 GLU A 7 -11.028 -6.131 -21.488 1.00 28.45 O ATOM 74 H GLU A 7 -16.955 -7.034 -22.926 1.00 0.00 H ATOM 75 N LEU A 8 -16.480 -6.740 -19.659 1.00 18.27 N ATOM 76 CA LEU A 8 -16.759 -6.536 -18.267 1.00 19.76 C ATOM 77 C LEU A 8 -17.635 -7.658 -17.714 1.00 17.49 C ATOM 78 O LEU A 8 -17.432 -8.083 -16.602 1.00 18.19 O ATOM 79 CB LEU A 8 -17.452 -5.165 -18.075 1.00 18.43 C ATOM 80 CG LEU A 8 -17.597 -4.713 -16.628 1.00 19.35 C ATOM 81 CD1 LEU A 8 -16.292 -4.642 -15.879 1.00 19.59 C ATOM 82 CD2 LEU A 8 -18.424 -3.411 -16.567 1.00 23.61 C ATOM 83 H LEU A 8 -16.858 -6.086 -20.374 1.00 0.00 H ATOM 84 N ALA A 9 -18.646 -8.086 -18.462 1.00 19.57 N ATOM 85 CA ALA A 9 -19.495 -9.203 -18.015 1.00 19.11 C ATOM 86 C ALA A 9 -18.629 -10.379 -17.644 1.00 18.90 C ATOM 87 O ALA A 9 -18.781 -10.965 -16.600 1.00 18.64 O ATOM 88 CB ALA A 9 -20.431 -9.573 -19.112 1.00 20.18 C ATOM 89 H ALA A 9 -18.840 -7.626 -19.375 1.00 0.00 H ATOM 90 N ALA A 10 -17.728 -10.737 -18.548 1.00 21.67 N ATOM 91 CA ALA A 10 -16.825 -11.861 -18.304 1.00 20.45 C ATOM 92 C ALA A 10 -15.961 -11.656 -17.120 1.00 19.97 C ATOM 93 O ALA A 10 -15.843 -12.568 -16.230 1.00 21.29 O ATOM 94 CB ALA A 10 -16.020 -12.149 -19.566 1.00 23.12 C ATOM 95 H ALA A 10 -17.662 -10.211 -19.443 1.00 0.00 H ATOM 96 N ALA A 11 -15.366 -10.453 -16.964 1.00 20.61 N ATOM 97 CA ALA A 11 -14.502 -10.216 -15.756 1.00 19.28 C ATOM 98 C ALA A 11 -15.301 -10.300 -14.486 1.00 19.66 C ATOM 99 O ALA A 11 -14.897 -10.883 -13.506 1.00 21.11 O ATOM 100 CB ALA A 11 -13.782 -8.881 -15.844 1.00 20.12 C ATOM 101 H ALA A 11 -15.504 -9.701 -17.669 1.00 0.00 H ATOM 102 N MET A 12 -16.492 -9.712 -14.491 1.00 21.09 N ATOM 103 CA MET A 12 -17.377 -9.774 -13.338 1.00 21.47 C ATOM 104 C MET A 12 -17.785 -11.206 -12.984 1.00 21.64 C ATOM 105 O MET A 12 -17.795 -11.552 -11.802 1.00 22.65 O ATOM 106 CB MET A 12 -18.616 -8.895 -13.609 1.00 20.25 C ATOM 107 CG MET A 12 -18.292 -7.424 -13.542 1.00 20.91 C ATOM 108 SD MET A 12 -19.831 -6.497 -13.783 1.00 22.30 S ATOM 109 CE MET A 12 -19.475 -5.036 -12.852 1.00 22.82 C ATOM 110 H MET A 12 -16.799 -9.195 -15.339 1.00 0.00 H ATOM 111 N LYS A 13 -18.072 -12.021 -13.999 1.00 23.86 N ATOM 112 CA LYS A 13 -18.473 -13.428 -13.794 1.00 24.33 C ATOM 113 C LYS A 13 -17.299 -14.262 -13.243 1.00 25.93 C ATOM 114 O LYS A 13 -17.472 -15.085 -12.311 1.00 25.12 O ATOM 115 CB LYS A 13 -18.988 -14.013 -15.117 1.00 25.98 C ATOM 116 CG LYS A 13 -19.728 -15.345 -14.982 1.00 27.16 C ATOM 117 CD LYS A 13 -20.472 -15.727 -16.260 1.00 27.92 C ATOM 118 CE LYS A 13 -21.137 -17.094 -16.080 1.00 28.04 C ATOM 119 NZ LYS A 13 -21.437 -17.809 -17.349 1.00 28.88 N ATOM 120 HZ1 LYS A 13 -22.083 -17.233 -17.926 1.00 0.00 H ATOM 121 HZ2 LYS A 13 -20.553 -17.970 -17.872 1.00 0.00 H ATOM 122 HZ3 LYS A 13 -21.885 -18.723 -17.133 1.00 0.00 H ATOM 123 H LYS A 13 -18.011 -11.653 -14.970 1.00 0.00 H ATOM 124 N ARG A 14 -16.097 -14.034 -13.794 1.00 23.20 N ATOM 125 CA ARG A 14 -14.893 -14.695 -13.294 1.00 24.12 C ATOM 126 C ARG A 14 -14.588 -14.366 -11.822 1.00 24.72 C ATOM 127 O ARG A 14 -14.094 -15.217 -11.094 1.00 25.07 O ATOM 128 CB ARG A 14 -13.671 -14.389 -14.175 1.00 24.77 C ATOM 129 CG ARG A 14 -12.349 -14.391 -13.423 1.00 26.54 C ATOM 130 CD ARG A 14 -11.202 -14.445 -14.390 1.00 28.49 C ATOM 131 NE ARG A 14 -11.239 -13.281 -15.253 1.00 26.71 N ATOM 132 CZ ARG A 14 -10.706 -12.094 -14.970 1.00 28.71 C ATOM 133 NH1 ARG A 14 -10.039 -11.893 -13.836 1.00 30.57 N ATOM 134 NH2 ARG A 14 -10.826 -11.106 -15.858 1.00 28.27 N ATOM 135 HE ARG A 14 -11.722 -13.381 -16.169 1.00 0.00 H ATOM 136 HH12 ARG A 14 -9.630 -10.959 -13.632 1.00 0.00 H ATOM 137 HH11 ARG A 14 -9.927 -12.670 -13.154 1.00 0.00 H ATOM 138 HH22 ARG A 14 -10.416 -10.172 -15.655 1.00 0.00 H ATOM 139 HH21 ARG A 14 -11.329 -11.270 -16.753 1.00 0.00 H ATOM 140 H ARG A 14 -16.020 -13.373 -14.593 1.00 0.00 H ATOM 141 N HIS A 15 -14.904 -13.128 -11.400 1.00 24.21 N ATOM 142 CA HIS A 15 -14.728 -12.636 -10.036 1.00 23.42 C ATOM 143 C HIS A 15 -15.910 -12.949 -9.105 1.00 25.48 C ATOM 144 O HIS A 15 -15.909 -12.529 -7.927 1.00 28.44 O ATOM 145 CB HIS A 15 -14.515 -11.124 -10.043 1.00 24.83 C ATOM 146 CG HIS A 15 -13.114 -10.710 -10.363 1.00 25.66 C ATOM 147 ND1 HIS A 15 -12.114 -10.696 -9.415 1.00 34.31 N ATOM 148 CD2 HIS A 15 -12.539 -10.334 -11.528 1.00 28.13 C ATOM 149 CE1 HIS A 15 -10.993 -10.292 -9.985 1.00 29.46 C ATOM 150 NE2 HIS A 15 -11.222 -10.084 -11.261 1.00 28.75 N ATOM 151 H HIS A 15 -15.305 -12.471 -12.099 1.00 0.00 H ATOM 152 N GLY A 16 -16.896 -13.708 -9.606 1.00 24.19 N ATOM 153 CA GLY A 16 -17.926 -14.290 -8.739 1.00 28.54 C ATOM 154 C GLY A 16 -19.167 -13.434 -8.484 1.00 27.35 C ATOM 155 O GLY A 16 -19.940 -13.728 -7.548 1.00 24.23 O ATOM 156 H GLY A 16 -16.931 -13.887 -10.630 1.00 0.00 H ATOM 157 N LEU A 17 -19.394 -12.425 -9.336 1.00 24.10 N ATOM 158 CA LEU A 17 -20.594 -11.593 -9.167 1.00 24.46 C ATOM 159 C LEU A 17 -21.898 -12.149 -9.777 1.00 25.58 C ATOM 160 O LEU A 17 -22.965 -11.700 -9.359 1.00 26.06 O ATOM 161 CB LEU A 17 -20.343 -10.165 -9.681 1.00 25.18 C ATOM 162 CG LEU A 17 -19.396 -9.303 -8.872 1.00 24.28 C ATOM 163 CD1 LEU A 17 -19.371 -7.956 -9.608 1.00 24.53 C ATOM 164 CD2 LEU A 17 -19.829 -9.076 -7.416 1.00 25.46 C ATOM 165 H LEU A 17 -18.727 -12.232 -10.110 1.00 0.00 H ATOM 166 N ASP A 18 -21.840 -13.094 -10.726 1.00 22.07 N ATOM 167 CA ASP A 18 -23.025 -13.692 -11.281 1.00 27.28 C ATOM 168 C ASP A 18 -23.821 -14.404 -10.167 1.00 27.07 C ATOM 169 O ASP A 18 -23.356 -15.358 -9.582 1.00 24.87 O ATOM 170 CB ASP A 18 -22.723 -14.667 -12.421 1.00 28.33 C ATOM 171 CG ASP A 18 -24.007 -15.072 -13.256 1.00 33.22 C ATOM 172 OD1 ASP A 18 -25.121 -14.405 -13.253 1.00 26.87 O ATOM 173 OD2 ASP A 18 -23.865 -16.090 -13.998 1.00 38.72 O ATOM 174 H ASP A 18 -20.910 -13.404 -11.072 1.00 0.00 H ATOM 175 N ASN A 19 -25.004 -13.866 -9.875 1.00 23.43 N ATOM 176 CA ASN A 19 -25.834 -14.293 -8.756 1.00 26.67 C ATOM 177 C ASN A 19 -25.326 -14.193 -7.355 1.00 23.67 C ATOM 178 O ASN A 19 -25.857 -14.840 -6.416 1.00 24.10 O ATOM 179 CB ASN A 19 -26.377 -15.682 -9.050 1.00 31.47 C ATOM 180 CG ASN A 19 -27.566 -15.584 -9.930 1.00 39.04 C ATOM 181 OD1 ASN A 19 -28.518 -14.861 -9.572 1.00 38.89 O ATOM 182 ND2 ASN A 19 -27.493 -16.183 -11.149 1.00 44.13 N ATOM 183 HD22 ASN A 19 -26.672 -16.775 -11.389 1.00 0.00 H ATOM 184 HD21 ASN A 19 -28.258 -16.049 -11.841 1.00 0.00 H ATOM 185 H ASN A 19 -25.356 -13.097 -10.480 1.00 0.00 H ATOM 186 N TYR A 20 -24.359 -13.304 -7.160 1.00 21.33 N ATOM 187 CA TYR A 20 -23.874 -13.011 -5.879 1.00 19.57 C ATOM 188 C TYR A 20 -25.021 -12.321 -5.106 1.00 22.67 C ATOM 189 O TYR A 20 -25.515 -11.270 -5.526 1.00 19.75 O ATOM 190 CB TYR A 20 -22.618 -12.133 -5.954 1.00 20.99 C ATOM 191 CG TYR A 20 -21.938 -11.984 -4.594 1.00 21.35 C ATOM 192 CD1 TYR A 20 -20.996 -12.933 -4.177 1.00 24.91 C ATOM 193 CD2 TYR A 20 -22.263 -10.966 -3.719 1.00 20.76 C ATOM 194 CE1 TYR A 20 -20.415 -12.874 -2.926 1.00 23.58 C ATOM 195 CE2 TYR A 20 -21.703 -10.902 -2.466 1.00 22.64 C ATOM 196 CZ TYR A 20 -20.759 -11.834 -2.102 1.00 25.09 C ATOM 197 OH TYR A 20 -20.198 -11.755 -0.890 1.00 26.49 O ATOM 198 HH TYR A 20 -19.545 -12.491 -0.781 1.00 0.00 H ATOM 199 H TYR A 20 -23.951 -12.812 -7.980 1.00 0.00 H ATOM 200 N ARG A 21 -25.415 -12.897 -3.963 1.00 27.01 N ATOM 201 CA ARG A 21 -26.619 -12.446 -3.164 1.00 28.49 C ATOM 202 C ARG A 21 -27.863 -12.354 -4.005 1.00 26.04 C ATOM 203 O ARG A 21 -28.781 -11.578 -3.689 1.00 24.52 O ATOM 204 CB ARG A 21 -26.399 -11.124 -2.422 1.00 31.55 C ATOM 205 CG ARG A 21 -25.246 -11.128 -1.431 1.00 39.43 C ATOM 206 CD ARG A 21 -25.265 -12.244 -0.403 1.00 44.39 C ATOM 207 NE ARG A 21 -24.080 -12.157 0.482 1.00 55.17 N ATOM 208 CZ ARG A 21 -23.104 -13.076 0.616 1.00 57.63 C ATOM 209 NH1 ARG A 21 -23.105 -14.219 -0.077 1.00 66.93 N ATOM 210 NH2 ARG A 21 -22.087 -12.837 1.452 1.00 55.70 N ATOM 211 HE ARG A 21 -23.992 -11.297 1.060 1.00 0.00 H ATOM 212 HH12 ARG A 21 -22.335 -14.906 0.052 1.00 0.00 H ATOM 213 HH11 ARG A 21 -23.876 -14.421 -0.745 1.00 0.00 H ATOM 214 HH22 ARG A 21 -21.329 -13.540 1.563 1.00 0.00 H ATOM 215 HH21 ARG A 21 -22.055 -11.948 1.991 1.00 0.00 H ATOM 216 H ARG A 21 -24.862 -13.701 -3.603 1.00 0.00 H ATOM 217 N GLY A 22 -27.894 -13.204 -5.034 1.00 22.96 N ATOM 218 CA GLY A 22 -28.985 -13.343 -6.000 1.00 22.62 C ATOM 219 C GLY A 22 -29.135 -12.355 -7.113 1.00 21.03 C ATOM 220 O GLY A 22 -30.157 -12.319 -7.764 1.00 19.48 O ATOM 221 H GLY A 22 -27.068 -13.823 -5.161 1.00 0.00 H ATOM 222 N TYR A 23 -28.120 -11.532 -7.312 1.00 18.74 N ATOM 223 CA TYR A 23 -28.172 -10.534 -8.361 1.00 19.65 C ATOM 224 C TYR A 23 -27.457 -11.123 -9.531 1.00 21.02 C ATOM 225 O TYR A 23 -26.252 -11.285 -9.487 1.00 18.66 O ATOM 226 CB TYR A 23 -27.461 -9.266 -7.833 1.00 18.33 C ATOM 227 CG TYR A 23 -28.265 -8.564 -6.760 1.00 16.85 C ATOM 228 CD1 TYR A 23 -29.308 -7.714 -7.097 1.00 17.84 C ATOM 229 CD2 TYR A 23 -28.016 -8.781 -5.418 1.00 19.27 C ATOM 230 CE1 TYR A 23 -30.066 -7.071 -6.140 1.00 15.87 C ATOM 231 CE2 TYR A 23 -28.776 -8.145 -4.427 1.00 17.87 C ATOM 232 CZ TYR A 23 -29.820 -7.302 -4.797 1.00 17.08 C ATOM 233 OH TYR A 23 -30.571 -6.625 -3.865 1.00 17.38 O ATOM 234 HH TYR A 23 -31.258 -6.083 -4.327 1.00 0.00 H ATOM 235 H TYR A 23 -27.275 -11.602 -6.709 1.00 0.00 H ATOM 236 N SER A 24 -28.222 -11.492 -10.539 1.00 19.84 N ATOM 237 CA SER A 24 -27.717 -11.996 -11.815 1.00 21.85 C ATOM 238 C SER A 24 -26.758 -11.014 -12.443 1.00 20.87 C ATOM 239 O SER A 24 -26.789 -9.790 -12.156 1.00 19.11 O ATOM 240 CB SER A 24 -28.857 -12.261 -12.805 1.00 23.81 C ATOM 241 OG SER A 24 -29.520 -11.037 -13.195 1.00 24.59 O ATOM 242 HG SER A 24 -30.248 -11.246 -13.833 1.00 0.00 H ATOM 243 H SER A 24 -29.252 -11.420 -10.419 1.00 0.00 H ATOM 244 N LEU A 25 -25.855 -11.561 -13.253 1.00 18.86 N ATOM 245 CA LEU A 25 -24.773 -10.766 -13.865 1.00 19.94 C ATOM 246 C LEU A 25 -25.227 -9.492 -14.578 1.00 20.43 C ATOM 247 O LEU A 25 -24.583 -8.434 -14.485 1.00 18.14 O ATOM 248 CB LEU A 25 -24.000 -11.701 -14.825 1.00 20.63 C ATOM 249 CG LEU A 25 -22.713 -11.144 -15.473 1.00 20.73 C ATOM 250 CD1 LEU A 25 -21.729 -10.738 -14.395 1.00 22.60 C ATOM 251 CD2 LEU A 25 -22.041 -12.201 -16.349 1.00 22.52 C ATOM 252 H LEU A 25 -25.914 -12.578 -13.461 1.00 0.00 H ATOM 253 N GLY A 26 -26.346 -9.584 -15.306 1.00 18.42 N ATOM 254 CA GLY A 26 -26.893 -8.438 -15.980 1.00 19.42 C ATOM 255 C GLY A 26 -27.198 -7.273 -15.042 1.00 18.03 C ATOM 256 O GLY A 26 -27.066 -6.135 -15.466 1.00 17.60 O ATOM 257 H GLY A 26 -26.829 -10.502 -15.386 1.00 0.00 H ATOM 258 N ASN A 27 -27.593 -7.513 -13.785 1.00 18.59 N ATOM 259 CA ASN A 27 -27.683 -6.442 -12.781 1.00 17.81 C ATOM 260 C ASN A 27 -26.382 -5.655 -12.589 1.00 19.12 C ATOM 261 O ASN A 27 -26.372 -4.432 -12.510 1.00 16.56 O ATOM 262 CB ASN A 27 -28.130 -6.968 -11.427 1.00 19.99 C ATOM 263 CG ASN A 27 -29.605 -7.284 -11.436 1.00 21.53 C ATOM 264 OD1 ASN A 27 -30.425 -6.369 -11.471 1.00 18.26 O ATOM 265 ND2 ASN A 27 -29.935 -8.562 -11.517 1.00 21.57 N ATOM 266 HD22 ASN A 27 -29.196 -9.293 -11.482 1.00 0.00 H ATOM 267 HD21 ASN A 27 -30.933 -8.836 -11.616 1.00 0.00 H ATOM 268 H ASN A 27 -27.843 -8.485 -13.511 1.00 0.00 H ATOM 269 N TRP A 28 -25.283 -6.380 -12.543 1.00 17.25 N ATOM 270 CA TRP A 28 -23.989 -5.783 -12.286 1.00 18.02 C ATOM 271 C TRP A 28 -23.505 -5.001 -13.481 1.00 18.20 C ATOM 272 O TRP A 28 -22.933 -3.895 -13.339 1.00 17.75 O ATOM 273 CB TRP A 28 -22.964 -6.850 -11.827 1.00 17.82 C ATOM 274 CG TRP A 28 -23.301 -7.527 -10.575 1.00 18.26 C ATOM 275 CD1 TRP A 28 -23.876 -8.760 -10.418 1.00 18.41 C ATOM 276 CD2 TRP A 28 -23.195 -6.977 -9.265 1.00 17.68 C ATOM 277 NE1 TRP A 28 -24.117 -9.001 -9.096 1.00 16.55 N ATOM 278 CE2 TRP A 28 -23.671 -7.950 -8.360 1.00 17.06 C ATOM 279 CE3 TRP A 28 -22.723 -5.757 -8.760 1.00 16.88 C ATOM 280 CZ2 TRP A 28 -23.671 -7.751 -6.978 1.00 17.06 C ATOM 281 CZ3 TRP A 28 -22.728 -5.579 -7.398 1.00 17.61 C ATOM 282 CH2 TRP A 28 -23.220 -6.574 -6.525 1.00 17.90 C ATOM 283 HE1 TRP A 28 -24.571 -9.855 -8.713 1.00 0.00 H ATOM 284 H TRP A 28 -25.346 -7.407 -12.695 1.00 0.00 H ATOM 285 N VAL A 29 -23.708 -5.542 -14.667 1.00 18.85 N ATOM 286 CA VAL A 29 -23.326 -4.886 -15.887 1.00 18.81 C ATOM 287 C VAL A 29 -24.151 -3.593 -16.123 1.00 18.18 C ATOM 288 O VAL A 29 -23.604 -2.520 -16.400 1.00 17.46 O ATOM 289 CB VAL A 29 -23.430 -5.875 -17.102 1.00 17.53 C ATOM 290 CG1 VAL A 29 -23.218 -5.130 -18.398 1.00 18.19 C ATOM 291 CG2 VAL A 29 -22.412 -6.986 -16.903 1.00 17.58 C ATOM 292 H VAL A 29 -24.161 -6.477 -14.721 1.00 0.00 H ATOM 293 N CYS A 30 -25.444 -3.708 -15.903 1.00 17.56 N ATOM 294 CA CYS A 30 -26.364 -2.573 -15.934 1.00 17.31 C ATOM 295 C CYS A 30 -25.891 -1.478 -14.964 1.00 18.79 C ATOM 296 O CYS A 30 -25.797 -0.313 -15.377 1.00 18.40 O ATOM 297 CB CYS A 30 -27.762 -3.027 -15.621 1.00 18.14 C ATOM 298 SG CYS A 30 -28.972 -1.698 -15.799 1.00 18.93 S ATOM 299 H CYS A 30 -25.829 -4.652 -15.697 1.00 0.00 H ATOM 300 N ALA A 31 -25.589 -1.855 -13.721 1.00 17.62 N ATOM 301 CA ALA A 31 -25.113 -0.890 -12.744 1.00 18.67 C ATOM 302 C ALA A 31 -23.841 -0.189 -13.228 1.00 16.92 C ATOM 303 O ALA A 31 -23.729 1.028 -13.150 1.00 16.56 O ATOM 304 CB ALA A 31 -24.892 -1.547 -11.415 1.00 17.33 C ATOM 305 H ALA A 31 -25.695 -2.853 -13.447 1.00 0.00 H ATOM 306 N ALA A 32 -22.896 -0.960 -13.733 1.00 16.26 N ATOM 307 CA ALA A 32 -21.609 -0.410 -14.193 1.00 17.24 C ATOM 308 C ALA A 32 -21.765 0.521 -15.386 1.00 17.77 C ATOM 309 O ALA A 32 -21.143 1.587 -15.423 1.00 17.97 O ATOM 310 CB ALA A 32 -20.568 -1.509 -14.444 1.00 16.64 C ATOM 311 H ALA A 32 -23.065 -1.983 -13.808 1.00 0.00 H ATOM 312 N LYS A 33 -22.697 0.188 -16.279 1.00 15.97 N ATOM 313 CA LYS A 33 -23.029 1.023 -17.402 1.00 19.60 C ATOM 314 C LYS A 33 -23.442 2.397 -16.969 1.00 18.86 C ATOM 315 O LYS A 33 -22.856 3.403 -17.410 1.00 17.41 O ATOM 316 CB LYS A 33 -24.168 0.417 -18.224 1.00 21.77 C ATOM 317 CG LYS A 33 -24.608 1.411 -19.304 1.00 23.52 C ATOM 318 CD LYS A 33 -23.610 1.569 -20.424 1.00 24.88 C ATOM 319 CE LYS A 33 -24.061 2.575 -21.488 1.00 27.31 C ATOM 320 NZ LYS A 33 -22.961 2.822 -22.467 1.00 29.74 N ATOM 321 HZ1 LYS A 33 -22.133 3.204 -21.967 1.00 0.00 H ATOM 322 HZ2 LYS A 33 -22.705 1.928 -22.932 1.00 0.00 H ATOM 323 HZ3 LYS A 33 -23.282 3.506 -23.182 1.00 0.00 H ATOM 324 H LYS A 33 -23.204 -0.712 -16.159 1.00 0.00 H ATOM 325 N PHE A 34 -24.409 2.453 -16.023 1.00 17.71 N ATOM 326 CA PHE A 34 -24.972 3.744 -15.664 1.00 19.37 C ATOM 327 C PHE A 34 -24.194 4.472 -14.576 1.00 19.85 C ATOM 328 O PHE A 34 -24.367 5.660 -14.395 1.00 22.03 O ATOM 329 CB PHE A 34 -26.448 3.599 -15.344 1.00 19.36 C ATOM 330 CG PHE A 34 -27.236 3.160 -16.527 1.00 19.87 C ATOM 331 CD1 PHE A 34 -27.210 3.886 -17.708 1.00 20.67 C ATOM 332 CD2 PHE A 34 -27.936 2.006 -16.500 1.00 21.98 C ATOM 333 CE1 PHE A 34 -27.876 3.464 -18.834 1.00 22.19 C ATOM 334 CE2 PHE A 34 -28.655 1.592 -17.622 1.00 23.12 C ATOM 335 CZ PHE A 34 -28.614 2.296 -18.782 1.00 22.71 C ATOM 336 H PHE A 34 -24.744 1.584 -15.560 1.00 0.00 H ATOM 337 N GLU A 35 -23.334 3.775 -13.844 1.00 16.15 N ATOM 338 CA GLU A 35 -22.491 4.411 -12.863 1.00 17.79 C ATOM 339 C GLU A 35 -21.269 5.041 -13.510 1.00 19.52 C ATOM 340 O GLU A 35 -20.892 6.171 -13.168 1.00 19.65 O ATOM 341 CB GLU A 35 -22.064 3.373 -11.832 1.00 17.57 C ATOM 342 CG GLU A 35 -23.186 2.880 -10.923 1.00 19.15 C ATOM 343 CD GLU A 35 -23.697 3.902 -9.921 1.00 18.84 C ATOM 344 OE1 GLU A 35 -23.322 5.089 -9.986 1.00 21.09 O ATOM 345 OE2 GLU A 35 -24.562 3.549 -9.126 1.00 19.75 O ATOM 346 H GLU A 35 -23.267 2.746 -13.981 1.00 0.00 H ATOM 347 N SER A 36 -20.637 4.316 -14.429 1.00 20.52 N ATOM 348 CA SER A 36 -19.281 4.699 -14.993 1.00 18.79 C ATOM 349 C SER A 36 -19.111 4.652 -16.492 1.00 19.33 C ATOM 350 O SER A 36 -18.004 4.922 -16.979 1.00 19.32 O ATOM 351 CB SER A 36 -18.253 3.733 -14.461 1.00 19.50 C ATOM 352 OG SER A 36 -18.450 2.415 -14.975 1.00 17.38 O ATOM 353 HG SER A 36 -19.348 2.091 -14.713 1.00 0.00 H ATOM 354 H SER A 36 -21.092 3.448 -14.777 1.00 0.00 H ATOM 355 N ASN A 37 -20.131 4.164 -17.214 1.00 19.46 N ATOM 356 CA ASN A 37 -20.035 3.829 -18.630 1.00 19.00 C ATOM 357 C ASN A 37 -18.906 2.850 -18.877 1.00 19.76 C ATOM 358 O ASN A 37 -18.196 2.954 -19.882 1.00 20.12 O ATOM 359 CB ASN A 37 -19.960 5.106 -19.464 1.00 24.44 C ATOM 360 CG ASN A 37 -20.567 4.965 -20.837 1.00 29.94 C ATOM 361 OD1 ASN A 37 -21.243 4.005 -21.146 1.00 31.39 O ATOM 362 ND2 ASN A 37 -20.299 5.963 -21.700 1.00 32.04 N ATOM 363 HD22 ASN A 37 -19.716 6.769 -21.398 1.00 0.00 H ATOM 364 HD21 ASN A 37 -20.675 5.928 -22.669 1.00 0.00 H ATOM 365 H ASN A 37 -21.043 4.016 -16.736 1.00 0.00 H ATOM 366 N PHE A 38 -18.678 1.949 -17.901 1.00 17.52 N ATOM 367 CA PHE A 38 -17.662 0.906 -17.984 1.00 18.21 C ATOM 368 C PHE A 38 -16.221 1.461 -17.910 1.00 17.91 C ATOM 369 O PHE A 38 -15.257 0.748 -18.221 1.00 19.05 O ATOM 370 CB PHE A 38 -17.815 0.063 -19.272 1.00 20.18 C ATOM 371 CG PHE A 38 -19.170 -0.528 -19.487 1.00 20.21 C ATOM 372 CD1 PHE A 38 -19.908 -1.096 -18.430 1.00 19.76 C ATOM 373 CD2 PHE A 38 -19.690 -0.625 -20.790 1.00 23.41 C ATOM 374 CE1 PHE A 38 -21.167 -1.684 -18.660 1.00 20.19 C ATOM 375 CE2 PHE A 38 -20.925 -1.269 -21.017 1.00 22.32 C ATOM 376 CZ PHE A 38 -21.656 -1.783 -19.936 1.00 22.55 C ATOM 377 H PHE A 38 -19.259 2.000 -17.040 1.00 0.00 H ATOM 378 N ASN A 39 -16.079 2.662 -17.374 1.00 17.54 N ATOM 379 CA ASN A 39 -14.782 3.300 -17.265 1.00 18.90 C ATOM 380 C ASN A 39 -14.244 3.174 -15.861 1.00 18.59 C ATOM 381 O ASN A 39 -14.793 3.788 -14.912 1.00 19.75 O ATOM 382 CB ASN A 39 -14.927 4.756 -17.670 1.00 18.13 C ATOM 383 CG ASN A 39 -13.586 5.523 -17.685 1.00 17.83 C ATOM 384 OD1 ASN A 39 -12.529 4.972 -17.552 1.00 18.33 O ATOM 385 ND2 ASN A 39 -13.681 6.794 -17.822 1.00 19.24 N ATOM 386 HD22 ASN A 39 -14.615 7.236 -17.935 1.00 0.00 H ATOM 387 HD21 ASN A 39 -12.824 7.383 -17.820 1.00 0.00 H ATOM 388 H ASN A 39 -16.920 3.162 -17.021 1.00 0.00 H ATOM 389 N THR A 40 -13.152 2.406 -15.698 1.00 17.28 N ATOM 390 CA THR A 40 -12.507 2.277 -14.401 1.00 16.67 C ATOM 391 C THR A 40 -12.016 3.577 -13.786 1.00 16.11 C ATOM 392 O THR A 40 -11.954 3.652 -12.591 1.00 17.03 O ATOM 393 CB THR A 40 -11.291 1.299 -14.360 1.00 18.25 C ATOM 394 OG1 THR A 40 -10.214 1.819 -15.118 1.00 18.40 O ATOM 395 CG2 THR A 40 -11.664 -0.047 -14.901 1.00 18.62 C ATOM 396 HG1 THR A 40 -10.501 1.939 -16.058 1.00 0.00 H ATOM 397 H THR A 40 -12.761 1.895 -16.515 1.00 0.00 H ATOM 398 N GLN A 41 -11.711 4.592 -14.586 1.00 17.56 N ATOM 399 CA GLN A 41 -11.200 5.891 -14.054 1.00 18.26 C ATOM 400 C GLN A 41 -12.274 6.907 -13.644 1.00 17.93 C ATOM 401 O GLN A 41 -11.930 7.983 -13.204 1.00 21.64 O ATOM 402 CB GLN A 41 -10.319 6.563 -15.063 1.00 18.87 C ATOM 403 CG GLN A 41 -9.085 5.719 -15.402 1.00 20.84 C ATOM 404 CD GLN A 41 -8.038 6.556 -16.135 1.00 22.86 C ATOM 405 OE1 GLN A 41 -7.463 7.483 -15.557 1.00 23.17 O ATOM 406 NE2 GLN A 41 -7.851 6.278 -17.423 1.00 23.04 N ATOM 407 HE22 GLN A 41 -8.360 5.485 -17.863 1.00 0.00 H ATOM 408 HE21 GLN A 41 -7.196 6.854 -17.989 1.00 0.00 H ATOM 409 H GLN A 41 -11.831 4.479 -15.613 1.00 0.00 H ATOM 410 N ALA A 42 -13.542 6.556 -13.781 1.00 16.31 N ATOM 411 CA ALA A 42 -14.624 7.481 -13.448 1.00 18.43 C ATOM 412 C ALA A 42 -14.631 7.922 -11.963 1.00 18.12 C ATOM 413 O ALA A 42 -14.558 7.084 -11.063 1.00 19.29 O ATOM 414 CB ALA A 42 -15.956 6.827 -13.801 1.00 20.42 C ATOM 415 H ALA A 42 -13.773 5.605 -14.132 1.00 0.00 H ATOM 416 N THR A 43 -14.767 9.238 -11.718 1.00 16.88 N ATOM 417 CA THR A 43 -14.834 9.811 -10.438 1.00 17.31 C ATOM 418 C THR A 43 -15.938 10.850 -10.472 1.00 19.80 C ATOM 419 O THR A 43 -16.079 11.647 -11.424 1.00 22.26 O ATOM 420 CB THR A 43 -13.510 10.459 -9.948 1.00 18.45 C ATOM 421 OG1 THR A 43 -13.162 11.544 -10.838 1.00 18.76 O ATOM 422 CG2 THR A 43 -12.420 9.478 -9.867 1.00 17.19 C ATOM 423 HG1 THR A 43 -13.043 11.192 -11.755 1.00 0.00 H ATOM 424 H THR A 43 -14.827 9.877 -12.536 1.00 0.00 H ATOM 425 N ASN A 44 -16.731 10.914 -9.409 1.00 18.76 N ATOM 426 CA ASN A 44 -17.769 11.940 -9.337 1.00 19.72 C ATOM 427 C ASN A 44 -17.985 12.361 -7.883 1.00 20.33 C ATOM 428 O ASN A 44 -18.067 11.537 -6.985 1.00 18.06 O ATOM 429 CB ASN A 44 -19.119 11.448 -9.926 1.00 19.31 C ATOM 430 CG ASN A 44 -19.066 11.239 -11.412 1.00 20.52 C ATOM 431 OD1 ASN A 44 -19.092 12.209 -12.204 1.00 22.41 O ATOM 432 ND2 ASN A 44 -18.983 9.966 -11.815 1.00 20.75 N ATOM 433 HD22 ASN A 44 -18.965 9.199 -11.113 1.00 0.00 H ATOM 434 HD21 ASN A 44 -18.937 9.744 -12.830 1.00 0.00 H ATOM 435 H ASN A 44 -16.614 10.236 -8.630 1.00 0.00 H ATOM 436 N ARG A 45 -18.127 13.659 -7.682 1.00 22.06 N ATOM 437 CA ARG A 45 -18.309 14.217 -6.351 1.00 24.09 C ATOM 438 C ARG A 45 -19.749 14.127 -5.916 1.00 23.79 C ATOM 439 O ARG A 45 -20.641 14.470 -6.678 1.00 26.78 O ATOM 440 CB ARG A 45 -17.909 15.702 -6.328 1.00 24.14 C ATOM 441 CG ARG A 45 -17.718 16.233 -4.906 1.00 27.50 C ATOM 442 CD ARG A 45 -16.362 15.768 -4.522 1.00 30.48 C ATOM 443 NE ARG A 45 -15.859 16.115 -3.211 1.00 37.38 N ATOM 444 CZ ARG A 45 -14.930 17.045 -2.957 1.00 35.10 C ATOM 445 NH1 ARG A 45 -14.416 17.814 -3.950 1.00 35.22 N ATOM 446 NH2 ARG A 45 -14.495 17.185 -1.698 1.00 31.23 N ATOM 447 HE ARG A 45 -16.252 15.599 -2.398 1.00 0.00 H ATOM 448 HH12 ARG A 45 -13.695 18.531 -3.732 1.00 0.00 H ATOM 449 HH11 ARG A 45 -14.743 17.686 -4.929 1.00 0.00 H ATOM 450 HH22 ARG A 45 -13.774 17.900 -1.473 1.00 0.00 H ATOM 451 HH21 ARG A 45 -14.878 16.579 -0.945 1.00 0.00 H ATOM 452 H ARG A 45 -18.108 14.301 -8.500 1.00 0.00 H ATOM 453 N ASN A 46 -19.956 13.783 -4.651 1.00 24.25 N ATOM 454 CA ASN A 46 -21.322 13.753 -4.084 1.00 25.55 C ATOM 455 C ASN A 46 -21.613 15.085 -3.404 1.00 24.25 C ATOM 456 O ASN A 46 -20.681 15.817 -3.024 1.00 23.72 O ATOM 457 CB ASN A 46 -21.418 12.588 -3.084 1.00 24.08 C ATOM 458 CG ASN A 46 -21.199 11.260 -3.770 1.00 23.89 C ATOM 459 OD1 ASN A 46 -21.737 11.091 -4.865 1.00 24.24 O ATOM 460 ND2 ASN A 46 -20.430 10.317 -3.156 1.00 21.05 N ATOM 461 HD22 ASN A 46 -20.001 10.518 -2.230 1.00 0.00 H ATOM 462 HD21 ASN A 46 -20.272 9.396 -3.613 1.00 0.00 H ATOM 463 H ASN A 46 -19.146 13.531 -4.049 1.00 0.00 H ATOM 464 N THR A 47 -22.881 15.383 -3.214 1.00 28.67 N ATOM 465 CA THR A 47 -23.257 16.641 -2.498 1.00 30.05 C ATOM 466 C THR A 47 -22.659 16.733 -1.091 1.00 32.13 C ATOM 467 O THR A 47 -22.246 17.823 -0.618 1.00 30.63 O ATOM 468 CB THR A 47 -24.774 16.891 -2.517 1.00 34.48 C ATOM 469 OG1 THR A 47 -25.478 15.763 -2.060 1.00 36.39 O ATOM 470 CG2 THR A 47 -25.262 17.057 -3.940 1.00 34.40 C ATOM 471 HG1 THR A 47 -25.276 14.990 -2.645 1.00 0.00 H ATOM 472 H THR A 47 -23.623 14.743 -3.562 1.00 0.00 H ATOM 473 N ASP A 48 -22.520 15.585 -0.430 1.00 27.99 N ATOM 474 CA ASP A 48 -22.015 15.605 0.962 1.00 26.18 C ATOM 475 C ASP A 48 -20.488 15.793 1.086 1.00 28.48 C ATOM 476 O ASP A 48 -19.922 15.698 2.218 1.00 27.81 O ATOM 477 CB ASP A 48 -22.564 14.358 1.705 1.00 26.56 C ATOM 478 CG ASP A 48 -21.892 13.053 1.254 1.00 27.05 C ATOM 479 OD1 ASP A 48 -21.138 13.051 0.286 1.00 27.94 O ATOM 480 OD2 ASP A 48 -22.014 12.065 1.944 1.00 30.06 O ATOM 481 H ASP A 48 -22.764 14.683 -0.887 1.00 0.00 H ATOM 482 N GLY A 49 -19.812 15.980 -0.070 1.00 26.61 N ATOM 483 CA GLY A 49 -18.372 16.073 -0.190 1.00 27.92 C ATOM 484 C GLY A 49 -17.599 14.776 -0.337 1.00 25.52 C ATOM 485 O GLY A 49 -16.348 14.763 -0.431 1.00 29.10 O ATOM 486 H GLY A 49 -20.371 16.064 -0.943 1.00 0.00 H ATOM 487 N SER A 50 -18.290 13.652 -0.278 1.00 24.93 N ATOM 488 CA SER A 50 -17.607 12.387 -0.529 1.00 21.32 C ATOM 489 C SER A 50 -17.472 12.292 -2.079 1.00 18.34 C ATOM 490 O SER A 50 -17.978 13.139 -2.797 1.00 20.63 O ATOM 491 CB SER A 50 -18.394 11.190 0.037 1.00 18.48 C ATOM 492 OG SER A 50 -19.682 11.125 -0.497 1.00 19.37 O ATOM 493 HG SER A 50 -20.172 11.956 -0.275 1.00 0.00 H ATOM 494 H SER A 50 -19.306 13.668 -0.056 1.00 0.00 H ATOM 495 N THR A 51 -16.812 11.252 -2.562 1.00 18.54 N ATOM 496 CA THR A 51 -16.610 11.049 -3.971 1.00 17.00 C ATOM 497 C THR A 51 -16.822 9.561 -4.229 1.00 17.02 C ATOM 498 O THR A 51 -16.573 8.670 -3.371 1.00 16.19 O ATOM 499 CB THR A 51 -15.182 11.473 -4.347 1.00 17.63 C ATOM 500 OG1 THR A 51 -15.031 12.837 -4.002 1.00 18.93 O ATOM 501 CG2 THR A 51 -14.887 11.317 -5.852 1.00 15.81 C ATOM 502 HG1 THR A 51 -15.178 12.948 -3.029 1.00 0.00 H ATOM 503 H THR A 51 -16.424 10.554 -1.896 1.00 0.00 H ATOM 504 N ASP A 52 -17.396 9.312 -5.391 1.00 18.38 N ATOM 505 CA ASP A 52 -17.566 7.971 -5.959 1.00 17.87 C ATOM 506 C ASP A 52 -16.441 7.620 -6.955 1.00 18.36 C ATOM 507 O ASP A 52 -16.087 8.428 -7.825 1.00 16.10 O ATOM 508 CB ASP A 52 -18.896 7.972 -6.729 1.00 19.06 C ATOM 509 CG ASP A 52 -20.136 8.044 -5.835 1.00 22.01 C ATOM 510 OD1 ASP A 52 -20.110 7.854 -4.583 1.00 20.48 O ATOM 511 OD2 ASP A 52 -21.184 8.254 -6.455 1.00 26.67 O ATOM 512 H ASP A 52 -17.751 10.121 -5.940 1.00 0.00 H ATOM 513 N TYR A 53 -15.917 6.424 -6.832 1.00 17.08 N ATOM 514 CA TYR A 53 -14.780 5.933 -7.604 1.00 17.06 C ATOM 515 C TYR A 53 -15.018 4.630 -8.325 1.00 16.86 C ATOM 516 O TYR A 53 -15.550 3.681 -7.763 1.00 18.94 O ATOM 517 CB TYR A 53 -13.604 5.702 -6.662 1.00 18.43 C ATOM 518 CG TYR A 53 -13.149 6.958 -5.957 1.00 16.82 C ATOM 519 CD1 TYR A 53 -13.732 7.364 -4.750 1.00 17.92 C ATOM 520 CD2 TYR A 53 -12.131 7.728 -6.470 1.00 18.10 C ATOM 521 CE1 TYR A 53 -13.308 8.494 -4.092 1.00 17.28 C ATOM 522 CE2 TYR A 53 -11.743 8.884 -5.871 1.00 17.90 C ATOM 523 CZ TYR A 53 -12.323 9.272 -4.679 1.00 18.94 C ATOM 524 OH TYR A 53 -11.884 10.423 -4.072 1.00 17.52 O ATOM 525 HH TYR A 53 -12.391 10.567 -3.234 1.00 0.00 H ATOM 526 H TYR A 53 -16.342 5.780 -6.135 1.00 0.00 H ATOM 527 N GLY A 54 -14.556 4.592 -9.570 1.00 17.38 N ATOM 528 CA GLY A 54 -14.387 3.429 -10.411 1.00 19.37 C ATOM 529 C GLY A 54 -15.632 2.882 -11.063 1.00 19.14 C ATOM 530 O GLY A 54 -16.623 3.546 -11.164 1.00 17.18 O ATOM 531 H GLY A 54 -14.285 5.505 -9.988 1.00 0.00 H ATOM 532 N ILE A 55 -15.510 1.680 -11.566 1.00 18.51 N ATOM 533 CA ILE A 55 -16.488 1.088 -12.423 1.00 23.31 C ATOM 534 C ILE A 55 -17.911 0.955 -11.770 1.00 20.76 C ATOM 535 O ILE A 55 -18.940 1.063 -12.464 1.00 21.90 O ATOM 536 CB ILE A 55 -15.906 -0.265 -12.945 1.00 28.95 C ATOM 537 CG1 ILE A 55 -16.641 -0.687 -14.178 1.00 33.03 C ATOM 538 CG2 ILE A 55 -15.910 -1.344 -11.866 1.00 26.09 C ATOM 539 CD1 ILE A 55 -15.778 -0.557 -15.371 1.00 35.86 C ATOM 540 H ILE A 55 -14.660 1.129 -11.331 1.00 0.00 H ATOM 541 N LEU A 56 -17.946 0.854 -10.445 1.00 18.04 N ATOM 542 CA LEU A 56 -19.186 0.791 -9.668 1.00 19.63 C ATOM 543 C LEU A 56 -19.385 1.985 -8.739 1.00 21.92 C ATOM 544 O LEU A 56 -20.272 1.983 -7.880 1.00 20.63 O ATOM 545 CB LEU A 56 -19.270 -0.543 -8.915 1.00 20.96 C ATOM 546 CG LEU A 56 -19.561 -1.768 -9.826 1.00 20.51 C ATOM 547 CD1 LEU A 56 -19.361 -3.062 -9.052 1.00 21.62 C ATOM 548 CD2 LEU A 56 -20.964 -1.704 -10.335 1.00 21.01 C ATOM 549 H LEU A 56 -17.042 0.818 -9.931 1.00 0.00 H ATOM 550 N GLN A 57 -18.585 3.048 -8.931 1.00 18.82 N ATOM 551 CA GLN A 57 -18.862 4.320 -8.243 1.00 18.00 C ATOM 552 C GLN A 57 -19.043 4.154 -6.724 1.00 17.77 C ATOM 553 O GLN A 57 -20.001 4.646 -6.096 1.00 16.53 O ATOM 554 CB GLN A 57 -20.041 5.073 -8.884 1.00 17.94 C ATOM 555 CG GLN A 57 -19.731 5.682 -10.241 1.00 18.05 C ATOM 556 CD GLN A 57 -18.715 6.777 -10.183 1.00 17.58 C ATOM 557 OE1 GLN A 57 -19.035 7.926 -9.989 1.00 18.59 O ATOM 558 NE2 GLN A 57 -17.481 6.416 -10.360 1.00 18.18 N ATOM 559 HE22 GLN A 57 -17.250 5.415 -10.524 1.00 0.00 H ATOM 560 HE21 GLN A 57 -16.723 7.127 -10.338 1.00 0.00 H ATOM 561 H GLN A 57 -17.767 2.972 -9.568 1.00 0.00 H ATOM 562 N ILE A 58 -18.019 3.538 -6.150 1.00 15.49 N ATOM 563 CA ILE A 58 -18.001 3.208 -4.731 1.00 18.70 C ATOM 564 C ILE A 58 -17.550 4.425 -3.947 1.00 21.06 C ATOM 565 O ILE A 58 -16.523 5.057 -4.274 1.00 20.12 O ATOM 566 CB ILE A 58 -17.115 1.991 -4.459 1.00 20.04 C ATOM 567 CG1 ILE A 58 -17.833 0.698 -4.963 1.00 22.05 C ATOM 568 CG2 ILE A 58 -16.792 1.885 -2.980 1.00 21.42 C ATOM 569 CD1 ILE A 58 -16.946 -0.518 -5.087 1.00 20.10 C ATOM 570 H ILE A 58 -17.198 3.281 -6.734 1.00 0.00 H ATOM 571 N ASN A 59 -18.305 4.686 -2.878 1.00 20.00 N ATOM 572 CA ASN A 59 -18.355 5.956 -2.163 1.00 21.63 C ATOM 573 C ASN A 59 -17.256 6.054 -1.085 1.00 20.52 C ATOM 574 O ASN A 59 -17.053 5.084 -0.343 1.00 21.75 O ATOM 575 CB ASN A 59 -19.772 6.024 -1.524 1.00 22.87 C ATOM 576 CG ASN A 59 -20.174 7.422 -1.148 1.00 24.00 C ATOM 577 OD1 ASN A 59 -19.335 8.264 -1.128 1.00 26.00 O ATOM 578 ND2 ASN A 59 -21.474 7.676 -0.888 1.00 24.52 N ATOM 579 HD22 ASN A 59 -22.171 6.904 -0.918 1.00 0.00 H ATOM 580 HD21 ASN A 59 -21.779 8.643 -0.658 1.00 0.00 H ATOM 581 H ASN A 59 -18.910 3.917 -2.524 1.00 0.00 H ATOM 582 N SER A 60 -16.562 7.205 -0.983 1.00 18.99 N ATOM 583 CA SER A 60 -15.602 7.427 0.043 1.00 19.22 C ATOM 584 C SER A 60 -16.285 7.732 1.418 1.00 21.78 C ATOM 585 O SER A 60 -15.594 7.689 2.460 1.00 24.59 O ATOM 586 CB SER A 60 -14.662 8.531 -0.360 1.00 17.70 C ATOM 587 OG SER A 60 -15.388 9.764 -0.333 1.00 17.29 O ATOM 588 HG SER A 60 -14.787 10.505 -0.596 1.00 0.00 H ATOM 589 H SER A 60 -16.735 7.958 -1.679 1.00 0.00 H ATOM 590 N ARG A 61 -17.604 7.974 1.438 1.00 22.57 N ATOM 591 CA ARG A 61 -18.340 8.237 2.733 1.00 26.16 C ATOM 592 C ARG A 61 -18.234 7.019 3.673 1.00 24.83 C ATOM 593 O ARG A 61 -17.998 7.181 4.876 1.00 29.28 O ATOM 594 CB ARG A 61 -19.809 8.694 2.494 1.00 27.17 C ATOM 595 CG ARG A 61 -20.636 8.959 3.778 1.00 31.00 C ATOM 596 CD ARG A 61 -20.052 10.021 4.699 1.00 32.62 C ATOM 597 NE ARG A 61 -19.928 11.287 3.977 1.00 38.16 N ATOM 598 CZ ARG A 61 -19.099 12.300 4.261 1.00 40.39 C ATOM 599 NH1 ARG A 61 -19.109 13.387 3.497 1.00 42.09 N ATOM 600 NH2 ARG A 61 -18.271 12.256 5.279 1.00 43.42 N ATOM 601 HE ARG A 61 -20.551 11.414 3.154 1.00 0.00 H ATOM 602 HH12 ARG A 61 -18.469 14.178 3.710 1.00 0.00 H ATOM 603 HH11 ARG A 61 -19.757 13.447 2.686 1.00 0.00 H ATOM 604 HH22 ARG A 61 -17.640 13.060 5.472 1.00 0.00 H ATOM 605 HH21 ARG A 61 -18.246 11.417 5.893 1.00 0.00 H ATOM 606 H ARG A 61 -18.133 7.981 0.543 1.00 0.00 H ATOM 607 N TRP A 62 -18.244 5.803 3.109 1.00 23.70 N ATOM 608 CA TRP A 62 -18.241 4.545 3.844 1.00 25.32 C ATOM 609 C TRP A 62 -17.160 3.535 3.553 1.00 21.76 C ATOM 610 O TRP A 62 -16.801 2.687 4.419 1.00 24.51 O ATOM 611 CB TRP A 62 -19.568 3.808 3.531 1.00 28.59 C ATOM 612 CG TRP A 62 -20.631 4.486 4.036 1.00 32.45 C ATOM 613 CD1 TRP A 62 -21.617 5.198 3.352 1.00 34.93 C ATOM 614 CD2 TRP A 62 -20.883 4.635 5.389 1.00 40.82 C ATOM 615 NE1 TRP A 62 -22.494 5.736 4.243 1.00 36.66 N ATOM 616 CE2 TRP A 62 -22.040 5.434 5.509 1.00 41.16 C ATOM 617 CE3 TRP A 62 -20.233 4.172 6.545 1.00 48.63 C ATOM 618 CZ2 TRP A 62 -22.567 5.759 6.735 1.00 50.14 C ATOM 619 CZ3 TRP A 62 -20.760 4.507 7.776 1.00 53.63 C ATOM 620 CH2 TRP A 62 -21.919 5.293 7.862 1.00 51.90 C ATOM 621 HE1 TRP A 62 -23.351 6.277 4.011 1.00 0.00 H ATOM 622 H TRP A 62 -18.255 5.754 2.070 1.00 0.00 H ATOM 623 N TRP A 63 -16.735 3.475 2.290 1.00 23.24 N ATOM 624 CA TRP A 63 -16.094 2.266 1.781 1.00 21.96 C ATOM 625 C TRP A 63 -14.596 2.353 1.498 1.00 20.76 C ATOM 626 O TRP A 63 -13.922 1.342 1.467 1.00 19.97 O ATOM 627 CB TRP A 63 -16.820 1.750 0.495 1.00 23.30 C ATOM 628 CG TRP A 63 -18.243 1.620 0.733 1.00 23.02 C ATOM 629 CD1 TRP A 63 -19.220 2.456 0.315 1.00 21.64 C ATOM 630 CD2 TRP A 63 -18.865 0.645 1.568 1.00 20.28 C ATOM 631 NE1 TRP A 63 -20.455 2.032 0.822 1.00 24.28 N ATOM 632 CE2 TRP A 63 -20.249 0.900 1.564 1.00 22.64 C ATOM 633 CE3 TRP A 63 -18.389 -0.442 2.245 1.00 23.36 C ATOM 634 CZ2 TRP A 63 -21.167 0.114 2.289 1.00 26.30 C ATOM 635 CZ3 TRP A 63 -19.294 -1.237 2.950 1.00 24.36 C ATOM 636 CH2 TRP A 63 -20.642 -0.963 2.949 1.00 23.23 C ATOM 637 HE1 TRP A 63 -21.371 2.497 0.662 1.00 0.00 H ATOM 638 H TRP A 63 -16.861 4.295 1.663 1.00 0.00 H ATOM 639 N CYS A 64 -14.074 3.546 1.226 1.00 19.70 N ATOM 640 CA CYS A 64 -12.653 3.680 0.908 1.00 19.99 C ATOM 641 C CYS A 64 -12.147 5.017 1.464 1.00 18.75 C ATOM 642 O CYS A 64 -12.935 5.879 1.790 1.00 21.73 O ATOM 643 CB CYS A 64 -12.374 3.585 -0.612 1.00 18.13 C ATOM 644 SG CYS A 64 -13.229 4.848 -1.580 1.00 19.82 S ATOM 645 H CYS A 64 -14.681 4.390 1.240 1.00 0.00 H ATOM 646 N ASN A 65 -10.815 5.165 1.522 1.00 21.20 N ATOM 647 CA ASN A 65 -10.226 6.404 2.026 1.00 22.07 C ATOM 648 C ASN A 65 -9.577 7.188 0.854 1.00 17.18 C ATOM 649 O ASN A 65 -8.663 6.696 0.215 1.00 19.49 O ATOM 650 CB ASN A 65 -9.170 6.034 3.059 1.00 24.01 C ATOM 651 CG ASN A 65 -8.577 7.256 3.797 1.00 29.99 C ATOM 652 OD1 ASN A 65 -8.613 8.425 3.346 1.00 30.39 O ATOM 653 ND2 ASN A 65 -8.062 6.971 4.977 1.00 31.85 N ATOM 654 HD22 ASN A 65 -8.051 5.988 5.316 1.00 0.00 H ATOM 655 HD21 ASN A 65 -7.667 7.729 5.569 1.00 0.00 H ATOM 656 H ASN A 65 -10.196 4.391 1.206 1.00 0.00 H ATOM 657 N ASP A 66 -10.047 8.405 0.644 1.00 20.37 N ATOM 658 CA ASP A 66 -9.494 9.232 -0.451 1.00 18.07 C ATOM 659 C ASP A 66 -8.705 10.428 0.089 1.00 20.82 C ATOM 660 O ASP A 66 -8.312 11.322 -0.680 1.00 20.99 O ATOM 661 CB ASP A 66 -10.519 9.701 -1.446 1.00 19.94 C ATOM 662 CG ASP A 66 -11.562 10.606 -0.864 1.00 19.31 C ATOM 663 OD1 ASP A 66 -11.483 10.991 0.361 1.00 18.84 O ATOM 664 OD2 ASP A 66 -12.493 11.000 -1.618 1.00 18.68 O ATOM 665 H ASP A 66 -10.805 8.781 1.248 1.00 0.00 H ATOM 666 N GLY A 67 -8.473 10.406 1.398 1.00 22.67 N ATOM 667 CA GLY A 67 -7.780 11.470 2.110 1.00 24.17 C ATOM 668 C GLY A 67 -8.467 12.821 2.223 1.00 25.14 C ATOM 669 O GLY A 67 -7.822 13.816 2.648 1.00 25.25 O ATOM 670 H GLY A 67 -8.804 9.584 1.943 1.00 0.00 H ATOM 671 N ARG A 68 -9.736 12.925 1.839 1.00 20.80 N ATOM 672 CA ARG A 68 -10.381 14.208 1.909 1.00 23.40 C ATOM 673 C ARG A 68 -11.856 14.123 2.244 1.00 25.66 C ATOM 674 O ARG A 68 -12.595 15.066 2.004 1.00 30.73 O ATOM 675 CB ARG A 68 -10.190 14.951 0.592 1.00 23.65 C ATOM 676 CG ARG A 68 -10.991 14.336 -0.547 1.00 25.55 C ATOM 677 CD ARG A 68 -11.004 15.185 -1.789 1.00 25.88 C ATOM 678 NE ARG A 68 -11.977 14.765 -2.769 1.00 22.66 N ATOM 679 CZ ARG A 68 -11.973 15.191 -4.025 1.00 25.34 C ATOM 680 NH1 ARG A 68 -11.033 16.049 -4.420 1.00 24.66 N ATOM 681 NH2 ARG A 68 -12.910 14.778 -4.917 1.00 23.58 N ATOM 682 HE ARG A 68 -12.717 14.096 -2.476 1.00 0.00 H ATOM 683 HH12 ARG A 68 -11.020 16.390 -5.402 1.00 0.00 H ATOM 684 HH11 ARG A 68 -10.313 16.378 -3.746 1.00 0.00 H ATOM 685 HH22 ARG A 68 -12.885 15.127 -5.896 1.00 0.00 H ATOM 686 HH21 ARG A 68 -13.653 14.113 -4.621 1.00 0.00 H ATOM 687 H ARG A 68 -10.253 12.092 1.494 1.00 0.00 H ATOM 688 N THR A 69 -12.309 12.993 2.765 1.00 27.15 N ATOM 689 CA THR A 69 -13.733 12.841 3.123 1.00 25.68 C ATOM 690 C THR A 69 -13.850 12.743 4.678 1.00 28.03 C ATOM 691 O THR A 69 -13.665 11.689 5.249 1.00 26.07 O ATOM 692 CB THR A 69 -14.332 11.588 2.433 1.00 25.09 C ATOM 693 OG1 THR A 69 -14.055 11.706 1.027 1.00 24.14 O ATOM 694 CG2 THR A 69 -15.840 11.512 2.697 1.00 23.79 C ATOM 695 HG1 THR A 69 -14.424 10.920 0.552 1.00 0.00 H ATOM 696 H THR A 69 -11.653 12.202 2.924 1.00 0.00 H ATOM 697 N PRO A 70 -14.036 13.892 5.353 1.00 31.75 N ATOM 698 CA PRO A 70 -14.028 13.887 6.829 1.00 33.58 C ATOM 699 C PRO A 70 -15.194 13.144 7.389 1.00 37.00 C ATOM 700 O PRO A 70 -16.271 13.105 6.767 1.00 40.46 O ATOM 701 CB PRO A 70 -14.145 15.379 7.196 1.00 37.95 C ATOM 702 CG PRO A 70 -14.443 16.099 5.946 1.00 35.64 C ATOM 703 CD PRO A 70 -13.868 15.251 4.835 1.00 34.86 C ATOM 704 N GLY A 71 -15.000 12.554 8.557 1.00 37.76 N ATOM 705 CA GLY A 71 -16.073 11.789 9.191 1.00 41.75 C ATOM 706 C GLY A 71 -16.666 10.695 8.295 1.00 43.34 C ATOM 707 O GLY A 71 -17.894 10.513 8.238 1.00 46.89 O ATOM 708 H GLY A 71 -14.077 12.635 9.028 1.00 0.00 H ATOM 709 N SER A 72 -15.792 9.982 7.589 1.00 38.01 N ATOM 710 CA SER A 72 -16.212 8.934 6.659 1.00 38.87 C ATOM 711 C SER A 72 -15.669 7.625 7.256 1.00 37.30 C ATOM 712 O SER A 72 -15.001 7.699 8.269 1.00 34.58 O ATOM 713 CB SER A 72 -15.648 9.239 5.245 1.00 31.21 C ATOM 714 OG SER A 72 -14.292 8.882 5.173 1.00 32.44 O ATOM 715 HG SER A 72 -14.197 7.914 5.357 1.00 0.00 H ATOM 716 H SER A 72 -14.777 10.176 7.702 1.00 0.00 H ATOM 717 N ARG A 73 -15.968 6.453 6.662 1.00 32.10 N ATOM 718 CA ARG A 73 -15.289 5.205 7.012 1.00 30.89 C ATOM 719 C ARG A 73 -14.579 4.677 5.767 1.00 28.80 C ATOM 720 O ARG A 73 -14.731 5.221 4.653 1.00 27.10 O ATOM 721 CB ARG A 73 -16.297 4.156 7.499 1.00 35.82 C ATOM 722 CG ARG A 73 -17.311 4.640 8.526 1.00 37.63 C ATOM 723 CD ARG A 73 -16.692 4.792 9.901 1.00 45.72 C ATOM 724 NE ARG A 73 -16.170 3.522 10.441 1.00 51.94 N ATOM 725 CZ ARG A 73 -16.743 2.766 11.384 1.00 58.94 C ATOM 726 NH1 ARG A 73 -17.910 3.108 11.963 1.00 63.58 N ATOM 727 NH2 ARG A 73 -16.134 1.641 11.746 1.00 64.03 N ATOM 728 HE ARG A 73 -15.268 3.181 10.050 1.00 0.00 H ATOM 729 HH12 ARG A 73 -18.327 2.496 12.693 1.00 0.00 H ATOM 730 HH11 ARG A 73 -18.394 3.984 11.680 1.00 0.00 H ATOM 731 HH22 ARG A 73 -16.556 1.033 12.477 1.00 0.00 H ATOM 732 HH21 ARG A 73 -15.236 1.369 11.298 1.00 0.00 H ATOM 733 H ARG A 73 -16.706 6.435 5.930 1.00 0.00 H ATOM 734 N ASN A 74 -13.832 3.624 5.992 1.00 27.15 N ATOM 735 CA ASN A 74 -13.082 2.912 4.995 1.00 27.12 C ATOM 736 C ASN A 74 -13.367 1.408 5.209 1.00 26.98 C ATOM 737 O ASN A 74 -12.471 0.593 5.440 1.00 27.72 O ATOM 738 CB ASN A 74 -11.623 3.271 5.138 1.00 24.80 C ATOM 739 CG ASN A 74 -10.765 2.575 4.164 1.00 23.57 C ATOM 740 OD1 ASN A 74 -11.225 1.938 3.235 1.00 22.55 O ATOM 741 ND2 ASN A 74 -9.483 2.685 4.356 1.00 25.15 N ATOM 742 HD22 ASN A 74 -9.123 3.237 5.160 1.00 0.00 H ATOM 743 HD21 ASN A 74 -8.818 2.221 3.705 1.00 0.00 H ATOM 744 H ASN A 74 -13.778 3.276 6.971 1.00 0.00 H ATOM 745 N LEU A 75 -14.625 1.023 5.036 1.00 31.05 N ATOM 746 CA LEU A 75 -15.025 -0.369 5.317 1.00 27.30 C ATOM 747 C LEU A 75 -14.423 -1.379 4.376 1.00 27.43 C ATOM 748 O LEU A 75 -14.313 -2.552 4.740 1.00 25.08 O ATOM 749 CB LEU A 75 -16.567 -0.463 5.437 1.00 27.64 C ATOM 750 CG LEU A 75 -17.128 0.399 6.560 1.00 29.41 C ATOM 751 CD1 LEU A 75 -18.641 0.570 6.520 1.00 31.38 C ATOM 752 CD2 LEU A 75 -16.642 -0.103 7.923 1.00 32.85 C ATOM 753 H LEU A 75 -15.333 1.707 4.700 1.00 0.00 H ATOM 754 N CYS A 76 -13.942 -0.984 3.166 1.00 22.95 N ATOM 755 CA CYS A 76 -13.231 -1.951 2.363 1.00 20.73 C ATOM 756 C CYS A 76 -11.735 -1.971 2.612 1.00 21.69 C ATOM 757 O CYS A 76 -11.013 -2.731 1.997 1.00 23.33 O ATOM 758 CB CYS A 76 -13.547 -1.772 0.874 1.00 20.61 C ATOM 759 SG CYS A 76 -15.309 -2.169 0.575 1.00 23.57 S ATOM 760 H CYS A 76 -14.083 -0.011 2.828 1.00 0.00 H ATOM 761 N ASN A 77 -11.273 -1.076 3.460 1.00 26.00 N ATOM 762 CA ASN A 77 -9.847 -0.997 3.833 1.00 29.28 C ATOM 763 C ASN A 77 -8.970 -0.788 2.655 1.00 25.40 C ATOM 764 O ASN A 77 -8.032 -1.574 2.387 1.00 29.45 O ATOM 765 CB ASN A 77 -9.382 -2.257 4.583 1.00 37.09 C ATOM 766 CG ASN A 77 -8.046 -2.030 5.310 1.00 45.26 C ATOM 767 OD1 ASN A 77 -7.670 -0.889 5.622 1.00 47.70 O ATOM 768 ND2 ASN A 77 -7.310 -3.122 5.558 1.00 55.34 N ATOM 769 HD22 ASN A 77 -7.662 -4.060 5.280 1.00 0.00 H ATOM 770 HD21 ASN A 77 -6.387 -3.031 6.028 1.00 0.00 H ATOM 771 H ASN A 77 -11.939 -0.398 3.883 1.00 0.00 H ATOM 772 N ILE A 78 -9.302 0.245 1.861 1.00 24.33 N ATOM 773 CA ILE A 78 -8.524 0.477 0.636 1.00 24.10 C ATOM 774 C ILE A 78 -8.454 1.970 0.391 1.00 21.97 C ATOM 775 O ILE A 78 -9.367 2.697 0.734 1.00 21.43 O ATOM 776 CB ILE A 78 -9.144 -0.119 -0.671 1.00 26.47 C ATOM 777 CG1 ILE A 78 -10.627 0.136 -0.736 1.00 24.41 C ATOM 778 CG2 ILE A 78 -8.790 -1.558 -0.848 1.00 29.97 C ATOM 779 CD1 ILE A 78 -11.196 -0.120 -2.123 1.00 28.29 C ATOM 780 H ILE A 78 -10.096 0.869 2.110 1.00 0.00 H ATOM 781 N PRO A 79 -7.334 2.436 -0.175 1.00 23.70 N ATOM 782 CA PRO A 79 -7.437 3.776 -0.806 1.00 22.36 C ATOM 783 C PRO A 79 -8.396 3.762 -2.009 1.00 17.23 C ATOM 784 O PRO A 79 -8.451 2.820 -2.785 1.00 19.45 O ATOM 785 CB PRO A 79 -6.002 4.063 -1.313 1.00 21.63 C ATOM 786 CG PRO A 79 -5.377 2.723 -1.471 1.00 26.06 C ATOM 787 CD PRO A 79 -6.126 1.707 -0.609 1.00 24.80 C ATOM 788 N CYS A 80 -9.120 4.861 -2.166 1.00 19.84 N ATOM 789 CA CYS A 80 -10.118 4.962 -3.202 1.00 19.08 C ATOM 790 C CYS A 80 -9.520 4.859 -4.579 1.00 19.59 C ATOM 791 O CYS A 80 -10.142 4.313 -5.478 1.00 17.96 O ATOM 792 CB CYS A 80 -10.964 6.217 -3.062 1.00 19.03 C ATOM 793 SG CYS A 80 -11.889 6.417 -1.526 1.00 19.85 S ATOM 794 H CYS A 80 -8.965 5.668 -1.528 1.00 0.00 H ATOM 795 N SER A 81 -8.296 5.349 -4.757 1.00 19.86 N ATOM 796 CA SER A 81 -7.598 5.164 -6.041 1.00 20.64 C ATOM 797 C SER A 81 -7.422 3.724 -6.527 1.00 21.71 C ATOM 798 O SER A 81 -7.379 3.492 -7.737 1.00 23.12 O ATOM 799 CB SER A 81 -6.231 5.901 -6.002 1.00 23.17 C ATOM 800 OG SER A 81 -5.397 5.425 -4.997 1.00 26.11 O ATOM 801 HG SER A 81 -5.220 4.462 -5.145 1.00 0.00 H ATOM 802 H SER A 81 -7.829 5.866 -3.985 1.00 0.00 H ATOM 803 N ALA A 82 -7.385 2.753 -5.604 1.00 23.97 N ATOM 804 CA ALA A 82 -7.402 1.324 -5.968 1.00 27.02 C ATOM 805 C ALA A 82 -8.619 0.902 -6.753 1.00 27.59 C ATOM 806 O ALA A 82 -8.560 -0.100 -7.513 1.00 29.62 O ATOM 807 CB ALA A 82 -7.270 0.437 -4.751 1.00 29.15 C ATOM 808 H ALA A 82 -7.343 3.016 -4.599 1.00 0.00 H ATOM 809 N LEU A 83 -9.713 1.662 -6.589 1.00 22.46 N ATOM 810 CA LEU A 83 -10.968 1.425 -7.318 1.00 22.38 C ATOM 811 C LEU A 83 -10.937 1.959 -8.799 1.00 21.53 C ATOM 812 O LEU A 83 -11.879 1.738 -9.586 1.00 23.23 O ATOM 813 CB LEU A 83 -12.158 1.984 -6.523 1.00 22.00 C ATOM 814 CG LEU A 83 -12.426 1.567 -5.058 1.00 24.35 C ATOM 815 CD1 LEU A 83 -13.444 2.464 -4.319 1.00 22.21 C ATOM 816 CD2 LEU A 83 -12.940 0.130 -5.094 1.00 26.06 C ATOM 817 H LEU A 83 -9.671 2.454 -5.916 1.00 0.00 H ATOM 818 N LEU A 84 -9.846 2.614 -9.202 1.00 21.30 N ATOM 819 CA LEU A 84 -9.673 3.161 -10.520 1.00 22.32 C ATOM 820 C LEU A 84 -8.749 2.338 -11.427 1.00 24.05 C ATOM 821 O LEU A 84 -8.499 2.689 -12.609 1.00 24.56 O ATOM 822 CB LEU A 84 -9.140 4.581 -10.404 1.00 21.08 C ATOM 823 CG LEU A 84 -9.932 5.535 -9.503 1.00 22.09 C ATOM 824 CD1 LEU A 84 -9.236 6.882 -9.492 1.00 22.77 C ATOM 825 CD2 LEU A 84 -11.393 5.685 -9.868 1.00 21.12 C ATOM 826 H LEU A 84 -9.072 2.736 -8.519 1.00 0.00 H ATOM 827 N SER A 85 -8.237 1.260 -10.873 1.00 23.52 N ATOM 828 CA SER A 85 -7.335 0.367 -11.590 1.00 24.37 C ATOM 829 C SER A 85 -7.997 -0.282 -12.805 1.00 23.15 C ATOM 830 O SER A 85 -9.208 -0.495 -12.853 1.00 22.46 O ATOM 831 CB SER A 85 -6.813 -0.681 -10.610 1.00 23.54 C ATOM 832 OG SER A 85 -6.070 -1.692 -11.268 1.00 24.58 O ATOM 833 HG SER A 85 -5.749 -2.351 -10.602 1.00 0.00 H ATOM 834 H SER A 85 -8.485 1.037 -9.888 1.00 0.00 H ATOM 835 N SER A 86 -7.174 -0.651 -13.794 1.00 23.23 N ATOM 836 CA SER A 86 -7.653 -1.413 -14.950 1.00 22.71 C ATOM 837 C SER A 86 -8.087 -2.791 -14.495 1.00 22.60 C ATOM 838 O SER A 86 -8.886 -3.458 -15.125 1.00 23.35 O ATOM 839 CB SER A 86 -6.523 -1.574 -15.949 1.00 26.66 C ATOM 840 OG SER A 86 -5.430 -2.136 -15.265 1.00 28.81 O ATOM 841 HG SER A 86 -5.158 -1.533 -14.528 1.00 0.00 H ATOM 842 H SER A 86 -6.169 -0.390 -13.740 1.00 0.00 H ATOM 843 N ASP A 87 -7.531 -3.216 -13.396 1.00 22.68 N ATOM 844 CA ASP A 87 -7.997 -4.450 -12.783 1.00 26.40 C ATOM 845 C ASP A 87 -9.095 -4.230 -11.730 1.00 21.89 C ATOM 846 O ASP A 87 -8.884 -3.582 -10.693 1.00 23.17 O ATOM 847 CB ASP A 87 -6.870 -5.215 -12.135 1.00 28.71 C ATOM 848 CG ASP A 87 -7.344 -6.599 -11.689 1.00 37.58 C ATOM 849 OD1 ASP A 87 -7.257 -7.592 -12.473 1.00 43.02 O ATOM 850 OD2 ASP A 87 -7.893 -6.653 -10.602 1.00 30.05 O ATOM 851 H ASP A 87 -6.757 -2.675 -12.959 1.00 0.00 H ATOM 852 N ILE A 88 -10.196 -4.919 -11.935 1.00 23.45 N ATOM 853 CA ILE A 88 -11.401 -4.656 -11.151 1.00 22.97 C ATOM 854 C ILE A 88 -11.560 -5.381 -9.840 1.00 22.83 C ATOM 855 O ILE A 88 -12.585 -5.220 -9.163 1.00 20.80 O ATOM 856 CB ILE A 88 -12.662 -4.846 -12.021 1.00 24.73 C ATOM 857 CG1 ILE A 88 -12.919 -6.333 -12.379 1.00 24.44 C ATOM 858 CG2 ILE A 88 -12.564 -3.953 -13.248 1.00 24.69 C ATOM 859 CD1 ILE A 88 -14.339 -6.639 -12.841 1.00 23.73 C ATOM 860 H ILE A 88 -10.209 -5.660 -12.664 1.00 0.00 H ATOM 861 N THR A 89 -10.549 -6.162 -9.446 1.00 22.41 N ATOM 862 CA THR A 89 -10.613 -6.946 -8.248 1.00 23.98 C ATOM 863 C THR A 89 -11.045 -6.145 -7.037 1.00 24.39 C ATOM 864 O THR A 89 -11.966 -6.530 -6.310 1.00 23.88 O ATOM 865 CB THR A 89 -9.242 -7.684 -7.978 1.00 26.08 C ATOM 866 OG1 THR A 89 -8.916 -8.467 -9.136 1.00 27.19 O ATOM 867 CG2 THR A 89 -9.371 -8.592 -6.781 1.00 28.44 C ATOM 868 HG1 THR A 89 -8.833 -7.872 -9.923 1.00 0.00 H ATOM 869 H THR A 89 -9.688 -6.202 -10.028 1.00 0.00 H ATOM 870 N ALA A 90 -10.409 -5.022 -6.806 1.00 21.90 N ATOM 871 CA ALA A 90 -10.684 -4.300 -5.587 1.00 23.04 C ATOM 872 C ALA A 90 -12.130 -3.752 -5.643 1.00 23.23 C ATOM 873 O ALA A 90 -12.824 -3.812 -4.635 1.00 21.47 O ATOM 874 CB ALA A 90 -9.701 -3.166 -5.386 1.00 25.08 C ATOM 875 H ALA A 90 -9.717 -4.657 -7.491 1.00 0.00 H ATOM 876 N SER A 91 -12.587 -3.232 -6.792 1.00 21.04 N ATOM 877 CA SER A 91 -14.011 -2.831 -6.890 1.00 21.51 C ATOM 878 C SER A 91 -14.998 -3.995 -6.631 1.00 21.81 C ATOM 879 O SER A 91 -16.036 -3.819 -5.988 1.00 20.21 O ATOM 880 CB SER A 91 -14.309 -2.247 -8.256 1.00 20.34 C ATOM 881 OG SER A 91 -13.711 -0.971 -8.348 1.00 21.68 O ATOM 882 HG SER A 91 -13.901 -0.582 -9.238 1.00 0.00 H ATOM 883 H SER A 91 -11.950 -3.111 -7.605 1.00 0.00 H ATOM 884 N VAL A 92 -14.732 -5.147 -7.248 1.00 20.53 N ATOM 885 CA VAL A 92 -15.575 -6.310 -7.100 1.00 21.26 C ATOM 886 C VAL A 92 -15.601 -6.819 -5.664 1.00 22.20 C ATOM 887 O VAL A 92 -16.667 -7.057 -5.138 1.00 22.31 O ATOM 888 CB VAL A 92 -15.240 -7.471 -8.056 1.00 21.03 C ATOM 889 CG1 VAL A 92 -15.999 -8.714 -7.602 1.00 25.41 C ATOM 890 CG2 VAL A 92 -15.592 -7.115 -9.486 1.00 22.53 C ATOM 891 H VAL A 92 -13.890 -5.210 -7.855 1.00 0.00 H ATOM 892 N ASN A 93 -14.448 -6.989 -5.014 1.00 25.18 N ATOM 893 CA ASN A 93 -14.432 -7.417 -3.617 1.00 26.26 C ATOM 894 C ASN A 93 -15.137 -6.414 -2.725 1.00 24.60 C ATOM 895 O ASN A 93 -15.905 -6.808 -1.832 1.00 22.27 O ATOM 896 CB ASN A 93 -13.007 -7.693 -3.137 1.00 34.10 C ATOM 897 CG ASN A 93 -12.364 -8.823 -3.925 1.00 42.31 C ATOM 898 OD1 ASN A 93 -13.062 -9.615 -4.578 1.00 49.43 O ATOM 899 ND2 ASN A 93 -11.048 -8.887 -3.904 1.00 51.00 N ATOM 900 HD22 ASN A 93 -10.503 -8.202 -3.342 1.00 0.00 H ATOM 901 HD21 ASN A 93 -10.554 -9.622 -4.449 1.00 0.00 H ATOM 902 H ASN A 93 -13.550 -6.815 -5.508 1.00 0.00 H ATOM 903 N CYS A 94 -14.968 -5.117 -2.998 1.00 20.24 N ATOM 904 CA CYS A 94 -15.660 -4.134 -2.224 1.00 20.30 C ATOM 905 C CYS A 94 -17.192 -4.180 -2.449 1.00 21.47 C ATOM 906 O CYS A 94 -17.946 -4.089 -1.471 1.00 21.41 O ATOM 907 CB CYS A 94 -15.049 -2.703 -2.410 1.00 20.18 C ATOM 908 SG CYS A 94 -15.658 -1.453 -1.299 1.00 21.99 S ATOM 909 H CYS A 94 -14.336 -4.824 -3.770 1.00 0.00 H ATOM 910 N ALA A 95 -17.625 -4.298 -3.717 1.00 19.96 N ATOM 911 CA ALA A 95 -19.048 -4.428 -4.086 1.00 18.99 C ATOM 912 C ALA A 95 -19.715 -5.587 -3.350 1.00 19.05 C ATOM 913 O ALA A 95 -20.861 -5.497 -2.965 1.00 20.40 O ATOM 914 CB ALA A 95 -19.190 -4.657 -5.571 1.00 19.15 C ATOM 915 H ALA A 95 -16.918 -4.298 -4.480 1.00 0.00 H ATOM 916 N LYS A 96 -19.014 -6.713 -3.229 1.00 18.87 N ATOM 917 CA LYS A 96 -19.503 -7.841 -2.459 1.00 20.23 C ATOM 918 C LYS A 96 -19.795 -7.501 -1.032 1.00 21.93 C ATOM 919 O LYS A 96 -20.845 -7.934 -0.513 1.00 22.60 O ATOM 920 CB LYS A 96 -18.523 -9.004 -2.513 1.00 22.08 C ATOM 921 CG LYS A 96 -18.422 -9.563 -3.916 1.00 21.72 C ATOM 922 CD LYS A 96 -17.418 -10.690 -3.944 1.00 25.02 C ATOM 923 CE LYS A 96 -17.436 -11.443 -5.266 1.00 24.58 C ATOM 924 NZ LYS A 96 -16.263 -12.368 -5.336 1.00 27.62 N ATOM 925 HZ1 LYS A 96 -15.384 -11.817 -5.265 1.00 0.00 H ATOM 926 HZ2 LYS A 96 -16.312 -13.048 -4.551 1.00 0.00 H ATOM 927 HZ3 LYS A 96 -16.280 -12.880 -6.241 1.00 0.00 H ATOM 928 H LYS A 96 -18.090 -6.786 -3.700 1.00 0.00 H ATOM 929 N LYS A 97 -18.945 -6.678 -0.384 1.00 21.23 N ATOM 930 CA LYS A 97 -19.255 -6.243 0.988 1.00 25.13 C ATOM 931 C LYS A 97 -20.452 -5.311 1.023 1.00 23.01 C ATOM 932 O LYS A 97 -21.275 -5.323 1.958 1.00 23.11 O ATOM 933 CB LYS A 97 -18.111 -5.489 1.681 1.00 27.19 C ATOM 934 CG LYS A 97 -16.819 -6.253 1.844 1.00 39.56 C ATOM 935 CD LYS A 97 -15.924 -5.625 2.953 1.00 44.62 C ATOM 936 CE LYS A 97 -14.581 -6.386 3.092 1.00 53.30 C ATOM 937 NZ LYS A 97 -13.619 -6.232 1.948 1.00 52.12 N ATOM 938 HZ1 LYS A 97 -14.062 -6.582 1.075 1.00 0.00 H ATOM 939 HZ2 LYS A 97 -13.374 -5.228 1.836 1.00 0.00 H ATOM 940 HZ3 LYS A 97 -12.758 -6.781 2.145 1.00 0.00 H ATOM 941 H LYS A 97 -18.075 -6.352 -0.851 1.00 0.00 H ATOM 942 N ILE A 98 -20.485 -4.404 0.067 1.00 21.49 N ATOM 943 CA ILE A 98 -21.559 -3.383 0.002 1.00 20.56 C ATOM 944 C ILE A 98 -22.901 -4.065 -0.140 1.00 20.21 C ATOM 945 O ILE A 98 -23.864 -3.745 0.583 1.00 20.98 O ATOM 946 CB ILE A 98 -21.306 -2.401 -1.181 1.00 20.66 C ATOM 947 CG1 ILE A 98 -20.072 -1.587 -0.881 1.00 20.65 C ATOM 948 CG2 ILE A 98 -22.500 -1.495 -1.377 1.00 20.28 C ATOM 949 CD1 ILE A 98 -19.585 -0.791 -2.065 1.00 21.43 C ATOM 950 H ILE A 98 -19.740 -4.404 -0.659 1.00 0.00 H ATOM 951 N VAL A 99 -22.972 -4.962 -1.091 1.00 18.92 N ATOM 952 CA VAL A 99 -24.257 -5.610 -1.460 1.00 19.56 C ATOM 953 C VAL A 99 -24.790 -6.512 -0.360 1.00 22.94 C ATOM 954 O VAL A 99 -26.005 -6.825 -0.332 1.00 24.10 O ATOM 955 CB VAL A 99 -24.118 -6.307 -2.831 1.00 19.58 C ATOM 956 CG1 VAL A 99 -23.342 -7.630 -2.788 1.00 19.81 C ATOM 957 CG2 VAL A 99 -25.477 -6.598 -3.497 1.00 21.07 C ATOM 958 H VAL A 99 -22.106 -5.228 -1.602 1.00 0.00 H ATOM 959 N SER A 100 -23.874 -6.950 0.518 1.00 24.42 N ATOM 960 CA SER A 100 -24.158 -7.863 1.611 1.00 29.69 C ATOM 961 C SER A 100 -24.588 -7.097 2.829 1.00 32.36 C ATOM 962 O SER A 100 -24.877 -7.687 3.842 1.00 39.35 O ATOM 963 CB SER A 100 -22.892 -8.675 1.958 1.00 29.94 C ATOM 964 OG SER A 100 -22.481 -9.452 0.850 1.00 27.64 O ATOM 965 HG SER A 100 -22.281 -8.855 0.086 1.00 0.00 H ATOM 966 H SER A 100 -22.896 -6.613 0.408 1.00 0.00 H ATOM 967 N ASP A 101 -24.605 -5.784 2.775 1.00 34.08 N ATOM 968 CA ASP A 101 -24.658 -5.022 4.034 1.00 39.46 C ATOM 969 C ASP A 101 -26.074 -4.697 4.530 1.00 40.66 C ATOM 970 O ASP A 101 -26.231 -3.888 5.475 1.00 33.51 O ATOM 971 CB ASP A 101 -23.833 -3.739 3.925 1.00 44.47 C ATOM 972 CG ASP A 101 -24.544 -2.623 3.166 1.00 48.03 C ATOM 973 OD1 ASP A 101 -25.723 -2.800 2.745 1.00 51.67 O ATOM 974 OD2 ASP A 101 -23.910 -1.570 2.964 1.00 51.73 O ATOM 975 H ASP A 101 -24.581 -5.292 1.859 1.00 0.00 H ATOM 976 N GLY A 102 -27.096 -5.285 3.895 1.00 38.05 N ATOM 977 CA GLY A 102 -28.484 -5.015 4.286 1.00 39.34 C ATOM 978 C GLY A 102 -29.409 -4.525 3.189 1.00 36.74 C ATOM 979 O GLY A 102 -30.587 -4.972 3.127 1.00 30.17 O ATOM 980 H GLY A 102 -26.903 -5.943 3.113 1.00 0.00 H ATOM 981 N ASN A 103 -28.926 -3.583 2.363 1.00 30.36 N ATOM 982 CA ASN A 103 -29.796 -2.947 1.339 1.00 29.77 C ATOM 983 C ASN A 103 -29.600 -3.470 -0.061 1.00 23.25 C ATOM 984 O ASN A 103 -30.231 -2.974 -0.989 1.00 19.39 O ATOM 985 CB ASN A 103 -29.720 -1.413 1.390 1.00 36.11 C ATOM 986 CG ASN A 103 -30.169 -0.885 2.777 1.00 46.11 C ATOM 987 OD1 ASN A 103 -29.390 -0.278 3.510 1.00 49.67 O ATOM 988 ND2 ASN A 103 -31.400 -1.224 3.165 1.00 45.92 N ATOM 989 HD22 ASN A 103 -32.028 -1.737 2.514 1.00 0.00 H ATOM 990 HD21 ASN A 103 -31.732 -0.975 4.119 1.00 0.00 H ATOM 991 H ASN A 103 -27.930 -3.294 2.441 1.00 0.00 H ATOM 992 N GLY A 104 -28.821 -4.540 -0.172 1.00 17.73 N ATOM 993 CA GLY A 104 -28.538 -5.184 -1.461 1.00 19.59 C ATOM 994 C GLY A 104 -28.028 -4.174 -2.519 1.00 18.87 C ATOM 995 O GLY A 104 -27.265 -3.277 -2.172 1.00 17.42 O ATOM 996 H GLY A 104 -28.394 -4.938 0.689 1.00 0.00 H ATOM 997 N MET A 105 -28.461 -4.335 -3.755 1.00 17.47 N ATOM 998 CA MET A 105 -28.044 -3.404 -4.807 1.00 17.74 C ATOM 999 C MET A 105 -28.720 -2.035 -4.724 1.00 16.78 C ATOM 1000 O MET A 105 -28.315 -1.128 -5.424 1.00 17.23 O ATOM 1001 CB MET A 105 -28.162 -4.003 -6.183 1.00 18.19 C ATOM 1002 CG MET A 105 -27.084 -5.050 -6.503 1.00 18.01 C ATOM 1003 SD MET A 105 -26.879 -5.541 -8.199 1.00 18.10 S ATOM 1004 CE MET A 105 -25.932 -4.104 -8.646 1.00 18.32 C ATOM 1005 H MET A 105 -29.099 -5.124 -3.983 1.00 0.00 H ATOM 1006 N ASN A 106 -29.645 -1.837 -3.804 1.00 16.86 N ATOM 1007 CA ASN A 106 -30.249 -0.471 -3.651 1.00 17.66 C ATOM 1008 C ASN A 106 -29.210 0.568 -3.183 1.00 19.18 C ATOM 1009 O ASN A 106 -29.436 1.788 -3.266 1.00 17.25 O ATOM 1010 CB ASN A 106 -31.456 -0.485 -2.702 1.00 19.67 C ATOM 1011 CG ASN A 106 -32.573 -1.363 -3.210 1.00 19.88 C ATOM 1012 OD1 ASN A 106 -33.208 -1.039 -4.204 1.00 20.17 O ATOM 1013 ND2 ASN A 106 -32.783 -2.518 -2.565 1.00 20.82 N ATOM 1014 HD22 ASN A 106 -32.220 -2.753 -1.723 1.00 0.00 H ATOM 1015 HD21 ASN A 106 -33.510 -3.179 -2.906 1.00 0.00 H ATOM 1016 H ASN A 106 -29.952 -2.619 -3.191 1.00 0.00 H ATOM 1017 N ALA A 107 -28.078 0.084 -2.674 1.00 18.33 N ATOM 1018 CA ALA A 107 -26.989 0.957 -2.286 1.00 20.25 C ATOM 1019 C ALA A 107 -26.454 1.745 -3.505 1.00 20.35 C ATOM 1020 O ALA A 107 -25.909 2.847 -3.364 1.00 18.22 O ATOM 1021 CB ALA A 107 -25.918 0.155 -1.644 1.00 20.78 C ATOM 1022 H ALA A 107 -27.974 -0.944 -2.552 1.00 0.00 H ATOM 1023 N TRP A 108 -26.660 1.204 -4.719 1.00 19.01 N ATOM 1024 CA TRP A 108 -26.323 1.911 -5.941 1.00 19.35 C ATOM 1025 C TRP A 108 -27.572 2.619 -6.447 1.00 22.88 C ATOM 1026 O TRP A 108 -28.516 1.984 -6.979 1.00 17.61 O ATOM 1027 CB TRP A 108 -25.735 0.961 -6.986 1.00 20.44 C ATOM 1028 CG TRP A 108 -24.377 0.507 -6.659 1.00 17.99 C ATOM 1029 CD1 TRP A 108 -23.194 1.141 -7.020 1.00 17.99 C ATOM 1030 CD2 TRP A 108 -23.989 -0.694 -5.954 1.00 19.42 C ATOM 1031 NE1 TRP A 108 -22.126 0.407 -6.596 1.00 19.01 N ATOM 1032 CE2 TRP A 108 -22.570 -0.708 -5.917 1.00 20.30 C ATOM 1033 CE3 TRP A 108 -24.691 -1.738 -5.307 1.00 18.59 C ATOM 1034 CZ2 TRP A 108 -21.855 -1.730 -5.282 1.00 19.49 C ATOM 1035 CZ3 TRP A 108 -23.953 -2.768 -4.681 1.00 17.82 C ATOM 1036 CH2 TRP A 108 -22.569 -2.758 -4.694 1.00 18.75 C ATOM 1037 HE1 TRP A 108 -21.128 0.651 -6.760 1.00 0.00 H ATOM 1038 H TRP A 108 -27.073 0.252 -4.784 1.00 0.00 H ATOM 1039 N VAL A 109 -27.607 3.950 -6.262 1.00 23.66 N ATOM 1040 CA VAL A 109 -28.782 4.747 -6.725 1.00 26.75 C ATOM 1041 C VAL A 109 -29.063 4.541 -8.215 1.00 22.59 C ATOM 1042 O VAL A 109 -30.226 4.373 -8.534 1.00 28.76 O ATOM 1043 CB VAL A 109 -28.716 6.276 -6.349 1.00 31.22 C ATOM 1044 CG1 VAL A 109 -30.030 6.952 -6.667 1.00 32.95 C ATOM 1045 CG2 VAL A 109 -28.533 6.470 -4.847 1.00 36.19 C ATOM 1046 H VAL A 109 -26.811 4.428 -5.794 1.00 0.00 H ATOM 1047 N ALA A 110 -28.052 4.493 -9.092 1.00 22.76 N ATOM 1048 CA ALA A 110 -28.227 4.162 -10.520 1.00 23.54 C ATOM 1049 C ALA A 110 -28.872 2.765 -10.767 1.00 22.81 C ATOM 1050 O ALA A 110 -29.691 2.602 -11.649 1.00 19.32 O ATOM 1051 CB ALA A 110 -26.936 4.277 -11.315 1.00 23.99 C ATOM 1052 H ALA A 110 -27.092 4.700 -8.749 1.00 0.00 H ATOM 1053 N TRP A 111 -28.485 1.781 -9.978 1.00 21.10 N ATOM 1054 CA TRP A 111 -29.109 0.494 -10.095 1.00 18.21 C ATOM 1055 C TRP A 111 -30.624 0.584 -9.801 1.00 16.93 C ATOM 1056 O TRP A 111 -31.472 0.119 -10.598 1.00 18.05 O ATOM 1057 CB TRP A 111 -28.423 -0.557 -9.213 1.00 17.37 C ATOM 1058 CG TRP A 111 -29.150 -1.919 -9.400 1.00 16.41 C ATOM 1059 CD1 TRP A 111 -28.996 -2.821 -10.424 1.00 16.80 C ATOM 1060 CD2 TRP A 111 -30.198 -2.456 -8.554 1.00 16.47 C ATOM 1061 NE1 TRP A 111 -29.828 -3.894 -10.247 1.00 16.18 N ATOM 1062 CE2 TRP A 111 -30.588 -3.701 -9.115 1.00 15.23 C ATOM 1063 CE3 TRP A 111 -30.832 -2.006 -7.394 1.00 16.31 C ATOM 1064 CZ2 TRP A 111 -31.613 -4.478 -8.556 1.00 18.00 C ATOM 1065 CZ3 TRP A 111 -31.739 -2.789 -6.785 1.00 15.28 C ATOM 1066 CH2 TRP A 111 -32.188 -4.001 -7.365 1.00 15.20 C ATOM 1067 HE1 TRP A 111 -29.878 -4.725 -10.870 1.00 0.00 H ATOM 1068 H TRP A 111 -27.733 1.937 -9.276 1.00 0.00 H ATOM 1069 N ARG A 112 -30.967 1.192 -8.678 1.00 17.21 N ATOM 1070 CA ARG A 112 -32.367 1.250 -8.267 1.00 20.22 C ATOM 1071 C ARG A 112 -33.208 2.045 -9.288 1.00 18.85 C ATOM 1072 O ARG A 112 -34.337 1.643 -9.669 1.00 17.98 O ATOM 1073 CB ARG A 112 -32.504 1.866 -6.872 1.00 22.60 C ATOM 1074 CG ARG A 112 -33.952 1.864 -6.411 1.00 30.82 C ATOM 1075 CD ARG A 112 -34.063 2.304 -4.960 1.00 37.29 C ATOM 1076 NE ARG A 112 -33.271 3.510 -4.713 1.00 38.28 N ATOM 1077 CZ ARG A 112 -33.678 4.758 -5.006 1.00 48.44 C ATOM 1078 NH1 ARG A 112 -32.863 5.788 -4.704 1.00 48.89 N ATOM 1079 NH2 ARG A 112 -34.882 5.005 -5.612 1.00 42.06 N ATOM 1080 HE ARG A 112 -32.331 3.394 -4.282 1.00 0.00 H ATOM 1081 HH12 ARG A 112 -33.155 6.763 -4.920 1.00 0.00 H ATOM 1082 HH11 ARG A 112 -31.943 5.608 -4.255 1.00 0.00 H ATOM 1083 HH22 ARG A 112 -35.166 5.983 -5.825 1.00 0.00 H ATOM 1084 HH21 ARG A 112 -35.511 4.215 -5.859 1.00 0.00 H ATOM 1085 H ARG A 112 -30.235 1.632 -8.084 1.00 0.00 H ATOM 1086 N ASN A 113 -32.638 3.107 -9.805 1.00 20.65 N ATOM 1087 CA ASN A 113 -33.406 3.969 -10.726 1.00 20.75 C ATOM 1088 C ASN A 113 -33.391 3.595 -12.211 1.00 22.00 C ATOM 1089 O ASN A 113 -34.263 4.032 -12.932 1.00 22.10 O ATOM 1090 CB ASN A 113 -32.858 5.373 -10.570 1.00 20.98 C ATOM 1091 CG ASN A 113 -33.301 5.980 -9.283 1.00 21.76 C ATOM 1092 OD1 ASN A 113 -34.329 5.608 -8.803 1.00 23.73 O ATOM 1093 ND2 ASN A 113 -32.528 6.904 -8.719 1.00 22.44 N ATOM 1094 HD22 ASN A 113 -31.641 7.192 -9.180 1.00 0.00 H ATOM 1095 HD21 ASN A 113 -32.810 7.338 -7.817 1.00 0.00 H ATOM 1096 H ASN A 113 -31.653 3.340 -9.568 1.00 0.00 H ATOM 1097 N ARG A 114 -32.409 2.817 -12.658 1.00 21.19 N ATOM 1098 CA ARG A 114 -32.273 2.487 -14.023 1.00 19.70 C ATOM 1099 C ARG A 114 -32.216 1.006 -14.377 1.00 19.88 C ATOM 1100 O ARG A 114 -32.351 0.655 -15.536 1.00 19.50 O ATOM 1101 CB ARG A 114 -31.043 3.155 -14.508 1.00 21.64 C ATOM 1102 CG ARG A 114 -31.205 4.642 -14.220 1.00 25.52 C ATOM 1103 CD ARG A 114 -30.167 5.423 -14.880 1.00 25.91 C ATOM 1104 NE ARG A 114 -30.319 5.562 -16.302 1.00 22.73 N ATOM 1105 CZ ARG A 114 -29.469 6.306 -16.982 1.00 22.63 C ATOM 1106 NH1 ARG A 114 -28.492 6.875 -16.315 1.00 23.49 N ATOM 1107 NH2 ARG A 114 -29.564 6.425 -18.286 1.00 19.18 N ATOM 1108 HE ARG A 114 -31.097 5.077 -16.793 1.00 0.00 H ATOM 1109 HH12 ARG A 114 -27.800 7.470 -16.813 1.00 0.00 H ATOM 1110 HH11 ARG A 114 -28.410 6.731 -15.288 1.00 0.00 H ATOM 1111 HH22 ARG A 114 -28.884 7.016 -18.805 1.00 0.00 H ATOM 1112 HH21 ARG A 114 -30.319 5.928 -18.800 1.00 0.00 H ATOM 1113 H ARG A 114 -31.718 2.439 -11.978 1.00 0.00 H ATOM 1114 N CYS A 115 -31.989 0.161 -13.395 1.00 18.16 N ATOM 1115 CA CYS A 115 -31.840 -1.279 -13.662 1.00 17.93 C ATOM 1116 C CYS A 115 -32.894 -2.133 -12.971 1.00 18.54 C ATOM 1117 O CYS A 115 -33.419 -3.085 -13.571 1.00 19.15 O ATOM 1118 CB CYS A 115 -30.473 -1.722 -13.189 1.00 17.72 C ATOM 1119 SG CYS A 115 -29.060 -0.862 -13.984 1.00 19.25 S ATOM 1120 H CYS A 115 -31.914 0.514 -12.420 1.00 0.00 H ATOM 1121 N LYS A 116 -33.158 -1.831 -11.716 1.00 17.27 N ATOM 1122 CA LYS A 116 -34.109 -2.586 -10.940 1.00 18.64 C ATOM 1123 C LYS A 116 -35.449 -2.637 -11.694 1.00 18.88 C ATOM 1124 O LYS A 116 -35.990 -1.600 -12.123 1.00 20.31 O ATOM 1125 CB LYS A 116 -34.229 -1.915 -9.544 1.00 18.59 C ATOM 1126 CG LYS A 116 -35.150 -2.602 -8.529 1.00 19.32 C ATOM 1127 CD LYS A 116 -35.230 -1.823 -7.228 1.00 19.95 C ATOM 1128 CE LYS A 116 -35.839 -2.682 -6.128 1.00 19.94 C ATOM 1129 NZ LYS A 116 -35.932 -1.921 -4.867 1.00 18.84 N ATOM 1130 HZ1 LYS A 116 -34.980 -1.621 -4.574 1.00 0.00 H ATOM 1131 HZ2 LYS A 116 -36.531 -1.084 -5.012 1.00 0.00 H ATOM 1132 HZ3 LYS A 116 -36.350 -2.524 -4.130 1.00 0.00 H ATOM 1133 H LYS A 116 -32.668 -1.027 -11.274 1.00 0.00 H ATOM 1134 N GLY A 117 -36.005 -3.818 -11.854 1.00 20.11 N ATOM 1135 CA GLY A 117 -37.325 -3.901 -12.430 1.00 22.07 C ATOM 1136 C GLY A 117 -37.295 -3.941 -13.948 1.00 23.45 C ATOM 1137 O GLY A 117 -38.351 -3.907 -14.581 1.00 26.05 O ATOM 1138 H GLY A 117 -35.500 -4.681 -11.569 1.00 0.00 H ATOM 1139 N THR A 118 -36.111 -3.963 -14.552 1.00 21.18 N ATOM 1140 CA THR A 118 -35.980 -3.913 -15.981 1.00 23.19 C ATOM 1141 C THR A 118 -35.446 -5.261 -16.420 1.00 23.13 C ATOM 1142 O THR A 118 -34.992 -6.057 -15.601 1.00 25.47 O ATOM 1143 CB THR A 118 -35.057 -2.812 -16.515 1.00 24.54 C ATOM 1144 OG1 THR A 118 -33.681 -3.139 -16.226 1.00 21.86 O ATOM 1145 CG2 THR A 118 -35.428 -1.420 -15.947 1.00 24.26 C ATOM 1146 HG1 THR A 118 -33.561 -3.219 -15.247 1.00 0.00 H ATOM 1147 H THR A 118 -35.251 -4.018 -13.970 1.00 0.00 H ATOM 1148 N ASP A 119 -35.416 -5.504 -17.727 1.00 27.91 N ATOM 1149 CA ASP A 119 -34.913 -6.788 -18.267 1.00 27.96 C ATOM 1150 C ASP A 119 -33.395 -6.708 -18.372 1.00 25.65 C ATOM 1151 O ASP A 119 -32.832 -6.414 -19.437 1.00 25.89 O ATOM 1152 CB ASP A 119 -35.541 -7.037 -19.627 1.00 32.01 C ATOM 1153 CG ASP A 119 -35.055 -8.325 -20.286 1.00 35.23 C ATOM 1154 OD1 ASP A 119 -34.765 -9.269 -19.531 1.00 38.22 O ATOM 1155 OD2 ASP A 119 -34.945 -8.356 -21.538 1.00 44.03 O ATOM 1156 H ASP A 119 -35.754 -4.774 -18.386 1.00 0.00 H ATOM 1157 N VAL A 120 -32.752 -6.905 -17.239 1.00 25.17 N ATOM 1158 CA VAL A 120 -31.306 -6.653 -17.113 1.00 27.07 C ATOM 1159 C VAL A 120 -30.517 -7.744 -17.885 1.00 27.62 C ATOM 1160 O VAL A 120 -29.390 -7.584 -18.246 1.00 23.24 O ATOM 1161 CB VAL A 120 -30.826 -6.639 -15.641 1.00 23.58 C ATOM 1162 CG1 VAL A 120 -31.243 -5.388 -14.887 1.00 25.21 C ATOM 1163 CG2 VAL A 120 -31.304 -7.883 -14.913 1.00 27.14 C ATOM 1164 H VAL A 120 -33.280 -7.248 -16.411 1.00 0.00 H ATOM 1165 N GLN A 121 -31.144 -8.864 -18.149 1.00 26.21 N ATOM 1166 CA GLN A 121 -30.482 -9.850 -18.949 1.00 30.42 C ATOM 1167 C GLN A 121 -30.059 -9.336 -20.336 1.00 28.57 C ATOM 1168 O GLN A 121 -29.107 -9.900 -20.921 1.00 27.52 O ATOM 1169 CB GLN A 121 -31.391 -11.081 -19.065 1.00 38.39 C ATOM 1170 CG GLN A 121 -30.977 -12.004 -20.182 1.00 51.23 C ATOM 1171 CD GLN A 121 -31.806 -13.243 -20.164 1.00 64.77 C ATOM 1172 OE1 GLN A 121 -33.049 -13.173 -20.252 1.00 74.61 O ATOM 1173 NE2 GLN A 121 -31.137 -14.399 -20.014 1.00 69.68 N ATOM 1174 HE22 GLN A 121 -30.099 -14.394 -19.946 1.00 0.00 H ATOM 1175 HE21 GLN A 121 -31.657 -15.298 -19.966 1.00 0.00 H ATOM 1176 H GLN A 121 -32.103 -9.033 -17.785 1.00 0.00 H ATOM 1177 N ALA A 122 -30.762 -8.341 -20.879 1.00 24.23 N ATOM 1178 CA ALA A 122 -30.348 -7.690 -22.104 1.00 25.00 C ATOM 1179 C ALA A 122 -28.861 -7.226 -22.058 1.00 25.09 C ATOM 1180 O ALA A 122 -28.198 -7.242 -23.090 1.00 22.77 O ATOM 1181 CB ALA A 122 -31.251 -6.523 -22.466 1.00 26.10 C ATOM 1182 H ALA A 122 -31.633 -8.023 -20.408 1.00 0.00 H ATOM 1183 N TRP A 123 -28.347 -6.832 -20.876 1.00 21.13 N ATOM 1184 CA TRP A 123 -27.010 -6.349 -20.752 1.00 20.98 C ATOM 1185 C TRP A 123 -25.970 -7.417 -21.068 1.00 21.78 C ATOM 1186 O TRP A 123 -24.805 -7.068 -21.346 1.00 22.24 O ATOM 1187 CB TRP A 123 -26.794 -5.713 -19.349 1.00 20.50 C ATOM 1188 CG TRP A 123 -27.499 -4.409 -19.316 1.00 21.40 C ATOM 1189 CD1 TRP A 123 -28.719 -4.148 -18.765 1.00 23.97 C ATOM 1190 CD2 TRP A 123 -27.108 -3.220 -19.984 1.00 24.27 C ATOM 1191 NE1 TRP A 123 -29.112 -2.870 -19.038 1.00 20.96 N ATOM 1192 CE2 TRP A 123 -28.127 -2.254 -19.740 1.00 21.67 C ATOM 1193 CE3 TRP A 123 -25.967 -2.853 -20.742 1.00 24.47 C ATOM 1194 CZ2 TRP A 123 -28.089 -0.966 -20.256 1.00 25.04 C ATOM 1195 CZ3 TRP A 123 -25.935 -1.561 -21.283 1.00 24.95 C ATOM 1196 CH2 TRP A 123 -27.008 -0.636 -21.028 1.00 24.25 C ATOM 1197 HE1 TRP A 123 -30.016 -2.440 -18.755 1.00 0.00 H ATOM 1198 H TRP A 123 -28.945 -6.882 -20.026 1.00 0.00 H ATOM 1199 N ILE A 124 -26.347 -8.694 -20.965 1.00 22.01 N ATOM 1200 CA ILE A 124 -25.368 -9.793 -21.306 1.00 24.75 C ATOM 1201 C ILE A 124 -25.660 -10.539 -22.593 1.00 26.83 C ATOM 1202 O ILE A 124 -24.952 -11.537 -22.939 1.00 25.43 O ATOM 1203 CB ILE A 124 -25.121 -10.774 -20.133 1.00 25.42 C ATOM 1204 CG1 ILE A 124 -26.410 -11.568 -19.784 1.00 27.29 C ATOM 1205 CG2 ILE A 124 -24.582 -9.991 -18.948 1.00 24.58 C ATOM 1206 CD1 ILE A 124 -26.159 -12.713 -18.828 1.00 31.87 C ATOM 1207 H ILE A 124 -27.310 -8.931 -20.652 1.00 0.00 H ATOM 1208 N ARG A 125 -26.647 -10.063 -23.351 1.00 31.14 N ATOM 1209 CA ARG A 125 -26.982 -10.726 -24.622 1.00 39.08 C ATOM 1210 C ARG A 125 -25.810 -10.655 -25.573 1.00 33.80 C ATOM 1211 O ARG A 125 -25.140 -9.613 -25.685 1.00 29.98 O ATOM 1212 CB ARG A 125 -28.232 -10.128 -25.297 1.00 48.21 C ATOM 1213 CG ARG A 125 -29.522 -10.273 -24.486 1.00 61.73 C ATOM 1214 CD ARG A 125 -29.952 -11.712 -24.137 1.00 75.35 C ATOM 1215 NE ARG A 125 -29.081 -12.374 -23.147 1.00 79.45 N ATOM 1216 CZ ARG A 125 -29.153 -13.664 -22.823 1.00 82.80 C ATOM 1217 NH1 ARG A 125 -28.303 -14.179 -21.934 1.00 81.63 N ATOM 1218 NH2 ARG A 125 -30.068 -14.451 -23.390 1.00 85.86 N ATOM 1219 HE ARG A 125 -28.362 -11.794 -22.670 1.00 0.00 H ATOM 1220 HH12 ARG A 125 -28.361 -15.186 -21.682 1.00 0.00 H ATOM 1221 HH11 ARG A 125 -27.582 -13.573 -21.492 1.00 0.00 H ATOM 1222 HH22 ARG A 125 -30.119 -15.457 -23.133 1.00 0.00 H ATOM 1223 HH21 ARG A 125 -30.730 -14.058 -24.089 1.00 0.00 H ATOM 1224 H ARG A 125 -27.180 -9.224 -23.045 1.00 0.00 H ATOM 1225 N GLY A 126 -25.555 -11.767 -26.269 1.00 30.29 N ATOM 1226 CA GLY A 126 -24.500 -11.792 -27.250 1.00 28.21 C ATOM 1227 C GLY A 126 -23.170 -12.155 -26.650 1.00 29.24 C ATOM 1228 O GLY A 126 -22.255 -12.445 -27.388 1.00 35.58 O ATOM 1229 H GLY A 126 -26.123 -12.622 -26.101 1.00 0.00 H ATOM 1230 N CYS A 127 -23.012 -12.107 -25.336 1.00 26.74 N ATOM 1231 CA CYS A 127 -21.698 -12.322 -24.692 1.00 26.96 C ATOM 1232 C CYS A 127 -21.389 -13.814 -24.510 1.00 29.13 C ATOM 1233 O CYS A 127 -22.252 -14.591 -24.055 1.00 27.71 O ATOM 1234 CB CYS A 127 -21.619 -11.649 -23.316 1.00 28.32 C ATOM 1235 SG CYS A 127 -22.043 -9.879 -23.320 1.00 26.58 S ATOM 1236 H CYS A 127 -23.839 -11.912 -24.737 1.00 0.00 H ATOM 1237 N ARG A 128 -20.171 -14.210 -24.850 1.00 28.92 N ATOM 1238 CA ARG A 128 -19.680 -15.532 -24.445 1.00 31.40 C ATOM 1239 C ARG A 128 -19.247 -15.502 -23.042 1.00 35.00 C ATOM 1240 O ARG A 128 -18.293 -14.749 -22.687 1.00 38.17 O ATOM 1241 CB ARG A 128 -18.449 -15.936 -25.236 1.00 38.29 C ATOM 1242 CG ARG A 128 -18.670 -16.124 -26.694 1.00 39.16 C ATOM 1243 CD ARG A 128 -17.392 -16.527 -27.429 1.00 40.09 C ATOM 1244 NE ARG A 128 -17.555 -16.323 -28.868 1.00 45.84 N ATOM 1245 CZ ARG A 128 -16.947 -15.400 -29.615 1.00 50.67 C ATOM 1246 NH1 ARG A 128 -16.054 -14.557 -29.116 1.00 54.22 N ATOM 1247 NH2 ARG A 128 -17.216 -15.353 -30.907 1.00 57.64 N ATOM 1248 HE ARG A 128 -18.212 -16.963 -29.359 1.00 0.00 H ATOM 1249 HH12 ARG A 128 -15.603 -13.852 -29.733 1.00 0.00 H ATOM 1250 HH11 ARG A 128 -15.805 -14.601 -28.107 1.00 0.00 H ATOM 1251 HH22 ARG A 128 -16.754 -14.642 -31.509 1.00 0.00 H ATOM 1252 HH21 ARG A 128 -17.890 -16.027 -31.323 1.00 0.00 H ATOM 1253 H ARG A 128 -19.559 -13.580 -25.407 1.00 0.00 H ATOM 1254 N LEU A 129 -19.896 -16.323 -22.228 1.00 29.23 N ATOM 1255 CA LEU A 129 -19.698 -16.282 -20.803 1.00 35.58 C ATOM 1256 C LEU A 129 -19.582 -17.676 -20.245 1.00 37.66 C ATOM 1257 O LEU A 129 -19.797 -18.642 -20.972 1.00 43.82 O ATOM 1258 CB LEU A 129 -20.860 -15.539 -20.125 1.00 35.99 C ATOM 1259 CG LEU A 129 -20.897 -14.042 -20.427 1.00 36.63 C ATOM 1260 CD1 LEU A 129 -22.254 -13.509 -20.056 1.00 36.29 C ATOM 1261 CD2 LEU A 129 -19.813 -13.304 -19.666 1.00 34.96 C ATOM 1262 OXT LEU A 129 -19.272 -17.842 -19.072 1.00 44.68 O ATOM 1263 H LEU A 129 -20.564 -17.013 -22.628 1.00 0.00 H TER 1264 LEU A 129 HETATM 1265 NA NA A 1 -23.687 7.188 -8.365 1.00 52.59 NA HETATM 1266 NA NA A 2 -30.682 -8.226 -1.335 1.00 32.24 NA HETATM 1267 O HOH 3 -26.686 -14.507 -14.800 1.00 45.47 O HETATM 1268 O HOH 4 -13.786 7.128 3.591 1.00 20.60 O HETATM 1269 O HOH 5 -25.424 -0.174 1.948 1.00 44.07 O HETATM 1270 O HOH 6 -12.340 -5.030 0.237 1.00 34.98 O HETATM 1271 O HOH 7 -26.335 -2.493 0.370 1.00 31.98 O HETATM 1272 O HOH 8 -25.040 7.047 -12.422 1.00 35.45 O HETATM 1273 O HOH 9 -14.342 17.614 -6.501 1.00 41.23 O HETATM 1274 O HOH 10 -13.292 0.257 -11.134 1.00 27.94 O HETATM 1275 O HOH 11 -6.640 2.984 -14.377 1.00 33.79 O HETATM 1276 O HOH 12 -9.707 -6.873 -2.914 1.00 54.81 O HETATM 1277 O HOH 13 -17.319 0.248 -23.679 1.00 30.73 O HETATM 1278 O HOH 14 -7.940 -3.999 -8.277 1.00 28.63 O HETATM 1279 O HOH 15 -30.947 4.217 -3.680 1.00 43.32 O HETATM 1280 O HOH 16 -17.838 -12.123 -22.880 1.00 37.09 O HETATM 1281 O HOH 17 -23.051 12.097 4.391 1.00 26.48 O HETATM 1282 O HOH 18 -10.103 4.706 -18.605 1.00 17.05 O HETATM 1283 O HOH 19 -14.119 13.261 -1.539 1.00 20.64 O HETATM 1284 O HOH 20 -19.859 -15.410 -11.181 1.00 23.27 O HETATM 1285 O HOH 21 -33.124 1.130 -18.049 1.00 35.13 O HETATM 1286 O HOH 22 -20.744 -16.066 -6.525 1.00 46.16 O HETATM 1287 O HOH 23 -30.924 -14.488 -10.692 1.00 58.04 O HETATM 1288 O HOH 24 -12.557 10.599 -13.306 1.00 18.36 O HETATM 1289 O HOH 25 -11.240 -2.712 -22.996 1.00 34.33 O HETATM 1290 O HOH 26 -8.573 -9.937 -12.223 1.00 38.63 O HETATM 1291 O HOH 27 -21.011 16.144 4.653 1.00 34.15 O HETATM 1292 O HOH 28 -21.339 -6.219 4.509 1.00 36.36 O HETATM 1293 O HOH 29 -23.169 8.478 -4.609 1.00 45.75 O HETATM 1294 O HOH 30 -11.390 -1.147 -11.365 1.00 24.34 O HETATM 1295 O HOH 31 -20.019 18.453 -3.181 1.00 53.68 O HETATM 1296 O HOH 32 -35.470 1.064 -12.340 1.00 22.80 O HETATM 1297 O HOH 33 -22.253 8.345 -12.252 1.00 41.67 O HETATM 1298 O HOH 34 -33.219 -10.090 -22.742 1.00 32.94 O HETATM 1299 O HOH 35 -24.992 -14.268 -23.008 1.00 35.81 O HETATM 1300 O HOH 36 -7.385 -10.715 -9.424 1.00 48.45 O HETATM 1301 O HOH 37 -11.756 6.722 5.253 1.00 29.91 O HETATM 1302 O HOH 38 -21.642 8.570 -9.136 1.00 28.17 O HETATM 1303 O HOH 39 -27.895 -6.454 -25.696 1.00 51.96 O HETATM 1304 O HOH 40 -6.558 1.947 -16.631 1.00 15.82 O HETATM 1305 O HOH 41 -8.511 -5.524 -16.885 1.00 32.71 O HETATM 1306 O HOH 42 -18.457 -13.826 -0.295 1.00 51.88 O HETATM 1307 O HOH 43 -37.744 0.109 -5.475 1.00 32.27 O HETATM 1308 O HOH 44 -40.993 -3.968 -13.627 1.00 54.00 O HETATM 1309 O HOH 45 -33.815 -10.003 -16.982 1.00 48.43 O HETATM 1310 O HOH 46 -31.937 -2.926 -18.431 1.00 28.41 O HETATM 1311 O HOH 47 -14.125 -12.260 -3.489 1.00 61.68 O HETATM 1312 O HOH 48 -15.932 0.942 -8.355 1.00 15.86 O HETATM 1313 O HOH 49 -33.217 -6.419 -11.018 1.00 33.12 O HETATM 1314 O HOH 50 -35.678 -6.211 -10.371 1.00 10.65 O HETATM 1315 O HOH 51 -24.007 6.647 -3.149 1.00 56.12 O HETATM 1316 O HOH 52 -23.032 9.911 -0.095 1.00 44.31 O HETATM 1317 O HOH 53 -8.534 4.606 6.478 1.00 40.99 O HETATM 1318 O HOH 54 -27.510 7.065 -13.656 1.00 26.80 O HETATM 1319 O HOH 55 -37.137 3.499 -6.481 1.00 48.59 O HETATM 1320 O HOH 56 -18.572 2.470 -22.665 1.00 33.12 O HETATM 1321 O HOH 57 -27.352 7.333 -19.862 1.00 21.33 O HETATM 1322 O HOH 58 -7.841 -4.393 1.906 1.00 53.92 O HETATM 1323 O HOH 59 -16.958 15.278 3.371 1.00 41.91 O HETATM 1324 O HOH 60 -12.247 12.247 9.331 1.00 54.62 O HETATM 1325 O HOH 61 -23.759 7.859 -10.644 1.00 53.35 O HETATM 1326 O HOH 62 -12.201 18.687 -0.810 1.00 48.61 O HETATM 1327 O HOH 63 -16.903 7.493 -17.697 1.00 25.32 O HETATM 1328 O HOH 64 -6.955 16.434 1.783 1.00 49.49 O HETATM 1329 O HOH 65 -23.019 3.221 0.212 1.00 33.06 O HETATM 1330 O HOH 66 -15.322 -8.835 0.184 1.00 45.39 O HETATM 1331 O HOH 67 -11.425 -4.063 -2.081 1.00 38.80 O HETATM 1332 O HOH 68 -23.980 -15.263 -3.004 1.00 34.86 O HETATM 1333 O HOH 69 -11.210 0.836 8.083 1.00 61.64 O HETATM 1334 O HOH 70 -9.205 17.965 -3.137 1.00 29.90 O HETATM 1335 O HOH 71 -12.484 17.946 2.621 1.00 63.63 O HETATM 1336 O HOH 72 -5.235 3.467 -9.763 1.00 39.80 O HETATM 1337 O HOH 73 -21.051 12.507 -14.392 1.00 48.13 O HETATM 1338 O HOH 74 -6.537 -2.253 -7.367 1.00 42.73 O HETATM 1339 O HOH 75 -9.365 -13.781 -11.632 1.00 37.71 O HETATM 1340 O HOH 76 -14.095 14.342 -10.408 1.00 32.34 O HETATM 1341 O HOH 77 -9.320 1.632 -22.370 1.00 31.63 O HETATM 1342 O HOH 78 -18.914 -6.253 -25.865 1.00 31.05 O HETATM 1343 O HOH 79 -18.488 15.726 -9.852 1.00 37.39 O HETATM 1344 O HOH 80 -19.294 7.766 7.549 1.00 48.27 O HETATM 1345 O HOH 81 -10.674 -2.020 -8.806 1.00 24.14 O HETATM 1346 O HOH 82 -13.364 2.736 8.866 1.00 41.77 O HETATM 1347 O HOH 83 -19.510 -19.674 -13.051 1.00 44.93 O HETATM 1348 O HOH 84 -4.381 0.596 -13.685 1.00 35.67 O HETATM 1349 O HOH 85 -19.410 -1.710 -24.931 1.00 49.48 O HETATM 1350 O HOH 86 -14.270 -0.782 11.314 1.00 53.42 O HETATM 1351 O HOH 87 -23.843 -15.852 -17.540 1.00 56.16 O HETATM 1352 O HOH 88 -4.201 2.602 -5.519 1.00 35.56 O HETATM 1353 O HOH 89 -36.852 -3.524 -19.662 1.00 35.30 O HETATM 1354 O HOH 90 -32.825 -9.637 -12.122 1.00 21.30 O HETATM 1355 O HOH 91 -16.759 -6.488 -25.111 1.00 27.92 O HETATM 1356 O HOH 92 -6.548 2.826 -19.298 1.00 43.78 O HETATM 1357 O HOH 93 -12.634 10.200 7.860 1.00 49.50 O HETATM 1358 O HOH 94 -24.918 13.201 -4.272 1.00 35.76 O HETATM 1359 O HOH 95 -24.250 5.822 -18.960 1.00 47.12 O HETATM 1360 O HOH 96 -24.307 12.883 -1.283 1.00 35.25 O HETATM 1361 O HOH 97 -31.222 -10.720 -1.788 1.00 47.44 O HETATM 1362 O HOH 98 -5.509 -5.343 -15.638 1.00 52.09 O HETATM 1363 O HOH 99 -15.195 17.010 1.620 1.00 53.89 O HETATM 1364 O HOH 100 -22.450 7.272 -16.480 1.00 44.49 O HETATM 1365 O HOH 101 -7.598 10.046 6.043 1.00 51.31 O HETATM 1366 O HOH 102 -25.679 8.043 -9.248 1.00 41.35 O HETATM 1367 O HOH 103 -6.951 5.078 -20.404 1.00 58.92 O HETATM 1368 O HOH 104 -34.965 -7.243 -12.460 1.00 32.97 O HETATM 1369 O HOH 105 -22.471 17.294 -6.743 1.00 54.36 O HETATM 1370 O HOH 106 -3.160 -3.483 -13.149 1.00 62.51 O HETATM 1371 O HOH 107 -23.167 -8.864 -28.902 1.00 50.78 O HETATM 1372 O HOH 108 -9.697 -8.335 -19.047 1.00 26.62 O HETATM 1373 O HOH 109 -10.981 -2.107 7.001 1.00 67.91 O HETATM 1374 O HOH 110 -17.730 -15.398 -4.491 1.00 21.25 O HETATM 1375 O HOH 111 -24.717 5.362 -24.149 1.00 61.89 O HETATM 1376 O HOH 112 -28.323 1.825 0.871 1.00 59.82 O HETATM 1377 O HOH 113 -16.021 -15.899 -17.509 1.00 43.04 O HETATM 1378 O HOH 114 -24.318 -16.329 -21.707 1.00 53.50 O HETATM 1379 O HOH 115 -28.232 -15.503 -2.294 1.00 44.34 O HETATM 1380 O HOH 116 -5.306 -8.445 -8.417 1.00 47.05 O HETATM 1381 O HOH 117 -26.445 -15.805 -0.367 1.00 58.67 O HETATM 1382 O HOH 118 -38.984 -2.915 -9.783 1.00 47.80 O HETATM 1383 O HOH 119 -13.081 -5.772 -26.022 1.00 52.46 O HETATM 1384 O HOH 120 -4.995 9.240 2.498 1.00 26.63 O HETATM 1385 O HOH 121 -10.203 13.679 6.239 1.00 47.84 O HETATM 1386 O HOH 122 -11.093 5.933 8.004 1.00 47.94 O HETATM 1387 O HOH 123 -20.116 -17.934 -10.416 1.00 71.21 O HETATM 1388 O HOH 124 -34.077 -9.887 -13.918 1.00 53.14 O HETATM 1389 O HOH 125 -37.845 -7.797 -12.727 1.00 48.15 O HETATM 1390 O HOH 126 -38.386 -0.391 -8.518 1.00 46.39 O HETATM 1391 O HOH 127 -5.246 11.141 5.280 1.00 48.67 O HETATM 1392 O HOH 128 -5.540 -0.935 -19.744 1.00 47.68 O HETATM 1393 O HOH 129 -18.272 18.272 -9.331 1.00 50.48 O HETATM 1394 O HOH 130 -17.275 21.642 -5.252 1.00 52.71 O HETATM 1395 O HOH 131 -5.697 -2.189 -2.624 1.00 54.32 O HETATM 1396 N2 UNN A 132 -36.569 -11.511 -21.052 1.00 0.39 N HETATM 1397 C2 UNN A 132 -37.044 -12.699 -21.804 1.00 -0.12 C HETATM 1398 C1 UNN A 132 -35.845 -13.385 -22.423 1.00 -0.12 C HETATM 1399 N1 UNN A 132 -35.045 -12.390 -23.164 1.00 0.39 N HETATM 1400 H1 UNN A 132 -34.245 -12.843 -23.578 1.00 -0.12 H HETATM 1401 H3 UNN A 132 -35.610 -11.977 -23.889 1.00 -0.12 H HETATM 1402 C6 UNN A 132 -36.335 -14.508 -23.317 1.00 -0.07 C HETATM 1403 C5 UNN A 132 -37.056 -15.554 -22.474 1.00 -0.05 C HETATM 1404 C4 UNN A 132 -38.204 -14.955 -21.679 1.00 -0.05 C HETATM 1405 C3 UNN A 132 -37.781 -13.702 -20.913 1.00 -0.07 C HETATM 1406 H9 UNN A 132 -38.679 -13.218 -20.503 1.00 0.02 H HETATM 1407 H10 UNN A 132 -37.116 -13.999 -20.089 1.00 0.02 H HETATM 1408 H11 UNN A 132 -39.015 -14.690 -22.373 1.00 0.03 H HETATM 1409 H12 UNN A 132 -38.567 -15.705 -20.960 1.00 0.03 H HETATM 1410 H13 UNN A 132 -37.455 -16.333 -23.140 1.00 0.03 H HETATM 1411 H14 UNN A 132 -36.336 -16.003 -21.774 1.00 0.03 H HETATM 1412 H15 UNN A 132 -35.477 -14.974 -23.823 1.00 0.02 H HETATM 1413 H16 UNN A 132 -37.028 -14.102 -24.068 1.00 0.02 H HETATM 1414 H7 UNN A 132 -35.220 -13.815 -21.626 1.00 0.00 H HETATM 1415 H8 UNN A 132 -37.727 -12.365 -22.599 1.00 0.00 H HETATM 1416 H4 UNN A 132 -37.356 -11.042 -20.633 1.00 -0.12 H HETATM 1417 H6 UNN A 132 -35.929 -11.804 -20.330 1.00 -0.12 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 63 62 1235 CONECT 298 297 1119 CONECT 344 343 1265 CONECT 644 643 793 CONECT 759 758 908 CONECT 793 644 792 CONECT 908 759 907 CONECT 1119 298 1118 CONECT 1235 63 1234 CONECT 1265 344 CONECT 1396 0 1397 1416 1417 CONECT 1397 1396 1398 1405 1415 CONECT 1398 1397 1399 1402 1414 CONECT 1399 0 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 CONECT 1402 1398 1403 1412 1413 CONECT 1403 1402 1404 1410 1411 CONECT 1404 1403 1405 1408 1409 CONECT 1405 1397 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1404 CONECT 1409 1404 CONECT 1410 1403 CONECT 1411 1403 CONECT 1412 1402 CONECT 1413 1402 CONECT 1414 1398 CONECT 1415 1397 CONECT 1416 1396 CONECT 1417 1396 MASTER 0 0 0 0 0 0 0 0 1416 1 36 10 END
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Related entries of code: 4z46
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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129aa, >1AT5_1|Chain... at 98%
1at6
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129aa, >1AT6_1|Chain... at 100%
1bql
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129aa, >1BQL_3|Chain... at 96%
1dqj
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PDBbind
129aa, >1DQJ_3|Chain... at 100%
1dzb
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129aa, >1DZB_2|Chains... at 94%
1f3j
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PDBbind
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1mlc
RCSB PDB
PDBbind
129aa, >1MLC_3|Chains... at 100%
1p2c
RCSB PDB
PDBbind
129aa, >1P2C_3|Chains... at 100%
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RCSB PDB
PDBbind
129aa, >2IFF_3|Chain... at 99%
3g3a
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PDBbind
129aa, >3G3A_2|Chains... at 100%
3g3b
RCSB PDB
PDBbind
129aa, >3G3B_2|Chains... at 100%
3m18
RCSB PDB
PDBbind
129aa, >3M18_2|Chain... at 100%
4hp0
RCSB PDB
PDBbind
129aa, >4HP0_1|Chain... at 100%
4hpi
RCSB PDB
PDBbind
129aa, >4HPI_1|Chain... at 100%
4tun
RCSB PDB
PDBbind
129aa, >4TUN_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4z46
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Lysozyme C
Ligand Name
1PT
EC.Number
E.C.3.2.1.17 I
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=1.51mM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Dalton Trans Vol. 44: pp. 10392-10398
Ligand Properties
Formula
C
6
H
1
4
N
2
Pt
Molecular Weight
309.267
Exact Mass
309.080
No. of atoms
23
No. of bonds
24
Polar Surface Area
33.22
LOGP Value
0.67 (
Computed with XLOGP3
)
1.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
C1CC[C@@H]2[C@@H](C1)[NH2+][Pt][NH2+]2
InChI String
-
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):
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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