Browse entries in the PDBbind-CN Database
HEADER 1PUS_COMPLEX COMPND 1PUS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 MET LYS LYS LEU GLN ILE ALA VAL GLY ILE ILE ARG ASN SEQRES 2 A 129 GLU ASN ASN GLU ILE PHE ILE THR ARG ARG ALA ALA ASP SEQRES 3 A 129 ALA HIS MET ALA ASN LYS LEU GLU PHE PRO GLY GLY LYS SEQRES 4 A 129 ILE GLU MET GLY GLU THR PRO GLU GLN ALA VAL VAL ARG SEQRES 5 A 129 GLU LEU GLN GLU GLU VAL GLY ILE THR PRO GLN HIS PHE SEQRES 6 A 129 SER LEU PHE GLU LYS LEU GLU TYR GLU PHE PRO ASP ARG SEQRES 7 A 129 HIS ILE THR LEU TRP PHE TRP LEU VAL GLU ARG TRP GLU SEQRES 8 A 129 GLY GLU PRO TRP GLY LYS GLU GLY GLN PRO GLY GLU TRP SEQRES 9 A 129 MET SER LEU VAL GLY LEU ASN ALA ASP ASP PHE PRO PRO SEQRES 10 A 129 ALA ASN GLU PRO VAL ILE ALA LYS LEU LYS ARG LEU HET MG A 1 1 HET UNN A 133 36 ATOM 1 N MET A 1 -24.411 -7.437 -3.864 1.00 0.00 N ATOM 2 CA MET A 1 -23.121 -8.168 -3.767 1.00 0.00 C ATOM 3 C MET A 1 -21.965 -7.318 -4.286 1.00 0.00 C ATOM 4 O MET A 1 -21.166 -7.771 -5.107 1.00 0.00 O ATOM 5 CB MET A 1 -23.233 -9.462 -4.576 1.00 0.00 C ATOM 6 CG MET A 1 -22.470 -10.627 -3.968 1.00 0.00 C ATOM 7 SD MET A 1 -23.317 -12.203 -4.191 1.00 0.00 S ATOM 8 CE MET A 1 -22.400 -12.888 -5.569 1.00 0.00 C ATOM 9 HA MET A 1 -22.915 -8.396 -2.721 1.00 0.00 H ATOM 10 HB2 MET A 1 -24.286 -9.737 -4.643 1.00 0.00 H ATOM 11 HB3 MET A 1 -22.842 -9.278 -5.577 1.00 0.00 H ATOM 12 HG2 MET A 1 -22.347 -10.445 -2.900 1.00 0.00 H ATOM 13 HG3 MET A 1 -21.490 -10.687 -4.441 1.00 0.00 H ATOM 14 HE1 MET A 1 -22.485 -12.222 -6.427 1.00 0.00 H ATOM 15 HE2 MET A 1 -21.351 -12.992 -5.290 1.00 0.00 H ATOM 16 HE3 MET A 1 -22.808 -13.866 -5.825 1.00 0.00 H ATOM 17 HN3 MET A 1 -24.597 -7.195 -4.858 1.00 0.00 H ATOM 18 HN2 MET A 1 -24.358 -6.566 -3.298 1.00 0.00 H ATOM 19 HN1 MET A 1 -25.178 -8.040 -3.504 1.00 0.00 H ATOM 20 N LYS A 2 -21.882 -6.083 -3.802 1.00 0.00 N ATOM 21 CA LYS A 2 -20.824 -5.169 -4.217 1.00 0.00 C ATOM 22 C LYS A 2 -19.491 -5.559 -3.587 1.00 0.00 C ATOM 23 O LYS A 2 -19.377 -5.663 -2.366 1.00 0.00 O ATOM 24 CB LYS A 2 -21.183 -3.732 -3.832 1.00 0.00 C ATOM 25 CG LYS A 2 -20.446 -2.682 -4.648 1.00 0.00 C ATOM 26 CD LYS A 2 -20.528 -1.312 -3.996 1.00 0.00 C ATOM 27 CE LYS A 2 -21.955 -0.788 -3.978 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.256 -0.038 -2.727 1.00 0.00 N ATOM 29 HA LYS A 2 -20.726 -5.234 -5.301 1.00 0.00 H ATOM 30 HB2 LYS A 2 -22.254 -3.593 -3.978 1.00 0.00 H ATOM 31 HB3 LYS A 2 -20.939 -3.585 -2.780 1.00 0.00 H ATOM 32 HG2 LYS A 2 -19.399 -2.971 -4.735 1.00 0.00 H ATOM 33 HG3 LYS A 2 -20.891 -2.629 -5.642 1.00 0.00 H ATOM 34 HD2 LYS A 2 -20.164 -1.385 -2.971 1.00 0.00 H ATOM 35 HD3 LYS A 2 -19.902 -0.616 -4.554 1.00 0.00 H ATOM 36 HE2 LYS A 2 -22.641 -1.631 -4.057 1.00 0.00 H ATOM 37 HE3 LYS A 2 -22.097 -0.124 -4.830 1.00 0.00 H ATOM 38 HZ1 LYS A 2 -22.129 -0.667 -1.908 1.00 0.00 H ATOM 39 HZ2 LYS A 2 -21.610 0.773 -2.646 1.00 0.00 H ATOM 40 HZ3 LYS A 2 -23.239 0.302 -2.756 1.00 0.00 H ATOM 41 H LYS A 2 -22.589 -5.761 -3.111 1.00 0.00 H ATOM 42 N LYS A 3 -18.485 -5.772 -4.429 1.00 0.00 N ATOM 43 CA LYS A 3 -17.159 -6.150 -3.954 1.00 0.00 C ATOM 44 C LYS A 3 -16.078 -5.324 -4.644 1.00 0.00 C ATOM 45 O LYS A 3 -16.190 -5.001 -5.827 1.00 0.00 O ATOM 46 CB LYS A 3 -16.912 -7.640 -4.200 1.00 0.00 C ATOM 47 CG LYS A 3 -16.889 -8.019 -5.672 1.00 0.00 C ATOM 48 CD LYS A 3 -17.307 -9.466 -5.881 1.00 0.00 C ATOM 49 CE LYS A 3 -18.759 -9.568 -6.320 1.00 0.00 C ATOM 50 NZ LYS A 3 -18.892 -9.569 -7.803 1.00 0.00 N ATOM 51 HA LYS A 3 -17.114 -5.953 -2.883 1.00 0.00 H ATOM 52 HB2 LYS A 3 -15.951 -7.907 -3.760 1.00 0.00 H ATOM 53 HB3 LYS A 3 -17.704 -8.206 -3.711 1.00 0.00 H ATOM 54 HG2 LYS A 3 -17.575 -7.370 -6.216 1.00 0.00 H ATOM 55 HG3 LYS A 3 -15.879 -7.883 -6.058 1.00 0.00 H ATOM 56 HD2 LYS A 3 -16.673 -9.911 -6.648 1.00 0.00 H ATOM 57 HD3 LYS A 3 -17.180 -10.010 -4.945 1.00 0.00 H ATOM 58 HE2 LYS A 3 -19.310 -8.718 -5.917 1.00 0.00 H ATOM 59 HE3 LYS A 3 -19.182 -10.493 -5.927 1.00 0.00 H ATOM 60 HZ1 LYS A 3 -18.497 -8.687 -8.186 1.00 0.00 H ATOM 61 HZ2 LYS A 3 -18.375 -10.381 -8.196 1.00 0.00 H ATOM 62 HZ3 LYS A 3 -19.897 -9.640 -8.060 1.00 0.00 H ATOM 63 H LYS A 3 -18.647 -5.667 -5.451 1.00 0.00 H ATOM 64 N LEU A 4 -15.033 -4.983 -3.897 1.00 0.00 N ATOM 65 CA LEU A 4 -13.933 -4.194 -4.437 1.00 0.00 C ATOM 66 C LEU A 4 -12.605 -4.607 -3.808 1.00 0.00 C ATOM 67 O LEU A 4 -12.477 -4.668 -2.585 1.00 0.00 O ATOM 68 CB LEU A 4 -14.185 -2.704 -4.202 1.00 0.00 C ATOM 69 CG LEU A 4 -14.554 -2.331 -2.766 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.300 -2.096 -1.938 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.447 -1.099 -2.750 1.00 0.00 C ATOM 72 HA LEU A 4 -13.876 -4.380 -5.510 1.00 0.00 H ATOM 73 HB2 LEU A 4 -13.279 -2.161 -4.471 1.00 0.00 H ATOM 74 HB3 LEU A 4 -15.001 -2.392 -4.853 1.00 0.00 H ATOM 75 HG LEU A 4 -15.106 -3.160 -2.323 1.00 0.00 H ATOM 76 HD21 LEU A 4 -14.919 -0.263 -3.210 1.00 0.00 H ATOM 77 HD22 LEU A 4 -16.360 -1.306 -3.309 1.00 0.00 H ATOM 78 HD23 LEU A 4 -15.700 -0.848 -1.720 1.00 0.00 H ATOM 79 HD11 LEU A 4 -12.699 -3.005 -1.925 1.00 0.00 H ATOM 80 HD12 LEU A 4 -12.722 -1.283 -2.378 1.00 0.00 H ATOM 81 HD13 LEU A 4 -13.583 -1.832 -0.919 1.00 0.00 H ATOM 82 H LEU A 4 -14.999 -5.287 -2.903 1.00 0.00 H ATOM 83 N GLN A 5 -11.625 -4.902 -4.655 1.00 0.00 N ATOM 84 CA GLN A 5 -10.308 -5.325 -4.193 1.00 0.00 C ATOM 85 C GLN A 5 -9.279 -4.207 -4.281 1.00 0.00 C ATOM 86 O GLN A 5 -9.389 -3.299 -5.105 1.00 0.00 O ATOM 87 CB GLN A 5 -9.818 -6.512 -5.013 1.00 0.00 C ATOM 88 CG GLN A 5 -10.811 -7.653 -5.052 1.00 0.00 C ATOM 89 CD GLN A 5 -10.181 -8.968 -5.470 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.090 -8.993 -6.038 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.869 -10.069 -5.189 1.00 0.00 N ATOM 92 HA GLN A 5 -10.417 -5.607 -3.146 1.00 0.00 H ATOM 93 HB2 GLN A 5 -9.633 -6.177 -6.034 1.00 0.00 H ATOM 94 HB3 GLN A 5 -8.888 -6.876 -4.577 1.00 0.00 H ATOM 95 HG2 GLN A 5 -11.242 -7.774 -4.058 1.00 0.00 H ATOM 96 HG3 GLN A 5 -11.600 -7.404 -5.761 1.00 0.00 H ATOM 97 HE22 GLN A 5 -11.788 -9.999 -4.707 1.00 0.00 H ATOM 98 HE21 GLN A 5 -10.489 -11.001 -5.451 1.00 0.00 H ATOM 99 H GLN A 5 -11.802 -4.829 -5.677 1.00 0.00 H ATOM 100 N ILE A 6 -8.267 -4.306 -3.431 1.00 0.00 N ATOM 101 CA ILE A 6 -7.181 -3.342 -3.390 1.00 0.00 C ATOM 102 C ILE A 6 -5.881 -4.048 -3.013 1.00 0.00 C ATOM 103 O ILE A 6 -5.847 -4.829 -2.062 1.00 0.00 O ATOM 104 CB ILE A 6 -7.471 -2.209 -2.383 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.610 -1.327 -2.893 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.223 -1.374 -2.135 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.310 -0.655 -4.215 1.00 0.00 C ATOM 108 HA ILE A 6 -7.086 -2.897 -4.380 1.00 0.00 H ATOM 109 HB ILE A 6 -7.773 -2.659 -1.437 1.00 0.00 H ATOM 110 HG12 ILE A 6 -9.498 -1.947 -3.015 1.00 0.00 H ATOM 111 HG13 ILE A 6 -8.807 -0.554 -2.150 1.00 0.00 H ATOM 112 HD11 ILE A 6 -7.430 -0.021 -4.107 1.00 0.00 H ATOM 113 HD12 ILE A 6 -8.122 -1.415 -4.973 1.00 0.00 H ATOM 114 HD13 ILE A 6 -9.163 -0.046 -4.514 1.00 0.00 H ATOM 115 HG21 ILE A 6 -5.436 -2.011 -1.731 1.00 0.00 H ATOM 116 HG22 ILE A 6 -5.890 -0.933 -3.075 1.00 0.00 H ATOM 117 HG23 ILE A 6 -6.453 -0.582 -1.422 1.00 0.00 H ATOM 118 H ILE A 6 -8.250 -5.106 -2.767 1.00 0.00 H ATOM 119 N ALA A 7 -4.814 -3.774 -3.754 1.00 0.00 N ATOM 120 CA ALA A 7 -3.525 -4.395 -3.474 1.00 0.00 C ATOM 121 C ALA A 7 -2.464 -3.331 -3.272 1.00 0.00 C ATOM 122 O ALA A 7 -2.266 -2.483 -4.133 1.00 0.00 O ATOM 123 CB ALA A 7 -3.131 -5.333 -4.607 1.00 0.00 C ATOM 124 HA ALA A 7 -3.610 -4.979 -2.558 1.00 0.00 H ATOM 125 HB1 ALA A 7 -3.886 -6.112 -4.711 1.00 0.00 H ATOM 126 HB2 ALA A 7 -3.059 -4.768 -5.536 1.00 0.00 H ATOM 127 HB3 ALA A 7 -2.166 -5.788 -4.382 1.00 0.00 H ATOM 128 H ALA A 7 -4.899 -3.106 -4.547 1.00 0.00 H ATOM 129 N VAL A 8 -1.785 -3.374 -2.133 1.00 0.00 N ATOM 130 CA VAL A 8 -0.754 -2.388 -1.834 1.00 0.00 C ATOM 131 C VAL A 8 0.602 -3.035 -1.600 1.00 0.00 C ATOM 132 O VAL A 8 0.702 -4.233 -1.339 1.00 0.00 O ATOM 133 CB VAL A 8 -1.124 -1.519 -0.604 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.609 -1.626 -0.282 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.284 -1.901 0.609 1.00 0.00 C ATOM 136 HA VAL A 8 -0.690 -1.746 -2.713 1.00 0.00 H ATOM 137 HB VAL A 8 -0.906 -0.481 -0.856 1.00 0.00 H ATOM 138 HG11 VAL A 8 -3.191 -1.284 -1.138 1.00 0.00 H ATOM 139 HG12 VAL A 8 -2.858 -2.664 -0.063 1.00 0.00 H ATOM 140 HG13 VAL A 8 -2.837 -1.006 0.585 1.00 0.00 H ATOM 141 HG21 VAL A 8 -0.459 -2.948 0.855 1.00 0.00 H ATOM 142 HG22 VAL A 8 0.771 -1.752 0.380 1.00 0.00 H ATOM 143 HG23 VAL A 8 -0.565 -1.275 1.456 1.00 0.00 H ATOM 144 H VAL A 8 -1.992 -4.123 -1.442 1.00 0.00 H ATOM 145 N GLY A 9 1.640 -2.214 -1.683 1.00 0.00 N ATOM 146 CA GLY A 9 2.988 -2.687 -1.467 1.00 0.00 C ATOM 147 C GLY A 9 3.886 -1.594 -0.924 1.00 0.00 C ATOM 148 O GLY A 9 4.177 -0.621 -1.620 1.00 0.00 O ATOM 149 HA3 GLY A 9 3.395 -3.040 -2.415 1.00 0.00 H ATOM 150 HA2 GLY A 9 2.963 -3.511 -0.754 1.00 0.00 H ATOM 151 H GLY A 9 1.481 -1.211 -1.908 1.00 0.00 H ATOM 152 N ILE A 10 4.330 -1.752 0.316 1.00 0.00 N ATOM 153 CA ILE A 10 5.207 -0.760 0.937 1.00 0.00 C ATOM 154 C ILE A 10 6.584 -0.813 0.290 1.00 0.00 C ATOM 155 O ILE A 10 7.335 -1.766 0.493 1.00 0.00 O ATOM 156 CB ILE A 10 5.357 -0.957 2.471 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.566 -2.172 2.971 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.913 0.299 3.208 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.645 -2.373 4.469 1.00 0.00 C ATOM 160 HA ILE A 10 4.742 0.213 0.778 1.00 0.00 H ATOM 161 HB ILE A 10 6.411 -1.143 2.677 1.00 0.00 H ATOM 162 HG12 ILE A 10 3.520 -2.039 2.696 1.00 0.00 H ATOM 163 HG13 ILE A 10 4.959 -3.064 2.482 1.00 0.00 H ATOM 164 HD11 ILE A 10 5.685 -2.519 4.760 1.00 0.00 H ATOM 165 HD12 ILE A 10 4.245 -1.494 4.974 1.00 0.00 H ATOM 166 HD13 ILE A 10 4.062 -3.250 4.748 1.00 0.00 H ATOM 167 HG21 ILE A 10 5.530 1.141 2.894 1.00 0.00 H ATOM 168 HG22 ILE A 10 3.869 0.506 2.975 1.00 0.00 H ATOM 169 HG23 ILE A 10 5.023 0.147 4.282 1.00 0.00 H ATOM 170 H ILE A 10 4.050 -2.596 0.856 1.00 0.00 H ATOM 171 N ILE A 11 6.902 0.206 -0.503 1.00 0.00 N ATOM 172 CA ILE A 11 8.184 0.259 -1.201 1.00 0.00 C ATOM 173 C ILE A 11 9.336 0.528 -0.242 1.00 0.00 C ATOM 174 O ILE A 11 9.334 1.515 0.490 1.00 0.00 O ATOM 175 CB ILE A 11 8.197 1.331 -2.308 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.812 1.465 -2.951 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.243 0.978 -3.356 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.830 2.173 -4.289 1.00 0.00 C ATOM 179 HA ILE A 11 8.316 -0.722 -1.658 1.00 0.00 H ATOM 180 HB ILE A 11 8.454 2.292 -1.862 1.00 0.00 H ATOM 181 HG12 ILE A 11 6.401 0.466 -3.095 1.00 0.00 H ATOM 182 HG13 ILE A 11 6.170 2.026 -2.272 1.00 0.00 H ATOM 183 HD11 ILE A 11 7.228 3.179 -4.161 1.00 0.00 H ATOM 184 HD12 ILE A 11 7.460 1.618 -4.984 1.00 0.00 H ATOM 185 HD13 ILE A 11 5.815 2.230 -4.682 1.00 0.00 H ATOM 186 HG21 ILE A 11 10.225 0.933 -2.886 1.00 0.00 H ATOM 187 HG22 ILE A 11 9.004 0.009 -3.795 1.00 0.00 H ATOM 188 HG23 ILE A 11 9.246 1.740 -4.135 1.00 0.00 H ATOM 189 H ILE A 11 6.222 0.983 -0.629 1.00 0.00 H ATOM 190 N ARG A 12 10.320 -0.365 -0.256 1.00 0.00 N ATOM 191 CA ARG A 12 11.487 -0.241 0.609 1.00 0.00 C ATOM 192 C ARG A 12 12.565 0.620 -0.032 1.00 0.00 C ATOM 193 O ARG A 12 13.023 0.338 -1.143 1.00 0.00 O ATOM 194 CB ARG A 12 12.061 -1.619 0.934 1.00 0.00 C ATOM 195 CG ARG A 12 11.776 -2.070 2.356 1.00 0.00 C ATOM 196 CD ARG A 12 13.056 -2.235 3.160 1.00 0.00 C ATOM 197 NE ARG A 12 12.789 -2.627 4.542 1.00 0.00 N ATOM 198 CZ ARG A 12 13.699 -3.169 5.347 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.935 -3.385 4.914 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.373 -3.497 6.590 1.00 0.00 N ATOM 201 HA ARG A 12 11.161 0.243 1.530 1.00 0.00 H ATOM 202 HB2 ARG A 12 11.627 -2.345 0.247 1.00 0.00 H ATOM 203 HB3 ARG A 12 13.141 -1.586 0.791 1.00 0.00 H ATOM 204 HG2 ARG A 12 11.146 -1.326 2.843 1.00 0.00 H ATOM 205 HG3 ARG A 12 11.252 -3.025 2.326 1.00 0.00 H ATOM 206 HD2 ARG A 12 13.596 -1.288 3.161 1.00 0.00 H ATOM 207 HD3 ARG A 12 13.671 -3.002 2.689 1.00 0.00 H ATOM 208 HE ARG A 12 11.832 -2.473 4.918 1.00 0.00 H ATOM 209 HH12 ARG A 12 15.642 -3.809 5.548 1.00 0.00 H ATOM 210 HH11 ARG A 12 15.197 -3.130 3.940 1.00 0.00 H ATOM 211 HH22 ARG A 12 14.084 -3.921 7.220 1.00 0.00 H ATOM 212 HH21 ARG A 12 12.406 -3.330 6.935 1.00 0.00 H ATOM 213 H ARG A 12 10.256 -1.176 -0.903 1.00 0.00 H ATOM 214 N ASN A 13 12.961 1.665 0.689 1.00 0.00 N ATOM 215 CA ASN A 13 13.990 2.592 0.225 1.00 0.00 C ATOM 216 C ASN A 13 15.388 2.028 0.421 1.00 0.00 C ATOM 217 O ASN A 13 15.572 0.865 0.781 1.00 0.00 O ATOM 218 CB ASN A 13 13.883 3.932 0.943 1.00 0.00 C ATOM 219 CG ASN A 13 14.527 5.088 0.193 1.00 0.00 C ATOM 220 OD1 ASN A 13 15.071 6.006 0.805 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.471 5.055 -1.135 1.00 0.00 N ATOM 222 HA ASN A 13 13.822 2.739 -0.842 1.00 0.00 H ATOM 223 HB2 ASN A 13 12.827 4.161 1.086 1.00 0.00 H ATOM 224 HB3 ASN A 13 14.368 3.840 1.915 1.00 0.00 H ATOM 225 HD22 ASN A 13 14.002 4.261 -1.616 1.00 0.00 H ATOM 226 HD21 ASN A 13 14.896 5.823 -1.693 1.00 0.00 H ATOM 227 H ASN A 13 12.522 1.828 1.617 1.00 0.00 H ATOM 228 N GLU A 14 16.363 2.880 0.161 1.00 0.00 N ATOM 229 CA GLU A 14 17.774 2.529 0.275 1.00 0.00 C ATOM 230 C GLU A 14 18.280 2.638 1.717 1.00 0.00 C ATOM 231 O GLU A 14 19.464 2.430 1.979 1.00 0.00 O ATOM 232 CB GLU A 14 18.589 3.452 -0.634 1.00 0.00 C ATOM 233 CG GLU A 14 20.094 3.242 -0.550 1.00 0.00 C ATOM 234 CD GLU A 14 20.494 1.789 -0.722 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.048 0.949 0.087 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.254 1.491 -1.668 1.00 0.00 O ATOM 237 HA GLU A 14 17.893 1.490 -0.031 1.00 0.00 H ATOM 238 HB2 GLU A 14 18.277 3.280 -1.664 1.00 0.00 H ATOM 239 HB3 GLU A 14 18.372 4.484 -0.357 1.00 0.00 H ATOM 240 HG2 GLU A 14 20.573 3.831 -1.333 1.00 0.00 H ATOM 241 HG3 GLU A 14 20.440 3.586 0.425 1.00 0.00 H ATOM 242 H GLU A 14 16.114 3.844 -0.138 1.00 0.00 H ATOM 243 N ASN A 15 17.391 2.965 2.651 1.00 0.00 N ATOM 244 CA ASN A 15 17.784 3.099 4.052 1.00 0.00 C ATOM 245 C ASN A 15 16.772 2.429 4.976 1.00 0.00 C ATOM 246 O ASN A 15 16.303 3.033 5.941 1.00 0.00 O ATOM 247 CB ASN A 15 17.931 4.576 4.421 1.00 0.00 C ATOM 248 CG ASN A 15 18.454 4.770 5.831 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.480 4.204 6.208 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.748 5.573 6.618 1.00 0.00 N ATOM 251 HA ASN A 15 18.744 2.600 4.180 1.00 0.00 H ATOM 252 HB2 ASN A 15 18.624 5.044 3.723 1.00 0.00 H ATOM 253 HB3 ASN A 15 16.956 5.056 4.340 1.00 0.00 H ATOM 254 HD22 ASN A 15 16.887 6.030 6.256 1.00 0.00 H ATOM 255 HD21 ASN A 15 18.056 5.745 7.596 1.00 0.00 H ATOM 256 H ASN A 15 16.400 3.128 2.380 1.00 0.00 H ATOM 257 N ASN A 16 16.437 1.178 4.669 1.00 0.00 N ATOM 258 CA ASN A 16 15.476 0.413 5.465 1.00 0.00 C ATOM 259 C ASN A 16 14.239 1.247 5.798 1.00 0.00 C ATOM 260 O ASN A 16 13.562 1.003 6.796 1.00 0.00 O ATOM 261 CB ASN A 16 16.131 -0.099 6.752 1.00 0.00 C ATOM 262 CG ASN A 16 16.497 1.020 7.709 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.654 1.838 8.077 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.760 1.060 8.118 1.00 0.00 N ATOM 265 HA ASN A 16 15.156 -0.441 4.867 1.00 0.00 H ATOM 266 HB2 ASN A 16 15.436 -0.773 7.253 1.00 0.00 H ATOM 267 HB3 ASN A 16 17.038 -0.644 6.489 1.00 0.00 H ATOM 268 HD22 ASN A 16 18.439 0.348 7.781 1.00 0.00 H ATOM 269 HD21 ASN A 16 18.070 1.804 8.775 1.00 0.00 H ATOM 270 H ASN A 16 16.872 0.730 3.837 1.00 0.00 H ATOM 271 N GLU A 17 13.946 2.220 4.943 1.00 0.00 N ATOM 272 CA GLU A 17 12.788 3.082 5.124 1.00 0.00 C ATOM 273 C GLU A 17 11.869 2.952 3.920 1.00 0.00 C ATOM 274 O GLU A 17 12.336 2.824 2.796 1.00 0.00 O ATOM 275 CB GLU A 17 13.223 4.539 5.303 1.00 0.00 C ATOM 276 CG GLU A 17 14.235 5.005 4.270 1.00 0.00 C ATOM 277 CD GLU A 17 14.846 6.349 4.617 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.909 6.679 5.819 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.261 7.070 3.686 1.00 0.00 O ATOM 280 HA GLU A 17 12.253 2.774 6.023 1.00 0.00 H ATOM 281 HB2 GLU A 17 12.340 5.174 5.231 1.00 0.00 H ATOM 282 HB3 GLU A 17 13.666 4.647 6.293 1.00 0.00 H ATOM 283 HG2 GLU A 17 15.033 4.265 4.204 1.00 0.00 H ATOM 284 HG3 GLU A 17 13.736 5.087 3.304 1.00 0.00 H ATOM 285 H GLU A 17 14.563 2.370 4.119 1.00 0.00 H ATOM 286 N ILE A 18 10.567 2.963 4.153 1.00 0.00 N ATOM 287 CA ILE A 18 9.611 2.821 3.064 1.00 0.00 C ATOM 288 C ILE A 18 8.842 4.116 2.815 1.00 0.00 C ATOM 289 O ILE A 18 8.459 4.819 3.750 1.00 0.00 O ATOM 290 CB ILE A 18 8.630 1.665 3.348 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.342 0.321 3.193 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.410 1.730 2.436 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.781 -0.768 4.081 1.00 0.00 C ATOM 294 HA ILE A 18 10.178 2.591 2.162 1.00 0.00 H ATOM 295 HB ILE A 18 8.280 1.766 4.375 1.00 0.00 H ATOM 296 HG12 ILE A 18 9.251 0.000 2.155 1.00 0.00 H ATOM 297 HG13 ILE A 18 10.395 0.458 3.439 1.00 0.00 H ATOM 298 HD11 ILE A 18 8.874 -0.468 5.125 1.00 0.00 H ATOM 299 HD12 ILE A 18 7.730 -0.926 3.840 1.00 0.00 H ATOM 300 HD13 ILE A 18 9.336 -1.692 3.916 1.00 0.00 H ATOM 301 HG21 ILE A 18 6.888 2.673 2.596 1.00 0.00 H ATOM 302 HG22 ILE A 18 7.731 1.663 1.397 1.00 0.00 H ATOM 303 HG23 ILE A 18 6.742 0.900 2.665 1.00 0.00 H ATOM 304 H ILE A 18 10.221 3.075 5.128 1.00 0.00 H ATOM 305 N PHE A 19 8.623 4.415 1.540 1.00 0.00 N ATOM 306 CA PHE A 19 7.905 5.616 1.138 1.00 0.00 C ATOM 307 C PHE A 19 6.403 5.342 1.045 1.00 0.00 C ATOM 308 O PHE A 19 5.965 4.462 0.304 1.00 0.00 O ATOM 309 CB PHE A 19 8.463 6.122 -0.204 1.00 0.00 C ATOM 310 CG PHE A 19 7.431 6.634 -1.173 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.681 5.753 -1.938 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.220 7.994 -1.326 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.738 6.220 -2.834 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.280 8.467 -2.222 1.00 0.00 C ATOM 315 CZ PHE A 19 5.538 7.579 -2.976 1.00 0.00 C ATOM 316 HA PHE A 19 8.050 6.391 1.891 1.00 0.00 H ATOM 317 HB2 PHE A 19 9.162 6.932 0.005 1.00 0.00 H ATOM 318 HB3 PHE A 19 8.995 5.299 -0.681 1.00 0.00 H ATOM 319 HD2 PHE A 19 7.802 8.700 -0.733 1.00 0.00 H ATOM 320 HE2 PHE A 19 6.124 9.540 -2.334 1.00 0.00 H ATOM 321 HZ PHE A 19 4.795 7.950 -3.682 1.00 0.00 H ATOM 322 HE1 PHE A 19 5.153 5.517 -3.427 1.00 0.00 H ATOM 323 HD1 PHE A 19 6.837 4.680 -1.831 1.00 0.00 H ATOM 324 H PHE A 19 8.976 3.770 0.804 1.00 0.00 H ATOM 325 N ILE A 20 5.621 6.107 1.800 1.00 0.00 N ATOM 326 CA ILE A 20 4.169 5.957 1.798 1.00 0.00 C ATOM 327 C ILE A 20 3.505 7.255 1.355 1.00 0.00 C ATOM 328 O ILE A 20 4.124 8.318 1.377 1.00 0.00 O ATOM 329 CB ILE A 20 3.603 5.565 3.187 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.724 5.380 4.219 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.762 4.303 3.076 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.479 4.076 4.075 1.00 0.00 C ATOM 333 HA ILE A 20 3.946 5.150 1.100 1.00 0.00 H ATOM 334 HB ILE A 20 2.969 6.381 3.534 1.00 0.00 H ATOM 335 HG12 ILE A 20 5.432 6.201 4.108 1.00 0.00 H ATOM 336 HG13 ILE A 20 4.283 5.414 5.215 1.00 0.00 H ATOM 337 HD11 ILE A 20 4.787 3.242 4.195 1.00 0.00 H ATOM 338 HD12 ILE A 20 5.937 4.030 3.087 1.00 0.00 H ATOM 339 HD13 ILE A 20 6.254 4.020 4.840 1.00 0.00 H ATOM 340 HG21 ILE A 20 1.934 4.479 2.390 1.00 0.00 H ATOM 341 HG22 ILE A 20 3.380 3.488 2.700 1.00 0.00 H ATOM 342 HG23 ILE A 20 2.372 4.040 4.059 1.00 0.00 H ATOM 343 H ILE A 20 6.055 6.831 2.408 1.00 0.00 H ATOM 344 N THR A 21 2.242 7.165 0.959 1.00 0.00 N ATOM 345 CA THR A 21 1.500 8.338 0.519 1.00 0.00 C ATOM 346 C THR A 21 0.679 8.915 1.668 1.00 0.00 C ATOM 347 O THR A 21 -0.281 8.297 2.129 1.00 0.00 O ATOM 348 CB THR A 21 0.582 7.980 -0.652 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.622 7.396 -0.187 1.00 0.00 O ATOM 350 CG2 THR A 21 1.210 7.015 -1.634 1.00 0.00 C ATOM 351 HA THR A 21 2.216 9.091 0.189 1.00 0.00 H ATOM 352 HB THR A 21 0.391 8.922 -1.165 1.00 0.00 H ATOM 353 HG1 THR A 21 -0.413 6.571 0.319 1.00 0.00 H ATOM 354 HG23 THR A 21 2.142 7.437 -2.011 1.00 0.00 H ATOM 355 HG21 THR A 21 1.415 6.070 -1.132 1.00 0.00 H ATOM 356 HG22 THR A 21 0.524 6.846 -2.464 1.00 0.00 H ATOM 357 H THR A 21 1.772 6.237 0.963 1.00 0.00 H ATOM 358 N ARG A 22 1.061 10.102 2.130 1.00 0.00 N ATOM 359 CA ARG A 22 0.354 10.751 3.227 1.00 0.00 C ATOM 360 C ARG A 22 -0.746 11.667 2.702 1.00 0.00 C ATOM 361 O ARG A 22 -0.550 12.874 2.565 1.00 0.00 O ATOM 362 CB ARG A 22 1.329 11.547 4.099 1.00 0.00 C ATOM 363 CG ARG A 22 2.257 12.456 3.310 1.00 0.00 C ATOM 364 CD ARG A 22 3.068 13.353 4.232 1.00 0.00 C ATOM 365 NE ARG A 22 2.573 14.727 4.235 1.00 0.00 N ATOM 366 CZ ARG A 22 2.853 15.614 5.188 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.623 15.275 6.214 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.361 16.843 5.114 1.00 0.00 N ATOM 369 HA ARG A 22 -0.107 9.973 3.835 1.00 0.00 H ATOM 370 HB2 ARG A 22 0.750 12.161 4.789 1.00 0.00 H ATOM 371 HB3 ARG A 22 1.938 10.842 4.665 1.00 0.00 H ATOM 372 HG2 ARG A 22 2.939 11.843 2.721 1.00 0.00 H ATOM 373 HG3 ARG A 22 1.661 13.079 2.642 1.00 0.00 H ATOM 374 HD2 ARG A 22 4.106 13.354 3.899 1.00 0.00 H ATOM 375 HD3 ARG A 22 3.013 12.957 5.246 1.00 0.00 H ATOM 376 HE ARG A 22 1.966 15.030 3.447 1.00 0.00 H ATOM 377 HH12 ARG A 22 3.838 15.972 6.955 1.00 0.00 H ATOM 378 HH11 ARG A 22 4.011 14.312 6.277 1.00 0.00 H ATOM 379 HH22 ARG A 22 2.579 17.536 5.858 1.00 0.00 H ATOM 380 HH21 ARG A 22 1.757 17.114 4.312 1.00 0.00 H ATOM 381 H ARG A 22 1.880 10.577 1.700 1.00 0.00 H ATOM 382 N ARG A 23 -1.906 11.078 2.416 1.00 0.00 N ATOM 383 CA ARG A 23 -3.056 11.827 1.908 1.00 0.00 C ATOM 384 C ARG A 23 -2.637 12.880 0.884 1.00 0.00 C ATOM 385 O ARG A 23 -3.247 13.945 0.791 1.00 0.00 O ATOM 386 CB ARG A 23 -3.803 12.494 3.063 1.00 0.00 C ATOM 387 CG ARG A 23 -4.798 11.574 3.752 1.00 0.00 C ATOM 388 CD ARG A 23 -6.117 11.517 2.998 1.00 0.00 C ATOM 389 NE ARG A 23 -6.158 10.406 2.051 1.00 0.00 N ATOM 390 CZ ARG A 23 -7.276 9.949 1.492 1.00 0.00 C ATOM 391 NH1 ARG A 23 -8.446 10.505 1.782 1.00 0.00 N ATOM 392 NH2 ARG A 23 -7.225 8.934 0.640 1.00 0.00 N ATOM 393 HA ARG A 23 -3.716 11.118 1.409 1.00 0.00 H ATOM 394 HB2 ARG A 23 -3.073 12.827 3.800 1.00 0.00 H ATOM 395 HB3 ARG A 23 -4.343 13.357 2.673 1.00 0.00 H ATOM 396 HG2 ARG A 23 -4.376 10.570 3.804 1.00 0.00 H ATOM 397 HG3 ARG A 23 -4.982 11.943 4.761 1.00 0.00 H ATOM 398 HD2 ARG A 23 -6.251 12.451 2.452 1.00 0.00 H ATOM 399 HD3 ARG A 23 -6.928 11.398 3.716 1.00 0.00 H ATOM 400 HE ARG A 23 -5.261 9.945 1.799 1.00 0.00 H ATOM 401 HH12 ARG A 23 -9.317 10.144 1.342 1.00 0.00 H ATOM 402 HH11 ARG A 23 -8.492 11.302 2.449 1.00 0.00 H ATOM 403 HH22 ARG A 23 -8.099 8.577 0.203 1.00 0.00 H ATOM 404 HH21 ARG A 23 -6.311 8.495 0.408 1.00 0.00 H ATOM 405 H ARG A 23 -1.997 10.052 2.558 1.00 0.00 H ATOM 406 N ALA A 24 -1.593 12.575 0.119 1.00 0.00 N ATOM 407 CA ALA A 24 -1.090 13.494 -0.896 1.00 0.00 C ATOM 408 C ALA A 24 -0.575 14.784 -0.263 1.00 0.00 C ATOM 409 O ALA A 24 0.631 14.961 -0.087 1.00 0.00 O ATOM 410 CB ALA A 24 -2.176 13.799 -1.919 1.00 0.00 C ATOM 411 HA ALA A 24 -0.255 13.013 -1.405 1.00 0.00 H ATOM 412 HB1 ALA A 24 -2.490 12.873 -2.401 1.00 0.00 H ATOM 413 HB2 ALA A 24 -3.029 14.255 -1.417 1.00 0.00 H ATOM 414 HB3 ALA A 24 -1.784 14.486 -2.669 1.00 0.00 H ATOM 415 H ALA A 24 -1.122 11.657 0.248 1.00 0.00 H ATOM 416 N ALA A 25 -1.494 15.680 0.080 1.00 0.00 N ATOM 417 CA ALA A 25 -1.133 16.951 0.695 1.00 0.00 C ATOM 418 C ALA A 25 -2.027 17.250 1.894 1.00 0.00 C ATOM 419 O ALA A 25 -1.545 17.627 2.962 1.00 0.00 O ATOM 420 CB ALA A 25 -1.221 18.076 -0.325 1.00 0.00 C ATOM 421 HA ALA A 25 -0.104 16.878 1.048 1.00 0.00 H ATOM 422 HB1 ALA A 25 -0.537 17.872 -1.149 1.00 0.00 H ATOM 423 HB2 ALA A 25 -2.240 18.141 -0.705 1.00 0.00 H ATOM 424 HB3 ALA A 25 -0.948 19.018 0.151 1.00 0.00 H ATOM 425 H ALA A 25 -2.497 15.469 -0.095 1.00 0.00 H ATOM 426 N ASP A 26 -3.331 17.075 1.709 1.00 0.00 N ATOM 427 CA ASP A 26 -4.296 17.322 2.775 1.00 0.00 C ATOM 428 C ASP A 26 -5.685 16.829 2.374 1.00 0.00 C ATOM 429 O ASP A 26 -6.085 15.721 2.732 1.00 0.00 O ATOM 430 CB ASP A 26 -4.343 18.814 3.132 1.00 0.00 C ATOM 431 CG ASP A 26 -3.977 19.713 1.965 1.00 0.00 C ATOM 432 OD1 ASP A 26 -2.768 19.891 1.709 1.00 0.00 O ATOM 433 OD2 ASP A 26 -4.901 20.239 1.309 1.00 0.00 O ATOM 434 HA ASP A 26 -3.974 16.766 3.656 1.00 0.00 H ATOM 435 HB2 ASP A 26 -5.353 19.062 3.459 1.00 0.00 H ATOM 436 HB3 ASP A 26 -3.643 18.999 3.947 1.00 0.00 H ATOM 437 H ASP A 26 -3.673 16.754 0.781 1.00 0.00 H ATOM 438 N ALA A 27 -6.418 17.655 1.628 1.00 0.00 N ATOM 439 CA ALA A 27 -7.761 17.298 1.178 1.00 0.00 C ATOM 440 C ALA A 27 -8.597 16.721 2.318 1.00 0.00 C ATOM 441 O ALA A 27 -9.365 15.779 2.122 1.00 0.00 O ATOM 442 CB ALA A 27 -7.683 16.307 0.026 1.00 0.00 C ATOM 443 HA ALA A 27 -8.252 18.208 0.833 1.00 0.00 H ATOM 444 HB1 ALA A 27 -7.136 16.757 -0.803 1.00 0.00 H ATOM 445 HB2 ALA A 27 -7.166 15.407 0.357 1.00 0.00 H ATOM 446 HB3 ALA A 27 -8.691 16.050 -0.299 1.00 0.00 H ATOM 447 H ALA A 27 -6.023 18.579 1.359 1.00 0.00 H ATOM 448 N HIS A 28 -8.441 17.291 3.508 1.00 0.00 N ATOM 449 CA HIS A 28 -9.180 16.831 4.678 1.00 0.00 C ATOM 450 C HIS A 28 -8.836 15.380 4.998 1.00 0.00 C ATOM 451 O HIS A 28 -8.430 14.620 4.119 1.00 0.00 O ATOM 452 CB HIS A 28 -10.686 16.972 4.446 1.00 0.00 C ATOM 453 CG HIS A 28 -11.441 17.402 5.665 1.00 0.00 C ATOM 454 ND1 HIS A 28 -12.308 16.573 6.346 1.00 0.00 N ATOM 455 CD2 HIS A 28 -11.456 18.584 6.327 1.00 0.00 C ATOM 456 CE1 HIS A 28 -12.823 17.226 7.372 1.00 0.00 C ATOM 457 NE2 HIS A 28 -12.322 18.447 7.384 1.00 0.00 N ATOM 458 HA HIS A 28 -8.893 17.451 5.527 1.00 0.00 H ATOM 459 HB2 HIS A 28 -10.847 17.712 3.662 1.00 0.00 H ATOM 460 HB3 HIS A 28 -11.077 16.008 4.120 1.00 0.00 H ATOM 461 HD2 HIS A 28 -10.887 19.477 6.069 1.00 0.00 H ATOM 462 HE1 HIS A 28 -13.540 16.825 8.088 1.00 0.00 H ATOM 463 H HIS A 28 -7.776 18.084 3.607 1.00 0.00 H ATOM 464 N MET A 29 -8.999 15.002 6.262 1.00 0.00 N ATOM 465 CA MET A 29 -8.702 13.642 6.696 1.00 0.00 C ATOM 466 C MET A 29 -7.234 13.303 6.447 1.00 0.00 C ATOM 467 O MET A 29 -6.917 12.368 5.713 1.00 0.00 O ATOM 468 CB MET A 29 -9.602 12.642 5.966 1.00 0.00 C ATOM 469 CG MET A 29 -11.087 12.921 6.140 1.00 0.00 C ATOM 470 SD MET A 29 -11.870 13.508 4.625 1.00 0.00 S ATOM 471 CE MET A 29 -13.570 13.024 4.913 1.00 0.00 C ATOM 472 HA MET A 29 -8.896 13.576 7.767 1.00 0.00 H ATOM 473 HB2 MET A 29 -9.366 12.678 4.902 1.00 0.00 H ATOM 474 HB3 MET A 29 -9.391 11.644 6.350 1.00 0.00 H ATOM 475 HG2 MET A 29 -11.211 13.680 6.913 1.00 0.00 H ATOM 476 HG3 MET A 29 -11.580 12.001 6.453 1.00 0.00 H ATOM 477 HE1 MET A 29 -13.622 11.943 5.040 1.00 0.00 H ATOM 478 HE2 MET A 29 -13.939 13.515 5.813 1.00 0.00 H ATOM 479 HE3 MET A 29 -14.180 13.320 4.060 1.00 0.00 H ATOM 480 H MET A 29 -9.347 15.693 6.958 1.00 0.00 H ATOM 481 N ALA A 30 -6.345 14.075 7.064 1.00 0.00 N ATOM 482 CA ALA A 30 -4.908 13.866 6.913 1.00 0.00 C ATOM 483 C ALA A 30 -4.443 12.590 7.614 1.00 0.00 C ATOM 484 O ALA A 30 -3.293 12.177 7.463 1.00 0.00 O ATOM 485 CB ALA A 30 -4.146 15.069 7.448 1.00 0.00 C ATOM 486 HA ALA A 30 -4.700 13.751 5.849 1.00 0.00 H ATOM 487 HB1 ALA A 30 -4.439 15.960 6.892 1.00 0.00 H ATOM 488 HB2 ALA A 30 -4.379 15.205 8.504 1.00 0.00 H ATOM 489 HB3 ALA A 30 -3.075 14.901 7.330 1.00 0.00 H ATOM 490 H ALA A 30 -6.682 14.849 7.671 1.00 0.00 H ATOM 491 N ASN A 31 -5.334 11.971 8.386 1.00 0.00 N ATOM 492 CA ASN A 31 -5.002 10.750 9.111 1.00 0.00 C ATOM 493 C ASN A 31 -5.254 9.504 8.259 1.00 0.00 C ATOM 494 O ASN A 31 -5.563 8.436 8.788 1.00 0.00 O ATOM 495 CB ASN A 31 -5.825 10.679 10.401 1.00 0.00 C ATOM 496 CG ASN A 31 -4.993 10.944 11.642 1.00 0.00 C ATOM 497 OD1 ASN A 31 -5.215 10.338 12.691 1.00 0.00 O ATOM 498 ND2 ASN A 31 -4.034 11.857 11.533 1.00 0.00 N ATOM 499 HA ASN A 31 -3.940 10.777 9.353 1.00 0.00 H ATOM 500 HB2 ASN A 31 -6.620 11.422 10.349 1.00 0.00 H ATOM 501 HB3 ASN A 31 -6.264 9.684 10.481 1.00 0.00 H ATOM 502 HD22 ASN A 31 -3.881 12.345 10.627 1.00 0.00 H ATOM 503 HD21 ASN A 31 -3.436 12.084 12.353 1.00 0.00 H ATOM 504 H ASN A 31 -6.291 12.368 8.474 1.00 0.00 H ATOM 505 N LYS A 32 -5.119 9.641 6.942 1.00 0.00 N ATOM 506 CA LYS A 32 -5.333 8.521 6.030 1.00 0.00 C ATOM 507 C LYS A 32 -4.043 8.125 5.325 1.00 0.00 C ATOM 508 O LYS A 32 -4.065 7.574 4.225 1.00 0.00 O ATOM 509 CB LYS A 32 -6.415 8.855 5.005 1.00 0.00 C ATOM 510 CG LYS A 32 -7.742 8.164 5.277 1.00 0.00 C ATOM 511 CD LYS A 32 -8.778 9.136 5.818 1.00 0.00 C ATOM 512 CE LYS A 32 -9.713 9.620 4.722 1.00 0.00 C ATOM 513 NZ LYS A 32 -11.116 9.747 5.205 1.00 0.00 N ATOM 514 HA LYS A 32 -5.667 7.672 6.626 1.00 0.00 H ATOM 515 HB2 LYS A 32 -6.579 9.933 5.014 1.00 0.00 H ATOM 516 HB3 LYS A 32 -6.063 8.551 4.019 1.00 0.00 H ATOM 517 HG2 LYS A 32 -8.113 7.732 4.348 1.00 0.00 H ATOM 518 HG3 LYS A 32 -7.585 7.371 6.008 1.00 0.00 H ATOM 519 HD2 LYS A 32 -9.364 8.636 6.589 1.00 0.00 H ATOM 520 HD3 LYS A 32 -8.266 9.995 6.252 1.00 0.00 H ATOM 521 HE2 LYS A 32 -9.687 8.908 3.897 1.00 0.00 H ATOM 522 HE3 LYS A 32 -9.371 10.594 4.371 1.00 0.00 H ATOM 523 HZ1 LYS A 32 -11.453 8.820 5.536 1.00 0.00 H ATOM 524 HZ2 LYS A 32 -11.151 10.430 5.989 1.00 0.00 H ATOM 525 HZ3 LYS A 32 -11.720 10.080 4.427 1.00 0.00 H ATOM 526 H LYS A 32 -4.855 10.569 6.553 1.00 0.00 H ATOM 527 N LEU A 33 -2.924 8.408 5.971 1.00 0.00 N ATOM 528 CA LEU A 33 -1.609 8.086 5.425 1.00 0.00 C ATOM 529 C LEU A 33 -1.576 6.653 4.895 1.00 0.00 C ATOM 530 O LEU A 33 -1.372 5.709 5.654 1.00 0.00 O ATOM 531 CB LEU A 33 -0.548 8.268 6.511 1.00 0.00 C ATOM 532 CG LEU A 33 0.882 8.473 6.010 1.00 0.00 C ATOM 533 CD1 LEU A 33 1.835 8.656 7.180 1.00 0.00 C ATOM 534 CD2 LEU A 33 1.319 7.302 5.144 1.00 0.00 C ATOM 535 HA LEU A 33 -1.400 8.760 4.594 1.00 0.00 H ATOM 536 HB2 LEU A 33 -0.823 9.139 7.106 1.00 0.00 H ATOM 537 HB3 LEU A 33 -0.558 7.380 7.142 1.00 0.00 H ATOM 538 HG LEU A 33 0.906 9.377 5.401 1.00 0.00 H ATOM 539 HD21 LEU A 33 1.278 6.383 5.729 1.00 0.00 H ATOM 540 HD22 LEU A 33 0.652 7.218 4.286 1.00 0.00 H ATOM 541 HD23 LEU A 33 2.339 7.468 4.798 1.00 0.00 H ATOM 542 HD11 LEU A 33 1.534 9.529 7.759 1.00 0.00 H ATOM 543 HD12 LEU A 33 1.805 7.770 7.814 1.00 0.00 H ATOM 544 HD13 LEU A 33 2.848 8.800 6.803 1.00 0.00 H ATOM 545 H LEU A 33 -2.983 8.875 6.898 1.00 0.00 H ATOM 546 N GLU A 34 -1.789 6.493 3.591 1.00 0.00 N ATOM 547 CA GLU A 34 -1.794 5.166 2.982 1.00 0.00 C ATOM 548 C GLU A 34 -0.638 4.990 2.004 1.00 0.00 C ATOM 549 O GLU A 34 0.184 5.887 1.822 1.00 0.00 O ATOM 550 CB GLU A 34 -3.123 4.913 2.267 1.00 0.00 C ATOM 551 CG GLU A 34 -4.295 4.715 3.214 1.00 0.00 C ATOM 552 CD GLU A 34 -5.627 5.051 2.571 1.00 0.00 C ATOM 553 OE1 GLU A 34 -5.687 6.043 1.814 1.00 0.00 O ATOM 554 OE2 GLU A 34 -6.608 4.321 2.823 1.00 0.00 O ATOM 555 HA GLU A 34 -1.670 4.438 3.784 1.00 0.00 H ATOM 556 HB2 GLU A 34 -3.338 5.768 1.626 1.00 0.00 H ATOM 557 HB3 GLU A 34 -3.020 4.018 1.654 1.00 0.00 H ATOM 558 HG2 GLU A 34 -4.314 3.673 3.533 1.00 0.00 H ATOM 559 HG3 GLU A 34 -4.154 5.358 4.083 1.00 0.00 H ATOM 560 H GLU A 34 -1.955 7.329 2.995 1.00 0.00 H ATOM 561 N PHE A 35 -0.584 3.815 1.384 1.00 0.00 N ATOM 562 CA PHE A 35 0.470 3.495 0.426 1.00 0.00 C ATOM 563 C PHE A 35 -0.107 3.188 -0.959 1.00 0.00 C ATOM 564 O PHE A 35 -1.301 2.925 -1.103 1.00 0.00 O ATOM 565 CB PHE A 35 1.310 2.300 0.914 1.00 0.00 C ATOM 566 CG PHE A 35 0.741 1.578 2.109 1.00 0.00 C ATOM 567 CD1 PHE A 35 -0.526 1.018 2.063 1.00 0.00 C ATOM 568 CD2 PHE A 35 1.478 1.460 3.278 1.00 0.00 C ATOM 569 CE1 PHE A 35 -1.047 0.356 3.159 1.00 0.00 C ATOM 570 CE2 PHE A 35 0.962 0.799 4.376 1.00 0.00 C ATOM 571 CZ PHE A 35 -0.302 0.246 4.317 1.00 0.00 C ATOM 572 HA PHE A 35 1.111 4.373 0.346 1.00 0.00 H ATOM 573 HB2 PHE A 35 1.395 1.587 0.094 1.00 0.00 H ATOM 574 HB3 PHE A 35 2.302 2.667 1.179 1.00 0.00 H ATOM 575 HD2 PHE A 35 2.476 1.894 3.331 1.00 0.00 H ATOM 576 HE2 PHE A 35 1.552 0.714 5.288 1.00 0.00 H ATOM 577 HZ PHE A 35 -0.711 -0.276 5.182 1.00 0.00 H ATOM 578 HE1 PHE A 35 -2.045 -0.079 3.109 1.00 0.00 H ATOM 579 HD1 PHE A 35 -1.119 1.101 1.152 1.00 0.00 H ATOM 580 H PHE A 35 -1.314 3.103 1.588 1.00 0.00 H ATOM 581 N PRO A 36 0.753 3.200 -1.994 1.00 0.00 N ATOM 582 CA PRO A 36 0.359 2.904 -3.379 1.00 0.00 C ATOM 583 C PRO A 36 -0.292 1.531 -3.507 1.00 0.00 C ATOM 584 O PRO A 36 -0.243 0.727 -2.577 1.00 0.00 O ATOM 585 CB PRO A 36 1.677 2.949 -4.163 1.00 0.00 C ATOM 586 CG PRO A 36 2.747 2.833 -3.132 1.00 0.00 C ATOM 587 CD PRO A 36 2.196 3.481 -1.896 1.00 0.00 C ATOM 588 HA PRO A 36 -0.383 3.613 -3.747 1.00 0.00 H ATOM 589 HD3 PRO A 36 2.622 3.037 -0.996 1.00 0.00 H ATOM 590 HD2 PRO A 36 2.388 4.554 -1.896 1.00 0.00 H ATOM 591 HG3 PRO A 36 3.649 3.349 -3.461 1.00 0.00 H ATOM 592 HG2 PRO A 36 2.978 1.785 -2.941 1.00 0.00 H ATOM 593 HB2 PRO A 36 1.732 2.119 -4.867 1.00 0.00 H ATOM 594 HB3 PRO A 36 1.768 3.890 -4.705 1.00 0.00 H ATOM 595 N GLY A 37 -0.907 1.264 -4.657 1.00 0.00 N ATOM 596 CA GLY A 37 -1.558 -0.018 -4.858 1.00 0.00 C ATOM 597 C GLY A 37 -3.063 0.037 -4.712 1.00 0.00 C ATOM 598 O GLY A 37 -3.657 -0.643 -3.876 1.00 0.00 O ATOM 599 HA3 GLY A 37 -1.166 -0.723 -4.125 1.00 0.00 H ATOM 600 HA2 GLY A 37 -1.322 -0.371 -5.862 1.00 0.00 H ATOM 601 H GLY A 37 -0.921 1.977 -5.414 1.00 0.00 H ATOM 602 N GLY A 38 -3.663 0.854 -5.546 1.00 0.00 N ATOM 603 CA GLY A 38 -5.103 1.019 -5.551 1.00 0.00 C ATOM 604 C GLY A 38 -5.689 0.888 -6.948 1.00 0.00 C ATOM 605 O GLY A 38 -5.248 1.578 -7.869 1.00 0.00 O ATOM 606 HA3 GLY A 38 -5.345 2.007 -5.159 1.00 0.00 H ATOM 607 HA2 GLY A 38 -5.547 0.257 -4.911 1.00 0.00 H ATOM 608 H GLY A 38 -3.089 1.398 -6.222 1.00 0.00 H ATOM 609 N LYS A 39 -6.688 0.003 -7.097 1.00 0.00 N ATOM 610 CA LYS A 39 -7.368 -0.235 -8.381 1.00 0.00 C ATOM 611 C LYS A 39 -7.022 -1.602 -8.971 1.00 0.00 C ATOM 612 O LYS A 39 -7.449 -1.923 -10.081 1.00 0.00 O ATOM 613 CB LYS A 39 -7.050 0.851 -9.411 1.00 0.00 C ATOM 614 CG LYS A 39 -7.913 0.761 -10.659 1.00 0.00 C ATOM 615 CD LYS A 39 -8.518 2.108 -11.034 1.00 0.00 C ATOM 616 CE LYS A 39 -9.288 2.734 -9.877 1.00 0.00 C ATOM 617 NZ LYS A 39 -10.089 1.729 -9.124 1.00 0.00 N ATOM 618 HA LYS A 39 -8.435 -0.208 -8.158 1.00 0.00 H ATOM 619 HB2 LYS A 39 -7.209 1.825 -8.949 1.00 0.00 H ATOM 620 HB3 LYS A 39 -6.005 0.756 -9.704 1.00 0.00 H ATOM 621 HG2 LYS A 39 -7.298 0.408 -11.487 1.00 0.00 H ATOM 622 HG3 LYS A 39 -8.720 0.051 -10.479 1.00 0.00 H ATOM 623 HD2 LYS A 39 -7.715 2.784 -11.329 1.00 0.00 H ATOM 624 HD3 LYS A 39 -9.199 1.966 -11.873 1.00 0.00 H ATOM 625 HE2 LYS A 39 -9.961 3.494 -10.274 1.00 0.00 H ATOM 626 HE3 LYS A 39 -8.578 3.200 -9.194 1.00 0.00 H ATOM 627 HZ1 LYS A 39 -10.775 1.283 -9.766 1.00 0.00 H ATOM 628 HZ2 LYS A 39 -9.454 1.003 -8.735 1.00 0.00 H ATOM 629 HZ3 LYS A 39 -10.595 2.202 -8.348 1.00 0.00 H ATOM 630 H LYS A 39 -6.996 -0.540 -6.265 1.00 0.00 H ATOM 631 N ILE A 40 -6.261 -2.410 -8.239 1.00 0.00 N ATOM 632 CA ILE A 40 -5.892 -3.738 -8.728 1.00 0.00 C ATOM 633 C ILE A 40 -7.131 -4.572 -9.012 1.00 0.00 C ATOM 634 O ILE A 40 -7.105 -5.509 -9.810 1.00 0.00 O ATOM 635 CB ILE A 40 -4.970 -4.485 -7.741 1.00 0.00 C ATOM 636 CG1 ILE A 40 -5.774 -5.167 -6.622 1.00 0.00 C ATOM 637 CG2 ILE A 40 -3.949 -3.520 -7.162 1.00 0.00 C ATOM 638 CD1 ILE A 40 -5.324 -6.585 -6.336 1.00 0.00 C ATOM 639 HA ILE A 40 -5.338 -3.591 -9.655 1.00 0.00 H ATOM 640 HB ILE A 40 -4.448 -5.271 -8.287 1.00 0.00 H ATOM 641 HG12 ILE A 40 -5.665 -4.579 -5.711 1.00 0.00 H ATOM 642 HG13 ILE A 40 -6.824 -5.190 -6.915 1.00 0.00 H ATOM 643 HD11 ILE A 40 -5.437 -7.189 -7.236 1.00 0.00 H ATOM 644 HD12 ILE A 40 -4.278 -6.578 -6.031 1.00 0.00 H ATOM 645 HD13 ILE A 40 -5.935 -7.004 -5.536 1.00 0.00 H ATOM 646 HG21 ILE A 40 -3.349 -3.100 -7.969 1.00 0.00 H ATOM 647 HG22 ILE A 40 -4.467 -2.717 -6.637 1.00 0.00 H ATOM 648 HG23 ILE A 40 -3.301 -4.053 -6.466 1.00 0.00 H ATOM 649 H ILE A 40 -5.924 -2.094 -7.307 1.00 0.00 H ATOM 650 N GLU A 41 -8.211 -4.214 -8.339 1.00 0.00 N ATOM 651 CA GLU A 41 -9.482 -4.904 -8.484 1.00 0.00 C ATOM 652 C GLU A 41 -9.859 -5.057 -9.954 1.00 0.00 C ATOM 653 O GLU A 41 -9.796 -6.157 -10.498 1.00 0.00 O ATOM 654 CB GLU A 41 -10.576 -4.152 -7.722 1.00 0.00 C ATOM 655 CG GLU A 41 -10.472 -2.633 -7.819 1.00 0.00 C ATOM 656 CD GLU A 41 -11.700 -2.000 -8.443 1.00 0.00 C ATOM 657 OE1 GLU A 41 -12.780 -2.054 -7.817 1.00 0.00 O ATOM 658 OE2 GLU A 41 -11.583 -1.450 -9.559 1.00 0.00 O ATOM 659 HA GLU A 41 -9.381 -5.904 -8.061 1.00 0.00 H ATOM 660 HB2 GLU A 41 -11.543 -4.455 -8.123 1.00 0.00 H ATOM 661 HB3 GLU A 41 -10.516 -4.433 -6.671 1.00 0.00 H ATOM 662 HG2 GLU A 41 -10.342 -2.227 -6.816 1.00 0.00 H ATOM 663 HG3 GLU A 41 -9.603 -2.381 -8.427 1.00 0.00 H ATOM 664 H GLU A 41 -8.149 -3.410 -7.682 1.00 0.00 H ATOM 665 N MET A 42 -10.236 -3.941 -10.584 1.00 0.00 N ATOM 666 CA MET A 42 -10.621 -3.915 -12.002 1.00 0.00 C ATOM 667 C MET A 42 -11.095 -5.285 -12.500 1.00 0.00 C ATOM 668 O MET A 42 -12.289 -5.580 -12.485 1.00 0.00 O ATOM 669 CB MET A 42 -9.448 -3.418 -12.855 1.00 0.00 C ATOM 670 CG MET A 42 -9.625 -1.996 -13.357 1.00 0.00 C ATOM 671 SD MET A 42 -8.059 -1.122 -13.536 1.00 0.00 S ATOM 672 CE MET A 42 -7.907 -1.061 -15.320 1.00 0.00 C ATOM 673 HA MET A 42 -11.461 -3.228 -12.100 1.00 0.00 H ATOM 674 HB2 MET A 42 -8.540 -3.461 -12.253 1.00 0.00 H ATOM 675 HB3 MET A 42 -9.343 -4.078 -13.716 1.00 0.00 H ATOM 676 HG2 MET A 42 -10.250 -1.451 -12.649 1.00 0.00 H ATOM 677 HG3 MET A 42 -10.120 -2.028 -14.328 1.00 0.00 H ATOM 678 HE1 MET A 42 -7.888 -2.076 -15.717 1.00 0.00 H ATOM 679 HE2 MET A 42 -8.758 -0.522 -15.738 1.00 0.00 H ATOM 680 HE3 MET A 42 -6.983 -0.548 -15.587 1.00 0.00 H ATOM 681 H MET A 42 -10.258 -3.051 -10.047 1.00 0.00 H ATOM 682 N GLY A 43 -10.150 -6.113 -12.939 1.00 0.00 N ATOM 683 CA GLY A 43 -10.491 -7.434 -13.431 1.00 0.00 C ATOM 684 C GLY A 43 -9.314 -8.385 -13.421 1.00 0.00 C ATOM 685 O GLY A 43 -9.284 -9.357 -14.176 1.00 0.00 O ATOM 686 HA3 GLY A 43 -10.856 -7.342 -14.454 1.00 0.00 H ATOM 687 HA2 GLY A 43 -11.279 -7.848 -12.802 1.00 0.00 H ATOM 688 H GLY A 43 -9.155 -5.809 -12.929 1.00 0.00 H ATOM 689 N GLU A 44 -8.342 -8.102 -12.569 1.00 0.00 N ATOM 690 CA GLU A 44 -7.150 -8.937 -12.465 1.00 0.00 C ATOM 691 C GLU A 44 -7.264 -9.910 -11.297 1.00 0.00 C ATOM 692 O GLU A 44 -8.286 -9.957 -10.611 1.00 0.00 O ATOM 693 CB GLU A 44 -5.905 -8.065 -12.297 1.00 0.00 C ATOM 694 CG GLU A 44 -5.266 -7.656 -13.614 1.00 0.00 C ATOM 695 CD GLU A 44 -5.624 -6.240 -14.020 1.00 0.00 C ATOM 696 OE1 GLU A 44 -5.317 -5.306 -13.250 1.00 0.00 O ATOM 697 OE2 GLU A 44 -6.211 -6.065 -15.109 1.00 0.00 O ATOM 698 HA GLU A 44 -7.061 -9.514 -13.386 1.00 0.00 H ATOM 699 HB2 GLU A 44 -6.187 -7.162 -11.755 1.00 0.00 H ATOM 700 HB3 GLU A 44 -5.170 -8.622 -11.715 1.00 0.00 H ATOM 701 HG2 GLU A 44 -4.183 -7.728 -13.514 1.00 0.00 H ATOM 702 HG3 GLU A 44 -5.604 -8.339 -14.393 1.00 0.00 H ATOM 703 H GLU A 44 -8.430 -7.264 -11.959 1.00 0.00 H ATOM 704 N THR A 45 -6.205 -10.683 -11.071 1.00 0.00 N ATOM 705 CA THR A 45 -6.182 -11.650 -9.983 1.00 0.00 C ATOM 706 C THR A 45 -5.199 -11.199 -8.910 1.00 0.00 C ATOM 707 O THR A 45 -4.283 -10.431 -9.190 1.00 0.00 O ATOM 708 CB THR A 45 -5.788 -13.034 -10.511 1.00 0.00 C ATOM 709 OG1 THR A 45 -5.664 -13.019 -11.923 1.00 0.00 O ATOM 710 CG2 THR A 45 -6.781 -14.119 -10.153 1.00 0.00 C ATOM 711 HA THR A 45 -7.179 -11.714 -9.547 1.00 0.00 H ATOM 712 HB THR A 45 -4.836 -13.261 -10.032 1.00 0.00 H ATOM 713 HG1 THR A 45 -5.409 -13.922 -12.240 1.00 0.00 H ATOM 714 HG23 THR A 45 -6.900 -14.158 -9.070 1.00 0.00 H ATOM 715 HG21 THR A 45 -7.742 -13.898 -10.618 1.00 0.00 H ATOM 716 HG22 THR A 45 -6.413 -15.080 -10.514 1.00 0.00 H ATOM 717 H THR A 45 -5.372 -10.594 -11.687 1.00 0.00 H ATOM 718 N PRO A 46 -5.359 -11.673 -7.666 1.00 0.00 N ATOM 719 CA PRO A 46 -4.470 -11.312 -6.562 1.00 0.00 C ATOM 720 C PRO A 46 -2.996 -11.338 -6.968 1.00 0.00 C ATOM 721 O PRO A 46 -2.164 -10.666 -6.358 1.00 0.00 O ATOM 722 CB PRO A 46 -4.759 -12.383 -5.495 1.00 0.00 C ATOM 723 CG PRO A 46 -5.704 -13.354 -6.132 1.00 0.00 C ATOM 724 CD PRO A 46 -6.403 -12.598 -7.221 1.00 0.00 C ATOM 725 HA PRO A 46 -4.649 -10.294 -6.215 1.00 0.00 H ATOM 726 HD3 PRO A 46 -6.715 -13.262 -8.027 1.00 0.00 H ATOM 727 HD2 PRO A 46 -7.271 -12.062 -6.837 1.00 0.00 H ATOM 728 HG3 PRO A 46 -6.425 -13.717 -5.400 1.00 0.00 H ATOM 729 HG2 PRO A 46 -5.155 -14.199 -6.549 1.00 0.00 H ATOM 730 HB2 PRO A 46 -3.837 -12.886 -5.204 1.00 0.00 H ATOM 731 HB3 PRO A 46 -5.217 -11.929 -4.616 1.00 0.00 H ATOM 732 N GLU A 47 -2.677 -12.123 -7.994 1.00 0.00 N ATOM 733 CA GLU A 47 -1.304 -12.242 -8.470 1.00 0.00 C ATOM 734 C GLU A 47 -0.941 -11.142 -9.473 1.00 0.00 C ATOM 735 O GLU A 47 -0.014 -10.368 -9.240 1.00 0.00 O ATOM 736 CB GLU A 47 -1.087 -13.617 -9.106 1.00 0.00 C ATOM 737 CG GLU A 47 -0.265 -14.562 -8.245 1.00 0.00 C ATOM 738 CD GLU A 47 1.219 -14.482 -8.547 1.00 0.00 C ATOM 739 OE1 GLU A 47 1.793 -13.381 -8.415 1.00 0.00 O ATOM 740 OE2 GLU A 47 1.807 -15.521 -8.914 1.00 0.00 O ATOM 741 HA GLU A 47 -0.650 -12.127 -7.606 1.00 0.00 H ATOM 742 HB2 GLU A 47 -2.061 -14.072 -9.285 1.00 0.00 H ATOM 743 HB3 GLU A 47 -0.572 -13.480 -10.057 1.00 0.00 H ATOM 744 HG2 GLU A 47 -0.423 -14.307 -7.197 1.00 0.00 H ATOM 745 HG3 GLU A 47 -0.604 -15.582 -8.424 1.00 0.00 H ATOM 746 H GLU A 47 -3.426 -12.666 -8.469 1.00 0.00 H ATOM 747 N GLN A 48 -1.656 -11.089 -10.598 1.00 0.00 N ATOM 748 CA GLN A 48 -1.373 -10.095 -11.634 1.00 0.00 C ATOM 749 C GLN A 48 -1.976 -8.731 -11.304 1.00 0.00 C ATOM 750 O GLN A 48 -1.535 -7.709 -11.829 1.00 0.00 O ATOM 751 CB GLN A 48 -1.892 -10.580 -12.989 1.00 0.00 C ATOM 752 CG GLN A 48 -3.406 -10.686 -13.061 1.00 0.00 C ATOM 753 CD GLN A 48 -3.897 -11.085 -14.439 1.00 0.00 C ATOM 754 OE1 GLN A 48 -3.106 -11.266 -15.365 1.00 0.00 O ATOM 755 NE2 GLN A 48 -5.210 -11.224 -14.582 1.00 0.00 N ATOM 756 HA GLN A 48 -0.291 -9.974 -11.679 1.00 0.00 H ATOM 757 HB2 GLN A 48 -1.559 -9.881 -13.756 1.00 0.00 H ATOM 758 HB3 GLN A 48 -1.468 -11.564 -13.188 1.00 0.00 H ATOM 759 HG2 GLN A 48 -3.739 -11.434 -12.341 1.00 0.00 H ATOM 760 HG3 GLN A 48 -3.837 -9.719 -12.803 1.00 0.00 H ATOM 761 HE22 GLN A 48 -5.841 -11.061 -13.772 1.00 0.00 H ATOM 762 HE21 GLN A 48 -5.607 -11.496 -15.504 1.00 0.00 H ATOM 763 H GLN A 48 -2.430 -11.768 -10.742 1.00 0.00 H ATOM 764 N ALA A 49 -2.984 -8.717 -10.442 1.00 0.00 N ATOM 765 CA ALA A 49 -3.640 -7.473 -10.058 1.00 0.00 C ATOM 766 C ALA A 49 -2.638 -6.479 -9.485 1.00 0.00 C ATOM 767 O ALA A 49 -2.606 -5.315 -9.885 1.00 0.00 O ATOM 768 CB ALA A 49 -4.750 -7.748 -9.054 1.00 0.00 C ATOM 769 HA ALA A 49 -4.078 -7.031 -10.953 1.00 0.00 H ATOM 770 HB1 ALA A 49 -5.486 -8.415 -9.502 1.00 0.00 H ATOM 771 HB2 ALA A 49 -4.327 -8.216 -8.165 1.00 0.00 H ATOM 772 HB3 ALA A 49 -5.229 -6.809 -8.778 1.00 0.00 H ATOM 773 H ALA A 49 -3.314 -9.614 -10.031 1.00 0.00 H ATOM 774 N VAL A 50 -1.818 -6.945 -8.550 1.00 0.00 N ATOM 775 CA VAL A 50 -0.813 -6.089 -7.929 1.00 0.00 C ATOM 776 C VAL A 50 0.394 -5.913 -8.847 1.00 0.00 C ATOM 777 O VAL A 50 0.885 -4.802 -9.036 1.00 0.00 O ATOM 778 CB VAL A 50 -0.345 -6.633 -6.550 1.00 0.00 C ATOM 779 CG1 VAL A 50 -1.418 -7.502 -5.911 1.00 0.00 C ATOM 780 CG2 VAL A 50 0.966 -7.403 -6.670 1.00 0.00 C ATOM 781 HA VAL A 50 -1.287 -5.122 -7.764 1.00 0.00 H ATOM 782 HB VAL A 50 -0.171 -5.773 -5.903 1.00 0.00 H ATOM 783 HG11 VAL A 50 -2.322 -6.912 -5.765 1.00 0.00 H ATOM 784 HG12 VAL A 50 -1.636 -8.347 -6.564 1.00 0.00 H ATOM 785 HG13 VAL A 50 -1.062 -7.868 -4.948 1.00 0.00 H ATOM 786 HG21 VAL A 50 0.830 -8.247 -7.347 1.00 0.00 H ATOM 787 HG22 VAL A 50 1.739 -6.742 -7.062 1.00 0.00 H ATOM 788 HG23 VAL A 50 1.263 -7.768 -5.687 1.00 0.00 H ATOM 789 H VAL A 50 -1.894 -7.939 -8.255 1.00 0.00 H ATOM 790 N VAL A 51 0.869 -7.023 -9.407 1.00 0.00 N ATOM 791 CA VAL A 51 2.022 -6.998 -10.296 1.00 0.00 C ATOM 792 C VAL A 51 1.781 -6.063 -11.471 1.00 0.00 C ATOM 793 O VAL A 51 2.695 -5.378 -11.930 1.00 0.00 O ATOM 794 CB VAL A 51 2.356 -8.408 -10.826 1.00 0.00 C ATOM 795 CG1 VAL A 51 3.617 -8.381 -11.677 1.00 0.00 C ATOM 796 CG2 VAL A 51 2.507 -9.389 -9.672 1.00 0.00 C ATOM 797 HA VAL A 51 2.868 -6.633 -9.713 1.00 0.00 H ATOM 798 HB VAL A 51 1.531 -8.741 -11.455 1.00 0.00 H ATOM 799 HG11 VAL A 51 3.467 -7.713 -12.525 1.00 0.00 H ATOM 800 HG12 VAL A 51 4.453 -8.024 -11.075 1.00 0.00 H ATOM 801 HG13 VAL A 51 3.831 -9.387 -12.039 1.00 0.00 H ATOM 802 HG21 VAL A 51 3.312 -9.056 -9.017 1.00 0.00 H ATOM 803 HG22 VAL A 51 1.574 -9.433 -9.110 1.00 0.00 H ATOM 804 HG23 VAL A 51 2.742 -10.378 -10.066 1.00 0.00 H ATOM 805 H VAL A 51 0.405 -7.931 -9.204 1.00 0.00 H ATOM 806 N ARG A 52 0.545 -6.035 -11.951 1.00 0.00 N ATOM 807 CA ARG A 52 0.189 -5.178 -13.069 1.00 0.00 C ATOM 808 C ARG A 52 0.007 -3.737 -12.608 1.00 0.00 C ATOM 809 O ARG A 52 0.559 -2.810 -13.202 1.00 0.00 O ATOM 810 CB ARG A 52 -1.087 -5.679 -13.747 1.00 0.00 C ATOM 811 CG ARG A 52 -0.903 -6.990 -14.497 1.00 0.00 C ATOM 812 CD ARG A 52 -1.215 -6.837 -15.977 1.00 0.00 C ATOM 813 NE ARG A 52 -1.649 -8.096 -16.579 1.00 0.00 N ATOM 814 CZ ARG A 52 -2.302 -8.178 -17.736 1.00 0.00 C ATOM 815 NH1 ARG A 52 -2.598 -7.079 -18.419 1.00 0.00 N ATOM 816 NH2 ARG A 52 -2.659 -9.363 -18.213 1.00 0.00 N ATOM 817 HA ARG A 52 1.004 -5.210 -13.792 1.00 0.00 H ATOM 818 HB2 ARG A 52 -1.850 -5.823 -12.982 1.00 0.00 H ATOM 819 HB3 ARG A 52 -1.422 -4.921 -14.455 1.00 0.00 H ATOM 820 HG2 ARG A 52 0.130 -7.320 -14.385 1.00 0.00 H ATOM 821 HG3 ARG A 52 -1.570 -7.739 -14.070 1.00 0.00 H ATOM 822 HD2 ARG A 52 -0.319 -6.491 -16.492 1.00 0.00 H ATOM 823 HD3 ARG A 52 -2.008 -6.099 -16.095 1.00 0.00 H ATOM 824 HE ARG A 52 -1.435 -8.980 -16.074 1.00 0.00 H ATOM 825 HH12 ARG A 52 -3.108 -7.150 -19.322 1.00 0.00 H ATOM 826 HH11 ARG A 52 -2.320 -6.147 -18.051 1.00 0.00 H ATOM 827 HH22 ARG A 52 -3.169 -9.427 -19.117 1.00 0.00 H ATOM 828 HH21 ARG A 52 -2.429 -10.228 -17.683 1.00 0.00 H ATOM 829 H ARG A 52 -0.184 -6.638 -11.519 1.00 0.00 H ATOM 830 N GLU A 53 -0.768 -3.555 -11.545 1.00 0.00 N ATOM 831 CA GLU A 53 -1.019 -2.226 -11.004 1.00 0.00 C ATOM 832 C GLU A 53 0.250 -1.633 -10.401 1.00 0.00 C ATOM 833 O GLU A 53 0.353 -0.420 -10.230 1.00 0.00 O ATOM 834 CB GLU A 53 -2.121 -2.277 -9.945 1.00 0.00 C ATOM 835 CG GLU A 53 -3.529 -2.206 -10.516 1.00 0.00 C ATOM 836 CD GLU A 53 -3.735 -1.025 -11.445 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.306 -1.106 -12.615 1.00 0.00 O ATOM 838 OE2 GLU A 53 -4.334 -0.022 -11.003 1.00 0.00 O ATOM 839 HA GLU A 53 -1.344 -1.588 -11.825 1.00 0.00 H ATOM 840 HB2 GLU A 53 -2.022 -3.210 -9.391 1.00 0.00 H ATOM 841 HB3 GLU A 53 -1.983 -1.436 -9.265 1.00 0.00 H ATOM 842 HG2 GLU A 53 -3.725 -3.123 -11.071 1.00 0.00 H ATOM 843 HG3 GLU A 53 -4.235 -2.125 -9.690 1.00 0.00 H ATOM 844 H GLU A 53 -1.206 -4.380 -11.088 1.00 0.00 H ATOM 845 N LEU A 54 1.218 -2.490 -10.079 1.00 0.00 N ATOM 846 CA LEU A 54 2.474 -2.031 -9.497 1.00 0.00 C ATOM 847 C LEU A 54 3.147 -1.020 -10.411 1.00 0.00 C ATOM 848 O LEU A 54 3.612 0.026 -9.961 1.00 0.00 O ATOM 849 CB LEU A 54 3.410 -3.211 -9.247 1.00 0.00 C ATOM 850 CG LEU A 54 3.891 -3.359 -7.806 1.00 0.00 C ATOM 851 CD1 LEU A 54 2.717 -3.307 -6.839 1.00 0.00 C ATOM 852 CD2 LEU A 54 4.665 -4.655 -7.647 1.00 0.00 C ATOM 853 HA LEU A 54 2.252 -1.550 -8.544 1.00 0.00 H ATOM 854 HB2 LEU A 54 2.884 -4.125 -9.524 1.00 0.00 H ATOM 855 HB3 LEU A 54 4.285 -3.090 -9.885 1.00 0.00 H ATOM 856 HG LEU A 54 4.555 -2.527 -7.571 1.00 0.00 H ATOM 857 HD21 LEU A 54 4.018 -5.496 -7.898 1.00 0.00 H ATOM 858 HD22 LEU A 54 5.527 -4.646 -8.314 1.00 0.00 H ATOM 859 HD23 LEU A 54 5.003 -4.750 -6.615 1.00 0.00 H ATOM 860 HD11 LEU A 54 2.204 -2.351 -6.943 1.00 0.00 H ATOM 861 HD12 LEU A 54 2.025 -4.118 -7.065 1.00 0.00 H ATOM 862 HD13 LEU A 54 3.084 -3.414 -5.818 1.00 0.00 H ATOM 863 H LEU A 54 1.075 -3.507 -10.246 1.00 0.00 H ATOM 864 N GLN A 55 3.173 -1.326 -11.701 1.00 0.00 N ATOM 865 CA GLN A 55 3.763 -0.426 -12.678 1.00 0.00 C ATOM 866 C GLN A 55 2.964 0.869 -12.708 1.00 0.00 C ATOM 867 O GLN A 55 3.514 1.955 -12.891 1.00 0.00 O ATOM 868 CB GLN A 55 3.779 -1.078 -14.063 1.00 0.00 C ATOM 869 CG GLN A 55 5.179 -1.354 -14.589 1.00 0.00 C ATOM 870 CD GLN A 55 5.284 -2.693 -15.291 1.00 0.00 C ATOM 871 OE1 GLN A 55 5.823 -3.654 -14.742 1.00 0.00 O ATOM 872 NE2 GLN A 55 4.768 -2.763 -16.513 1.00 0.00 N ATOM 873 HA GLN A 55 4.793 -0.209 -12.396 1.00 0.00 H ATOM 874 HB2 GLN A 55 3.239 -2.023 -14.006 1.00 0.00 H ATOM 875 HB3 GLN A 55 3.272 -0.414 -14.763 1.00 0.00 H ATOM 876 HG2 GLN A 55 5.449 -0.568 -15.294 1.00 0.00 H ATOM 877 HG3 GLN A 55 5.876 -1.343 -13.751 1.00 0.00 H ATOM 878 HE22 GLN A 55 4.322 -1.925 -16.938 1.00 0.00 H ATOM 879 HE21 GLN A 55 4.810 -3.656 -17.045 1.00 0.00 H ATOM 880 H GLN A 55 2.763 -2.227 -12.020 1.00 0.00 H ATOM 881 N GLU A 56 1.657 0.733 -12.508 1.00 0.00 N ATOM 882 CA GLU A 56 0.756 1.874 -12.489 1.00 0.00 C ATOM 883 C GLU A 56 0.854 2.621 -11.165 1.00 0.00 C ATOM 884 O GLU A 56 0.522 3.800 -11.090 1.00 0.00 O ATOM 885 CB GLU A 56 -0.685 1.414 -12.707 1.00 0.00 C ATOM 886 CG GLU A 56 -1.518 2.381 -13.533 1.00 0.00 C ATOM 887 CD GLU A 56 -2.542 3.130 -12.700 1.00 0.00 C ATOM 888 OE1 GLU A 56 -3.009 2.569 -11.685 1.00 0.00 O ATOM 889 OE2 GLU A 56 -2.876 4.277 -13.063 1.00 0.00 O ATOM 890 HA GLU A 56 1.049 2.547 -13.295 1.00 0.00 H ATOM 891 HB2 GLU A 56 -0.665 0.452 -13.219 1.00 0.00 H ATOM 892 HB3 GLU A 56 -1.160 1.296 -11.733 1.00 0.00 H ATOM 893 HG2 GLU A 56 -0.851 3.105 -14.000 1.00 0.00 H ATOM 894 HG3 GLU A 56 -2.041 1.819 -14.307 1.00 0.00 H ATOM 895 H GLU A 56 1.267 -0.220 -12.360 1.00 0.00 H ATOM 896 N GLU A 57 1.289 1.924 -10.114 1.00 0.00 N ATOM 897 CA GLU A 57 1.401 2.539 -8.797 1.00 0.00 C ATOM 898 C GLU A 57 2.858 2.759 -8.392 1.00 0.00 C ATOM 899 O GLU A 57 3.139 3.197 -7.276 1.00 0.00 O ATOM 900 CB GLU A 57 0.689 1.676 -7.755 1.00 0.00 C ATOM 901 CG GLU A 57 -0.824 1.836 -7.765 1.00 0.00 C ATOM 902 CD GLU A 57 -1.408 1.833 -9.164 1.00 0.00 C ATOM 903 OE1 GLU A 57 -1.488 2.919 -9.775 1.00 0.00 O ATOM 904 OE2 GLU A 57 -1.786 0.746 -9.647 1.00 0.00 O ATOM 905 HA GLU A 57 0.924 3.518 -8.847 1.00 0.00 H ATOM 906 HB2 GLU A 57 0.927 0.631 -7.952 1.00 0.00 H ATOM 907 HB3 GLU A 57 1.059 1.952 -6.767 1.00 0.00 H ATOM 908 HG2 GLU A 57 -1.265 1.013 -7.202 1.00 0.00 H ATOM 909 HG3 GLU A 57 -1.077 2.781 -7.284 1.00 0.00 H ATOM 910 H GLU A 57 1.553 0.925 -10.236 1.00 0.00 H ATOM 911 N VAL A 58 3.780 2.472 -9.305 1.00 0.00 N ATOM 912 CA VAL A 58 5.200 2.660 -9.044 1.00 0.00 C ATOM 913 C VAL A 58 5.856 3.340 -10.231 1.00 0.00 C ATOM 914 O VAL A 58 6.641 4.276 -10.075 1.00 0.00 O ATOM 915 CB VAL A 58 5.914 1.320 -8.769 1.00 0.00 C ATOM 916 CG1 VAL A 58 7.362 1.556 -8.370 1.00 0.00 C ATOM 917 CG2 VAL A 58 5.190 0.533 -7.690 1.00 0.00 C ATOM 918 HA VAL A 58 5.291 3.284 -8.155 1.00 0.00 H ATOM 919 HB VAL A 58 5.899 0.735 -9.689 1.00 0.00 H ATOM 920 HG11 VAL A 58 7.880 2.073 -9.177 1.00 0.00 H ATOM 921 HG12 VAL A 58 7.394 2.165 -7.467 1.00 0.00 H ATOM 922 HG13 VAL A 58 7.846 0.598 -8.181 1.00 0.00 H ATOM 923 HG21 VAL A 58 5.169 1.116 -6.769 1.00 0.00 H ATOM 924 HG22 VAL A 58 4.170 0.328 -8.015 1.00 0.00 H ATOM 925 HG23 VAL A 58 5.713 -0.407 -7.515 1.00 0.00 H ATOM 926 H VAL A 58 3.479 2.104 -10.230 1.00 0.00 H ATOM 927 N GLY A 59 5.509 2.866 -11.425 1.00 0.00 N ATOM 928 CA GLY A 59 6.042 3.429 -12.648 1.00 0.00 C ATOM 929 C GLY A 59 7.522 3.179 -12.844 1.00 0.00 C ATOM 930 O GLY A 59 7.974 2.907 -13.956 1.00 0.00 O ATOM 931 HA3 GLY A 59 5.875 4.506 -12.632 1.00 0.00 H ATOM 932 HA2 GLY A 59 5.505 2.992 -13.490 1.00 0.00 H ATOM 933 H GLY A 59 4.839 2.072 -11.481 1.00 0.00 H ATOM 934 N ILE A 60 8.271 3.281 -11.768 1.00 0.00 N ATOM 935 CA ILE A 60 9.708 3.076 -11.809 1.00 0.00 C ATOM 936 C ILE A 60 10.048 1.595 -11.865 1.00 0.00 C ATOM 937 O ILE A 60 9.162 0.743 -11.932 1.00 0.00 O ATOM 938 CB ILE A 60 10.435 3.699 -10.592 1.00 0.00 C ATOM 939 CG1 ILE A 60 9.506 3.903 -9.395 1.00 0.00 C ATOM 940 CG2 ILE A 60 11.096 5.013 -10.979 1.00 0.00 C ATOM 941 CD1 ILE A 60 10.223 3.796 -8.065 1.00 0.00 C ATOM 942 HA ILE A 60 10.053 3.577 -12.714 1.00 0.00 H ATOM 943 HB ILE A 60 11.202 2.988 -10.285 1.00 0.00 H ATOM 944 HG12 ILE A 60 9.056 4.893 -9.469 1.00 0.00 H ATOM 945 HG13 ILE A 60 8.723 3.146 -9.430 1.00 0.00 H ATOM 946 HD11 ILE A 60 10.670 2.806 -7.973 1.00 0.00 H ATOM 947 HD12 ILE A 60 11.004 4.555 -8.012 1.00 0.00 H ATOM 948 HD13 ILE A 60 9.509 3.950 -7.256 1.00 0.00 H ATOM 949 HG21 ILE A 60 11.823 4.833 -11.771 1.00 0.00 H ATOM 950 HG22 ILE A 60 10.336 5.710 -11.332 1.00 0.00 H ATOM 951 HG23 ILE A 60 11.601 5.434 -10.110 1.00 0.00 H ATOM 952 H ILE A 60 7.821 3.516 -10.860 1.00 0.00 H ATOM 953 N THR A 61 11.342 1.301 -11.839 1.00 0.00 N ATOM 954 CA THR A 61 11.824 -0.059 -11.884 1.00 0.00 C ATOM 955 C THR A 61 12.493 -0.419 -10.563 1.00 0.00 C ATOM 956 O THR A 61 13.693 -0.205 -10.391 1.00 0.00 O ATOM 957 CB THR A 61 12.830 -0.173 -13.014 1.00 0.00 C ATOM 958 OG1 THR A 61 13.480 1.068 -13.229 1.00 0.00 O ATOM 959 CG2 THR A 61 12.210 -0.596 -14.326 1.00 0.00 C ATOM 960 HA THR A 61 10.991 -0.743 -12.050 1.00 0.00 H ATOM 961 HB THR A 61 13.535 -0.942 -12.699 1.00 0.00 H ATOM 962 HG1 THR A 61 13.954 1.339 -12.403 1.00 0.00 H ATOM 963 HG23 THR A 61 11.700 -1.550 -14.195 1.00 0.00 H ATOM 964 HG21 THR A 61 11.493 0.159 -14.648 1.00 0.00 H ATOM 965 HG22 THR A 61 12.991 -0.701 -15.079 1.00 0.00 H ATOM 966 H THR A 61 12.032 2.077 -11.784 1.00 0.00 H ATOM 967 N PRO A 62 11.722 -0.926 -9.592 1.00 0.00 N ATOM 968 CA PRO A 62 12.218 -1.261 -8.277 1.00 0.00 C ATOM 969 C PRO A 62 12.258 -2.752 -7.994 1.00 0.00 C ATOM 970 O PRO A 62 11.358 -3.487 -8.400 1.00 0.00 O ATOM 971 CB PRO A 62 11.112 -0.636 -7.444 1.00 0.00 C ATOM 972 CG PRO A 62 9.864 -1.000 -8.190 1.00 0.00 C ATOM 973 CD PRO A 62 10.270 -1.159 -9.641 1.00 0.00 C ATOM 974 HA PRO A 62 13.242 -0.929 -8.105 1.00 0.00 H ATOM 975 HD3 PRO A 62 10.043 -2.161 -10.006 1.00 0.00 H ATOM 976 HD2 PRO A 62 9.773 -0.422 -10.272 1.00 0.00 H ATOM 977 HG3 PRO A 62 9.120 -0.210 -8.090 1.00 0.00 H ATOM 978 HG2 PRO A 62 9.454 -1.935 -7.807 1.00 0.00 H ATOM 979 HB2 PRO A 62 11.100 -1.052 -6.437 1.00 0.00 H ATOM 980 HB3 PRO A 62 11.231 0.446 -7.387 1.00 0.00 H ATOM 981 N GLN A 63 13.253 -3.193 -7.229 1.00 0.00 N ATOM 982 CA GLN A 63 13.301 -4.589 -6.844 1.00 0.00 C ATOM 983 C GLN A 63 12.235 -4.753 -5.780 1.00 0.00 C ATOM 984 O GLN A 63 12.506 -4.711 -4.580 1.00 0.00 O ATOM 985 CB GLN A 63 14.679 -4.971 -6.305 1.00 0.00 C ATOM 986 CG GLN A 63 15.823 -4.445 -7.153 1.00 0.00 C ATOM 987 CD GLN A 63 17.177 -4.658 -6.504 1.00 0.00 C ATOM 988 OE1 GLN A 63 17.269 -5.154 -5.381 1.00 0.00 O ATOM 989 NE2 GLN A 63 18.237 -4.281 -7.209 1.00 0.00 N ATOM 990 HA GLN A 63 13.123 -5.243 -7.697 1.00 0.00 H ATOM 991 HB2 GLN A 63 14.781 -4.567 -5.298 1.00 0.00 H ATOM 992 HB3 GLN A 63 14.747 -6.058 -6.268 1.00 0.00 H ATOM 993 HG2 GLN A 63 15.811 -4.960 -8.114 1.00 0.00 H ATOM 994 HG3 GLN A 63 15.677 -3.377 -7.313 1.00 0.00 H ATOM 995 HE22 GLN A 63 18.112 -3.866 -8.154 1.00 0.00 H ATOM 996 HE21 GLN A 63 19.192 -4.400 -6.816 1.00 0.00 H ATOM 997 H GLN A 63 13.994 -2.538 -6.908 1.00 0.00 H ATOM 998 N HIS A 64 11.007 -4.863 -6.255 1.00 0.00 N ATOM 999 CA HIS A 64 9.839 -4.948 -5.397 1.00 0.00 C ATOM 1000 C HIS A 64 9.076 -6.239 -5.644 1.00 0.00 C ATOM 1001 O HIS A 64 8.751 -6.570 -6.784 1.00 0.00 O ATOM 1002 CB HIS A 64 8.966 -3.722 -5.694 1.00 0.00 C ATOM 1003 CG HIS A 64 7.520 -3.844 -5.303 1.00 0.00 C ATOM 1004 ND1 HIS A 64 7.053 -4.746 -4.369 1.00 0.00 N ATOM 1005 CD2 HIS A 64 6.432 -3.166 -5.740 1.00 0.00 C ATOM 1006 CE1 HIS A 64 5.743 -4.619 -4.254 1.00 0.00 C ATOM 1007 NE2 HIS A 64 5.342 -3.666 -5.073 1.00 0.00 N ATOM 1008 HA HIS A 64 10.134 -4.957 -4.348 1.00 0.00 H ATOM 1009 HB2 HIS A 64 9.388 -2.872 -5.158 1.00 0.00 H ATOM 1010 HB3 HIS A 64 9.009 -3.531 -6.766 1.00 0.00 H ATOM 1011 HD2 HIS A 64 6.424 -2.370 -6.484 1.00 0.00 H ATOM 1012 HE1 HIS A 64 5.102 -5.203 -3.594 1.00 0.00 H ATOM 1013 H HIS A 64 10.872 -4.890 -7.286 1.00 0.00 H ATOM 1014 N PHE A 65 8.800 -6.974 -4.570 1.00 0.00 N ATOM 1015 CA PHE A 65 8.087 -8.234 -4.689 1.00 0.00 C ATOM 1016 C PHE A 65 7.870 -8.892 -3.329 1.00 0.00 C ATOM 1017 O PHE A 65 8.469 -8.493 -2.333 1.00 0.00 O ATOM 1018 CB PHE A 65 8.892 -9.168 -5.569 1.00 0.00 C ATOM 1019 CG PHE A 65 8.062 -10.184 -6.299 1.00 0.00 C ATOM 1020 CD1 PHE A 65 7.066 -9.779 -7.173 1.00 0.00 C ATOM 1021 CD2 PHE A 65 8.277 -11.541 -6.116 1.00 0.00 C ATOM 1022 CE1 PHE A 65 6.299 -10.707 -7.851 1.00 0.00 C ATOM 1023 CE2 PHE A 65 7.512 -12.474 -6.791 1.00 0.00 C ATOM 1024 CZ PHE A 65 6.522 -12.056 -7.660 1.00 0.00 C ATOM 1025 HA PHE A 65 7.108 -8.034 -5.125 1.00 0.00 H ATOM 1026 HB2 PHE A 65 9.428 -8.569 -6.306 1.00 0.00 H ATOM 1027 HB3 PHE A 65 9.609 -9.697 -4.942 1.00 0.00 H ATOM 1028 HD2 PHE A 65 9.057 -11.876 -5.433 1.00 0.00 H ATOM 1029 HE2 PHE A 65 7.690 -13.538 -6.638 1.00 0.00 H ATOM 1030 HZ PHE A 65 5.918 -12.790 -8.194 1.00 0.00 H ATOM 1031 HE1 PHE A 65 5.519 -10.374 -8.536 1.00 0.00 H ATOM 1032 HD1 PHE A 65 6.885 -8.715 -7.328 1.00 0.00 H ATOM 1033 H PHE A 65 9.099 -6.641 -3.631 1.00 0.00 H ATOM 1034 N SER A 66 7.013 -9.916 -3.311 1.00 0.00 N ATOM 1035 CA SER A 66 6.693 -10.667 -2.094 1.00 0.00 C ATOM 1036 C SER A 66 5.596 -9.965 -1.306 1.00 0.00 C ATOM 1037 O SER A 66 5.479 -8.742 -1.346 1.00 0.00 O ATOM 1038 CB SER A 66 7.931 -10.865 -1.210 1.00 0.00 C ATOM 1039 OG SER A 66 9.019 -11.389 -1.954 1.00 0.00 O ATOM 1040 HA SER A 66 6.338 -11.651 -2.401 1.00 0.00 H ATOM 1041 HB2 SER A 66 7.685 -11.557 -0.405 1.00 0.00 H ATOM 1042 HB3 SER A 66 8.221 -9.904 -0.785 1.00 0.00 H ATOM 1043 HG SER A 66 9.250 -10.762 -2.684 1.00 0.00 H ATOM 1044 H SER A 66 6.552 -10.193 -4.201 1.00 0.00 H ATOM 1045 N LEU A 67 4.786 -10.747 -0.599 1.00 0.00 N ATOM 1046 CA LEU A 67 3.693 -10.190 0.188 1.00 0.00 C ATOM 1047 C LEU A 67 3.998 -10.252 1.682 1.00 0.00 C ATOM 1048 O LEU A 67 4.346 -11.307 2.213 1.00 0.00 O ATOM 1049 CB LEU A 67 2.383 -10.925 -0.119 1.00 0.00 C ATOM 1050 CG LEU A 67 2.180 -12.250 0.621 1.00 0.00 C ATOM 1051 CD1 LEU A 67 1.587 -12.006 2.001 1.00 0.00 C ATOM 1052 CD2 LEU A 67 1.288 -13.178 -0.189 1.00 0.00 C ATOM 1053 HA LEU A 67 3.582 -9.142 -0.089 1.00 0.00 H ATOM 1054 HB2 LEU A 67 1.557 -10.264 0.144 1.00 0.00 H ATOM 1055 HB3 LEU A 67 2.356 -11.130 -1.189 1.00 0.00 H ATOM 1056 HG LEU A 67 3.151 -12.728 0.747 1.00 0.00 H ATOM 1057 HD21 LEU A 67 0.318 -12.705 -0.343 1.00 0.00 H ATOM 1058 HD22 LEU A 67 1.754 -13.377 -1.154 1.00 0.00 H ATOM 1059 HD23 LEU A 67 1.154 -14.115 0.352 1.00 0.00 H ATOM 1060 HD11 LEU A 67 2.264 -11.377 2.580 1.00 0.00 H ATOM 1061 HD12 LEU A 67 0.624 -11.507 1.898 1.00 0.00 H ATOM 1062 HD13 LEU A 67 1.451 -12.960 2.510 1.00 0.00 H ATOM 1063 H LEU A 67 4.935 -11.776 -0.608 1.00 0.00 H ATOM 1064 N PHE A 68 3.856 -9.114 2.352 1.00 0.00 N ATOM 1065 CA PHE A 68 4.107 -9.033 3.785 1.00 0.00 C ATOM 1066 C PHE A 68 2.916 -9.591 4.563 1.00 0.00 C ATOM 1067 O PHE A 68 3.084 -10.303 5.553 1.00 0.00 O ATOM 1068 CB PHE A 68 4.397 -7.574 4.182 1.00 0.00 C ATOM 1069 CG PHE A 68 3.618 -7.072 5.371 1.00 0.00 C ATOM 1070 CD1 PHE A 68 2.268 -6.780 5.260 1.00 0.00 C ATOM 1071 CD2 PHE A 68 4.241 -6.887 6.594 1.00 0.00 C ATOM 1072 CE1 PHE A 68 1.553 -6.313 6.346 1.00 0.00 C ATOM 1073 CE2 PHE A 68 3.531 -6.422 7.685 1.00 0.00 C ATOM 1074 CZ PHE A 68 2.185 -6.134 7.561 1.00 0.00 C ATOM 1075 HA PHE A 68 4.981 -9.636 4.033 1.00 0.00 H ATOM 1076 HB2 PHE A 68 5.459 -7.491 4.413 1.00 0.00 H ATOM 1077 HB3 PHE A 68 4.161 -6.938 3.329 1.00 0.00 H ATOM 1078 HD2 PHE A 68 5.303 -7.111 6.697 1.00 0.00 H ATOM 1079 HE2 PHE A 68 4.032 -6.283 8.643 1.00 0.00 H ATOM 1080 HZ PHE A 68 1.624 -5.766 8.420 1.00 0.00 H ATOM 1081 HE1 PHE A 68 0.492 -6.086 6.244 1.00 0.00 H ATOM 1082 HD1 PHE A 68 1.764 -6.921 4.304 1.00 0.00 H ATOM 1083 H PHE A 68 3.558 -8.259 1.841 1.00 0.00 H ATOM 1084 N GLU A 69 1.716 -9.259 4.102 1.00 0.00 N ATOM 1085 CA GLU A 69 0.489 -9.718 4.742 1.00 0.00 C ATOM 1086 C GLU A 69 -0.723 -9.366 3.886 1.00 0.00 C ATOM 1087 O GLU A 69 -0.622 -8.579 2.946 1.00 0.00 O ATOM 1088 CB GLU A 69 0.348 -9.093 6.132 1.00 0.00 C ATOM 1089 CG GLU A 69 -0.260 -10.032 7.161 1.00 0.00 C ATOM 1090 CD GLU A 69 -0.358 -9.402 8.537 1.00 0.00 C ATOM 1091 OE1 GLU A 69 0.616 -8.745 8.960 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -1.409 -9.566 9.191 1.00 0.00 O ATOM 1093 HA GLU A 69 0.540 -10.802 4.847 1.00 0.00 H ATOM 1094 HB2 GLU A 69 1.338 -8.795 6.479 1.00 0.00 H ATOM 1095 HB3 GLU A 69 -0.288 -8.211 6.051 1.00 0.00 H ATOM 1096 HG2 GLU A 69 -1.261 -10.311 6.832 1.00 0.00 H ATOM 1097 HG3 GLU A 69 0.361 -10.926 7.229 1.00 0.00 H ATOM 1098 H GLU A 69 1.649 -8.653 3.259 1.00 0.00 H ATOM 1099 N LYS A 70 -1.870 -9.951 4.212 1.00 0.00 N ATOM 1100 CA LYS A 70 -3.093 -9.689 3.465 1.00 0.00 C ATOM 1101 C LYS A 70 -4.304 -9.651 4.391 1.00 0.00 C ATOM 1102 O LYS A 70 -4.488 -10.537 5.226 1.00 0.00 O ATOM 1103 CB LYS A 70 -3.295 -10.754 2.385 1.00 0.00 C ATOM 1104 CG LYS A 70 -3.049 -12.172 2.877 1.00 0.00 C ATOM 1105 CD LYS A 70 -3.124 -13.177 1.739 1.00 0.00 C ATOM 1106 CE LYS A 70 -2.064 -14.259 1.878 1.00 0.00 C ATOM 1107 NZ LYS A 70 -2.608 -15.612 1.578 1.00 0.00 N ATOM 1108 HA LYS A 70 -2.994 -8.713 2.990 1.00 0.00 H ATOM 1109 HB2 LYS A 70 -4.321 -10.688 2.022 1.00 0.00 H ATOM 1110 HB3 LYS A 70 -2.607 -10.549 1.565 1.00 0.00 H ATOM 1111 HG2 LYS A 70 -2.059 -12.223 3.331 1.00 0.00 H ATOM 1112 HG3 LYS A 70 -3.803 -12.424 3.623 1.00 0.00 H ATOM 1113 HD2 LYS A 70 -4.109 -13.644 1.743 1.00 0.00 H ATOM 1114 HD3 LYS A 70 -2.975 -12.654 0.794 1.00 0.00 H ATOM 1115 HE2 LYS A 70 -1.683 -14.251 2.899 1.00 0.00 H ATOM 1116 HE3 LYS A 70 -1.249 -14.045 1.186 1.00 0.00 H ATOM 1117 HZ1 LYS A 70 -3.382 -15.827 2.238 1.00 0.00 H ATOM 1118 HZ2 LYS A 70 -2.968 -15.631 0.602 1.00 0.00 H ATOM 1119 HZ3 LYS A 70 -1.853 -16.319 1.685 1.00 0.00 H ATOM 1120 H LYS A 70 -1.896 -10.609 5.017 1.00 0.00 H ATOM 1121 N LEU A 71 -5.129 -8.620 4.236 1.00 0.00 N ATOM 1122 CA LEU A 71 -6.324 -8.468 5.057 1.00 0.00 C ATOM 1123 C LEU A 71 -7.586 -8.547 4.205 1.00 0.00 C ATOM 1124 O LEU A 71 -7.764 -7.770 3.267 1.00 0.00 O ATOM 1125 CB LEU A 71 -6.286 -7.136 5.810 1.00 0.00 C ATOM 1126 CG LEU A 71 -6.086 -5.897 4.933 1.00 0.00 C ATOM 1127 CD1 LEU A 71 -6.692 -4.671 5.596 1.00 0.00 C ATOM 1128 CD2 LEU A 71 -4.608 -5.675 4.649 1.00 0.00 C ATOM 1129 HA LEU A 71 -6.343 -9.285 5.778 1.00 0.00 H ATOM 1130 HB2 LEU A 71 -7.230 -7.023 6.344 1.00 0.00 H ATOM 1131 HB3 LEU A 71 -5.467 -7.177 6.528 1.00 0.00 H ATOM 1132 HG LEU A 71 -6.596 -6.062 3.984 1.00 0.00 H ATOM 1133 HD21 LEU A 71 -4.076 -5.532 5.590 1.00 0.00 H ATOM 1134 HD22 LEU A 71 -4.204 -6.545 4.130 1.00 0.00 H ATOM 1135 HD23 LEU A 71 -4.488 -4.790 4.024 1.00 0.00 H ATOM 1136 HD11 LEU A 71 -7.760 -4.831 5.745 1.00 0.00 H ATOM 1137 HD12 LEU A 71 -6.210 -4.505 6.559 1.00 0.00 H ATOM 1138 HD13 LEU A 71 -6.539 -3.801 4.957 1.00 0.00 H ATOM 1139 H LEU A 71 -4.917 -7.905 3.512 1.00 0.00 H ATOM 1140 N GLU A 72 -8.461 -9.491 4.536 1.00 0.00 N ATOM 1141 CA GLU A 72 -9.704 -9.670 3.803 1.00 0.00 C ATOM 1142 C GLU A 72 -10.904 -9.501 4.733 1.00 0.00 C ATOM 1143 O GLU A 72 -11.159 -10.342 5.594 1.00 0.00 O ATOM 1144 CB GLU A 72 -9.726 -11.054 3.145 1.00 0.00 C ATOM 1145 CG GLU A 72 -11.112 -11.520 2.738 1.00 0.00 C ATOM 1146 CD GLU A 72 -11.088 -12.827 1.969 1.00 0.00 C ATOM 1147 OE1 GLU A 72 -10.355 -12.909 0.961 1.00 0.00 O ATOM 1148 OE2 GLU A 72 -11.801 -13.768 2.375 1.00 0.00 O ATOM 1149 HA GLU A 72 -9.766 -8.909 3.025 1.00 0.00 H ATOM 1150 HB2 GLU A 72 -9.099 -11.020 2.254 1.00 0.00 H ATOM 1151 HB3 GLU A 72 -9.314 -11.776 3.850 1.00 0.00 H ATOM 1152 HG2 GLU A 72 -11.713 -11.655 3.637 1.00 0.00 H ATOM 1153 HG3 GLU A 72 -11.567 -10.754 2.110 1.00 0.00 H ATOM 1154 H GLU A 72 -8.251 -10.117 5.339 1.00 0.00 H ATOM 1155 N TYR A 73 -11.636 -8.407 4.550 1.00 0.00 N ATOM 1156 CA TYR A 73 -12.809 -8.124 5.369 1.00 0.00 C ATOM 1157 C TYR A 73 -13.924 -7.520 4.522 1.00 0.00 C ATOM 1158 O TYR A 73 -13.662 -6.826 3.540 1.00 0.00 O ATOM 1159 CB TYR A 73 -12.444 -7.172 6.509 1.00 0.00 C ATOM 1160 CG TYR A 73 -13.558 -6.972 7.512 1.00 0.00 C ATOM 1161 CD1 TYR A 73 -13.878 -7.963 8.431 1.00 0.00 C ATOM 1162 CD2 TYR A 73 -14.291 -5.792 7.538 1.00 0.00 C ATOM 1163 CE1 TYR A 73 -14.896 -7.784 9.349 1.00 0.00 C ATOM 1164 CE2 TYR A 73 -15.310 -5.605 8.452 1.00 0.00 C ATOM 1165 CZ TYR A 73 -15.609 -6.604 9.355 1.00 0.00 C ATOM 1166 OH TYR A 73 -16.623 -6.421 10.267 1.00 0.00 O ATOM 1167 HA TYR A 73 -13.164 -9.063 5.792 1.00 0.00 H ATOM 1168 HB3 TYR A 73 -12.188 -6.203 6.080 1.00 0.00 H ATOM 1169 HB2 TYR A 73 -11.578 -7.577 7.032 1.00 0.00 H ATOM 1170 HD2 TYR A 73 -14.058 -5.001 6.825 1.00 0.00 H ATOM 1171 HE2 TYR A 73 -15.875 -4.673 8.460 1.00 0.00 H ATOM 1172 HE1 TYR A 73 -15.134 -8.571 10.064 1.00 0.00 H ATOM 1173 HD1 TYR A 73 -13.317 -8.898 8.428 1.00 0.00 H ATOM 1174 HH TYR A 73 -16.704 -7.228 10.835 1.00 0.00 H ATOM 1175 H TYR A 73 -11.365 -7.735 3.803 1.00 0.00 H ATOM 1176 N GLU A 74 -15.168 -7.784 4.907 1.00 0.00 N ATOM 1177 CA GLU A 74 -16.315 -7.258 4.175 1.00 0.00 C ATOM 1178 C GLU A 74 -17.197 -6.400 5.075 1.00 0.00 C ATOM 1179 O GLU A 74 -17.726 -6.870 6.083 1.00 0.00 O ATOM 1180 CB GLU A 74 -17.141 -8.393 3.565 1.00 0.00 C ATOM 1181 CG GLU A 74 -17.367 -9.564 4.506 1.00 0.00 C ATOM 1182 CD GLU A 74 -17.613 -10.866 3.768 1.00 0.00 C ATOM 1183 OE1 GLU A 74 -16.688 -11.341 3.077 1.00 0.00 O ATOM 1184 OE2 GLU A 74 -18.732 -11.410 3.882 1.00 0.00 O ATOM 1185 HA GLU A 74 -15.930 -6.632 3.370 1.00 0.00 H ATOM 1186 HB2 GLU A 74 -18.113 -7.993 3.275 1.00 0.00 H ATOM 1187 HB3 GLU A 74 -16.621 -8.759 2.680 1.00 0.00 H ATOM 1188 HG2 GLU A 74 -16.486 -9.681 5.136 1.00 0.00 H ATOM 1189 HG3 GLU A 74 -18.233 -9.348 5.131 1.00 0.00 H ATOM 1190 H GLU A 74 -15.327 -8.377 5.746 1.00 0.00 H ATOM 1191 N PHE A 75 -17.357 -5.142 4.689 1.00 0.00 N ATOM 1192 CA PHE A 75 -18.177 -4.200 5.429 1.00 0.00 C ATOM 1193 C PHE A 75 -19.656 -4.565 5.298 1.00 0.00 C ATOM 1194 O PHE A 75 -20.030 -5.342 4.421 1.00 0.00 O ATOM 1195 CB PHE A 75 -17.923 -2.783 4.915 1.00 0.00 C ATOM 1196 CG PHE A 75 -16.955 -1.986 5.751 1.00 0.00 C ATOM 1197 CD1 PHE A 75 -16.937 -2.100 7.134 1.00 0.00 C ATOM 1198 CD2 PHE A 75 -16.060 -1.118 5.145 1.00 0.00 C ATOM 1199 CE1 PHE A 75 -16.046 -1.365 7.893 1.00 0.00 C ATOM 1200 CE2 PHE A 75 -15.167 -0.381 5.900 1.00 0.00 C ATOM 1201 CZ PHE A 75 -15.160 -0.505 7.275 1.00 0.00 C ATOM 1202 HA PHE A 75 -17.909 -4.245 6.485 1.00 0.00 H ATOM 1203 HB2 PHE A 75 -17.524 -2.853 3.903 1.00 0.00 H ATOM 1204 HB3 PHE A 75 -18.874 -2.251 4.893 1.00 0.00 H ATOM 1205 HD2 PHE A 75 -16.060 -1.015 4.060 1.00 0.00 H ATOM 1206 HE2 PHE A 75 -14.469 0.298 5.410 1.00 0.00 H ATOM 1207 HZ PHE A 75 -14.456 0.075 7.872 1.00 0.00 H ATOM 1208 HE1 PHE A 75 -16.043 -1.464 8.978 1.00 0.00 H ATOM 1209 HD1 PHE A 75 -17.634 -2.777 7.628 1.00 0.00 H ATOM 1210 H PHE A 75 -16.878 -4.818 3.825 1.00 0.00 H ATOM 1211 N PRO A 76 -20.517 -4.015 6.173 1.00 0.00 N ATOM 1212 CA PRO A 76 -21.957 -4.284 6.159 1.00 0.00 C ATOM 1213 C PRO A 76 -22.571 -4.087 4.778 1.00 0.00 C ATOM 1214 O PRO A 76 -23.127 -3.031 4.478 1.00 0.00 O ATOM 1215 CB PRO A 76 -22.538 -3.269 7.156 1.00 0.00 C ATOM 1216 CG PRO A 76 -21.429 -2.313 7.443 1.00 0.00 C ATOM 1217 CD PRO A 76 -20.157 -3.081 7.237 1.00 0.00 C ATOM 1218 HA PRO A 76 -22.172 -5.320 6.423 1.00 0.00 H ATOM 1219 HD3 PRO A 76 -19.346 -2.423 6.926 1.00 0.00 H ATOM 1220 HD2 PRO A 76 -19.866 -3.611 8.144 1.00 0.00 H ATOM 1221 HG3 PRO A 76 -21.493 -1.955 8.471 1.00 0.00 H ATOM 1222 HG2 PRO A 76 -21.474 -1.464 6.761 1.00 0.00 H ATOM 1223 HB2 PRO A 76 -23.388 -2.747 6.717 1.00 0.00 H ATOM 1224 HB3 PRO A 76 -22.855 -3.771 8.070 1.00 0.00 H ATOM 1225 N ASP A 77 -22.454 -5.122 3.950 1.00 0.00 N ATOM 1226 CA ASP A 77 -22.981 -5.120 2.579 1.00 0.00 C ATOM 1227 C ASP A 77 -21.908 -4.711 1.571 1.00 0.00 C ATOM 1228 O ASP A 77 -22.216 -4.362 0.432 1.00 0.00 O ATOM 1229 CB ASP A 77 -24.199 -4.197 2.447 1.00 0.00 C ATOM 1230 CG ASP A 77 -25.108 -4.599 1.302 1.00 0.00 C ATOM 1231 OD1 ASP A 77 -25.844 -5.597 1.450 1.00 0.00 O ATOM 1232 OD2 ASP A 77 -25.084 -3.915 0.257 1.00 0.00 O ATOM 1233 HA ASP A 77 -23.295 -6.140 2.358 1.00 0.00 H ATOM 1234 HB2 ASP A 77 -24.768 -4.234 3.376 1.00 0.00 H ATOM 1235 HB3 ASP A 77 -23.850 -3.179 2.276 1.00 0.00 H ATOM 1236 H ASP A 77 -21.965 -5.975 4.290 1.00 0.00 H ATOM 1237 N ARG A 78 -20.649 -4.763 1.995 1.00 0.00 N ATOM 1238 CA ARG A 78 -19.533 -4.406 1.129 1.00 0.00 C ATOM 1239 C ARG A 78 -18.386 -5.400 1.292 1.00 0.00 C ATOM 1240 O ARG A 78 -18.158 -5.925 2.381 1.00 0.00 O ATOM 1241 CB ARG A 78 -19.050 -2.989 1.445 1.00 0.00 C ATOM 1242 CG ARG A 78 -17.927 -2.510 0.538 1.00 0.00 C ATOM 1243 CD ARG A 78 -17.481 -1.102 0.898 1.00 0.00 C ATOM 1244 NE ARG A 78 -16.053 -0.900 0.662 1.00 0.00 N ATOM 1245 CZ ARG A 78 -15.382 0.181 1.055 1.00 0.00 C ATOM 1246 NH1 ARG A 78 -16.004 1.158 1.702 1.00 0.00 N ATOM 1247 NH2 ARG A 78 -14.084 0.286 0.799 1.00 0.00 N ATOM 1248 HA ARG A 78 -19.876 -4.440 0.095 1.00 0.00 H ATOM 1249 HB2 ARG A 78 -19.893 -2.306 1.340 1.00 0.00 H ATOM 1250 HB3 ARG A 78 -18.694 -2.968 2.475 1.00 0.00 H ATOM 1251 HG2 ARG A 78 -17.078 -3.187 0.637 1.00 0.00 H ATOM 1252 HG3 ARG A 78 -18.277 -2.518 -0.494 1.00 0.00 H ATOM 1253 HD2 ARG A 78 -17.692 -0.925 1.953 1.00 0.00 H ATOM 1254 HD3 ARG A 78 -18.042 -0.390 0.293 1.00 0.00 H ATOM 1255 HE ARG A 78 -15.530 -1.644 0.158 1.00 0.00 H ATOM 1256 HH12 ARG A 78 -15.474 2.000 2.006 1.00 0.00 H ATOM 1257 HH11 ARG A 78 -17.021 1.082 1.905 1.00 0.00 H ATOM 1258 HH22 ARG A 78 -13.560 1.130 1.106 1.00 0.00 H ATOM 1259 HH21 ARG A 78 -13.591 -0.476 0.291 1.00 0.00 H ATOM 1260 H ARG A 78 -20.456 -5.067 2.971 1.00 0.00 H ATOM 1261 N HIS A 79 -17.665 -5.653 0.205 1.00 0.00 N ATOM 1262 CA HIS A 79 -16.541 -6.583 0.232 1.00 0.00 C ATOM 1263 C HIS A 79 -15.248 -5.874 -0.155 1.00 0.00 C ATOM 1264 O HIS A 79 -14.974 -5.663 -1.336 1.00 0.00 O ATOM 1265 CB HIS A 79 -16.798 -7.756 -0.716 1.00 0.00 C ATOM 1266 CG HIS A 79 -16.017 -8.986 -0.370 1.00 0.00 C ATOM 1267 ND1 HIS A 79 -16.006 -10.117 -1.160 1.00 0.00 N ATOM 1268 CD2 HIS A 79 -15.217 -9.260 0.688 1.00 0.00 C ATOM 1269 CE1 HIS A 79 -15.233 -11.033 -0.602 1.00 0.00 C ATOM 1270 NE2 HIS A 79 -14.743 -10.537 0.519 1.00 0.00 N ATOM 1271 HA HIS A 79 -16.438 -6.965 1.248 1.00 0.00 H ATOM 1272 HB2 HIS A 79 -17.860 -8.000 -0.683 1.00 0.00 H ATOM 1273 HB3 HIS A 79 -16.529 -7.449 -1.726 1.00 0.00 H ATOM 1274 HD2 HIS A 79 -14.992 -8.591 1.519 1.00 0.00 H ATOM 1275 HE1 HIS A 79 -15.034 -12.028 -1.000 1.00 0.00 H ATOM 1276 H HIS A 79 -17.908 -5.176 -0.687 1.00 0.00 H ATOM 1277 N ILE A 80 -14.458 -5.502 0.847 1.00 0.00 N ATOM 1278 CA ILE A 80 -13.200 -4.813 0.613 1.00 0.00 C ATOM 1279 C ILE A 80 -12.011 -5.738 0.867 1.00 0.00 C ATOM 1280 O ILE A 80 -11.839 -6.259 1.969 1.00 0.00 O ATOM 1281 CB ILE A 80 -13.083 -3.559 1.508 1.00 0.00 C ATOM 1282 CG1 ILE A 80 -11.659 -3.011 1.479 1.00 0.00 C ATOM 1283 CG2 ILE A 80 -13.498 -3.881 2.937 1.00 0.00 C ATOM 1284 CD1 ILE A 80 -11.523 -1.639 2.104 1.00 0.00 C ATOM 1285 HA ILE A 80 -13.187 -4.504 -0.432 1.00 0.00 H ATOM 1286 HB ILE A 80 -13.755 -2.796 1.117 1.00 0.00 H ATOM 1287 HG12 ILE A 80 -11.013 -3.702 2.020 1.00 0.00 H ATOM 1288 HG13 ILE A 80 -11.334 -2.950 0.440 1.00 0.00 H ATOM 1289 HD11 ILE A 80 -12.155 -0.932 1.566 1.00 0.00 H ATOM 1290 HD12 ILE A 80 -11.833 -1.684 3.148 1.00 0.00 H ATOM 1291 HD13 ILE A 80 -10.484 -1.316 2.046 1.00 0.00 H ATOM 1292 HG21 ILE A 80 -14.532 -4.226 2.945 1.00 0.00 H ATOM 1293 HG22 ILE A 80 -12.850 -4.662 3.335 1.00 0.00 H ATOM 1294 HG23 ILE A 80 -13.408 -2.985 3.551 1.00 0.00 H ATOM 1295 H ILE A 80 -14.748 -5.709 1.824 1.00 0.00 H ATOM 1296 N THR A 81 -11.192 -5.928 -0.161 1.00 0.00 N ATOM 1297 CA THR A 81 -10.013 -6.780 -0.055 1.00 0.00 C ATOM 1298 C THR A 81 -8.742 -5.937 -0.091 1.00 0.00 C ATOM 1299 O THR A 81 -8.515 -5.183 -1.036 1.00 0.00 O ATOM 1300 CB THR A 81 -9.995 -7.807 -1.191 1.00 0.00 C ATOM 1301 OG1 THR A 81 -11.264 -7.888 -1.816 1.00 0.00 O ATOM 1302 CG2 THR A 81 -9.621 -9.199 -0.733 1.00 0.00 C ATOM 1303 HA THR A 81 -10.054 -7.309 0.897 1.00 0.00 H ATOM 1304 HB THR A 81 -9.234 -7.453 -1.887 1.00 0.00 H ATOM 1305 HG1 THR A 81 -11.504 -7.003 -2.189 1.00 0.00 H ATOM 1306 HG23 THR A 81 -8.646 -9.170 -0.246 1.00 0.00 H ATOM 1307 HG21 THR A 81 -10.370 -9.562 -0.029 1.00 0.00 H ATOM 1308 HG22 THR A 81 -9.579 -9.865 -1.595 1.00 0.00 H ATOM 1309 H THR A 81 -11.397 -5.457 -1.065 1.00 0.00 H ATOM 1310 N LEU A 82 -7.921 -6.060 0.947 1.00 0.00 N ATOM 1311 CA LEU A 82 -6.681 -5.296 1.028 1.00 0.00 C ATOM 1312 C LEU A 82 -5.480 -6.209 1.254 1.00 0.00 C ATOM 1313 O LEU A 82 -5.364 -6.853 2.296 1.00 0.00 O ATOM 1314 CB LEU A 82 -6.768 -4.269 2.158 1.00 0.00 C ATOM 1315 CG LEU A 82 -7.206 -2.869 1.729 1.00 0.00 C ATOM 1316 CD1 LEU A 82 -7.500 -2.010 2.948 1.00 0.00 C ATOM 1317 CD2 LEU A 82 -6.139 -2.220 0.861 1.00 0.00 C ATOM 1318 HA LEU A 82 -6.544 -4.781 0.077 1.00 0.00 H ATOM 1319 HB2 LEU A 82 -7.483 -4.636 2.894 1.00 0.00 H ATOM 1320 HB3 LEU A 82 -5.783 -4.189 2.618 1.00 0.00 H ATOM 1321 HG LEU A 82 -8.119 -2.956 1.141 1.00 0.00 H ATOM 1322 HD21 LEU A 82 -5.210 -2.144 1.426 1.00 0.00 H ATOM 1323 HD22 LEU A 82 -5.976 -2.829 -0.028 1.00 0.00 H ATOM 1324 HD23 LEU A 82 -6.469 -1.224 0.566 1.00 0.00 H ATOM 1325 HD11 LEU A 82 -8.298 -2.470 3.531 1.00 0.00 H ATOM 1326 HD12 LEU A 82 -6.601 -1.930 3.560 1.00 0.00 H ATOM 1327 HD13 LEU A 82 -7.810 -1.017 2.624 1.00 0.00 H ATOM 1328 H LEU A 82 -8.168 -6.714 1.717 1.00 0.00 H ATOM 1329 N TRP A 83 -4.584 -6.255 0.272 1.00 0.00 N ATOM 1330 CA TRP A 83 -3.389 -7.082 0.372 1.00 0.00 C ATOM 1331 C TRP A 83 -2.152 -6.221 0.576 1.00 0.00 C ATOM 1332 O TRP A 83 -1.841 -5.354 -0.240 1.00 0.00 O ATOM 1333 CB TRP A 83 -3.217 -7.936 -0.886 1.00 0.00 C ATOM 1334 CG TRP A 83 -4.304 -8.946 -1.065 1.00 0.00 C ATOM 1335 CD1 TRP A 83 -5.623 -8.774 -0.780 1.00 0.00 C ATOM 1336 CD2 TRP A 83 -4.168 -10.281 -1.564 1.00 0.00 C ATOM 1337 NE1 TRP A 83 -6.322 -9.918 -1.072 1.00 0.00 N ATOM 1338 CE2 TRP A 83 -5.451 -10.859 -1.555 1.00 0.00 C ATOM 1339 CE3 TRP A 83 -3.088 -11.044 -2.018 1.00 0.00 C ATOM 1340 CZ2 TRP A 83 -5.683 -12.164 -1.982 1.00 0.00 C ATOM 1341 CZ3 TRP A 83 -3.319 -12.339 -2.442 1.00 0.00 C ATOM 1342 CH2 TRP A 83 -4.608 -12.888 -2.422 1.00 0.00 C ATOM 1343 HA TRP A 83 -3.509 -7.738 1.234 1.00 0.00 H ATOM 1344 HB2 TRP A 83 -3.210 -7.277 -1.754 1.00 0.00 H ATOM 1345 HB3 TRP A 83 -2.264 -8.460 -0.821 1.00 0.00 H ATOM 1346 HE1 TRP A 83 -7.346 -10.049 -0.947 1.00 0.00 H ATOM 1347 HD1 TRP A 83 -6.061 -7.860 -0.378 1.00 0.00 H ATOM 1348 HZ2 TRP A 83 -6.685 -12.593 -1.966 1.00 0.00 H ATOM 1349 HH2 TRP A 83 -4.758 -13.912 -2.764 1.00 0.00 H ATOM 1350 HZ3 TRP A 83 -2.485 -12.943 -2.798 1.00 0.00 H ATOM 1351 HE3 TRP A 83 -2.082 -10.625 -2.037 1.00 0.00 H ATOM 1352 H TRP A 83 -4.740 -5.688 -0.586 1.00 0.00 H ATOM 1353 N PHE A 84 -1.441 -6.479 1.664 1.00 0.00 N ATOM 1354 CA PHE A 84 -0.222 -5.736 1.970 1.00 0.00 C ATOM 1355 C PHE A 84 0.991 -6.481 1.417 1.00 0.00 C ATOM 1356 O PHE A 84 1.352 -7.551 1.907 1.00 0.00 O ATOM 1357 CB PHE A 84 -0.079 -5.519 3.484 1.00 0.00 C ATOM 1358 CG PHE A 84 -0.935 -4.400 4.027 1.00 0.00 C ATOM 1359 CD1 PHE A 84 -2.105 -4.026 3.382 1.00 0.00 C ATOM 1360 CD2 PHE A 84 -0.569 -3.721 5.185 1.00 0.00 C ATOM 1361 CE1 PHE A 84 -2.891 -3.003 3.876 1.00 0.00 C ATOM 1362 CE2 PHE A 84 -1.354 -2.697 5.681 1.00 0.00 C ATOM 1363 CZ PHE A 84 -2.515 -2.338 5.026 1.00 0.00 C ATOM 1364 HA PHE A 84 -0.282 -4.756 1.496 1.00 0.00 H ATOM 1365 HB2 PHE A 84 -0.359 -6.442 3.991 1.00 0.00 H ATOM 1366 HB3 PHE A 84 0.964 -5.289 3.701 1.00 0.00 H ATOM 1367 HD2 PHE A 84 0.347 -4.000 5.707 1.00 0.00 H ATOM 1368 HE2 PHE A 84 -1.056 -2.173 6.589 1.00 0.00 H ATOM 1369 HZ PHE A 84 -3.134 -1.530 5.416 1.00 0.00 H ATOM 1370 HE1 PHE A 84 -3.808 -2.721 3.358 1.00 0.00 H ATOM 1371 HD1 PHE A 84 -2.408 -4.546 2.473 1.00 0.00 H ATOM 1372 H PHE A 84 -1.758 -7.227 2.314 1.00 0.00 H ATOM 1373 N TRP A 85 1.601 -5.921 0.376 1.00 0.00 N ATOM 1374 CA TRP A 85 2.754 -6.547 -0.264 1.00 0.00 C ATOM 1375 C TRP A 85 4.073 -5.978 0.248 1.00 0.00 C ATOM 1376 O TRP A 85 4.156 -4.809 0.625 1.00 0.00 O ATOM 1377 CB TRP A 85 2.663 -6.397 -1.782 1.00 0.00 C ATOM 1378 CG TRP A 85 1.567 -7.224 -2.379 1.00 0.00 C ATOM 1379 CD1 TRP A 85 0.230 -7.113 -2.131 1.00 0.00 C ATOM 1380 CD2 TRP A 85 1.714 -8.298 -3.315 1.00 0.00 C ATOM 1381 NE1 TRP A 85 -0.464 -8.051 -2.855 1.00 0.00 N ATOM 1382 CE2 TRP A 85 0.424 -8.790 -3.591 1.00 0.00 C ATOM 1383 CE3 TRP A 85 2.810 -8.891 -3.948 1.00 0.00 C ATOM 1384 CZ2 TRP A 85 0.202 -9.846 -4.471 1.00 0.00 C ATOM 1385 CZ3 TRP A 85 2.588 -9.939 -4.821 1.00 0.00 C ATOM 1386 CH2 TRP A 85 1.293 -10.407 -5.076 1.00 0.00 C ATOM 1387 HA TRP A 85 2.736 -7.606 -0.006 1.00 0.00 H ATOM 1388 HB2 TRP A 85 2.478 -5.349 -2.019 1.00 0.00 H ATOM 1389 HB3 TRP A 85 3.612 -6.706 -2.221 1.00 0.00 H ATOM 1390 HE1 TRP A 85 -1.496 -8.179 -2.846 1.00 0.00 H ATOM 1391 HD1 TRP A 85 -0.222 -6.386 -1.456 1.00 0.00 H ATOM 1392 HZ2 TRP A 85 -0.805 -10.212 -4.671 1.00 0.00 H ATOM 1393 HH2 TRP A 85 1.152 -11.235 -5.771 1.00 0.00 H ATOM 1394 HZ3 TRP A 85 3.435 -10.409 -5.320 1.00 0.00 H ATOM 1395 HE3 TRP A 85 3.822 -8.533 -3.757 1.00 0.00 H ATOM 1396 H TRP A 85 1.248 -5.014 0.009 1.00 0.00 H ATOM 1397 N LEU A 86 5.100 -6.825 0.264 1.00 0.00 N ATOM 1398 CA LEU A 86 6.420 -6.428 0.737 1.00 0.00 C ATOM 1399 C LEU A 86 7.341 -6.050 -0.422 1.00 0.00 C ATOM 1400 O LEU A 86 7.361 -6.707 -1.459 1.00 0.00 O ATOM 1401 CB LEU A 86 7.047 -7.557 1.555 1.00 0.00 C ATOM 1402 CG LEU A 86 8.464 -7.282 2.062 1.00 0.00 C ATOM 1403 CD1 LEU A 86 8.422 -6.568 3.404 1.00 0.00 C ATOM 1404 CD2 LEU A 86 9.250 -8.580 2.172 1.00 0.00 C ATOM 1405 HA LEU A 86 6.297 -5.548 1.368 1.00 0.00 H ATOM 1406 HB2 LEU A 86 6.409 -7.743 2.419 1.00 0.00 H ATOM 1407 HB3 LEU A 86 7.079 -8.450 0.930 1.00 0.00 H ATOM 1408 HG LEU A 86 8.967 -6.634 1.345 1.00 0.00 H ATOM 1409 HD21 LEU A 86 8.747 -9.250 2.869 1.00 0.00 H ATOM 1410 HD22 LEU A 86 9.309 -9.052 1.191 1.00 0.00 H ATOM 1411 HD23 LEU A 86 10.255 -8.365 2.534 1.00 0.00 H ATOM 1412 HD11 LEU A 86 7.895 -5.620 3.293 1.00 0.00 H ATOM 1413 HD12 LEU A 86 7.901 -7.192 4.130 1.00 0.00 H ATOM 1414 HD13 LEU A 86 9.440 -6.382 3.747 1.00 0.00 H ATOM 1415 H LEU A 86 4.956 -7.799 -0.071 1.00 0.00 H ATOM 1416 N VAL A 87 8.095 -4.978 -0.224 1.00 0.00 N ATOM 1417 CA VAL A 87 9.037 -4.472 -1.221 1.00 0.00 C ATOM 1418 C VAL A 87 10.421 -4.382 -0.636 1.00 0.00 C ATOM 1419 O VAL A 87 10.568 -4.116 0.556 1.00 0.00 O ATOM 1420 CB VAL A 87 8.650 -3.088 -1.713 1.00 0.00 C ATOM 1421 CG1 VAL A 87 9.569 -2.635 -2.837 1.00 0.00 C ATOM 1422 CG2 VAL A 87 7.198 -3.090 -2.153 1.00 0.00 C ATOM 1423 HA VAL A 87 9.014 -5.171 -2.057 1.00 0.00 H ATOM 1424 HB VAL A 87 8.764 -2.376 -0.896 1.00 0.00 H ATOM 1425 HG11 VAL A 87 10.596 -2.604 -2.474 1.00 0.00 H ATOM 1426 HG12 VAL A 87 9.497 -3.336 -3.669 1.00 0.00 H ATOM 1427 HG13 VAL A 87 9.270 -1.641 -3.171 1.00 0.00 H ATOM 1428 HG21 VAL A 87 7.065 -3.811 -2.959 1.00 0.00 H ATOM 1429 HG22 VAL A 87 6.565 -3.365 -1.310 1.00 0.00 H ATOM 1430 HG23 VAL A 87 6.925 -2.095 -2.505 1.00 0.00 H ATOM 1431 H VAL A 87 8.013 -4.474 0.682 1.00 0.00 H ATOM 1432 N GLU A 88 11.439 -4.622 -1.446 1.00 0.00 N ATOM 1433 CA GLU A 88 12.790 -4.565 -0.918 1.00 0.00 C ATOM 1434 C GLU A 88 13.615 -3.376 -1.433 1.00 0.00 C ATOM 1435 O GLU A 88 14.545 -2.942 -0.754 1.00 0.00 O ATOM 1436 CB GLU A 88 13.525 -5.878 -1.200 1.00 0.00 C ATOM 1437 CG GLU A 88 14.972 -5.882 -0.733 1.00 0.00 C ATOM 1438 CD GLU A 88 15.098 -5.857 0.777 1.00 0.00 C ATOM 1439 OE1 GLU A 88 14.608 -6.803 1.430 1.00 0.00 O ATOM 1440 OE2 GLU A 88 15.686 -4.891 1.308 1.00 0.00 O ATOM 1441 HA GLU A 88 12.685 -4.416 0.157 1.00 0.00 H ATOM 1442 HB2 GLU A 88 12.997 -6.684 -0.691 1.00 0.00 H ATOM 1443 HB3 GLU A 88 13.510 -6.057 -2.275 1.00 0.00 H ATOM 1444 HG2 GLU A 88 15.458 -6.782 -1.109 1.00 0.00 H ATOM 1445 HG3 GLU A 88 15.473 -5.003 -1.140 1.00 0.00 H ATOM 1446 H GLU A 88 11.274 -4.848 -2.447 1.00 0.00 H ATOM 1447 N ARG A 89 13.308 -2.854 -2.618 1.00 0.00 N ATOM 1448 CA ARG A 89 14.078 -1.734 -3.155 1.00 0.00 C ATOM 1449 C ARG A 89 13.330 -1.029 -4.281 1.00 0.00 C ATOM 1450 O ARG A 89 12.382 -1.575 -4.842 1.00 0.00 O ATOM 1451 CB ARG A 89 15.445 -2.238 -3.643 1.00 0.00 C ATOM 1452 CG ARG A 89 16.096 -1.368 -4.711 1.00 0.00 C ATOM 1453 CD ARG A 89 17.422 -1.950 -5.176 1.00 0.00 C ATOM 1454 NE ARG A 89 18.530 -1.022 -4.967 1.00 0.00 N ATOM 1455 CZ ARG A 89 18.649 0.145 -5.596 1.00 0.00 C ATOM 1456 NH1 ARG A 89 17.730 0.530 -6.474 1.00 0.00 N ATOM 1457 NH2 ARG A 89 19.688 0.930 -5.347 1.00 0.00 N ATOM 1458 HA ARG A 89 14.226 -1.004 -2.359 1.00 0.00 H ATOM 1459 HB2 ARG A 89 16.117 -2.285 -2.786 1.00 0.00 H ATOM 1460 HB3 ARG A 89 15.312 -3.239 -4.054 1.00 0.00 H ATOM 1461 HG2 ARG A 89 15.423 -1.293 -5.565 1.00 0.00 H ATOM 1462 HG3 ARG A 89 16.271 -0.374 -4.300 1.00 0.00 H ATOM 1463 HD2 ARG A 89 17.352 -2.181 -6.239 1.00 0.00 H ATOM 1464 HD3 ARG A 89 17.620 -2.866 -4.619 1.00 0.00 H ATOM 1465 HE ARG A 89 19.270 -1.289 -4.286 1.00 0.00 H ATOM 1466 HH12 ARG A 89 17.828 1.443 -6.963 1.00 0.00 H ATOM 1467 HH11 ARG A 89 16.912 -0.081 -6.673 1.00 0.00 H ATOM 1468 HH22 ARG A 89 19.781 1.842 -5.839 1.00 0.00 H ATOM 1469 HH21 ARG A 89 20.410 0.634 -4.660 1.00 0.00 H ATOM 1470 H ARG A 89 12.515 -3.246 -3.165 1.00 0.00 H ATOM 1471 N TRP A 90 13.780 0.178 -4.623 1.00 0.00 N ATOM 1472 CA TRP A 90 13.166 0.940 -5.702 1.00 0.00 C ATOM 1473 C TRP A 90 14.133 1.975 -6.273 1.00 0.00 C ATOM 1474 O TRP A 90 14.659 2.817 -5.545 1.00 0.00 O ATOM 1475 CB TRP A 90 11.854 1.585 -5.227 1.00 0.00 C ATOM 1476 CG TRP A 90 11.988 2.964 -4.657 1.00 0.00 C ATOM 1477 CD1 TRP A 90 12.293 4.108 -5.336 1.00 0.00 C ATOM 1478 CD2 TRP A 90 11.788 3.344 -3.294 1.00 0.00 C ATOM 1479 NE1 TRP A 90 12.299 5.178 -4.475 1.00 0.00 N ATOM 1480 CE2 TRP A 90 11.990 4.734 -3.216 1.00 0.00 C ATOM 1481 CE3 TRP A 90 11.457 2.643 -2.131 1.00 0.00 C ATOM 1482 CZ2 TRP A 90 11.870 5.437 -2.022 1.00 0.00 C ATOM 1483 CZ3 TRP A 90 11.339 3.343 -0.945 1.00 0.00 C ATOM 1484 CH2 TRP A 90 11.544 4.728 -0.899 1.00 0.00 C ATOM 1485 HA TRP A 90 12.925 0.252 -6.512 1.00 0.00 H ATOM 1486 HB2 TRP A 90 11.176 1.637 -6.079 1.00 0.00 H ATOM 1487 HB3 TRP A 90 11.422 0.943 -4.459 1.00 0.00 H ATOM 1488 HE1 TRP A 90 12.504 6.164 -4.736 1.00 0.00 H ATOM 1489 HD1 TRP A 90 12.501 4.164 -6.404 1.00 0.00 H ATOM 1490 HZ2 TRP A 90 12.030 6.514 -1.983 1.00 0.00 H ATOM 1491 HH2 TRP A 90 11.442 5.251 0.052 1.00 0.00 H ATOM 1492 HZ3 TRP A 90 11.082 2.809 -0.030 1.00 0.00 H ATOM 1493 HE3 TRP A 90 11.295 1.565 -2.159 1.00 0.00 H ATOM 1494 H TRP A 90 14.587 0.585 -4.108 1.00 0.00 H ATOM 1495 N GLU A 91 14.372 1.898 -7.584 1.00 0.00 N ATOM 1496 CA GLU A 91 15.283 2.822 -8.249 1.00 0.00 C ATOM 1497 C GLU A 91 14.655 4.204 -8.395 1.00 0.00 C ATOM 1498 O GLU A 91 13.442 4.332 -8.562 1.00 0.00 O ATOM 1499 CB GLU A 91 15.675 2.281 -9.626 1.00 0.00 C ATOM 1500 CG GLU A 91 16.836 1.301 -9.586 1.00 0.00 C ATOM 1501 CD GLU A 91 17.450 1.069 -10.953 1.00 0.00 C ATOM 1502 OE1 GLU A 91 16.686 0.932 -11.931 1.00 0.00 O ATOM 1503 OE2 GLU A 91 18.695 1.025 -11.045 1.00 0.00 O ATOM 1504 HA GLU A 91 16.176 2.915 -7.632 1.00 0.00 H ATOM 1505 HB2 GLU A 91 14.811 1.775 -10.057 1.00 0.00 H ATOM 1506 HB3 GLU A 91 15.955 3.122 -10.260 1.00 0.00 H ATOM 1507 HG2 GLU A 91 17.604 1.696 -8.920 1.00 0.00 H ATOM 1508 HG3 GLU A 91 16.476 0.348 -9.198 1.00 0.00 H ATOM 1509 H GLU A 91 13.897 1.162 -8.144 1.00 0.00 H ATOM 1510 N GLY A 92 15.491 5.236 -8.331 1.00 0.00 N ATOM 1511 CA GLY A 92 15.003 6.598 -8.459 1.00 0.00 C ATOM 1512 C GLY A 92 13.918 6.925 -7.451 1.00 0.00 C ATOM 1513 O GLY A 92 14.094 6.716 -6.250 1.00 0.00 O ATOM 1514 HA3 GLY A 92 14.600 6.732 -9.463 1.00 0.00 H ATOM 1515 HA2 GLY A 92 15.837 7.284 -8.310 1.00 0.00 H ATOM 1516 H GLY A 92 16.507 5.066 -8.188 1.00 0.00 H ATOM 1517 N GLU A 93 12.795 7.437 -7.941 1.00 0.00 N ATOM 1518 CA GLU A 93 11.676 7.792 -7.076 1.00 0.00 C ATOM 1519 C GLU A 93 10.396 7.098 -7.536 1.00 0.00 C ATOM 1520 O GLU A 93 10.187 6.901 -8.733 1.00 0.00 O ATOM 1521 CB GLU A 93 11.473 9.308 -7.065 1.00 0.00 C ATOM 1522 CG GLU A 93 12.763 10.094 -6.901 1.00 0.00 C ATOM 1523 CD GLU A 93 12.585 11.574 -7.181 1.00 0.00 C ATOM 1524 OE1 GLU A 93 11.973 12.267 -6.341 1.00 0.00 O ATOM 1525 OE2 GLU A 93 13.056 12.039 -8.240 1.00 0.00 O ATOM 1526 HA GLU A 93 11.908 7.458 -6.065 1.00 0.00 H ATOM 1527 HB2 GLU A 93 11.008 9.600 -8.007 1.00 0.00 H ATOM 1528 HB3 GLU A 93 10.808 9.561 -6.239 1.00 0.00 H ATOM 1529 HG2 GLU A 93 13.118 9.972 -5.878 1.00 0.00 H ATOM 1530 HG3 GLU A 93 13.505 9.695 -7.592 1.00 0.00 H ATOM 1531 H GLU A 93 12.712 7.588 -8.967 1.00 0.00 H ATOM 1532 N PRO A 94 9.512 6.725 -6.593 1.00 0.00 N ATOM 1533 CA PRO A 94 8.250 6.063 -6.909 1.00 0.00 C ATOM 1534 C PRO A 94 7.225 7.047 -7.444 1.00 0.00 C ATOM 1535 O PRO A 94 6.974 8.085 -6.830 1.00 0.00 O ATOM 1536 CB PRO A 94 7.786 5.482 -5.560 1.00 0.00 C ATOM 1537 CG PRO A 94 8.890 5.764 -4.591 1.00 0.00 C ATOM 1538 CD PRO A 94 9.652 6.928 -5.151 1.00 0.00 C ATOM 1539 HA PRO A 94 8.367 5.305 -7.683 1.00 0.00 H ATOM 1540 HD3 PRO A 94 9.211 7.875 -4.840 1.00 0.00 H ATOM 1541 HD2 PRO A 94 10.698 6.899 -4.847 1.00 0.00 H ATOM 1542 HG3 PRO A 94 9.542 4.895 -4.497 1.00 0.00 H ATOM 1543 HG2 PRO A 94 8.480 6.016 -3.613 1.00 0.00 H ATOM 1544 HB2 PRO A 94 6.864 5.965 -5.236 1.00 0.00 H ATOM 1545 HB3 PRO A 94 7.622 4.408 -5.646 1.00 0.00 H ATOM 1546 N TRP A 95 6.628 6.727 -8.584 1.00 0.00 N ATOM 1547 CA TRP A 95 5.632 7.607 -9.170 1.00 0.00 C ATOM 1548 C TRP A 95 4.389 6.844 -9.593 1.00 0.00 C ATOM 1549 O TRP A 95 3.282 7.140 -9.142 1.00 0.00 O ATOM 1550 CB TRP A 95 6.205 8.371 -10.368 1.00 0.00 C ATOM 1551 CG TRP A 95 6.893 7.521 -11.406 1.00 0.00 C ATOM 1552 CD1 TRP A 95 8.220 7.212 -11.456 1.00 0.00 C ATOM 1553 CD2 TRP A 95 6.297 6.896 -12.554 1.00 0.00 C ATOM 1554 NE1 TRP A 95 8.493 6.455 -12.574 1.00 0.00 N ATOM 1555 CE2 TRP A 95 7.329 6.249 -13.263 1.00 0.00 C ATOM 1556 CE3 TRP A 95 4.993 6.823 -13.054 1.00 0.00 C ATOM 1557 CZ2 TRP A 95 7.098 5.550 -14.445 1.00 0.00 C ATOM 1558 CZ3 TRP A 95 4.765 6.123 -14.224 1.00 0.00 C ATOM 1559 CH2 TRP A 95 5.813 5.499 -14.911 1.00 0.00 C ATOM 1560 HA TRP A 95 5.349 8.323 -8.398 1.00 0.00 H ATOM 1561 HB2 TRP A 95 5.385 8.899 -10.855 1.00 0.00 H ATOM 1562 HB3 TRP A 95 6.928 9.094 -9.992 1.00 0.00 H ATOM 1563 HE1 TRP A 95 9.430 6.098 -12.849 1.00 0.00 H ATOM 1564 HD1 TRP A 95 8.959 7.520 -10.717 1.00 0.00 H ATOM 1565 HZ2 TRP A 95 7.912 5.061 -14.980 1.00 0.00 H ATOM 1566 HH2 TRP A 95 5.601 4.962 -15.835 1.00 0.00 H ATOM 1567 HZ3 TRP A 95 3.751 6.056 -14.619 1.00 0.00 H ATOM 1568 HE3 TRP A 95 4.170 7.310 -12.530 1.00 0.00 H ATOM 1569 H TRP A 95 6.875 5.838 -9.063 1.00 0.00 H ATOM 1570 N GLY A 96 4.577 5.866 -10.467 1.00 0.00 N ATOM 1571 CA GLY A 96 3.459 5.073 -10.951 1.00 0.00 C ATOM 1572 C GLY A 96 2.246 5.916 -11.308 1.00 0.00 C ATOM 1573 O GLY A 96 2.164 6.469 -12.404 1.00 0.00 O ATOM 1574 HA3 GLY A 96 3.173 4.364 -10.174 1.00 0.00 H ATOM 1575 HA2 GLY A 96 3.778 4.528 -11.840 1.00 0.00 H ATOM 1576 H GLY A 96 5.537 5.663 -10.811 1.00 0.00 H ATOM 1577 N LYS A 97 1.302 6.009 -10.374 1.00 0.00 N ATOM 1578 CA LYS A 97 0.083 6.784 -10.585 1.00 0.00 C ATOM 1579 C LYS A 97 -0.828 6.724 -9.360 1.00 0.00 C ATOM 1580 O LYS A 97 -2.051 6.772 -9.484 1.00 0.00 O ATOM 1581 CB LYS A 97 -0.673 6.269 -11.813 1.00 0.00 C ATOM 1582 CG LYS A 97 -1.685 7.261 -12.364 1.00 0.00 C ATOM 1583 CD LYS A 97 -3.113 6.826 -12.071 1.00 0.00 C ATOM 1584 CE LYS A 97 -3.953 7.981 -11.549 1.00 0.00 C ATOM 1585 NZ LYS A 97 -4.616 8.730 -12.652 1.00 0.00 N ATOM 1586 HA LYS A 97 0.375 7.821 -10.750 1.00 0.00 H ATOM 1587 HB2 LYS A 97 0.052 6.045 -12.596 1.00 0.00 H ATOM 1588 HB3 LYS A 97 -1.200 5.356 -11.536 1.00 0.00 H ATOM 1589 HG2 LYS A 97 -1.511 8.235 -11.907 1.00 0.00 H ATOM 1590 HG3 LYS A 97 -1.553 7.339 -13.443 1.00 0.00 H ATOM 1591 HD2 LYS A 97 -3.563 6.447 -12.988 1.00 0.00 H ATOM 1592 HD3 LYS A 97 -3.095 6.034 -11.322 1.00 0.00 H ATOM 1593 HE2 LYS A 97 -3.308 8.664 -10.997 1.00 0.00 H ATOM 1594 HE3 LYS A 97 -4.719 7.586 -10.881 1.00 0.00 H ATOM 1595 HZ1 LYS A 97 -3.892 9.116 -13.291 1.00 0.00 H ATOM 1596 HZ2 LYS A 97 -5.239 8.087 -13.181 1.00 0.00 H ATOM 1597 HZ3 LYS A 97 -5.178 9.508 -12.252 1.00 0.00 H ATOM 1598 H LYS A 97 1.437 5.516 -9.468 1.00 0.00 H ATOM 1599 N GLU A 98 -0.227 6.621 -8.177 1.00 0.00 N ATOM 1600 CA GLU A 98 -0.993 6.559 -6.936 1.00 0.00 C ATOM 1601 C GLU A 98 -1.813 7.834 -6.750 1.00 0.00 C ATOM 1602 O GLU A 98 -2.973 7.783 -6.340 1.00 0.00 O ATOM 1603 CB GLU A 98 -0.058 6.341 -5.742 1.00 0.00 C ATOM 1604 CG GLU A 98 1.218 7.166 -5.803 1.00 0.00 C ATOM 1605 CD GLU A 98 1.453 7.969 -4.540 1.00 0.00 C ATOM 1606 OE1 GLU A 98 0.458 8.354 -3.892 1.00 0.00 O ATOM 1607 OE2 GLU A 98 2.630 8.212 -4.200 1.00 0.00 O ATOM 1608 HA GLU A 98 -1.680 5.715 -6.994 1.00 0.00 H ATOM 1609 HB2 GLU A 98 -0.596 6.606 -4.831 1.00 0.00 H ATOM 1610 HB3 GLU A 98 0.216 5.286 -5.707 1.00 0.00 H ATOM 1611 HG2 GLU A 98 2.063 6.493 -5.951 1.00 0.00 H ATOM 1612 HG3 GLU A 98 1.150 7.853 -6.646 1.00 0.00 H ATOM 1613 H GLU A 98 0.812 6.584 -8.136 1.00 0.00 H ATOM 1614 N GLY A 99 -1.209 8.975 -7.074 1.00 0.00 N ATOM 1615 CA GLY A 99 -1.905 10.246 -6.959 1.00 0.00 C ATOM 1616 C GLY A 99 -1.747 10.911 -5.602 1.00 0.00 C ATOM 1617 O GLY A 99 -2.473 11.853 -5.285 1.00 0.00 O ATOM 1618 HA3 GLY A 99 -2.967 10.074 -7.136 1.00 0.00 H ATOM 1619 HA2 GLY A 99 -1.516 10.922 -7.721 1.00 0.00 H ATOM 1620 H GLY A 99 -0.226 8.957 -7.414 1.00 0.00 H ATOM 1621 N GLN A 100 -0.803 10.432 -4.797 1.00 0.00 N ATOM 1622 CA GLN A 100 -0.577 11.009 -3.475 1.00 0.00 C ATOM 1623 C GLN A 100 0.910 11.092 -3.148 1.00 0.00 C ATOM 1624 O GLN A 100 1.495 10.154 -2.609 1.00 0.00 O ATOM 1625 CB GLN A 100 -1.311 10.197 -2.406 1.00 0.00 C ATOM 1626 CG GLN A 100 -2.820 10.380 -2.433 1.00 0.00 C ATOM 1627 CD GLN A 100 -3.556 9.109 -2.810 1.00 0.00 C ATOM 1628 OE1 GLN A 100 -3.236 8.025 -2.322 1.00 0.00 O ATOM 1629 NE2 GLN A 100 -4.549 9.236 -3.682 1.00 0.00 N ATOM 1630 HA GLN A 100 -0.974 12.024 -3.484 1.00 0.00 H ATOM 1631 HB2 GLN A 100 -1.089 9.141 -2.561 1.00 0.00 H ATOM 1632 HB3 GLN A 100 -0.944 10.504 -1.427 1.00 0.00 H ATOM 1633 HG2 GLN A 100 -3.151 10.695 -1.443 1.00 0.00 H ATOM 1634 HG3 GLN A 100 -3.065 11.154 -3.160 1.00 0.00 H ATOM 1635 HE22 GLN A 100 -4.785 10.172 -4.069 1.00 0.00 H ATOM 1636 HE21 GLN A 100 -5.091 8.399 -3.978 1.00 0.00 H ATOM 1637 H GLN A 100 -0.217 9.634 -5.114 1.00 0.00 H ATOM 1638 N PRO A 101 1.537 12.236 -3.466 1.00 0.00 N ATOM 1639 CA PRO A 101 2.961 12.465 -3.204 1.00 0.00 C ATOM 1640 C PRO A 101 3.389 11.988 -1.818 1.00 0.00 C ATOM 1641 O PRO A 101 2.727 12.274 -0.820 1.00 0.00 O ATOM 1642 CB PRO A 101 3.063 13.983 -3.298 1.00 0.00 C ATOM 1643 CG PRO A 101 2.054 14.351 -4.324 1.00 0.00 C ATOM 1644 CD PRO A 101 0.904 13.408 -4.109 1.00 0.00 C ATOM 1645 HA PRO A 101 3.606 11.920 -3.893 1.00 0.00 H ATOM 1646 HD3 PRO A 101 0.152 13.852 -3.457 1.00 0.00 H ATOM 1647 HD2 PRO A 101 0.443 13.131 -5.057 1.00 0.00 H ATOM 1648 HG3 PRO A 101 2.466 14.228 -5.326 1.00 0.00 H ATOM 1649 HG2 PRO A 101 1.731 15.383 -4.189 1.00 0.00 H ATOM 1650 HB2 PRO A 101 2.828 14.447 -2.340 1.00 0.00 H ATOM 1651 HB3 PRO A 101 4.062 14.285 -3.612 1.00 0.00 H ATOM 1652 N GLY A 102 4.499 11.258 -1.765 1.00 0.00 N ATOM 1653 CA GLY A 102 4.996 10.751 -0.497 1.00 0.00 C ATOM 1654 C GLY A 102 6.490 10.958 -0.324 1.00 0.00 C ATOM 1655 O GLY A 102 7.165 11.456 -1.226 1.00 0.00 O ATOM 1656 HA3 GLY A 102 4.784 9.683 -0.441 1.00 0.00 H ATOM 1657 HA2 GLY A 102 4.477 11.266 0.311 1.00 0.00 H ATOM 1658 H GLY A 102 5.018 11.047 -2.641 1.00 0.00 H ATOM 1659 N GLU A 103 7.006 10.572 0.840 1.00 0.00 N ATOM 1660 CA GLU A 103 8.429 10.710 1.139 1.00 0.00 C ATOM 1661 C GLU A 103 8.974 9.428 1.764 1.00 0.00 C ATOM 1662 O GLU A 103 8.220 8.635 2.327 1.00 0.00 O ATOM 1663 CB GLU A 103 8.661 11.891 2.084 1.00 0.00 C ATOM 1664 CG GLU A 103 8.003 11.723 3.443 1.00 0.00 C ATOM 1665 CD GLU A 103 6.583 12.252 3.473 1.00 0.00 C ATOM 1666 OE1 GLU A 103 6.293 13.216 2.734 1.00 0.00 O ATOM 1667 OE2 GLU A 103 5.760 11.702 4.236 1.00 0.00 O ATOM 1668 HA GLU A 103 8.958 10.895 0.204 1.00 0.00 H ATOM 1669 HB2 GLU A 103 9.734 12.007 2.233 1.00 0.00 H ATOM 1670 HB3 GLU A 103 8.261 12.790 1.616 1.00 0.00 H ATOM 1671 HG2 GLU A 103 7.986 10.662 3.694 1.00 0.00 H ATOM 1672 HG3 GLU A 103 8.592 12.262 4.185 1.00 0.00 H ATOM 1673 H GLU A 103 6.377 10.160 1.559 1.00 0.00 H ATOM 1674 N TRP A 104 10.286 9.225 1.661 1.00 0.00 N ATOM 1675 CA TRP A 104 10.912 8.029 2.221 1.00 0.00 C ATOM 1676 C TRP A 104 10.898 8.088 3.746 1.00 0.00 C ATOM 1677 O TRP A 104 11.647 8.852 4.355 1.00 0.00 O ATOM 1678 CB TRP A 104 12.358 7.876 1.716 1.00 0.00 C ATOM 1679 CG TRP A 104 12.585 8.429 0.339 1.00 0.00 C ATOM 1680 CD1 TRP A 104 11.670 8.520 -0.671 1.00 0.00 C ATOM 1681 CD2 TRP A 104 13.808 8.966 -0.178 1.00 0.00 C ATOM 1682 NE1 TRP A 104 12.250 9.081 -1.784 1.00 0.00 N ATOM 1683 CE2 TRP A 104 13.562 9.363 -1.506 1.00 0.00 C ATOM 1684 CE3 TRP A 104 15.088 9.150 0.354 1.00 0.00 C ATOM 1685 CZ2 TRP A 104 14.547 9.933 -2.308 1.00 0.00 C ATOM 1686 CZ3 TRP A 104 16.065 9.715 -0.443 1.00 0.00 C ATOM 1687 CH2 TRP A 104 15.790 10.101 -1.761 1.00 0.00 C ATOM 1688 HA TRP A 104 10.338 7.163 1.892 1.00 0.00 H ATOM 1689 HB2 TRP A 104 13.020 8.396 2.408 1.00 0.00 H ATOM 1690 HB3 TRP A 104 12.607 6.815 1.705 1.00 0.00 H ATOM 1691 HE1 TRP A 104 11.771 9.262 -2.689 1.00 0.00 H ATOM 1692 HD1 TRP A 104 10.632 8.195 -0.604 1.00 0.00 H ATOM 1693 HZ2 TRP A 104 14.336 10.234 -3.334 1.00 0.00 H ATOM 1694 HH2 TRP A 104 16.583 10.544 -2.364 1.00 0.00 H ATOM 1695 HZ3 TRP A 104 17.067 9.863 -0.039 1.00 0.00 H ATOM 1696 HE3 TRP A 104 15.311 8.853 1.379 1.00 0.00 H ATOM 1697 H TRP A 104 10.875 9.930 1.174 1.00 0.00 H ATOM 1698 N MET A 105 10.039 7.276 4.358 1.00 0.00 N ATOM 1699 CA MET A 105 9.924 7.237 5.813 1.00 0.00 C ATOM 1700 C MET A 105 10.239 5.847 6.353 1.00 0.00 C ATOM 1701 O MET A 105 9.959 4.842 5.704 1.00 0.00 O ATOM 1702 CB MET A 105 8.519 7.658 6.246 1.00 0.00 C ATOM 1703 CG MET A 105 7.425 6.724 5.755 1.00 0.00 C ATOM 1704 SD MET A 105 5.980 6.719 6.834 1.00 0.00 S ATOM 1705 CE MET A 105 5.770 8.473 7.128 1.00 0.00 C ATOM 1706 HA MET A 105 10.651 7.937 6.225 1.00 0.00 H ATOM 1707 HB2 MET A 105 8.487 7.684 7.335 1.00 0.00 H ATOM 1708 HB3 MET A 105 8.322 8.656 5.854 1.00 0.00 H ATOM 1709 HG2 MET A 105 7.827 5.712 5.704 1.00 0.00 H ATOM 1710 HG3 MET A 105 7.116 7.041 4.759 1.00 0.00 H ATOM 1711 HE1 MET A 105 6.667 8.871 7.602 1.00 0.00 H ATOM 1712 HE2 MET A 105 5.604 8.982 6.179 1.00 0.00 H ATOM 1713 HE3 MET A 105 4.912 8.630 7.781 1.00 0.00 H ATOM 1714 H MET A 105 9.434 6.653 3.785 1.00 0.00 H ATOM 1715 N SER A 106 10.816 5.796 7.549 1.00 0.00 N ATOM 1716 CA SER A 106 11.158 4.524 8.173 1.00 0.00 C ATOM 1717 C SER A 106 9.898 3.738 8.523 1.00 0.00 C ATOM 1718 O SER A 106 9.106 4.161 9.365 1.00 0.00 O ATOM 1719 CB SER A 106 11.993 4.759 9.434 1.00 0.00 C ATOM 1720 OG SER A 106 12.069 3.583 10.222 1.00 0.00 O ATOM 1721 HA SER A 106 11.744 3.942 7.461 1.00 0.00 H ATOM 1722 HB2 SER A 106 11.534 5.553 10.023 1.00 0.00 H ATOM 1723 HB3 SER A 106 13.000 5.059 9.144 1.00 0.00 H ATOM 1724 HG SER A 106 11.157 3.309 10.492 1.00 0.00 H ATOM 1725 H SER A 106 11.028 6.682 8.050 1.00 0.00 H ATOM 1726 N LEU A 107 9.717 2.593 7.871 1.00 0.00 N ATOM 1727 CA LEU A 107 8.550 1.753 8.117 1.00 0.00 C ATOM 1728 C LEU A 107 8.636 1.090 9.486 1.00 0.00 C ATOM 1729 O LEU A 107 7.616 0.799 10.110 1.00 0.00 O ATOM 1730 CB LEU A 107 8.419 0.686 7.030 1.00 0.00 C ATOM 1731 CG LEU A 107 6.986 0.237 6.736 1.00 0.00 C ATOM 1732 CD1 LEU A 107 6.371 -0.417 7.963 1.00 0.00 C ATOM 1733 CD2 LEU A 107 6.142 1.418 6.280 1.00 0.00 C ATOM 1734 HA LEU A 107 7.667 2.392 8.095 1.00 0.00 H ATOM 1735 HB2 LEU A 107 8.844 1.086 6.110 1.00 0.00 H ATOM 1736 HB3 LEU A 107 8.990 -0.188 7.343 1.00 0.00 H ATOM 1737 HG LEU A 107 7.012 -0.498 5.932 1.00 0.00 H ATOM 1738 HD21 LEU A 107 6.123 2.174 7.065 1.00 0.00 H ATOM 1739 HD22 LEU A 107 6.574 1.843 5.374 1.00 0.00 H ATOM 1740 HD23 LEU A 107 5.126 1.080 6.076 1.00 0.00 H ATOM 1741 HD11 LEU A 107 6.964 -1.287 8.246 1.00 0.00 H ATOM 1742 HD12 LEU A 107 6.357 0.298 8.786 1.00 0.00 H ATOM 1743 HD13 LEU A 107 5.352 -0.730 7.734 1.00 0.00 H ATOM 1744 H LEU A 107 10.423 2.290 7.170 1.00 0.00 H ATOM 1745 N VAL A 108 9.860 0.858 9.952 1.00 0.00 N ATOM 1746 CA VAL A 108 10.077 0.233 11.252 1.00 0.00 C ATOM 1747 C VAL A 108 9.323 0.977 12.351 1.00 0.00 C ATOM 1748 O VAL A 108 9.004 0.406 13.394 1.00 0.00 O ATOM 1749 CB VAL A 108 11.574 0.191 11.612 1.00 0.00 C ATOM 1750 CG1 VAL A 108 11.799 -0.637 12.868 1.00 0.00 C ATOM 1751 CG2 VAL A 108 12.387 -0.358 10.450 1.00 0.00 C ATOM 1752 HA VAL A 108 9.699 -0.787 11.180 1.00 0.00 H ATOM 1753 HB VAL A 108 11.909 1.209 11.811 1.00 0.00 H ATOM 1754 HG11 VAL A 108 11.248 -0.194 13.697 1.00 0.00 H ATOM 1755 HG12 VAL A 108 11.447 -1.655 12.699 1.00 0.00 H ATOM 1756 HG13 VAL A 108 12.863 -0.654 13.105 1.00 0.00 H ATOM 1757 HG21 VAL A 108 12.050 -1.368 10.218 1.00 0.00 H ATOM 1758 HG22 VAL A 108 12.250 0.282 9.578 1.00 0.00 H ATOM 1759 HG23 VAL A 108 13.442 -0.380 10.724 1.00 0.00 H ATOM 1760 H VAL A 108 10.682 1.129 9.376 1.00 0.00 H ATOM 1761 N GLY A 109 9.037 2.253 12.107 1.00 0.00 N ATOM 1762 CA GLY A 109 8.321 3.053 13.080 1.00 0.00 C ATOM 1763 C GLY A 109 7.053 3.658 12.510 1.00 0.00 C ATOM 1764 O GLY A 109 6.744 4.822 12.765 1.00 0.00 O ATOM 1765 HA3 GLY A 109 8.972 3.859 13.418 1.00 0.00 H ATOM 1766 HA2 GLY A 109 8.057 2.421 13.928 1.00 0.00 H ATOM 1767 H GLY A 109 9.331 2.682 11.206 1.00 0.00 H ATOM 1768 N LEU A 110 6.314 2.864 11.741 1.00 0.00 N ATOM 1769 CA LEU A 110 5.068 3.328 11.139 1.00 0.00 C ATOM 1770 C LEU A 110 4.062 3.692 12.225 1.00 0.00 C ATOM 1771 O LEU A 110 4.093 3.129 13.319 1.00 0.00 O ATOM 1772 CB LEU A 110 4.489 2.251 10.220 1.00 0.00 C ATOM 1773 CG LEU A 110 3.267 2.682 9.408 1.00 0.00 C ATOM 1774 CD1 LEU A 110 3.187 1.897 8.108 1.00 0.00 C ATOM 1775 CD2 LEU A 110 1.997 2.500 10.226 1.00 0.00 C ATOM 1776 HA LEU A 110 5.278 4.217 10.544 1.00 0.00 H ATOM 1777 HB2 LEU A 110 5.269 1.947 9.522 1.00 0.00 H ATOM 1778 HB3 LEU A 110 4.202 1.399 10.836 1.00 0.00 H ATOM 1779 HG LEU A 110 3.369 3.739 9.162 1.00 0.00 H ATOM 1780 HD21 LEU A 110 1.890 1.450 10.500 1.00 0.00 H ATOM 1781 HD22 LEU A 110 2.057 3.108 11.129 1.00 0.00 H ATOM 1782 HD23 LEU A 110 1.137 2.811 9.633 1.00 0.00 H ATOM 1783 HD11 LEU A 110 4.086 2.079 7.519 1.00 0.00 H ATOM 1784 HD12 LEU A 110 3.107 0.833 8.332 1.00 0.00 H ATOM 1785 HD13 LEU A 110 2.311 2.218 7.544 1.00 0.00 H ATOM 1786 H LEU A 110 6.631 1.889 11.564 1.00 0.00 H ATOM 1787 N ASN A 111 3.184 4.648 11.933 1.00 0.00 N ATOM 1788 CA ASN A 111 2.197 5.086 12.913 1.00 0.00 C ATOM 1789 C ASN A 111 0.768 4.800 12.474 1.00 0.00 C ATOM 1790 O ASN A 111 0.345 5.186 11.384 1.00 0.00 O ATOM 1791 CB ASN A 111 2.368 6.578 13.201 1.00 0.00 C ATOM 1792 CG ASN A 111 2.779 6.848 14.635 1.00 0.00 C ATOM 1793 OD1 ASN A 111 2.183 6.319 15.574 1.00 0.00 O ATOM 1794 ND2 ASN A 111 3.802 7.675 14.812 1.00 0.00 N ATOM 1795 HA ASN A 111 2.374 4.512 13.822 1.00 0.00 H ATOM 1796 HB2 ASN A 111 3.134 6.977 12.536 1.00 0.00 H ATOM 1797 HB3 ASN A 111 1.422 7.083 13.007 1.00 0.00 H ATOM 1798 HD22 ASN A 111 4.276 8.099 13.989 1.00 0.00 H ATOM 1799 HD21 ASN A 111 4.129 7.899 15.773 1.00 0.00 H ATOM 1800 H ASN A 111 3.202 5.090 10.992 1.00 0.00 H ATOM 1801 N ALA A 112 0.025 4.138 13.356 1.00 0.00 N ATOM 1802 CA ALA A 112 -1.369 3.811 13.100 1.00 0.00 C ATOM 1803 C ALA A 112 -2.239 5.069 13.181 1.00 0.00 C ATOM 1804 O ALA A 112 -3.394 5.067 12.754 1.00 0.00 O ATOM 1805 CB ALA A 112 -1.863 2.759 14.086 1.00 0.00 C ATOM 1806 HA ALA A 112 -1.445 3.402 12.093 1.00 0.00 H ATOM 1807 HB1 ALA A 112 -1.263 1.855 13.982 1.00 0.00 H ATOM 1808 HB2 ALA A 112 -1.771 3.143 15.102 1.00 0.00 H ATOM 1809 HB3 ALA A 112 -2.908 2.529 13.877 1.00 0.00 H ATOM 1810 H ALA A 112 0.454 3.845 14.257 1.00 0.00 H ATOM 1811 N ASP A 113 -1.683 6.138 13.754 1.00 0.00 N ATOM 1812 CA ASP A 113 -2.411 7.395 13.904 1.00 0.00 C ATOM 1813 C ASP A 113 -2.451 8.188 12.595 1.00 0.00 C ATOM 1814 O ASP A 113 -3.513 8.644 12.174 1.00 0.00 O ATOM 1815 CB ASP A 113 -1.772 8.244 15.004 1.00 0.00 C ATOM 1816 CG ASP A 113 -2.632 9.432 15.390 1.00 0.00 C ATOM 1817 OD1 ASP A 113 -2.561 10.468 14.696 1.00 0.00 O ATOM 1818 OD2 ASP A 113 -3.377 9.326 16.387 1.00 0.00 O ATOM 1819 HA ASP A 113 -3.437 7.150 14.179 1.00 0.00 H ATOM 1820 HB2 ASP A 113 -1.621 7.620 15.885 1.00 0.00 H ATOM 1821 HB3 ASP A 113 -0.808 8.610 14.649 1.00 0.00 H ATOM 1822 H ASP A 113 -0.705 6.074 14.103 1.00 0.00 H ATOM 1823 N ASP A 114 -1.293 8.358 11.959 1.00 0.00 N ATOM 1824 CA ASP A 114 -1.217 9.108 10.704 1.00 0.00 C ATOM 1825 C ASP A 114 -1.948 8.374 9.587 1.00 0.00 C ATOM 1826 O ASP A 114 -2.617 8.990 8.759 1.00 0.00 O ATOM 1827 CB ASP A 114 0.239 9.373 10.282 1.00 0.00 C ATOM 1828 CG ASP A 114 1.270 8.721 11.186 1.00 0.00 C ATOM 1829 OD1 ASP A 114 1.460 9.212 12.319 1.00 0.00 O ATOM 1830 OD2 ASP A 114 1.886 7.722 10.759 1.00 0.00 O ATOM 1831 HA ASP A 114 -1.701 10.069 10.880 1.00 0.00 H ATOM 1832 HB2 ASP A 114 0.378 8.991 9.271 1.00 0.00 H ATOM 1833 HB3 ASP A 114 0.408 10.450 10.289 1.00 0.00 H ATOM 1834 H ASP A 114 -0.426 7.950 12.362 1.00 0.00 H ATOM 1835 N PHE A 115 -1.819 7.054 9.574 1.00 0.00 N ATOM 1836 CA PHE A 115 -2.470 6.232 8.564 1.00 0.00 C ATOM 1837 C PHE A 115 -3.951 6.046 8.915 1.00 0.00 C ATOM 1838 O PHE A 115 -4.389 6.447 9.993 1.00 0.00 O ATOM 1839 CB PHE A 115 -1.739 4.881 8.454 1.00 0.00 C ATOM 1840 CG PHE A 115 -2.466 3.731 9.079 1.00 0.00 C ATOM 1841 CD1 PHE A 115 -2.937 3.832 10.368 1.00 0.00 C ATOM 1842 CD2 PHE A 115 -2.670 2.555 8.381 1.00 0.00 C ATOM 1843 CE1 PHE A 115 -3.602 2.785 10.963 1.00 0.00 C ATOM 1844 CE2 PHE A 115 -3.336 1.501 8.967 1.00 0.00 C ATOM 1845 CZ PHE A 115 -3.802 1.617 10.262 1.00 0.00 C ATOM 1846 HA PHE A 115 -2.420 6.727 7.594 1.00 0.00 H ATOM 1847 HB2 PHE A 115 -1.592 4.658 7.397 1.00 0.00 H ATOM 1848 HB3 PHE A 115 -0.769 4.977 8.942 1.00 0.00 H ATOM 1849 HD2 PHE A 115 -2.301 2.461 7.360 1.00 0.00 H ATOM 1850 HE2 PHE A 115 -3.495 0.578 8.410 1.00 0.00 H ATOM 1851 HZ PHE A 115 -4.328 0.784 10.729 1.00 0.00 H ATOM 1852 HE1 PHE A 115 -3.969 2.880 11.985 1.00 0.00 H ATOM 1853 HD1 PHE A 115 -2.781 4.755 10.926 1.00 0.00 H ATOM 1854 H PHE A 115 -1.238 6.594 10.304 1.00 0.00 H ATOM 1855 N PRO A 116 -4.746 5.432 8.019 1.00 0.00 N ATOM 1856 CA PRO A 116 -6.175 5.206 8.270 1.00 0.00 C ATOM 1857 C PRO A 116 -6.406 4.233 9.428 1.00 0.00 C ATOM 1858 O PRO A 116 -5.848 3.138 9.443 1.00 0.00 O ATOM 1859 CB PRO A 116 -6.683 4.606 6.955 1.00 0.00 C ATOM 1860 CG PRO A 116 -5.474 4.033 6.300 1.00 0.00 C ATOM 1861 CD PRO A 116 -4.325 4.913 6.706 1.00 0.00 C ATOM 1862 HA PRO A 116 -6.690 6.123 8.556 1.00 0.00 H ATOM 1863 HD3 PRO A 116 -3.403 4.338 6.790 1.00 0.00 H ATOM 1864 HD2 PRO A 116 -4.182 5.724 5.992 1.00 0.00 H ATOM 1865 HG3 PRO A 116 -5.591 4.039 5.216 1.00 0.00 H ATOM 1866 HG2 PRO A 116 -5.307 3.011 6.640 1.00 0.00 H ATOM 1867 HB2 PRO A 116 -7.420 3.827 7.149 1.00 0.00 H ATOM 1868 HB3 PRO A 116 -7.129 5.378 6.328 1.00 0.00 H ATOM 1869 N PRO A 117 -7.230 4.620 10.420 1.00 0.00 N ATOM 1870 CA PRO A 117 -7.518 3.772 11.586 1.00 0.00 C ATOM 1871 C PRO A 117 -8.296 2.509 11.226 1.00 0.00 C ATOM 1872 O PRO A 117 -8.287 1.531 11.973 1.00 0.00 O ATOM 1873 CB PRO A 117 -8.362 4.677 12.490 1.00 0.00 C ATOM 1874 CG PRO A 117 -8.958 5.686 11.571 1.00 0.00 C ATOM 1875 CD PRO A 117 -7.938 5.912 10.491 1.00 0.00 C ATOM 1876 HA PRO A 117 -6.601 3.411 12.052 1.00 0.00 H ATOM 1877 HD3 PRO A 117 -8.419 6.147 9.542 1.00 0.00 H ATOM 1878 HD2 PRO A 117 -7.255 6.718 10.760 1.00 0.00 H ATOM 1879 HG3 PRO A 117 -9.157 6.615 12.105 1.00 0.00 H ATOM 1880 HG2 PRO A 117 -9.886 5.308 11.143 1.00 0.00 H ATOM 1881 HB2 PRO A 117 -9.143 4.102 12.988 1.00 0.00 H ATOM 1882 HB3 PRO A 117 -7.737 5.162 13.239 1.00 0.00 H ATOM 1883 N ALA A 118 -8.971 2.535 10.082 1.00 0.00 N ATOM 1884 CA ALA A 118 -9.756 1.390 9.630 1.00 0.00 C ATOM 1885 C ALA A 118 -8.867 0.227 9.197 1.00 0.00 C ATOM 1886 O ALA A 118 -9.354 -0.873 8.940 1.00 0.00 O ATOM 1887 CB ALA A 118 -10.679 1.801 8.493 1.00 0.00 C ATOM 1888 HA ALA A 118 -10.356 1.048 10.473 1.00 0.00 H ATOM 1889 HB1 ALA A 118 -11.355 2.583 8.840 1.00 0.00 H ATOM 1890 HB2 ALA A 118 -10.083 2.177 7.661 1.00 0.00 H ATOM 1891 HB3 ALA A 118 -11.258 0.937 8.166 1.00 0.00 H ATOM 1892 H ALA A 118 -8.939 3.392 9.494 1.00 0.00 H ATOM 1893 N ASN A 119 -7.568 0.479 9.102 1.00 0.00 N ATOM 1894 CA ASN A 119 -6.620 -0.544 8.682 1.00 0.00 C ATOM 1895 C ASN A 119 -5.592 -0.828 9.778 1.00 0.00 C ATOM 1896 O ASN A 119 -4.427 -1.105 9.491 1.00 0.00 O ATOM 1897 CB ASN A 119 -5.923 -0.074 7.405 1.00 0.00 C ATOM 1898 CG ASN A 119 -6.450 -0.772 6.168 1.00 0.00 C ATOM 1899 OD1 ASN A 119 -5.688 -1.347 5.392 1.00 0.00 O ATOM 1900 ND2 ASN A 119 -7.764 -0.719 5.976 1.00 0.00 N ATOM 1901 HA ASN A 119 -7.158 -1.473 8.491 1.00 0.00 H ATOM 1902 HB2 ASN A 119 -6.080 0.999 7.295 1.00 0.00 H ATOM 1903 HB3 ASN A 119 -4.856 -0.277 7.494 1.00 0.00 H ATOM 1904 HD22 ASN A 119 -8.370 -0.221 6.659 1.00 0.00 H ATOM 1905 HD21 ASN A 119 -8.187 -1.175 5.142 1.00 0.00 H ATOM 1906 H ASN A 119 -7.218 1.431 9.333 1.00 0.00 H ATOM 1907 N GLU A 120 -6.026 -0.742 11.034 1.00 0.00 N ATOM 1908 CA GLU A 120 -5.137 -0.971 12.175 1.00 0.00 C ATOM 1909 C GLU A 120 -4.825 -2.455 12.384 1.00 0.00 C ATOM 1910 O GLU A 120 -3.677 -2.812 12.636 1.00 0.00 O ATOM 1911 CB GLU A 120 -5.741 -0.374 13.449 1.00 0.00 C ATOM 1912 CG GLU A 120 -4.898 0.735 14.056 1.00 0.00 C ATOM 1913 CD GLU A 120 -5.136 0.899 15.545 1.00 0.00 C ATOM 1914 OE1 GLU A 120 -5.626 -0.060 16.177 1.00 0.00 O ATOM 1915 OE2 GLU A 120 -4.833 1.987 16.078 1.00 0.00 O ATOM 1916 HA GLU A 120 -4.195 -0.471 11.951 1.00 0.00 H ATOM 1917 HB2 GLU A 120 -6.724 0.031 13.208 1.00 0.00 H ATOM 1918 HB3 GLU A 120 -5.848 -1.170 14.186 1.00 0.00 H ATOM 1919 HG2 GLU A 120 -3.845 0.503 13.894 1.00 0.00 H ATOM 1920 HG3 GLU A 120 -5.143 1.673 13.557 1.00 0.00 H ATOM 1921 H GLU A 120 -7.024 -0.506 11.209 1.00 0.00 H ATOM 1922 N PRO A 121 -5.829 -3.345 12.292 1.00 0.00 N ATOM 1923 CA PRO A 121 -5.618 -4.784 12.486 1.00 0.00 C ATOM 1924 C PRO A 121 -4.379 -5.298 11.757 1.00 0.00 C ATOM 1925 O PRO A 121 -3.698 -6.208 12.232 1.00 0.00 O ATOM 1926 CB PRO A 121 -6.886 -5.399 11.899 1.00 0.00 C ATOM 1927 CG PRO A 121 -7.935 -4.364 12.118 1.00 0.00 C ATOM 1928 CD PRO A 121 -7.242 -3.030 12.002 1.00 0.00 C ATOM 1929 HA PRO A 121 -5.447 -5.038 13.532 1.00 0.00 H ATOM 1930 HD3 PRO A 121 -7.351 -2.621 10.998 1.00 0.00 H ATOM 1931 HD2 PRO A 121 -7.640 -2.320 12.728 1.00 0.00 H ATOM 1932 HG3 PRO A 121 -8.376 -4.476 13.109 1.00 0.00 H ATOM 1933 HG2 PRO A 121 -8.716 -4.451 11.362 1.00 0.00 H ATOM 1934 HB2 PRO A 121 -6.760 -5.602 10.836 1.00 0.00 H ATOM 1935 HB3 PRO A 121 -7.142 -6.324 12.416 1.00 0.00 H ATOM 1936 N VAL A 122 -4.086 -4.699 10.610 1.00 0.00 N ATOM 1937 CA VAL A 122 -2.924 -5.079 9.819 1.00 0.00 C ATOM 1938 C VAL A 122 -1.656 -4.495 10.424 1.00 0.00 C ATOM 1939 O VAL A 122 -0.677 -5.205 10.654 1.00 0.00 O ATOM 1940 CB VAL A 122 -3.053 -4.598 8.361 1.00 0.00 C ATOM 1941 CG1 VAL A 122 -1.861 -5.055 7.534 1.00 0.00 C ATOM 1942 CG2 VAL A 122 -4.353 -5.096 7.751 1.00 0.00 C ATOM 1943 HA VAL A 122 -2.869 -6.168 9.825 1.00 0.00 H ATOM 1944 HB VAL A 122 -3.067 -3.508 8.360 1.00 0.00 H ATOM 1945 HG11 VAL A 122 -0.946 -4.644 7.960 1.00 0.00 H ATOM 1946 HG12 VAL A 122 -1.811 -6.144 7.542 1.00 0.00 H ATOM 1947 HG13 VAL A 122 -1.975 -4.703 6.509 1.00 0.00 H ATOM 1948 HG21 VAL A 122 -4.367 -6.186 7.768 1.00 0.00 H ATOM 1949 HG22 VAL A 122 -5.194 -4.712 8.328 1.00 0.00 H ATOM 1950 HG23 VAL A 122 -4.427 -4.747 6.721 1.00 0.00 H ATOM 1951 H VAL A 122 -4.704 -3.936 10.266 1.00 0.00 H ATOM 1952 N ILE A 123 -1.686 -3.192 10.680 1.00 0.00 N ATOM 1953 CA ILE A 123 -0.543 -2.505 11.260 1.00 0.00 C ATOM 1954 C ILE A 123 -0.282 -2.985 12.680 1.00 0.00 C ATOM 1955 O ILE A 123 0.853 -2.997 13.135 1.00 0.00 O ATOM 1956 CB ILE A 123 -0.744 -0.979 11.279 1.00 0.00 C ATOM 1957 CG1 ILE A 123 -1.039 -0.461 9.872 1.00 0.00 C ATOM 1958 CG2 ILE A 123 0.487 -0.293 11.849 1.00 0.00 C ATOM 1959 CD1 ILE A 123 0.185 -0.388 8.985 1.00 0.00 C ATOM 1960 HA ILE A 123 0.315 -2.739 10.630 1.00 0.00 H ATOM 1961 HB ILE A 123 -1.598 -0.749 11.917 1.00 0.00 H ATOM 1962 HG12 ILE A 123 -1.765 -1.126 9.404 1.00 0.00 H ATOM 1963 HG13 ILE A 123 -1.465 0.539 9.955 1.00 0.00 H ATOM 1964 HD11 ILE A 123 0.917 0.284 9.433 1.00 0.00 H ATOM 1965 HD12 ILE A 123 0.618 -1.383 8.882 1.00 0.00 H ATOM 1966 HD13 ILE A 123 -0.102 -0.012 8.003 1.00 0.00 H ATOM 1967 HG21 ILE A 123 0.658 -0.643 12.867 1.00 0.00 H ATOM 1968 HG22 ILE A 123 1.353 -0.531 11.231 1.00 0.00 H ATOM 1969 HG23 ILE A 123 0.330 0.786 11.856 1.00 0.00 H ATOM 1970 H ILE A 123 -2.547 -2.651 10.461 1.00 0.00 H ATOM 1971 N ALA A 124 -1.335 -3.386 13.379 1.00 0.00 N ATOM 1972 CA ALA A 124 -1.191 -3.867 14.746 1.00 0.00 C ATOM 1973 C ALA A 124 -0.175 -5.002 14.808 1.00 0.00 C ATOM 1974 O ALA A 124 0.466 -5.222 15.835 1.00 0.00 O ATOM 1975 CB ALA A 124 -2.535 -4.325 15.292 1.00 0.00 C ATOM 1976 HA ALA A 124 -0.828 -3.046 15.365 1.00 0.00 H ATOM 1977 HB1 ALA A 124 -3.234 -3.489 15.281 1.00 0.00 H ATOM 1978 HB2 ALA A 124 -2.922 -5.132 14.670 1.00 0.00 H ATOM 1979 HB3 ALA A 124 -2.408 -4.681 16.314 1.00 0.00 H ATOM 1980 H ALA A 124 -2.279 -3.357 12.944 1.00 0.00 H ATOM 1981 N LYS A 125 -0.034 -5.719 13.696 1.00 0.00 N ATOM 1982 CA LYS A 125 0.906 -6.833 13.620 1.00 0.00 C ATOM 1983 C LYS A 125 2.339 -6.349 13.383 1.00 0.00 C ATOM 1984 O LYS A 125 3.261 -6.742 14.098 1.00 0.00 O ATOM 1985 CB LYS A 125 0.493 -7.797 12.507 1.00 0.00 C ATOM 1986 CG LYS A 125 0.926 -9.233 12.754 1.00 0.00 C ATOM 1987 CD LYS A 125 -0.022 -10.222 12.095 1.00 0.00 C ATOM 1988 CE LYS A 125 -1.280 -10.423 12.924 1.00 0.00 C ATOM 1989 NZ LYS A 125 -1.203 -11.652 13.762 1.00 0.00 N ATOM 1990 HA LYS A 125 0.881 -7.351 14.579 1.00 0.00 H ATOM 1991 HB2 LYS A 125 -0.593 -7.775 12.417 1.00 0.00 H ATOM 1992 HB3 LYS A 125 0.941 -7.458 11.573 1.00 0.00 H ATOM 1993 HG2 LYS A 125 1.927 -9.376 12.347 1.00 0.00 H ATOM 1994 HG3 LYS A 125 0.942 -9.419 13.828 1.00 0.00 H ATOM 1995 HD2 LYS A 125 -0.302 -9.844 11.112 1.00 0.00 H ATOM 1996 HD3 LYS A 125 0.486 -11.180 11.983 1.00 0.00 H ATOM 1997 HE2 LYS A 125 -2.135 -10.507 12.253 1.00 0.00 H ATOM 1998 HE3 LYS A 125 -1.415 -9.560 13.576 1.00 0.00 H ATOM 1999 HZ1 LYS A 125 -1.081 -12.482 13.147 1.00 0.00 H ATOM 2000 HZ2 LYS A 125 -0.393 -11.578 14.411 1.00 0.00 H ATOM 2001 HZ3 LYS A 125 -2.081 -11.751 14.311 1.00 0.00 H ATOM 2002 H LYS A 125 -0.607 -5.480 12.862 1.00 0.00 H ATOM 2003 N LEU A 126 2.523 -5.507 12.368 1.00 0.00 N ATOM 2004 CA LEU A 126 3.847 -4.986 12.028 1.00 0.00 C ATOM 2005 C LEU A 126 4.269 -3.864 12.973 1.00 0.00 C ATOM 2006 O LEU A 126 5.448 -3.721 13.295 1.00 0.00 O ATOM 2007 CB LEU A 126 3.859 -4.475 10.587 1.00 0.00 C ATOM 2008 CG LEU A 126 5.246 -4.373 9.948 1.00 0.00 C ATOM 2009 CD1 LEU A 126 5.986 -5.698 10.062 1.00 0.00 C ATOM 2010 CD2 LEU A 126 5.133 -3.944 8.491 1.00 0.00 C ATOM 2011 HA LEU A 126 4.559 -5.804 12.132 1.00 0.00 H ATOM 2012 HB2 LEU A 126 3.257 -5.153 9.982 1.00 0.00 H ATOM 2013 HB3 LEU A 126 3.408 -3.483 10.576 1.00 0.00 H ATOM 2014 HG LEU A 126 5.817 -3.615 10.485 1.00 0.00 H ATOM 2015 HD21 LEU A 126 4.543 -4.678 7.942 1.00 0.00 H ATOM 2016 HD22 LEU A 126 4.646 -2.971 8.437 1.00 0.00 H ATOM 2017 HD23 LEU A 126 6.130 -3.877 8.055 1.00 0.00 H ATOM 2018 HD11 LEU A 126 6.099 -5.960 11.114 1.00 0.00 H ATOM 2019 HD12 LEU A 126 5.417 -6.475 9.552 1.00 0.00 H ATOM 2020 HD13 LEU A 126 6.970 -5.604 9.602 1.00 0.00 H ATOM 2021 H LEU A 126 1.703 -5.212 11.801 1.00 0.00 H ATOM 2022 N LYS A 127 3.300 -3.070 13.408 1.00 0.00 N ATOM 2023 CA LYS A 127 3.557 -1.954 14.313 1.00 0.00 C ATOM 2024 C LYS A 127 4.319 -2.412 15.545 1.00 0.00 C ATOM 2025 O LYS A 127 5.262 -1.758 15.988 1.00 0.00 O ATOM 2026 CB LYS A 127 2.242 -1.328 14.741 1.00 0.00 C ATOM 2027 CG LYS A 127 2.407 -0.081 15.590 1.00 0.00 C ATOM 2028 CD LYS A 127 1.150 0.774 15.575 1.00 0.00 C ATOM 2029 CE LYS A 127 1.084 1.688 16.788 1.00 0.00 C ATOM 2030 NZ LYS A 127 2.298 2.542 16.907 1.00 0.00 N ATOM 2031 HA LYS A 127 4.164 -1.220 13.782 1.00 0.00 H ATOM 2032 HB2 LYS A 127 1.679 -1.063 13.846 1.00 0.00 H ATOM 2033 HB3 LYS A 127 1.681 -2.065 15.316 1.00 0.00 H ATOM 2034 HG2 LYS A 127 2.622 -0.377 16.617 1.00 0.00 H ATOM 2035 HG3 LYS A 127 3.239 0.505 15.201 1.00 0.00 H ATOM 2036 HD2 LYS A 127 1.146 1.383 14.671 1.00 0.00 H ATOM 2037 HD3 LYS A 127 0.277 0.121 15.575 1.00 0.00 H ATOM 2038 HE2 LYS A 127 0.994 1.077 17.686 1.00 0.00 H ATOM 2039 HE3 LYS A 127 0.208 2.331 16.698 1.00 0.00 H ATOM 2040 HZ1 LYS A 127 3.138 1.937 17.000 1.00 0.00 H ATOM 2041 HZ2 LYS A 127 2.388 3.134 16.057 1.00 0.00 H ATOM 2042 HZ3 LYS A 127 2.212 3.150 17.747 1.00 0.00 H ATOM 2043 H LYS A 127 2.325 -3.248 13.094 1.00 0.00 H ATOM 2044 N ARG A 128 3.910 -3.554 16.082 1.00 0.00 N ATOM 2045 CA ARG A 128 4.562 -4.118 17.251 1.00 0.00 C ATOM 2046 C ARG A 128 5.924 -4.689 16.866 1.00 0.00 C ATOM 2047 O ARG A 128 6.684 -5.145 17.720 1.00 0.00 O ATOM 2048 CB ARG A 128 3.686 -5.209 17.869 1.00 0.00 C ATOM 2049 CG ARG A 128 4.157 -5.669 19.239 1.00 0.00 C ATOM 2050 CD ARG A 128 3.954 -7.164 19.426 1.00 0.00 C ATOM 2051 NE ARG A 128 2.640 -7.472 19.984 1.00 0.00 N ATOM 2052 CZ ARG A 128 2.247 -7.108 21.203 1.00 0.00 C ATOM 2053 NH1 ARG A 128 3.064 -6.424 21.994 1.00 0.00 N ATOM 2054 NH2 ARG A 128 1.034 -7.428 21.632 1.00 0.00 N ATOM 2055 HA ARG A 128 4.708 -3.329 17.988 1.00 0.00 H ATOM 2056 HB2 ARG A 128 2.671 -4.822 17.966 1.00 0.00 H ATOM 2057 HB3 ARG A 128 3.683 -6.069 17.199 1.00 0.00 H ATOM 2058 HG2 ARG A 128 5.217 -5.439 19.345 1.00 0.00 H ATOM 2059 HG3 ARG A 128 3.593 -5.136 20.005 1.00 0.00 H ATOM 2060 HD2 ARG A 128 4.721 -7.542 20.102 1.00 0.00 H ATOM 2061 HD3 ARG A 128 4.050 -7.656 18.458 1.00 0.00 H ATOM 2062 HE ARG A 128 1.971 -8.007 19.394 1.00 0.00 H ATOM 2063 HH12 ARG A 128 2.752 -6.142 22.945 1.00 0.00 H ATOM 2064 HH11 ARG A 128 4.016 -6.170 21.663 1.00 0.00 H ATOM 2065 HH22 ARG A 128 0.727 -7.144 22.584 1.00 0.00 H ATOM 2066 HH21 ARG A 128 0.389 -7.963 21.016 1.00 0.00 H ATOM 2067 H ARG A 128 3.105 -4.056 15.657 1.00 0.00 H ATOM 2068 N LEU A 129 6.227 -4.654 15.567 1.00 0.00 N ATOM 2069 CA LEU A 129 7.498 -5.163 15.063 1.00 0.00 C ATOM 2070 C LEU A 129 7.710 -6.615 15.479 1.00 0.00 C ATOM 2071 O LEU A 129 6.753 -7.372 15.641 1.00 0.00 O ATOM 2072 CB LEU A 129 8.652 -4.299 15.574 1.00 0.00 C ATOM 2073 CG LEU A 129 8.587 -2.824 15.167 1.00 0.00 C ATOM 2074 CD1 LEU A 129 7.974 -1.990 16.281 1.00 0.00 C ATOM 2075 CD2 LEU A 129 9.972 -2.305 14.812 1.00 0.00 C ATOM 2076 HA LEU A 129 7.472 -5.119 13.974 1.00 0.00 H ATOM 2077 HB2 LEU A 129 8.656 -4.350 16.663 1.00 0.00 H ATOM 2078 HB3 LEU A 129 9.583 -4.715 15.189 1.00 0.00 H ATOM 2079 HG LEU A 129 7.953 -2.739 14.285 1.00 0.00 H ATOM 2080 HD21 LEU A 129 10.629 -2.405 15.676 1.00 0.00 H ATOM 2081 HD22 LEU A 129 10.373 -2.884 13.980 1.00 0.00 H ATOM 2082 HD23 LEU A 129 9.903 -1.256 14.526 1.00 0.00 H ATOM 2083 HD11 LEU A 129 6.964 -2.346 16.486 1.00 0.00 H ATOM 2084 HD12 LEU A 129 8.583 -2.083 17.180 1.00 0.00 H ATOM 2085 HD13 LEU A 129 7.937 -0.945 15.972 1.00 0.00 H ATOM 2086 H LEU A 129 5.540 -4.254 14.897 1.00 0.00 H TER 2087 LEU A 129 HETATM 2088 MG MG A 1 -3.871 1.954 -9.705 1.00 0.00 MG HETATM 2089 O HOH 2 -3.492 3.357 -8.174 1.00 0.00 O HETATM 2090 O HOH 3 -5.593 3.043 -10.257 1.00 0.00 O HETATM 2091 O3P UNN A 4 -8.829 5.247 -4.304 1.00 -0.55 O HETATM 2092 P UNN A 4 -9.702 3.897 -4.377 1.00 0.20 P HETATM 2093 O1P UNN A 4 -8.785 2.738 -4.291 1.00 -0.55 O HETATM 2094 O2P UNN A 4 -10.621 4.002 -5.533 1.00 -0.55 O HETATM 2095 O5 UNN A 4 -10.566 3.977 -3.021 1.00 -0.27 O HETATM 2096 C5 UNN A 4 -11.351 2.857 -2.604 1.00 0.11 C HETATM 2097 C4 UNN A 4 -10.466 1.628 -2.381 1.00 0.12 C HETATM 2098 O4 UNN A 4 -9.400 1.673 -1.426 1.00 -0.34 O HETATM 2099 C1 UNN A 4 -9.470 0.846 -0.257 1.00 0.17 C HETATM 2100 C2 UNN A 4 -10.629 -0.087 -0.620 1.00 0.03 C HETATM 2101 C3 UNN A 4 -11.251 0.393 -1.935 1.00 0.09 C HETATM 2102 O3 UNN A 4 -11.230 -0.631 -2.933 1.00 -0.39 O HETATM 2103 H5 UNN A 4 -11.725 -1.381 -2.626 1.00 0.21 H HETATM 2104 H4 UNN A 4 -12.298 0.677 -1.755 1.00 0.06 H HETATM 2105 H6 UNN A 4 -10.254 -1.114 -0.741 1.00 0.03 H HETATM 2106 H7 UNN A 4 -11.386 -0.065 0.178 1.00 0.03 H HETATM 2107 N9 UNN A 4 -9.416 1.300 1.151 1.00 -0.18 N HETATM 2108 C8 UNN A 4 -10.500 1.858 1.776 1.00 0.30 C HETATM 2109 N7 UNN A 4 -10.072 2.100 3.054 1.00 -0.24 N HETATM 2110 C5 UNN A 4 -8.771 1.708 3.228 1.00 0.14 C HETATM 2111 C6 UNN A 4 -7.896 1.720 4.258 1.00 0.22 C HETATM 2112 O6 UNN A 4 -8.284 2.188 5.384 1.00 -0.42 O HETATM 2113 N1 UNN A 4 -6.594 1.244 4.151 1.00 -0.19 N HETATM 2114 C2 UNN A 4 -6.200 0.743 2.939 1.00 0.23 C HETATM 2115 N2 UNN A 4 -4.945 0.284 2.839 1.00 -0.28 N HETATM 2116 H11 UNN A 4 -4.607 -0.102 1.946 1.00 0.19 H HETATM 2117 H12 UNN A 4 -4.318 0.317 3.656 1.00 0.19 H HETATM 2118 N3 UNN A 4 -7.028 0.685 1.813 1.00 -0.29 N HETATM 2119 C4 UNN A 4 -8.337 1.195 2.022 1.00 0.11 C HETATM 2120 H10 UNN A 4 -5.968 1.267 4.931 1.00 0.25 H HETATM 2121 H9 UNN A 4 -10.637 2.511 3.769 1.00 0.21 H HETATM 2122 O8 UNN A 4 -11.659 2.090 1.285 1.00 -0.41 O HETATM 2123 H8 UNN A 4 -8.559 0.233 -0.316 1.00 0.09 H HETATM 2124 H3 UNN A 4 -10.013 1.420 -3.362 1.00 0.06 H HETATM 2125 H1 UNN A 4 -12.096 2.629 -3.381 1.00 0.06 H HETATM 2126 H2 UNN A 4 -11.865 3.107 -1.664 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 605 604 2088 CONECT 838 836 2088 CONECT 888 887 2088 CONECT 903 902 2088 CONECT 2088 605 838 888 903 CONECT 2091 2092 CONECT 2092 2091 2093 2094 2095 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 2096 CONECT 2096 2095 2097 2125 2126 CONECT 2097 2096 2098 2101 2124 CONECT 2098 2097 2099 CONECT 2099 2098 2100 2107 2123 CONECT 2100 2099 2101 2105 2106 CONECT 2101 2097 2100 2102 2104 CONECT 2102 2101 2103 CONECT 2103 2102 CONECT 2104 2101 CONECT 2105 2100 CONECT 2106 2100 CONECT 2107 2099 2108 2119 CONECT 2108 2107 2109 2122 CONECT 2109 2108 2110 2121 CONECT 2110 2109 2111 2119 CONECT 2111 2110 2112 2113 CONECT 2112 2111 CONECT 2113 2111 2114 2120 CONECT 2114 2113 2115 2118 CONECT 2115 2114 2116 2117 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2114 2119 CONECT 2119 2107 2110 2118 CONECT 2120 2113 CONECT 2121 2109 CONECT 2122 2108 CONECT 2123 2099 CONECT 2124 2097 CONECT 2125 2096 CONECT 2126 2096 MASTER 0 0 0 0 0 0 0 0 2125 1 45 10 END
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Related entries of code: 1pus
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ppx
RCSB PDB
PDBbind
129aa, >1PPX_1|Chain... *
1pun
RCSB PDB
PDBbind
129aa, >1PUN_1|Chain... at 100%
1puq
RCSB PDB
PDBbind
129aa, >1PUQ_1|Chain... at 100%
3a6t
RCSB PDB
PDBbind
129aa, >3A6T_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ppx
RCSB PDB
PDBbind
8OG
1pun
RCSB PDB
PDBbind
8OG
1puq
RCSB PDB
PDBbind
8OG
3a6t
RCSB PDB
PDBbind
8OG
Entry Information
PDB ID
1pus
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mutator mutt protein
Ligand Name
8OG
EC.Number
E.C.3.6.1.0
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=52nM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v42 pp. 10140-54, 2003
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
8
P
Molecular Weight
364.229
Exact Mass
364.066
No. of atoms
39
No. of bonds
41
Polar Surface Area
222.53
LOGP Value
-4.40 (
Computed with XLOGP3
)
-2.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)O)n1c(=O)[nH]c2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C10H16N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16,19-21,24H,1-2H2,(H,12,18)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08337
Entrez Gene ID
NCBI Entrez Gene ID:
944824
ASD
Information of known allosteric effects of PDB entries
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