Browse entries in the PDBbind-CN Database
HEADER 5TGY_COMPLEX COMPND 5TGY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 SER GLU PHE GLU LYS LEU ARG GLN THR GLY ASP GLU LEU SEQRES 2 A 109 VAL GLN ALA PHE GLN ARG LEU ARG GLU ILE PHE ASP LYS SEQRES 3 A 109 GLY ASP ASP ASP SER LEU GLU GLN VAL LEU GLU GLU ILE SEQRES 4 A 109 GLU GLU LEU ILE GLN LYS HIS ARG GLN LEU PHE ASP ASN SEQRES 5 A 109 ARG GLN GLU ALA ALA ASP THR GLU ALA ALA LYS GLN GLY SEQRES 6 A 109 ASP GLN TRP VAL GLN LEU PHE GLN ARG PHE ARG GLU ALA SEQRES 7 A 109 ILE ASP LYS GLY ASP LYS ASP SER LEU GLU GLN LEU LEU SEQRES 8 A 109 GLU GLU LEU GLU GLN ALA LEU GLN LYS ILE ARG GLU LEU SEQRES 9 A 109 ALA GLU LYS LYS ASN HET UNN A 110 49 ATOM 1 N SER A 1 4.218 -6.994 -5.986 1.00 0.00 N ATOM 2 CA SER A 1 3.128 -7.918 -6.324 1.00 0.00 C ATOM 3 C SER A 1 2.307 -7.353 -7.470 1.00 0.00 C ATOM 4 O SER A 1 2.518 -7.718 -8.628 1.00 0.00 O ATOM 5 CB SER A 1 2.253 -8.186 -5.094 1.00 0.00 C ATOM 6 OG SER A 1 3.033 -8.677 -4.011 1.00 0.00 O ATOM 7 HG SER A 1 2.446 -8.842 -3.231 1.00 0.00 H ATOM 8 HN3 SER A 1 3.818 -6.077 -5.702 1.00 0.00 H ATOM 9 HN2 SER A 1 4.831 -6.864 -6.816 1.00 0.00 H ATOM 10 HN1 SER A 1 4.774 -7.389 -5.201 1.00 0.00 H ATOM 11 N GLU A 2 1.359 -6.462 -7.136 1.00 0.00 N ATOM 12 CA GLU A 2 0.550 -5.749 -8.127 1.00 0.00 C ATOM 13 C GLU A 2 -0.345 -6.691 -8.938 1.00 0.00 C ATOM 14 O GLU A 2 -1.013 -6.264 -9.881 1.00 0.00 O ATOM 15 CB GLU A 2 1.457 -4.918 -9.057 1.00 0.00 C ATOM 16 CG GLU A 2 1.985 -3.613 -8.441 1.00 0.00 C ATOM 17 CD GLU A 2 2.451 -3.754 -6.994 1.00 0.00 C ATOM 18 OE1 GLU A 2 1.860 -3.086 -6.114 1.00 0.00 O ATOM 19 OE2 GLU A 2 3.388 -4.535 -6.728 1.00 0.00 O ATOM 20 H GLU A 2 1.192 -6.270 -6.128 1.00 0.00 H ATOM 21 N PHE A 3 -0.387 -7.957 -8.539 1.00 0.00 N ATOM 22 CA PHE A 3 -1.186 -8.958 -9.229 1.00 0.00 C ATOM 23 C PHE A 3 -2.664 -8.674 -9.047 1.00 0.00 C ATOM 24 O PHE A 3 -3.476 -8.982 -9.913 1.00 0.00 O ATOM 25 CB PHE A 3 -0.846 -10.364 -8.730 1.00 0.00 C ATOM 26 CG PHE A 3 0.607 -10.718 -8.877 1.00 0.00 C ATOM 27 CD1 PHE A 3 1.382 -10.995 -7.764 1.00 0.00 C ATOM 28 CD2 PHE A 3 1.199 -10.765 -10.130 1.00 0.00 C ATOM 29 CE1 PHE A 3 2.720 -11.314 -7.896 1.00 0.00 C ATOM 30 CE2 PHE A 3 2.535 -11.083 -10.267 1.00 0.00 C ATOM 31 CZ PHE A 3 3.297 -11.358 -9.149 1.00 0.00 C ATOM 32 H PHE A 3 0.169 -8.242 -7.707 1.00 0.00 H ATOM 33 N GLU A 4 -3.003 -8.052 -7.929 1.00 0.00 N ATOM 34 CA GLU A 4 -4.376 -7.695 -7.647 1.00 0.00 C ATOM 35 C GLU A 4 -4.771 -6.522 -8.520 1.00 0.00 C ATOM 36 O GLU A 4 -5.855 -6.494 -9.098 1.00 0.00 O ATOM 37 CB GLU A 4 -4.544 -7.335 -6.167 1.00 0.00 C ATOM 38 CG GLU A 4 -5.926 -6.813 -5.812 1.00 0.00 C ATOM 39 CD GLU A 4 -6.075 -6.517 -4.340 1.00 0.00 C ATOM 40 OE1 GLU A 4 -5.448 -5.551 -3.851 1.00 0.00 O ATOM 41 OE2 GLU A 4 -6.828 -7.244 -3.659 1.00 0.00 O ATOM 42 H GLU A 4 -2.264 -7.814 -7.237 1.00 0.00 H ATOM 43 N LYS A 5 -3.859 -5.569 -8.639 1.00 0.00 N ATOM 44 CA LYS A 5 -4.084 -4.391 -9.447 1.00 0.00 C ATOM 45 C LYS A 5 -4.241 -4.779 -10.905 1.00 0.00 C ATOM 46 O LYS A 5 -5.184 -4.351 -11.567 1.00 0.00 O ATOM 47 CB LYS A 5 -2.944 -3.398 -9.267 1.00 0.00 C ATOM 48 CG LYS A 5 -2.769 -2.951 -7.830 1.00 0.00 C ATOM 49 CD LYS A 5 -1.660 -1.932 -7.692 1.00 0.00 C ATOM 50 CE LYS A 5 -1.498 -1.493 -6.248 1.00 0.00 C ATOM 51 NZ LYS A 5 -2.739 -0.885 -5.709 1.00 0.00 N ATOM 52 HZ1 LYS A 5 -2.989 -0.050 -6.277 1.00 0.00 H ATOM 53 HZ2 LYS A 5 -3.511 -1.580 -5.753 1.00 0.00 H ATOM 54 HZ3 LYS A 5 -2.583 -0.600 -4.721 1.00 0.00 H ATOM 55 H LYS A 5 -2.954 -5.671 -8.136 1.00 0.00 H ATOM 56 N LEU A 6 -3.297 -5.578 -11.416 1.00 0.00 N ATOM 57 CA LEU A 6 -3.397 -6.119 -12.771 1.00 0.00 C ATOM 58 C LEU A 6 -4.757 -6.760 -13.023 1.00 0.00 C ATOM 59 O LEU A 6 -5.316 -6.609 -14.104 1.00 0.00 O ATOM 60 CB LEU A 6 -2.292 -7.156 -13.016 1.00 0.00 C ATOM 61 CG LEU A 6 -0.854 -6.631 -12.996 1.00 0.00 C ATOM 62 CD1 LEU A 6 0.133 -7.784 -13.094 1.00 0.00 C ATOM 63 CD2 LEU A 6 -0.627 -5.647 -14.131 1.00 0.00 C ATOM 64 H LEU A 6 -2.470 -5.821 -10.834 1.00 0.00 H ATOM 65 N ARG A 7 -5.295 -7.445 -12.019 1.00 0.00 N ATOM 66 CA ARG A 7 -6.594 -8.097 -12.155 1.00 0.00 C ATOM 67 C ARG A 7 -7.722 -7.074 -12.224 1.00 0.00 C ATOM 68 O ARG A 7 -8.596 -7.167 -13.080 1.00 0.00 O ATOM 69 CB ARG A 7 -6.834 -9.093 -11.013 1.00 0.00 C ATOM 70 CG ARG A 7 -5.928 -10.317 -11.065 1.00 0.00 C ATOM 71 CD ARG A 7 -6.167 -11.240 -9.886 1.00 0.00 C ATOM 72 NE ARG A 7 -5.313 -12.434 -9.933 1.00 0.00 N ATOM 73 CZ ARG A 7 -5.634 -13.610 -9.381 1.00 0.00 C ATOM 74 NH1 ARG A 7 -6.775 -13.743 -8.714 1.00 0.00 N ATOM 75 NH2 ARG A 7 -4.808 -14.647 -9.489 1.00 0.00 N ATOM 76 HE ARG A 7 -4.401 -12.361 -10.427 1.00 0.00 H ATOM 77 HH12 ARG A 7 -7.023 -14.658 -8.285 1.00 0.00 H ATOM 78 HH11 ARG A 7 -7.420 -12.933 -8.620 1.00 0.00 H ATOM 79 HH22 ARG A 7 -5.060 -15.560 -9.059 1.00 0.00 H ATOM 80 HH21 ARG A 7 -3.910 -14.545 -10.004 1.00 0.00 H ATOM 81 H ARG A 7 -4.780 -7.518 -11.118 1.00 0.00 H ATOM 82 N GLN A 8 -7.671 -6.077 -11.352 1.00 0.00 N ATOM 83 CA GLN A 8 -8.706 -5.037 -11.302 1.00 0.00 C ATOM 84 C GLN A 8 -8.686 -4.184 -12.571 1.00 0.00 C ATOM 85 O GLN A 8 -9.729 -3.710 -13.032 1.00 0.00 O ATOM 86 CB GLN A 8 -8.503 -4.143 -10.073 1.00 0.00 C ATOM 87 CG GLN A 8 -8.491 -4.903 -8.754 1.00 0.00 C ATOM 88 CD GLN A 8 -8.172 -4.021 -7.553 1.00 0.00 C ATOM 89 OE1 GLN A 8 -8.623 -4.287 -6.437 1.00 0.00 O ATOM 90 NE2 GLN A 8 -7.389 -2.977 -7.766 1.00 0.00 N ATOM 91 HE22 GLN A 8 -7.028 -2.785 -8.722 1.00 0.00 H ATOM 92 HE21 GLN A 8 -7.135 -2.348 -6.978 1.00 0.00 H ATOM 93 H GLN A 8 -6.875 -6.030 -10.684 1.00 0.00 H ATOM 94 N THR A 9 -7.504 -4.009 -13.143 1.00 0.00 N ATOM 95 CA THR A 9 -7.351 -3.212 -14.348 1.00 0.00 C ATOM 96 C THR A 9 -7.558 -4.075 -15.582 1.00 0.00 C ATOM 97 O THR A 9 -7.829 -3.574 -16.672 1.00 0.00 O ATOM 98 CB THR A 9 -5.957 -2.557 -14.410 1.00 0.00 C ATOM 99 OG1 THR A 9 -4.942 -3.558 -14.220 1.00 0.00 O ATOM 100 CG2 THR A 9 -5.818 -1.490 -13.338 1.00 0.00 C ATOM 101 HG1 THR A 9 -5.065 -3.987 -13.336 1.00 0.00 H ATOM 102 H THR A 9 -6.665 -4.453 -12.719 1.00 0.00 H ATOM 103 N GLY A 10 -7.439 -5.375 -15.399 1.00 0.00 N ATOM 104 CA GLY A 10 -7.637 -6.291 -16.486 1.00 0.00 C ATOM 105 C GLY A 10 -9.098 -6.533 -16.693 1.00 0.00 C ATOM 106 O GLY A 10 -9.578 -6.553 -17.818 1.00 0.00 O ATOM 107 H GLY A 10 -7.199 -5.741 -14.456 1.00 0.00 H ATOM 108 N ASP A 11 -9.808 -6.703 -15.589 1.00 0.00 N ATOM 109 CA ASP A 11 -11.250 -6.893 -15.605 1.00 0.00 C ATOM 110 C ASP A 11 -11.939 -5.743 -16.308 1.00 0.00 C ATOM 111 O ASP A 11 -12.785 -5.952 -17.176 1.00 0.00 O ATOM 112 CB ASP A 11 -11.787 -7.018 -14.180 1.00 0.00 C ATOM 113 CG ASP A 11 -11.585 -8.393 -13.597 1.00 0.00 C ATOM 114 OD1 ASP A 11 -11.740 -9.388 -14.339 1.00 0.00 O ATOM 115 OD2 ASP A 11 -11.297 -8.489 -12.389 1.00 0.00 O ATOM 116 H ASP A 11 -9.315 -6.701 -14.673 1.00 0.00 H ATOM 117 N GLU A 12 -11.561 -4.527 -15.943 1.00 0.00 N ATOM 118 CA GLU A 12 -12.155 -3.348 -16.541 1.00 0.00 C ATOM 119 C GLU A 12 -11.819 -3.262 -18.034 1.00 0.00 C ATOM 120 O GLU A 12 -12.676 -2.910 -18.848 1.00 0.00 O ATOM 121 CB GLU A 12 -11.742 -2.076 -15.792 1.00 0.00 C ATOM 122 CG GLU A 12 -10.286 -1.687 -15.920 1.00 0.00 C ATOM 123 CD GLU A 12 -9.965 -0.460 -15.101 1.00 0.00 C ATOM 124 OE1 GLU A 12 -8.886 -0.413 -14.483 1.00 0.00 O ATOM 125 OE2 GLU A 12 -10.813 0.458 -15.045 1.00 0.00 O ATOM 126 H GLU A 12 -10.826 -4.417 -15.216 1.00 0.00 H ATOM 127 N LEU A 13 -10.576 -3.595 -18.382 1.00 0.00 N ATOM 128 CA LEU A 13 -10.138 -3.629 -19.776 1.00 0.00 C ATOM 129 C LEU A 13 -10.963 -4.651 -20.562 1.00 0.00 C ATOM 130 O LEU A 13 -11.452 -4.358 -21.651 1.00 0.00 O ATOM 131 CB LEU A 13 -8.622 -3.970 -19.831 1.00 0.00 C ATOM 132 CG LEU A 13 -7.928 -3.977 -21.216 1.00 0.00 C ATOM 133 CD1 LEU A 13 -8.238 -5.248 -21.996 1.00 0.00 C ATOM 134 CD2 LEU A 13 -8.316 -2.749 -22.021 1.00 0.00 C ATOM 135 H LEU A 13 -9.894 -3.839 -17.636 1.00 0.00 H ATOM 136 N VAL A 14 -11.130 -5.834 -19.993 1.00 0.00 N ATOM 137 CA VAL A 14 -11.906 -6.889 -20.632 1.00 0.00 C ATOM 138 C VAL A 14 -13.362 -6.463 -20.781 1.00 0.00 C ATOM 139 O VAL A 14 -13.973 -6.667 -21.823 1.00 0.00 O ATOM 140 CB VAL A 14 -11.819 -8.208 -19.833 1.00 0.00 C ATOM 141 CG1 VAL A 14 -12.748 -9.263 -20.418 1.00 0.00 C ATOM 142 CG2 VAL A 14 -10.384 -8.711 -19.816 1.00 0.00 C ATOM 143 H VAL A 14 -10.696 -6.016 -19.065 1.00 0.00 H ATOM 144 N GLN A 15 -13.898 -5.861 -19.734 1.00 0.00 N ATOM 145 CA GLN A 15 -15.252 -5.348 -19.744 1.00 0.00 C ATOM 146 C GLN A 15 -15.441 -4.330 -20.878 1.00 0.00 C ATOM 147 O GLN A 15 -16.459 -4.341 -21.576 1.00 0.00 O ATOM 148 CB GLN A 15 -15.548 -4.707 -18.400 1.00 0.00 C ATOM 149 CG GLN A 15 -16.911 -4.088 -18.302 1.00 0.00 C ATOM 150 CD GLN A 15 -17.133 -3.434 -16.965 1.00 0.00 C ATOM 151 OE1 GLN A 15 -16.821 -2.259 -16.780 1.00 0.00 O ATOM 152 NE2 GLN A 15 -17.665 -4.182 -16.026 1.00 0.00 N ATOM 153 HE22 GLN A 15 -17.913 -5.172 -16.228 1.00 0.00 H ATOM 154 HE21 GLN A 15 -17.838 -3.785 -15.081 1.00 0.00 H ATOM 155 H GLN A 15 -13.327 -5.752 -18.872 1.00 0.00 H ATOM 156 N ALA A 16 -14.446 -3.470 -21.066 1.00 0.00 N ATOM 157 CA ALA A 16 -14.478 -2.481 -22.138 1.00 0.00 C ATOM 158 C ALA A 16 -14.377 -3.176 -23.492 1.00 0.00 C ATOM 159 O ALA A 16 -15.006 -2.769 -24.465 1.00 0.00 O ATOM 160 CB ALA A 16 -13.352 -1.473 -21.968 1.00 0.00 C ATOM 161 H ALA A 16 -13.622 -3.503 -20.432 1.00 0.00 H ATOM 162 N PHE A 17 -13.587 -4.237 -23.529 1.00 0.00 N ATOM 163 CA PHE A 17 -13.416 -5.043 -24.730 1.00 0.00 C ATOM 164 C PHE A 17 -14.738 -5.722 -25.100 1.00 0.00 C ATOM 165 O PHE A 17 -15.100 -5.814 -26.273 1.00 0.00 O ATOM 166 CB PHE A 17 -12.311 -6.085 -24.521 1.00 0.00 C ATOM 167 CG PHE A 17 -12.092 -6.992 -25.698 1.00 0.00 C ATOM 168 CD1 PHE A 17 -11.369 -6.561 -26.798 1.00 0.00 C ATOM 169 CD2 PHE A 17 -12.606 -8.277 -25.700 1.00 0.00 C ATOM 170 CE1 PHE A 17 -11.164 -7.398 -27.879 1.00 0.00 C ATOM 171 CE2 PHE A 17 -12.407 -9.116 -26.773 1.00 0.00 C ATOM 172 CZ PHE A 17 -11.684 -8.677 -27.866 1.00 0.00 C ATOM 173 H PHE A 17 -13.069 -4.505 -22.668 1.00 0.00 H ATOM 174 N GLN A 18 -15.458 -6.185 -24.085 1.00 0.00 N ATOM 175 CA GLN A 18 -16.758 -6.813 -24.283 1.00 0.00 C ATOM 176 C GLN A 18 -17.749 -5.783 -24.809 1.00 0.00 C ATOM 177 O GLN A 18 -18.591 -6.082 -25.656 1.00 0.00 O ATOM 178 CB GLN A 18 -17.260 -7.412 -22.969 1.00 0.00 C ATOM 179 CG GLN A 18 -16.407 -8.560 -22.453 1.00 0.00 C ATOM 180 CD GLN A 18 -16.768 -8.971 -21.040 1.00 0.00 C ATOM 181 OE1 GLN A 18 -17.201 -8.148 -20.230 1.00 0.00 O ATOM 182 NE2 GLN A 18 -16.596 -10.239 -20.734 1.00 0.00 N ATOM 183 HE22 GLN A 18 -16.228 -10.901 -21.447 1.00 0.00 H ATOM 184 HE21 GLN A 18 -16.828 -10.580 -19.779 1.00 0.00 H ATOM 185 H GLN A 18 -15.083 -6.097 -23.119 1.00 0.00 H ATOM 186 N ARG A 19 -17.628 -4.565 -24.305 1.00 0.00 N ATOM 187 CA ARG A 19 -18.455 -3.453 -24.750 1.00 0.00 C ATOM 188 C ARG A 19 -18.130 -3.117 -26.204 1.00 0.00 C ATOM 189 O ARG A 19 -19.011 -2.762 -26.993 1.00 0.00 O ATOM 190 CB ARG A 19 -18.210 -2.233 -23.852 1.00 0.00 C ATOM 191 CG ARG A 19 -18.971 -0.986 -24.265 1.00 0.00 C ATOM 192 CD ARG A 19 -20.466 -1.231 -24.283 1.00 0.00 C ATOM 193 NE ARG A 19 -21.207 -0.029 -24.632 1.00 0.00 N ATOM 194 CZ ARG A 19 -22.475 -0.014 -25.020 1.00 0.00 C ATOM 195 NH1 ARG A 19 -23.155 -1.153 -25.147 1.00 0.00 N ATOM 196 NH2 ARG A 19 -23.065 1.141 -25.289 1.00 0.00 N ATOM 197 HE ARG A 19 -20.708 0.882 -24.573 1.00 0.00 H ATOM 198 HH12 ARG A 19 -24.149 -1.134 -25.452 1.00 0.00 H ATOM 199 HH11 ARG A 19 -22.692 -2.061 -24.941 1.00 0.00 H ATOM 200 HH22 ARG A 19 -24.059 1.159 -25.594 1.00 0.00 H ATOM 201 HH21 ARG A 19 -22.534 2.030 -25.196 1.00 0.00 H ATOM 202 H ARG A 19 -16.917 -4.397 -23.565 1.00 0.00 H ATOM 203 N LEU A 20 -16.857 -3.260 -26.542 1.00 0.00 N ATOM 204 CA LEU A 20 -16.368 -2.994 -27.885 1.00 0.00 C ATOM 205 C LEU A 20 -17.026 -3.944 -28.874 1.00 0.00 C ATOM 206 O LEU A 20 -17.351 -3.564 -29.997 1.00 0.00 O ATOM 207 CB LEU A 20 -14.851 -3.172 -27.938 1.00 0.00 C ATOM 208 CG LEU A 20 -14.180 -2.777 -29.250 1.00 0.00 C ATOM 209 CD1 LEU A 20 -14.183 -1.269 -29.413 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.762 -3.327 -29.317 1.00 0.00 C ATOM 211 H LEU A 20 -16.181 -3.575 -25.818 1.00 0.00 H ATOM 212 N ARG A 21 -17.236 -5.180 -28.433 1.00 0.00 N ATOM 213 CA ARG A 21 -17.850 -6.202 -29.265 1.00 0.00 C ATOM 214 C ARG A 21 -19.275 -5.806 -29.650 1.00 0.00 C ATOM 215 O ARG A 21 -19.662 -5.917 -30.809 1.00 0.00 O ATOM 216 CB ARG A 21 -17.857 -7.558 -28.540 1.00 0.00 C ATOM 217 CG ARG A 21 -18.559 -8.665 -29.316 1.00 0.00 C ATOM 218 CD ARG A 21 -17.786 -9.054 -30.568 1.00 0.00 C ATOM 219 NE ARG A 21 -18.675 -9.505 -31.637 1.00 0.00 N ATOM 220 CZ ARG A 21 -18.421 -10.515 -32.476 1.00 0.00 C ATOM 221 NH1 ARG A 21 -17.342 -11.284 -32.313 1.00 0.00 N ATOM 222 NH2 ARG A 21 -19.260 -10.763 -33.467 1.00 0.00 N ATOM 223 HE ARG A 21 -19.577 -9.000 -31.754 1.00 0.00 H ATOM 224 HH12 ARG A 21 -17.156 -12.066 -32.973 1.00 0.00 H ATOM 225 HH11 ARG A 21 -16.687 -11.101 -31.526 1.00 0.00 H ATOM 226 HH22 ARG A 21 -19.071 -11.546 -34.125 1.00 0.00 H ATOM 227 HH21 ARG A 21 -20.109 -10.175 -33.589 1.00 0.00 H ATOM 228 H ARG A 21 -16.952 -5.424 -27.463 1.00 0.00 H ATOM 229 N GLU A 22 -20.035 -5.316 -28.673 1.00 0.00 N ATOM 230 CA GLU A 22 -21.430 -4.937 -28.906 1.00 0.00 C ATOM 231 C GLU A 22 -21.510 -3.843 -29.951 1.00 0.00 C ATOM 232 O GLU A 22 -22.249 -3.951 -30.926 1.00 0.00 O ATOM 233 CB GLU A 22 -22.068 -4.432 -27.614 1.00 0.00 C ATOM 234 CG GLU A 22 -21.734 -5.257 -26.392 1.00 0.00 C ATOM 235 CD GLU A 22 -22.568 -4.870 -25.201 1.00 0.00 C ATOM 236 OE1 GLU A 22 -22.419 -3.735 -24.700 1.00 0.00 O ATOM 237 OE2 GLU A 22 -23.385 -5.702 -24.759 1.00 0.00 O ATOM 238 H GLU A 22 -19.629 -5.200 -27.723 1.00 0.00 H ATOM 239 N ILE A 23 -20.747 -2.793 -29.736 1.00 0.00 N ATOM 240 CA ILE A 23 -20.658 -1.683 -30.666 1.00 0.00 C ATOM 241 C ILE A 23 -20.206 -2.149 -32.055 1.00 0.00 C ATOM 242 O ILE A 23 -20.664 -1.629 -33.077 1.00 0.00 O ATOM 243 CB ILE A 23 -19.700 -0.614 -30.122 1.00 0.00 C ATOM 244 CG1 ILE A 23 -20.207 -0.117 -28.769 1.00 0.00 C ATOM 245 CG2 ILE A 23 -19.577 0.539 -31.098 1.00 0.00 C ATOM 246 CD1 ILE A 23 -19.265 0.825 -28.076 1.00 0.00 C ATOM 247 H ILE A 23 -20.184 -2.757 -28.862 1.00 0.00 H ATOM 248 N PHE A 24 -19.329 -3.140 -32.077 1.00 0.00 N ATOM 249 CA PHE A 24 -18.818 -3.682 -33.327 1.00 0.00 C ATOM 250 C PHE A 24 -19.949 -4.391 -34.074 1.00 0.00 C ATOM 251 O PHE A 24 -20.147 -4.185 -35.273 1.00 0.00 O ATOM 252 CB PHE A 24 -17.658 -4.652 -33.062 1.00 0.00 C ATOM 253 CG PHE A 24 -17.009 -5.186 -34.311 1.00 0.00 C ATOM 254 CD1 PHE A 24 -16.014 -4.466 -34.951 1.00 0.00 C ATOM 255 CD2 PHE A 24 -17.392 -6.409 -34.843 1.00 0.00 C ATOM 256 CE1 PHE A 24 -15.414 -4.952 -36.096 1.00 0.00 C ATOM 257 CE2 PHE A 24 -16.796 -6.900 -35.989 1.00 0.00 C ATOM 258 CZ PHE A 24 -15.806 -6.170 -36.616 1.00 0.00 C ATOM 259 H PHE A 24 -18.996 -3.542 -31.177 1.00 0.00 H ATOM 260 N ASP A 25 -20.688 -5.225 -33.350 1.00 0.00 N ATOM 261 CA ASP A 25 -21.840 -5.935 -33.915 1.00 0.00 C ATOM 262 C ASP A 25 -22.931 -4.959 -34.356 1.00 0.00 C ATOM 263 O ASP A 25 -23.719 -5.257 -35.256 1.00 0.00 O ATOM 264 CB ASP A 25 -22.428 -6.929 -32.903 1.00 0.00 C ATOM 265 CG ASP A 25 -21.494 -8.075 -32.570 1.00 0.00 C ATOM 266 OD1 ASP A 25 -21.098 -8.813 -33.487 1.00 0.00 O ATOM 267 OD2 ASP A 25 -21.180 -8.269 -31.380 1.00 0.00 O ATOM 268 H ASP A 25 -20.442 -5.379 -32.351 1.00 0.00 H ATOM 269 N LYS A 26 -22.978 -3.799 -33.717 1.00 0.00 N ATOM 270 CA LYS A 26 -23.975 -2.781 -34.038 1.00 0.00 C ATOM 271 C LYS A 26 -23.478 -1.836 -35.129 1.00 0.00 C ATOM 272 O LYS A 26 -24.219 -0.970 -35.587 1.00 0.00 O ATOM 273 CB LYS A 26 -24.355 -1.981 -32.784 1.00 0.00 C ATOM 274 CG LYS A 26 -25.138 -2.777 -31.747 1.00 0.00 C ATOM 275 CD LYS A 26 -26.525 -3.142 -32.255 1.00 0.00 C ATOM 276 CE LYS A 26 -27.291 -3.973 -31.238 1.00 0.00 C ATOM 277 NZ LYS A 26 -28.669 -4.277 -31.694 1.00 0.00 N ATOM 278 HZ1 LYS A 26 -29.187 -3.388 -31.844 1.00 0.00 H ATOM 279 HZ2 LYS A 26 -28.628 -4.811 -32.586 1.00 0.00 H ATOM 280 HZ3 LYS A 26 -29.155 -4.845 -30.971 1.00 0.00 H ATOM 281 H LYS A 26 -22.285 -3.608 -32.965 1.00 0.00 H ATOM 282 N GLY A 27 -22.228 -2.019 -35.547 1.00 0.00 N ATOM 283 CA GLY A 27 -21.643 -1.172 -36.578 1.00 0.00 C ATOM 284 C GLY A 27 -21.664 0.314 -36.247 1.00 0.00 C ATOM 285 O GLY A 27 -21.699 1.149 -37.153 1.00 0.00 O ATOM 286 H GLY A 27 -21.657 -2.782 -35.129 1.00 0.00 H ATOM 287 N ASP A 28 -21.643 0.655 -34.965 1.00 0.00 N ATOM 288 CA ASP A 28 -21.695 2.059 -34.568 1.00 0.00 C ATOM 289 C ASP A 28 -20.293 2.630 -34.413 1.00 0.00 C ATOM 290 O ASP A 28 -19.722 2.638 -33.321 1.00 0.00 O ATOM 291 CB ASP A 28 -22.502 2.248 -33.282 1.00 0.00 C ATOM 292 CG ASP A 28 -22.822 3.709 -33.014 1.00 0.00 C ATOM 293 OD1 ASP A 28 -21.940 4.441 -32.531 1.00 0.00 O ATOM 294 OD2 ASP A 28 -23.966 4.131 -33.279 1.00 0.00 O ATOM 295 H ASP A 28 -21.589 -0.085 -34.236 1.00 0.00 H ATOM 296 N ASP A 29 -19.732 3.072 -35.526 1.00 0.00 N ATOM 297 CA ASP A 29 -18.382 3.642 -35.560 1.00 0.00 C ATOM 298 C ASP A 29 -18.228 4.834 -34.613 1.00 0.00 C ATOM 299 O ASP A 29 -17.127 5.103 -34.120 1.00 0.00 O ATOM 300 CB ASP A 29 -18.019 4.076 -36.985 1.00 0.00 C ATOM 301 CG ASP A 29 -17.932 2.922 -37.961 1.00 0.00 C ATOM 302 OD1 ASP A 29 -18.960 2.587 -38.596 1.00 0.00 O ATOM 303 OD2 ASP A 29 -16.837 2.355 -38.122 1.00 0.00 O ATOM 304 H ASP A 29 -20.271 3.013 -36.414 1.00 0.00 H ATOM 305 N ASP A 30 -19.319 5.547 -34.363 1.00 0.00 N ATOM 306 CA ASP A 30 -19.286 6.732 -33.497 1.00 0.00 C ATOM 307 C ASP A 30 -18.939 6.354 -32.070 1.00 0.00 C ATOM 308 O ASP A 30 -18.059 6.954 -31.446 1.00 0.00 O ATOM 309 CB ASP A 30 -20.642 7.437 -33.508 1.00 0.00 C ATOM 310 CG ASP A 30 -21.011 7.968 -34.866 1.00 0.00 C ATOM 311 OD1 ASP A 30 -20.539 9.060 -35.230 1.00 0.00 O ATOM 312 OD2 ASP A 30 -21.775 7.296 -35.578 1.00 0.00 O ATOM 313 H ASP A 30 -20.221 5.259 -34.792 1.00 0.00 H ATOM 314 N SER A 31 -19.630 5.365 -31.560 1.00 0.00 N ATOM 315 CA SER A 31 -19.412 4.887 -30.217 1.00 0.00 C ATOM 316 C SER A 31 -18.107 4.095 -30.146 1.00 0.00 C ATOM 317 O SER A 31 -17.401 4.114 -29.131 1.00 0.00 O ATOM 318 CB SER A 31 -20.599 4.021 -29.785 1.00 0.00 C ATOM 319 OG SER A 31 -20.611 3.805 -28.386 1.00 0.00 O ATOM 320 HG SER A 31 -21.390 3.243 -28.147 1.00 0.00 H ATOM 321 H SER A 31 -20.360 4.909 -32.143 1.00 0.00 H ATOM 322 N LEU A 32 -17.777 3.433 -31.251 1.00 0.00 N ATOM 323 CA LEU A 32 -16.590 2.594 -31.344 1.00 0.00 C ATOM 324 C LEU A 32 -15.317 3.399 -31.091 1.00 0.00 C ATOM 325 O LEU A 32 -14.455 2.970 -30.329 1.00 0.00 O ATOM 326 CB LEU A 32 -16.529 1.961 -32.740 1.00 0.00 C ATOM 327 CG LEU A 32 -15.520 0.831 -32.935 1.00 0.00 C ATOM 328 CD1 LEU A 32 -15.988 -0.429 -32.228 1.00 0.00 C ATOM 329 CD2 LEU A 32 -15.300 0.564 -34.416 1.00 0.00 C ATOM 330 H LEU A 32 -18.393 3.518 -32.085 1.00 0.00 H ATOM 331 N GLU A 33 -15.215 4.575 -31.705 1.00 0.00 N ATOM 332 CA GLU A 33 -14.027 5.412 -31.539 1.00 0.00 C ATOM 333 C GLU A 33 -13.830 5.818 -30.085 1.00 0.00 C ATOM 334 O GLU A 33 -12.715 5.773 -29.566 1.00 0.00 O ATOM 335 CB GLU A 33 -14.092 6.656 -32.416 1.00 0.00 C ATOM 336 CG GLU A 33 -13.926 6.382 -33.897 1.00 0.00 C ATOM 337 CD GLU A 33 -13.698 7.651 -34.680 1.00 0.00 C ATOM 338 OE1 GLU A 33 -14.666 8.186 -35.249 1.00 0.00 O ATOM 339 OE2 GLU A 33 -12.548 8.134 -34.710 1.00 0.00 O ATOM 340 H GLU A 33 -15.992 4.904 -32.313 1.00 0.00 H ATOM 341 N GLN A 34 -14.918 6.186 -29.429 1.00 0.00 N ATOM 342 CA GLN A 34 -14.867 6.613 -28.040 1.00 0.00 C ATOM 343 C GLN A 34 -14.390 5.475 -27.145 1.00 0.00 C ATOM 344 O GLN A 34 -13.551 5.669 -26.257 1.00 0.00 O ATOM 345 CB GLN A 34 -16.245 7.088 -27.589 1.00 0.00 C ATOM 346 CG GLN A 34 -16.298 7.534 -26.140 1.00 0.00 C ATOM 347 CD GLN A 34 -17.698 7.878 -25.698 1.00 0.00 C ATOM 348 OE1 GLN A 34 -18.676 7.319 -26.196 1.00 0.00 O ATOM 349 NE2 GLN A 34 -17.810 8.793 -24.763 1.00 0.00 N ATOM 350 HE22 GLN A 34 -16.958 9.241 -24.369 1.00 0.00 H ATOM 351 HE21 GLN A 34 -18.751 9.070 -24.417 1.00 0.00 H ATOM 352 H GLN A 34 -15.835 6.169 -29.920 1.00 0.00 H ATOM 353 N VAL A 35 -14.919 4.289 -27.390 1.00 0.00 N ATOM 354 CA VAL A 35 -14.559 3.118 -26.618 1.00 0.00 C ATOM 355 C VAL A 35 -13.129 2.669 -26.919 1.00 0.00 C ATOM 356 O VAL A 35 -12.418 2.230 -26.023 1.00 0.00 O ATOM 357 CB VAL A 35 -15.567 1.967 -26.848 1.00 0.00 C ATOM 358 CG1 VAL A 35 -15.078 0.665 -26.231 1.00 0.00 C ATOM 359 CG2 VAL A 35 -16.913 2.350 -26.260 1.00 0.00 C ATOM 360 H VAL A 35 -15.613 4.194 -28.159 1.00 0.00 H ATOM 361 N LEU A 36 -12.697 2.814 -28.172 1.00 0.00 N ATOM 362 CA LEU A 36 -11.327 2.451 -28.550 1.00 0.00 C ATOM 363 C LEU A 36 -10.326 3.285 -27.767 1.00 0.00 C ATOM 364 O LEU A 36 -9.264 2.797 -27.373 1.00 0.00 O ATOM 365 CB LEU A 36 -11.100 2.653 -30.054 1.00 0.00 C ATOM 366 CG LEU A 36 -11.791 1.654 -30.983 1.00 0.00 C ATOM 367 CD1 LEU A 36 -11.639 2.088 -32.431 1.00 0.00 C ATOM 368 CD2 LEU A 36 -11.218 0.258 -30.788 1.00 0.00 C ATOM 369 H LEU A 36 -13.343 3.191 -28.894 1.00 0.00 H ATOM 370 N GLU A 37 -10.672 4.540 -27.534 1.00 0.00 N ATOM 371 CA GLU A 37 -9.829 5.429 -26.761 1.00 0.00 C ATOM 372 C GLU A 37 -9.838 5.017 -25.297 1.00 0.00 C ATOM 373 O GLU A 37 -8.804 5.007 -24.642 1.00 0.00 O ATOM 374 CB GLU A 37 -10.293 6.874 -26.912 1.00 0.00 C ATOM 375 CG GLU A 37 -10.157 7.411 -28.323 1.00 0.00 C ATOM 376 CD GLU A 37 -8.731 7.357 -28.823 1.00 0.00 C ATOM 377 OE1 GLU A 37 -8.442 6.555 -29.735 1.00 0.00 O ATOM 378 OE2 GLU A 37 -7.888 8.111 -28.304 1.00 0.00 O ATOM 379 H GLU A 37 -11.571 4.897 -27.915 1.00 0.00 H ATOM 380 N GLU A 38 -11.017 4.643 -24.803 1.00 0.00 N ATOM 381 CA GLU A 38 -11.178 4.202 -23.421 1.00 0.00 C ATOM 382 C GLU A 38 -10.347 2.943 -23.185 1.00 0.00 C ATOM 383 O GLU A 38 -9.658 2.810 -22.172 1.00 0.00 O ATOM 384 CB GLU A 38 -12.660 3.905 -23.142 1.00 0.00 C ATOM 385 CG GLU A 38 -12.969 3.561 -21.694 1.00 0.00 C ATOM 386 CD GLU A 38 -12.897 4.762 -20.780 1.00 0.00 C ATOM 387 OE1 GLU A 38 -13.948 5.153 -20.225 1.00 0.00 O ATOM 388 OE2 GLU A 38 -11.800 5.322 -20.611 1.00 0.00 O ATOM 389 H GLU A 38 -11.851 4.666 -25.423 1.00 0.00 H ATOM 390 N ILE A 39 -10.411 2.042 -24.152 1.00 0.00 N ATOM 391 CA ILE A 39 -9.670 0.796 -24.097 1.00 0.00 C ATOM 392 C ILE A 39 -8.172 1.069 -24.096 1.00 0.00 C ATOM 393 O ILE A 39 -7.443 0.521 -23.277 1.00 0.00 O ATOM 394 CB ILE A 39 -10.035 -0.153 -25.266 1.00 0.00 C ATOM 395 CG1 ILE A 39 -11.491 -0.600 -25.140 1.00 0.00 C ATOM 396 CG2 ILE A 39 -9.107 -1.365 -25.292 1.00 0.00 C ATOM 397 CD1 ILE A 39 -11.940 -1.536 -26.234 1.00 0.00 C ATOM 398 H ILE A 39 -11.012 2.233 -24.979 1.00 0.00 H ATOM 399 N GLU A 40 -7.725 1.940 -25.000 1.00 0.00 N ATOM 400 CA GLU A 40 -6.312 2.304 -25.087 1.00 0.00 C ATOM 401 C GLU A 40 -5.815 2.864 -23.753 1.00 0.00 C ATOM 402 O GLU A 40 -4.722 2.530 -23.302 1.00 0.00 O ATOM 403 CB GLU A 40 -6.105 3.339 -26.199 1.00 0.00 C ATOM 404 CG GLU A 40 -4.912 3.057 -27.110 1.00 0.00 C ATOM 405 CD GLU A 40 -3.583 3.063 -26.384 1.00 0.00 C ATOM 406 OE1 GLU A 40 -2.963 4.145 -26.272 1.00 0.00 O ATOM 407 OE2 GLU A 40 -3.136 1.988 -25.946 1.00 0.00 O ATOM 408 H GLU A 40 -8.400 2.373 -25.662 1.00 0.00 H ATOM 409 N GLU A 41 -6.642 3.678 -23.103 1.00 0.00 N ATOM 410 CA GLU A 41 -6.271 4.262 -21.823 1.00 0.00 C ATOM 411 C GLU A 41 -6.147 3.174 -20.765 1.00 0.00 C ATOM 412 O GLU A 41 -5.241 3.202 -19.929 1.00 0.00 O ATOM 413 CB GLU A 41 -7.302 5.303 -21.375 1.00 0.00 C ATOM 414 CG GLU A 41 -7.483 6.462 -22.342 1.00 0.00 C ATOM 415 CD GLU A 41 -6.190 7.175 -22.650 1.00 0.00 C ATOM 416 OE1 GLU A 41 -5.623 7.806 -21.734 1.00 0.00 O ATOM 417 OE2 GLU A 41 -5.740 7.129 -23.813 1.00 0.00 O ATOM 418 H GLU A 41 -7.570 3.901 -23.517 1.00 0.00 H ATOM 419 N LEU A 42 -7.051 2.199 -20.820 1.00 0.00 N ATOM 420 CA LEU A 42 -7.051 1.092 -19.876 1.00 0.00 C ATOM 421 C LEU A 42 -5.852 0.183 -20.110 1.00 0.00 C ATOM 422 O LEU A 42 -5.273 -0.349 -19.162 1.00 0.00 O ATOM 423 CB LEU A 42 -8.355 0.296 -19.977 1.00 0.00 C ATOM 424 CG LEU A 42 -9.627 1.048 -19.582 1.00 0.00 C ATOM 425 CD1 LEU A 42 -10.849 0.169 -19.770 1.00 0.00 C ATOM 426 CD2 LEU A 42 -9.537 1.533 -18.145 1.00 0.00 C ATOM 427 H LEU A 42 -7.780 2.229 -21.561 1.00 0.00 H ATOM 428 N ILE A 43 -5.480 0.010 -21.378 1.00 0.00 N ATOM 429 CA ILE A 43 -4.321 -0.799 -21.728 1.00 0.00 C ATOM 430 C ILE A 43 -3.078 -0.187 -21.111 1.00 0.00 C ATOM 431 O ILE A 43 -2.273 -0.881 -20.494 1.00 0.00 O ATOM 432 CB ILE A 43 -4.126 -0.904 -23.267 1.00 0.00 C ATOM 433 CG1 ILE A 43 -5.314 -1.624 -23.912 1.00 0.00 C ATOM 434 CG2 ILE A 43 -2.820 -1.626 -23.598 1.00 0.00 C ATOM 435 CD1 ILE A 43 -5.236 -1.698 -25.424 1.00 0.00 C ATOM 436 H ILE A 43 -6.030 0.463 -22.135 1.00 0.00 H ATOM 437 N GLN A 44 -2.949 1.125 -21.258 1.00 0.00 N ATOM 438 CA GLN A 44 -1.824 1.858 -20.696 1.00 0.00 C ATOM 439 C GLN A 44 -1.833 1.761 -19.175 1.00 0.00 C ATOM 440 O GLN A 44 -0.800 1.572 -18.554 1.00 0.00 O ATOM 441 CB GLN A 44 -1.878 3.325 -21.127 1.00 0.00 C ATOM 442 CG GLN A 44 -1.893 3.519 -22.634 1.00 0.00 C ATOM 443 CD GLN A 44 -0.674 2.929 -23.311 1.00 0.00 C ATOM 444 OE1 GLN A 44 0.415 2.889 -22.733 1.00 0.00 O ATOM 445 NE2 GLN A 44 -0.847 2.455 -24.528 1.00 0.00 N ATOM 446 HE22 GLN A 44 -1.783 2.509 -24.979 1.00 0.00 H ATOM 447 HE21 GLN A 44 -0.048 2.027 -25.038 1.00 0.00 H ATOM 448 H GLN A 44 -3.674 1.646 -21.791 1.00 0.00 H ATOM 449 N LYS A 45 -3.016 1.883 -18.595 1.00 0.00 N ATOM 450 CA LYS A 45 -3.192 1.801 -17.145 1.00 0.00 C ATOM 451 C LYS A 45 -2.765 0.429 -16.608 1.00 0.00 C ATOM 452 O LYS A 45 -2.121 0.331 -15.565 1.00 0.00 O ATOM 453 CB LYS A 45 -4.658 2.063 -16.783 1.00 0.00 C ATOM 454 CG LYS A 45 -4.951 2.026 -15.292 1.00 0.00 C ATOM 455 CD LYS A 45 -6.446 2.061 -15.027 1.00 0.00 C ATOM 456 CE LYS A 45 -6.748 2.044 -13.538 1.00 0.00 C ATOM 457 NZ LYS A 45 -8.202 1.936 -13.275 1.00 0.00 N ATOM 458 HZ1 LYS A 45 -8.691 2.750 -13.700 1.00 0.00 H ATOM 459 HZ2 LYS A 45 -8.564 1.055 -13.693 1.00 0.00 H ATOM 460 HZ3 LYS A 45 -8.368 1.927 -12.248 1.00 0.00 H ATOM 461 H LYS A 45 -3.852 2.043 -19.192 1.00 0.00 H ATOM 462 N HIS A 46 -3.110 -0.619 -17.337 1.00 0.00 N ATOM 463 CA HIS A 46 -2.805 -1.983 -16.927 1.00 0.00 C ATOM 464 C HIS A 46 -1.337 -2.319 -17.221 1.00 0.00 C ATOM 465 O HIS A 46 -0.650 -2.913 -16.395 1.00 0.00 O ATOM 466 CB HIS A 46 -3.769 -2.946 -17.650 1.00 0.00 C ATOM 467 CG HIS A 46 -3.516 -4.422 -17.463 1.00 0.00 C ATOM 468 ND1 HIS A 46 -3.844 -5.125 -16.316 1.00 0.00 N ATOM 469 CD2 HIS A 46 -3.038 -5.338 -18.331 1.00 0.00 C ATOM 470 CE1 HIS A 46 -3.578 -6.406 -16.502 1.00 0.00 C ATOM 471 NE2 HIS A 46 -3.088 -6.564 -17.718 1.00 0.00 N ATOM 472 H HIS A 46 -3.616 -0.464 -18.232 1.00 0.00 H ATOM 473 N ARG A 47 -0.874 -1.932 -18.408 1.00 0.00 N ATOM 474 CA ARG A 47 0.507 -2.179 -18.836 1.00 0.00 C ATOM 475 C ARG A 47 1.511 -1.417 -17.975 1.00 0.00 C ATOM 476 O ARG A 47 2.573 -1.936 -17.654 1.00 0.00 O ATOM 477 CB ARG A 47 0.673 -1.787 -20.310 1.00 0.00 C ATOM 478 CG ARG A 47 2.010 -2.174 -20.924 1.00 0.00 C ATOM 479 CD ARG A 47 2.003 -1.948 -22.427 1.00 0.00 C ATOM 480 NE ARG A 47 3.044 -2.721 -23.111 1.00 0.00 N ATOM 481 CZ ARG A 47 4.129 -2.197 -23.679 1.00 0.00 C ATOM 482 NH1 ARG A 47 4.353 -0.891 -23.629 1.00 0.00 N ATOM 483 NH2 ARG A 47 4.989 -2.989 -24.303 1.00 0.00 N ATOM 484 HE ARG A 47 2.927 -3.753 -23.156 1.00 0.00 H ATOM 485 HH12 ARG A 47 5.203 -0.492 -24.076 1.00 0.00 H ATOM 486 HH11 ARG A 47 3.679 -0.266 -23.143 1.00 0.00 H ATOM 487 HH22 ARG A 47 5.838 -2.586 -24.749 1.00 0.00 H ATOM 488 HH21 ARG A 47 4.815 -4.013 -24.347 1.00 0.00 H ATOM 489 H ARG A 47 -1.517 -1.435 -19.057 1.00 0.00 H ATOM 490 N GLN A 48 1.159 -0.194 -17.593 1.00 0.00 N ATOM 491 CA GLN A 48 2.043 0.646 -16.785 1.00 0.00 C ATOM 492 C GLN A 48 2.405 -0.038 -15.470 1.00 0.00 C ATOM 493 O GLN A 48 3.517 0.116 -14.968 1.00 0.00 O ATOM 494 CB GLN A 48 1.385 1.997 -16.507 1.00 0.00 C ATOM 495 CG GLN A 48 2.336 3.034 -15.944 1.00 0.00 C ATOM 496 CD GLN A 48 3.474 3.347 -16.896 1.00 0.00 C ATOM 497 OE1 GLN A 48 3.321 3.276 -18.118 1.00 0.00 O ATOM 498 NE2 GLN A 48 4.619 3.686 -16.347 1.00 0.00 N ATOM 499 HE22 GLN A 48 4.705 3.734 -15.312 1.00 0.00 H ATOM 500 HE21 GLN A 48 5.439 3.906 -16.948 1.00 0.00 H ATOM 501 H GLN A 48 0.229 0.176 -17.876 1.00 0.00 H ATOM 502 N LEU A 49 1.472 -0.807 -14.936 1.00 0.00 N ATOM 503 CA LEU A 49 1.700 -1.541 -13.700 1.00 0.00 C ATOM 504 C LEU A 49 2.801 -2.582 -13.900 1.00 0.00 C ATOM 505 O LEU A 49 3.639 -2.798 -13.019 1.00 0.00 O ATOM 506 CB LEU A 49 0.410 -2.222 -13.243 1.00 0.00 C ATOM 507 CG LEU A 49 -0.744 -1.286 -12.882 1.00 0.00 C ATOM 508 CD1 LEU A 49 -2.000 -2.082 -12.578 1.00 0.00 C ATOM 509 CD2 LEU A 49 -0.372 -0.409 -11.696 1.00 0.00 C ATOM 510 H LEU A 49 0.551 -0.890 -15.411 1.00 0.00 H ATOM 511 N PHE A 50 2.810 -3.192 -15.080 1.00 0.00 N ATOM 512 CA PHE A 50 3.795 -4.205 -15.419 1.00 0.00 C ATOM 513 C PHE A 50 5.126 -3.551 -15.772 1.00 0.00 C ATOM 514 O PHE A 50 6.190 -4.102 -15.502 1.00 0.00 O ATOM 515 CB PHE A 50 3.297 -5.081 -16.579 1.00 0.00 C ATOM 516 CG PHE A 50 4.301 -6.102 -17.044 1.00 0.00 C ATOM 517 CD1 PHE A 50 4.737 -7.105 -16.192 1.00 0.00 C ATOM 518 CD2 PHE A 50 4.811 -6.055 -18.332 1.00 0.00 C ATOM 519 CE1 PHE A 50 5.661 -8.040 -16.617 1.00 0.00 C ATOM 520 CE2 PHE A 50 5.734 -6.988 -18.761 1.00 0.00 C ATOM 521 CZ PHE A 50 6.160 -7.981 -17.902 1.00 0.00 C ATOM 522 H PHE A 50 2.089 -2.936 -15.784 1.00 0.00 H ATOM 523 N ASP A 51 5.056 -2.364 -16.368 1.00 0.00 N ATOM 524 CA ASP A 51 6.261 -1.618 -16.716 1.00 0.00 C ATOM 525 C ASP A 51 6.964 -1.177 -15.454 1.00 0.00 C ATOM 526 O ASP A 51 8.194 -1.160 -15.385 1.00 0.00 O ATOM 527 CB ASP A 51 5.947 -0.398 -17.591 1.00 0.00 C ATOM 528 CG ASP A 51 5.679 -0.755 -19.039 1.00 0.00 C ATOM 529 OD1 ASP A 51 6.527 -1.436 -19.656 1.00 0.00 O ATOM 530 OD2 ASP A 51 4.640 -0.326 -19.579 1.00 0.00 O ATOM 531 H ASP A 51 4.124 -1.959 -16.590 1.00 0.00 H ATOM 532 N ASN A 52 6.170 -0.797 -14.459 1.00 0.00 N ATOM 533 CA ASN A 52 6.696 -0.423 -13.156 1.00 0.00 C ATOM 534 C ASN A 52 7.402 -1.604 -12.515 1.00 0.00 C ATOM 535 O ASN A 52 8.622 -1.589 -12.342 1.00 0.00 O ATOM 536 CB ASN A 52 5.580 0.084 -12.228 1.00 0.00 C ATOM 537 CG ASN A 52 5.105 1.490 -12.560 1.00 0.00 C ATOM 538 OD1 ASN A 52 3.930 1.812 -12.400 1.00 0.00 O ATOM 539 ND2 ASN A 52 6.013 2.341 -12.997 1.00 0.00 N ATOM 540 HD22 ASN A 52 6.998 2.032 -13.120 1.00 0.00 H ATOM 541 HD21 ASN A 52 5.744 3.321 -13.218 1.00 0.00 H ATOM 542 H ASN A 52 5.142 -0.766 -14.617 1.00 0.00 H ATOM 543 N ARG A 53 6.642 -2.626 -12.161 1.00 0.00 N ATOM 544 CA ARG A 53 7.210 -3.808 -11.545 1.00 0.00 C ATOM 545 C ARG A 53 7.070 -5.009 -12.461 1.00 0.00 C ATOM 546 O ARG A 53 5.986 -5.585 -12.590 1.00 0.00 O ATOM 547 CB ARG A 53 6.533 -4.084 -10.205 1.00 0.00 C ATOM 548 CG ARG A 53 6.514 -2.882 -9.281 1.00 0.00 C ATOM 549 CD ARG A 53 5.911 -3.225 -7.939 1.00 0.00 C ATOM 550 NE ARG A 53 5.813 -2.051 -7.072 1.00 0.00 N ATOM 551 CZ ARG A 53 6.272 -1.999 -5.823 1.00 0.00 C ATOM 552 NH1 ARG A 53 6.859 -3.059 -5.283 1.00 0.00 N ATOM 553 NH2 ARG A 53 6.141 -0.884 -5.113 1.00 0.00 N ATOM 554 HE ARG A 53 5.354 -1.200 -7.457 1.00 0.00 H ATOM 555 HH12 ARG A 53 7.216 -3.015 -4.307 1.00 0.00 H ATOM 556 HH11 ARG A 53 6.962 -3.934 -5.835 1.00 0.00 H ATOM 557 HH22 ARG A 53 6.499 -0.843 -4.138 1.00 0.00 H ATOM 558 HH21 ARG A 53 5.680 -0.052 -5.533 1.00 0.00 H ATOM 559 H ARG A 53 5.616 -2.581 -12.328 1.00 0.00 H ATOM 560 N GLN A 54 8.161 -5.384 -13.100 1.00 0.00 N ATOM 561 CA GLN A 54 8.153 -6.510 -14.010 1.00 0.00 C ATOM 562 C GLN A 54 8.278 -7.824 -13.247 1.00 0.00 C ATOM 563 O GLN A 54 9.358 -8.417 -13.172 1.00 0.00 O ATOM 564 CB GLN A 54 9.275 -6.387 -15.044 1.00 0.00 C ATOM 565 CG GLN A 54 9.157 -5.171 -15.948 1.00 0.00 C ATOM 566 CD GLN A 54 10.307 -5.062 -16.930 1.00 0.00 C ATOM 567 OE1 GLN A 54 11.430 -5.485 -16.644 1.00 0.00 O ATOM 568 NE2 GLN A 54 10.037 -4.510 -18.097 1.00 0.00 N ATOM 569 HE22 GLN A 54 9.077 -4.166 -18.300 1.00 0.00 H ATOM 570 HE21 GLN A 54 10.784 -4.419 -18.815 1.00 0.00 H ATOM 571 H GLN A 54 9.046 -4.860 -12.947 1.00 0.00 H ATOM 572 N GLU A 55 7.183 -8.249 -12.649 1.00 0.00 N ATOM 573 CA GLU A 55 7.149 -9.504 -11.916 1.00 0.00 C ATOM 574 C GLU A 55 6.400 -10.557 -12.719 1.00 0.00 C ATOM 575 O GLU A 55 6.974 -11.576 -13.110 1.00 0.00 O ATOM 576 CB GLU A 55 6.498 -9.316 -10.541 1.00 0.00 C ATOM 577 CG GLU A 55 7.254 -8.363 -9.626 1.00 0.00 C ATOM 578 CD GLU A 55 6.683 -8.322 -8.225 1.00 0.00 C ATOM 579 OE1 GLU A 55 6.827 -9.325 -7.493 1.00 0.00 O ATOM 580 OE2 GLU A 55 6.106 -7.288 -7.839 1.00 0.00 O ATOM 581 H GLU A 55 6.320 -7.671 -12.703 1.00 0.00 H ATOM 582 N ALA A 56 5.113 -10.288 -12.967 1.00 0.00 N ATOM 583 CA ALA A 56 4.242 -11.171 -13.757 1.00 0.00 C ATOM 584 C ALA A 56 3.995 -12.516 -13.076 1.00 0.00 C ATOM 585 O ALA A 56 4.653 -12.870 -12.100 1.00 0.00 O ATOM 586 CB ALA A 56 4.808 -11.382 -15.161 1.00 0.00 C ATOM 587 H ALA A 56 4.708 -9.411 -12.582 1.00 0.00 H ATOM 588 N ALA A 57 3.024 -13.252 -13.593 1.00 0.00 N ATOM 589 CA ALA A 57 2.701 -14.570 -13.071 1.00 0.00 C ATOM 590 C ALA A 57 3.406 -15.642 -13.890 1.00 0.00 C ATOM 591 O ALA A 57 3.433 -16.814 -13.509 1.00 0.00 O ATOM 592 CB ALA A 57 1.195 -14.790 -13.087 1.00 0.00 C ATOM 593 H ALA A 57 2.477 -12.877 -14.394 1.00 0.00 H ATOM 594 N ASP A 58 4.010 -15.204 -14.998 1.00 0.00 N ATOM 595 CA ASP A 58 4.716 -16.080 -15.936 1.00 0.00 C ATOM 596 C ASP A 58 5.160 -15.281 -17.154 1.00 0.00 C ATOM 597 O ASP A 58 4.599 -14.219 -17.445 1.00 0.00 O ATOM 598 CB ASP A 58 3.844 -17.261 -16.387 1.00 0.00 C ATOM 599 CG ASP A 58 4.626 -18.250 -17.223 1.00 0.00 C ATOM 600 OD1 ASP A 58 5.438 -18.997 -16.655 1.00 0.00 O ATOM 601 OD2 ASP A 58 4.451 -18.268 -18.453 1.00 0.00 O ATOM 602 H ASP A 58 3.977 -14.186 -15.206 1.00 0.00 H ATOM 603 N THR A 59 6.151 -15.792 -17.861 1.00 0.00 N ATOM 604 CA THR A 59 6.690 -15.128 -19.029 1.00 0.00 C ATOM 605 C THR A 59 5.756 -15.237 -20.244 1.00 0.00 C ATOM 606 O THR A 59 5.664 -14.303 -21.044 1.00 0.00 O ATOM 607 CB THR A 59 8.075 -15.699 -19.389 1.00 0.00 C ATOM 608 OG1 THR A 59 8.036 -17.135 -19.323 1.00 0.00 O ATOM 609 CG2 THR A 59 9.139 -15.175 -18.436 1.00 0.00 C ATOM 610 HG1 THR A 59 8.927 -17.499 -19.555 1.00 0.00 H ATOM 611 H THR A 59 6.559 -16.703 -17.569 1.00 0.00 H ATOM 612 N GLU A 60 5.044 -16.361 -20.367 1.00 0.00 N ATOM 613 CA GLU A 60 4.157 -16.576 -21.512 1.00 0.00 C ATOM 614 C GLU A 60 3.012 -15.577 -21.493 1.00 0.00 C ATOM 615 O GLU A 60 2.614 -15.050 -22.535 1.00 0.00 O ATOM 616 CB GLU A 60 3.613 -18.011 -21.531 1.00 0.00 C ATOM 617 CG GLU A 60 2.825 -18.350 -22.791 1.00 0.00 C ATOM 618 CD GLU A 60 2.348 -19.787 -22.821 1.00 0.00 C ATOM 619 OE1 GLU A 60 3.199 -20.701 -22.880 1.00 0.00 O ATOM 620 OE2 GLU A 60 1.120 -20.013 -22.812 1.00 0.00 O ATOM 621 H GLU A 60 5.121 -17.097 -19.636 1.00 0.00 H ATOM 622 N ALA A 61 2.504 -15.301 -20.298 1.00 0.00 N ATOM 623 CA ALA A 61 1.414 -14.355 -20.130 1.00 0.00 C ATOM 624 C ALA A 61 1.830 -12.967 -20.598 1.00 0.00 C ATOM 625 O ALA A 61 1.076 -12.285 -21.282 1.00 0.00 O ATOM 626 CB ALA A 61 0.965 -14.317 -18.675 1.00 0.00 C ATOM 627 H ALA A 61 2.897 -15.775 -19.460 1.00 0.00 H ATOM 628 N ALA A 62 3.041 -12.559 -20.233 1.00 0.00 N ATOM 629 CA ALA A 62 3.564 -11.263 -20.639 1.00 0.00 C ATOM 630 C ALA A 62 3.731 -11.185 -22.157 1.00 0.00 C ATOM 631 O ALA A 62 3.417 -10.166 -22.771 1.00 0.00 O ATOM 632 CB ALA A 62 4.887 -10.987 -19.941 1.00 0.00 C ATOM 633 H ALA A 62 3.629 -13.181 -19.643 1.00 0.00 H ATOM 634 N LYS A 63 4.225 -12.267 -22.754 1.00 0.00 N ATOM 635 CA LYS A 63 4.413 -12.321 -24.205 1.00 0.00 C ATOM 636 C LYS A 63 3.082 -12.192 -24.939 1.00 0.00 C ATOM 637 O LYS A 63 2.973 -11.440 -25.911 1.00 0.00 O ATOM 638 CB LYS A 63 5.103 -13.623 -24.616 1.00 0.00 C ATOM 639 CG LYS A 63 6.513 -13.779 -24.077 1.00 0.00 C ATOM 640 CD LYS A 63 7.120 -15.104 -24.508 1.00 0.00 C ATOM 641 CE LYS A 63 8.536 -15.269 -23.982 1.00 0.00 C ATOM 642 NZ LYS A 63 9.445 -14.199 -24.470 1.00 0.00 N ATOM 643 HZ1 LYS A 63 9.481 -14.224 -25.509 1.00 0.00 H ATOM 644 HZ2 LYS A 63 9.089 -13.274 -24.156 1.00 0.00 H ATOM 645 HZ3 LYS A 63 10.399 -14.354 -24.085 1.00 0.00 H ATOM 646 H LYS A 63 4.483 -13.093 -22.177 1.00 0.00 H ATOM 647 N GLN A 64 2.070 -12.913 -24.472 1.00 0.00 N ATOM 648 CA GLN A 64 0.753 -12.846 -25.094 1.00 0.00 C ATOM 649 C GLN A 64 0.089 -11.510 -24.797 1.00 0.00 C ATOM 650 O GLN A 64 -0.690 -11.002 -25.600 1.00 0.00 O ATOM 651 CB GLN A 64 -0.138 -14.023 -24.666 1.00 0.00 C ATOM 652 CG GLN A 64 0.449 -15.375 -25.039 1.00 0.00 C ATOM 653 CD GLN A 64 -0.592 -16.446 -25.319 1.00 0.00 C ATOM 654 OE1 GLN A 64 -1.677 -16.467 -24.732 1.00 0.00 O ATOM 655 NE2 GLN A 64 -0.269 -17.337 -26.236 1.00 0.00 N ATOM 656 HE22 GLN A 64 0.656 -17.285 -26.708 1.00 0.00 H ATOM 657 HE21 GLN A 64 -0.939 -18.092 -26.487 1.00 0.00 H ATOM 658 H GLN A 64 2.219 -13.534 -23.651 1.00 0.00 H ATOM 659 N GLY A 65 0.423 -10.943 -23.645 1.00 0.00 N ATOM 660 CA GLY A 65 -0.121 -9.655 -23.266 1.00 0.00 C ATOM 661 C GLY A 65 0.333 -8.565 -24.214 1.00 0.00 C ATOM 662 O GLY A 65 -0.482 -7.798 -24.727 1.00 0.00 O ATOM 663 H GLY A 65 1.084 -11.429 -23.006 1.00 0.00 H ATOM 664 N ASP A 66 1.637 -8.512 -24.470 1.00 0.00 N ATOM 665 CA ASP A 66 2.190 -7.545 -25.421 1.00 0.00 C ATOM 666 C ASP A 66 1.684 -7.823 -26.825 1.00 0.00 C ATOM 667 O ASP A 66 1.410 -6.900 -27.592 1.00 0.00 O ATOM 668 CB ASP A 66 3.728 -7.549 -25.407 1.00 0.00 C ATOM 669 CG ASP A 66 4.327 -6.634 -24.347 1.00 0.00 C ATOM 670 OD1 ASP A 66 3.961 -5.441 -24.301 1.00 0.00 O ATOM 671 OD2 ASP A 66 5.199 -7.095 -23.583 1.00 0.00 O ATOM 672 H ASP A 66 2.278 -9.171 -23.984 1.00 0.00 H ATOM 673 N GLN A 67 1.552 -9.105 -27.152 1.00 0.00 N ATOM 674 CA GLN A 67 1.073 -9.524 -28.460 1.00 0.00 C ATOM 675 C GLN A 67 -0.355 -9.031 -28.683 1.00 0.00 C ATOM 676 O GLN A 67 -0.704 -8.571 -29.771 1.00 0.00 O ATOM 677 CB GLN A 67 1.126 -11.049 -28.565 1.00 0.00 C ATOM 678 CG GLN A 67 1.050 -11.576 -29.984 1.00 0.00 C ATOM 679 CD GLN A 67 2.209 -11.098 -30.840 1.00 0.00 C ATOM 680 OE1 GLN A 67 3.306 -10.840 -30.335 1.00 0.00 O ATOM 681 NE2 GLN A 67 1.982 -10.990 -32.132 1.00 0.00 N ATOM 682 HE22 GLN A 67 1.043 -11.218 -32.516 1.00 0.00 H ATOM 683 HE21 GLN A 67 2.742 -10.677 -32.769 1.00 0.00 H ATOM 684 H GLN A 67 1.799 -9.831 -26.450 1.00 0.00 H ATOM 685 N TRP A 68 -1.168 -9.118 -27.634 1.00 0.00 N ATOM 686 CA TRP A 68 -2.553 -8.666 -27.681 1.00 0.00 C ATOM 687 C TRP A 68 -2.608 -7.169 -27.968 1.00 0.00 C ATOM 688 O TRP A 68 -3.465 -6.698 -28.715 1.00 0.00 O ATOM 689 CB TRP A 68 -3.277 -8.981 -26.366 1.00 0.00 C ATOM 690 CG TRP A 68 -4.757 -8.737 -26.430 1.00 0.00 C ATOM 691 CD1 TRP A 68 -5.708 -9.619 -26.849 1.00 0.00 C ATOM 692 CD2 TRP A 68 -5.457 -7.537 -26.069 1.00 0.00 C ATOM 693 NE1 TRP A 68 -6.951 -9.047 -26.776 1.00 0.00 N ATOM 694 CE2 TRP A 68 -6.826 -7.769 -26.300 1.00 0.00 C ATOM 695 CE3 TRP A 68 -5.059 -6.291 -25.575 1.00 0.00 C ATOM 696 CZ2 TRP A 68 -7.797 -6.804 -26.055 1.00 0.00 C ATOM 697 CZ3 TRP A 68 -6.025 -5.334 -25.332 1.00 0.00 C ATOM 698 CH2 TRP A 68 -7.380 -5.595 -25.572 1.00 0.00 C ATOM 699 HE1 TRP A 68 -7.845 -9.509 -27.039 1.00 0.00 H ATOM 700 H TRP A 68 -0.802 -9.523 -26.749 1.00 0.00 H ATOM 701 N VAL A 69 -1.666 -6.433 -27.388 1.00 0.00 N ATOM 702 CA VAL A 69 -1.606 -4.989 -27.567 1.00 0.00 C ATOM 703 C VAL A 69 -1.296 -4.671 -29.024 1.00 0.00 C ATOM 704 O VAL A 69 -1.855 -3.741 -29.608 1.00 0.00 O ATOM 705 CB VAL A 69 -0.527 -4.343 -26.660 1.00 0.00 C ATOM 706 CG1 VAL A 69 -0.485 -2.833 -26.853 1.00 0.00 C ATOM 707 CG2 VAL A 69 -0.780 -4.681 -25.203 1.00 0.00 C ATOM 708 H VAL A 69 -0.954 -6.900 -26.791 1.00 0.00 H ATOM 709 N GLN A 70 -0.418 -5.474 -29.611 1.00 0.00 N ATOM 710 CA GLN A 70 -0.034 -5.314 -31.002 1.00 0.00 C ATOM 711 C GLN A 70 -1.203 -5.662 -31.914 1.00 0.00 C ATOM 712 O GLN A 70 -1.431 -5.006 -32.927 1.00 0.00 O ATOM 713 CB GLN A 70 1.175 -6.188 -31.321 1.00 0.00 C ATOM 714 CG GLN A 70 2.399 -5.850 -30.487 1.00 0.00 C ATOM 715 CD GLN A 70 3.576 -6.749 -30.784 1.00 0.00 C ATOM 716 OE1 GLN A 70 3.734 -7.237 -31.899 1.00 0.00 O ATOM 717 NE2 GLN A 70 4.409 -6.973 -29.786 1.00 0.00 N ATOM 718 HE22 GLN A 70 4.236 -6.539 -28.857 1.00 0.00 H ATOM 719 HE21 GLN A 70 5.238 -7.584 -29.928 1.00 0.00 H ATOM 720 H GLN A 70 0.009 -6.243 -29.057 1.00 0.00 H ATOM 721 N LEU A 71 -1.952 -6.696 -31.537 1.00 0.00 N ATOM 722 CA LEU A 71 -3.132 -7.103 -32.287 1.00 0.00 C ATOM 723 C LEU A 71 -4.188 -6.010 -32.235 1.00 0.00 C ATOM 724 O LEU A 71 -4.859 -5.736 -33.227 1.00 0.00 O ATOM 725 CB LEU A 71 -3.700 -8.411 -31.730 1.00 0.00 C ATOM 726 CG LEU A 71 -2.888 -9.673 -32.015 1.00 0.00 C ATOM 727 CD1 LEU A 71 -3.443 -10.849 -31.225 1.00 0.00 C ATOM 728 CD2 LEU A 71 -2.906 -9.984 -33.502 1.00 0.00 C ATOM 729 H LEU A 71 -1.687 -7.228 -30.683 1.00 0.00 H ATOM 730 N PHE A 72 -4.318 -5.384 -31.069 1.00 0.00 N ATOM 731 CA PHE A 72 -5.251 -4.277 -30.891 1.00 0.00 C ATOM 732 C PHE A 72 -4.874 -3.129 -31.819 1.00 0.00 C ATOM 733 O PHE A 72 -5.739 -2.482 -32.415 1.00 0.00 O ATOM 734 CB PHE A 72 -5.264 -3.796 -29.431 1.00 0.00 C ATOM 735 CG PHE A 72 -6.175 -2.617 -29.195 1.00 0.00 C ATOM 736 CD1 PHE A 72 -7.530 -2.804 -28.977 1.00 0.00 C ATOM 737 CD2 PHE A 72 -5.673 -1.321 -29.198 1.00 0.00 C ATOM 738 CE1 PHE A 72 -8.368 -1.724 -28.769 1.00 0.00 C ATOM 739 CE2 PHE A 72 -6.506 -0.239 -28.989 1.00 0.00 C ATOM 740 CZ PHE A 72 -7.855 -0.441 -28.775 1.00 0.00 C ATOM 741 H PHE A 72 -3.739 -5.692 -30.262 1.00 0.00 H ATOM 742 N GLN A 73 -3.574 -2.897 -31.950 1.00 0.00 N ATOM 743 CA GLN A 73 -3.062 -1.854 -32.822 1.00 0.00 C ATOM 744 C GLN A 73 -3.421 -2.151 -34.271 1.00 0.00 C ATOM 745 O GLN A 73 -3.871 -1.272 -34.994 1.00 0.00 O ATOM 746 CB GLN A 73 -1.547 -1.719 -32.665 1.00 0.00 C ATOM 747 CG GLN A 73 -1.119 -1.142 -31.327 1.00 0.00 C ATOM 748 CD GLN A 73 0.384 -1.178 -31.121 1.00 0.00 C ATOM 749 OE1 GLN A 73 1.163 -1.119 -32.079 1.00 0.00 O ATOM 750 NE2 GLN A 73 0.801 -1.270 -29.875 1.00 0.00 N ATOM 751 HE22 GLN A 73 0.111 -1.317 -29.098 1.00 0.00 H ATOM 752 HE21 GLN A 73 1.820 -1.295 -29.668 1.00 0.00 H ATOM 753 H GLN A 73 -2.901 -3.480 -31.412 1.00 0.00 H ATOM 754 N ARG A 74 -3.258 -3.411 -34.674 1.00 0.00 N ATOM 755 CA ARG A 74 -3.575 -3.829 -36.039 1.00 0.00 C ATOM 756 C ARG A 74 -5.072 -3.740 -36.271 1.00 0.00 C ATOM 757 O ARG A 74 -5.527 -3.383 -37.354 1.00 0.00 O ATOM 758 CB ARG A 74 -3.113 -5.264 -36.283 1.00 0.00 C ATOM 759 CG ARG A 74 -1.636 -5.491 -36.046 1.00 0.00 C ATOM 760 CD ARG A 74 -1.267 -6.943 -36.269 1.00 0.00 C ATOM 761 NE ARG A 74 0.135 -7.201 -35.960 1.00 0.00 N ATOM 762 CZ ARG A 74 0.703 -8.405 -35.981 1.00 0.00 C ATOM 763 NH1 ARG A 74 -0.015 -9.479 -36.313 1.00 0.00 N ATOM 764 NH2 ARG A 74 1.990 -8.532 -35.670 1.00 0.00 N ATOM 765 HE ARG A 74 0.732 -6.388 -35.706 1.00 0.00 H ATOM 766 HH12 ARG A 74 0.431 -10.418 -36.329 1.00 0.00 H ATOM 767 HH11 ARG A 74 -1.021 -9.377 -36.556 1.00 0.00 H ATOM 768 HH22 ARG A 74 2.438 -9.470 -35.685 1.00 0.00 H ATOM 769 HH21 ARG A 74 2.548 -7.693 -35.412 1.00 0.00 H ATOM 770 H ARG A 74 -2.896 -4.115 -34.000 1.00 0.00 H ATOM 771 N PHE A 75 -5.828 -4.079 -35.236 1.00 0.00 N ATOM 772 CA PHE A 75 -7.275 -4.013 -35.287 1.00 0.00 C ATOM 773 C PHE A 75 -7.711 -2.590 -35.593 1.00 0.00 C ATOM 774 O PHE A 75 -8.538 -2.362 -36.471 1.00 0.00 O ATOM 775 CB PHE A 75 -7.879 -4.493 -33.961 1.00 0.00 C ATOM 776 CG PHE A 75 -9.384 -4.500 -33.933 1.00 0.00 C ATOM 777 CD1 PHE A 75 -10.097 -5.482 -34.603 1.00 0.00 C ATOM 778 CD2 PHE A 75 -10.085 -3.531 -33.231 1.00 0.00 C ATOM 779 CE1 PHE A 75 -11.478 -5.497 -34.575 1.00 0.00 C ATOM 780 CE2 PHE A 75 -11.466 -3.541 -33.201 1.00 0.00 C ATOM 781 CZ PHE A 75 -12.163 -4.526 -33.874 1.00 0.00 C ATOM 782 H PHE A 75 -5.369 -4.402 -34.361 1.00 0.00 H ATOM 783 N ARG A 76 -7.137 -1.631 -34.876 1.00 0.00 N ATOM 784 CA ARG A 76 -7.447 -0.238 -35.136 1.00 0.00 C ATOM 785 C ARG A 76 -6.963 0.180 -36.520 1.00 0.00 C ATOM 786 O ARG A 76 -7.647 0.931 -37.214 1.00 0.00 O ATOM 787 CB ARG A 76 -6.885 0.720 -34.096 1.00 0.00 C ATOM 788 CG ARG A 76 -7.398 2.131 -34.339 1.00 0.00 C ATOM 789 CD ARG A 76 -6.465 3.201 -33.838 1.00 0.00 C ATOM 790 NE ARG A 76 -6.651 4.438 -34.606 1.00 0.00 N ATOM 791 CZ ARG A 76 -6.599 5.662 -34.097 1.00 0.00 C ATOM 792 NH1 ARG A 76 -6.335 5.846 -32.806 1.00 0.00 N ATOM 793 NH2 ARG A 76 -6.804 6.705 -34.887 1.00 0.00 N ATOM 794 HE ARG A 76 -6.837 4.348 -35.625 1.00 0.00 H ATOM 795 HH12 ARG A 76 -6.296 6.809 -32.415 1.00 0.00 H ATOM 796 HH11 ARG A 76 -6.167 5.027 -32.188 1.00 0.00 H ATOM 797 HH22 ARG A 76 -6.765 7.668 -34.497 1.00 0.00 H ATOM 798 HH21 ARG A 76 -7.004 6.561 -35.897 1.00 0.00 H ATOM 799 H ARG A 76 -6.462 -1.880 -34.125 1.00 0.00 H ATOM 800 N GLU A 77 -5.804 -0.346 -36.944 1.00 0.00 N ATOM 801 CA GLU A 77 -5.235 0.025 -38.238 1.00 0.00 C ATOM 802 C GLU A 77 -6.188 -0.371 -39.336 1.00 0.00 C ATOM 803 O GLU A 77 -6.359 0.345 -40.319 1.00 0.00 O ATOM 804 CB GLU A 77 -3.887 -0.662 -38.485 1.00 0.00 C ATOM 805 CG GLU A 77 -2.741 -0.163 -37.627 1.00 0.00 C ATOM 806 CD GLU A 77 -1.408 -0.704 -38.101 1.00 0.00 C ATOM 807 OE1 GLU A 77 -0.821 -0.104 -39.031 1.00 0.00 O ATOM 808 OE2 GLU A 77 -0.940 -1.731 -37.560 1.00 0.00 O ATOM 809 H GLU A 77 -5.302 -1.029 -36.342 1.00 0.00 H ATOM 810 N ALA A 78 -6.835 -1.502 -39.143 1.00 0.00 N ATOM 811 CA ALA A 78 -7.783 -2.009 -40.094 1.00 0.00 C ATOM 812 C ALA A 78 -9.029 -1.138 -40.113 1.00 0.00 C ATOM 813 O ALA A 78 -9.672 -0.994 -41.146 1.00 0.00 O ATOM 814 CB ALA A 78 -8.128 -3.457 -39.788 1.00 0.00 C ATOM 815 H ALA A 78 -6.653 -2.045 -38.275 1.00 0.00 H ATOM 816 N ILE A 79 -9.362 -0.532 -38.969 1.00 0.00 N ATOM 817 CA ILE A 79 -10.532 0.327 -38.881 1.00 0.00 C ATOM 818 C ILE A 79 -10.235 1.627 -39.604 1.00 0.00 C ATOM 819 O ILE A 79 -11.075 2.159 -40.336 1.00 0.00 O ATOM 820 CB ILE A 79 -10.905 0.647 -37.405 1.00 0.00 C ATOM 821 CG1 ILE A 79 -11.257 -0.634 -36.648 1.00 0.00 C ATOM 822 CG2 ILE A 79 -12.066 1.639 -37.344 1.00 0.00 C ATOM 823 CD1 ILE A 79 -11.571 -0.416 -35.184 1.00 0.00 C ATOM 824 H ILE A 79 -8.772 -0.678 -38.125 1.00 0.00 H ATOM 825 N ASP A 80 -9.004 2.114 -39.415 1.00 0.00 N ATOM 826 CA ASP A 80 -8.556 3.352 -40.036 1.00 0.00 C ATOM 827 C ASP A 80 -8.447 3.165 -41.546 1.00 0.00 C ATOM 828 O ASP A 80 -8.697 4.090 -42.318 1.00 0.00 O ATOM 829 CB ASP A 80 -7.186 3.806 -39.470 1.00 0.00 C ATOM 830 CG ASP A 80 -7.211 4.220 -37.993 1.00 0.00 C ATOM 831 OD1 ASP A 80 -7.873 5.222 -37.649 1.00 0.00 O ATOM 832 OD2 ASP A 80 -6.536 3.567 -37.183 1.00 0.00 O ATOM 833 H ASP A 80 -8.345 1.591 -38.804 1.00 0.00 H ATOM 834 N LYS A 81 -8.075 1.951 -41.960 1.00 0.00 N ATOM 835 CA LYS A 81 -7.930 1.624 -43.380 1.00 0.00 C ATOM 836 C LYS A 81 -9.251 1.180 -43.998 1.00 0.00 C ATOM 837 O LYS A 81 -9.339 0.988 -45.208 1.00 0.00 O ATOM 838 CB LYS A 81 -6.880 0.523 -43.586 1.00 0.00 C ATOM 839 CG LYS A 81 -5.464 0.923 -43.204 1.00 0.00 C ATOM 840 CD LYS A 81 -5.016 2.155 -43.960 1.00 0.00 C ATOM 841 CE LYS A 81 -3.552 2.468 -43.701 1.00 0.00 C ATOM 842 NZ LYS A 81 -3.266 2.665 -42.257 1.00 0.00 N ATOM 843 HZ1 LYS A 81 -3.835 3.458 -41.897 1.00 0.00 H ATOM 844 HZ2 LYS A 81 -3.508 1.798 -41.735 1.00 0.00 H ATOM 845 HZ3 LYS A 81 -2.255 2.876 -42.131 1.00 0.00 H ATOM 846 H LYS A 81 -7.882 1.215 -41.251 1.00 0.00 H ATOM 847 N GLY A 82 -10.278 1.031 -43.175 1.00 0.00 N ATOM 848 CA GLY A 82 -11.566 0.586 -43.678 1.00 0.00 C ATOM 849 C GLY A 82 -11.569 -0.866 -44.123 1.00 0.00 C ATOM 850 O GLY A 82 -12.354 -1.253 -44.990 1.00 0.00 O ATOM 851 H GLY A 82 -10.161 1.234 -42.162 1.00 0.00 H ATOM 852 N ASP A 83 -10.708 -1.670 -43.533 1.00 0.00 N ATOM 853 CA ASP A 83 -10.611 -3.076 -43.886 1.00 0.00 C ATOM 854 C ASP A 83 -11.531 -3.888 -42.991 1.00 0.00 C ATOM 855 O ASP A 83 -11.179 -4.227 -41.863 1.00 0.00 O ATOM 856 CB ASP A 83 -9.170 -3.568 -43.748 1.00 0.00 C ATOM 857 CG ASP A 83 -8.942 -4.927 -44.387 1.00 0.00 C ATOM 858 OD1 ASP A 83 -8.132 -5.007 -45.329 1.00 0.00 O ATOM 859 OD2 ASP A 83 -9.558 -5.914 -43.944 1.00 0.00 O ATOM 860 H ASP A 83 -10.082 -1.288 -42.796 1.00 0.00 H ATOM 861 N LYS A 84 -12.713 -4.181 -43.497 1.00 0.00 N ATOM 862 CA LYS A 84 -13.727 -4.893 -42.726 1.00 0.00 C ATOM 863 C LYS A 84 -13.355 -6.362 -42.548 1.00 0.00 C ATOM 864 O LYS A 84 -13.659 -6.973 -41.519 1.00 0.00 O ATOM 865 CB LYS A 84 -15.091 -4.786 -43.409 1.00 0.00 C ATOM 866 CG LYS A 84 -15.114 -5.365 -44.810 1.00 0.00 C ATOM 867 CD LYS A 84 -16.516 -5.417 -45.371 1.00 0.00 C ATOM 868 CE LYS A 84 -16.522 -6.017 -46.764 1.00 0.00 C ATOM 869 NZ LYS A 84 -15.987 -7.407 -46.785 1.00 0.00 N ATOM 870 HZ1 LYS A 84 -15.006 -7.405 -46.439 1.00 0.00 H ATOM 871 HZ2 LYS A 84 -16.571 -8.011 -46.172 1.00 0.00 H ATOM 872 HZ3 LYS A 84 -16.012 -7.772 -47.758 1.00 0.00 H ATOM 873 H LYS A 84 -12.929 -3.896 -44.474 1.00 0.00 H ATOM 874 N ASP A 85 -12.692 -6.913 -43.552 1.00 0.00 N ATOM 875 CA ASP A 85 -12.317 -8.320 -43.562 1.00 0.00 C ATOM 876 C ASP A 85 -11.367 -8.657 -42.431 1.00 0.00 C ATOM 877 O ASP A 85 -11.590 -9.621 -41.690 1.00 0.00 O ATOM 878 CB ASP A 85 -11.701 -8.703 -44.908 1.00 0.00 C ATOM 879 CG ASP A 85 -12.730 -8.790 -46.017 1.00 0.00 C ATOM 880 OD1 ASP A 85 -13.342 -7.758 -46.359 1.00 0.00 O ATOM 881 OD2 ASP A 85 -12.931 -9.898 -46.560 1.00 0.00 O ATOM 882 H ASP A 85 -12.429 -6.319 -44.364 1.00 0.00 H ATOM 883 N SER A 86 -10.316 -7.870 -42.287 1.00 0.00 N ATOM 884 CA SER A 86 -9.333 -8.087 -41.245 1.00 0.00 C ATOM 885 C SER A 86 -9.926 -7.879 -39.859 1.00 0.00 C ATOM 886 O SER A 86 -9.514 -8.529 -38.910 1.00 0.00 O ATOM 887 CB SER A 86 -8.132 -7.171 -41.456 1.00 0.00 C ATOM 888 OG SER A 86 -7.616 -7.324 -42.768 1.00 0.00 O ATOM 889 HG SER A 86 -8.318 -7.092 -43.427 1.00 0.00 H ATOM 890 H SER A 86 -10.190 -7.071 -42.941 1.00 0.00 H ATOM 891 N LEU A 87 -10.912 -6.990 -39.751 1.00 0.00 N ATOM 892 CA LEU A 87 -11.524 -6.690 -38.457 1.00 0.00 C ATOM 893 C LEU A 87 -12.120 -7.937 -37.835 1.00 0.00 C ATOM 894 O LEU A 87 -11.889 -8.223 -36.665 1.00 0.00 O ATOM 895 CB LEU A 87 -12.614 -5.624 -38.604 1.00 0.00 C ATOM 896 CG LEU A 87 -12.137 -4.234 -39.003 1.00 0.00 C ATOM 897 CD1 LEU A 87 -13.313 -3.278 -39.124 1.00 0.00 C ATOM 898 CD2 LEU A 87 -11.133 -3.715 -37.996 1.00 0.00 C ATOM 899 H LEU A 87 -11.253 -6.500 -40.603 1.00 0.00 H ATOM 900 N GLU A 88 -12.871 -8.682 -38.622 1.00 0.00 N ATOM 901 CA GLU A 88 -13.486 -9.909 -38.148 1.00 0.00 C ATOM 902 C GLU A 88 -12.429 -10.940 -37.753 1.00 0.00 C ATOM 903 O GLU A 88 -12.564 -11.622 -36.734 1.00 0.00 O ATOM 904 CB GLU A 88 -14.403 -10.486 -39.217 1.00 0.00 C ATOM 905 CG GLU A 88 -15.415 -9.492 -39.755 1.00 0.00 C ATOM 906 CD GLU A 88 -16.317 -10.096 -40.799 1.00 0.00 C ATOM 907 OE1 GLU A 88 -15.815 -10.474 -41.881 1.00 0.00 O ATOM 908 OE2 GLU A 88 -17.534 -10.187 -40.553 1.00 0.00 O ATOM 909 H GLU A 88 -13.027 -8.384 -39.606 1.00 0.00 H ATOM 910 N GLN A 89 -11.373 -11.044 -38.554 1.00 0.00 N ATOM 911 CA GLN A 89 -10.307 -12.006 -38.291 1.00 0.00 C ATOM 912 C GLN A 89 -9.507 -11.624 -37.045 1.00 0.00 C ATOM 913 O GLN A 89 -9.261 -12.458 -36.170 1.00 0.00 O ATOM 914 CB GLN A 89 -9.370 -12.108 -39.503 1.00 0.00 C ATOM 915 CG GLN A 89 -8.148 -12.982 -39.263 1.00 0.00 C ATOM 916 CD GLN A 89 -8.509 -14.419 -38.938 1.00 0.00 C ATOM 917 OE1 GLN A 89 -9.506 -14.947 -39.426 1.00 0.00 O ATOM 918 NE2 GLN A 89 -7.719 -15.047 -38.094 1.00 0.00 N ATOM 919 HE22 GLN A 89 -6.885 -14.563 -37.704 1.00 0.00 H ATOM 920 HE21 GLN A 89 -7.929 -16.027 -37.817 1.00 0.00 H ATOM 921 H GLN A 89 -11.305 -10.426 -39.387 1.00 0.00 H ATOM 922 N LEU A 90 -9.135 -10.357 -36.957 1.00 0.00 N ATOM 923 CA LEU A 90 -8.351 -9.867 -35.835 1.00 0.00 C ATOM 924 C LEU A 90 -9.152 -9.928 -34.550 1.00 0.00 C ATOM 925 O LEU A 90 -8.605 -10.181 -33.485 1.00 0.00 O ATOM 926 CB LEU A 90 -7.866 -8.439 -36.098 1.00 0.00 C ATOM 927 CG LEU A 90 -6.908 -8.272 -37.284 1.00 0.00 C ATOM 928 CD1 LEU A 90 -6.609 -6.805 -37.527 1.00 0.00 C ATOM 929 CD2 LEU A 90 -5.619 -9.046 -37.046 1.00 0.00 C ATOM 930 H LEU A 90 -9.411 -9.695 -37.710 1.00 0.00 H ATOM 931 N LEU A 91 -10.456 -9.715 -34.662 1.00 0.00 N ATOM 932 CA LEU A 91 -11.337 -9.764 -33.510 1.00 0.00 C ATOM 933 C LEU A 91 -11.334 -11.163 -32.903 1.00 0.00 C ATOM 934 O LEU A 91 -11.258 -11.319 -31.684 1.00 0.00 O ATOM 935 CB LEU A 91 -12.757 -9.356 -33.906 1.00 0.00 C ATOM 936 CG LEU A 91 -13.774 -9.276 -32.768 1.00 0.00 C ATOM 937 CD1 LEU A 91 -13.346 -8.248 -31.730 1.00 0.00 C ATOM 938 CD2 LEU A 91 -15.148 -8.940 -33.316 1.00 0.00 C ATOM 939 H LEU A 91 -10.857 -9.508 -35.599 1.00 0.00 H ATOM 940 N GLU A 92 -11.386 -12.177 -33.766 1.00 0.00 N ATOM 941 CA GLU A 92 -11.364 -13.563 -33.317 1.00 0.00 C ATOM 942 C GLU A 92 -10.055 -13.857 -32.593 1.00 0.00 C ATOM 943 O GLU A 92 -10.046 -14.473 -31.524 1.00 0.00 O ATOM 944 CB GLU A 92 -11.524 -14.522 -34.504 1.00 0.00 C ATOM 945 CG GLU A 92 -11.596 -15.990 -34.099 1.00 0.00 C ATOM 946 CD GLU A 92 -11.528 -16.935 -35.279 1.00 0.00 C ATOM 947 OE1 GLU A 92 -12.577 -17.192 -35.907 1.00 0.00 O ATOM 948 OE2 GLU A 92 -10.423 -17.434 -35.583 1.00 0.00 O ATOM 949 H GLU A 92 -11.444 -11.974 -34.784 1.00 0.00 H ATOM 950 N GLU A 93 -8.951 -13.408 -33.175 1.00 0.00 N ATOM 951 CA GLU A 93 -7.642 -13.609 -32.580 1.00 0.00 C ATOM 952 C GLU A 93 -7.514 -12.840 -31.263 1.00 0.00 C ATOM 953 O GLU A 93 -6.897 -13.325 -30.313 1.00 0.00 O ATOM 954 CB GLU A 93 -6.535 -13.216 -33.564 1.00 0.00 C ATOM 955 CG GLU A 93 -6.454 -14.137 -34.778 1.00 0.00 C ATOM 956 CD GLU A 93 -5.372 -13.738 -35.764 1.00 0.00 C ATOM 957 OE1 GLU A 93 -4.190 -13.664 -35.362 1.00 0.00 O ATOM 958 OE2 GLU A 93 -5.694 -13.519 -36.951 1.00 0.00 O ATOM 959 H GLU A 93 -9.025 -12.900 -34.079 1.00 0.00 H ATOM 960 N LEU A 94 -8.125 -11.657 -31.203 1.00 0.00 N ATOM 961 CA LEU A 94 -8.110 -10.842 -29.992 1.00 0.00 C ATOM 962 C LEU A 94 -8.839 -11.547 -28.856 1.00 0.00 C ATOM 963 O LEU A 94 -8.325 -11.633 -27.739 1.00 0.00 O ATOM 964 CB LEU A 94 -8.762 -9.476 -30.242 1.00 0.00 C ATOM 965 CG LEU A 94 -7.927 -8.458 -31.020 1.00 0.00 C ATOM 966 CD1 LEU A 94 -8.763 -7.235 -31.355 1.00 0.00 C ATOM 967 CD2 LEU A 94 -6.707 -8.052 -30.213 1.00 0.00 C ATOM 968 H LEU A 94 -8.627 -11.304 -32.043 1.00 0.00 H ATOM 969 N GLU A 95 -10.037 -12.048 -29.147 1.00 0.00 N ATOM 970 CA GLU A 95 -10.843 -12.741 -28.148 1.00 0.00 C ATOM 971 C GLU A 95 -10.135 -13.983 -27.604 1.00 0.00 C ATOM 972 O GLU A 95 -10.106 -14.205 -26.394 1.00 0.00 O ATOM 973 CB GLU A 95 -12.219 -13.118 -28.714 1.00 0.00 C ATOM 974 CG GLU A 95 -13.075 -11.921 -29.117 1.00 0.00 C ATOM 975 CD GLU A 95 -14.541 -12.275 -29.264 1.00 0.00 C ATOM 976 OE1 GLU A 95 -15.225 -12.411 -28.227 1.00 0.00 O ATOM 977 OE2 GLU A 95 -15.020 -12.425 -30.410 1.00 0.00 O ATOM 978 H GLU A 95 -10.409 -11.943 -30.113 1.00 0.00 H ATOM 979 N GLN A 96 -9.540 -14.773 -28.494 1.00 0.00 N ATOM 980 CA GLN A 96 -8.855 -16.006 -28.090 1.00 0.00 C ATOM 981 C GLN A 96 -7.649 -15.700 -27.218 1.00 0.00 C ATOM 982 O GLN A 96 -7.409 -16.367 -26.214 1.00 0.00 O ATOM 983 CB GLN A 96 -8.403 -16.789 -29.313 1.00 0.00 C ATOM 984 CG GLN A 96 -9.534 -17.292 -30.180 1.00 0.00 C ATOM 985 CD GLN A 96 -9.029 -17.890 -31.468 1.00 0.00 C ATOM 986 OE1 GLN A 96 -8.751 -19.082 -31.546 1.00 0.00 O ATOM 987 NE2 GLN A 96 -8.900 -17.067 -32.479 1.00 0.00 N ATOM 988 HE22 GLN A 96 -9.148 -16.063 -32.367 1.00 0.00 H ATOM 989 HE21 GLN A 96 -8.550 -17.417 -33.393 1.00 0.00 H ATOM 990 H GLN A 96 -9.561 -14.510 -29.500 1.00 0.00 H ATOM 991 N ALA A 97 -6.905 -14.681 -27.602 1.00 0.00 N ATOM 992 CA ALA A 97 -5.719 -14.291 -26.866 1.00 0.00 C ATOM 993 C ALA A 97 -6.109 -13.772 -25.492 1.00 0.00 C ATOM 994 O ALA A 97 -5.495 -14.126 -24.489 1.00 0.00 O ATOM 995 CB ALA A 97 -4.930 -13.246 -27.638 1.00 0.00 C ATOM 996 H ALA A 97 -7.175 -14.146 -28.452 1.00 0.00 H ATOM 997 N LEU A 98 -7.163 -12.967 -25.455 1.00 0.00 N ATOM 998 CA LEU A 98 -7.652 -12.397 -24.211 1.00 0.00 C ATOM 999 C LEU A 98 -8.102 -13.498 -23.252 1.00 0.00 C ATOM 1000 O LEU A 98 -7.749 -13.490 -22.064 1.00 0.00 O ATOM 1001 CB LEU A 98 -8.803 -11.408 -24.507 1.00 0.00 C ATOM 1002 CG LEU A 98 -9.466 -10.725 -23.298 1.00 0.00 C ATOM 1003 CD1 LEU A 98 -9.950 -9.340 -23.683 1.00 0.00 C ATOM 1004 CD2 LEU A 98 -10.639 -11.555 -22.784 1.00 0.00 C ATOM 1005 H LEU A 98 -7.654 -12.737 -26.343 1.00 0.00 H ATOM 1006 N GLN A 99 -8.874 -14.444 -23.770 1.00 0.00 N ATOM 1007 CA GLN A 99 -9.357 -15.561 -22.972 1.00 0.00 C ATOM 1008 C GLN A 99 -8.209 -16.414 -22.436 1.00 0.00 C ATOM 1009 O GLN A 99 -8.288 -16.938 -21.321 1.00 0.00 O ATOM 1010 CB GLN A 99 -10.326 -16.428 -23.778 1.00 0.00 C ATOM 1011 CG GLN A 99 -11.640 -15.741 -24.120 1.00 0.00 C ATOM 1012 CD GLN A 99 -12.416 -15.317 -22.887 1.00 0.00 C ATOM 1013 OE1 GLN A 99 -12.322 -15.945 -21.828 1.00 0.00 O ATOM 1014 NE2 GLN A 99 -13.199 -14.264 -23.017 1.00 0.00 N ATOM 1015 HE22 GLN A 99 -13.250 -13.763 -23.927 1.00 0.00 H ATOM 1016 HE21 GLN A 99 -13.766 -13.935 -22.210 1.00 0.00 H ATOM 1017 H GLN A 99 -9.141 -14.386 -24.773 1.00 0.00 H ATOM 1018 N LYS A 100 -7.144 -16.552 -23.217 1.00 0.00 N ATOM 1019 CA LYS A 100 -5.996 -17.340 -22.796 1.00 0.00 C ATOM 1020 C LYS A 100 -5.215 -16.640 -21.695 1.00 0.00 C ATOM 1021 O LYS A 100 -4.828 -17.265 -20.708 1.00 0.00 O ATOM 1022 CB LYS A 100 -5.081 -17.640 -23.979 1.00 0.00 C ATOM 1023 CG LYS A 100 -5.637 -18.676 -24.942 1.00 0.00 C ATOM 1024 CD LYS A 100 -4.648 -19.013 -26.058 1.00 0.00 C ATOM 1025 CE LYS A 100 -3.497 -19.907 -25.576 1.00 0.00 C ATOM 1026 NZ LYS A 100 -2.566 -19.211 -24.644 1.00 0.00 N ATOM 1027 HZ1 LYS A 100 -2.147 -18.389 -25.124 1.00 0.00 H ATOM 1028 HZ2 LYS A 100 -3.091 -18.893 -23.805 1.00 0.00 H ATOM 1029 HZ3 LYS A 100 -1.812 -19.867 -24.355 1.00 0.00 H ATOM 1030 H LYS A 100 -7.130 -16.088 -24.148 1.00 0.00 H ATOM 1031 N ILE A 101 -4.998 -15.340 -21.865 1.00 0.00 N ATOM 1032 CA ILE A 101 -4.252 -14.555 -20.891 1.00 0.00 C ATOM 1033 C ILE A 101 -4.947 -14.572 -19.532 1.00 0.00 C ATOM 1034 O ILE A 101 -4.303 -14.791 -18.509 1.00 0.00 O ATOM 1035 CB ILE A 101 -4.058 -13.092 -21.360 1.00 0.00 C ATOM 1036 CG1 ILE A 101 -3.253 -13.059 -22.660 1.00 0.00 C ATOM 1037 CG2 ILE A 101 -3.354 -12.272 -20.280 1.00 0.00 C ATOM 1038 CD1 ILE A 101 -3.166 -11.688 -23.288 1.00 0.00 C ATOM 1039 H ILE A 101 -5.370 -14.871 -22.715 1.00 0.00 H ATOM 1040 N ARG A 102 -6.266 -14.358 -19.523 1.00 0.00 N ATOM 1041 CA ARG A 102 -7.030 -14.383 -18.274 1.00 0.00 C ATOM 1042 C ARG A 102 -6.904 -15.724 -17.571 1.00 0.00 C ATOM 1043 O ARG A 102 -6.728 -15.779 -16.356 1.00 0.00 O ATOM 1044 CB ARG A 102 -8.509 -14.090 -18.522 1.00 0.00 C ATOM 1045 CG ARG A 102 -8.817 -12.648 -18.870 1.00 0.00 C ATOM 1046 CD ARG A 102 -10.308 -12.375 -18.749 1.00 0.00 C ATOM 1047 NE ARG A 102 -10.810 -12.744 -17.425 1.00 0.00 N ATOM 1048 CZ ARG A 102 -11.161 -11.882 -16.460 1.00 0.00 C ATOM 1049 NH1 ARG A 102 -11.104 -10.572 -16.663 1.00 0.00 N ATOM 1050 NH2 ARG A 102 -11.574 -12.342 -15.289 1.00 0.00 N ATOM 1051 HE ARG A 102 -10.902 -13.758 -17.215 1.00 0.00 H ATOM 1052 HH12 ARG A 102 -11.380 -9.916 -15.905 1.00 0.00 H ATOM 1053 HH11 ARG A 102 -10.784 -10.201 -17.580 1.00 0.00 H ATOM 1054 HH22 ARG A 102 -11.848 -11.678 -14.537 1.00 0.00 H ATOM 1055 HH21 ARG A 102 -11.625 -13.367 -15.122 1.00 0.00 H ATOM 1056 H ARG A 102 -6.759 -14.170 -20.419 1.00 0.00 H ATOM 1057 N GLU A 103 -6.986 -16.799 -18.342 1.00 0.00 N ATOM 1058 CA GLU A 103 -6.905 -18.141 -17.790 1.00 0.00 C ATOM 1059 C GLU A 103 -5.553 -18.345 -17.119 1.00 0.00 C ATOM 1060 O GLU A 103 -5.478 -18.838 -15.987 1.00 0.00 O ATOM 1061 CB GLU A 103 -7.137 -19.176 -18.912 1.00 0.00 C ATOM 1062 CG GLU A 103 -7.359 -20.615 -18.440 1.00 0.00 C ATOM 1063 CD GLU A 103 -6.071 -21.376 -18.179 1.00 0.00 C ATOM 1064 OE1 GLU A 103 -5.451 -21.855 -19.154 1.00 0.00 O ATOM 1065 OE2 GLU A 103 -5.693 -21.528 -17.001 1.00 0.00 O ATOM 1066 H GLU A 103 -7.111 -16.679 -19.367 1.00 0.00 H ATOM 1067 N LEU A 104 -4.491 -17.935 -17.806 1.00 0.00 N ATOM 1068 CA LEU A 104 -3.139 -18.056 -17.286 1.00 0.00 C ATOM 1069 C LEU A 104 -2.939 -17.172 -16.064 1.00 0.00 C ATOM 1070 O LEU A 104 -2.351 -17.589 -15.085 1.00 0.00 O ATOM 1071 CB LEU A 104 -2.130 -17.638 -18.362 1.00 0.00 C ATOM 1072 CG LEU A 104 -2.115 -18.474 -19.640 1.00 0.00 C ATOM 1073 CD1 LEU A 104 -1.065 -17.947 -20.606 1.00 0.00 C ATOM 1074 CD2 LEU A 104 -1.868 -19.935 -19.324 1.00 0.00 C ATOM 1075 H LEU A 104 -4.632 -17.514 -18.746 1.00 0.00 H ATOM 1076 N ALA A 105 -3.450 -15.953 -16.137 1.00 0.00 N ATOM 1077 CA ALA A 105 -3.263 -14.961 -15.083 1.00 0.00 C ATOM 1078 C ALA A 105 -3.943 -15.349 -13.775 1.00 0.00 C ATOM 1079 O ALA A 105 -3.503 -14.944 -12.702 1.00 0.00 O ATOM 1080 CB ALA A 105 -3.761 -13.609 -15.549 1.00 0.00 C ATOM 1081 H ALA A 105 -4.005 -15.693 -16.977 1.00 0.00 H ATOM 1082 N GLU A 106 -5.012 -16.120 -13.859 1.00 0.00 N ATOM 1083 CA GLU A 106 -5.736 -16.534 -12.661 1.00 0.00 C ATOM 1084 C GLU A 106 -5.012 -17.645 -11.902 1.00 0.00 C ATOM 1085 O GLU A 106 -5.372 -17.964 -10.767 1.00 0.00 O ATOM 1086 CB GLU A 106 -7.155 -16.977 -13.002 1.00 0.00 C ATOM 1087 CG GLU A 106 -8.093 -15.837 -13.345 1.00 0.00 C ATOM 1088 CD GLU A 106 -9.539 -16.267 -13.323 1.00 0.00 C ATOM 1089 OE1 GLU A 106 -10.041 -16.740 -14.358 1.00 0.00 O ATOM 1090 OE2 GLU A 106 -10.180 -16.145 -12.259 1.00 0.00 O ATOM 1091 H GLU A 106 -5.343 -16.437 -14.793 1.00 0.00 H ATOM 1092 N LYS A 107 -3.998 -18.226 -12.518 1.00 0.00 N ATOM 1093 CA LYS A 107 -3.244 -19.327 -11.917 1.00 0.00 C ATOM 1094 C LYS A 107 -1.786 -19.165 -12.309 1.00 0.00 C ATOM 1095 O LYS A 107 -1.369 -18.076 -12.695 1.00 0.00 O ATOM 1096 CB LYS A 107 -3.754 -20.675 -12.461 1.00 0.00 C ATOM 1097 CG LYS A 107 -5.257 -20.750 -12.667 1.00 0.00 C ATOM 1098 CD LYS A 107 -5.662 -22.062 -13.310 1.00 0.00 C ATOM 1099 CE LYS A 107 -7.083 -22.004 -13.837 1.00 0.00 C ATOM 1100 NZ LYS A 107 -7.224 -21.009 -14.932 1.00 0.00 N ATOM 1101 HZ1 LYS A 107 -6.968 -20.066 -14.577 1.00 0.00 H ATOM 1102 HZ2 LYS A 107 -6.594 -21.268 -15.718 1.00 0.00 H ATOM 1103 HZ3 LYS A 107 -8.209 -20.999 -15.265 1.00 0.00 H ATOM 1104 H LYS A 107 -3.726 -17.889 -13.464 1.00 0.00 H ATOM 1105 N LYS A 108 -0.993 -20.206 -12.151 1.00 0.00 N ATOM 1106 CA LYS A 108 0.343 -20.197 -12.698 1.00 0.00 C ATOM 1107 C LYS A 108 0.486 -21.379 -13.647 1.00 0.00 C ATOM 1108 O LYS A 108 0.374 -22.534 -13.237 1.00 0.00 O ATOM 1109 CB LYS A 108 1.409 -20.259 -11.579 1.00 0.00 C ATOM 1110 CG LYS A 108 2.821 -19.827 -12.020 1.00 0.00 C ATOM 1111 CD LYS A 108 3.433 -20.791 -13.031 1.00 0.00 C ATOM 1112 CE LYS A 108 4.679 -20.215 -13.681 1.00 0.00 C ATOM 1113 NZ LYS A 108 5.142 -21.051 -14.818 1.00 0.00 N ATOM 1114 HZ1 LYS A 108 5.363 -22.008 -14.476 1.00 0.00 H ATOM 1115 HZ2 LYS A 108 4.392 -21.103 -15.536 1.00 0.00 H ATOM 1116 HZ3 LYS A 108 5.994 -20.625 -15.235 1.00 0.00 H ATOM 1117 H LYS A 108 -1.332 -21.039 -11.629 1.00 0.00 H ATOM 1118 N ASN A 109 0.699 -21.088 -14.909 1.00 0.00 N ATOM 1119 CA ASN A 109 0.876 -22.126 -15.906 1.00 0.00 C ATOM 1120 C ASN A 109 2.342 -22.459 -16.062 1.00 0.00 C ATOM 1121 O ASN A 109 3.106 -21.578 -16.497 1.00 0.00 O ATOM 1122 CB ASN A 109 0.271 -21.703 -17.244 1.00 0.00 C ATOM 1123 CG ASN A 109 0.596 -22.669 -18.373 1.00 0.00 C ATOM 1124 OD1 ASN A 109 -0.066 -23.691 -18.549 1.00 0.00 O ATOM 1125 ND2 ASN A 109 1.601 -22.339 -19.153 1.00 0.00 N ATOM 1126 OXT ASN A 109 2.730 -23.595 -15.742 1.00 0.00 O ATOM 1127 HD22 ASN A 109 2.136 -21.466 -18.970 1.00 0.00 H ATOM 1128 HD21 ASN A 109 1.861 -22.951 -19.953 1.00 0.00 H ATOM 1129 H ASN A 109 0.742 -20.091 -15.200 1.00 0.00 H TER 1130 ASN A 109 HETATM 1131 NA1 UNN A 1 -0.519 -8.320 -18.808 1.00 0.03 N HETATM 1132 C1A UNN A 1 0.460 -8.883 -18.031 1.00 0.27 C HETATM 1133 CHA UNN A 1 0.230 -9.756 -16.930 1.00 0.20 C HETATM 1134 C1FA UNN A 1 1.501 -10.322 -16.282 1.00 0.41 C HETATM 1135 F21A UNN A 1 2.101 -9.408 -15.493 1.00 -0.22 F HETATM 1136 F22A UNN A 1 2.430 -10.665 -17.203 1.00 -0.22 F HETATM 1137 F23A UNN A 1 1.314 -11.420 -15.514 1.00 -0.22 F HETATM 1138 C4D UNN A 1 -1.031 -9.994 -16.333 1.00 0.12 C HETATM 1139 ND4 UNN A 1 -2.229 -9.616 -16.896 1.00 -0.24 N HETATM 1140 C1D UNN A 1 -3.223 -9.969 -16.021 1.00 0.12 C HETATM 1141 CHD UNN A 1 -4.616 -9.901 -16.327 1.00 0.17 C HETATM 1142 C1FD UNN A 1 -5.623 -10.210 -15.217 1.00 0.39 C HETATM 1143 F21D UNN A 1 -6.710 -9.406 -15.250 1.00 -0.23 F HETATM 1144 F22D UNN A 1 -5.083 -10.040 -13.994 1.00 -0.23 F HETATM 1145 F23D UNN A 1 -6.075 -11.484 -15.277 1.00 -0.23 F HETATM 1146 C4C UNN A 1 -5.144 -9.720 -17.632 1.00 0.23 C HETATM 1147 C3C UNN A 1 -6.501 -10.037 -18.044 1.00 0.07 C HETATM 1148 C2C UNN A 1 -6.558 -9.860 -19.381 1.00 0.07 C HETATM 1149 C1C UNN A 1 -5.232 -9.426 -19.817 1.00 0.23 C HETATM 1150 CHC UNN A 1 -4.880 -9.039 -21.140 1.00 0.17 C HETATM 1151 C1FC UNN A 1 -5.956 -9.329 -22.188 1.00 0.39 C HETATM 1152 F21C UNN A 1 -5.521 -9.374 -23.457 1.00 -0.23 F HETATM 1153 F22C UNN A 1 -6.548 -10.528 -21.977 1.00 -0.23 F HETATM 1154 F23C UNN A 1 -6.938 -8.399 -22.153 1.00 -0.23 F HETATM 1155 C4B UNN A 1 -3.749 -8.257 -21.482 1.00 0.12 C HETATM 1156 NB2 UNN A 1 -2.710 -8.002 -20.619 1.00 -0.24 N HETATM 1157 C1B UNN A 1 -1.844 -7.152 -21.258 1.00 0.12 C HETATM 1158 CHB UNN A 1 -0.575 -6.779 -20.734 1.00 0.20 C HETATM 1159 C1FB UNN A 1 0.242 -5.708 -21.456 1.00 0.41 C HETATM 1160 F21B UNN A 1 -0.545 -4.738 -21.984 1.00 -0.22 F HETATM 1161 F22B UNN A 1 0.977 -6.182 -22.485 1.00 -0.22 F HETATM 1162 F23B UNN A 1 1.099 -5.094 -20.620 1.00 -0.22 F HETATM 1163 C4A UNN A 1 0.093 -7.473 -19.689 1.00 0.27 C HETATM 1164 C3A UNN A 1 1.531 -7.485 -19.453 1.00 0.10 C HETATM 1165 C2A UNN A 1 1.759 -8.354 -18.443 1.00 0.10 C HETATM 1166 H UNN A 1 2.728 -8.612 -18.016 1.00 0.12 H HETATM 1167 H UNN A 1 2.281 -6.903 -19.989 1.00 0.12 H HETATM 1168 C2B UNN A 1 -2.358 -6.849 -22.582 1.00 0.03 C HETATM 1169 C3B UNN A 1 -3.522 -7.529 -22.721 1.00 0.03 C HETATM 1170 H UNN A 1 -4.168 -7.530 -23.599 1.00 0.11 H HETATM 1171 H UNN A 1 -1.895 -6.198 -23.324 1.00 0.08 H HETATM 1172 ZN UNN A 1 -2.569 -8.436 -18.591 1.00 -2.00 ZN HETATM 1173 NC3 UNN A 1 -4.404 -9.356 -18.730 1.00 -0.00 N HETATM 1174 H UNN A 1 -7.430 -10.012 -20.017 1.00 0.10 H HETATM 1175 H UNN A 1 -7.317 -10.357 -17.397 1.00 0.10 H HETATM 1176 C2D UNN A 1 -2.626 -10.582 -14.844 1.00 0.03 C HETATM 1177 C3D UNN A 1 -1.288 -10.602 -15.040 1.00 0.03 C HETATM 1178 H UNN A 1 -0.541 -11.001 -14.354 1.00 0.08 H HETATM 1179 H UNN A 1 -3.158 -10.955 -13.969 1.00 0.11 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1131 1132 1163 1172 CONECT 1132 1131 1133 1165 CONECT 1133 1132 1134 1138 CONECT 1134 1133 1135 1136 1137 CONECT 1135 1134 CONECT 1136 1134 CONECT 1137 1134 CONECT 1138 1133 1139 1177 CONECT 1139 1138 1140 1172 CONECT 1140 1139 1141 1176 CONECT 1141 1140 1142 1146 CONECT 1142 1141 1143 1144 1145 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1142 CONECT 1146 1141 1147 1173 CONECT 1147 1146 1148 1175 CONECT 1148 1147 1149 1174 CONECT 1149 1148 1150 1173 CONECT 1150 1149 1151 1155 CONECT 1151 1150 1152 1153 1154 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1151 CONECT 1155 1150 1156 1169 CONECT 1156 1155 1157 1172 CONECT 1157 1156 1158 1168 CONECT 1158 1157 1159 1163 CONECT 1159 1158 1160 1161 1162 CONECT 1160 1159 CONECT 1161 1159 CONECT 1162 1159 CONECT 1163 1131 1158 1164 CONECT 1164 1163 1165 1167 CONECT 1165 1132 1164 1166 CONECT 1166 1165 CONECT 1167 1164 CONECT 1168 1157 1169 1171 CONECT 1169 1155 1168 1170 CONECT 1170 1169 CONECT 1171 1168 CONECT 1172 1131 1139 1156 1173 CONECT 1173 1146 1149 1172 CONECT 1174 1148 CONECT 1175 1147 CONECT 1176 1140 1177 1179 CONECT 1177 1138 1176 1178 CONECT 1178 1177 CONECT 1179 1176 MASTER 0 0 0 0 0 0 0 0 1178 1 53 9 END
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Related entries of code: 5tgy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5tgy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PS1
Ligand Name
7BU
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=45nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nat Chem Vol. 9: pp. 1157-1164
Ligand Properties
Formula
C
2
4
H
8
F
1
2
N
4
Zn
Molecular Weight
645.708
Exact Mass
643.985
No. of atoms
49
No. of bonds
56
Polar Surface Area
19.72
LOGP Value
7.95 (
Computed with XLOGP3
)
3.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 8
Canonical SMILES
FC(C1=c2ccc3n2[Zn@@]24n5c1ccc5C(=c1n2c(cc1)C(=c1n4c(=C3C(F)(F)F)cc1)C(F)(F)F)C(F)(F)F)(F)F
InChI String
InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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