Browse entries in the PDBbind-CN Database
HEADER 5FDD_COMPLEX COMPND 5FDD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 GLY PRO LEU GLY SER MET GLU ASP PHE VAL ARG GLN CYS SEQRES 2 A 181 PHE ASN PRO MET ILE VAL GLU LEU ALA GLU LYS THR MET SEQRES 3 A 181 LYS GLU TYR GLY GLU ASP LEU LYS ILE GLU THR ASN LYS SEQRES 4 A 181 PHE ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET SEQRES 5 A 181 TYR SER ASP ALA SER LYS HIS ARG PHE GLU ILE ILE GLU SEQRES 6 A 181 GLY ARG ASP ARG THR MET ALA TRP THR VAL VAL ASN SER SEQRES 7 A 181 ILE CYS ASN THR THR GLY ALA GLU LYS PRO LYS PHE LEU SEQRES 8 A 181 PRO ASP LEU TYR ASP TYR LYS GLU ASN ARG PHE ILE GLU SEQRES 9 A 181 ILE GLY VAL THR ARG ARG GLU VAL HIS ILE TYR TYR LEU SEQRES 10 A 181 GLU LYS ALA ASN LYS ILE LYS SER GLU LYS THR HIS ILE SEQRES 11 A 181 HIS ILE PHE SER PHE THR GLY GLU GLU MET ALA THR LYS SEQRES 12 A 181 ALA ASP TYR THR LEU ASP GLU GLU SER ARG ALA ARG ILE SEQRES 13 A 181 LYS THR ARG LEU PHE THR ILE ARG GLN GLU MET ALA SER SEQRES 14 A 181 ARG GLY LEU TRP ASP SER PHE ARG GLN SER GLU ARG HET MN A 1 1 HET UNN A 206 30 ATOM 1 N GLY A 1 5.504 0.699 -20.939 1.00 76.53 N ATOM 2 CA GLY A 1 6.083 1.370 -19.788 1.00 83.92 C ATOM 3 C GLY A 1 7.196 0.558 -19.154 1.00 84.04 C ATOM 4 O GLY A 1 7.957 -0.109 -19.856 1.00 76.91 O ATOM 5 HN3 GLY A 1 5.109 -0.216 -20.643 1.00 0.00 H ATOM 6 HN2 GLY A 1 6.241 0.544 -21.656 1.00 0.00 H ATOM 7 HN1 GLY A 1 4.748 1.290 -21.340 1.00 0.00 H ATOM 8 N PRO A 2 7.299 0.613 -17.817 1.00 71.31 N ATOM 9 CA PRO A 2 8.281 -0.179 -17.063 1.00 65.71 C ATOM 10 C PRO A 2 7.951 -1.674 -17.052 1.00 57.86 C ATOM 11 O PRO A 2 6.870 -2.054 -16.609 1.00 61.64 O ATOM 12 CB PRO A 2 8.164 0.389 -15.645 1.00 58.58 C ATOM 13 CG PRO A 2 6.780 0.951 -15.572 1.00 55.60 C ATOM 14 CD PRO A 2 6.499 1.489 -16.942 1.00 63.08 C ATOM 15 N LEU A 3 8.866 -2.511 -17.531 1.00 49.89 N ATOM 16 CA LEU A 3 8.642 -3.957 -17.514 1.00 53.44 C ATOM 17 C LEU A 3 8.990 -4.561 -16.162 1.00 52.48 C ATOM 18 O LEU A 3 10.034 -4.249 -15.588 1.00 52.07 O ATOM 19 CB LEU A 3 9.431 -4.659 -18.622 1.00 48.51 C ATOM 20 CG LEU A 3 8.611 -4.992 -19.869 1.00 61.70 C ATOM 21 CD1 LEU A 3 8.099 -3.718 -20.524 1.00 72.96 C ATOM 22 CD2 LEU A 3 9.405 -5.798 -20.868 1.00 56.27 C ATOM 23 H LEU A 3 9.752 -2.133 -17.923 1.00 0.00 H ATOM 24 N GLY A 4 8.118 -5.431 -15.659 1.00 48.47 N ATOM 25 CA GLY A 4 8.316 -6.022 -14.344 1.00 52.97 C ATOM 26 C GLY A 4 8.882 -7.426 -14.394 1.00 47.31 C ATOM 27 O GLY A 4 8.986 -8.024 -15.466 1.00 55.54 O ATOM 28 H GLY A 4 7.280 -5.693 -16.216 1.00 0.00 H ATOM 29 N SER A 5 9.260 -7.952 -13.233 1.00 51.02 N ATOM 30 CA SER A 5 9.749 -9.327 -13.150 1.00 54.01 C ATOM 31 C SER A 5 8.600 -10.291 -12.878 1.00 44.04 C ATOM 32 O SER A 5 7.831 -10.089 -11.941 1.00 49.94 O ATOM 33 CB SER A 5 10.799 -9.457 -12.043 1.00 56.35 C ATOM 34 OG SER A 5 11.158 -10.814 -11.832 1.00 60.59 O ATOM 35 HG SER A 5 11.532 -11.189 -12.668 1.00 0.00 H ATOM 36 H SER A 5 9.207 -7.375 -12.369 1.00 0.00 H ATOM 37 N MET A 6 8.493 -11.341 -13.688 1.00 43.57 N ATOM 38 CA MET A 6 7.470 -12.364 -13.480 1.00 53.20 C ATOM 39 C MET A 6 7.606 -13.043 -12.115 1.00 57.54 C ATOM 40 O MET A 6 6.602 -13.347 -11.466 1.00 53.19 O ATOM 41 CB MET A 6 7.503 -13.412 -14.598 1.00 45.36 C ATOM 42 CG MET A 6 6.416 -14.478 -14.477 1.00 54.98 C ATOM 43 SD MET A 6 4.749 -13.781 -14.351 1.00 56.14 S ATOM 44 CE MET A 6 4.295 -13.705 -16.086 1.00 45.00 C ATOM 45 H MET A 6 9.152 -11.436 -14.487 1.00 0.00 H ATOM 46 N GLU A 7 8.842 -13.274 -11.676 1.00 53.52 N ATOM 47 CA GLU A 7 9.065 -13.934 -10.391 1.00 60.08 C ATOM 48 C GLU A 7 8.574 -13.068 -9.229 1.00 56.55 C ATOM 49 O GLU A 7 7.921 -13.563 -8.301 1.00 60.36 O ATOM 50 CB GLU A 7 10.539 -14.292 -10.217 1.00 49.39 C ATOM 51 CG GLU A 7 10.815 -15.146 -8.988 1.00 67.43 C ATOM 52 CD GLU A 7 12.258 -15.612 -8.902 1.00 84.23 C ATOM 53 OE1 GLU A 7 12.912 -15.751 -9.958 1.00 88.07 O ATOM 54 OE2 GLU A 7 12.736 -15.840 -7.771 1.00 74.94 O ATOM 55 H GLU A 7 9.656 -12.982 -12.253 1.00 0.00 H ATOM 56 N ASP A 8 8.884 -11.776 -9.295 1.00 57.49 N ATOM 57 CA ASP A 8 8.373 -10.815 -8.326 1.00 60.13 C ATOM 58 C ASP A 8 6.847 -10.847 -8.289 1.00 58.15 C ATOM 59 O ASP A 8 6.249 -10.940 -7.215 1.00 55.78 O ATOM 60 CB ASP A 8 8.853 -9.400 -8.663 1.00 74.19 C ATOM 61 CG ASP A 8 10.347 -9.216 -8.446 1.00 88.88 C ATOM 62 OD1 ASP A 8 10.962 -10.054 -7.751 1.00 81.33 O ATOM 63 OD2 ASP A 8 10.901 -8.220 -8.965 1.00 78.67 O ATOM 64 H ASP A 8 9.507 -11.443 -10.058 1.00 0.00 H ATOM 65 N PHE A 9 6.224 -10.777 -9.465 1.00 49.68 N ATOM 66 CA PHE A 9 4.766 -10.822 -9.562 1.00 60.44 C ATOM 67 C PHE A 9 4.185 -12.080 -8.915 1.00 55.40 C ATOM 68 O PHE A 9 3.267 -11.999 -8.102 1.00 46.69 O ATOM 69 CB PHE A 9 4.306 -10.729 -11.021 1.00 53.76 C ATOM 70 CG PHE A 9 2.895 -11.210 -11.239 1.00 51.96 C ATOM 71 CD1 PHE A 9 1.813 -10.411 -10.900 1.00 58.86 C ATOM 72 CD2 PHE A 9 2.653 -12.464 -11.776 1.00 48.66 C ATOM 73 CE1 PHE A 9 0.522 -10.855 -11.094 1.00 55.10 C ATOM 74 CE2 PHE A 9 1.368 -12.913 -11.967 1.00 50.41 C ATOM 75 CZ PHE A 9 0.301 -12.108 -11.630 1.00 49.19 C ATOM 76 H PHE A 9 6.788 -10.688 -10.334 1.00 0.00 H ATOM 77 N VAL A 10 4.727 -13.236 -9.287 1.00 42.16 N ATOM 78 CA VAL A 10 4.271 -14.514 -8.751 1.00 50.69 C ATOM 79 C VAL A 10 4.379 -14.554 -7.231 1.00 53.00 C ATOM 80 O VAL A 10 3.450 -15.005 -6.550 1.00 49.41 O ATOM 81 CB VAL A 10 5.051 -15.691 -9.366 1.00 53.23 C ATOM 82 CG1 VAL A 10 4.793 -16.965 -8.596 1.00 51.70 C ATOM 83 CG2 VAL A 10 4.665 -15.873 -10.825 1.00 41.04 C ATOM 84 H VAL A 10 5.501 -13.229 -9.982 1.00 0.00 H ATOM 85 N ARG A 11 5.498 -14.068 -6.697 1.00 59.09 N ATOM 86 CA ARG A 11 5.693 -14.078 -5.244 1.00 58.72 C ATOM 87 C ARG A 11 4.801 -13.072 -4.516 1.00 53.45 C ATOM 88 O ARG A 11 4.458 -13.269 -3.350 1.00 59.52 O ATOM 89 CB ARG A 11 7.165 -13.854 -4.884 1.00 65.52 C ATOM 90 CG ARG A 11 8.076 -14.954 -5.406 1.00 59.30 C ATOM 91 CD ARG A 11 9.506 -14.845 -4.899 1.00 45.82 C ATOM 92 NE ARG A 11 10.329 -15.891 -5.504 1.00 69.16 N ATOM 93 CZ ARG A 11 10.381 -17.146 -5.063 1.00 68.60 C ATOM 94 NH1 ARG A 11 9.667 -17.511 -4.005 1.00 59.35 N ATOM 95 NH2 ARG A 11 11.147 -18.039 -5.679 1.00 53.83 N ATOM 96 HE ARG A 11 10.909 -15.639 -6.329 1.00 0.00 H ATOM 97 HH12 ARG A 11 9.709 -18.492 -3.662 1.00 0.00 H ATOM 98 HH11 ARG A 11 9.065 -16.816 -3.519 1.00 0.00 H ATOM 99 HH22 ARG A 11 11.185 -19.019 -5.332 1.00 0.00 H ATOM 100 HH21 ARG A 11 11.708 -17.759 -6.508 1.00 0.00 H ATOM 101 H ARG A 11 6.239 -13.679 -7.315 1.00 0.00 H ATOM 102 N GLN A 12 4.415 -12.004 -5.208 1.00 52.30 N ATOM 103 CA GLN A 12 3.595 -10.964 -4.593 1.00 60.07 C ATOM 104 C GLN A 12 2.104 -11.298 -4.633 1.00 72.41 C ATOM 105 O GLN A 12 1.356 -10.950 -3.718 1.00 86.43 O ATOM 106 CB GLN A 12 3.832 -9.617 -5.281 1.00 60.06 C ATOM 107 CG GLN A 12 5.187 -8.979 -4.996 1.00 72.17 C ATOM 108 CD GLN A 12 5.446 -7.761 -5.865 1.00 81.88 C ATOM 109 OE1 GLN A 12 4.585 -7.347 -6.642 1.00 83.19 O ATOM 110 NE2 GLN A 12 6.636 -7.185 -5.742 1.00 85.54 N ATOM 111 HE22 GLN A 12 7.333 -7.569 -5.072 1.00 0.00 H ATOM 112 HE21 GLN A 12 6.871 -6.350 -6.315 1.00 0.00 H ATOM 113 H GLN A 12 4.702 -11.908 -6.203 1.00 0.00 H ATOM 114 N CYS A 13 1.677 -11.977 -5.693 1.00 52.17 N ATOM 115 CA CYS A 13 0.254 -12.129 -5.965 1.00 62.16 C ATOM 116 C CYS A 13 -0.303 -13.522 -5.688 1.00 58.52 C ATOM 117 O CYS A 13 -1.519 -13.699 -5.647 1.00 56.88 O ATOM 118 CB CYS A 13 -0.064 -11.704 -7.401 1.00 70.73 C ATOM 119 SG CYS A 13 0.074 -9.916 -7.681 1.00 99.24 S ATOM 120 H CYS A 13 2.370 -12.407 -6.339 1.00 0.00 H ATOM 121 N PHE A 14 0.570 -14.505 -5.502 1.00 56.48 N ATOM 122 CA PHE A 14 0.113 -15.838 -5.116 1.00 55.18 C ATOM 123 C PHE A 14 0.385 -16.140 -3.644 1.00 60.00 C ATOM 124 O PHE A 14 1.395 -15.712 -3.084 1.00 67.37 O ATOM 125 CB PHE A 14 0.736 -16.913 -6.007 1.00 56.56 C ATOM 126 CG PHE A 14 0.161 -16.952 -7.387 1.00 60.67 C ATOM 127 CD1 PHE A 14 -1.002 -17.662 -7.643 1.00 54.00 C ATOM 128 CD2 PHE A 14 0.779 -16.278 -8.429 1.00 58.39 C ATOM 129 CE1 PHE A 14 -1.538 -17.702 -8.911 1.00 52.99 C ATOM 130 CE2 PHE A 14 0.249 -16.313 -9.702 1.00 56.88 C ATOM 131 CZ PHE A 14 -0.912 -17.024 -9.945 1.00 55.94 C ATOM 132 H PHE A 14 1.586 -14.325 -5.632 1.00 0.00 H ATOM 133 N ASN A 15 -0.536 -16.870 -3.024 1.00 74.28 N ATOM 134 CA ASN A 15 -0.387 -17.320 -1.647 1.00 69.66 C ATOM 135 C ASN A 15 0.896 -18.138 -1.486 1.00 72.63 C ATOM 136 O ASN A 15 1.179 -19.010 -2.308 1.00 67.62 O ATOM 137 CB ASN A 15 -1.607 -18.153 -1.257 1.00 72.08 C ATOM 138 CG ASN A 15 -1.670 -18.445 0.223 1.00 82.66 C ATOM 139 OD1 ASN A 15 -1.104 -19.430 0.696 1.00 92.69 O ATOM 140 ND2 ASN A 15 -2.373 -17.597 0.964 1.00 92.31 N ATOM 141 HD22 ASN A 15 -2.834 -16.778 0.520 1.00 0.00 H ATOM 142 HD21 ASN A 15 -2.462 -17.752 1.988 1.00 0.00 H ATOM 143 H ASN A 15 -1.399 -17.131 -3.543 1.00 0.00 H ATOM 144 N PRO A 16 1.682 -17.843 -0.435 1.00 67.43 N ATOM 145 CA PRO A 16 3.007 -18.431 -0.179 1.00 54.77 C ATOM 146 C PRO A 16 3.015 -19.955 -0.217 1.00 57.69 C ATOM 147 O PRO A 16 3.991 -20.551 -0.685 1.00 64.06 O ATOM 148 CB PRO A 16 3.335 -17.937 1.228 1.00 54.77 C ATOM 149 CG PRO A 16 2.604 -16.644 1.341 1.00 59.29 C ATOM 150 CD PRO A 16 1.331 -16.820 0.566 1.00 58.87 C ATOM 151 N MET A 17 1.938 -20.566 0.271 1.00 63.65 N ATOM 152 CA MET A 17 1.753 -22.012 0.190 1.00 66.46 C ATOM 153 C MET A 17 1.814 -22.477 -1.269 1.00 64.78 C ATOM 154 O MET A 17 2.591 -23.376 -1.618 1.00 54.09 O ATOM 155 CB MET A 17 0.408 -22.385 0.823 1.00 71.66 C ATOM 156 CG MET A 17 0.084 -23.874 0.840 1.00 87.03 C ATOM 157 SD MET A 17 -1.577 -24.232 1.472 1.00126.68 S ATOM 158 CE MET A 17 -2.616 -23.495 0.207 1.00 69.20 C ATOM 159 H MET A 17 1.201 -19.992 0.727 1.00 0.00 H ATOM 160 N ILE A 18 0.994 -21.846 -2.110 1.00 63.33 N ATOM 161 CA ILE A 18 0.961 -22.118 -3.548 1.00 61.48 C ATOM 162 C ILE A 18 2.352 -21.989 -4.171 1.00 58.84 C ATOM 163 O ILE A 18 2.785 -22.862 -4.923 1.00 53.59 O ATOM 164 CB ILE A 18 -0.032 -21.170 -4.281 1.00 70.34 C ATOM 165 CG1 ILE A 18 -1.483 -21.521 -3.938 1.00 38.39 C ATOM 166 CG2 ILE A 18 0.174 -21.220 -5.792 1.00 50.90 C ATOM 167 CD1 ILE A 18 -2.486 -20.489 -4.415 1.00 60.29 C ATOM 168 H ILE A 18 0.348 -21.127 -1.726 1.00 0.00 H ATOM 169 N VAL A 19 3.043 -20.901 -3.843 1.00 50.22 N ATOM 170 CA VAL A 19 4.395 -20.656 -4.339 1.00 54.23 C ATOM 171 C VAL A 19 5.341 -21.798 -3.969 1.00 60.50 C ATOM 172 O VAL A 19 6.049 -22.331 -4.829 1.00 61.84 O ATOM 173 CB VAL A 19 4.952 -19.329 -3.794 1.00 60.09 C ATOM 174 CG1 VAL A 19 6.367 -19.087 -4.298 1.00 64.76 C ATOM 175 CG2 VAL A 19 4.039 -18.178 -4.187 1.00 50.43 C ATOM 176 H VAL A 19 2.606 -20.200 -3.211 1.00 0.00 H ATOM 177 N GLU A 20 5.339 -22.178 -2.694 1.00 58.41 N ATOM 178 CA GLU A 20 6.165 -23.292 -2.234 1.00 64.03 C ATOM 179 C GLU A 20 5.851 -24.580 -2.992 1.00 54.95 C ATOM 180 O GLU A 20 6.758 -25.277 -3.445 1.00 63.41 O ATOM 181 CB GLU A 20 5.999 -23.508 -0.728 1.00 68.76 C ATOM 182 CG GLU A 20 6.658 -22.436 0.127 1.00 97.69 C ATOM 183 CD GLU A 20 8.155 -22.333 -0.115 1.00117.55 C ATOM 184 OE1 GLU A 20 8.812 -23.388 -0.253 1.00118.77 O ATOM 185 OE2 GLU A 20 8.675 -21.197 -0.174 1.00118.83 O ATOM 186 H GLU A 20 4.738 -21.673 -2.012 1.00 0.00 H ATOM 187 N LEU A 21 4.565 -24.887 -3.132 1.00 55.37 N ATOM 188 CA LEU A 21 4.136 -26.075 -3.867 1.00 49.27 C ATOM 189 C LEU A 21 4.606 -26.048 -5.323 1.00 48.94 C ATOM 190 O LEU A 21 5.012 -27.073 -5.876 1.00 56.71 O ATOM 191 CB LEU A 21 2.612 -26.216 -3.794 1.00 54.77 C ATOM 192 CG LEU A 21 2.040 -26.489 -2.400 1.00 54.66 C ATOM 193 CD1 LEU A 21 0.525 -26.384 -2.371 1.00 66.98 C ATOM 194 CD2 LEU A 21 2.472 -27.861 -1.930 1.00 54.83 C ATOM 195 H LEU A 21 3.846 -24.266 -2.708 1.00 0.00 H ATOM 196 N ALA A 22 4.558 -24.869 -5.937 1.00 44.16 N ATOM 197 CA ALA A 22 4.993 -24.705 -7.319 1.00 56.83 C ATOM 198 C ALA A 22 6.505 -24.905 -7.451 1.00 55.26 C ATOM 199 O ALA A 22 6.968 -25.585 -8.372 1.00 49.51 O ATOM 200 CB ALA A 22 4.584 -23.344 -7.834 1.00 56.93 C ATOM 201 H ALA A 22 4.201 -24.042 -5.417 1.00 0.00 H ATOM 202 N GLU A 23 7.263 -24.308 -6.532 1.00 56.21 N ATOM 203 CA GLU A 23 8.713 -24.505 -6.460 1.00 60.54 C ATOM 204 C GLU A 23 9.051 -25.987 -6.319 1.00 60.57 C ATOM 205 O GLU A 23 9.948 -26.498 -6.990 1.00 59.98 O ATOM 206 CB GLU A 23 9.298 -23.744 -5.264 1.00 53.41 C ATOM 207 CG GLU A 23 9.209 -22.222 -5.362 1.00 65.05 C ATOM 208 CD GLU A 23 9.475 -21.531 -4.034 1.00 77.62 C ATOM 209 OE1 GLU A 23 9.435 -22.214 -2.989 1.00 78.90 O ATOM 210 OE2 GLU A 23 9.717 -20.303 -4.032 1.00 74.46 O ATOM 211 H GLU A 23 6.808 -23.679 -5.840 1.00 0.00 H ATOM 212 N LYS A 24 8.327 -26.660 -5.428 1.00 59.30 N ATOM 213 CA LYS A 24 8.476 -28.094 -5.185 1.00 58.78 C ATOM 214 C LYS A 24 8.222 -28.895 -6.465 1.00 58.97 C ATOM 215 O LYS A 24 8.966 -29.827 -6.798 1.00 63.28 O ATOM 216 CB LYS A 24 7.508 -28.514 -4.075 1.00 57.31 C ATOM 217 CG LYS A 24 7.786 -29.865 -3.438 1.00 71.02 C ATOM 218 CD LYS A 24 7.167 -29.948 -2.041 1.00 78.75 C ATOM 219 CE LYS A 24 7.717 -28.855 -1.127 1.00 80.27 C ATOM 220 NZ LYS A 24 7.177 -28.932 0.262 1.00 92.08 N ATOM 221 HZ1 LYS A 24 6.142 -28.833 0.236 1.00 0.00 H ATOM 222 HZ2 LYS A 24 7.428 -29.851 0.680 1.00 0.00 H ATOM 223 HZ3 LYS A 24 7.586 -28.166 0.835 1.00 0.00 H ATOM 224 H LYS A 24 7.617 -26.138 -4.875 1.00 0.00 H ATOM 225 N THR A 25 7.176 -28.511 -7.189 1.00 59.16 N ATOM 226 CA THR A 25 6.854 -29.143 -8.463 1.00 62.10 C ATOM 227 C THR A 25 7.995 -28.975 -9.460 1.00 56.82 C ATOM 228 O THR A 25 8.446 -29.945 -10.065 1.00 70.01 O ATOM 229 CB THR A 25 5.575 -28.548 -9.072 1.00 57.00 C ATOM 230 OG1 THR A 25 4.521 -28.584 -8.103 1.00 59.96 O ATOM 231 CG2 THR A 25 5.155 -29.332 -10.300 1.00 43.01 C ATOM 232 HG1 THR A 25 4.786 -28.055 -7.309 1.00 0.00 H ATOM 233 H THR A 25 6.572 -27.740 -6.838 1.00 0.00 H ATOM 234 N MET A 26 8.466 -27.743 -9.620 1.00 53.04 N ATOM 235 CA MET A 26 9.510 -27.451 -10.598 1.00 62.70 C ATOM 236 C MET A 26 10.838 -28.133 -10.275 1.00 65.61 C ATOM 237 O MET A 26 11.516 -28.634 -11.178 1.00 55.16 O ATOM 238 CB MET A 26 9.705 -25.945 -10.740 1.00 67.12 C ATOM 239 CG MET A 26 8.439 -25.218 -11.141 1.00 70.97 C ATOM 240 SD MET A 26 8.754 -23.596 -11.842 1.00 73.42 S ATOM 241 CE MET A 26 9.589 -24.071 -13.353 1.00 60.24 C ATOM 242 H MET A 26 8.083 -26.971 -9.037 1.00 0.00 H ATOM 243 N LYS A 27 11.210 -28.140 -8.996 1.00 55.86 N ATOM 244 CA LYS A 27 12.372 -28.896 -8.537 1.00 69.54 C ATOM 245 C LYS A 27 12.201 -30.358 -8.923 1.00 78.50 C ATOM 246 O LYS A 27 13.094 -30.960 -9.521 1.00 69.64 O ATOM 247 CB LYS A 27 12.522 -28.799 -7.017 1.00 61.60 C ATOM 248 CG LYS A 27 13.036 -27.466 -6.496 1.00 76.87 C ATOM 249 CD LYS A 27 12.999 -27.450 -4.973 1.00 84.34 C ATOM 250 CE LYS A 27 13.321 -26.076 -4.405 1.00 95.83 C ATOM 251 NZ LYS A 27 12.934 -25.980 -2.965 1.00 88.79 N ATOM 252 HZ1 LYS A 27 11.912 -26.147 -2.870 1.00 0.00 H ATOM 253 HZ2 LYS A 27 13.455 -26.695 -2.419 1.00 0.00 H ATOM 254 HZ3 LYS A 27 13.166 -25.031 -2.607 1.00 0.00 H ATOM 255 H LYS A 27 10.658 -27.592 -8.306 1.00 0.00 H ATOM 256 N GLU A 28 11.041 -30.915 -8.585 1.00 65.77 N ATOM 257 CA GLU A 28 10.742 -32.316 -8.868 1.00 67.76 C ATOM 258 C GLU A 28 10.893 -32.682 -10.350 1.00 72.29 C ATOM 259 O GLU A 28 11.352 -33.776 -10.679 1.00 83.10 O ATOM 260 CB GLU A 28 9.334 -32.659 -8.374 1.00 76.11 C ATOM 261 CG GLU A 28 8.979 -34.134 -8.445 1.00 88.85 C ATOM 262 CD GLU A 28 7.649 -34.445 -7.782 1.00104.49 C ATOM 263 OE1 GLU A 28 6.823 -33.520 -7.628 1.00102.32 O ATOM 264 OE2 GLU A 28 7.433 -35.617 -7.408 1.00 97.02 O ATOM 265 H GLU A 28 10.325 -30.334 -8.104 1.00 0.00 H ATOM 266 N TYR A 29 10.517 -31.768 -11.240 1.00 72.86 N ATOM 267 CA TYR A 29 10.584 -32.040 -12.675 1.00 72.95 C ATOM 268 C TYR A 29 11.870 -31.491 -13.305 1.00 78.58 C ATOM 269 O TYR A 29 12.036 -31.508 -14.528 1.00 67.97 O ATOM 270 CB TYR A 29 9.328 -31.518 -13.390 1.00 72.39 C ATOM 271 CG TYR A 29 8.073 -32.299 -13.040 1.00 84.88 C ATOM 272 CD1 TYR A 29 7.557 -33.254 -13.909 1.00 88.88 C ATOM 273 CD2 TYR A 29 7.415 -32.094 -11.832 1.00 90.63 C ATOM 274 CE1 TYR A 29 6.416 -33.976 -13.585 1.00 95.91 C ATOM 275 CE2 TYR A 29 6.277 -32.810 -11.499 1.00 89.60 C ATOM 276 CZ TYR A 29 5.781 -33.749 -12.378 1.00102.20 C ATOM 277 OH TYR A 29 4.649 -34.461 -12.047 1.00 95.24 O ATOM 278 HH TYR A 29 4.429 -35.088 -12.781 1.00 0.00 H ATOM 279 H TYR A 29 10.170 -30.845 -10.910 1.00 0.00 H ATOM 280 N GLY A 30 12.781 -31.020 -12.457 1.00 78.92 N ATOM 281 CA GLY A 30 14.092 -30.580 -12.906 1.00 74.90 C ATOM 282 C GLY A 30 14.138 -29.218 -13.576 1.00 76.01 C ATOM 283 O GLY A 30 15.147 -28.853 -14.178 1.00 88.99 O ATOM 284 H GLY A 30 12.549 -30.965 -11.445 1.00 0.00 H ATOM 285 N GLU A 31 13.053 -28.459 -13.468 1.00 78.67 N ATOM 286 CA GLU A 31 12.986 -27.140 -14.087 1.00 61.55 C ATOM 287 C GLU A 31 13.450 -26.051 -13.123 1.00 65.87 C ATOM 288 O GLU A 31 13.180 -26.118 -11.919 1.00 53.85 O ATOM 289 CB GLU A 31 11.562 -26.855 -14.565 1.00 76.97 C ATOM 290 CG GLU A 31 10.918 -28.019 -15.314 1.00 85.84 C ATOM 291 CD GLU A 31 9.515 -27.702 -15.806 1.00110.69 C ATOM 292 OE1 GLU A 31 8.644 -28.599 -15.747 1.00 99.67 O ATOM 293 OE2 GLU A 31 9.284 -26.561 -16.261 1.00116.39 O ATOM 294 H GLU A 31 12.235 -28.812 -12.931 1.00 0.00 H ATOM 295 N ASP A 32 14.153 -25.051 -13.651 1.00 66.86 N ATOM 296 CA ASP A 32 14.617 -23.930 -12.835 1.00 65.02 C ATOM 297 C ASP A 32 13.675 -22.737 -12.962 1.00 59.11 C ATOM 298 O ASP A 32 13.521 -22.170 -14.047 1.00 62.14 O ATOM 299 CB ASP A 32 16.041 -23.523 -13.228 1.00 64.09 C ATOM 300 CG ASP A 32 16.590 -22.397 -12.365 1.00 71.14 C ATOM 301 OD1 ASP A 32 16.231 -22.305 -11.168 1.00 66.58 O ATOM 302 OD2 ASP A 32 17.389 -21.598 -12.889 1.00 87.94 O ATOM 303 H ASP A 32 14.377 -25.068 -14.666 1.00 0.00 H ATOM 304 N LEU A 33 13.051 -22.363 -11.846 1.00 54.79 N ATOM 305 CA LEU A 33 12.082 -21.272 -11.829 1.00 62.80 C ATOM 306 C LEU A 33 12.731 -19.929 -12.173 1.00 69.10 C ATOM 307 O LEU A 33 12.076 -19.038 -12.717 1.00 64.72 O ATOM 308 CB LEU A 33 11.361 -21.206 -10.472 1.00 50.02 C ATOM 309 CG LEU A 33 12.127 -20.776 -9.213 1.00 59.24 C ATOM 310 CD1 LEU A 33 12.047 -19.272 -8.999 1.00 59.55 C ATOM 311 CD2 LEU A 33 11.617 -21.505 -7.977 1.00 49.50 C ATOM 312 H LEU A 33 13.261 -22.864 -10.959 1.00 0.00 H ATOM 313 N LYS A 34 14.018 -19.794 -11.856 1.00 67.87 N ATOM 314 CA LYS A 34 14.761 -18.559 -12.111 1.00 54.71 C ATOM 315 C LYS A 34 14.822 -18.209 -13.604 1.00 56.89 C ATOM 316 O LYS A 34 14.993 -17.044 -13.965 1.00 53.58 O ATOM 317 CB LYS A 34 16.179 -18.671 -11.546 1.00 66.94 C ATOM 318 CG LYS A 34 16.515 -17.658 -10.460 1.00 65.74 C ATOM 319 CD LYS A 34 15.697 -17.885 -9.206 1.00 59.88 C ATOM 320 CE LYS A 34 15.991 -16.820 -8.155 1.00 80.37 C ATOM 321 NZ LYS A 34 15.722 -15.427 -8.639 1.00 67.14 N ATOM 322 HZ1 LYS A 34 16.319 -15.227 -9.467 1.00 0.00 H ATOM 323 HZ2 LYS A 34 14.720 -15.341 -8.904 1.00 0.00 H ATOM 324 HZ3 LYS A 34 15.941 -14.750 -7.881 1.00 0.00 H ATOM 325 H LYS A 34 14.512 -20.594 -11.412 1.00 0.00 H ATOM 326 N ILE A 35 14.687 -19.223 -14.458 1.00 43.60 N ATOM 327 CA ILE A 35 14.683 -19.039 -15.907 1.00 43.61 C ATOM 328 C ILE A 35 13.283 -19.264 -16.494 1.00 62.93 C ATOM 329 O ILE A 35 12.776 -18.434 -17.251 1.00 63.99 O ATOM 330 CB ILE A 35 15.681 -20.004 -16.583 1.00 56.86 C ATOM 331 CG1 ILE A 35 17.113 -19.669 -16.157 1.00 60.83 C ATOM 332 CG2 ILE A 35 15.537 -19.967 -18.102 1.00 51.36 C ATOM 333 CD1 ILE A 35 18.168 -20.537 -16.807 1.00 63.27 C ATOM 334 H ILE A 35 14.580 -20.185 -14.077 1.00 0.00 H ATOM 335 N GLU A 36 12.670 -20.391 -16.138 1.00 55.66 N ATOM 336 CA GLU A 36 11.324 -20.726 -16.599 1.00 64.25 C ATOM 337 C GLU A 36 10.263 -20.046 -15.728 1.00 59.69 C ATOM 338 O GLU A 36 9.485 -20.717 -15.046 1.00 58.04 O ATOM 339 CB GLU A 36 11.114 -22.245 -16.577 1.00 64.64 C ATOM 340 CG GLU A 36 12.036 -23.032 -17.504 1.00 55.34 C ATOM 341 CD GLU A 36 11.569 -23.013 -18.943 1.00 89.27 C ATOM 342 OE1 GLU A 36 10.470 -22.479 -19.201 1.00103.94 O ATOM 343 OE2 GLU A 36 12.297 -23.532 -19.816 1.00118.71 O ATOM 344 H GLU A 36 13.166 -21.056 -15.510 1.00 0.00 H ATOM 345 N THR A 37 10.233 -18.716 -15.766 1.00 45.24 N ATOM 346 CA THR A 37 9.355 -17.925 -14.904 1.00 50.37 C ATOM 347 C THR A 37 7.886 -17.984 -15.335 1.00 53.35 C ATOM 348 O THR A 37 6.980 -17.988 -14.493 1.00 48.44 O ATOM 349 CB THR A 37 9.811 -16.452 -14.844 1.00 51.10 C ATOM 350 OG1 THR A 37 10.148 -16.001 -16.162 1.00 64.83 O ATOM 351 CG2 THR A 37 11.027 -16.308 -13.960 1.00 50.08 C ATOM 352 HG1 THR A 37 10.440 -15.056 -16.121 1.00 0.00 H ATOM 353 H THR A 37 10.857 -18.220 -16.434 1.00 0.00 H ATOM 354 N ASN A 38 7.651 -18.029 -16.643 1.00 36.55 N ATOM 355 CA ASN A 38 6.294 -18.158 -17.144 1.00 48.21 C ATOM 356 C ASN A 38 5.688 -19.498 -16.733 1.00 54.11 C ATOM 357 O ASN A 38 4.516 -19.563 -16.352 1.00 53.49 O ATOM 358 CB ASN A 38 6.248 -17.968 -18.666 1.00 46.26 C ATOM 359 CG ASN A 38 6.430 -16.508 -19.088 1.00 48.99 C ATOM 360 OD1 ASN A 38 6.200 -15.582 -18.308 1.00 52.39 O ATOM 361 ND2 ASN A 38 6.839 -16.303 -20.332 1.00 65.44 N ATOM 362 HD22 ASN A 38 7.022 -17.112 -20.959 1.00 0.00 H ATOM 363 HD21 ASN A 38 6.977 -15.333 -20.681 1.00 0.00 H ATOM 364 H ASN A 38 8.445 -17.971 -17.312 1.00 0.00 H ATOM 365 N LYS A 39 6.494 -20.558 -16.800 1.00 43.04 N ATOM 366 CA LYS A 39 6.051 -21.891 -16.391 1.00 48.84 C ATOM 367 C LYS A 39 5.714 -21.887 -14.906 1.00 52.30 C ATOM 368 O LYS A 39 4.720 -22.475 -14.492 1.00 50.89 O ATOM 369 CB LYS A 39 7.126 -22.941 -16.692 1.00 53.73 C ATOM 370 CG LYS A 39 6.691 -24.390 -16.463 1.00 65.64 C ATOM 371 CD LYS A 39 5.475 -24.743 -17.316 1.00 82.02 C ATOM 372 CE LYS A 39 5.002 -26.181 -17.100 1.00 84.38 C ATOM 373 NZ LYS A 39 5.813 -27.178 -17.855 1.00 79.07 N ATOM 374 HZ1 LYS A 39 5.752 -26.973 -18.873 1.00 0.00 H ATOM 375 HZ2 LYS A 39 6.805 -27.121 -17.547 1.00 0.00 H ATOM 376 HZ3 LYS A 39 5.446 -28.133 -17.670 1.00 0.00 H ATOM 377 H LYS A 39 7.464 -20.434 -17.153 1.00 0.00 H ATOM 378 N PHE A 40 6.551 -21.210 -14.122 1.00 41.83 N ATOM 379 CA PHE A 40 6.356 -21.024 -12.682 1.00 51.24 C ATOM 380 C PHE A 40 4.992 -20.383 -12.407 1.00 51.36 C ATOM 381 O PHE A 40 4.205 -20.863 -11.570 1.00 45.00 O ATOM 382 CB PHE A 40 7.483 -20.128 -12.147 1.00 41.90 C ATOM 383 CG PHE A 40 7.484 -19.951 -10.656 1.00 46.31 C ATOM 384 CD1 PHE A 40 7.056 -20.969 -9.815 1.00 36.16 C ATOM 385 CD2 PHE A 40 7.926 -18.758 -10.093 1.00 45.94 C ATOM 386 CE1 PHE A 40 7.068 -20.797 -8.440 1.00 45.40 C ATOM 387 CE2 PHE A 40 7.941 -18.578 -8.718 1.00 42.86 C ATOM 388 CZ PHE A 40 7.508 -19.599 -7.892 1.00 54.54 C ATOM 389 H PHE A 40 7.395 -20.787 -14.559 1.00 0.00 H ATOM 390 N ALA A 41 4.721 -19.298 -13.127 1.00 37.85 N ATOM 391 CA ALA A 41 3.446 -18.597 -13.011 1.00 48.87 C ATOM 392 C ALA A 41 2.270 -19.505 -13.375 1.00 39.92 C ATOM 393 O ALA A 41 1.260 -19.550 -12.669 1.00 43.64 O ATOM 394 CB ALA A 41 3.452 -17.357 -13.884 1.00 33.08 C ATOM 395 H ALA A 41 5.437 -18.939 -13.791 1.00 0.00 H ATOM 396 N ALA A 42 2.409 -20.227 -14.482 1.00 31.72 N ATOM 397 CA ALA A 42 1.368 -21.144 -14.932 1.00 36.29 C ATOM 398 C ALA A 42 1.084 -22.241 -13.905 1.00 42.94 C ATOM 399 O ALA A 42 -0.072 -22.594 -13.672 1.00 41.38 O ATOM 400 CB ALA A 42 1.741 -21.749 -16.275 1.00 27.33 C ATOM 401 H ALA A 42 3.281 -20.136 -15.041 1.00 0.00 H ATOM 402 N ILE A 43 2.139 -22.783 -13.302 1.00 43.64 N ATOM 403 CA ILE A 43 1.984 -23.820 -12.284 1.00 44.41 C ATOM 404 C ILE A 43 1.260 -23.260 -11.060 1.00 45.51 C ATOM 405 O ILE A 43 0.355 -23.914 -10.513 1.00 37.64 O ATOM 406 CB ILE A 43 3.336 -24.451 -11.890 1.00 49.20 C ATOM 407 CG1 ILE A 43 3.888 -25.279 -13.050 1.00 46.61 C ATOM 408 CG2 ILE A 43 3.177 -25.344 -10.669 1.00 35.17 C ATOM 409 CD1 ILE A 43 5.352 -25.641 -12.912 1.00 46.89 C ATOM 410 H ILE A 43 3.094 -22.462 -13.561 1.00 0.00 H ATOM 411 N CYS A 44 1.637 -22.050 -10.644 1.00 40.92 N ATOM 412 CA CYS A 44 0.898 -21.386 -9.568 1.00 40.14 C ATOM 413 C CYS A 44 -0.590 -21.260 -9.906 1.00 48.67 C ATOM 414 O CYS A 44 -1.456 -21.619 -9.093 1.00 42.85 O ATOM 415 CB CYS A 44 1.485 -20.011 -9.261 1.00 49.77 C ATOM 416 SG CYS A 44 3.114 -20.066 -8.470 1.00 53.00 S ATOM 417 H CYS A 44 2.454 -21.579 -11.083 1.00 0.00 H ATOM 418 N THR A 45 -0.876 -20.771 -11.113 1.00 44.97 N ATOM 419 CA THR A 45 -2.255 -20.564 -11.558 1.00 37.90 C ATOM 420 C THR A 45 -3.062 -21.856 -11.532 1.00 44.53 C ATOM 421 O THR A 45 -4.179 -21.901 -10.998 1.00 36.13 O ATOM 422 CB THR A 45 -2.296 -19.997 -12.979 1.00 40.63 C ATOM 423 OG1 THR A 45 -1.669 -18.708 -12.996 1.00 44.45 O ATOM 424 CG2 THR A 45 -3.733 -19.855 -13.455 1.00 37.12 C ATOM 425 HG1 THR A 45 -0.728 -18.796 -12.702 1.00 0.00 H ATOM 426 H THR A 45 -0.096 -20.530 -11.757 1.00 0.00 H ATOM 427 N HIS A 46 -2.490 -22.905 -12.113 1.00 32.47 N ATOM 428 CA HIS A 46 -3.159 -24.192 -12.189 1.00 37.32 C ATOM 429 C HIS A 46 -3.431 -24.742 -10.788 1.00 46.10 C ATOM 430 O HIS A 46 -4.531 -25.243 -10.511 1.00 39.78 O ATOM 431 CB HIS A 46 -2.317 -25.159 -13.013 1.00 28.22 C ATOM 432 CG HIS A 46 -2.850 -26.555 -13.045 1.00 36.75 C ATOM 433 ND1 HIS A 46 -2.442 -27.525 -12.156 1.00 46.37 N ATOM 434 CD2 HIS A 46 -3.745 -27.149 -13.868 1.00 43.33 C ATOM 435 CE1 HIS A 46 -3.068 -28.656 -12.426 1.00 48.60 C ATOM 436 NE2 HIS A 46 -3.863 -28.456 -13.461 1.00 40.84 N ATOM 437 H HIS A 46 -1.540 -22.802 -12.523 1.00 0.00 H ATOM 438 N LEU A 47 -2.439 -24.627 -9.906 1.00 38.84 N ATOM 439 CA LEU A 47 -2.613 -25.046 -8.516 1.00 38.10 C ATOM 440 C LEU A 47 -3.780 -24.314 -7.858 1.00 46.38 C ATOM 441 O LEU A 47 -4.673 -24.942 -7.270 1.00 42.30 O ATOM 442 CB LEU A 47 -1.334 -24.808 -7.719 1.00 36.78 C ATOM 443 CG LEU A 47 -0.227 -25.850 -7.861 1.00 58.79 C ATOM 444 CD1 LEU A 47 1.095 -25.313 -7.337 1.00 59.64 C ATOM 445 CD2 LEU A 47 -0.607 -27.125 -7.125 1.00 55.62 C ATOM 446 H LEU A 47 -1.526 -24.233 -10.211 1.00 0.00 H ATOM 447 N GLU A 48 -3.778 -22.988 -7.966 1.00 37.22 N ATOM 448 CA GLU A 48 -4.836 -22.187 -7.363 1.00 44.08 C ATOM 449 C GLU A 48 -6.217 -22.560 -7.907 1.00 37.53 C ATOM 450 O GLU A 48 -7.184 -22.643 -7.150 1.00 41.62 O ATOM 451 CB GLU A 48 -4.558 -20.692 -7.547 1.00 46.33 C ATOM 452 CG GLU A 48 -5.347 -19.796 -6.594 1.00 47.39 C ATOM 453 CD GLU A 48 -4.815 -18.373 -6.539 1.00 68.53 C ATOM 454 OE1 GLU A 48 -4.452 -17.820 -7.598 1.00 69.53 O ATOM 455 OE2 GLU A 48 -4.759 -17.805 -5.427 1.00 98.58 O ATOM 456 H GLU A 48 -3.011 -22.517 -8.488 1.00 0.00 H ATOM 457 N VAL A 49 -6.308 -22.803 -9.212 1.00 39.18 N ATOM 458 CA VAL A 49 -7.587 -23.185 -9.809 1.00 37.97 C ATOM 459 C VAL A 49 -8.057 -24.538 -9.281 1.00 36.68 C ATOM 460 O VAL A 49 -9.233 -24.707 -8.964 1.00 38.72 O ATOM 461 CB VAL A 49 -7.531 -23.177 -11.349 1.00 32.35 C ATOM 462 CG1 VAL A 49 -8.782 -23.789 -11.938 1.00 26.35 C ATOM 463 CG2 VAL A 49 -7.368 -21.759 -11.852 1.00 29.19 C ATOM 464 H VAL A 49 -5.463 -22.721 -9.812 1.00 0.00 H ATOM 465 N CYS A 50 -7.140 -25.494 -9.166 1.00 32.89 N ATOM 466 CA CYS A 50 -7.491 -26.782 -8.576 1.00 40.26 C ATOM 467 C CYS A 50 -8.013 -26.622 -7.147 1.00 49.72 C ATOM 468 O CYS A 50 -9.023 -27.238 -6.762 1.00 37.88 O ATOM 469 CB CYS A 50 -6.287 -27.717 -8.582 1.00 39.35 C ATOM 470 SG CYS A 50 -5.832 -28.297 -10.237 1.00 43.65 S ATOM 471 H CYS A 50 -6.169 -25.323 -9.498 1.00 0.00 H ATOM 472 N PHE A 51 -7.335 -25.784 -6.365 1.00 38.60 N ATOM 473 CA PHE A 51 -7.735 -25.595 -4.977 1.00 33.70 C ATOM 474 C PHE A 51 -9.091 -24.900 -4.866 1.00 44.03 C ATOM 475 O PHE A 51 -9.925 -25.313 -4.067 1.00 38.42 O ATOM 476 CB PHE A 51 -6.659 -24.852 -4.189 1.00 41.81 C ATOM 477 CG PHE A 51 -5.395 -25.647 -3.995 1.00 48.15 C ATOM 478 CD1 PHE A 51 -5.382 -27.019 -4.193 1.00 61.91 C ATOM 479 CD2 PHE A 51 -4.218 -25.017 -3.617 1.00 61.01 C ATOM 480 CE1 PHE A 51 -4.216 -27.751 -4.020 1.00 59.11 C ATOM 481 CE2 PHE A 51 -3.052 -25.740 -3.441 1.00 61.92 C ATOM 482 CZ PHE A 51 -3.051 -27.111 -3.642 1.00 59.88 C ATOM 483 H PHE A 51 -6.519 -25.264 -6.746 1.00 0.00 H ATOM 484 N MET A 52 -9.320 -23.864 -5.671 1.00 38.55 N ATOM 485 CA MET A 52 -10.627 -23.207 -5.704 1.00 42.14 C ATOM 486 C MET A 52 -11.734 -24.175 -6.140 1.00 48.38 C ATOM 487 O MET A 52 -12.852 -24.137 -5.612 1.00 47.38 O ATOM 488 CB MET A 52 -10.596 -21.990 -6.628 1.00 35.16 C ATOM 489 CG MET A 52 -9.667 -20.885 -6.150 1.00 42.63 C ATOM 490 SD MET A 52 -9.665 -19.438 -7.228 1.00 50.15 S ATOM 491 CE MET A 52 -11.274 -18.741 -6.867 1.00 37.47 C ATOM 492 H MET A 52 -8.557 -23.516 -6.286 1.00 0.00 H ATOM 493 N TYR A 53 -11.410 -25.044 -7.097 1.00 41.50 N ATOM 494 CA TYR A 53 -12.352 -26.033 -7.618 1.00 42.89 C ATOM 495 C TYR A 53 -12.755 -26.985 -6.500 1.00 45.50 C ATOM 496 O TYR A 53 -13.939 -27.270 -6.322 1.00 42.71 O ATOM 497 CB TYR A 53 -11.703 -26.816 -8.764 1.00 33.42 C ATOM 498 CG TYR A 53 -12.658 -27.425 -9.776 1.00 34.48 C ATOM 499 CD1 TYR A 53 -13.329 -28.615 -9.512 1.00 38.02 C ATOM 500 CD2 TYR A 53 -12.849 -26.828 -11.015 1.00 36.98 C ATOM 501 CE1 TYR A 53 -14.181 -29.177 -10.451 1.00 40.12 C ATOM 502 CE2 TYR A 53 -13.693 -27.377 -11.952 1.00 36.07 C ATOM 503 CZ TYR A 53 -14.355 -28.549 -11.668 1.00 38.48 C ATOM 504 OH TYR A 53 -15.198 -29.085 -12.619 1.00 34.11 O ATOM 505 HH TYR A 53 -14.683 -29.282 -13.441 1.00 0.00 H ATOM 506 H TYR A 53 -10.447 -25.017 -7.489 1.00 0.00 H ATOM 507 N SER A 54 -11.768 -27.469 -5.751 1.00 38.75 N ATOM 508 CA SER A 54 -12.025 -28.312 -4.585 1.00 43.52 C ATOM 509 C SER A 54 -12.847 -27.566 -3.533 1.00 49.99 C ATOM 510 O SER A 54 -13.804 -28.107 -2.975 1.00 43.03 O ATOM 511 CB SER A 54 -10.696 -28.761 -3.971 1.00 45.30 C ATOM 512 OG SER A 54 -10.902 -29.468 -2.763 1.00 65.52 O ATOM 513 HG SER A 54 -10.027 -29.745 -2.391 1.00 0.00 H ATOM 514 H SER A 54 -10.785 -27.241 -6.002 1.00 0.00 H ATOM 515 N ASP A 55 -12.463 -26.319 -3.280 1.00 42.17 N ATOM 516 CA ASP A 55 -13.076 -25.473 -2.258 1.00 44.60 C ATOM 517 C ASP A 55 -14.546 -25.159 -2.558 1.00 53.44 C ATOM 518 O ASP A 55 -15.319 -24.879 -1.646 1.00 58.35 O ATOM 519 CB ASP A 55 -12.282 -24.166 -2.131 1.00 47.66 C ATOM 520 CG ASP A 55 -12.297 -23.598 -0.721 1.00 77.81 C ATOM 521 OD1 ASP A 55 -12.000 -24.350 0.232 1.00 93.43 O ATOM 522 OD2 ASP A 55 -12.599 -22.395 -0.565 1.00 92.26 O ATOM 523 H ASP A 55 -11.682 -25.923 -3.841 1.00 0.00 H ATOM 524 N ALA A 56 -14.932 -25.199 -3.831 1.00 54.50 N ATOM 525 CA ALA A 56 -16.312 -24.899 -4.213 1.00 48.51 C ATOM 526 C ALA A 56 -17.329 -25.859 -3.584 1.00 46.01 C ATOM 527 O ALA A 56 -18.507 -25.522 -3.445 1.00 57.28 O ATOM 528 CB ALA A 56 -16.450 -24.894 -5.727 1.00 51.09 C ATOM 529 H ALA A 56 -14.241 -25.448 -4.567 1.00 0.00 H ATOM 530 N SER A 57 -16.867 -27.051 -3.214 1.00 51.20 N ATOM 531 CA SER A 57 -17.711 -28.056 -2.571 1.00 49.59 C ATOM 532 C SER A 57 -16.860 -29.008 -1.723 1.00 51.72 C ATOM 533 O SER A 57 -16.499 -30.101 -2.164 1.00 55.00 O ATOM 534 CB SER A 57 -18.513 -28.834 -3.617 1.00 57.58 C ATOM 535 OG SER A 57 -19.213 -29.921 -3.034 1.00 64.41 O ATOM 536 HG SER A 57 -18.566 -30.540 -2.611 1.00 0.00 H ATOM 537 H SER A 57 -15.867 -27.276 -3.389 1.00 0.00 H ATOM 538 N LYS A 58 -16.541 -28.579 -0.502 1.00 55.68 N ATOM 539 CA LYS A 58 -15.696 -29.359 0.412 1.00 71.90 C ATOM 540 C LYS A 58 -16.362 -30.692 0.761 1.00 67.70 C ATOM 541 O LYS A 58 -17.606 -30.784 0.753 1.00 61.54 O ATOM 542 CB LYS A 58 -15.434 -28.561 1.697 1.00 78.11 C ATOM 543 CG LYS A 58 -14.650 -27.232 1.477 1.00 75.50 C ATOM 544 CD LYS A 58 -14.738 -26.340 2.740 1.00 86.61 C ATOM 545 CE LYS A 58 -13.858 -25.072 2.606 1.00 84.74 C ATOM 546 NZ LYS A 58 -14.628 -23.879 2.050 1.00 74.00 N ATOM 547 HZ1 LYS A 58 -14.995 -24.114 1.106 1.00 0.00 H ATOM 548 HZ2 LYS A 58 -15.420 -23.653 2.685 1.00 0.00 H ATOM 549 HZ3 LYS A 58 -13.992 -23.059 1.981 1.00 0.00 H ATOM 550 H LYS A 58 -16.904 -27.658 -0.185 1.00 0.00 H ATOM 551 N HIS A 59 -15.541 -31.705 1.048 1.00 57.32 N ATOM 552 CA HIS A 59 -15.997 -33.074 1.326 1.00 78.45 C ATOM 553 C HIS A 59 -16.440 -33.829 0.067 1.00 63.41 C ATOM 554 O HIS A 59 -16.839 -34.992 0.142 1.00 68.27 O ATOM 555 CB HIS A 59 -17.088 -33.116 2.412 1.00 81.48 C ATOM 556 CG HIS A 59 -17.169 -34.423 3.135 1.00100.76 C ATOM 557 ND1 HIS A 59 -18.161 -35.351 2.894 1.00109.02 N ATOM 558 CD2 HIS A 59 -16.377 -34.962 4.094 1.00101.04 C ATOM 559 CE1 HIS A 59 -17.976 -36.403 3.671 1.00 97.31 C ATOM 560 NE2 HIS A 59 -16.901 -36.192 4.410 1.00 96.31 N ATOM 561 H HIS A 59 -14.519 -31.514 1.076 1.00 0.00 H ATOM 562 N ARG A 60 -16.367 -33.171 -1.087 1.00 55.09 N ATOM 563 CA ARG A 60 -16.705 -33.825 -2.351 1.00 52.17 C ATOM 564 C ARG A 60 -15.464 -34.283 -3.113 1.00 51.95 C ATOM 565 O ARG A 60 -15.456 -35.359 -3.722 1.00 46.95 O ATOM 566 CB ARG A 60 -17.535 -32.899 -3.242 1.00 46.01 C ATOM 567 CG ARG A 60 -17.835 -33.487 -4.613 1.00 47.20 C ATOM 568 CD ARG A 60 -18.831 -32.644 -5.384 1.00 37.07 C ATOM 569 NE ARG A 60 -19.046 -33.171 -6.728 1.00 53.41 N ATOM 570 CZ ARG A 60 -19.929 -32.675 -7.588 1.00 56.42 C ATOM 571 NH1 ARG A 60 -20.686 -31.639 -7.241 1.00 47.62 N ATOM 572 NH2 ARG A 60 -20.060 -33.217 -8.793 1.00 48.94 N ATOM 573 HE ARG A 60 -18.473 -33.984 -7.031 1.00 0.00 H ATOM 574 HH12 ARG A 60 -21.377 -31.251 -7.915 1.00 0.00 H ATOM 575 HH11 ARG A 60 -20.587 -31.216 -6.296 1.00 0.00 H ATOM 576 HH22 ARG A 60 -20.751 -32.828 -9.466 1.00 0.00 H ATOM 577 HH21 ARG A 60 -19.471 -34.030 -9.064 1.00 0.00 H ATOM 578 H ARG A 60 -16.065 -32.176 -1.090 1.00 0.00 H ATOM 579 N PHE A 61 -14.413 -33.469 -3.072 1.00 45.11 N ATOM 580 CA PHE A 61 -13.244 -33.717 -3.904 1.00 44.29 C ATOM 581 C PHE A 61 -12.001 -34.123 -3.115 1.00 52.96 C ATOM 582 O PHE A 61 -11.659 -33.498 -2.108 1.00 51.11 O ATOM 583 CB PHE A 61 -12.924 -32.475 -4.736 1.00 44.18 C ATOM 584 CG PHE A 61 -14.065 -31.996 -5.589 1.00 47.08 C ATOM 585 CD1 PHE A 61 -14.438 -32.695 -6.729 1.00 43.41 C ATOM 586 CD2 PHE A 61 -14.741 -30.826 -5.269 1.00 44.37 C ATOM 587 CE1 PHE A 61 -15.481 -32.248 -7.521 1.00 43.75 C ATOM 588 CE2 PHE A 61 -15.784 -30.371 -6.058 1.00 46.63 C ATOM 589 CZ PHE A 61 -16.156 -31.082 -7.183 1.00 40.03 C ATOM 590 H PHE A 61 -14.426 -32.645 -2.438 1.00 0.00 H ATOM 591 N GLU A 62 -11.316 -35.165 -3.577 1.00 43.53 N ATOM 592 CA GLU A 62 -9.973 -35.425 -3.073 1.00 44.91 C ATOM 593 C GLU A 62 -8.984 -34.688 -3.968 1.00 49.34 C ATOM 594 O GLU A 62 -9.079 -34.758 -5.193 1.00 49.29 O ATOM 595 CB GLU A 62 -9.658 -36.920 -3.057 1.00 41.48 C ATOM 596 CG GLU A 62 -8.407 -37.269 -2.252 1.00 49.34 C ATOM 597 CD GLU A 62 -8.556 -36.942 -0.769 1.00 70.61 C ATOM 598 OE1 GLU A 62 -9.501 -37.460 -0.130 1.00 58.02 O ATOM 599 OE2 GLU A 62 -7.728 -36.164 -0.245 1.00 63.56 O ATOM 600 H GLU A 62 -11.736 -35.791 -4.294 1.00 0.00 H ATOM 601 N ILE A 63 -8.047 -33.968 -3.363 1.00 42.17 N ATOM 602 CA ILE A 63 -7.032 -33.252 -4.128 1.00 44.98 C ATOM 603 C ILE A 63 -5.812 -34.138 -4.411 1.00 46.85 C ATOM 604 O ILE A 63 -5.196 -34.680 -3.491 1.00 45.62 O ATOM 605 CB ILE A 63 -6.611 -31.955 -3.407 1.00 47.33 C ATOM 606 CG1 ILE A 63 -7.838 -31.078 -3.151 1.00 46.40 C ATOM 607 CG2 ILE A 63 -5.589 -31.191 -4.227 1.00 47.61 C ATOM 608 CD1 ILE A 63 -7.562 -29.865 -2.292 1.00 57.56 C ATOM 609 H ILE A 63 -8.036 -33.913 -2.324 1.00 0.00 H ATOM 610 N ILE A 64 -5.488 -34.297 -5.693 1.00 45.43 N ATOM 611 CA ILE A 64 -4.303 -35.043 -6.110 1.00 47.64 C ATOM 612 C ILE A 64 -3.153 -34.069 -6.401 1.00 53.96 C ATOM 613 O ILE A 64 -2.039 -34.233 -5.895 1.00 50.85 O ATOM 614 CB ILE A 64 -4.590 -35.902 -7.366 1.00 52.44 C ATOM 615 CG1 ILE A 64 -5.931 -36.635 -7.245 1.00 45.92 C ATOM 616 CG2 ILE A 64 -3.445 -36.879 -7.635 1.00 50.90 C ATOM 617 CD1 ILE A 64 -5.991 -37.642 -6.116 1.00 52.03 C ATOM 618 H ILE A 64 -6.099 -33.876 -6.422 1.00 0.00 H ATOM 619 N GLU A 65 -3.443 -33.051 -7.210 1.00 55.57 N ATOM 620 CA GLU A 65 -2.470 -32.021 -7.580 1.00 51.03 C ATOM 621 C GLU A 65 -1.873 -31.303 -6.371 1.00 62.62 C ATOM 622 O GLU A 65 -2.601 -30.816 -5.504 1.00 63.37 O ATOM 623 CB GLU A 65 -3.126 -30.989 -8.508 1.00 56.94 C ATOM 624 CG GLU A 65 -2.194 -29.871 -8.982 1.00 60.98 C ATOM 625 CD GLU A 65 -0.993 -30.387 -9.764 1.00 70.18 C ATOM 626 OE1 GLU A 65 -1.144 -31.352 -10.545 1.00 72.53 O ATOM 627 OE2 GLU A 65 0.108 -29.824 -9.593 1.00 95.12 O ATOM 628 H GLU A 65 -4.406 -32.985 -7.597 1.00 0.00 H ATOM 629 N GLY A 66 -0.548 -31.229 -6.317 1.00 56.75 N ATOM 630 CA GLY A 66 0.111 -30.530 -5.227 1.00 60.04 C ATOM 631 C GLY A 66 0.949 -31.446 -4.362 1.00 62.58 C ATOM 632 O GLY A 66 1.921 -31.013 -3.746 1.00 69.88 O ATOM 633 H GLY A 66 0.023 -31.676 -7.062 1.00 0.00 H ATOM 634 N ARG A 67 0.563 -32.715 -4.308 1.00 56.55 N ATOM 635 CA ARG A 67 1.326 -33.719 -3.582 1.00 58.23 C ATOM 636 C ARG A 67 2.576 -34.066 -4.382 1.00 63.84 C ATOM 637 O ARG A 67 2.631 -33.795 -5.584 1.00 60.07 O ATOM 638 CB ARG A 67 0.468 -34.968 -3.394 1.00 49.31 C ATOM 639 CG ARG A 67 -0.864 -34.700 -2.701 1.00 52.82 C ATOM 640 CD ARG A 67 -1.721 -35.957 -2.659 1.00 46.91 C ATOM 641 NE ARG A 67 -3.085 -35.676 -2.221 1.00 52.99 N ATOM 642 CZ ARG A 67 -3.531 -35.901 -0.990 1.00 45.70 C ATOM 643 NH1 ARG A 67 -2.718 -36.408 -0.073 1.00 48.39 N ATOM 644 NH2 ARG A 67 -4.790 -35.620 -0.674 1.00 41.20 N ATOM 645 HE ARG A 67 -3.748 -35.275 -2.915 1.00 0.00 H ATOM 646 HH12 ARG A 67 -3.067 -36.584 0.891 1.00 0.00 H ATOM 647 HH11 ARG A 67 -1.732 -36.629 -0.318 1.00 0.00 H ATOM 648 HH22 ARG A 67 -5.136 -35.797 0.291 1.00 0.00 H ATOM 649 HH21 ARG A 67 -5.430 -35.223 -1.391 1.00 0.00 H ATOM 650 H ARG A 67 -0.309 -32.999 -4.798 1.00 0.00 H ATOM 651 N ASP A 68 3.581 -34.655 -3.734 1.00 49.72 N ATOM 652 CA ASP A 68 4.720 -35.185 -4.482 1.00 52.95 C ATOM 653 C ASP A 68 4.215 -36.332 -5.355 1.00 62.56 C ATOM 654 O ASP A 68 3.171 -36.919 -5.063 1.00 56.63 O ATOM 655 CB ASP A 68 5.854 -35.645 -3.554 1.00 76.31 C ATOM 656 CG ASP A 68 5.516 -36.914 -2.783 1.00 89.10 C ATOM 657 OD1 ASP A 68 5.231 -36.813 -1.570 1.00 95.91 O ATOM 658 OD2 ASP A 68 5.549 -38.013 -3.382 1.00 87.12 O ATOM 659 H ASP A 68 3.555 -34.737 -2.698 1.00 0.00 H ATOM 660 N ARG A 69 4.945 -36.650 -6.420 1.00 57.70 N ATOM 661 CA ARG A 69 4.461 -37.617 -7.406 1.00 64.25 C ATOM 662 C ARG A 69 4.158 -39.004 -6.824 1.00 62.82 C ATOM 663 O ARG A 69 3.120 -39.600 -7.138 1.00 76.58 O ATOM 664 CB ARG A 69 5.427 -37.718 -8.592 1.00 73.01 C ATOM 665 CG ARG A 69 4.851 -38.456 -9.794 1.00 85.20 C ATOM 666 CD ARG A 69 5.604 -38.139 -11.084 1.00 88.69 C ATOM 667 NE ARG A 69 5.004 -38.826 -12.227 1.00 97.36 N ATOM 668 CZ ARG A 69 4.086 -38.291 -13.030 1.00 96.47 C ATOM 669 NH1 ARG A 69 3.596 -38.998 -14.040 1.00 95.42 N ATOM 670 NH2 ARG A 69 3.657 -37.050 -12.830 1.00 87.38 N ATOM 671 HE ARG A 69 5.315 -39.798 -12.426 1.00 0.00 H ATOM 672 HH12 ARG A 69 2.879 -38.581 -14.667 1.00 0.00 H ATOM 673 HH11 ARG A 69 3.929 -39.970 -14.204 1.00 0.00 H ATOM 674 HH22 ARG A 69 2.940 -36.640 -13.462 1.00 0.00 H ATOM 675 HH21 ARG A 69 4.038 -36.489 -12.042 1.00 0.00 H ATOM 676 H ARG A 69 5.875 -36.204 -6.554 1.00 0.00 H ATOM 677 N THR A 70 5.053 -39.509 -5.976 1.00 66.70 N ATOM 678 CA THR A 70 4.860 -40.822 -5.360 1.00 74.11 C ATOM 679 C THR A 70 3.650 -40.819 -4.420 1.00 56.35 C ATOM 680 O THR A 70 2.823 -41.732 -4.459 1.00 65.57 O ATOM 681 CB THR A 70 6.133 -41.321 -4.624 1.00 61.29 C ATOM 682 OG1 THR A 70 6.525 -40.373 -3.624 1.00 69.49 O ATOM 683 CG2 THR A 70 7.281 -41.505 -5.606 1.00 49.75 C ATOM 684 HG1 THR A 70 6.717 -39.502 -4.054 1.00 0.00 H ATOM 685 H THR A 70 5.906 -38.959 -5.747 1.00 0.00 H ATOM 686 N MET A 71 3.541 -39.782 -3.593 1.00 50.54 N ATOM 687 CA MET A 71 2.375 -39.603 -2.728 1.00 60.96 C ATOM 688 C MET A 71 1.075 -39.518 -3.536 1.00 64.50 C ATOM 689 O MET A 71 0.086 -40.174 -3.212 1.00 61.79 O ATOM 690 CB MET A 71 2.540 -38.345 -1.873 1.00 54.03 C ATOM 691 CG MET A 71 1.431 -38.114 -0.860 1.00 68.57 C ATOM 692 SD MET A 71 1.438 -39.359 0.447 1.00 87.77 S ATOM 693 CE MET A 71 0.036 -38.826 1.428 1.00 62.09 C ATOM 694 H MET A 71 4.307 -39.079 -3.561 1.00 0.00 H ATOM 695 N ALA A 72 1.088 -38.707 -4.590 1.00 56.83 N ATOM 696 CA ALA A 72 -0.080 -38.541 -5.443 1.00 54.50 C ATOM 697 C ALA A 72 -0.513 -39.866 -6.059 1.00 58.29 C ATOM 698 O ALA A 72 -1.706 -40.189 -6.090 1.00 55.79 O ATOM 699 CB ALA A 72 0.205 -37.521 -6.525 1.00 62.43 C ATOM 700 H ALA A 72 1.955 -38.177 -4.811 1.00 0.00 H ATOM 701 N TRP A 73 0.456 -40.634 -6.548 1.00 58.47 N ATOM 702 CA TRP A 73 0.145 -41.934 -7.133 1.00 65.72 C ATOM 703 C TRP A 73 -0.377 -42.914 -6.080 1.00 57.82 C ATOM 704 O TRP A 73 -1.265 -43.717 -6.358 1.00 48.21 O ATOM 705 CB TRP A 73 1.351 -42.507 -7.887 1.00 65.74 C ATOM 706 CG TRP A 73 1.386 -42.090 -9.327 1.00 63.60 C ATOM 707 CD1 TRP A 73 2.312 -41.286 -9.937 1.00 70.01 C ATOM 708 CD2 TRP A 73 0.438 -42.446 -10.336 1.00 52.72 C ATOM 709 NE1 TRP A 73 1.995 -41.128 -11.269 1.00 59.74 N ATOM 710 CE2 TRP A 73 0.847 -41.831 -11.536 1.00 54.42 C ATOM 711 CE3 TRP A 73 -0.721 -43.227 -10.341 1.00 58.29 C ATOM 712 CZ2 TRP A 73 0.139 -41.975 -12.725 1.00 65.24 C ATOM 713 CZ3 TRP A 73 -1.421 -43.368 -11.520 1.00 57.93 C ATOM 714 CH2 TRP A 73 -0.992 -42.747 -12.694 1.00 73.30 C ATOM 715 HE1 TRP A 73 2.537 -40.568 -11.958 1.00 0.00 H ATOM 716 H TRP A 73 1.442 -40.306 -6.513 1.00 0.00 H ATOM 717 N THR A 74 0.176 -42.830 -4.873 1.00 50.85 N ATOM 718 CA THR A 74 -0.293 -43.626 -3.743 1.00 59.61 C ATOM 719 C THR A 74 -1.762 -43.331 -3.449 1.00 57.81 C ATOM 720 O THR A 74 -2.568 -44.247 -3.235 1.00 62.40 O ATOM 721 CB THR A 74 0.541 -43.335 -2.484 1.00 63.62 C ATOM 722 OG1 THR A 74 1.896 -43.742 -2.703 1.00 64.72 O ATOM 723 CG2 THR A 74 -0.008 -44.090 -1.293 1.00 68.92 C ATOM 724 HG1 THR A 74 2.270 -43.240 -3.470 1.00 0.00 H ATOM 725 H THR A 74 0.970 -42.174 -4.730 1.00 0.00 H ATOM 726 N VAL A 75 -2.102 -42.044 -3.447 1.00 50.27 N ATOM 727 CA VAL A 75 -3.478 -41.611 -3.223 1.00 51.44 C ATOM 728 C VAL A 75 -4.393 -42.127 -4.329 1.00 56.11 C ATOM 729 O VAL A 75 -5.478 -42.647 -4.047 1.00 46.67 O ATOM 730 CB VAL A 75 -3.589 -40.078 -3.131 1.00 42.36 C ATOM 731 CG1 VAL A 75 -5.048 -39.655 -3.040 1.00 42.49 C ATOM 732 CG2 VAL A 75 -2.829 -39.563 -1.926 1.00 42.39 C ATOM 733 H VAL A 75 -1.367 -41.327 -3.610 1.00 0.00 H ATOM 734 N VAL A 76 -3.950 -41.990 -5.581 1.00 51.37 N ATOM 735 CA VAL A 76 -4.726 -42.474 -6.728 1.00 50.24 C ATOM 736 C VAL A 76 -4.991 -43.977 -6.624 1.00 44.06 C ATOM 737 O VAL A 76 -6.133 -44.430 -6.771 1.00 44.91 O ATOM 738 CB VAL A 76 -4.032 -42.163 -8.074 1.00 55.22 C ATOM 739 CG1 VAL A 76 -4.761 -42.841 -9.213 1.00 41.91 C ATOM 740 CG2 VAL A 76 -3.976 -40.664 -8.316 1.00 43.16 C ATOM 741 H VAL A 76 -3.033 -41.529 -5.747 1.00 0.00 H ATOM 742 N ASN A 77 -3.931 -44.739 -6.365 1.00 51.66 N ATOM 743 CA ASN A 77 -4.040 -46.183 -6.186 1.00 60.50 C ATOM 744 C ASN A 77 -5.026 -46.532 -5.078 1.00 61.11 C ATOM 745 O ASN A 77 -5.881 -47.406 -5.249 1.00 57.57 O ATOM 746 CB ASN A 77 -2.669 -46.791 -5.886 1.00 66.60 C ATOM 747 CG ASN A 77 -1.780 -46.876 -7.117 1.00 66.59 C ATOM 748 OD1 ASN A 77 -2.263 -46.994 -8.242 1.00 71.59 O ATOM 749 ND2 ASN A 77 -0.470 -46.829 -6.903 1.00 74.37 N ATOM 750 HD22 ASN A 77 -0.105 -46.728 -5.935 1.00 0.00 H ATOM 751 HD21 ASN A 77 0.190 -46.893 -7.704 1.00 0.00 H ATOM 752 H ASN A 77 -2.996 -44.291 -6.288 1.00 0.00 H ATOM 753 N SER A 78 -4.909 -45.834 -3.950 1.00 55.55 N ATOM 754 CA SER A 78 -5.833 -46.025 -2.834 1.00 54.87 C ATOM 755 C SER A 78 -7.287 -45.801 -3.256 1.00 55.25 C ATOM 756 O SER A 78 -8.153 -46.633 -2.975 1.00 54.72 O ATOM 757 CB SER A 78 -5.471 -45.099 -1.671 1.00 50.20 C ATOM 758 OG SER A 78 -6.417 -45.212 -0.623 1.00 55.75 O ATOM 759 HG SER A 78 -7.314 -44.964 -0.961 1.00 0.00 H ATOM 760 H SER A 78 -4.142 -45.137 -3.861 1.00 0.00 H ATOM 761 N ILE A 79 -7.543 -44.679 -3.932 1.00 56.55 N ATOM 762 CA ILE A 79 -8.885 -44.342 -4.410 1.00 52.95 C ATOM 763 C ILE A 79 -9.424 -45.425 -5.341 1.00 52.95 C ATOM 764 O ILE A 79 -10.593 -45.800 -5.260 1.00 50.03 O ATOM 765 CB ILE A 79 -8.909 -42.972 -5.136 1.00 46.79 C ATOM 766 CG1 ILE A 79 -8.560 -41.838 -4.170 1.00 45.06 C ATOM 767 CG2 ILE A 79 -10.275 -42.710 -5.759 1.00 43.40 C ATOM 768 CD1 ILE A 79 -8.460 -40.467 -4.826 1.00 46.78 C ATOM 769 H ILE A 79 -6.761 -44.021 -4.126 1.00 0.00 H ATOM 770 N CYS A 80 -8.566 -45.936 -6.217 1.00 48.49 N ATOM 771 CA CYS A 80 -8.986 -46.977 -7.145 1.00 58.23 C ATOM 772 C CYS A 80 -9.348 -48.269 -6.407 1.00 65.99 C ATOM 773 O CYS A 80 -10.421 -48.838 -6.629 1.00 64.38 O ATOM 774 CB CYS A 80 -7.906 -47.229 -8.196 1.00 65.87 C ATOM 775 SG CYS A 80 -7.575 -45.800 -9.264 1.00 56.21 S ATOM 776 H CYS A 80 -7.586 -45.590 -6.240 1.00 0.00 H ATOM 777 N ASN A 81 -8.461 -48.714 -5.518 1.00 66.24 N ATOM 778 CA ASN A 81 -8.711 -49.911 -4.712 1.00 66.05 C ATOM 779 C ASN A 81 -9.921 -49.793 -3.779 1.00 59.56 C ATOM 780 O ASN A 81 -10.526 -50.796 -3.408 1.00 72.35 O ATOM 781 CB ASN A 81 -7.464 -50.286 -3.903 1.00 67.34 C ATOM 782 CG ASN A 81 -6.311 -50.744 -4.780 1.00 86.12 C ATOM 783 OD1 ASN A 81 -6.514 -51.201 -5.905 1.00103.57 O ATOM 784 ND2 ASN A 81 -5.093 -50.632 -4.263 1.00 87.19 N ATOM 785 HD22 ASN A 81 -4.968 -50.240 -3.308 1.00 0.00 H ATOM 786 HD21 ASN A 81 -4.265 -50.936 -4.813 1.00 0.00 H ATOM 787 H ASN A 81 -7.567 -48.197 -5.393 1.00 0.00 H ATOM 788 N THR A 82 -10.269 -48.563 -3.410 1.00 61.70 N ATOM 789 CA THR A 82 -11.361 -48.307 -2.472 1.00 53.72 C ATOM 790 C THR A 82 -12.708 -48.151 -3.178 1.00 60.69 C ATOM 791 O THR A 82 -13.748 -48.551 -2.646 1.00 63.02 O ATOM 792 CB THR A 82 -11.077 -47.034 -1.639 1.00 53.56 C ATOM 793 OG1 THR A 82 -9.850 -47.197 -0.914 1.00 56.72 O ATOM 794 CG2 THR A 82 -12.204 -46.746 -0.658 1.00 60.62 C ATOM 795 HG1 THR A 82 -9.671 -46.381 -0.382 1.00 0.00 H ATOM 796 H THR A 82 -9.746 -47.755 -3.803 1.00 0.00 H ATOM 797 N THR A 83 -12.684 -47.575 -4.379 1.00 62.32 N ATOM 798 CA THR A 83 -13.913 -47.224 -5.090 1.00 63.21 C ATOM 799 C THR A 83 -14.184 -48.102 -6.308 1.00 63.71 C ATOM 800 O THR A 83 -15.310 -48.147 -6.807 1.00 63.80 O ATOM 801 CB THR A 83 -13.898 -45.749 -5.548 1.00 61.20 C ATOM 802 OG1 THR A 83 -12.807 -45.534 -6.455 1.00 61.93 O ATOM 803 CG2 THR A 83 -13.746 -44.824 -4.357 1.00 49.43 C ATOM 804 HG1 THR A 83 -11.954 -45.745 -5.999 1.00 0.00 H ATOM 805 H THR A 83 -11.766 -47.369 -4.823 1.00 0.00 H ATOM 806 N GLY A 84 -13.153 -48.788 -6.793 1.00 68.35 N ATOM 807 CA GLY A 84 -13.292 -49.624 -7.973 1.00 81.26 C ATOM 808 C GLY A 84 -13.253 -48.826 -9.263 1.00 84.50 C ATOM 809 O GLY A 84 -13.603 -49.333 -10.328 1.00 84.44 O ATOM 810 H GLY A 84 -12.230 -48.725 -6.319 1.00 0.00 H ATOM 811 N ALA A 85 -12.829 -47.571 -9.167 1.00 79.78 N ATOM 812 CA ALA A 85 -12.704 -46.717 -10.340 1.00 74.70 C ATOM 813 C ALA A 85 -11.473 -47.117 -11.139 1.00 76.68 C ATOM 814 O ALA A 85 -10.452 -47.486 -10.560 1.00 88.41 O ATOM 815 CB ALA A 85 -12.619 -45.260 -9.925 1.00 60.53 C ATOM 816 H ALA A 85 -12.580 -47.189 -8.232 1.00 0.00 H ATOM 817 N GLU A 86 -11.572 -47.046 -12.464 1.00 86.25 N ATOM 818 CA GLU A 86 -10.458 -47.415 -13.335 1.00 75.66 C ATOM 819 C GLU A 86 -9.244 -46.525 -13.108 1.00 68.80 C ATOM 820 O GLU A 86 -9.370 -45.306 -13.006 1.00 67.67 O ATOM 821 CB GLU A 86 -10.868 -47.343 -14.806 1.00 87.29 C ATOM 822 CG GLU A 86 -11.519 -48.606 -15.341 1.00 90.57 C ATOM 823 CD GLU A 86 -11.510 -48.655 -16.856 1.00101.47 C ATOM 824 OE1 GLU A 86 -12.182 -49.537 -17.429 1.00 97.40 O ATOM 825 OE2 GLU A 86 -10.824 -47.810 -17.473 1.00 90.17 O ATOM 826 H GLU A 86 -12.463 -46.720 -12.890 1.00 0.00 H ATOM 827 N LYS A 87 -8.070 -47.143 -13.037 1.00 61.96 N ATOM 828 CA LYS A 87 -6.832 -46.405 -12.826 1.00 67.84 C ATOM 829 C LYS A 87 -6.458 -45.590 -14.058 1.00 66.45 C ATOM 830 O LYS A 87 -6.357 -46.130 -15.156 1.00 88.65 O ATOM 831 CB LYS A 87 -5.691 -47.361 -12.463 1.00 53.14 C ATOM 832 CG LYS A 87 -4.357 -46.667 -12.209 1.00 65.29 C ATOM 833 CD LYS A 87 -3.288 -47.655 -11.762 1.00 69.36 C ATOM 834 CE LYS A 87 -1.951 -46.965 -11.532 1.00 84.07 C ATOM 835 NZ LYS A 87 -0.909 -47.904 -11.017 1.00 85.28 N ATOM 836 HZ1 LYS A 87 -1.224 -48.307 -10.111 1.00 0.00 H ATOM 837 HZ2 LYS A 87 -0.763 -48.669 -11.706 1.00 0.00 H ATOM 838 HZ3 LYS A 87 -0.017 -47.387 -10.876 1.00 0.00 H ATOM 839 H LYS A 87 -8.034 -48.178 -13.134 1.00 0.00 H ATOM 840 N PRO A 88 -6.248 -44.280 -13.876 1.00 70.74 N ATOM 841 CA PRO A 88 -5.840 -43.404 -14.979 1.00 69.90 C ATOM 842 C PRO A 88 -4.380 -43.628 -15.346 1.00 73.54 C ATOM 843 O PRO A 88 -3.594 -44.063 -14.504 1.00 69.76 O ATOM 844 CB PRO A 88 -6.015 -42.006 -14.386 1.00 71.45 C ATOM 845 CG PRO A 88 -5.798 -42.197 -12.926 1.00 73.00 C ATOM 846 CD PRO A 88 -6.379 -43.545 -12.605 1.00 71.81 C ATOM 847 N LYS A 89 -4.025 -43.325 -16.590 1.00 88.65 N ATOM 848 CA LYS A 89 -2.664 -43.529 -17.072 1.00 82.21 C ATOM 849 C LYS A 89 -1.756 -42.358 -16.709 1.00 73.05 C ATOM 850 O LYS A 89 -0.532 -42.501 -16.653 1.00 87.90 O ATOM 851 CB LYS A 89 -2.665 -43.755 -18.585 1.00 90.75 C ATOM 852 CG LYS A 89 -3.618 -44.854 -19.043 1.00 97.45 C ATOM 853 CD LYS A 89 -3.296 -46.187 -18.380 1.00 91.47 C ATOM 854 CE LYS A 89 -1.929 -46.699 -18.809 1.00 89.39 C ATOM 855 NZ LYS A 89 -1.577 -47.992 -18.161 1.00 90.90 N ATOM 856 HZ1 LYS A 89 -1.564 -47.869 -17.128 1.00 0.00 H ATOM 857 HZ2 LYS A 89 -2.284 -48.710 -18.417 1.00 0.00 H ATOM 858 HZ3 LYS A 89 -0.638 -48.297 -18.486 1.00 0.00 H ATOM 859 H LYS A 89 -4.737 -42.932 -17.238 1.00 0.00 H ATOM 860 N PHE A 90 -2.362 -41.202 -16.460 1.00 71.21 N ATOM 861 CA PHE A 90 -1.619 -40.013 -16.059 1.00 74.74 C ATOM 862 C PHE A 90 -2.232 -39.419 -14.785 1.00 76.07 C ATOM 863 O PHE A 90 -3.398 -39.672 -14.487 1.00 74.48 O ATOM 864 CB PHE A 90 -1.601 -38.991 -17.201 1.00 73.99 C ATOM 865 CG PHE A 90 -0.925 -39.492 -18.459 1.00109.10 C ATOM 866 CD1 PHE A 90 0.419 -39.233 -18.691 1.00110.69 C ATOM 867 CD2 PHE A 90 -1.635 -40.220 -19.407 1.00101.75 C ATOM 868 CE1 PHE A 90 1.042 -39.691 -19.842 1.00 93.57 C ATOM 869 CE2 PHE A 90 -1.016 -40.681 -20.560 1.00 84.33 C ATOM 870 CZ PHE A 90 0.324 -40.417 -20.775 1.00 75.19 C ATOM 871 H PHE A 90 -3.396 -41.143 -16.554 1.00 0.00 H ATOM 872 N LEU A 91 -1.447 -38.650 -14.030 1.00 62.17 N ATOM 873 CA LEU A 91 -1.920 -38.048 -12.776 1.00 58.42 C ATOM 874 C LEU A 91 -3.011 -37.002 -12.979 1.00 58.11 C ATOM 875 O LEU A 91 -2.769 -35.965 -13.592 1.00 55.56 O ATOM 876 CB LEU A 91 -0.763 -37.402 -12.007 1.00 54.15 C ATOM 877 CG LEU A 91 0.067 -38.305 -11.096 1.00 61.93 C ATOM 878 CD1 LEU A 91 1.092 -37.496 -10.315 1.00 53.96 C ATOM 879 CD2 LEU A 91 -0.838 -39.070 -10.152 1.00 50.79 C ATOM 880 H LEU A 91 -0.470 -38.471 -14.338 1.00 0.00 H ATOM 881 N PRO A 92 -4.217 -37.267 -12.451 1.00 48.77 N ATOM 882 CA PRO A 92 -5.318 -36.296 -12.510 1.00 52.04 C ATOM 883 C PRO A 92 -5.145 -35.247 -11.424 1.00 42.31 C ATOM 884 O PRO A 92 -4.263 -35.390 -10.576 1.00 41.57 O ATOM 885 CB PRO A 92 -6.560 -37.146 -12.206 1.00 47.94 C ATOM 886 CG PRO A 92 -6.091 -38.582 -12.197 1.00 56.85 C ATOM 887 CD PRO A 92 -4.644 -38.533 -11.838 1.00 50.44 C ATOM 888 N ASP A 93 -5.973 -34.211 -11.442 1.00 34.39 N ATOM 889 CA ASP A 93 -5.878 -33.159 -10.437 1.00 50.80 C ATOM 890 C ASP A 93 -6.801 -33.405 -9.247 1.00 40.37 C ATOM 891 O ASP A 93 -6.472 -33.043 -8.116 1.00 36.06 O ATOM 892 CB ASP A 93 -6.194 -31.804 -11.063 1.00 42.71 C ATOM 893 CG ASP A 93 -5.287 -31.483 -12.229 1.00 51.33 C ATOM 894 OD1 ASP A 93 -4.053 -31.561 -12.050 1.00 54.61 O ATOM 895 OD2 ASP A 93 -5.809 -31.169 -13.326 1.00 43.58 O ATOM 896 H ASP A 93 -6.700 -34.148 -12.183 1.00 0.00 H ATOM 897 N LEU A 94 -7.957 -34.016 -9.501 1.00 39.17 N ATOM 898 CA LEU A 94 -8.931 -34.233 -8.435 1.00 38.45 C ATOM 899 C LEU A 94 -9.617 -35.590 -8.561 1.00 45.85 C ATOM 900 O LEU A 94 -9.586 -36.208 -9.621 1.00 41.60 O ATOM 901 CB LEU A 94 -10.000 -33.138 -8.469 1.00 41.79 C ATOM 902 CG LEU A 94 -9.599 -31.681 -8.237 1.00 32.47 C ATOM 903 CD1 LEU A 94 -10.778 -30.759 -8.493 1.00 39.77 C ATOM 904 CD2 LEU A 94 -9.096 -31.491 -6.824 1.00 38.67 C ATOM 905 H LEU A 94 -8.168 -34.341 -10.466 1.00 0.00 H ATOM 906 N TYR A 95 -10.222 -36.060 -7.473 1.00 40.08 N ATOM 907 CA TYR A 95 -11.210 -37.127 -7.568 1.00 40.05 C ATOM 908 C TYR A 95 -12.560 -36.609 -7.089 1.00 40.95 C ATOM 909 O TYR A 95 -12.634 -35.901 -6.077 1.00 44.24 O ATOM 910 CB TYR A 95 -10.808 -38.359 -6.761 1.00 45.01 C ATOM 911 CG TYR A 95 -11.784 -39.502 -6.944 1.00 45.43 C ATOM 912 CD1 TYR A 95 -11.761 -40.282 -8.097 1.00 50.18 C ATOM 913 CD2 TYR A 95 -12.737 -39.790 -5.975 1.00 42.20 C ATOM 914 CE1 TYR A 95 -12.654 -41.321 -8.277 1.00 45.47 C ATOM 915 CE2 TYR A 95 -13.632 -40.826 -6.143 1.00 55.64 C ATOM 916 CZ TYR A 95 -13.587 -41.588 -7.294 1.00 65.05 C ATOM 917 OH TYR A 95 -14.483 -42.620 -7.459 1.00 58.40 O ATOM 918 HH TYR A 95 -14.318 -43.062 -8.329 1.00 0.00 H ATOM 919 H TYR A 95 -9.987 -35.660 -6.542 1.00 0.00 H ATOM 920 N ASP A 96 -13.613 -36.950 -7.830 1.00 47.92 N ATOM 921 CA ASP A 96 -14.981 -36.567 -7.490 1.00 49.80 C ATOM 922 C ASP A 96 -15.668 -37.762 -6.835 1.00 55.88 C ATOM 923 O ASP A 96 -16.049 -38.715 -7.520 1.00 48.10 O ATOM 924 CB ASP A 96 -15.738 -36.157 -8.762 1.00 53.68 C ATOM 925 CG ASP A 96 -17.069 -35.475 -8.471 1.00 53.94 C ATOM 926 OD1 ASP A 96 -17.652 -35.709 -7.391 1.00 55.48 O ATOM 927 OD2 ASP A 96 -17.536 -34.703 -9.337 1.00 50.52 O ATOM 928 H ASP A 96 -13.454 -37.514 -8.689 1.00 0.00 H ATOM 929 N TYR A 97 -15.825 -37.714 -5.514 1.00 47.42 N ATOM 930 CA TYR A 97 -16.453 -38.820 -4.793 1.00 58.18 C ATOM 931 C TYR A 97 -17.934 -38.957 -5.153 1.00 54.65 C ATOM 932 O TYR A 97 -18.496 -40.052 -5.092 1.00 55.46 O ATOM 933 CB TYR A 97 -16.275 -38.664 -3.279 1.00 36.67 C ATOM 934 CG TYR A 97 -14.881 -38.979 -2.783 1.00 40.37 C ATOM 935 CD1 TYR A 97 -14.401 -40.284 -2.783 1.00 32.92 C ATOM 936 CD2 TYR A 97 -14.050 -37.971 -2.304 1.00 40.40 C ATOM 937 CE1 TYR A 97 -13.129 -40.575 -2.330 1.00 38.43 C ATOM 938 CE2 TYR A 97 -12.781 -38.253 -1.847 1.00 42.36 C ATOM 939 CZ TYR A 97 -12.327 -39.556 -1.861 1.00 41.21 C ATOM 940 OH TYR A 97 -11.060 -39.834 -1.401 1.00 53.33 O ATOM 941 HH TYR A 97 -10.986 -39.558 -0.453 1.00 0.00 H ATOM 942 H TYR A 97 -15.497 -36.879 -4.988 1.00 0.00 H ATOM 943 N LYS A 98 -18.551 -37.846 -5.545 1.00 49.17 N ATOM 944 CA LYS A 98 -19.959 -37.839 -5.939 1.00 45.71 C ATOM 945 C LYS A 98 -20.196 -38.480 -7.307 1.00 57.89 C ATOM 946 O LYS A 98 -21.067 -39.338 -7.449 1.00 65.23 O ATOM 947 CB LYS A 98 -20.497 -36.411 -5.933 1.00 38.04 C ATOM 948 CG LYS A 98 -21.914 -36.286 -6.455 1.00 46.88 C ATOM 949 CD LYS A 98 -22.423 -34.866 -6.276 1.00 58.48 C ATOM 950 CE LYS A 98 -23.820 -34.709 -6.849 1.00 70.18 C ATOM 951 NZ LYS A 98 -24.442 -33.420 -6.437 1.00 73.92 N ATOM 952 HZ1 LYS A 98 -24.507 -33.384 -5.400 1.00 0.00 H ATOM 953 HZ2 LYS A 98 -23.857 -32.630 -6.777 1.00 0.00 H ATOM 954 HZ3 LYS A 98 -25.395 -33.349 -6.848 1.00 0.00 H ATOM 955 H LYS A 98 -18.016 -36.955 -5.572 1.00 0.00 H ATOM 956 N GLU A 99 -19.422 -38.064 -8.308 1.00 62.03 N ATOM 957 CA GLU A 99 -19.581 -38.592 -9.665 1.00 48.07 C ATOM 958 C GLU A 99 -18.660 -39.782 -9.951 1.00 52.53 C ATOM 959 O GLU A 99 -18.694 -40.344 -11.044 1.00 59.97 O ATOM 960 CB GLU A 99 -19.362 -37.492 -10.710 1.00 52.51 C ATOM 961 CG GLU A 99 -20.302 -36.295 -10.584 1.00 51.91 C ATOM 962 CD GLU A 99 -21.735 -36.626 -10.966 1.00 73.15 C ATOM 963 OE1 GLU A 99 -22.636 -35.807 -10.678 1.00 70.36 O ATOM 964 OE2 GLU A 99 -21.960 -37.700 -11.560 1.00 72.83 O ATOM 965 H GLU A 99 -18.690 -37.349 -8.122 1.00 0.00 H ATOM 966 N ASN A 100 -17.844 -40.156 -8.967 1.00 50.00 N ATOM 967 CA ASN A 100 -16.963 -41.325 -9.070 1.00 55.10 C ATOM 968 C ASN A 100 -16.043 -41.336 -10.285 1.00 51.47 C ATOM 969 O ASN A 100 -15.895 -42.362 -10.954 1.00 66.17 O ATOM 970 CB ASN A 100 -17.769 -42.624 -8.998 1.00 54.80 C ATOM 971 CG ASN A 100 -18.525 -42.760 -7.693 1.00 77.38 C ATOM 972 OD1 ASN A 100 -19.698 -42.391 -7.602 1.00 76.17 O ATOM 973 ND2 ASN A 100 -17.854 -43.283 -6.669 1.00 66.50 N ATOM 974 HD22 ASN A 100 -16.865 -43.580 -6.793 1.00 0.00 H ATOM 975 HD21 ASN A 100 -18.319 -43.394 -5.745 1.00 0.00 H ATOM 976 H ASN A 100 -17.831 -39.597 -8.090 1.00 0.00 H ATOM 977 N ARG A 101 -15.424 -40.192 -10.559 1.00 50.20 N ATOM 978 CA ARG A 101 -14.496 -40.071 -11.675 1.00 56.89 C ATOM 979 C ARG A 101 -13.393 -39.077 -11.331 1.00 45.86 C ATOM 980 O ARG A 101 -13.600 -38.137 -10.560 1.00 44.79 O ATOM 981 CB ARG A 101 -15.232 -39.620 -12.941 1.00 36.38 C ATOM 982 CG ARG A 101 -15.792 -38.215 -12.840 1.00 42.99 C ATOM 983 CD ARG A 101 -16.928 -37.973 -13.806 1.00 39.86 C ATOM 984 NE ARG A 101 -17.490 -36.642 -13.599 1.00 46.05 N ATOM 985 CZ ARG A 101 -18.599 -36.200 -14.180 1.00 40.01 C ATOM 986 NH1 ARG A 101 -19.278 -36.984 -15.011 1.00 42.51 N ATOM 987 NH2 ARG A 101 -19.029 -34.971 -13.926 1.00 37.12 N ATOM 988 HE ARG A 101 -16.989 -35.998 -12.954 1.00 0.00 H ATOM 989 HH12 ARG A 101 -20.146 -36.634 -15.464 1.00 0.00 H ATOM 990 HH11 ARG A 101 -18.941 -37.948 -15.208 1.00 0.00 H ATOM 991 HH22 ARG A 101 -19.897 -34.620 -14.378 1.00 0.00 H ATOM 992 HH21 ARG A 101 -18.498 -34.359 -13.274 1.00 0.00 H ATOM 993 H ARG A 101 -15.607 -39.361 -9.961 1.00 0.00 H ATOM 994 N PHE A 102 -12.211 -39.292 -11.890 1.00 50.92 N ATOM 995 CA PHE A 102 -11.150 -38.317 -11.732 1.00 51.32 C ATOM 996 C PHE A 102 -11.424 -37.083 -12.586 1.00 47.62 C ATOM 997 O PHE A 102 -12.143 -37.146 -13.591 1.00 37.76 O ATOM 998 CB PHE A 102 -9.798 -38.937 -12.068 1.00 45.04 C ATOM 999 CG PHE A 102 -9.347 -39.963 -11.071 1.00 50.97 C ATOM 1000 CD1 PHE A 102 -8.694 -39.575 -9.909 1.00 49.27 C ATOM 1001 CD2 PHE A 102 -9.580 -41.311 -11.290 1.00 56.65 C ATOM 1002 CE1 PHE A 102 -8.278 -40.514 -8.985 1.00 51.99 C ATOM 1003 CE2 PHE A 102 -9.167 -42.258 -10.369 1.00 59.49 C ATOM 1004 CZ PHE A 102 -8.513 -41.857 -9.216 1.00 47.21 C ATOM 1005 H PHE A 102 -12.045 -40.158 -12.441 1.00 0.00 H ATOM 1006 N ILE A 103 -10.872 -35.956 -12.155 1.00 40.37 N ATOM 1007 CA ILE A 103 -11.005 -34.698 -12.867 1.00 38.17 C ATOM 1008 C ILE A 103 -9.631 -34.166 -13.242 1.00 44.52 C ATOM 1009 O ILE A 103 -8.738 -34.033 -12.380 1.00 42.72 O ATOM 1010 CB ILE A 103 -11.720 -33.637 -12.018 1.00 45.57 C ATOM 1011 CG1 ILE A 103 -13.136 -34.094 -11.664 1.00 47.14 C ATOM 1012 CG2 ILE A 103 -11.751 -32.311 -12.762 1.00 37.14 C ATOM 1013 CD1 ILE A 103 -13.898 -33.121 -10.767 1.00 43.98 C ATOM 1014 H ILE A 103 -10.322 -35.975 -11.272 1.00 0.00 H ATOM 1015 N GLU A 104 -9.480 -33.893 -14.537 1.00 36.78 N ATOM 1016 CA GLU A 104 -8.346 -33.178 -15.105 1.00 34.74 C ATOM 1017 C GLU A 104 -8.749 -31.725 -15.361 1.00 34.53 C ATOM 1018 O GLU A 104 -9.733 -31.454 -16.054 1.00 44.45 O ATOM 1019 CB GLU A 104 -7.933 -33.839 -16.427 1.00 38.64 C ATOM 1020 CG GLU A 104 -6.685 -33.254 -17.062 1.00 51.67 C ATOM 1021 CD GLU A 104 -5.571 -33.070 -16.059 1.00 59.79 C ATOM 1022 OE1 GLU A 104 -5.261 -34.027 -15.313 1.00 54.00 O ATOM 1023 OE2 GLU A 104 -5.021 -31.956 -16.004 1.00 61.88 O ATOM 1024 H GLU A 104 -10.225 -34.213 -15.188 1.00 0.00 H ATOM 1025 N ILE A 105 -7.988 -30.793 -14.804 1.00 28.38 N ATOM 1026 CA ILE A 105 -8.280 -29.372 -14.951 1.00 33.75 C ATOM 1027 C ILE A 105 -7.209 -28.653 -15.771 1.00 36.12 C ATOM 1028 O ILE A 105 -6.020 -28.708 -15.444 1.00 47.40 O ATOM 1029 CB ILE A 105 -8.426 -28.705 -13.566 1.00 32.62 C ATOM 1030 CG1 ILE A 105 -9.732 -29.156 -12.909 1.00 41.17 C ATOM 1031 CG2 ILE A 105 -8.403 -27.196 -13.689 1.00 37.47 C ATOM 1032 CD1 ILE A 105 -9.892 -28.703 -11.485 1.00 45.87 C ATOM 1033 H ILE A 105 -7.160 -31.084 -14.247 1.00 0.00 H ATOM 1034 N GLY A 106 -7.629 -27.981 -16.839 1.00 34.31 N ATOM 1035 CA GLY A 106 -6.691 -27.238 -17.663 1.00 42.39 C ATOM 1036 C GLY A 106 -6.895 -25.740 -17.558 1.00 36.25 C ATOM 1037 O GLY A 106 -8.023 -25.276 -17.416 1.00 43.58 O ATOM 1038 H GLY A 106 -8.639 -27.987 -17.087 1.00 0.00 H ATOM 1039 N VAL A 107 -5.803 -24.981 -17.605 1.00 38.86 N ATOM 1040 CA VAL A 107 -5.889 -23.524 -17.675 1.00 31.30 C ATOM 1041 C VAL A 107 -5.037 -23.041 -18.839 1.00 34.64 C ATOM 1042 O VAL A 107 -3.819 -23.225 -18.839 1.00 52.15 O ATOM 1043 CB VAL A 107 -5.393 -22.852 -16.395 1.00 35.10 C ATOM 1044 CG1 VAL A 107 -5.567 -21.350 -16.506 1.00 31.12 C ATOM 1045 CG2 VAL A 107 -6.140 -23.382 -15.192 1.00 34.77 C ATOM 1046 H VAL A 107 -4.867 -25.435 -17.592 1.00 0.00 H ATOM 1047 N THR A 108 -5.665 -22.417 -19.830 1.00 39.95 N ATOM 1048 CA THR A 108 -4.948 -22.121 -21.067 1.00 47.62 C ATOM 1049 C THR A 108 -5.110 -20.691 -21.578 1.00 44.93 C ATOM 1050 O THR A 108 -6.123 -20.035 -21.332 1.00 48.43 O ATOM 1051 CB THR A 108 -5.349 -23.106 -22.190 1.00 51.04 C ATOM 1052 OG1 THR A 108 -4.542 -22.872 -23.350 1.00 57.26 O ATOM 1053 CG2 THR A 108 -6.813 -22.929 -22.559 1.00 45.58 C ATOM 1054 HG1 THR A 108 -3.589 -23.007 -23.120 1.00 0.00 H ATOM 1055 H THR A 108 -6.662 -22.141 -19.725 1.00 0.00 H ATOM 1056 N ARG A 109 -4.085 -20.221 -22.281 1.00 61.47 N ATOM 1057 CA ARG A 109 -4.152 -18.968 -23.017 1.00 60.82 C ATOM 1058 C ARG A 109 -4.588 -19.261 -24.445 1.00 57.80 C ATOM 1059 O ARG A 109 -4.873 -18.347 -25.216 1.00 64.06 O ATOM 1060 CB ARG A 109 -2.785 -18.280 -23.043 1.00 66.76 C ATOM 1061 CG ARG A 109 -2.371 -17.642 -21.722 1.00 72.98 C ATOM 1062 CD ARG A 109 -1.060 -18.222 -21.200 1.00 79.38 C ATOM 1063 NE ARG A 109 -1.264 -19.366 -20.317 1.00 80.50 N ATOM 1064 CZ ARG A 109 -0.279 -20.122 -19.837 1.00 91.42 C ATOM 1065 NH1 ARG A 109 0.983 -19.861 -20.159 1.00 60.75 N ATOM 1066 NH2 ARG A 109 -0.558 -21.146 -19.037 1.00 87.02 N ATOM 1067 HE ARG A 109 -2.239 -19.605 -20.046 1.00 0.00 H ATOM 1068 HH12 ARG A 109 1.749 -20.454 -19.782 1.00 0.00 H ATOM 1069 HH11 ARG A 109 1.205 -19.063 -20.788 1.00 0.00 H ATOM 1070 HH22 ARG A 109 0.211 -21.737 -18.662 1.00 0.00 H ATOM 1071 HH21 ARG A 109 -1.545 -21.356 -18.786 1.00 0.00 H ATOM 1072 H ARG A 109 -3.202 -20.770 -22.306 1.00 0.00 H ATOM 1073 N ARG A 110 -4.640 -20.540 -24.799 1.00 61.80 N ATOM 1074 CA ARG A 110 -4.931 -20.924 -26.175 1.00 51.87 C ATOM 1075 C ARG A 110 -6.427 -21.112 -26.415 1.00 52.71 C ATOM 1076 O ARG A 110 -7.247 -20.874 -25.528 1.00 51.67 O ATOM 1077 CB ARG A 110 -4.166 -22.195 -26.537 1.00 52.12 C ATOM 1078 CG ARG A 110 -2.647 -22.032 -26.462 1.00 53.43 C ATOM 1079 CD ARG A 110 -1.952 -23.369 -26.655 1.00 56.97 C ATOM 1080 NE ARG A 110 -2.381 -24.006 -27.894 1.00 56.98 N ATOM 1081 CZ ARG A 110 -2.480 -25.319 -28.064 1.00 49.01 C ATOM 1082 NH1 ARG A 110 -2.182 -26.144 -27.068 1.00 53.16 N ATOM 1083 NH2 ARG A 110 -2.882 -25.808 -29.231 1.00 51.72 N ATOM 1084 HE ARG A 110 -2.625 -23.392 -28.697 1.00 0.00 H ATOM 1085 HH12 ARG A 110 -2.260 -27.172 -27.203 1.00 0.00 H ATOM 1086 HH11 ARG A 110 -1.870 -25.762 -26.152 1.00 0.00 H ATOM 1087 HH22 ARG A 110 -2.960 -26.836 -29.365 1.00 0.00 H ATOM 1088 HH21 ARG A 110 -3.119 -25.163 -30.011 1.00 0.00 H ATOM 1089 H ARG A 110 -4.471 -21.277 -24.085 1.00 0.00 H ATOM 1090 N GLU A 111 -6.778 -21.527 -27.626 1.00 44.74 N ATOM 1091 CA GLU A 111 -8.169 -21.766 -27.974 1.00 48.42 C ATOM 1092 C GLU A 111 -8.684 -23.002 -27.220 1.00 52.34 C ATOM 1093 O GLU A 111 -8.161 -24.107 -27.397 1.00 53.07 O ATOM 1094 CB GLU A 111 -8.290 -21.929 -29.493 1.00 44.96 C ATOM 1095 CG GLU A 111 -9.655 -21.585 -30.057 1.00 54.64 C ATOM 1096 CD GLU A 111 -10.674 -22.649 -29.754 1.00 67.02 C ATOM 1097 OE1 GLU A 111 -10.312 -23.841 -29.859 1.00 57.84 O ATOM 1098 OE2 GLU A 111 -11.821 -22.298 -29.402 1.00 62.77 O ATOM 1099 H GLU A 111 -6.041 -21.685 -28.342 1.00 0.00 H ATOM 1100 N VAL A 112 -9.707 -22.803 -26.384 1.00 46.78 N ATOM 1101 CA VAL A 112 -10.159 -23.822 -25.426 1.00 43.44 C ATOM 1102 C VAL A 112 -10.575 -25.152 -26.042 1.00 43.86 C ATOM 1103 O VAL A 112 -10.359 -26.197 -25.433 1.00 46.38 O ATOM 1104 CB VAL A 112 -11.307 -23.319 -24.506 1.00 52.93 C ATOM 1105 CG1 VAL A 112 -10.847 -22.147 -23.676 1.00 51.05 C ATOM 1106 CG2 VAL A 112 -12.546 -22.950 -25.314 1.00 56.52 C ATOM 1107 H VAL A 112 -10.204 -21.890 -26.412 1.00 0.00 H ATOM 1108 N HIS A 113 -11.174 -25.118 -27.231 1.00 37.89 N ATOM 1109 CA HIS A 113 -11.585 -26.352 -27.891 1.00 45.12 C ATOM 1110 C HIS A 113 -10.363 -27.167 -28.283 1.00 47.99 C ATOM 1111 O HIS A 113 -10.300 -28.364 -28.005 1.00 44.78 O ATOM 1112 CB HIS A 113 -12.411 -26.073 -29.145 1.00 55.05 C ATOM 1113 CG HIS A 113 -13.680 -25.325 -28.888 1.00 67.40 C ATOM 1114 ND1 HIS A 113 -13.708 -23.969 -28.651 1.00 65.94 N ATOM 1115 CD2 HIS A 113 -14.969 -25.741 -28.861 1.00 68.06 C ATOM 1116 CE1 HIS A 113 -14.959 -23.582 -28.473 1.00 67.38 C ATOM 1117 NE2 HIS A 113 -15.743 -24.638 -28.594 1.00 72.33 N ATOM 1118 H HIS A 113 -11.350 -24.203 -27.693 1.00 0.00 H ATOM 1119 N ILE A 114 -9.400 -26.513 -28.934 1.00 37.51 N ATOM 1120 CA ILE A 114 -8.175 -27.181 -29.364 1.00 47.83 C ATOM 1121 C ILE A 114 -7.460 -27.765 -28.147 1.00 49.15 C ATOM 1122 O ILE A 114 -7.083 -28.944 -28.139 1.00 47.09 O ATOM 1123 CB ILE A 114 -7.221 -26.219 -30.119 1.00 44.72 C ATOM 1124 CG1 ILE A 114 -7.930 -25.534 -31.290 1.00 42.28 C ATOM 1125 CG2 ILE A 114 -5.981 -26.961 -30.608 1.00 38.51 C ATOM 1126 CD1 ILE A 114 -8.551 -26.492 -32.280 1.00 46.21 C ATOM 1127 H ILE A 114 -9.525 -25.501 -29.141 1.00 0.00 H ATOM 1128 N TYR A 115 -7.295 -26.936 -27.117 1.00 41.79 N ATOM 1129 CA TYR A 115 -6.666 -27.366 -25.872 1.00 49.49 C ATOM 1130 C TYR A 115 -7.377 -28.588 -25.285 1.00 47.01 C ATOM 1131 O TYR A 115 -6.729 -29.574 -24.905 1.00 48.66 O ATOM 1132 CB TYR A 115 -6.652 -26.217 -24.863 1.00 50.06 C ATOM 1133 CG TYR A 115 -5.815 -26.491 -23.635 1.00 52.23 C ATOM 1134 CD1 TYR A 115 -4.437 -26.321 -23.662 1.00 55.06 C ATOM 1135 CD2 TYR A 115 -6.401 -26.912 -22.448 1.00 50.11 C ATOM 1136 CE1 TYR A 115 -3.666 -26.565 -22.548 1.00 59.67 C ATOM 1137 CE2 TYR A 115 -5.636 -27.163 -21.324 1.00 52.82 C ATOM 1138 CZ TYR A 115 -4.269 -26.987 -21.382 1.00 60.49 C ATOM 1139 OH TYR A 115 -3.498 -27.230 -20.269 1.00 68.70 O ATOM 1140 HH TYR A 115 -3.608 -28.174 -19.993 1.00 0.00 H ATOM 1141 H TYR A 115 -7.624 -25.953 -27.203 1.00 0.00 H ATOM 1142 N TYR A 116 -8.708 -28.526 -25.237 1.00 40.61 N ATOM 1143 CA TYR A 116 -9.512 -29.648 -24.758 1.00 40.92 C ATOM 1144 C TYR A 116 -9.228 -30.911 -25.557 1.00 48.49 C ATOM 1145 O TYR A 116 -9.104 -31.993 -24.985 1.00 51.33 O ATOM 1146 CB TYR A 116 -11.015 -29.333 -24.826 1.00 43.96 C ATOM 1147 CG TYR A 116 -11.890 -30.512 -24.413 1.00 49.53 C ATOM 1148 CD1 TYR A 116 -12.288 -30.681 -23.090 1.00 44.35 C ATOM 1149 CD2 TYR A 116 -12.304 -31.461 -25.344 1.00 45.52 C ATOM 1150 CE1 TYR A 116 -13.072 -31.757 -22.709 1.00 44.18 C ATOM 1151 CE2 TYR A 116 -13.082 -32.539 -24.971 1.00 49.91 C ATOM 1152 CZ TYR A 116 -13.464 -32.681 -23.653 1.00 50.22 C ATOM 1153 OH TYR A 116 -14.246 -33.752 -23.281 1.00 45.95 O ATOM 1154 HH TYR A 116 -14.428 -33.704 -22.309 1.00 0.00 H ATOM 1155 H TYR A 116 -9.186 -27.657 -25.549 1.00 0.00 H ATOM 1156 N LEU A 117 -9.152 -30.769 -26.878 1.00 46.03 N ATOM 1157 CA LEU A 117 -8.955 -31.913 -27.763 1.00 56.67 C ATOM 1158 C LEU A 117 -7.582 -32.552 -27.550 1.00 45.25 C ATOM 1159 O LEU A 117 -7.440 -33.783 -27.569 1.00 51.14 O ATOM 1160 CB LEU A 117 -9.145 -31.484 -29.216 1.00 52.30 C ATOM 1161 CG LEU A 117 -10.561 -31.009 -29.545 1.00 52.22 C ATOM 1162 CD1 LEU A 117 -10.635 -30.374 -30.924 1.00 57.96 C ATOM 1163 CD2 LEU A 117 -11.541 -32.155 -29.434 1.00 48.61 C ATOM 1164 H LEU A 117 -9.235 -29.818 -27.291 1.00 0.00 H ATOM 1165 N GLU A 118 -6.583 -31.704 -27.327 1.00 44.06 N ATOM 1166 CA GLU A 118 -5.244 -32.167 -26.986 1.00 59.49 C ATOM 1167 C GLU A 118 -5.240 -32.931 -25.665 1.00 69.73 C ATOM 1168 O GLU A 118 -4.617 -33.984 -25.569 1.00 74.02 O ATOM 1169 CB GLU A 118 -4.259 -30.994 -26.929 1.00 54.83 C ATOM 1170 CG GLU A 118 -3.882 -30.418 -28.300 1.00 48.95 C ATOM 1171 CD GLU A 118 -3.132 -29.098 -28.197 1.00 67.01 C ATOM 1172 OE1 GLU A 118 -2.725 -28.731 -27.074 1.00 67.97 O ATOM 1173 OE2 GLU A 118 -2.955 -28.425 -29.237 1.00 61.75 O ATOM 1174 H GLU A 118 -6.762 -30.682 -27.398 1.00 0.00 H ATOM 1175 N LYS A 119 -5.928 -32.403 -24.652 1.00 71.48 N ATOM 1176 CA LYS A 119 -6.023 -33.093 -23.359 1.00 60.16 C ATOM 1177 C LYS A 119 -6.717 -34.453 -23.477 1.00 64.49 C ATOM 1178 O LYS A 119 -6.206 -35.469 -22.993 1.00 59.19 O ATOM 1179 CB LYS A 119 -6.762 -32.229 -22.336 1.00 55.02 C ATOM 1180 CG LYS A 119 -5.878 -31.258 -21.572 1.00 60.19 C ATOM 1181 CD LYS A 119 -4.829 -31.988 -20.753 1.00 67.28 C ATOM 1182 CE LYS A 119 -3.976 -31.007 -19.967 1.00 72.94 C ATOM 1183 NZ LYS A 119 -4.818 -30.112 -19.128 1.00 70.41 N ATOM 1184 HZ1 LYS A 119 -5.465 -29.574 -19.739 1.00 0.00 H ATOM 1185 HZ2 LYS A 119 -5.369 -30.685 -18.457 1.00 0.00 H ATOM 1186 HZ3 LYS A 119 -4.207 -29.454 -18.604 1.00 0.00 H ATOM 1187 H LYS A 119 -6.405 -31.488 -24.780 1.00 0.00 H ATOM 1188 N ALA A 120 -7.877 -34.458 -24.129 1.00 53.56 N ATOM 1189 CA ALA A 120 -8.678 -35.670 -24.298 1.00 63.06 C ATOM 1190 C ALA A 120 -7.958 -36.725 -25.123 1.00 79.14 C ATOM 1191 O ALA A 120 -8.203 -37.922 -24.961 1.00 90.87 O ATOM 1192 CB ALA A 120 -10.011 -35.336 -24.929 1.00 41.92 C ATOM 1193 H ALA A 120 -8.227 -33.566 -24.534 1.00 0.00 H ATOM 1194 N ASN A 121 -7.091 -36.275 -26.024 1.00 88.05 N ATOM 1195 CA ASN A 121 -6.246 -37.192 -26.773 1.00 80.04 C ATOM 1196 C ASN A 121 -5.089 -37.708 -25.908 1.00 80.27 C ATOM 1197 O ASN A 121 -4.762 -38.895 -25.940 1.00 72.10 O ATOM 1198 CB ASN A 121 -5.722 -36.506 -28.037 1.00 76.43 C ATOM 1199 CG ASN A 121 -4.948 -37.447 -28.935 1.00 76.50 C ATOM 1200 OD1 ASN A 121 -3.718 -37.399 -28.993 1.00 77.13 O ATOM 1201 ND2 ASN A 121 -5.666 -38.309 -29.644 1.00 76.48 N ATOM 1202 HD22 ASN A 121 -6.703 -38.313 -29.563 1.00 0.00 H ATOM 1203 HD21 ASN A 121 -5.192 -38.981 -30.281 1.00 0.00 H ATOM 1204 H ASN A 121 -7.016 -35.252 -26.196 1.00 0.00 H ATOM 1205 N LYS A 122 -4.493 -36.812 -25.121 1.00 80.59 N ATOM 1206 CA LYS A 122 -3.292 -37.122 -24.336 1.00 81.95 C ATOM 1207 C LYS A 122 -3.564 -37.769 -22.974 1.00 97.56 C ATOM 1208 O LYS A 122 -2.628 -38.001 -22.206 1.00 90.31 O ATOM 1209 CB LYS A 122 -2.418 -35.871 -24.141 1.00 80.25 C ATOM 1210 CG LYS A 122 -1.731 -35.348 -25.407 1.00 95.80 C ATOM 1211 CD LYS A 122 -0.753 -34.220 -25.085 1.00 90.04 C ATOM 1212 CE LYS A 122 -0.027 -33.720 -26.333 1.00 99.43 C ATOM 1213 NZ LYS A 122 -0.898 -32.911 -27.235 1.00 76.82 N ATOM 1214 HZ1 LYS A 122 -1.702 -33.490 -27.550 1.00 0.00 H ATOM 1215 HZ2 LYS A 122 -1.249 -32.078 -26.720 1.00 0.00 H ATOM 1216 HZ3 LYS A 122 -0.347 -32.602 -28.061 1.00 0.00 H ATOM 1217 H LYS A 122 -4.895 -35.855 -25.061 1.00 0.00 H ATOM 1218 N ILE A 123 -4.828 -38.043 -22.657 1.00 96.57 N ATOM 1219 CA ILE A 123 -5.120 -38.843 -21.467 1.00 97.43 C ATOM 1220 C ILE A 123 -5.363 -40.299 -21.848 1.00109.89 C ATOM 1221 O ILE A 123 -4.982 -41.211 -21.112 1.00123.83 O ATOM 1222 CB ILE A 123 -6.310 -38.296 -20.618 1.00 99.80 C ATOM 1223 CG1 ILE A 123 -7.623 -38.311 -21.407 1.00 86.60 C ATOM 1224 CG2 ILE A 123 -6.005 -36.900 -20.082 1.00 72.86 C ATOM 1225 CD1 ILE A 123 -8.834 -37.977 -20.563 1.00 75.68 C ATOM 1226 H ILE A 123 -5.604 -37.690 -23.252 1.00 0.00 H ATOM 1227 N LYS A 124 -5.996 -40.508 -23.002 1.00108.47 N ATOM 1228 CA LYS A 124 -6.350 -41.846 -23.487 1.00125.83 C ATOM 1229 C LYS A 124 -7.229 -42.644 -22.516 1.00130.45 C ATOM 1230 O LYS A 124 -7.526 -43.815 -22.755 1.00132.14 O ATOM 1231 CB LYS A 124 -5.102 -42.649 -23.881 1.00118.24 C ATOM 1232 CG LYS A 124 -4.544 -42.301 -25.255 1.00103.32 C ATOM 1233 CD LYS A 124 -5.571 -42.556 -26.351 1.00104.66 C ATOM 1234 CE LYS A 124 -5.048 -42.120 -27.712 1.00 91.95 C ATOM 1235 NZ LYS A 124 -6.127 -42.102 -28.738 1.00 85.42 N ATOM 1236 HZ1 LYS A 124 -6.530 -43.056 -28.832 1.00 0.00 H ATOM 1237 HZ2 LYS A 124 -6.871 -41.437 -28.445 1.00 0.00 H ATOM 1238 HZ3 LYS A 124 -5.731 -41.800 -29.651 1.00 0.00 H ATOM 1239 H LYS A 124 -6.250 -39.685 -23.585 1.00 0.00 H ATOM 1240 N SER A 125 -7.640 -42.001 -21.426 1.00119.22 N ATOM 1241 CA SER A 125 -8.599 -42.588 -20.502 1.00120.85 C ATOM 1242 C SER A 125 -9.997 -42.177 -20.940 1.00113.48 C ATOM 1243 O SER A 125 -10.151 -41.269 -21.757 1.00113.80 O ATOM 1244 CB SER A 125 -8.315 -42.145 -19.066 1.00 91.82 C ATOM 1245 OG SER A 125 -7.235 -42.881 -18.517 1.00 82.11 O ATOM 1246 HG SER A 125 -7.069 -42.579 -17.589 1.00 0.00 H ATOM 1247 H SER A 125 -7.265 -41.051 -21.229 1.00 0.00 H ATOM 1248 N GLU A 126 -11.013 -42.846 -20.404 1.00102.86 N ATOM 1249 CA GLU A 126 -12.372 -42.664 -20.904 1.00100.88 C ATOM 1250 C GLU A 126 -13.357 -42.155 -19.857 1.00 96.81 C ATOM 1251 O GLU A 126 -14.353 -41.518 -20.202 1.00 97.63 O ATOM 1252 CB GLU A 126 -12.893 -43.964 -21.526 1.00100.90 C ATOM 1253 CG GLU A 126 -11.964 -44.577 -22.567 1.00117.89 C ATOM 1254 CD GLU A 126 -11.568 -43.600 -23.664 1.00131.28 C ATOM 1255 OE1 GLU A 126 -12.397 -42.744 -24.046 1.00131.79 O ATOM 1256 OE2 GLU A 126 -10.418 -43.690 -24.145 1.00122.27 O ATOM 1257 H GLU A 126 -10.838 -43.506 -19.620 1.00 0.00 H ATOM 1258 N LYS A 127 -13.086 -42.434 -18.585 1.00 88.40 N ATOM 1259 CA LYS A 127 -13.983 -42.007 -17.511 1.00 80.74 C ATOM 1260 C LYS A 127 -13.537 -40.688 -16.872 1.00 71.82 C ATOM 1261 O LYS A 127 -14.350 -39.983 -16.276 1.00 66.49 O ATOM 1262 CB LYS A 127 -14.136 -43.109 -16.453 1.00 89.82 C ATOM 1263 CG LYS A 127 -15.277 -42.888 -15.455 1.00 95.45 C ATOM 1264 CD LYS A 127 -15.557 -44.144 -14.626 1.00 98.02 C ATOM 1265 CE LYS A 127 -14.316 -44.620 -13.876 1.00 91.62 C ATOM 1266 NZ LYS A 127 -13.815 -43.596 -12.917 1.00 78.27 N ATOM 1267 HZ1 LYS A 127 -13.569 -42.729 -13.435 1.00 0.00 H ATOM 1268 HZ2 LYS A 127 -14.556 -43.385 -12.218 1.00 0.00 H ATOM 1269 HZ3 LYS A 127 -12.972 -43.962 -12.430 1.00 0.00 H ATOM 1270 H LYS A 127 -12.223 -42.964 -18.350 1.00 0.00 H ATOM 1271 N THR A 128 -12.255 -40.353 -17.007 1.00 57.20 N ATOM 1272 CA THR A 128 -11.736 -39.090 -16.478 1.00 54.11 C ATOM 1273 C THR A 128 -12.455 -37.885 -17.099 1.00 44.93 C ATOM 1274 O THR A 128 -12.590 -37.799 -18.318 1.00 54.94 O ATOM 1275 CB THR A 128 -10.212 -38.961 -16.695 1.00 51.24 C ATOM 1276 OG1 THR A 128 -9.542 -40.108 -16.153 1.00 62.80 O ATOM 1277 CG2 THR A 128 -9.677 -37.711 -16.014 1.00 41.10 C ATOM 1278 HG1 THR A 128 -8.567 -40.017 -16.296 1.00 0.00 H ATOM 1279 H THR A 128 -11.609 -41.002 -17.499 1.00 0.00 H ATOM 1280 N HIS A 129 -12.924 -36.970 -16.254 1.00 39.89 N ATOM 1281 CA HIS A 129 -13.658 -35.787 -16.706 1.00 37.19 C ATOM 1282 C HIS A 129 -12.691 -34.625 -16.927 1.00 43.30 C ATOM 1283 O HIS A 129 -11.814 -34.383 -16.098 1.00 42.99 O ATOM 1284 CB HIS A 129 -14.699 -35.396 -15.653 1.00 34.13 C ATOM 1285 CG HIS A 129 -15.859 -34.616 -16.194 1.00 40.03 C ATOM 1286 ND1 HIS A 129 -16.892 -35.207 -16.891 1.00 42.75 N ATOM 1287 CD2 HIS A 129 -16.154 -33.294 -16.130 1.00 29.19 C ATOM 1288 CE1 HIS A 129 -17.773 -34.284 -17.236 1.00 32.98 C ATOM 1289 NE2 HIS A 129 -17.349 -33.115 -16.788 1.00 47.77 N ATOM 1290 H HIS A 129 -12.763 -37.100 -15.235 1.00 0.00 H ATOM 1291 N ILE A 130 -12.853 -33.898 -18.030 1.00 35.43 N ATOM 1292 CA ILE A 130 -11.956 -32.783 -18.342 1.00 29.77 C ATOM 1293 C ILE A 130 -12.658 -31.438 -18.222 1.00 31.63 C ATOM 1294 O ILE A 130 -13.755 -31.252 -18.757 1.00 39.47 O ATOM 1295 CB ILE A 130 -11.373 -32.927 -19.757 1.00 40.86 C ATOM 1296 CG1 ILE A 130 -10.486 -34.168 -19.833 1.00 41.82 C ATOM 1297 CG2 ILE A 130 -10.587 -31.683 -20.152 1.00 31.75 C ATOM 1298 CD1 ILE A 130 -9.956 -34.450 -21.218 1.00 40.78 C ATOM 1299 H ILE A 130 -13.631 -34.126 -18.682 1.00 0.00 H ATOM 1300 N HIS A 131 -12.031 -30.497 -17.522 1.00 32.03 N ATOM 1301 CA HIS A 131 -12.599 -29.162 -17.399 1.00 31.69 C ATOM 1302 C HIS A 131 -11.513 -28.115 -17.671 1.00 34.74 C ATOM 1303 O HIS A 131 -10.522 -28.023 -16.940 1.00 34.49 O ATOM 1304 CB HIS A 131 -13.239 -28.983 -16.014 1.00 30.51 C ATOM 1305 CG HIS A 131 -14.179 -27.818 -15.917 1.00 44.39 C ATOM 1306 ND1 HIS A 131 -15.322 -27.847 -15.142 1.00 37.51 N ATOM 1307 CD2 HIS A 131 -14.140 -26.584 -16.481 1.00 43.09 C ATOM 1308 CE1 HIS A 131 -15.948 -26.688 -15.242 1.00 40.02 C ATOM 1309 NE2 HIS A 131 -15.252 -25.902 -16.046 1.00 46.10 N ATOM 1310 H HIS A 131 -11.127 -30.717 -17.058 1.00 0.00 H ATOM 1311 N ILE A 132 -11.714 -27.342 -18.738 1.00 33.04 N ATOM 1312 CA ILE A 132 -10.765 -26.339 -19.215 1.00 32.47 C ATOM 1313 C ILE A 132 -11.276 -24.920 -18.972 1.00 33.57 C ATOM 1314 O ILE A 132 -12.417 -24.596 -19.331 1.00 39.55 O ATOM 1315 CB ILE A 132 -10.519 -26.490 -20.742 1.00 38.95 C ATOM 1316 CG1 ILE A 132 -10.078 -27.910 -21.102 1.00 41.72 C ATOM 1317 CG2 ILE A 132 -9.504 -25.462 -21.232 1.00 36.36 C ATOM 1318 CD1 ILE A 132 -8.862 -28.385 -20.349 1.00 37.62 C ATOM 1319 H ILE A 132 -12.603 -27.460 -19.265 1.00 0.00 H ATOM 1320 N PHE A 133 -10.420 -24.087 -18.377 1.00 33.73 N ATOM 1321 CA PHE A 133 -10.670 -22.660 -18.205 1.00 37.70 C ATOM 1322 C PHE A 133 -9.667 -21.857 -19.038 1.00 45.04 C ATOM 1323 O PHE A 133 -8.492 -22.234 -19.139 1.00 42.37 O ATOM 1324 CB PHE A 133 -10.480 -22.256 -16.741 1.00 34.55 C ATOM 1325 CG PHE A 133 -11.463 -22.878 -15.791 1.00 40.41 C ATOM 1326 CD1 PHE A 133 -12.647 -22.226 -15.477 1.00 41.61 C ATOM 1327 CD2 PHE A 133 -11.184 -24.090 -15.179 1.00 38.46 C ATOM 1328 CE1 PHE A 133 -13.545 -22.782 -14.593 1.00 38.06 C ATOM 1329 CE2 PHE A 133 -12.076 -24.654 -14.294 1.00 39.83 C ATOM 1330 CZ PHE A 133 -13.259 -24.000 -13.999 1.00 47.69 C ATOM 1331 H PHE A 133 -9.526 -24.476 -18.016 1.00 0.00 H ATOM 1332 N SER A 134 -10.120 -20.754 -19.630 1.00 41.23 N ATOM 1333 CA SER A 134 -9.216 -19.823 -20.303 1.00 47.66 C ATOM 1334 C SER A 134 -9.167 -18.547 -19.489 1.00 38.54 C ATOM 1335 O SER A 134 -10.002 -18.336 -18.611 1.00 42.72 O ATOM 1336 CB SER A 134 -9.706 -19.490 -21.709 1.00 43.04 C ATOM 1337 OG SER A 134 -10.812 -18.607 -21.648 1.00 60.57 O ATOM 1338 HG SER A 134 -11.119 -18.400 -22.566 1.00 0.00 H ATOM 1339 H SER A 134 -11.140 -20.550 -19.613 1.00 0.00 H ATOM 1340 N PHE A 135 -8.201 -17.687 -19.782 1.00 42.96 N ATOM 1341 CA PHE A 135 -8.048 -16.454 -19.019 1.00 49.70 C ATOM 1342 C PHE A 135 -9.084 -15.397 -19.405 1.00 50.62 C ATOM 1343 O PHE A 135 -9.200 -14.367 -18.741 1.00 51.38 O ATOM 1344 CB PHE A 135 -6.631 -15.898 -19.176 1.00 44.98 C ATOM 1345 CG PHE A 135 -5.622 -16.527 -18.252 1.00 51.96 C ATOM 1346 CD1 PHE A 135 -4.934 -17.675 -18.623 1.00 34.87 C ATOM 1347 CD2 PHE A 135 -5.354 -15.957 -17.015 1.00 48.09 C ATOM 1348 CE1 PHE A 135 -4.003 -18.246 -17.775 1.00 45.08 C ATOM 1349 CE2 PHE A 135 -4.423 -16.521 -16.159 1.00 42.96 C ATOM 1350 CZ PHE A 135 -3.747 -17.669 -16.538 1.00 40.20 C ATOM 1351 H PHE A 135 -7.546 -17.894 -20.563 1.00 0.00 H ATOM 1352 N THR A 136 -9.838 -15.656 -20.471 1.00 47.45 N ATOM 1353 CA THR A 136 -10.842 -14.700 -20.938 1.00 59.16 C ATOM 1354 C THR A 136 -12.281 -15.114 -20.599 1.00 58.18 C ATOM 1355 O THR A 136 -13.242 -14.481 -21.041 1.00 66.37 O ATOM 1356 CB THR A 136 -10.700 -14.424 -22.450 1.00 61.53 C ATOM 1357 OG1 THR A 136 -10.528 -15.661 -23.153 1.00 57.53 O ATOM 1358 CG2 THR A 136 -9.493 -13.535 -22.712 1.00 60.88 C ATOM 1359 HG1 THR A 136 -11.316 -16.240 -22.997 1.00 0.00 H ATOM 1360 H THR A 136 -9.711 -16.554 -20.981 1.00 0.00 H ATOM 1361 N GLY A 137 -12.426 -16.171 -19.804 1.00 56.84 N ATOM 1362 CA GLY A 137 -13.733 -16.571 -19.314 1.00 49.56 C ATOM 1363 C GLY A 137 -14.378 -17.731 -20.047 1.00 49.63 C ATOM 1364 O GLY A 137 -15.470 -18.163 -19.680 1.00 48.33 O ATOM 1365 H GLY A 137 -11.587 -16.721 -19.528 1.00 0.00 H ATOM 1366 N GLU A 138 -13.720 -18.237 -21.085 1.00 41.98 N ATOM 1367 CA GLU A 138 -14.254 -19.390 -21.798 1.00 46.35 C ATOM 1368 C GLU A 138 -14.026 -20.665 -20.997 1.00 44.72 C ATOM 1369 O GLU A 138 -13.051 -20.775 -20.251 1.00 46.27 O ATOM 1370 CB GLU A 138 -13.625 -19.539 -23.184 1.00 55.19 C ATOM 1371 CG GLU A 138 -13.949 -18.418 -24.161 1.00 66.99 C ATOM 1372 CD GLU A 138 -13.034 -17.221 -23.998 1.00 83.58 C ATOM 1373 OE1 GLU A 138 -12.177 -17.247 -23.090 1.00 79.65 O ATOM 1374 OE2 GLU A 138 -13.170 -16.255 -24.778 1.00 98.23 O ATOM 1375 H GLU A 138 -12.822 -17.809 -21.389 1.00 0.00 H ATOM 1376 N GLU A 139 -14.940 -21.617 -21.159 1.00 40.67 N ATOM 1377 CA GLU A 139 -14.858 -22.914 -20.506 1.00 43.70 C ATOM 1378 C GLU A 139 -15.105 -24.008 -21.518 1.00 47.58 C ATOM 1379 O GLU A 139 -15.733 -23.788 -22.557 1.00 47.54 O ATOM 1380 CB GLU A 139 -15.940 -23.062 -19.444 1.00 40.37 C ATOM 1381 CG GLU A 139 -15.749 -22.263 -18.179 1.00 55.86 C ATOM 1382 CD GLU A 139 -16.920 -22.450 -17.223 1.00 60.44 C ATOM 1383 OE1 GLU A 139 -17.955 -21.766 -17.398 1.00 56.73 O ATOM 1384 OE2 GLU A 139 -16.805 -23.295 -16.309 1.00 51.09 O ATOM 1385 H GLU A 139 -15.751 -21.425 -21.781 1.00 0.00 H ATOM 1386 N MET A 140 -14.640 -25.203 -21.192 1.00 43.24 N ATOM 1387 CA MET A 140 -14.952 -26.366 -22.003 1.00 35.52 C ATOM 1388 C MET A 140 -14.942 -27.566 -21.079 1.00 43.07 C ATOM 1389 O MET A 140 -13.956 -27.793 -20.395 1.00 43.60 O ATOM 1390 CB MET A 140 -13.898 -26.540 -23.093 1.00 50.23 C ATOM 1391 CG MET A 140 -14.096 -27.761 -23.965 1.00 55.74 C ATOM 1392 SD MET A 140 -15.686 -27.703 -24.781 1.00 79.40 S ATOM 1393 CE MET A 140 -15.551 -26.108 -25.576 1.00 69.36 C ATOM 1394 H MET A 140 -14.045 -25.310 -20.346 1.00 0.00 H ATOM 1395 N ALA A 141 -16.024 -28.335 -21.036 1.00 40.95 N ATOM 1396 CA ALA A 141 -16.040 -29.508 -20.163 1.00 37.38 C ATOM 1397 C ALA A 141 -16.617 -30.735 -20.851 1.00 42.80 C ATOM 1398 O ALA A 141 -17.496 -30.622 -21.702 1.00 45.81 O ATOM 1399 CB ALA A 141 -16.794 -29.214 -18.877 1.00 34.32 C ATOM 1400 H ALA A 141 -16.854 -28.105 -21.619 1.00 0.00 H ATOM 1401 N THR A 142 -16.108 -31.901 -20.465 1.00 40.28 N ATOM 1402 CA THR A 142 -16.571 -33.184 -20.979 1.00 40.24 C ATOM 1403 C THR A 142 -18.090 -33.290 -20.915 1.00 44.98 C ATOM 1404 O THR A 142 -18.689 -32.977 -19.885 1.00 40.99 O ATOM 1405 CB THR A 142 -15.960 -34.338 -20.163 1.00 39.08 C ATOM 1406 OG1 THR A 142 -14.530 -34.294 -20.270 1.00 39.97 O ATOM 1407 CG2 THR A 142 -16.458 -35.673 -20.662 1.00 33.78 C ATOM 1408 HG1 THR A 142 -14.268 -34.386 -21.220 1.00 0.00 H ATOM 1409 H THR A 142 -15.342 -31.898 -19.762 1.00 0.00 H ATOM 1410 N LYS A 143 -18.699 -33.706 -22.027 1.00 42.93 N ATOM 1411 CA LYS A 143 -20.150 -33.903 -22.122 1.00 40.88 C ATOM 1412 C LYS A 143 -20.952 -32.655 -21.755 1.00 47.32 C ATOM 1413 O LYS A 143 -22.115 -32.755 -21.365 1.00 46.01 O ATOM 1414 CB LYS A 143 -20.603 -35.086 -21.253 1.00 42.50 C ATOM 1415 CG LYS A 143 -20.615 -36.445 -21.958 1.00 46.30 C ATOM 1416 CD LYS A 143 -19.244 -36.822 -22.508 1.00 77.01 C ATOM 1417 CE LYS A 143 -19.214 -38.240 -23.074 1.00 88.82 C ATOM 1418 NZ LYS A 143 -17.833 -38.648 -23.480 1.00 82.91 N ATOM 1419 HZ1 LYS A 143 -17.481 -37.997 -24.211 1.00 0.00 H ATOM 1420 HZ2 LYS A 143 -17.205 -38.613 -22.652 1.00 0.00 H ATOM 1421 HZ3 LYS A 143 -17.856 -39.616 -23.859 1.00 0.00 H ATOM 1422 H LYS A 143 -18.117 -33.900 -22.867 1.00 0.00 H ATOM 1423 N ALA A 144 -20.326 -31.486 -21.877 1.00 37.75 N ATOM 1424 CA ALA A 144 -20.944 -30.228 -21.472 1.00 45.09 C ATOM 1425 C ALA A 144 -21.481 -30.286 -20.042 1.00 47.48 C ATOM 1426 O ALA A 144 -22.458 -29.612 -19.708 1.00 45.79 O ATOM 1427 CB ALA A 144 -22.040 -29.824 -22.447 1.00 42.01 C ATOM 1428 H ALA A 144 -19.365 -31.469 -22.274 1.00 0.00 H ATOM 1429 N ASP A 145 -20.838 -31.111 -19.216 1.00 46.37 N ATOM 1430 CA ASP A 145 -21.122 -31.182 -17.786 1.00 36.72 C ATOM 1431 C ASP A 145 -20.069 -30.381 -17.033 1.00 38.01 C ATOM 1432 O ASP A 145 -18.905 -30.782 -16.967 1.00 49.75 O ATOM 1433 CB ASP A 145 -21.116 -32.640 -17.319 1.00 39.75 C ATOM 1434 CG ASP A 145 -21.305 -32.782 -15.816 1.00 54.12 C ATOM 1435 OD1 ASP A 145 -21.678 -31.788 -15.144 1.00 49.84 O ATOM 1436 OD2 ASP A 145 -21.090 -33.907 -15.312 1.00 51.12 O ATOM 1437 H ASP A 145 -20.101 -31.732 -19.608 1.00 0.00 H ATOM 1438 N TYR A 146 -20.488 -29.263 -16.449 1.00 41.49 N ATOM 1439 CA TYR A 146 -19.558 -28.327 -15.826 1.00 32.49 C ATOM 1440 C TYR A 146 -19.379 -28.523 -14.318 1.00 39.07 C ATOM 1441 O TYR A 146 -18.643 -27.765 -13.676 1.00 30.60 O ATOM 1442 CB TYR A 146 -19.932 -26.881 -16.187 1.00 37.04 C ATOM 1443 CG TYR A 146 -19.740 -26.628 -17.665 1.00 46.41 C ATOM 1444 CD1 TYR A 146 -20.718 -26.993 -18.585 1.00 45.39 C ATOM 1445 CD2 TYR A 146 -18.562 -26.071 -18.147 1.00 46.85 C ATOM 1446 CE1 TYR A 146 -20.536 -26.792 -19.940 1.00 45.33 C ATOM 1447 CE2 TYR A 146 -18.372 -25.867 -19.501 1.00 54.69 C ATOM 1448 CZ TYR A 146 -19.363 -26.229 -20.390 1.00 49.03 C ATOM 1449 OH TYR A 146 -19.185 -26.028 -21.738 1.00 59.45 O ATOM 1450 HH TYR A 146 -19.987 -26.342 -22.226 1.00 0.00 H ATOM 1451 H TYR A 146 -21.506 -29.050 -16.436 1.00 0.00 H ATOM 1452 N THR A 147 -20.041 -29.543 -13.766 1.00 39.60 N ATOM 1453 CA THR A 147 -19.789 -29.990 -12.387 1.00 41.02 C ATOM 1454 C THR A 147 -20.141 -28.979 -11.281 1.00 40.08 C ATOM 1455 O THR A 147 -20.939 -29.284 -10.397 1.00 51.10 O ATOM 1456 CB THR A 147 -18.329 -30.474 -12.212 1.00 38.41 C ATOM 1457 OG1 THR A 147 -18.068 -31.531 -13.144 1.00 43.05 O ATOM 1458 CG2 THR A 147 -18.096 -30.985 -10.805 1.00 42.63 C ATOM 1459 HG1 THR A 147 -18.199 -31.196 -14.066 1.00 0.00 H ATOM 1460 H THR A 147 -20.760 -30.039 -14.331 1.00 0.00 H ATOM 1461 N LEU A 148 -19.530 -27.796 -11.325 1.00 39.06 N ATOM 1462 CA LEU A 148 -19.807 -26.737 -10.357 1.00 38.31 C ATOM 1463 C LEU A 148 -20.819 -25.742 -10.916 1.00 47.76 C ATOM 1464 O LEU A 148 -20.926 -25.575 -12.129 1.00 43.76 O ATOM 1465 CB LEU A 148 -18.520 -25.990 -10.018 1.00 35.11 C ATOM 1466 CG LEU A 148 -17.322 -26.862 -9.649 1.00 44.73 C ATOM 1467 CD1 LEU A 148 -16.066 -26.030 -9.444 1.00 38.43 C ATOM 1468 CD2 LEU A 148 -17.639 -27.646 -8.407 1.00 32.45 C ATOM 1469 H LEU A 148 -18.831 -27.620 -12.075 1.00 0.00 H ATOM 1470 N ASP A 149 -21.549 -25.070 -10.031 1.00 45.21 N ATOM 1471 CA ASP A 149 -22.529 -24.072 -10.458 1.00 38.72 C ATOM 1472 C ASP A 149 -21.856 -22.810 -10.982 1.00 46.95 C ATOM 1473 O ASP A 149 -20.648 -22.627 -10.819 1.00 55.31 O ATOM 1474 CB ASP A 149 -23.470 -23.716 -9.308 1.00 35.80 C ATOM 1475 CG ASP A 149 -22.763 -22.982 -8.193 1.00 55.26 C ATOM 1476 OD1 ASP A 149 -22.849 -21.735 -8.150 1.00 65.24 O ATOM 1477 OD2 ASP A 149 -22.106 -23.653 -7.370 1.00 70.63 O ATOM 1478 H ASP A 149 -21.421 -25.258 -9.016 1.00 0.00 H ATOM 1479 N GLU A 150 -22.653 -21.932 -11.588 1.00 48.13 N ATOM 1480 CA GLU A 150 -22.134 -20.738 -12.243 1.00 47.32 C ATOM 1481 C GLU A 150 -21.399 -19.786 -11.308 1.00 50.03 C ATOM 1482 O GLU A 150 -20.496 -19.079 -11.745 1.00 48.54 O ATOM 1483 CB GLU A 150 -23.254 -19.983 -12.970 1.00 43.85 C ATOM 1484 CG GLU A 150 -23.839 -20.721 -14.166 1.00 52.62 C ATOM 1485 CD GLU A 150 -22.921 -20.728 -15.380 1.00 51.98 C ATOM 1486 OE1 GLU A 150 -22.074 -19.817 -15.505 1.00 48.67 O ATOM 1487 OE2 GLU A 150 -23.059 -21.645 -16.217 1.00 52.61 O ATOM 1488 H GLU A 150 -23.679 -22.104 -11.594 1.00 0.00 H ATOM 1489 N GLU A 151 -21.778 -19.757 -10.033 1.00 49.65 N ATOM 1490 CA GLU A 151 -21.162 -18.813 -9.098 1.00 61.21 C ATOM 1491 C GLU A 151 -19.716 -19.189 -8.757 1.00 51.27 C ATOM 1492 O GLU A 151 -18.822 -18.338 -8.778 1.00 56.46 O ATOM 1493 CB GLU A 151 -22.003 -18.687 -7.823 1.00 47.48 C ATOM 1494 CG GLU A 151 -21.506 -17.627 -6.845 1.00 83.12 C ATOM 1495 CD GLU A 151 -22.298 -17.607 -5.545 1.00115.14 C ATOM 1496 OE1 GLU A 151 -23.232 -18.425 -5.400 1.00116.07 O ATOM 1497 OE2 GLU A 151 -21.984 -16.772 -4.667 1.00109.47 O ATOM 1498 H GLU A 151 -22.516 -20.409 -9.698 1.00 0.00 H ATOM 1499 N SER A 152 -19.500 -20.463 -8.443 1.00 45.78 N ATOM 1500 CA SER A 152 -18.167 -20.989 -8.149 1.00 47.80 C ATOM 1501 C SER A 152 -17.209 -20.761 -9.317 1.00 46.06 C ATOM 1502 O SER A 152 -16.105 -20.197 -9.161 1.00 41.08 O ATOM 1503 CB SER A 152 -18.270 -22.485 -7.867 1.00 36.99 C ATOM 1504 OG SER A 152 -19.239 -22.751 -6.870 1.00 54.53 O ATOM 1505 HG SER A 152 -20.123 -22.424 -7.175 1.00 0.00 H ATOM 1506 H SER A 152 -20.312 -21.112 -8.405 1.00 0.00 H ATOM 1507 N ARG A 153 -17.646 -21.207 -10.492 1.00 36.75 N ATOM 1508 CA ARG A 153 -16.887 -21.013 -11.716 1.00 44.49 C ATOM 1509 C ARG A 153 -16.689 -19.525 -12.017 1.00 50.12 C ATOM 1510 O ARG A 153 -15.670 -19.133 -12.592 1.00 54.82 O ATOM 1511 CB ARG A 153 -17.566 -21.735 -12.881 1.00 41.43 C ATOM 1512 CG ARG A 153 -17.426 -23.252 -12.803 1.00 43.45 C ATOM 1513 CD ARG A 153 -18.576 -23.963 -13.492 1.00 43.88 C ATOM 1514 NE ARG A 153 -18.886 -23.363 -14.782 1.00 48.61 N ATOM 1515 CZ ARG A 153 -20.118 -23.248 -15.263 1.00 45.36 C ATOM 1516 NH1 ARG A 153 -21.147 -23.696 -14.556 1.00 46.51 N ATOM 1517 NH2 ARG A 153 -20.322 -22.684 -16.445 1.00 37.41 N ATOM 1518 HE ARG A 153 -18.098 -23.005 -15.359 1.00 0.00 H ATOM 1519 HH12 ARG A 153 -22.113 -23.607 -14.930 1.00 0.00 H ATOM 1520 HH11 ARG A 153 -20.988 -24.136 -13.627 1.00 0.00 H ATOM 1521 HH22 ARG A 153 -21.288 -22.595 -16.819 1.00 0.00 H ATOM 1522 HH21 ARG A 153 -19.516 -22.330 -16.998 1.00 0.00 H ATOM 1523 H ARG A 153 -18.556 -21.708 -10.536 1.00 0.00 H ATOM 1524 N ALA A 154 -17.641 -18.691 -11.604 1.00 35.12 N ATOM 1525 CA ALA A 154 -17.484 -17.252 -11.787 1.00 43.33 C ATOM 1526 C ALA A 154 -16.355 -16.732 -10.903 1.00 41.76 C ATOM 1527 O ALA A 154 -15.581 -15.872 -11.325 1.00 45.23 O ATOM 1528 CB ALA A 154 -18.780 -16.516 -11.499 1.00 47.65 C ATOM 1529 H ALA A 154 -18.498 -19.066 -11.150 1.00 0.00 H ATOM 1530 N ARG A 155 -16.267 -17.250 -9.679 1.00 39.00 N ATOM 1531 CA ARG A 155 -15.153 -16.908 -8.792 1.00 44.76 C ATOM 1532 C ARG A 155 -13.810 -17.282 -9.421 1.00 45.50 C ATOM 1533 O ARG A 155 -12.868 -16.473 -9.438 1.00 40.91 O ATOM 1534 CB ARG A 155 -15.302 -17.598 -7.435 1.00 41.16 C ATOM 1535 CG ARG A 155 -16.581 -17.216 -6.692 1.00 77.59 C ATOM 1536 CD ARG A 155 -16.644 -17.781 -5.273 1.00 87.18 C ATOM 1537 NE ARG A 155 -17.967 -17.569 -4.686 1.00 99.56 N ATOM 1538 CZ ARG A 155 -18.334 -16.465 -4.039 1.00112.31 C ATOM 1539 NH1 ARG A 155 -17.475 -15.464 -3.883 1.00 99.80 N ATOM 1540 NH2 ARG A 155 -19.562 -16.360 -3.543 1.00 90.89 N ATOM 1541 HE ARG A 155 -18.668 -18.332 -4.780 1.00 0.00 H ATOM 1542 HH12 ARG A 155 -17.766 -14.603 -3.377 1.00 0.00 H ATOM 1543 HH11 ARG A 155 -16.512 -15.541 -4.267 1.00 0.00 H ATOM 1544 HH22 ARG A 155 -19.847 -15.497 -3.038 1.00 0.00 H ATOM 1545 HH21 ARG A 155 -20.239 -17.141 -3.660 1.00 0.00 H ATOM 1546 H ARG A 155 -17.001 -17.908 -9.348 1.00 0.00 H ATOM 1547 N ILE A 156 -13.733 -18.508 -9.943 1.00 39.62 N ATOM 1548 CA ILE A 156 -12.518 -18.970 -10.623 1.00 38.65 C ATOM 1549 C ILE A 156 -12.130 -18.039 -11.787 1.00 48.62 C ATOM 1550 O ILE A 156 -10.997 -17.525 -11.842 1.00 46.39 O ATOM 1551 CB ILE A 156 -12.678 -20.431 -11.112 1.00 46.00 C ATOM 1552 CG1 ILE A 156 -12.653 -21.391 -9.921 1.00 40.30 C ATOM 1553 CG2 ILE A 156 -11.591 -20.800 -12.105 1.00 37.75 C ATOM 1554 CD1 ILE A 156 -12.864 -22.861 -10.288 1.00 41.92 C ATOM 1555 H ILE A 156 -14.549 -19.148 -9.866 1.00 0.00 H ATOM 1556 N LYS A 157 -13.078 -17.810 -12.696 1.00 43.71 N ATOM 1557 CA LYS A 157 -12.859 -16.923 -13.837 1.00 43.08 C ATOM 1558 C LYS A 157 -12.420 -15.527 -13.416 1.00 35.79 C ATOM 1559 O LYS A 157 -11.529 -14.942 -14.020 1.00 36.74 O ATOM 1560 CB LYS A 157 -14.126 -16.811 -14.671 1.00 31.79 C ATOM 1561 CG LYS A 157 -14.536 -18.099 -15.368 1.00 34.95 C ATOM 1562 CD LYS A 157 -15.913 -17.924 -15.977 1.00 45.29 C ATOM 1563 CE LYS A 157 -16.346 -19.160 -16.723 1.00 42.28 C ATOM 1564 NZ LYS A 157 -17.761 -19.067 -17.184 1.00 62.25 N ATOM 1565 HZ1 LYS A 157 -18.385 -18.948 -16.361 1.00 0.00 H ATOM 1566 HZ2 LYS A 157 -17.864 -18.250 -17.820 1.00 0.00 H ATOM 1567 HZ3 LYS A 157 -18.017 -19.938 -17.692 1.00 0.00 H ATOM 1568 H LYS A 157 -14.001 -18.277 -12.590 1.00 0.00 H ATOM 1569 N THR A 158 -13.056 -14.997 -12.379 1.00 42.54 N ATOM 1570 CA THR A 158 -12.728 -13.671 -11.877 1.00 49.53 C ATOM 1571 C THR A 158 -11.279 -13.634 -11.394 1.00 44.80 C ATOM 1572 O THR A 158 -10.543 -12.677 -11.674 1.00 43.59 O ATOM 1573 CB THR A 158 -13.692 -13.255 -10.751 1.00 43.72 C ATOM 1574 OG1 THR A 158 -15.027 -13.194 -11.272 1.00 51.29 O ATOM 1575 CG2 THR A 158 -13.319 -11.892 -10.192 1.00 27.41 C ATOM 1576 HG1 THR A 158 -15.285 -14.084 -11.619 1.00 0.00 H ATOM 1577 H THR A 158 -13.808 -15.543 -11.913 1.00 0.00 H ATOM 1578 N ARG A 159 -10.864 -14.682 -10.685 1.00 43.21 N ATOM 1579 CA ARG A 159 -9.476 -14.764 -10.238 1.00 44.64 C ATOM 1580 C ARG A 159 -8.527 -14.768 -11.440 1.00 40.19 C ATOM 1581 O ARG A 159 -7.511 -14.056 -11.449 1.00 45.14 O ATOM 1582 CB ARG A 159 -9.262 -15.998 -9.361 1.00 44.15 C ATOM 1583 CG ARG A 159 -7.817 -16.231 -8.941 1.00 52.87 C ATOM 1584 CD ARG A 159 -7.201 -15.026 -8.226 1.00 43.67 C ATOM 1585 NE ARG A 159 -5.852 -15.345 -7.765 1.00 57.12 N ATOM 1586 CZ ARG A 159 -4.932 -14.445 -7.433 1.00 65.05 C ATOM 1587 NH1 ARG A 159 -5.198 -13.146 -7.508 1.00 50.97 N ATOM 1588 NH2 ARG A 159 -3.735 -14.848 -7.031 1.00 47.31 N ATOM 1589 HE ARG A 159 -5.593 -16.349 -7.691 1.00 0.00 H ATOM 1590 HH12 ARG A 159 -4.471 -12.450 -7.246 1.00 0.00 H ATOM 1591 HH11 ARG A 159 -6.134 -12.824 -7.829 1.00 0.00 H ATOM 1592 HH22 ARG A 159 -3.011 -14.148 -6.770 1.00 0.00 H ATOM 1593 HH21 ARG A 159 -3.520 -15.864 -6.977 1.00 0.00 H ATOM 1594 H ARG A 159 -11.530 -15.445 -10.449 1.00 0.00 H ATOM 1595 N LEU A 160 -8.881 -15.547 -12.460 1.00 30.97 N ATOM 1596 CA LEU A 160 -8.093 -15.593 -13.692 1.00 42.58 C ATOM 1597 C LEU A 160 -7.983 -14.226 -14.383 1.00 50.98 C ATOM 1598 O LEU A 160 -6.915 -13.864 -14.898 1.00 52.46 O ATOM 1599 CB LEU A 160 -8.671 -16.631 -14.650 1.00 35.07 C ATOM 1600 CG LEU A 160 -8.518 -18.080 -14.196 1.00 46.30 C ATOM 1601 CD1 LEU A 160 -9.138 -19.054 -15.188 1.00 40.95 C ATOM 1602 CD2 LEU A 160 -7.051 -18.384 -14.005 1.00 32.45 C ATOM 1603 H LEU A 160 -9.735 -16.135 -12.379 1.00 0.00 H ATOM 1604 N PHE A 161 -9.084 -13.474 -14.387 1.00 47.47 N ATOM 1605 CA PHE A 161 -9.112 -12.131 -14.969 1.00 48.76 C ATOM 1606 C PHE A 161 -8.173 -11.209 -14.210 1.00 39.25 C ATOM 1607 O PHE A 161 -7.394 -10.467 -14.810 1.00 53.83 O ATOM 1608 CB PHE A 161 -10.522 -11.540 -14.905 1.00 46.61 C ATOM 1609 CG PHE A 161 -11.401 -11.919 -16.059 1.00 63.86 C ATOM 1610 CD1 PHE A 161 -12.179 -10.959 -16.690 1.00 68.97 C ATOM 1611 CD2 PHE A 161 -11.461 -13.232 -16.508 1.00 67.64 C ATOM 1612 CE1 PHE A 161 -13.000 -11.298 -17.746 1.00 82.89 C ATOM 1613 CE2 PHE A 161 -12.282 -13.580 -17.566 1.00 72.26 C ATOM 1614 CZ PHE A 161 -13.051 -12.612 -18.187 1.00 82.85 C ATOM 1615 H PHE A 161 -9.953 -13.855 -13.962 1.00 0.00 H ATOM 1616 N THR A 162 -8.281 -11.247 -12.884 1.00 36.14 N ATOM 1617 CA THR A 162 -7.412 -10.474 -12.005 1.00 46.92 C ATOM 1618 C THR A 162 -5.937 -10.738 -12.314 1.00 57.36 C ATOM 1619 O THR A 162 -5.141 -9.800 -12.475 1.00 59.20 O ATOM 1620 CB THR A 162 -7.692 -10.824 -10.539 1.00 54.41 C ATOM 1621 OG1 THR A 162 -9.042 -10.462 -10.217 1.00 45.80 O ATOM 1622 CG2 THR A 162 -6.733 -10.095 -9.612 1.00 55.94 C ATOM 1623 HG1 THR A 162 -9.665 -10.961 -10.803 1.00 0.00 H ATOM 1624 H THR A 162 -9.013 -11.851 -12.459 1.00 0.00 H ATOM 1625 N ILE A 163 -5.583 -12.018 -12.407 1.00 52.73 N ATOM 1626 CA ILE A 163 -4.212 -12.404 -12.729 1.00 48.55 C ATOM 1627 C ILE A 163 -3.777 -11.831 -14.081 1.00 54.41 C ATOM 1628 O ILE A 163 -2.724 -11.180 -14.179 1.00 46.70 O ATOM 1629 CB ILE A 163 -4.047 -13.935 -12.732 1.00 45.39 C ATOM 1630 CG1 ILE A 163 -4.267 -14.500 -11.330 1.00 33.32 C ATOM 1631 CG2 ILE A 163 -2.665 -14.323 -13.232 1.00 36.11 C ATOM 1632 CD1 ILE A 163 -4.225 -16.017 -11.268 1.00 32.96 C ATOM 1633 H ILE A 163 -6.297 -12.757 -12.247 1.00 0.00 H ATOM 1634 N ARG A 164 -4.596 -12.066 -15.108 1.00 48.36 N ATOM 1635 CA ARG A 164 -4.306 -11.590 -16.465 1.00 46.80 C ATOM 1636 C ARG A 164 -4.067 -10.083 -16.523 1.00 58.06 C ATOM 1637 O ARG A 164 -3.136 -9.617 -17.193 1.00 59.94 O ATOM 1638 CB ARG A 164 -5.439 -11.977 -17.423 1.00 46.01 C ATOM 1639 CG ARG A 164 -5.356 -11.343 -18.816 1.00 39.27 C ATOM 1640 CD ARG A 164 -6.612 -11.638 -19.638 1.00 44.59 C ATOM 1641 NE ARG A 164 -7.097 -10.445 -20.332 1.00 81.99 N ATOM 1642 CZ ARG A 164 -6.905 -10.193 -21.625 1.00 92.29 C ATOM 1643 NH1 ARG A 164 -6.242 -11.052 -22.388 1.00 82.50 N ATOM 1644 NH2 ARG A 164 -7.383 -9.077 -22.160 1.00 90.42 N ATOM 1645 HE ARG A 164 -7.629 -9.745 -19.777 1.00 0.00 H ATOM 1646 HH12 ARG A 164 -6.097 -10.847 -23.397 1.00 0.00 H ATOM 1647 HH11 ARG A 164 -5.867 -11.931 -21.977 1.00 0.00 H ATOM 1648 HH22 ARG A 164 -7.234 -8.879 -23.170 1.00 0.00 H ATOM 1649 HH21 ARG A 164 -7.907 -8.400 -21.569 1.00 0.00 H ATOM 1650 H ARG A 164 -5.470 -12.605 -14.941 1.00 0.00 H ATOM 1651 N GLN A 165 -4.891 -9.320 -15.809 1.00 49.23 N ATOM 1652 CA GLN A 165 -4.792 -7.867 -15.895 1.00 50.15 C ATOM 1653 C GLN A 165 -3.730 -7.261 -14.979 1.00 59.02 C ATOM 1654 O GLN A 165 -3.247 -6.163 -15.242 1.00 64.48 O ATOM 1655 CB GLN A 165 -6.157 -7.199 -15.705 1.00 54.39 C ATOM 1656 CG GLN A 165 -6.524 -6.842 -14.278 1.00 66.15 C ATOM 1657 CD GLN A 165 -7.949 -6.322 -14.179 1.00 93.70 C ATOM 1658 OE1 GLN A 165 -8.850 -6.821 -14.858 1.00 75.15 O ATOM 1659 NE2 GLN A 165 -8.158 -5.310 -13.341 1.00 87.06 N ATOM 1660 HE22 GLN A 165 -7.368 -4.921 -12.788 1.00 0.00 H ATOM 1661 HE21 GLN A 165 -9.112 -4.908 -13.239 1.00 0.00 H ATOM 1662 H GLN A 165 -5.604 -9.758 -15.191 1.00 0.00 H ATOM 1663 N GLU A 166 -3.358 -7.959 -13.909 1.00 59.65 N ATOM 1664 CA GLU A 166 -2.209 -7.502 -13.130 1.00 62.60 C ATOM 1665 C GLU A 166 -0.909 -7.768 -13.907 1.00 60.21 C ATOM 1666 O GLU A 166 -0.002 -6.916 -13.948 1.00 55.14 O ATOM 1667 CB GLU A 166 -2.194 -8.130 -11.732 1.00 49.69 C ATOM 1668 CG GLU A 166 -3.001 -7.327 -10.702 1.00 73.04 C ATOM 1669 CD GLU A 166 -3.133 -8.032 -9.359 1.00 95.11 C ATOM 1670 OE1 GLU A 166 -2.706 -9.199 -9.250 1.00 94.31 O ATOM 1671 OE2 GLU A 166 -3.672 -7.416 -8.411 1.00 81.96 O ATOM 1672 H GLU A 166 -3.877 -8.816 -13.631 1.00 0.00 H ATOM 1673 N MET A 167 -0.838 -8.939 -14.544 1.00 45.90 N ATOM 1674 CA MET A 167 0.270 -9.242 -15.444 1.00 43.38 C ATOM 1675 C MET A 167 0.364 -8.170 -16.525 1.00 59.08 C ATOM 1676 O MET A 167 1.429 -7.593 -16.746 1.00 62.50 O ATOM 1677 CB MET A 167 0.098 -10.615 -16.103 1.00 44.65 C ATOM 1678 CG MET A 167 0.387 -11.818 -15.202 1.00 53.73 C ATOM 1679 SD MET A 167 0.486 -13.325 -16.198 1.00 53.67 S ATOM 1680 CE MET A 167 0.772 -14.579 -14.948 1.00 61.78 C ATOM 1681 H MET A 167 -1.585 -9.647 -14.396 1.00 0.00 H ATOM 1682 N ALA A 168 -0.757 -7.901 -17.191 1.00 56.88 N ATOM 1683 CA ALA A 168 -0.799 -6.865 -18.223 1.00 49.68 C ATOM 1684 C ALA A 168 -0.386 -5.501 -17.666 1.00 63.01 C ATOM 1685 O ALA A 168 0.289 -4.718 -18.343 1.00 50.88 O ATOM 1686 CB ALA A 168 -2.183 -6.794 -18.845 1.00 57.42 C ATOM 1687 H ALA A 168 -1.620 -8.438 -16.973 1.00 0.00 H ATOM 1688 N SER A 169 -0.789 -5.228 -16.428 1.00 45.40 N ATOM 1689 CA SER A 169 -0.438 -3.983 -15.754 1.00 37.66 C ATOM 1690 C SER A 169 1.075 -3.847 -15.584 1.00 60.92 C ATOM 1691 O SER A 169 1.615 -2.739 -15.617 1.00 58.36 O ATOM 1692 CB SER A 169 -1.132 -3.912 -14.392 1.00 44.42 C ATOM 1693 OG SER A 169 -0.759 -2.750 -13.676 1.00 60.58 O ATOM 1694 HG SER A 169 0.220 -2.755 -13.528 1.00 0.00 H ATOM 1695 H SER A 169 -1.374 -5.925 -15.924 1.00 0.00 H ATOM 1696 N ARG A 170 1.756 -4.976 -15.399 1.00 63.58 N ATOM 1697 CA ARG A 170 3.211 -4.951 -15.240 1.00 49.75 C ATOM 1698 C ARG A 170 3.967 -5.185 -16.547 1.00 48.65 C ATOM 1699 O ARG A 170 5.198 -5.218 -16.560 1.00 62.09 O ATOM 1700 CB ARG A 170 3.647 -5.984 -14.203 1.00 47.32 C ATOM 1701 CG ARG A 170 3.190 -5.651 -12.803 1.00 41.79 C ATOM 1702 CD ARG A 170 3.040 -6.902 -11.953 1.00 50.58 C ATOM 1703 NE ARG A 170 2.244 -6.628 -10.761 1.00 66.65 N ATOM 1704 CZ ARG A 170 2.737 -6.585 -9.530 1.00 66.71 C ATOM 1705 NH1 ARG A 170 4.029 -6.811 -9.323 1.00 67.02 N ATOM 1706 NH2 ARG A 170 1.938 -6.327 -8.502 1.00 72.04 N ATOM 1707 HE ARG A 170 1.226 -6.456 -10.884 1.00 0.00 H ATOM 1708 HH12 ARG A 170 4.415 -6.777 -8.358 1.00 0.00 H ATOM 1709 HH11 ARG A 170 4.655 -7.022 -10.126 1.00 0.00 H ATOM 1710 HH22 ARG A 170 2.326 -6.294 -7.538 1.00 0.00 H ATOM 1711 HH21 ARG A 170 0.924 -6.158 -8.661 1.00 0.00 H ATOM 1712 H ARG A 170 1.250 -5.884 -15.367 1.00 0.00 H ATOM 1713 N GLY A 171 3.236 -5.355 -17.643 1.00 43.91 N ATOM 1714 CA GLY A 171 3.858 -5.613 -18.930 1.00 38.91 C ATOM 1715 C GLY A 171 4.274 -7.063 -19.089 1.00 56.17 C ATOM 1716 O GLY A 171 5.071 -7.400 -19.969 1.00 52.15 O ATOM 1717 H GLY A 171 2.199 -5.302 -17.578 1.00 0.00 H ATOM 1718 N LEU A 172 3.718 -7.926 -18.242 1.00 60.60 N ATOM 1719 CA LEU A 172 4.076 -9.343 -18.228 1.00 41.62 C ATOM 1720 C LEU A 172 3.184 -10.191 -19.127 1.00 43.45 C ATOM 1721 O LEU A 172 3.569 -11.293 -19.531 1.00 49.17 O ATOM 1722 CB LEU A 172 4.030 -9.878 -16.795 1.00 42.91 C ATOM 1723 CG LEU A 172 5.068 -9.236 -15.878 1.00 55.91 C ATOM 1724 CD1 LEU A 172 4.827 -9.599 -14.432 1.00 49.58 C ATOM 1725 CD2 LEU A 172 6.448 -9.675 -16.313 1.00 45.72 C ATOM 1726 H LEU A 172 3.005 -7.581 -17.568 1.00 0.00 H ATOM 1727 N TRP A 173 1.998 -9.681 -19.448 1.00 57.11 N ATOM 1728 CA TRP A 173 1.005 -10.493 -20.144 1.00 49.91 C ATOM 1729 C TRP A 173 1.435 -10.950 -21.533 1.00 45.35 C ATOM 1730 O TRP A 173 1.271 -12.119 -21.873 1.00 53.39 O ATOM 1731 CB TRP A 173 -0.349 -9.784 -20.219 1.00 57.13 C ATOM 1732 CG TRP A 173 -1.371 -10.600 -20.941 1.00 59.89 C ATOM 1733 CD1 TRP A 173 -1.910 -10.346 -22.169 1.00 64.17 C ATOM 1734 CD2 TRP A 173 -1.951 -11.831 -20.495 1.00 56.25 C ATOM 1735 NE1 TRP A 173 -2.804 -11.335 -22.507 1.00 66.30 N ATOM 1736 CE2 TRP A 173 -2.846 -12.260 -21.496 1.00 58.61 C ATOM 1737 CE3 TRP A 173 -1.805 -12.611 -19.343 1.00 55.90 C ATOM 1738 CZ2 TRP A 173 -3.591 -13.431 -21.380 1.00 53.41 C ATOM 1739 CZ3 TRP A 173 -2.548 -13.772 -19.227 1.00 51.52 C ATOM 1740 CH2 TRP A 173 -3.429 -14.171 -20.238 1.00 54.79 C ATOM 1741 HE1 TRP A 173 -3.358 -11.375 -23.386 1.00 0.00 H ATOM 1742 H TRP A 173 1.777 -8.695 -19.201 1.00 0.00 H ATOM 1743 N ASP A 174 1.984 -10.038 -22.329 1.00 54.10 N ATOM 1744 CA ASP A 174 2.369 -10.363 -23.704 1.00 60.92 C ATOM 1745 C ASP A 174 3.323 -11.561 -23.814 1.00 53.60 C ATOM 1746 O ASP A 174 3.150 -12.428 -24.673 1.00 61.99 O ATOM 1747 CB ASP A 174 2.967 -9.134 -24.388 1.00 74.24 C ATOM 1748 CG ASP A 174 1.937 -8.049 -24.636 1.00 99.40 C ATOM 1749 OD1 ASP A 174 0.862 -8.364 -25.192 1.00 93.88 O ATOM 1750 OD2 ASP A 174 2.199 -6.883 -24.265 1.00107.52 O ATOM 1751 H ASP A 174 2.143 -9.076 -21.969 1.00 0.00 H ATOM 1752 N SER A 175 4.324 -11.606 -22.939 1.00 58.43 N ATOM 1753 CA SER A 175 5.280 -12.706 -22.932 1.00 56.36 C ATOM 1754 C SER A 175 4.641 -13.984 -22.388 1.00 56.17 C ATOM 1755 O SER A 175 4.807 -15.064 -22.961 1.00 55.92 O ATOM 1756 CB SER A 175 6.512 -12.333 -22.103 1.00 58.71 C ATOM 1757 OG SER A 175 7.399 -13.428 -21.973 1.00 61.20 O ATOM 1758 HG SER A 175 8.182 -13.154 -21.433 1.00 0.00 H ATOM 1759 H SER A 175 4.427 -10.839 -22.244 1.00 0.00 H ATOM 1760 N PHE A 176 3.907 -13.856 -21.286 1.00 49.39 N ATOM 1761 CA PHE A 176 3.285 -15.011 -20.642 1.00 58.12 C ATOM 1762 C PHE A 176 2.298 -15.733 -21.560 1.00 63.62 C ATOM 1763 O PHE A 176 2.265 -16.962 -21.614 1.00 61.42 O ATOM 1764 CB PHE A 176 2.584 -14.591 -19.346 1.00 52.37 C ATOM 1765 CG PHE A 176 1.797 -15.697 -18.699 1.00 61.74 C ATOM 1766 CD1 PHE A 176 2.444 -16.733 -18.040 1.00 59.24 C ATOM 1767 CD2 PHE A 176 0.411 -15.701 -18.749 1.00 67.99 C ATOM 1768 CE1 PHE A 176 1.723 -17.754 -17.446 1.00 55.98 C ATOM 1769 CE2 PHE A 176 -0.316 -16.716 -18.155 1.00 60.70 C ATOM 1770 CZ PHE A 176 0.342 -17.743 -17.503 1.00 68.14 C ATOM 1771 H PHE A 176 3.773 -12.911 -20.873 1.00 0.00 H ATOM 1772 N ARG A 177 1.509 -14.956 -22.289 1.00 60.41 N ATOM 1773 CA ARG A 177 0.431 -15.492 -23.111 1.00 76.53 C ATOM 1774 C ARG A 177 0.901 -16.359 -24.289 1.00 81.82 C ATOM 1775 O ARG A 177 0.180 -17.260 -24.733 1.00 87.21 O ATOM 1776 CB ARG A 177 -0.455 -14.341 -23.596 1.00 66.99 C ATOM 1777 CG ARG A 177 -1.456 -14.715 -24.664 1.00 79.10 C ATOM 1778 CD ARG A 177 -1.154 -13.965 -25.944 1.00104.13 C ATOM 1779 NE ARG A 177 -2.003 -12.789 -26.101 1.00102.43 N ATOM 1780 CZ ARG A 177 -1.610 -11.663 -26.687 1.00102.88 C ATOM 1781 NH1 ARG A 177 -2.447 -10.639 -26.790 1.00106.60 N ATOM 1782 NH2 ARG A 177 -0.378 -11.559 -27.168 1.00 99.52 N ATOM 1783 HE ARG A 177 -2.974 -12.835 -25.732 1.00 0.00 H ATOM 1784 HH12 ARG A 177 -2.138 -9.759 -27.249 1.00 0.00 H ATOM 1785 HH11 ARG A 177 -3.413 -10.717 -26.412 1.00 0.00 H ATOM 1786 HH22 ARG A 177 -0.071 -10.677 -27.626 1.00 0.00 H ATOM 1787 HH21 ARG A 177 0.281 -12.359 -27.087 1.00 0.00 H ATOM 1788 H ARG A 177 1.665 -13.928 -22.274 1.00 0.00 H ATOM 1789 N GLN A 178 2.107 -16.100 -24.789 1.00 79.85 N ATOM 1790 CA GLN A 178 2.617 -16.845 -25.941 1.00 90.76 C ATOM 1791 C GLN A 178 3.725 -17.836 -25.577 1.00 81.73 C ATOM 1792 O GLN A 178 4.297 -18.487 -26.454 1.00 83.03 O ATOM 1793 CB GLN A 178 3.101 -15.891 -27.037 1.00 89.39 C ATOM 1794 CG GLN A 178 4.378 -15.144 -26.697 1.00 81.26 C ATOM 1795 CD GLN A 178 4.914 -14.354 -27.872 1.00 89.68 C ATOM 1796 OE1 GLN A 178 4.246 -14.211 -28.897 1.00 96.18 O ATOM 1797 NE2 GLN A 178 6.129 -13.838 -27.731 1.00 93.20 N ATOM 1798 HE22 GLN A 178 6.657 -13.984 -26.847 1.00 0.00 H ATOM 1799 HE21 GLN A 178 6.553 -13.287 -28.505 1.00 0.00 H ATOM 1800 H GLN A 178 2.694 -15.359 -24.356 1.00 0.00 H ATOM 1801 N SER A 179 4.019 -17.953 -24.287 1.00 77.25 N ATOM 1802 CA SER A 179 5.039 -18.888 -23.827 1.00 71.44 C ATOM 1803 C SER A 179 4.432 -20.246 -23.495 1.00 73.39 C ATOM 1804 O SER A 179 5.118 -21.129 -22.977 1.00 81.28 O ATOM 1805 CB SER A 179 5.770 -18.335 -22.604 1.00 70.68 C ATOM 1806 OG SER A 179 4.923 -18.327 -21.468 1.00 86.04 O ATOM 1807 HG SER A 179 4.133 -17.759 -21.651 1.00 0.00 H ATOM 1808 H SER A 179 3.513 -17.367 -23.593 1.00 0.00 H ATOM 1809 N GLU A 180 3.147 -20.412 -23.792 1.00 70.94 N ATOM 1810 CA GLU A 180 2.478 -21.683 -23.540 1.00 87.28 C ATOM 1811 C GLU A 180 2.959 -22.771 -24.497 1.00 95.08 C ATOM 1812 O GLU A 180 2.942 -22.588 -25.716 1.00 85.97 O ATOM 1813 CB GLU A 180 0.961 -21.530 -23.619 1.00 71.20 C ATOM 1814 CG GLU A 180 0.217 -22.819 -23.321 1.00 67.03 C ATOM 1815 CD GLU A 180 -1.221 -22.583 -22.926 1.00 70.58 C ATOM 1816 OE1 GLU A 180 -1.613 -21.406 -22.776 1.00 70.53 O ATOM 1817 OE2 GLU A 180 -1.957 -23.577 -22.762 1.00 68.26 O ATOM 1818 H GLU A 180 2.611 -19.625 -24.210 1.00 0.00 H ATOM 1819 N ARG A 181 3.369 -23.903 -23.926 1.00101.90 N ATOM 1820 CA ARG A 181 4.011 -24.989 -24.668 1.00105.67 C ATOM 1821 C ARG A 181 5.227 -24.493 -25.447 1.00 95.61 C ATOM 1822 O ARG A 181 6.128 -23.875 -24.879 1.00 91.07 O ATOM 1823 CB ARG A 181 3.023 -25.699 -25.601 1.00104.90 C ATOM 1824 CG ARG A 181 3.660 -26.796 -26.451 1.00110.84 C ATOM 1825 CD ARG A 181 4.323 -27.870 -25.589 1.00112.53 C ATOM 1826 NE ARG A 181 4.906 -28.940 -26.397 1.00121.40 N ATOM 1827 CZ ARG A 181 6.211 -29.116 -26.589 1.00118.64 C ATOM 1828 NH1 ARG A 181 7.086 -28.296 -26.021 1.00112.68 N ATOM 1829 NH2 ARG A 181 6.644 -30.118 -27.344 1.00 90.17 N ATOM 1830 HE ARG A 181 4.255 -29.611 -26.854 1.00 0.00 H ATOM 1831 HH12 ARG A 181 8.105 -28.437 -26.173 1.00 0.00 H ATOM 1832 HH11 ARG A 181 6.753 -27.513 -25.424 1.00 0.00 H ATOM 1833 HH22 ARG A 181 7.664 -30.254 -27.493 1.00 0.00 H ATOM 1834 HH21 ARG A 181 5.963 -30.767 -27.787 1.00 0.00 H ATOM 1835 H ARG A 181 3.226 -24.021 -22.903 1.00 0.00 H TER 1836 ARG A 181 HETATM 1837 MN MN A 1 -2.123 -32.769 -13.050 1.00104.48 MN HETATM 1838 O HOH 2 -4.348 -30.243 -15.115 1.00 33.87 O HETATM 1839 O HOH 3 -1.946 -34.352 -28.503 1.00 62.79 O HETATM 1840 O HOH 4 -11.006 -43.265 -17.888 1.00 77.06 O HETATM 1841 O HOH 5 -17.058 -34.537 -12.415 1.00 40.15 O HETATM 1842 O HOH 6 -8.870 -44.843 -0.619 1.00 43.29 O HETATM 1843 O HOH 7 -11.316 -37.417 1.680 1.00 58.75 O HETATM 1844 O HOH 8 6.986 -19.257 -0.308 1.00 59.72 O HETATM 1845 O HOH 9 4.239 -5.506 -23.434 1.00 60.56 O HETATM 1846 O HOH 10 -12.721 -19.461 -17.966 1.00 43.14 O HETATM 1847 O HOH 11 -17.342 -46.687 -5.858 1.00 70.99 O HETATM 1848 O HOH 12 5.778 -9.332 -21.701 1.00 57.29 O HETATM 1849 O HOH 13 -16.732 -30.266 -15.113 1.00 38.57 O HETATM 1850 O HOH 14 11.604 -13.039 -13.371 1.00 50.84 O HETATM 1851 O HOH 15 -21.062 -26.055 -6.405 1.00 46.54 O HETATM 1852 O HOH 16 -8.202 -33.361 -0.196 1.00 52.31 O HETATM 1853 O HOH 17 1.538 -7.046 -21.477 1.00 52.51 O HETATM 1854 O HOH 18 -7.742 -11.922 -6.794 1.00 55.76 O HETATM 1855 O HOH 19 8.590 -6.280 -10.890 1.00 56.71 O HETATM 1856 O HOH 20 -13.696 -31.050 -1.495 1.00 57.92 O HETATM 1857 O HOH 21 -12.047 -41.380 -14.131 1.00 55.46 O HETATM 1858 O HOH 22 -1.572 -21.744 -30.365 1.00 55.93 O HETATM 1859 O HOH 23 -5.492 -48.521 0.073 1.00 59.97 O HETATM 1860 O HOH 24 -14.169 -29.307 -29.335 1.00 69.19 O HETATM 1861 OAP UNN A 25 0.300 -25.119 -17.161 1.00 -0.34 O HETATM 1862 CAO UNN A 25 0.750 -25.667 -16.155 1.00 0.18 C HETATM 1863 CAM UNN A 25 0.242 -26.885 -15.713 1.00 0.20 C HETATM 1864 CAK UNN A 25 0.774 -27.511 -14.584 1.00 0.10 C HETATM 1865 CAI UNN A 25 0.274 -28.743 -14.146 1.00 0.13 C HETATM 1866 CAJ UNN A 25 -0.773 -29.351 -14.844 1.00 0.11 C HETATM 1867 CAL UNN A 25 -1.294 -28.737 -15.982 1.00 0.26 C HETATM 1868 CAN UNN A 25 -0.798 -27.509 -16.393 1.00 0.31 C HETATM 1869 OAQ UNN A 25 -1.325 -26.916 -17.503 1.00 -0.21 O HETATM 1870 H3 UNN A 25 -2.021 -27.461 -17.851 1.00 0.33 H HETATM 1871 NAR UNN A 25 -2.302 -29.257 -16.681 1.00 -0.17 N HETATM 1872 OAT UNN A 25 -2.942 -28.434 -17.792 1.00 -0.48 O HETATM 1873 OAS UNN A 25 -2.803 -30.488 -16.276 1.00 -0.48 O HETATM 1874 H4 UNN A 25 -1.178 -30.296 -14.502 1.00 0.12 H HETATM 1875 CAH UNN A 25 0.822 -29.350 -13.003 1.00 0.11 C HETATM 1876 CAB UNN A 25 1.401 -30.592 -13.297 1.00 0.06 C HETATM 1877 CAA UNN A 25 2.696 -30.668 -13.805 1.00 0.09 C HETATM 1878 CLG UNN A 25 3.630 -29.225 -14.094 1.00 -0.05 CL HETATM 1879 CAF UNN A 25 3.254 -31.912 -14.090 1.00 -0.02 C HETATM 1880 CAE UNN A 25 2.536 -33.083 -13.870 1.00 -0.04 C HETATM 1881 CAD UNN A 25 1.246 -33.013 -13.359 1.00 -0.03 C HETATM 1882 CAC UNN A 25 0.688 -31.770 -13.073 1.00 -0.01 C HETATM 1883 H10 UNN A 25 -0.317 -31.717 -12.670 1.00 0.08 H HETATM 1884 H9 UNN A 25 0.678 -33.920 -13.184 1.00 0.07 H HETATM 1885 H8 UNN A 25 2.981 -34.045 -14.096 1.00 0.08 H HETATM 1886 H7 UNN A 25 4.261 -31.968 -14.488 1.00 0.07 H HETATM 1887 H5 UNN A 25 0.023 -29.497 -12.261 1.00 0.12 H HETATM 1888 H6 UNN A 25 1.594 -28.688 -12.585 1.00 0.12 H HETATM 1889 H2 UNN A 25 1.583 -27.038 -14.040 1.00 0.12 H HETATM 1890 H1 UNN A 25 1.558 -25.191 -15.602 1.00 0.14 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 894 893 1837 CONECT 1837 894 CONECT 1861 1862 CONECT 1862 1861 1863 1890 CONECT 1863 1862 1864 1868 CONECT 1864 1863 1865 1889 CONECT 1865 1864 1866 1875 CONECT 1866 1865 1867 1874 CONECT 1867 1866 1868 1871 CONECT 1868 1863 1867 1869 CONECT 1869 1868 1870 CONECT 1870 1869 CONECT 1871 1867 1872 1873 CONECT 1872 1871 CONECT 1873 1871 CONECT 1874 1866 CONECT 1875 1865 1876 1887 1888 CONECT 1876 1875 1877 1882 CONECT 1877 1876 1878 1879 CONECT 1878 1877 CONECT 1879 1877 1880 1886 CONECT 1880 1879 1881 1885 CONECT 1881 1880 1882 1884 CONECT 1882 1876 1881 1883 CONECT 1883 1882 CONECT 1884 1881 CONECT 1885 1880 CONECT 1886 1879 CONECT 1887 1875 CONECT 1888 1875 CONECT 1889 1864 CONECT 1890 1862 MASTER 0 0 0 0 0 0 0 0 1889 1 36 14 END
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Related entries of code: 5fdd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
183aa, >4AWK_1|Chain... at 95%
4yyl
RCSB PDB
PDBbind
191aa, >4YYL_1|Chain... at 93%
5fdg
RCSB PDB
PDBbind
191aa, >5FDG_1|Chain... at 93%
5i13
RCSB PDB
PDBbind
191aa, >5I13_1|Chain... at 93%
5w3i
RCSB PDB
PDBbind
201aa, >5W3I_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fdd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
influenza strain H1N1 polymerase acidic subunit N-terminal region
Ligand Name
4P8
EC.Number
E.C.-.-.-.-
Resolution
2.51(Å)
Affinity (Kd/Ki/IC50)
IC50=63.30uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 2646-2660
Ligand Properties
Formula
C
1
4
H
1
0
ClNO
4
Molecular Weight
291.687
Exact Mass
291.030
No. of atoms
30
No. of bonds
31
Polar Surface Area
83.12
LOGP Value
3.96 (
Computed with XLOGP3
)
3.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=Cc1cc(Cc2ccccc2Cl)cc(c1O)N(=O)=O
InChI String
InChI=1S/C14H10ClNO4/c15-12-4-2-1-3-10(12)5-9-6-11(8-17)14(18)13(7-9)16(19)20/h1-4,6-8,18H,5H2
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):
P03433
Entrez Gene ID
NCBI Entrez Gene ID:
956535
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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