Browse entries in the PDBbind-CN Database
HEADER 6MLE_COMPLEX COMPND 6MLE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 E 238 ALA LEU PRO GLN THR VAL ARG ILE GLY THR ASP THR THR SEQRES 2 E 238 TYR ALA PRO PHE SER SER LYS ASP ALA LYS GLY GLU PHE SEQRES 3 E 238 ILE GLY PHE ASP ILE ASP LEU GLY ASN GLU MET CYS LYS SEQRES 4 E 238 ARG MET GLN VAL LYS CYS THR TRP VAL ALA SER ASP PHE SEQRES 5 E 238 ASP ALA LEU ILE PRO SER LEU LYS ALA LYS LYS ILE ASP SEQRES 6 E 238 ALA ILE ILE SER SER LEU SER ILE THR ASP LYS ARG GLN SEQRES 7 E 238 GLN GLU ILE ALA PHE SER ASP LYS LEU TYR ALA ALA ASP SEQRES 8 E 238 SER ARG LEU ILE ALA ALA LYS GLY SER PRO ILE GLN PRO SEQRES 9 E 238 THR LEU GLU SER LEU LYS GLY LYS HIS VAL GLY VAL LEU SEQRES 10 E 238 GLN GLY SER THR GLN GLU ALA TYR ALA ASN ASP ASN TRP SEQRES 11 E 238 ARG THR LYS GLY VAL ASP VAL VAL ALA TYR ALA ASN GLN SEQRES 12 E 238 ASP LEU ILE TYR SER ASP LEU THR ALA GLY ARG LEU ASP SEQRES 13 E 238 ALA ALA LEU GLN ASP GLU VAL ALA ALA SER GLU GLY PHE SEQRES 14 E 238 LEU LYS GLN PRO ALA GLY LYS GLU TYR ALA PHE ALA GLY SEQRES 15 E 238 PRO SER VAL LYS ASP LYS LYS TYR PHE GLY ASP GLY THR SEQRES 16 E 238 GLY VAL GLY LEU ARG LYS ASP ASP THR GLU LEU LYS ALA SEQRES 17 E 238 ALA PHE ASP LYS ALA LEU THR GLU LEU ARG GLN ASP GLY SEQRES 18 E 238 THR TYR ASP LYS MET ALA LYS LYS TYR PHE ASP PHE ASN SEQRES 19 E 238 VAL TYR GLY ASP HET ARG A 564 27 SSBOND 1 CYS E 38 CYS E 45 ATOM 1 N ALA E 1 0.516 28.583 -6.817 1.00 36.54 N ATOM 2 CA ALA E 1 1.935 28.407 -7.131 1.00 40.80 C ATOM 3 C ALA E 1 2.418 26.971 -6.894 1.00 39.34 C ATOM 4 O ALA E 1 2.290 26.427 -5.795 1.00 37.17 O ATOM 5 CB ALA E 1 2.775 29.377 -6.318 1.00 36.88 C ATOM 6 HN3 ALA E 1 0.352 28.352 -5.816 1.00 0.00 H ATOM 7 HN2 ALA E 1 -0.052 27.951 -7.417 1.00 0.00 H ATOM 8 HN1 ALA E 1 0.243 29.571 -6.995 1.00 0.00 H ATOM 9 N LEU E 2 2.977 26.361 -7.931 1.00 30.27 N ATOM 10 CA LEU E 2 3.545 25.024 -7.798 1.00 33.37 C ATOM 11 C LEU E 2 4.820 25.092 -6.968 1.00 37.80 C ATOM 12 O LEU E 2 5.502 26.118 -6.972 1.00 35.58 O ATOM 13 CB LEU E 2 3.832 24.413 -9.172 1.00 29.17 C ATOM 14 CG LEU E 2 2.656 24.341 -10.148 1.00 33.65 C ATOM 15 CD1 LEU E 2 3.100 23.744 -11.477 1.00 34.99 C ATOM 16 CD2 LEU E 2 1.508 23.549 -9.552 1.00 31.40 C ATOM 17 H LEU E 2 3.011 26.843 -8.852 1.00 0.00 H ATOM 18 N PRO E 3 5.142 24.006 -6.241 1.00 36.05 N ATOM 19 CA PRO E 3 6.378 24.011 -5.450 1.00 37.02 C ATOM 20 C PRO E 3 7.601 24.206 -6.352 1.00 34.48 C ATOM 21 O PRO E 3 7.559 23.820 -7.523 1.00 35.53 O ATOM 22 CB PRO E 3 6.377 22.631 -4.773 1.00 32.86 C ATOM 23 CG PRO E 3 5.377 21.801 -5.535 1.00 28.38 C ATOM 24 CD PRO E 3 4.368 22.762 -6.073 1.00 35.95 C ATOM 25 N GLN E 4 8.654 24.825 -5.828 1.00 33.91 N ATOM 26 CA GLN E 4 9.863 25.088 -6.615 1.00 33.04 C ATOM 27 C GLN E 4 10.463 23.785 -7.147 1.00 29.17 C ATOM 28 O GLN E 4 11.027 23.740 -8.242 1.00 31.00 O ATOM 29 CB GLN E 4 10.895 25.845 -5.778 1.00 31.46 C ATOM 30 H GLN E 4 8.620 25.131 -4.835 1.00 0.00 H ATOM 31 N THR E 5 10.327 22.726 -6.357 1.00 26.85 N ATOM 32 CA THR E 5 10.755 21.391 -6.757 1.00 22.30 C ATOM 33 C THR E 5 9.634 20.395 -6.483 1.00 23.59 C ATOM 34 O THR E 5 9.215 20.229 -5.338 1.00 25.53 O ATOM 35 CB THR E 5 12.028 20.950 -6.002 1.00 25.61 C ATOM 36 OG1 THR E 5 13.126 21.789 -6.379 1.00 25.68 O ATOM 37 CG2 THR E 5 12.371 19.512 -6.336 1.00 24.54 C ATOM 38 HG1 THR E 5 13.940 21.503 -5.893 1.00 0.00 H ATOM 39 H THR E 5 9.899 22.854 -5.418 1.00 0.00 H ATOM 40 N VAL E 6 9.143 19.746 -7.536 1.00 19.42 N ATOM 41 CA VAL E 6 8.172 18.668 -7.389 1.00 17.52 C ATOM 42 C VAL E 6 8.915 17.354 -7.164 1.00 12.92 C ATOM 43 O VAL E 6 9.688 16.929 -8.017 1.00 16.13 O ATOM 44 CB VAL E 6 7.259 18.545 -8.627 1.00 17.67 C ATOM 45 CG1 VAL E 6 6.362 17.324 -8.511 1.00 19.48 C ATOM 46 CG2 VAL E 6 6.426 19.810 -8.799 1.00 22.20 C ATOM 47 H VAL E 6 9.460 20.015 -8.489 1.00 0.00 H ATOM 48 N ARG E 7 8.693 16.729 -6.011 1.00 13.46 N ATOM 49 CA ARG E 7 9.365 15.478 -5.673 1.00 17.41 C ATOM 50 C ARG E 7 8.514 14.309 -6.157 1.00 18.23 C ATOM 51 O ARG E 7 7.339 14.202 -5.790 1.00 11.02 O ATOM 52 CB ARG E 7 9.621 15.400 -4.158 1.00 10.46 C ATOM 53 CG ARG E 7 10.524 16.532 -3.662 1.00 16.89 C ATOM 54 CD ARG E 7 10.541 16.670 -2.131 1.00 19.15 C ATOM 55 NE ARG E 7 10.650 15.385 -1.458 1.00 15.18 N ATOM 56 CZ ARG E 7 11.758 14.649 -1.410 1.00 16.13 C ATOM 57 NH1 ARG E 7 12.877 15.062 -2.007 1.00 15.94 N ATOM 58 NH2 ARG E 7 11.742 13.486 -0.778 1.00 17.45 N ATOM 59 HE ARG E 7 9.803 15.016 -0.981 1.00 0.00 H ATOM 60 HH12 ARG E 7 13.736 14.478 -1.962 1.00 0.00 H ATOM 61 HH11 ARG E 7 12.890 15.968 -2.517 1.00 0.00 H ATOM 62 HH22 ARG E 7 12.604 12.905 -0.736 1.00 0.00 H ATOM 63 HH21 ARG E 7 10.868 13.153 -0.323 1.00 0.00 H ATOM 64 H ARG E 7 8.023 17.143 -5.332 1.00 0.00 H ATOM 65 N ILE E 8 9.092 13.457 -7.005 1.00 16.11 N ATOM 66 CA ILE E 8 8.341 12.373 -7.633 1.00 10.66 C ATOM 67 C ILE E 8 8.896 11.025 -7.189 1.00 14.26 C ATOM 68 O ILE E 8 10.054 10.705 -7.447 1.00 15.12 O ATOM 69 CB ILE E 8 8.378 12.453 -9.187 1.00 13.34 C ATOM 70 CG1 ILE E 8 8.072 13.878 -9.688 1.00 7.08 C ATOM 71 CG2 ILE E 8 7.423 11.441 -9.792 1.00 14.05 C ATOM 72 CD1 ILE E 8 8.030 13.994 -11.205 1.00 13.69 C ATOM 73 H ILE E 8 10.103 13.567 -7.225 1.00 0.00 H ATOM 74 N GLY E 9 8.067 10.248 -6.500 1.00 16.63 N ATOM 75 CA GLY E 9 8.471 8.932 -6.055 1.00 10.15 C ATOM 76 C GLY E 9 8.249 7.900 -7.147 1.00 10.76 C ATOM 77 O GLY E 9 7.295 7.990 -7.917 1.00 13.39 O ATOM 78 H GLY E 9 7.111 10.592 -6.277 1.00 0.00 H ATOM 79 N THR E 10 9.129 6.909 -7.218 1.00 12.69 N ATOM 80 CA THR E 10 8.973 5.838 -8.201 1.00 10.49 C ATOM 81 C THR E 10 9.684 4.600 -7.683 1.00 14.66 C ATOM 82 O THR E 10 10.642 4.709 -6.920 1.00 15.21 O ATOM 83 CB THR E 10 9.531 6.241 -9.584 1.00 15.54 C ATOM 84 OG1 THR E 10 9.128 5.283 -10.576 1.00 16.01 O ATOM 85 CG2 THR E 10 11.058 6.361 -9.562 1.00 15.72 C ATOM 86 HG1 THR E 10 8.139 5.251 -10.620 1.00 0.00 H ATOM 87 H THR E 10 9.939 6.894 -6.566 1.00 0.00 H ATOM 88 N ASP E 11 9.186 3.428 -8.069 1.00 11.39 N ATOM 89 CA ASP E 11 9.828 2.174 -7.729 1.00 9.85 C ATOM 90 C ASP E 11 10.570 1.694 -8.965 1.00 16.11 C ATOM 91 O ASP E 11 9.953 1.295 -9.953 1.00 18.93 O ATOM 92 CB ASP E 11 8.794 1.140 -7.267 1.00 16.48 C ATOM 93 CG ASP E 11 9.358 -0.259 -7.193 1.00 24.37 C ATOM 94 OD1 ASP E 11 10.515 -0.415 -6.763 1.00 22.15 O ATOM 95 OD2 ASP E 11 8.631 -1.207 -7.551 1.00 25.62 O ATOM 96 H ASP E 11 8.311 3.411 -8.631 1.00 0.00 H ATOM 97 N THR E 12 11.894 1.752 -8.899 1.00 14.64 N ATOM 98 CA THR E 12 12.762 1.464 -10.039 1.00 20.10 C ATOM 99 C THR E 12 13.045 -0.018 -10.260 1.00 20.56 C ATOM 100 O THR E 12 14.181 -0.394 -10.522 1.00 18.10 O ATOM 101 CB THR E 12 14.117 2.174 -9.884 1.00 21.46 C ATOM 102 OG1 THR E 12 14.715 1.797 -8.637 1.00 20.79 O ATOM 103 CG2 THR E 12 13.915 3.664 -9.880 1.00 22.62 C ATOM 104 HG1 THR E 12 14.852 0.817 -8.621 1.00 0.00 H ATOM 105 H THR E 12 12.334 2.015 -7.994 1.00 0.00 H ATOM 106 N THR E 13 12.015 -0.853 -10.169 1.00 14.47 N ATOM 107 CA THR E 13 12.178 -2.277 -10.441 1.00 14.30 C ATOM 108 C THR E 13 11.073 -2.763 -11.374 1.00 19.82 C ATOM 109 O THR E 13 10.533 -3.853 -11.203 1.00 23.65 O ATOM 110 CB THR E 13 12.161 -3.114 -9.145 1.00 18.90 C ATOM 111 OG1 THR E 13 10.856 -3.056 -8.565 1.00 26.03 O ATOM 112 CG2 THR E 13 13.165 -2.587 -8.146 1.00 19.37 C ATOM 113 HG1 THR E 13 10.195 -3.421 -9.205 1.00 0.00 H ATOM 114 H THR E 13 11.080 -0.486 -9.900 1.00 0.00 H ATOM 115 N TYR E 14 10.738 -1.945 -12.367 1.00 21.44 N ATOM 116 CA TYR E 14 9.611 -2.237 -13.236 1.00 10.63 C ATOM 117 C TYR E 14 9.939 -1.742 -14.656 1.00 14.63 C ATOM 118 O TYR E 14 9.247 -0.899 -15.231 1.00 14.50 O ATOM 119 CB TYR E 14 8.330 -1.590 -12.663 1.00 13.92 C ATOM 120 CG TYR E 14 7.061 -2.442 -12.722 1.00 12.86 C ATOM 121 CD1 TYR E 14 6.968 -3.629 -12.003 1.00 9.01 C ATOM 122 CD2 TYR E 14 5.944 -2.031 -13.453 1.00 10.44 C ATOM 123 CE1 TYR E 14 5.838 -4.397 -12.029 1.00 13.17 C ATOM 124 CE2 TYR E 14 4.792 -2.799 -13.484 1.00 15.64 C ATOM 125 CZ TYR E 14 4.742 -3.983 -12.771 1.00 16.93 C ATOM 126 OH TYR E 14 3.583 -4.736 -12.796 1.00 18.22 O ATOM 127 HH TYR E 14 3.706 -5.547 -12.241 1.00 0.00 H ATOM 128 H TYR E 14 11.293 -1.080 -12.525 1.00 0.00 H ATOM 129 N ALA E 15 11.025 -2.263 -15.214 1.00 14.60 N ATOM 130 CA ALA E 15 11.366 -1.959 -16.596 1.00 14.54 C ATOM 131 C ALA E 15 10.234 -2.434 -17.506 1.00 15.72 C ATOM 132 O ALA E 15 9.616 -3.463 -17.241 1.00 15.33 O ATOM 133 CB ALA E 15 12.690 -2.622 -16.979 1.00 14.39 C ATOM 134 H ALA E 15 11.638 -2.894 -14.659 1.00 0.00 H ATOM 135 N PRO E 16 9.981 -1.716 -18.605 1.00 15.50 N ATOM 136 CA PRO E 16 10.723 -0.572 -19.133 1.00 14.95 C ATOM 137 C PRO E 16 10.158 0.767 -18.686 1.00 15.67 C ATOM 138 O PRO E 16 10.448 1.787 -19.308 1.00 14.44 O ATOM 139 CB PRO E 16 10.551 -0.740 -20.640 1.00 12.10 C ATOM 140 CG PRO E 16 9.133 -1.246 -20.749 1.00 16.98 C ATOM 141 CD PRO E 16 8.918 -2.139 -19.539 1.00 24.02 C ATOM 142 N PHE E 17 9.336 0.764 -17.640 1.00 13.30 N ATOM 143 CA PHE E 17 8.709 1.997 -17.184 1.00 16.17 C ATOM 144 C PHE E 17 9.596 2.739 -16.195 1.00 12.11 C ATOM 145 O PHE E 17 9.802 3.950 -16.313 1.00 16.28 O ATOM 146 CB PHE E 17 7.345 1.690 -16.574 1.00 10.73 C ATOM 147 CG PHE E 17 6.390 1.090 -17.563 1.00 13.88 C ATOM 148 CD1 PHE E 17 5.821 1.879 -18.551 1.00 14.15 C ATOM 149 CD2 PHE E 17 6.107 -0.271 -17.545 1.00 12.71 C ATOM 150 CE1 PHE E 17 4.949 1.333 -19.493 1.00 17.72 C ATOM 151 CE2 PHE E 17 5.236 -0.827 -18.486 1.00 14.88 C ATOM 152 CZ PHE E 17 4.657 -0.019 -19.460 1.00 15.12 C ATOM 153 H PHE E 17 9.139 -0.128 -17.143 1.00 0.00 H ATOM 154 N SER E 18 10.128 2.007 -15.227 1.00 15.29 N ATOM 155 CA SER E 18 11.026 2.602 -14.247 1.00 15.41 C ATOM 156 C SER E 18 12.039 1.574 -13.763 1.00 17.32 C ATOM 157 O SER E 18 11.679 0.513 -13.232 1.00 14.69 O ATOM 158 CB SER E 18 10.238 3.183 -13.065 1.00 16.96 C ATOM 159 OG SER E 18 11.119 3.735 -12.092 1.00 18.81 O ATOM 160 HG SER E 18 10.590 4.103 -11.341 1.00 0.00 H ATOM 161 H SER E 18 9.901 0.994 -15.166 1.00 0.00 H ATOM 162 N SER E 19 13.311 1.883 -13.981 1.00 13.38 N ATOM 163 CA SER E 19 14.396 1.047 -13.489 1.00 19.93 C ATOM 164 C SER E 19 15.677 1.865 -13.450 1.00 16.32 C ATOM 165 O SER E 19 15.668 3.059 -13.736 1.00 21.40 O ATOM 166 CB SER E 19 14.573 -0.203 -14.364 1.00 20.71 C ATOM 167 OG SER E 19 14.980 0.142 -15.675 1.00 19.93 O ATOM 168 HG SER E 19 14.295 0.724 -16.090 1.00 0.00 H ATOM 169 H SER E 19 13.538 2.745 -14.517 1.00 0.00 H ATOM 170 N LYS E 20 16.783 1.227 -13.087 1.00 18.60 N ATOM 171 CA LYS E 20 18.044 1.944 -12.972 1.00 18.71 C ATOM 172 C LYS E 20 19.050 1.459 -14.008 1.00 19.36 C ATOM 173 O LYS E 20 19.118 0.261 -14.317 1.00 19.93 O ATOM 174 CB LYS E 20 18.616 1.792 -11.560 1.00 21.31 C ATOM 175 CG LYS E 20 17.872 2.577 -10.489 1.00 32.36 C ATOM 176 CD LYS E 20 18.640 2.580 -9.173 1.00 38.69 C ATOM 177 CE LYS E 20 18.264 3.784 -8.304 1.00 46.19 C ATOM 178 NZ LYS E 20 19.474 4.448 -7.718 1.00 46.12 N ATOM 179 HZ1 LYS E 20 19.990 3.766 -7.126 1.00 0.00 H ATOM 180 HZ2 LYS E 20 20.092 4.779 -8.486 1.00 0.00 H ATOM 181 HZ3 LYS E 20 19.176 5.258 -7.137 1.00 0.00 H ATOM 182 H LYS E 20 16.748 0.208 -12.883 1.00 0.00 H ATOM 183 N ASP E 21 19.840 2.387 -14.541 1.00 18.76 N ATOM 184 CA ASP E 21 20.898 2.000 -15.460 1.00 14.22 C ATOM 185 C ASP E 21 22.128 1.565 -14.660 1.00 21.25 C ATOM 186 O ASP E 21 22.062 1.410 -13.444 1.00 22.77 O ATOM 187 CB ASP E 21 21.233 3.134 -16.452 1.00 21.80 C ATOM 188 CG ASP E 21 21.868 4.362 -15.790 1.00 30.98 C ATOM 189 OD1 ASP E 21 22.364 4.282 -14.650 1.00 24.70 O ATOM 190 OD2 ASP E 21 21.881 5.431 -16.439 1.00 35.83 O ATOM 191 H ASP E 21 19.701 3.389 -14.300 1.00 0.00 H ATOM 192 N ALA E 22 23.253 1.389 -15.336 1.00 19.04 N ATOM 193 CA ALA E 22 24.427 0.832 -14.676 1.00 24.34 C ATOM 194 C ALA E 22 25.026 1.825 -13.684 1.00 24.22 C ATOM 195 O ALA E 22 25.718 1.431 -12.745 1.00 26.89 O ATOM 196 CB ALA E 22 25.463 0.412 -15.709 1.00 29.02 C ATOM 197 H ALA E 22 23.299 1.649 -16.342 1.00 0.00 H ATOM 198 N LYS E 23 24.758 3.110 -13.915 1.00 22.13 N ATOM 199 CA LYS E 23 25.229 4.190 -13.052 1.00 26.60 C ATOM 200 C LYS E 23 24.315 4.380 -11.852 1.00 17.58 C ATOM 201 O LYS E 23 24.624 5.130 -10.930 1.00 19.56 O ATOM 202 CB LYS E 23 25.304 5.509 -13.826 1.00 28.72 C ATOM 203 CG LYS E 23 26.614 5.795 -14.515 1.00 32.00 C ATOM 204 CD LYS E 23 26.476 6.998 -15.437 1.00 39.43 C ATOM 205 CE LYS E 23 25.905 8.211 -14.704 1.00 39.09 C ATOM 206 NZ LYS E 23 25.956 9.468 -15.520 1.00 40.63 N ATOM 207 HZ1 LYS E 23 26.944 9.682 -15.763 1.00 0.00 H ATOM 208 HZ2 LYS E 23 25.404 9.337 -16.392 1.00 0.00 H ATOM 209 HZ3 LYS E 23 25.555 10.254 -14.969 1.00 0.00 H ATOM 210 H LYS E 23 24.187 3.355 -14.749 1.00 0.00 H ATOM 211 N GLY E 24 23.161 3.734 -11.890 1.00 22.93 N ATOM 212 CA GLY E 24 22.183 3.915 -10.842 1.00 25.15 C ATOM 213 C GLY E 24 21.194 5.018 -11.162 1.00 22.69 C ATOM 214 O GLY E 24 20.354 5.345 -10.335 1.00 23.61 O ATOM 215 H GLY E 24 22.956 3.090 -12.681 1.00 0.00 H ATOM 216 N GLU E 25 21.276 5.594 -12.356 1.00 21.34 N ATOM 217 CA GLU E 25 20.345 6.668 -12.714 1.00 22.05 C ATOM 218 C GLU E 25 18.985 6.106 -13.153 1.00 16.90 C ATOM 219 O GLU E 25 18.911 5.018 -13.706 1.00 16.21 O ATOM 220 CB GLU E 25 20.947 7.564 -13.803 1.00 26.94 C ATOM 221 CG GLU E 25 22.266 8.211 -13.380 1.00 35.98 C ATOM 222 CD GLU E 25 22.696 9.349 -14.291 1.00 38.17 C ATOM 223 H GLU E 25 21.999 5.284 -13.036 1.00 0.00 H ATOM 224 N PHE E 26 17.924 6.862 -12.881 1.00 16.47 N ATOM 225 CA PHE E 26 16.548 6.455 -13.199 1.00 15.25 C ATOM 226 C PHE E 26 16.294 6.415 -14.709 1.00 17.03 C ATOM 227 O PHE E 26 16.488 7.420 -15.392 1.00 15.54 O ATOM 228 CB PHE E 26 15.536 7.425 -12.570 1.00 14.49 C ATOM 229 CG PHE E 26 15.643 7.569 -11.073 1.00 29.06 C ATOM 230 CD1 PHE E 26 16.456 8.539 -10.507 1.00 40.83 C ATOM 231 CD2 PHE E 26 14.883 6.777 -10.235 1.00 34.67 C ATOM 232 CE1 PHE E 26 16.536 8.678 -9.129 1.00 38.82 C ATOM 233 CE2 PHE E 26 14.956 6.910 -8.857 1.00 33.94 C ATOM 234 CZ PHE E 26 15.780 7.857 -8.305 1.00 29.23 C ATOM 235 H PHE E 26 18.076 7.783 -12.422 1.00 0.00 H ATOM 236 N ILE E 27 15.843 5.279 -15.236 1.00 16.09 N ATOM 237 CA ILE E 27 15.501 5.214 -16.658 1.00 15.88 C ATOM 238 C ILE E 27 14.132 4.566 -16.928 1.00 18.90 C ATOM 239 O ILE E 27 13.602 3.820 -16.101 1.00 14.02 O ATOM 240 CB ILE E 27 16.571 4.436 -17.467 1.00 17.38 C ATOM 241 CG1 ILE E 27 16.798 3.048 -16.856 1.00 17.14 C ATOM 242 CG2 ILE E 27 17.880 5.234 -17.559 1.00 19.23 C ATOM 243 CD1 ILE E 27 17.511 2.062 -17.800 1.00 21.57 C ATOM 244 H ILE E 27 15.733 4.436 -14.637 1.00 0.00 H ATOM 245 N GLY E 28 13.567 4.855 -18.096 1.00 14.62 N ATOM 246 CA GLY E 28 12.330 4.221 -18.501 1.00 13.59 C ATOM 247 C GLY E 28 11.265 5.206 -18.953 1.00 14.30 C ATOM 248 O GLY E 28 11.445 6.425 -18.876 1.00 17.38 O ATOM 249 H GLY E 28 14.020 5.546 -18.728 1.00 0.00 H ATOM 250 N PHE E 29 10.139 4.670 -19.416 1.00 16.44 N ATOM 251 CA PHE E 29 9.076 5.501 -19.963 1.00 13.67 C ATOM 252 C PHE E 29 8.502 6.450 -18.917 1.00 16.77 C ATOM 253 O PHE E 29 8.194 7.600 -19.230 1.00 13.57 O ATOM 254 CB PHE E 29 7.956 4.631 -20.527 1.00 15.12 C ATOM 255 CG PHE E 29 7.033 5.364 -21.440 1.00 12.90 C ATOM 256 CD1 PHE E 29 7.535 6.273 -22.365 1.00 12.41 C ATOM 257 CD2 PHE E 29 5.669 5.140 -21.389 1.00 14.87 C ATOM 258 CE1 PHE E 29 6.685 6.936 -23.224 1.00 16.05 C ATOM 259 CE2 PHE E 29 4.819 5.797 -22.236 1.00 18.72 C ATOM 260 CZ PHE E 29 5.327 6.702 -23.159 1.00 19.09 C ATOM 261 H PHE E 29 10.016 3.638 -19.387 1.00 0.00 H ATOM 262 N ASP E 30 8.347 5.965 -17.682 1.00 14.17 N ATOM 263 CA ASP E 30 7.815 6.794 -16.609 1.00 12.68 C ATOM 264 C ASP E 30 8.717 8.001 -16.388 1.00 15.88 C ATOM 265 O ASP E 30 8.247 9.121 -16.171 1.00 14.42 O ATOM 266 CB ASP E 30 7.686 6.003 -15.300 1.00 14.57 C ATOM 267 CG ASP E 30 6.381 5.208 -15.206 1.00 17.88 C ATOM 268 OD1 ASP E 30 5.464 5.413 -16.040 1.00 20.44 O ATOM 269 OD2 ASP E 30 6.264 4.388 -14.266 1.00 15.16 O ATOM 270 H ASP E 30 8.611 4.979 -17.483 1.00 0.00 H ATOM 271 N ILE E 31 10.019 7.762 -16.441 1.00 15.40 N ATOM 272 CA ILE E 31 10.998 8.813 -16.195 1.00 15.95 C ATOM 273 C ILE E 31 10.938 9.839 -17.316 1.00 13.03 C ATOM 274 O ILE E 31 10.892 11.055 -17.080 1.00 13.54 O ATOM 275 CB ILE E 31 12.417 8.226 -16.090 1.00 10.49 C ATOM 276 CG1 ILE E 31 12.420 6.993 -15.175 1.00 14.42 C ATOM 277 CG2 ILE E 31 13.403 9.298 -15.641 1.00 15.25 C ATOM 278 CD1 ILE E 31 12.039 7.266 -13.744 1.00 15.60 C ATOM 279 H ILE E 31 10.350 6.802 -16.663 1.00 0.00 H ATOM 280 N ASP E 32 10.900 9.335 -18.542 1.00 11.44 N ATOM 281 CA ASP E 32 10.813 10.203 -19.716 1.00 14.91 C ATOM 282 C ASP E 32 9.550 11.071 -19.671 1.00 17.51 C ATOM 283 O ASP E 32 9.608 12.278 -19.898 1.00 15.31 O ATOM 284 CB ASP E 32 10.841 9.382 -21.006 1.00 11.94 C ATOM 285 CG ASP E 32 12.162 8.673 -21.218 1.00 21.92 C ATOM 286 OD1 ASP E 32 13.152 9.054 -20.563 1.00 25.75 O ATOM 287 OD2 ASP E 32 12.209 7.737 -22.043 1.00 19.64 O ATOM 288 H ASP E 32 10.933 8.304 -18.671 1.00 0.00 H ATOM 289 N LEU E 33 8.410 10.456 -19.373 1.00 16.47 N ATOM 290 CA LEU E 33 7.152 11.200 -19.254 1.00 13.35 C ATOM 291 C LEU E 33 7.223 12.260 -18.164 1.00 16.25 C ATOM 292 O LEU E 33 6.907 13.434 -18.396 1.00 16.46 O ATOM 293 CB LEU E 33 5.991 10.247 -18.961 1.00 13.16 C ATOM 294 CG LEU E 33 5.432 9.526 -20.180 1.00 17.01 C ATOM 295 CD1 LEU E 33 4.460 8.430 -19.769 1.00 18.50 C ATOM 296 CD2 LEU E 33 4.747 10.525 -21.087 1.00 19.05 C ATOM 297 H LEU E 33 8.410 9.427 -19.221 1.00 0.00 H ATOM 298 N GLY E 34 7.645 11.838 -16.976 1.00 15.40 N ATOM 299 CA GLY E 34 7.760 12.737 -15.847 1.00 12.41 C ATOM 300 C GLY E 34 8.619 13.943 -16.163 1.00 17.41 C ATOM 301 O GLY E 34 8.224 15.089 -15.927 1.00 16.71 O ATOM 302 H GLY E 34 7.899 10.837 -16.855 1.00 0.00 H ATOM 303 N ASN E 35 9.804 13.684 -16.709 1.00 18.58 N ATOM 304 CA ASN E 35 10.739 14.761 -17.022 1.00 18.68 C ATOM 305 C ASN E 35 10.200 15.712 -18.071 1.00 17.06 C ATOM 306 O ASN E 35 10.372 16.924 -17.959 1.00 17.52 O ATOM 307 CB ASN E 35 12.074 14.191 -17.472 1.00 14.55 C ATOM 308 CG ASN E 35 12.859 13.610 -16.319 1.00 19.42 C ATOM 309 OD1 ASN E 35 12.592 13.927 -15.160 1.00 19.31 O ATOM 310 ND2 ASN E 35 13.827 12.756 -16.626 1.00 16.63 N ATOM 311 HD22 ASN E 35 14.015 12.519 -17.621 1.00 0.00 H ATOM 312 HD21 ASN E 35 14.398 12.324 -15.872 1.00 0.00 H ATOM 313 H ASN E 35 10.068 12.700 -16.916 1.00 0.00 H ATOM 314 N GLU E 36 9.532 15.163 -19.081 1.00 15.69 N ATOM 315 CA GLU E 36 8.951 15.991 -20.136 1.00 17.93 C ATOM 316 C GLU E 36 7.809 16.851 -19.600 1.00 21.55 C ATOM 317 O GLU E 36 7.684 18.024 -19.960 1.00 17.96 O ATOM 318 CB GLU E 36 8.454 15.121 -21.296 1.00 13.57 C ATOM 319 CG GLU E 36 7.900 15.897 -22.471 1.00 16.90 C ATOM 320 CD GLU E 36 8.950 16.740 -23.189 1.00 24.07 C ATOM 321 OE1 GLU E 36 10.166 16.500 -23.013 1.00 28.02 O ATOM 322 OE2 GLU E 36 8.547 17.662 -23.921 1.00 23.49 O ATOM 323 H GLU E 36 9.421 14.130 -19.121 1.00 0.00 H ATOM 324 N MET E 37 6.961 16.271 -18.753 1.00 18.50 N ATOM 325 CA MET E 37 5.888 17.054 -18.134 1.00 19.04 C ATOM 326 C MET E 37 6.461 18.185 -17.273 1.00 16.10 C ATOM 327 O MET E 37 5.994 19.311 -17.360 1.00 18.49 O ATOM 328 CB MET E 37 4.963 16.160 -17.296 1.00 14.87 C ATOM 329 CG MET E 37 4.057 15.286 -18.152 1.00 18.72 C ATOM 330 SD MET E 37 2.820 14.374 -17.219 1.00 15.24 S ATOM 331 CE MET E 37 3.875 13.264 -16.287 1.00 11.03 C ATOM 332 H MET E 37 7.060 15.260 -18.530 1.00 0.00 H ATOM 333 N CYS E 38 7.462 17.875 -16.450 1.00 16.50 N ATOM 334 CA CYS E 38 8.118 18.878 -15.601 1.00 17.02 C ATOM 335 C CYS E 38 8.731 20.019 -16.409 1.00 21.36 C ATOM 336 O CYS E 38 8.673 21.178 -16.007 1.00 23.78 O ATOM 337 CB CYS E 38 9.206 18.234 -14.759 1.00 15.10 C ATOM 338 SG CYS E 38 8.549 17.096 -13.522 1.00 24.59 S ATOM 339 H CYS E 38 7.790 16.889 -16.407 1.00 0.00 H ATOM 340 N LYS E 39 9.356 19.665 -17.527 1.00 17.70 N ATOM 341 CA LYS E 39 9.855 20.652 -18.469 1.00 22.51 C ATOM 342 C LYS E 39 8.739 21.613 -18.858 1.00 21.63 C ATOM 343 O LYS E 39 8.874 22.828 -18.732 1.00 17.52 O ATOM 344 CB LYS E 39 10.425 19.962 -19.709 1.00 29.29 C ATOM 345 CG LYS E 39 11.075 20.909 -20.705 1.00 33.28 C ATOM 346 CD LYS E 39 11.670 20.160 -21.886 1.00 34.29 C ATOM 347 CE LYS E 39 12.462 21.100 -22.791 1.00 41.17 C ATOM 348 NZ LYS E 39 13.118 20.378 -23.929 1.00 42.36 N ATOM 349 HZ1 LYS E 39 13.774 19.664 -23.553 1.00 0.00 H ATOM 350 HZ2 LYS E 39 12.390 19.911 -24.507 1.00 0.00 H ATOM 351 HZ3 LYS E 39 13.643 21.059 -24.514 1.00 0.00 H ATOM 352 H LYS E 39 9.492 18.655 -17.733 1.00 0.00 H ATOM 353 N ARG E 40 7.619 21.061 -19.307 1.00 18.28 N ATOM 354 CA ARG E 40 6.514 21.889 -19.774 1.00 22.27 C ATOM 355 C ARG E 40 5.869 22.660 -18.637 1.00 19.69 C ATOM 356 O ARG E 40 5.369 23.762 -18.838 1.00 18.11 O ATOM 357 CB ARG E 40 5.485 21.028 -20.509 1.00 14.05 C ATOM 358 CG ARG E 40 6.045 20.610 -21.864 1.00 22.89 C ATOM 359 CD ARG E 40 5.280 19.533 -22.547 1.00 22.23 C ATOM 360 NE ARG E 40 6.045 18.976 -23.659 1.00 26.82 N ATOM 361 CZ ARG E 40 5.813 19.236 -24.941 1.00 27.17 C ATOM 362 NH1 ARG E 40 4.831 20.055 -25.287 1.00 19.94 N ATOM 363 NH2 ARG E 40 6.559 18.670 -25.877 1.00 24.95 N ATOM 364 HE ARG E 40 6.827 18.330 -23.431 1.00 0.00 H ATOM 365 HH12 ARG E 40 4.652 20.257 -26.291 1.00 0.00 H ATOM 366 HH11 ARG E 40 4.239 20.496 -24.554 1.00 0.00 H ATOM 367 HH22 ARG E 40 6.377 18.874 -26.881 1.00 0.00 H ATOM 368 HH21 ARG E 40 7.327 18.022 -25.609 1.00 0.00 H ATOM 369 H ARG E 40 7.528 20.025 -19.326 1.00 0.00 H ATOM 370 N MET E 41 5.905 22.096 -17.437 1.00 15.63 N ATOM 371 CA MET E 41 5.319 22.761 -16.280 1.00 20.52 C ATOM 372 C MET E 41 6.237 23.865 -15.771 1.00 21.24 C ATOM 373 O MET E 41 5.852 24.651 -14.907 1.00 21.65 O ATOM 374 CB MET E 41 5.029 21.744 -15.169 1.00 13.87 C ATOM 375 CG MET E 41 3.965 20.728 -15.552 1.00 20.57 C ATOM 376 SD MET E 41 4.087 19.229 -14.563 1.00 23.27 S ATOM 377 CE MET E 41 3.580 19.884 -12.980 1.00 14.28 C ATOM 378 H MET E 41 6.357 21.167 -17.320 1.00 0.00 H ATOM 379 N GLN E 42 7.450 23.910 -16.317 1.00 20.01 N ATOM 380 CA GLN E 42 8.484 24.842 -15.871 1.00 26.61 C ATOM 381 C GLN E 42 8.727 24.753 -14.360 1.00 25.97 C ATOM 382 O GLN E 42 8.787 25.770 -13.664 1.00 26.83 O ATOM 383 CB GLN E 42 8.113 26.273 -16.277 1.00 20.65 C ATOM 384 CG GLN E 42 7.878 26.405 -17.764 1.00 22.45 C ATOM 385 CD GLN E 42 7.512 27.821 -18.168 1.00 38.14 C ATOM 386 OE1 GLN E 42 6.342 28.205 -18.141 1.00 41.82 O ATOM 387 NE2 GLN E 42 8.513 28.605 -18.543 1.00 43.44 N ATOM 388 HE22 GLN E 42 9.486 28.238 -18.550 1.00 0.00 H ATOM 389 HE21 GLN E 42 8.325 29.587 -18.830 1.00 0.00 H ATOM 390 H GLN E 42 7.671 23.255 -17.094 1.00 0.00 H ATOM 391 N VAL E 43 8.841 23.528 -13.859 1.00 19.93 N ATOM 392 CA VAL E 43 9.276 23.292 -12.480 1.00 22.57 C ATOM 393 C VAL E 43 10.488 22.366 -12.475 1.00 23.84 C ATOM 394 O VAL E 43 10.718 21.646 -13.446 1.00 23.45 O ATOM 395 CB VAL E 43 8.170 22.657 -11.608 1.00 25.05 C ATOM 396 CG1 VAL E 43 6.998 23.605 -11.450 1.00 36.65 C ATOM 397 CG2 VAL E 43 7.722 21.321 -12.201 1.00 18.12 C ATOM 398 H VAL E 43 8.615 22.712 -14.463 1.00 0.00 H ATOM 399 N LYS E 44 11.260 22.381 -11.387 1.00 19.22 N ATOM 400 CA LYS E 44 12.318 21.392 -11.192 1.00 22.37 C ATOM 401 C LYS E 44 11.684 20.110 -10.676 1.00 27.81 C ATOM 402 O LYS E 44 10.709 20.155 -9.935 1.00 21.34 O ATOM 403 CB LYS E 44 13.381 21.881 -10.203 1.00 16.27 C ATOM 404 CG LYS E 44 13.977 23.248 -10.545 1.00 22.72 C ATOM 405 H LYS E 44 11.106 23.111 -10.663 1.00 0.00 H ATOM 406 N CYS E 45 12.232 18.967 -11.065 1.00 26.28 N ATOM 407 CA CYS E 45 11.734 17.713 -10.523 1.00 22.07 C ATOM 408 C CYS E 45 12.868 16.852 -10.014 1.00 22.87 C ATOM 409 O CYS E 45 13.941 16.773 -10.620 1.00 24.26 O ATOM 410 CB CYS E 45 10.912 16.963 -11.566 1.00 18.90 C ATOM 411 SG CYS E 45 9.252 17.661 -11.720 1.00 28.03 S ATOM 412 H CYS E 45 13.012 18.967 -11.753 1.00 0.00 H ATOM 413 N THR E 46 12.624 16.225 -8.874 1.00 17.13 N ATOM 414 CA THR E 46 13.602 15.352 -8.272 1.00 18.27 C ATOM 415 C THR E 46 12.948 13.990 -8.041 1.00 21.93 C ATOM 416 O THR E 46 11.897 13.883 -7.413 1.00 14.12 O ATOM 417 CB THR E 46 14.150 15.937 -6.957 1.00 17.48 C ATOM 418 OG1 THR E 46 14.974 17.070 -7.259 1.00 18.94 O ATOM 419 CG2 THR E 46 15.002 14.912 -6.224 1.00 12.74 C ATOM 420 HG1 THR E 46 15.330 17.451 -6.418 1.00 0.00 H ATOM 421 H THR E 46 11.708 16.365 -8.402 1.00 0.00 H ATOM 422 N TRP E 47 13.572 12.958 -8.583 1.00 17.93 N ATOM 423 CA TRP E 47 13.064 11.609 -8.453 1.00 17.09 C ATOM 424 C TRP E 47 13.487 11.029 -7.123 1.00 12.35 C ATOM 425 O TRP E 47 14.599 11.277 -6.668 1.00 11.85 O ATOM 426 CB TRP E 47 13.566 10.746 -9.616 1.00 18.64 C ATOM 427 CG TRP E 47 12.961 11.180 -10.908 1.00 21.76 C ATOM 428 CD1 TRP E 47 13.448 12.120 -11.770 1.00 23.31 C ATOM 429 CD2 TRP E 47 11.724 10.727 -11.462 1.00 15.00 C ATOM 430 NE1 TRP E 47 12.596 12.272 -12.833 1.00 19.71 N ATOM 431 CE2 TRP E 47 11.526 11.430 -12.669 1.00 18.20 C ATOM 432 CE3 TRP E 47 10.759 9.801 -11.050 1.00 13.45 C ATOM 433 CZ2 TRP E 47 10.412 11.223 -13.483 1.00 15.90 C ATOM 434 CZ3 TRP E 47 9.644 9.592 -11.854 1.00 19.88 C ATOM 435 CH2 TRP E 47 9.479 10.305 -13.062 1.00 22.93 C ATOM 436 HE1 TRP E 47 12.738 12.920 -13.634 1.00 0.00 H ATOM 437 H TRP E 47 14.450 13.120 -9.116 1.00 0.00 H ATOM 438 N VAL E 48 12.586 10.278 -6.495 1.00 13.19 N ATOM 439 CA VAL E 48 12.870 9.584 -5.245 1.00 18.27 C ATOM 440 C VAL E 48 12.513 8.104 -5.338 1.00 16.78 C ATOM 441 O VAL E 48 11.342 7.759 -5.515 1.00 13.24 O ATOM 442 CB VAL E 48 12.080 10.184 -4.064 1.00 17.36 C ATOM 443 CG1 VAL E 48 12.443 9.463 -2.782 1.00 16.17 C ATOM 444 CG2 VAL E 48 12.322 11.691 -3.956 1.00 22.72 C ATOM 445 H VAL E 48 11.639 10.182 -6.914 1.00 0.00 H ATOM 446 N ALA E 49 13.506 7.229 -5.189 1.00 16.88 N ATOM 447 CA ALA E 49 13.258 5.788 -5.250 1.00 18.66 C ATOM 448 C ALA E 49 12.704 5.264 -3.934 1.00 20.77 C ATOM 449 O ALA E 49 13.165 5.653 -2.869 1.00 18.13 O ATOM 450 CB ALA E 49 14.539 5.031 -5.620 1.00 15.24 C ATOM 451 H ALA E 49 14.473 7.575 -5.027 1.00 0.00 H ATOM 452 N SER E 50 11.709 4.388 -4.021 1.00 17.26 N ATOM 453 CA SER E 50 11.246 3.635 -2.862 1.00 20.96 C ATOM 454 C SER E 50 10.548 2.359 -3.312 1.00 14.70 C ATOM 455 O SER E 50 10.249 2.182 -4.503 1.00 13.70 O ATOM 456 CB SER E 50 10.304 4.471 -1.990 1.00 24.36 C ATOM 457 OG SER E 50 8.979 4.473 -2.491 1.00 16.48 O ATOM 458 HG SER E 50 8.636 3.545 -2.516 1.00 0.00 H ATOM 459 H SER E 50 11.248 4.235 -4.941 1.00 0.00 H ATOM 460 N ASP E 51 10.305 1.457 -2.369 1.00 14.36 N ATOM 461 CA ASP E 51 9.539 0.262 -2.695 1.00 19.01 C ATOM 462 C ASP E 51 8.155 0.703 -3.152 1.00 15.39 C ATOM 463 O ASP E 51 7.677 1.765 -2.751 1.00 15.96 O ATOM 464 CB ASP E 51 9.429 -0.679 -1.503 1.00 26.44 C ATOM 465 CG ASP E 51 10.695 -1.477 -1.268 1.00 35.20 C ATOM 466 OD1 ASP E 51 11.596 -1.473 -2.144 1.00 28.75 O ATOM 467 OD2 ASP E 51 10.769 -2.125 -0.205 1.00 33.86 O ATOM 468 H ASP E 51 10.660 1.603 -1.402 1.00 0.00 H ATOM 469 N PHE E 52 7.518 -0.098 -3.992 1.00 11.77 N ATOM 470 CA PHE E 52 6.240 0.307 -4.538 1.00 12.63 C ATOM 471 C PHE E 52 5.176 0.527 -3.464 1.00 16.31 C ATOM 472 O PHE E 52 4.374 1.457 -3.562 1.00 17.52 O ATOM 473 CB PHE E 52 5.757 -0.722 -5.540 1.00 11.14 C ATOM 474 CG PHE E 52 4.499 -0.320 -6.238 1.00 15.03 C ATOM 475 CD1 PHE E 52 4.527 0.640 -7.235 1.00 13.17 C ATOM 476 CD2 PHE E 52 3.290 -0.900 -5.897 1.00 15.74 C ATOM 477 CE1 PHE E 52 3.368 1.023 -7.878 1.00 9.98 C ATOM 478 CE2 PHE E 52 2.125 -0.543 -6.545 1.00 13.50 C ATOM 479 CZ PHE E 52 2.157 0.422 -7.536 1.00 14.31 C ATOM 480 H PHE E 52 7.934 -1.013 -4.258 1.00 0.00 H ATOM 481 N ASP E 53 5.171 -0.313 -2.432 1.00 13.94 N ATOM 482 CA ASP E 53 4.113 -0.229 -1.426 1.00 17.00 C ATOM 483 C ASP E 53 4.301 0.944 -0.464 1.00 16.49 C ATOM 484 O ASP E 53 3.439 1.207 0.372 1.00 15.46 O ATOM 485 CB ASP E 53 3.996 -1.557 -0.648 1.00 18.38 C ATOM 486 CG ASP E 53 5.204 -1.852 0.232 1.00 27.22 C ATOM 487 OD1 ASP E 53 6.227 -1.134 0.158 1.00 21.96 O ATOM 488 OD2 ASP E 53 5.129 -2.841 0.994 1.00 31.71 O ATOM 489 H ASP E 53 5.920 -1.029 -2.341 1.00 0.00 H ATOM 490 N ALA E 54 5.413 1.659 -0.595 1.00 11.56 N ATOM 491 CA ALA E 54 5.663 2.834 0.241 1.00 15.40 C ATOM 492 C ALA E 54 5.276 4.146 -0.454 1.00 17.91 C ATOM 493 O ALA E 54 5.267 5.200 0.183 1.00 16.23 O ATOM 494 CB ALA E 54 7.139 2.879 0.672 1.00 13.22 C ATOM 495 H ALA E 54 6.119 1.378 -1.305 1.00 0.00 H ATOM 496 N LEU E 55 4.927 4.082 -1.739 1.00 13.18 N ATOM 497 CA LEU E 55 4.683 5.303 -2.521 1.00 12.28 C ATOM 498 C LEU E 55 3.452 6.086 -2.053 1.00 17.44 C ATOM 499 O LEU E 55 3.533 7.286 -1.773 1.00 14.19 O ATOM 500 CB LEU E 55 4.554 4.952 -4.009 1.00 7.24 C ATOM 501 CG LEU E 55 5.874 4.504 -4.648 1.00 17.62 C ATOM 502 CD1 LEU E 55 5.637 3.853 -5.989 1.00 12.39 C ATOM 503 CD2 LEU E 55 6.832 5.698 -4.794 1.00 12.23 C ATOM 504 H LEU E 55 4.826 3.153 -2.196 1.00 0.00 H ATOM 505 N ILE E 56 2.305 5.424 -1.988 1.00 12.86 N ATOM 506 CA ILE E 56 1.096 6.116 -1.557 1.00 15.39 C ATOM 507 C ILE E 56 1.203 6.619 -0.092 1.00 13.78 C ATOM 508 O ILE E 56 0.805 7.748 0.181 1.00 11.90 O ATOM 509 CB ILE E 56 -0.164 5.220 -1.781 1.00 16.46 C ATOM 510 CG1 ILE E 56 -0.491 5.166 -3.279 1.00 14.28 C ATOM 511 CG2 ILE E 56 -1.381 5.763 -1.040 1.00 14.14 C ATOM 512 CD1 ILE E 56 -1.714 4.352 -3.636 1.00 17.58 C ATOM 513 H ILE E 56 2.268 4.416 -2.243 1.00 0.00 H ATOM 514 N PRO E 57 1.749 5.804 0.846 1.00 14.24 N ATOM 515 CA PRO E 57 1.991 6.370 2.184 1.00 18.39 C ATOM 516 C PRO E 57 2.924 7.596 2.176 1.00 16.61 C ATOM 517 O PRO E 57 2.676 8.538 2.920 1.00 13.61 O ATOM 518 CB PRO E 57 2.637 5.204 2.948 1.00 19.38 C ATOM 519 CG PRO E 57 2.098 3.984 2.288 1.00 17.10 C ATOM 520 CD PRO E 57 1.979 4.344 0.824 1.00 12.67 C ATOM 521 N SER E 58 3.967 7.585 1.355 1.00 10.47 N ATOM 522 CA SER E 58 4.888 8.718 1.282 1.00 15.29 C ATOM 523 C SER E 58 4.192 9.937 0.719 1.00 14.63 C ATOM 524 O SER E 58 4.380 11.047 1.217 1.00 14.66 O ATOM 525 CB SER E 58 6.117 8.383 0.432 1.00 11.91 C ATOM 526 OG SER E 58 6.911 7.437 1.107 1.00 22.67 O ATOM 527 HG SER E 58 6.382 6.615 1.262 1.00 0.00 H ATOM 528 H SER E 58 4.132 6.754 0.752 1.00 0.00 H ATOM 529 N LEU E 59 3.381 9.726 -0.316 1.00 12.68 N ATOM 530 CA LEU E 59 2.588 10.813 -0.886 1.00 16.99 C ATOM 531 C LEU E 59 1.661 11.435 0.165 1.00 12.81 C ATOM 532 O LEU E 59 1.599 12.660 0.304 1.00 11.19 O ATOM 533 CB LEU E 59 1.773 10.305 -2.091 1.00 9.48 C ATOM 534 CG LEU E 59 0.932 11.364 -2.802 1.00 12.13 C ATOM 535 CD1 LEU E 59 1.829 12.492 -3.314 1.00 11.30 C ATOM 536 CD2 LEU E 59 0.118 10.744 -3.940 1.00 16.24 C ATOM 537 H LEU E 59 3.311 8.772 -0.725 1.00 0.00 H ATOM 538 N LYS E 60 0.986 10.592 0.917 1.00 13.05 N ATOM 539 CA LYS E 60 0.047 11.069 1.913 1.00 12.89 C ATOM 540 C LYS E 60 0.729 11.825 3.045 1.00 16.10 C ATOM 541 O LYS E 60 0.158 12.674 3.665 1.00 15.60 O ATOM 542 CB LYS E 60 -0.735 9.916 2.478 1.00 14.58 C ATOM 543 CG LYS E 60 -1.640 9.246 1.472 1.00 22.53 C ATOM 544 CD LYS E 60 -2.897 8.740 2.094 1.00 31.42 C ATOM 545 CE LYS E 60 -2.690 7.360 2.598 1.00 30.97 C ATOM 546 NZ LYS E 60 -3.907 6.539 2.771 1.00 38.96 N ATOM 547 HZ1 LYS E 60 -4.542 7.002 3.452 1.00 0.00 H ATOM 548 HZ2 LYS E 60 -4.391 6.441 1.856 1.00 0.00 H ATOM 549 HZ3 LYS E 60 -3.641 5.598 3.126 1.00 0.00 H ATOM 550 H LYS E 60 1.128 9.569 0.795 1.00 0.00 H ATOM 551 N ALA E 61 1.950 11.457 3.307 1.00 13.53 N ATOM 552 CA ALA E 61 2.748 12.031 4.392 1.00 18.77 C ATOM 553 C ALA E 61 3.518 13.265 3.937 1.00 19.08 C ATOM 554 O ALA E 61 4.302 13.823 4.697 1.00 20.52 O ATOM 555 CB ALA E 61 3.709 10.991 4.929 1.00 16.26 C ATOM 556 H ALA E 61 2.380 10.718 2.716 1.00 0.00 H ATOM 557 N LYS E 62 3.303 13.652 2.683 1.00 17.30 N ATOM 558 CA LYS E 62 3.980 14.776 2.023 1.00 13.12 C ATOM 559 C LYS E 62 5.504 14.628 1.916 1.00 16.01 C ATOM 560 O LYS E 62 6.218 15.616 1.796 1.00 16.09 O ATOM 561 CB LYS E 62 3.624 16.099 2.729 1.00 16.42 C ATOM 562 CG LYS E 62 2.120 16.356 2.772 1.00 17.90 C ATOM 563 CD LYS E 62 1.765 17.744 3.280 1.00 30.14 C ATOM 564 CE LYS E 62 1.602 18.722 2.129 1.00 40.11 C ATOM 565 NZ LYS E 62 0.555 19.754 2.409 1.00 41.13 N ATOM 566 HZ1 LYS E 62 -0.359 19.284 2.567 1.00 0.00 H ATOM 567 HZ2 LYS E 62 0.820 20.294 3.258 1.00 0.00 H ATOM 568 HZ3 LYS E 62 0.479 20.399 1.596 1.00 0.00 H ATOM 569 H LYS E 62 2.603 13.119 2.128 1.00 0.00 H ATOM 570 N LYS E 63 5.994 13.392 1.924 1.00 13.98 N ATOM 571 CA LYS E 63 7.413 13.139 1.735 1.00 16.55 C ATOM 572 C LYS E 63 7.765 13.173 0.252 1.00 15.14 C ATOM 573 O LYS E 63 8.910 13.431 -0.114 1.00 13.75 O ATOM 574 CB LYS E 63 7.802 11.803 2.360 1.00 17.80 C ATOM 575 CG LYS E 63 7.779 11.819 3.880 1.00 21.04 C ATOM 576 CD LYS E 63 8.549 10.631 4.444 1.00 28.81 C ATOM 577 CE LYS E 63 7.667 9.725 5.285 1.00 42.34 C ATOM 578 NZ LYS E 63 7.964 9.851 6.744 1.00 44.50 N ATOM 579 HZ1 LYS E 63 8.956 9.592 6.918 1.00 0.00 H ATOM 580 HZ2 LYS E 63 7.803 10.833 7.046 1.00 0.00 H ATOM 581 HZ3 LYS E 63 7.339 9.215 7.280 1.00 0.00 H ATOM 582 H LYS E 63 5.349 12.589 2.068 1.00 0.00 H ATOM 583 N ILE E 64 6.761 12.924 -0.586 1.00 11.83 N ATOM 584 CA ILE E 64 6.815 13.181 -2.025 1.00 13.45 C ATOM 585 C ILE E 64 5.552 13.934 -2.437 1.00 14.90 C ATOM 586 O ILE E 64 4.589 14.017 -1.672 1.00 14.27 O ATOM 587 CB ILE E 64 6.940 11.876 -2.873 1.00 10.93 C ATOM 588 CG1 ILE E 64 5.876 10.846 -2.468 1.00 19.13 C ATOM 589 CG2 ILE E 64 8.340 11.261 -2.733 1.00 16.87 C ATOM 590 CD1 ILE E 64 5.933 9.521 -3.290 1.00 13.20 C ATOM 591 H ILE E 64 5.885 12.523 -0.194 1.00 0.00 H ATOM 592 N ASP E 65 5.561 14.469 -3.653 1.00 17.65 N ATOM 593 CA ASP E 65 4.462 15.282 -4.157 1.00 12.93 C ATOM 594 C ASP E 65 3.708 14.582 -5.258 1.00 12.46 C ATOM 595 O ASP E 65 2.563 14.938 -5.574 1.00 13.76 O ATOM 596 CB ASP E 65 4.984 16.612 -4.673 1.00 11.43 C ATOM 597 CG ASP E 65 5.699 17.385 -3.601 1.00 20.65 C ATOM 598 OD1 ASP E 65 5.152 17.479 -2.477 1.00 23.14 O ATOM 599 OD2 ASP E 65 6.817 17.862 -3.872 1.00 21.80 O ATOM 600 H ASP E 65 6.383 14.301 -4.268 1.00 0.00 H ATOM 601 N ALA E 66 4.362 13.597 -5.853 1.00 8.02 N ATOM 602 CA ALA E 66 3.774 12.876 -6.967 1.00 10.94 C ATOM 603 C ALA E 66 4.305 11.456 -7.031 1.00 14.39 C ATOM 604 O ALA E 66 5.379 11.154 -6.503 1.00 16.00 O ATOM 605 CB ALA E 66 4.042 13.616 -8.294 1.00 10.25 C ATOM 606 H ALA E 66 5.311 13.336 -5.517 1.00 0.00 H ATOM 607 N ILE E 67 3.523 10.584 -7.659 1.00 12.67 N ATOM 608 CA ILE E 67 3.933 9.217 -7.926 1.00 10.45 C ATOM 609 C ILE E 67 3.827 8.959 -9.410 1.00 11.10 C ATOM 610 O ILE E 67 2.747 9.083 -9.975 1.00 12.96 O ATOM 611 CB ILE E 67 3.044 8.178 -7.197 1.00 8.82 C ATOM 612 CG1 ILE E 67 3.050 8.401 -5.687 1.00 10.61 C ATOM 613 CG2 ILE E 67 3.493 6.754 -7.538 1.00 10.79 C ATOM 614 CD1 ILE E 67 1.934 7.622 -4.972 1.00 13.63 C ATOM 615 H ILE E 67 2.580 10.893 -7.971 1.00 0.00 H ATOM 616 N ILE E 68 4.938 8.617 -10.052 1.00 9.80 N ATOM 617 CA ILE E 68 4.854 8.100 -11.409 1.00 11.56 C ATOM 618 C ILE E 68 5.591 6.775 -11.378 1.00 13.08 C ATOM 619 O ILE E 68 6.820 6.729 -11.310 1.00 14.28 O ATOM 620 CB ILE E 68 5.451 9.047 -12.464 1.00 11.92 C ATOM 621 CG1 ILE E 68 4.825 10.441 -12.357 1.00 10.65 C ATOM 622 CG2 ILE E 68 5.230 8.485 -13.885 1.00 15.63 C ATOM 623 CD1 ILE E 68 5.410 11.434 -13.327 1.00 11.31 C ATOM 624 H ILE E 68 5.863 8.718 -9.587 1.00 0.00 H ATOM 625 N SER E 69 4.820 5.699 -11.393 1.00 12.37 N ATOM 626 CA SER E 69 5.379 4.376 -11.131 1.00 11.68 C ATOM 627 C SER E 69 4.403 3.313 -11.617 1.00 16.15 C ATOM 628 O SER E 69 4.085 2.352 -10.888 1.00 12.45 O ATOM 629 CB SER E 69 5.672 4.226 -9.633 1.00 10.37 C ATOM 630 OG SER E 69 6.533 3.128 -9.367 1.00 13.06 O ATOM 631 HG SER E 69 6.108 2.292 -9.685 1.00 0.00 H ATOM 632 H SER E 69 3.804 5.797 -11.594 1.00 0.00 H ATOM 633 N SER E 70 3.928 3.508 -12.850 1.00 10.62 N ATOM 634 CA SER E 70 2.904 2.667 -13.437 1.00 11.22 C ATOM 635 C SER E 70 1.720 2.521 -12.479 1.00 13.85 C ATOM 636 O SER E 70 1.160 1.430 -12.338 1.00 11.59 O ATOM 637 CB SER E 70 3.466 1.280 -13.782 1.00 9.52 C ATOM 638 OG SER E 70 4.563 1.349 -14.686 1.00 14.30 O ATOM 639 HG SER E 70 4.269 1.778 -15.528 1.00 0.00 H ATOM 640 H SER E 70 4.309 4.296 -13.412 1.00 0.00 H ATOM 641 N LEU E 71 1.350 3.610 -11.814 1.00 9.77 N ATOM 642 CA LEU E 71 0.343 3.525 -10.758 1.00 12.49 C ATOM 643 C LEU E 71 -1.056 3.474 -11.352 1.00 14.26 C ATOM 644 O LEU E 71 -1.581 4.480 -11.848 1.00 10.50 O ATOM 645 CB LEU E 71 0.466 4.703 -9.788 1.00 14.23 C ATOM 646 CG LEU E 71 -0.405 4.604 -8.526 1.00 10.88 C ATOM 647 CD1 LEU E 71 0.077 3.447 -7.662 1.00 13.16 C ATOM 648 CD2 LEU E 71 -0.402 5.913 -7.723 1.00 14.29 C ATOM 649 H LEU E 71 1.779 4.528 -12.046 1.00 0.00 H ATOM 650 N SER E 72 -1.646 2.286 -11.330 1.00 11.09 N ATOM 651 CA SER E 72 -2.976 2.090 -11.895 1.00 14.45 C ATOM 652 C SER E 72 -4.048 2.972 -11.252 1.00 10.22 C ATOM 653 O SER E 72 -4.145 3.081 -10.033 1.00 13.09 O ATOM 654 CB SER E 72 -3.377 0.616 -11.771 1.00 19.04 C ATOM 655 OG SER E 72 -2.622 -0.172 -12.667 1.00 12.35 O ATOM 656 HG SER E 72 -2.890 -1.121 -12.577 1.00 0.00 H ATOM 657 H SER E 72 -1.150 1.479 -10.901 1.00 0.00 H ATOM 658 N ILE E 73 -4.860 3.600 -12.087 1.00 11.05 N ATOM 659 CA ILE E 73 -5.958 4.424 -11.606 1.00 16.83 C ATOM 660 C ILE E 73 -7.145 3.551 -11.206 1.00 17.53 C ATOM 661 O ILE E 73 -7.894 3.103 -12.066 1.00 17.33 O ATOM 662 CB ILE E 73 -6.407 5.435 -12.686 1.00 14.98 C ATOM 663 CG1 ILE E 73 -5.195 6.205 -13.224 1.00 13.75 C ATOM 664 CG2 ILE E 73 -7.485 6.386 -12.140 1.00 11.26 C ATOM 665 CD1 ILE E 73 -5.511 7.055 -14.432 1.00 12.08 C ATOM 666 H ILE E 73 -4.710 3.502 -13.111 1.00 0.00 H ATOM 667 N THR E 74 -7.320 3.303 -9.909 1.00 13.22 N ATOM 668 CA THR E 74 -8.419 2.442 -9.465 1.00 18.09 C ATOM 669 C THR E 74 -9.433 3.192 -8.623 1.00 16.90 C ATOM 670 O THR E 74 -9.126 4.232 -8.041 1.00 17.18 O ATOM 671 CB THR E 74 -7.912 1.226 -8.651 1.00 19.45 C ATOM 672 OG1 THR E 74 -7.292 1.672 -7.439 1.00 14.87 O ATOM 673 CG2 THR E 74 -6.918 0.429 -9.460 1.00 19.97 C ATOM 674 HG1 THR E 74 -6.971 0.888 -6.926 1.00 0.00 H ATOM 675 H THR E 74 -6.674 3.722 -9.209 1.00 0.00 H ATOM 676 N ASP E 75 -10.646 2.654 -8.576 1.00 14.74 N ATOM 677 CA ASP E 75 -11.711 3.200 -7.749 1.00 21.56 C ATOM 678 C ASP E 75 -11.234 3.286 -6.315 1.00 20.52 C ATOM 679 O ASP E 75 -11.381 4.323 -5.664 1.00 18.39 O ATOM 680 CB ASP E 75 -12.968 2.320 -7.856 1.00 19.86 C ATOM 681 CG ASP E 75 -14.200 2.941 -7.198 1.00 30.28 C ATOM 682 OD1 ASP E 75 -14.326 4.182 -7.162 1.00 26.72 O ATOM 683 OD2 ASP E 75 -15.060 2.172 -6.729 1.00 32.99 O ATOM 684 H ASP E 75 -10.842 1.811 -9.152 1.00 0.00 H ATOM 685 N LYS E 76 -10.655 2.192 -5.824 1.00 15.60 N ATOM 686 CA LYS E 76 -10.208 2.144 -4.431 1.00 20.13 C ATOM 687 C LYS E 76 -9.143 3.201 -4.116 1.00 19.62 C ATOM 688 O LYS E 76 -9.183 3.828 -3.057 1.00 21.27 O ATOM 689 CB LYS E 76 -9.668 0.755 -4.073 1.00 28.84 C ATOM 690 CG LYS E 76 -9.255 0.630 -2.607 1.00 39.82 C ATOM 691 CD LYS E 76 -8.609 -0.712 -2.287 1.00 45.28 C ATOM 692 CE LYS E 76 -8.172 -0.785 -0.819 1.00 45.93 C ATOM 693 NZ LYS E 76 -7.297 0.360 -0.421 1.00 42.25 N ATOM 694 HZ1 LYS E 76 -6.440 0.361 -1.010 1.00 0.00 H ATOM 695 HZ2 LYS E 76 -7.813 1.253 -0.557 1.00 0.00 H ATOM 696 HZ3 LYS E 76 -7.032 0.260 0.580 1.00 0.00 H ATOM 697 H LYS E 76 -10.519 1.363 -6.437 1.00 0.00 H ATOM 698 N ARG E 77 -8.191 3.404 -5.021 1.00 17.65 N ATOM 699 CA ARG E 77 -7.135 4.380 -4.760 1.00 15.48 C ATOM 700 C ARG E 77 -7.666 5.809 -4.796 1.00 19.61 C ATOM 701 O ARG E 77 -7.161 6.690 -4.089 1.00 14.76 O ATOM 702 CB ARG E 77 -5.993 4.213 -5.758 1.00 15.05 C ATOM 703 CG ARG E 77 -5.065 3.073 -5.380 1.00 17.75 C ATOM 704 CD ARG E 77 -4.173 2.683 -6.540 1.00 15.88 C ATOM 705 NE ARG E 77 -3.256 1.609 -6.179 1.00 14.34 N ATOM 706 CZ ARG E 77 -2.493 0.956 -7.051 1.00 17.32 C ATOM 707 NH1 ARG E 77 -2.551 1.257 -8.342 1.00 14.54 N ATOM 708 NH2 ARG E 77 -1.676 0.000 -6.634 1.00 12.31 N ATOM 709 HE ARG E 77 -3.195 1.336 -5.177 1.00 0.00 H ATOM 710 HH12 ARG E 77 -1.954 0.745 -9.023 1.00 0.00 H ATOM 711 HH11 ARG E 77 -3.194 2.004 -8.673 1.00 0.00 H ATOM 712 HH22 ARG E 77 -1.080 -0.510 -7.317 1.00 0.00 H ATOM 713 HH21 ARG E 77 -1.631 -0.241 -5.623 1.00 0.00 H ATOM 714 H ARG E 77 -8.198 2.869 -5.913 1.00 0.00 H ATOM 715 N GLN E 78 -8.699 6.031 -5.601 1.00 14.83 N ATOM 716 CA GLN E 78 -9.274 7.370 -5.741 1.00 14.95 C ATOM 717 C GLN E 78 -10.034 7.814 -4.497 1.00 18.94 C ATOM 718 O GLN E 78 -10.385 8.985 -4.349 1.00 24.01 O ATOM 719 CB GLN E 78 -10.187 7.419 -6.957 1.00 16.73 C ATOM 720 CG GLN E 78 -9.407 7.444 -8.266 1.00 28.27 C ATOM 721 CD GLN E 78 -10.313 7.464 -9.475 1.00 32.91 C ATOM 722 OE1 GLN E 78 -10.779 8.522 -9.900 1.00 37.75 O ATOM 723 NE2 GLN E 78 -10.582 6.290 -10.028 1.00 26.87 N ATOM 724 HE22 GLN E 78 -10.165 5.422 -9.635 1.00 0.00 H ATOM 725 HE21 GLN E 78 -11.210 6.237 -10.855 1.00 0.00 H ATOM 726 H GLN E 78 -9.106 5.241 -6.141 1.00 0.00 H ATOM 727 N GLN E 79 -10.277 6.879 -3.591 1.00 16.23 N ATOM 728 CA GLN E 79 -10.889 7.240 -2.328 1.00 25.76 C ATOM 729 C GLN E 79 -9.821 7.795 -1.392 1.00 24.26 C ATOM 730 O GLN E 79 -10.135 8.480 -0.412 1.00 21.36 O ATOM 731 CB GLN E 79 -11.614 6.036 -1.720 1.00 27.00 C ATOM 732 CG GLN E 79 -12.514 5.326 -2.736 1.00 39.14 C ATOM 733 CD GLN E 79 -13.601 6.227 -3.322 1.00 50.28 C ATOM 734 OE1 GLN E 79 -13.729 6.357 -4.546 1.00 50.38 O ATOM 735 NE2 GLN E 79 -14.400 6.838 -2.449 1.00 56.75 N ATOM 736 HE22 GLN E 79 -14.257 6.701 -1.428 1.00 0.00 H ATOM 737 HE21 GLN E 79 -15.167 7.453 -2.788 1.00 0.00 H ATOM 738 H GLN E 79 -10.029 5.888 -3.786 1.00 0.00 H ATOM 739 N GLU E 80 -8.562 7.529 -1.727 1.00 18.97 N ATOM 740 CA GLU E 80 -7.425 8.002 -0.935 1.00 16.93 C ATOM 741 C GLU E 80 -6.663 9.161 -1.562 1.00 13.06 C ATOM 742 O GLU E 80 -6.219 10.068 -0.855 1.00 16.86 O ATOM 743 CB GLU E 80 -6.418 6.887 -0.708 1.00 22.81 C ATOM 744 CG GLU E 80 -6.884 5.691 0.058 1.00 41.49 C ATOM 745 CD GLU E 80 -5.744 4.706 0.245 1.00 52.21 C ATOM 746 OE1 GLU E 80 -5.352 4.060 -0.752 1.00 49.93 O ATOM 747 OE2 GLU E 80 -5.224 4.600 1.377 1.00 59.80 O ATOM 748 H GLU E 80 -8.378 6.965 -2.581 1.00 0.00 H ATOM 749 N ILE E 81 -6.451 9.092 -2.871 1.00 10.77 N ATOM 750 CA ILE E 81 -5.607 10.079 -3.554 1.00 13.46 C ATOM 751 C ILE E 81 -6.248 10.537 -4.863 1.00 17.39 C ATOM 752 O ILE E 81 -7.295 10.036 -5.243 1.00 18.01 O ATOM 753 CB ILE E 81 -4.189 9.521 -3.870 1.00 12.98 C ATOM 754 CG1 ILE E 81 -4.264 8.305 -4.799 1.00 14.98 C ATOM 755 CG2 ILE E 81 -3.399 9.188 -2.601 1.00 11.37 C ATOM 756 CD1 ILE E 81 -2.885 7.865 -5.303 1.00 16.33 C ATOM 757 H ILE E 81 -6.890 8.326 -3.421 1.00 0.00 H ATOM 758 N ALA E 82 -5.587 11.470 -5.543 1.00 12.20 N ATOM 759 CA ALA E 82 -6.000 11.953 -6.853 1.00 16.60 C ATOM 760 C ALA E 82 -5.102 11.387 -7.956 1.00 13.18 C ATOM 761 O ALA E 82 -3.996 10.936 -7.690 1.00 16.21 O ATOM 762 CB ALA E 82 -5.977 13.483 -6.889 1.00 13.89 C ATOM 763 H ALA E 82 -4.730 11.876 -5.116 1.00 0.00 H ATOM 764 N PHE E 83 -5.581 11.433 -9.193 1.00 12.82 N ATOM 765 CA PHE E 83 -4.775 11.046 -10.347 1.00 11.94 C ATOM 766 C PHE E 83 -4.815 12.088 -11.454 1.00 12.28 C ATOM 767 O PHE E 83 -5.826 12.738 -11.675 1.00 16.70 O ATOM 768 CB PHE E 83 -5.242 9.708 -10.931 1.00 10.51 C ATOM 769 CG PHE E 83 -4.892 8.503 -10.097 1.00 16.06 C ATOM 770 CD1 PHE E 83 -3.766 7.744 -10.391 1.00 14.68 C ATOM 771 CD2 PHE E 83 -5.722 8.096 -9.060 1.00 14.46 C ATOM 772 CE1 PHE E 83 -3.464 6.607 -9.639 1.00 12.96 C ATOM 773 CE2 PHE E 83 -5.421 6.972 -8.304 1.00 17.72 C ATOM 774 CZ PHE E 83 -4.292 6.226 -8.598 1.00 17.14 C ATOM 775 H PHE E 83 -6.559 11.754 -9.344 1.00 0.00 H ATOM 776 N SER E 84 -3.704 12.231 -12.169 1.00 14.56 N ATOM 777 CA SER E 84 -3.717 12.943 -13.433 1.00 12.99 C ATOM 778 C SER E 84 -4.520 12.147 -14.446 1.00 15.75 C ATOM 779 O SER E 84 -4.954 11.024 -14.173 1.00 11.97 O ATOM 780 CB SER E 84 -2.293 13.140 -13.971 1.00 15.08 C ATOM 781 OG SER E 84 -1.796 11.902 -14.453 1.00 13.76 O ATOM 782 HG SER E 84 -2.382 11.573 -15.180 1.00 0.00 H ATOM 783 H SER E 84 -2.813 11.827 -11.817 1.00 0.00 H ATOM 784 N ASP E 85 -4.676 12.713 -15.635 1.00 16.61 N ATOM 785 CA ASP E 85 -5.222 11.959 -16.752 1.00 14.61 C ATOM 786 C ASP E 85 -4.323 10.762 -17.033 1.00 14.52 C ATOM 787 O ASP E 85 -3.160 10.719 -16.597 1.00 15.04 O ATOM 788 CB ASP E 85 -5.351 12.833 -18.000 1.00 11.63 C ATOM 789 CG ASP E 85 -6.415 13.927 -17.853 1.00 16.32 C ATOM 790 OD1 ASP E 85 -7.449 13.692 -17.199 1.00 21.24 O ATOM 791 OD2 ASP E 85 -6.210 15.026 -18.395 1.00 17.58 O ATOM 792 H ASP E 85 -4.405 13.708 -15.770 1.00 0.00 H ATOM 793 N LYS E 86 -4.863 9.800 -17.773 1.00 13.92 N ATOM 794 CA LYS E 86 -4.169 8.545 -18.040 1.00 15.90 C ATOM 795 C LYS E 86 -2.845 8.759 -18.772 1.00 17.73 C ATOM 796 O LYS E 86 -2.778 9.501 -19.754 1.00 17.48 O ATOM 797 CB LYS E 86 -5.056 7.607 -18.859 1.00 17.79 C ATOM 798 CG LYS E 86 -4.346 6.305 -19.238 1.00 21.87 C ATOM 799 CD LYS E 86 -5.220 5.362 -20.048 1.00 17.81 C ATOM 800 CE LYS E 86 -5.479 5.888 -21.439 1.00 21.98 C ATOM 801 NZ LYS E 86 -6.009 4.807 -22.304 1.00 22.44 N ATOM 802 HZ1 LYS E 86 -5.315 4.034 -22.355 1.00 0.00 H ATOM 803 HZ2 LYS E 86 -6.899 4.449 -21.903 1.00 0.00 H ATOM 804 HZ3 LYS E 86 -6.183 5.182 -23.258 1.00 0.00 H ATOM 805 H LYS E 86 -5.811 9.946 -18.175 1.00 0.00 H ATOM 806 N LEU E 87 -1.800 8.102 -18.285 1.00 14.20 N ATOM 807 CA LEU E 87 -0.473 8.169 -18.897 1.00 11.34 C ATOM 808 C LEU E 87 -0.305 7.080 -19.952 1.00 11.73 C ATOM 809 O LEU E 87 0.203 7.334 -21.046 1.00 14.17 O ATOM 810 CB LEU E 87 0.614 8.048 -17.827 1.00 10.31 C ATOM 811 CG LEU E 87 0.817 9.218 -16.856 1.00 16.05 C ATOM 812 CD1 LEU E 87 1.854 8.877 -15.806 1.00 16.97 C ATOM 813 CD2 LEU E 87 1.232 10.480 -17.591 1.00 19.34 C ATOM 814 H LEU E 87 -1.929 7.517 -17.435 1.00 0.00 H ATOM 815 N TYR E 88 -0.716 5.861 -19.605 1.00 16.29 N ATOM 816 CA TYR E 88 -0.759 4.747 -20.554 1.00 12.49 C ATOM 817 C TYR E 88 -1.641 3.626 -20.013 1.00 14.71 C ATOM 818 O TYR E 88 -2.048 3.651 -18.851 1.00 14.58 O ATOM 819 CB TYR E 88 0.643 4.208 -20.866 1.00 10.06 C ATOM 820 CG TYR E 88 1.531 3.978 -19.674 1.00 12.60 C ATOM 821 CD1 TYR E 88 1.477 2.783 -18.952 1.00 9.96 C ATOM 822 CD2 TYR E 88 2.462 4.936 -19.291 1.00 9.83 C ATOM 823 CE1 TYR E 88 2.304 2.571 -17.854 1.00 9.48 C ATOM 824 CE2 TYR E 88 3.283 4.740 -18.201 1.00 10.01 C ATOM 825 CZ TYR E 88 3.214 3.552 -17.492 1.00 16.26 C ATOM 826 OH TYR E 88 4.051 3.369 -16.413 1.00 14.82 O ATOM 827 HH TYR E 88 3.876 4.072 -15.738 1.00 0.00 H ATOM 828 H TYR E 88 -1.017 5.695 -18.624 1.00 0.00 H ATOM 829 N ALA E 89 -1.948 2.659 -20.871 1.00 14.24 N ATOM 830 CA ALA E 89 -2.774 1.521 -20.487 1.00 14.95 C ATOM 831 C ALA E 89 -1.955 0.485 -19.728 1.00 16.23 C ATOM 832 O ALA E 89 -0.736 0.420 -19.873 1.00 16.92 O ATOM 833 CB ALA E 89 -3.411 0.888 -21.726 1.00 11.92 C ATOM 834 H ALA E 89 -1.588 2.716 -21.845 1.00 0.00 H ATOM 835 N ALA E 90 -2.633 -0.327 -18.922 1.00 15.78 N ATOM 836 CA ALA E 90 -1.973 -1.408 -18.203 1.00 16.21 C ATOM 837 C ALA E 90 -2.931 -2.557 -17.927 1.00 25.50 C ATOM 838 O ALA E 90 -3.881 -2.422 -17.160 1.00 27.40 O ATOM 839 CB ALA E 90 -1.385 -0.897 -16.903 1.00 20.53 C ATOM 840 H ALA E 90 -3.657 -0.187 -18.803 1.00 0.00 H ATOM 841 N ASP E 91 -2.671 -3.693 -18.553 1.00 23.31 N ATOM 842 CA ASP E 91 -3.441 -4.899 -18.288 1.00 16.94 C ATOM 843 C ASP E 91 -2.582 -5.855 -17.458 1.00 12.74 C ATOM 844 O ASP E 91 -1.354 -5.750 -17.468 1.00 14.98 O ATOM 845 CB ASP E 91 -3.877 -5.564 -19.594 1.00 18.70 C ATOM 846 CG ASP E 91 -4.848 -4.707 -20.393 1.00 32.84 C ATOM 847 OD1 ASP E 91 -5.835 -4.196 -19.816 1.00 38.17 O ATOM 848 OD2 ASP E 91 -4.612 -4.539 -21.602 1.00 42.21 O ATOM 849 H ASP E 91 -1.900 -3.725 -19.250 1.00 0.00 H ATOM 850 N SER E 92 -3.225 -6.771 -16.744 1.00 10.62 N ATOM 851 CA SER E 92 -2.505 -7.797 -15.986 1.00 12.89 C ATOM 852 C SER E 92 -2.532 -9.145 -16.703 1.00 18.27 C ATOM 853 O SER E 92 -3.537 -9.526 -17.310 1.00 15.77 O ATOM 854 CB SER E 92 -3.095 -7.947 -14.576 1.00 12.09 C ATOM 855 OG SER E 92 -2.896 -6.762 -13.822 1.00 17.86 O ATOM 856 HG SER E 92 -3.341 -6.004 -14.277 1.00 0.00 H ATOM 857 H SER E 92 -4.265 -6.760 -16.722 1.00 0.00 H ATOM 858 N ARG E 93 -1.418 -9.867 -16.603 1.00 17.30 N ATOM 859 CA ARG E 93 -1.274 -11.184 -17.213 1.00 17.53 C ATOM 860 C ARG E 93 -0.275 -12.050 -16.447 1.00 13.76 C ATOM 861 O ARG E 93 0.709 -11.540 -15.910 1.00 14.77 O ATOM 862 CB ARG E 93 -0.826 -11.041 -18.667 1.00 16.39 C ATOM 863 CG ARG E 93 -1.057 -12.285 -19.507 1.00 17.03 C ATOM 864 CD ARG E 93 -1.001 -11.904 -20.978 1.00 15.86 C ATOM 865 NE ARG E 93 -1.322 -13.023 -21.852 1.00 18.04 N ATOM 866 CZ ARG E 93 -1.107 -13.002 -23.163 1.00 18.95 C ATOM 867 NH1 ARG E 93 -0.584 -11.922 -23.724 1.00 20.15 N ATOM 868 NH2 ARG E 93 -1.408 -14.052 -23.906 1.00 21.87 N ATOM 869 HE ARG E 93 -1.739 -13.878 -21.431 1.00 0.00 H ATOM 870 HH12 ARG E 93 -0.413 -11.900 -24.750 1.00 0.00 H ATOM 871 HH11 ARG E 93 -0.344 -11.096 -23.139 1.00 0.00 H ATOM 872 HH22 ARG E 93 -1.237 -14.029 -24.932 1.00 0.00 H ATOM 873 HH21 ARG E 93 -1.816 -14.901 -23.465 1.00 0.00 H ATOM 874 H ARG E 93 -0.617 -9.476 -16.068 1.00 0.00 H ATOM 875 N LEU E 94 -0.519 -13.362 -16.404 1.00 10.59 N ATOM 876 CA LEU E 94 0.408 -14.290 -15.756 1.00 17.36 C ATOM 877 C LEU E 94 1.563 -14.651 -16.680 1.00 15.06 C ATOM 878 O LEU E 94 1.383 -14.730 -17.895 1.00 15.56 O ATOM 879 CB LEU E 94 -0.303 -15.586 -15.343 1.00 18.63 C ATOM 880 CG LEU E 94 -1.177 -15.670 -14.095 1.00 18.60 C ATOM 881 CD1 LEU E 94 -1.804 -17.062 -14.030 1.00 21.64 C ATOM 882 CD2 LEU E 94 -0.389 -15.369 -12.834 1.00 11.93 C ATOM 883 H LEU E 94 -1.387 -13.732 -16.841 1.00 0.00 H ATOM 884 N ILE E 95 2.736 -14.882 -16.104 1.00 13.06 N ATOM 885 CA ILE E 95 3.845 -15.478 -16.839 1.00 13.40 C ATOM 886 C ILE E 95 4.214 -16.785 -16.154 1.00 20.83 C ATOM 887 O ILE E 95 3.966 -16.956 -14.966 1.00 15.80 O ATOM 888 CB ILE E 95 5.095 -14.568 -16.907 1.00 16.21 C ATOM 889 CG1 ILE E 95 5.509 -14.106 -15.506 1.00 17.80 C ATOM 890 CG2 ILE E 95 4.862 -13.378 -17.824 1.00 15.12 C ATOM 891 CD1 ILE E 95 6.768 -13.290 -15.499 1.00 21.04 C ATOM 892 H ILE E 95 2.867 -14.632 -15.103 1.00 0.00 H ATOM 893 N ALA E 96 4.792 -17.709 -16.912 1.00 16.97 N ATOM 894 CA ALA E 96 5.237 -18.991 -16.373 1.00 22.25 C ATOM 895 C ALA E 96 6.258 -19.589 -17.322 1.00 23.12 C ATOM 896 O ALA E 96 6.572 -18.991 -18.356 1.00 18.54 O ATOM 897 CB ALA E 96 4.069 -19.938 -16.176 1.00 21.81 C ATOM 898 H ALA E 96 4.933 -17.513 -17.924 1.00 0.00 H ATOM 899 N ALA E 97 6.783 -20.757 -16.969 1.00 19.68 N ATOM 900 CA ALA E 97 7.706 -21.462 -17.849 1.00 22.75 C ATOM 901 C ALA E 97 7.058 -21.677 -19.209 1.00 22.58 C ATOM 902 O ALA E 97 5.852 -21.904 -19.286 1.00 25.10 O ATOM 903 CB ALA E 97 8.113 -22.796 -17.241 1.00 24.26 C ATOM 904 H ALA E 97 6.531 -21.175 -16.050 1.00 0.00 H ATOM 905 N LYS E 98 7.854 -21.571 -20.270 1.00 20.47 N ATOM 906 CA LYS E 98 7.425 -21.955 -21.613 1.00 27.44 C ATOM 907 C LYS E 98 6.788 -23.338 -21.595 1.00 24.27 C ATOM 908 O LYS E 98 7.355 -24.273 -21.037 1.00 27.90 O ATOM 909 CB LYS E 98 8.613 -21.948 -22.573 1.00 30.90 C ATOM 910 CG LYS E 98 8.727 -20.723 -23.454 1.00 38.13 C ATOM 911 CD LYS E 98 8.339 -21.068 -24.881 1.00 40.52 C ATOM 912 H LYS E 98 8.817 -21.201 -20.139 1.00 0.00 H ATOM 913 N GLY E 99 5.603 -23.460 -22.177 1.00 28.69 N ATOM 914 CA GLY E 99 4.918 -24.743 -22.247 1.00 29.61 C ATOM 915 C GLY E 99 3.985 -24.996 -21.077 1.00 28.81 C ATOM 916 O GLY E 99 3.337 -26.042 -20.997 1.00 25.47 O ATOM 917 H GLY E 99 5.152 -22.620 -22.593 1.00 0.00 H ATOM 918 N SER E 100 3.908 -24.037 -20.163 1.00 19.94 N ATOM 919 CA SER E 100 3.066 -24.212 -18.988 1.00 24.40 C ATOM 920 C SER E 100 1.588 -24.241 -19.364 1.00 25.83 C ATOM 921 O SER E 100 1.131 -23.442 -20.185 1.00 27.40 O ATOM 922 CB SER E 100 3.324 -23.099 -17.965 1.00 23.97 C ATOM 923 OG SER E 100 2.646 -23.357 -16.753 1.00 20.72 O ATOM 924 HG SER E 100 2.963 -24.215 -16.375 1.00 0.00 H ATOM 925 H SER E 100 4.450 -23.158 -20.286 1.00 0.00 H ATOM 926 N PRO E 101 0.832 -25.167 -18.756 1.00 22.39 N ATOM 927 CA PRO E 101 -0.614 -25.244 -18.954 1.00 24.79 C ATOM 928 C PRO E 101 -1.354 -24.268 -18.038 1.00 17.67 C ATOM 929 O PRO E 101 -2.588 -24.203 -18.058 1.00 25.67 O ATOM 930 CB PRO E 101 -0.929 -26.691 -18.589 1.00 25.49 C ATOM 931 CG PRO E 101 0.070 -27.023 -17.546 1.00 24.42 C ATOM 932 CD PRO E 101 1.314 -26.228 -17.851 1.00 26.26 C ATOM 933 N ILE E 102 -0.591 -23.513 -17.253 1.00 20.31 N ATOM 934 CA ILE E 102 -1.155 -22.599 -16.269 1.00 20.42 C ATOM 935 C ILE E 102 -2.062 -21.555 -16.928 1.00 23.65 C ATOM 936 O ILE E 102 -1.731 -20.990 -17.971 1.00 20.70 O ATOM 937 CB ILE E 102 -0.033 -21.916 -15.458 1.00 22.34 C ATOM 938 CG1 ILE E 102 0.451 -22.854 -14.350 1.00 26.41 C ATOM 939 CG2 ILE E 102 -0.515 -20.619 -14.844 1.00 23.04 C ATOM 940 CD1 ILE E 102 1.564 -22.285 -13.510 1.00 26.40 C ATOM 941 H ILE E 102 0.443 -23.577 -17.345 1.00 0.00 H ATOM 942 N GLN E 103 -3.232 -21.356 -16.323 1.00 21.22 N ATOM 943 CA GLN E 103 -4.215 -20.368 -16.747 1.00 18.95 C ATOM 944 C GLN E 103 -4.567 -19.496 -15.549 1.00 19.28 C ATOM 945 O GLN E 103 -4.526 -19.980 -14.419 1.00 22.59 O ATOM 946 CB GLN E 103 -5.476 -21.052 -17.290 1.00 22.50 C ATOM 947 CG GLN E 103 -5.240 -21.908 -18.532 1.00 21.12 C ATOM 948 CD GLN E 103 -4.921 -21.071 -19.753 1.00 28.66 C ATOM 949 OE1 GLN E 103 -5.518 -20.010 -19.968 1.00 32.72 O ATOM 950 NE2 GLN E 103 -3.968 -21.533 -20.554 1.00 33.02 N ATOM 951 HE22 GLN E 103 -3.493 -22.431 -20.333 1.00 0.00 H ATOM 952 HE21 GLN E 103 -3.697 -20.997 -21.403 1.00 0.00 H ATOM 953 H GLN E 103 -3.458 -21.943 -15.495 1.00 0.00 H ATOM 954 N PRO E 104 -4.936 -18.221 -15.783 1.00 17.92 N ATOM 955 CA PRO E 104 -5.362 -17.381 -14.655 1.00 21.43 C ATOM 956 C PRO E 104 -6.690 -17.826 -14.034 1.00 28.14 C ATOM 957 O PRO E 104 -7.631 -17.032 -13.994 1.00 29.10 O ATOM 958 CB PRO E 104 -5.514 -15.998 -15.291 1.00 18.68 C ATOM 959 CG PRO E 104 -5.855 -16.289 -16.732 1.00 17.44 C ATOM 960 CD PRO E 104 -5.002 -17.493 -17.065 1.00 17.39 C ATOM 961 N THR E 105 -6.763 -19.071 -13.570 1.00 21.56 N ATOM 962 CA THR E 105 -7.959 -19.580 -12.913 1.00 22.32 C ATOM 963 C THR E 105 -7.624 -20.324 -11.630 1.00 25.69 C ATOM 964 O THR E 105 -6.546 -20.889 -11.479 1.00 22.09 O ATOM 965 CB THR E 105 -8.750 -20.550 -13.804 1.00 25.47 C ATOM 966 OG1 THR E 105 -7.991 -21.753 -13.962 1.00 27.69 O ATOM 967 CG2 THR E 105 -9.048 -19.935 -15.170 1.00 26.69 C ATOM 968 HG1 THR E 105 -8.493 -22.385 -14.535 1.00 0.00 H ATOM 969 H THR E 105 -5.942 -19.699 -13.680 1.00 0.00 H ATOM 970 N LEU E 106 -8.587 -20.343 -10.718 1.00 32.61 N ATOM 971 CA LEU E 106 -8.430 -21.016 -9.442 1.00 31.27 C ATOM 972 C LEU E 106 -8.061 -22.492 -9.612 1.00 25.73 C ATOM 973 O LEU E 106 -7.164 -22.994 -8.935 1.00 28.83 O ATOM 974 CB LEU E 106 -9.718 -20.869 -8.631 1.00 28.79 C ATOM 975 CG LEU E 106 -9.668 -21.348 -7.189 1.00 24.64 C ATOM 976 CD1 LEU E 106 -8.457 -20.759 -6.488 1.00 22.56 C ATOM 977 CD2 LEU E 106 -10.947 -20.944 -6.492 1.00 25.94 C ATOM 978 H LEU E 106 -9.484 -19.860 -10.924 1.00 0.00 H ATOM 979 N GLU E 107 -8.735 -23.186 -10.527 1.00 30.09 N ATOM 980 CA GLU E 107 -8.473 -24.613 -10.737 1.00 25.51 C ATOM 981 C GLU E 107 -7.042 -24.841 -11.221 1.00 29.62 C ATOM 982 O GLU E 107 -6.342 -25.744 -10.752 1.00 27.64 O ATOM 983 CB GLU E 107 -9.468 -25.204 -11.740 1.00 24.97 C ATOM 984 H GLU E 107 -9.458 -22.708 -11.102 1.00 0.00 H ATOM 985 N SER E 108 -6.610 -23.994 -12.150 1.00 28.30 N ATOM 986 CA SER E 108 -5.296 -24.110 -12.758 1.00 25.06 C ATOM 987 C SER E 108 -4.176 -23.825 -11.754 1.00 22.57 C ATOM 988 O SER E 108 -3.099 -24.412 -11.832 1.00 27.24 O ATOM 989 CB SER E 108 -5.193 -23.153 -13.949 1.00 25.49 C ATOM 990 OG SER E 108 -4.020 -23.389 -14.698 1.00 23.57 O ATOM 991 HG SER E 108 -4.030 -24.318 -15.040 1.00 0.00 H ATOM 992 H SER E 108 -7.236 -23.220 -12.452 1.00 0.00 H ATOM 993 N LEU E 109 -4.436 -22.928 -10.809 1.00 20.83 N ATOM 994 CA LEU E 109 -3.391 -22.465 -9.900 1.00 18.43 C ATOM 995 C LEU E 109 -3.373 -23.232 -8.583 1.00 25.88 C ATOM 996 O LEU E 109 -2.610 -22.905 -7.679 1.00 30.13 O ATOM 997 CB LEU E 109 -3.559 -20.969 -9.614 1.00 15.16 C ATOM 998 CG LEU E 109 -3.316 -20.066 -10.818 1.00 22.47 C ATOM 999 CD1 LEU E 109 -3.667 -18.613 -10.489 1.00 25.10 C ATOM 1000 CD2 LEU E 109 -1.887 -20.187 -11.253 1.00 15.37 C ATOM 1001 H LEU E 109 -5.400 -22.549 -10.715 1.00 0.00 H ATOM 1002 N LYS E 110 -4.222 -24.244 -8.473 1.00 28.09 N ATOM 1003 CA LYS E 110 -4.255 -25.074 -7.274 1.00 34.95 C ATOM 1004 C LYS E 110 -2.878 -25.687 -7.051 1.00 27.36 C ATOM 1005 O LYS E 110 -2.299 -26.285 -7.962 1.00 30.23 O ATOM 1006 CB LYS E 110 -5.318 -26.167 -7.407 1.00 46.51 C ATOM 1007 CG LYS E 110 -5.821 -26.740 -6.093 1.00 51.70 C ATOM 1008 CD LYS E 110 -5.871 -28.270 -6.143 1.00 57.19 C ATOM 1009 CE LYS E 110 -6.153 -28.792 -7.554 1.00 62.55 C ATOM 1010 NZ LYS E 110 -5.257 -29.934 -7.926 1.00 68.71 N ATOM 1011 HZ1 LYS E 110 -4.266 -29.622 -7.889 1.00 0.00 H ATOM 1012 HZ2 LYS E 110 -5.400 -30.717 -7.257 1.00 0.00 H ATOM 1013 HZ3 LYS E 110 -5.486 -30.253 -8.889 1.00 0.00 H ATOM 1014 H LYS E 110 -4.876 -24.450 -9.255 1.00 0.00 H ATOM 1015 N GLY E 111 -2.330 -25.499 -5.857 1.00 28.92 N ATOM 1016 CA GLY E 111 -1.040 -26.073 -5.523 1.00 30.68 C ATOM 1017 C GLY E 111 0.131 -25.374 -6.183 1.00 30.24 C ATOM 1018 O GLY E 111 1.262 -25.849 -6.099 1.00 27.04 O ATOM 1019 H GLY E 111 -2.834 -24.930 -5.148 1.00 0.00 H ATOM 1020 N LYS E 112 -0.136 -24.249 -6.844 1.00 23.23 N ATOM 1021 CA LYS E 112 0.916 -23.495 -7.513 1.00 21.02 C ATOM 1022 C LYS E 112 1.412 -22.368 -6.618 1.00 22.70 C ATOM 1023 O LYS E 112 0.675 -21.881 -5.764 1.00 23.02 O ATOM 1024 CB LYS E 112 0.417 -22.916 -8.840 1.00 24.05 C ATOM 1025 CG LYS E 112 -0.026 -23.954 -9.863 1.00 26.82 C ATOM 1026 CD LYS E 112 1.128 -24.860 -10.277 1.00 27.00 C ATOM 1027 CE LYS E 112 0.685 -25.859 -11.338 1.00 33.11 C ATOM 1028 NZ LYS E 112 1.819 -26.727 -11.763 1.00 35.44 N ATOM 1029 HZ1 LYS E 112 2.578 -26.135 -12.158 1.00 0.00 H ATOM 1030 HZ2 LYS E 112 2.179 -27.252 -10.941 1.00 0.00 H ATOM 1031 HZ3 LYS E 112 1.489 -27.398 -12.486 1.00 0.00 H ATOM 1032 H LYS E 112 -1.115 -23.902 -6.883 1.00 0.00 H ATOM 1033 N HIS E 113 2.660 -21.961 -6.834 1.00 25.83 N ATOM 1034 CA HIS E 113 3.254 -20.839 -6.122 1.00 17.99 C ATOM 1035 C HIS E 113 3.293 -19.634 -7.055 1.00 15.66 C ATOM 1036 O HIS E 113 3.916 -19.681 -8.113 1.00 21.89 O ATOM 1037 CB HIS E 113 4.643 -21.212 -5.626 1.00 21.95 C ATOM 1038 CG HIS E 113 4.680 -22.532 -4.920 1.00 31.91 C ATOM 1039 ND1 HIS E 113 4.101 -22.727 -3.688 1.00 33.89 N ATOM 1040 CD2 HIS E 113 5.191 -23.729 -5.293 1.00 35.63 C ATOM 1041 CE1 HIS E 113 4.266 -23.987 -3.320 1.00 37.62 C ATOM 1042 NE2 HIS E 113 4.924 -24.615 -4.279 1.00 31.50 N ATOM 1043 H HIS E 113 3.234 -22.465 -7.540 1.00 0.00 H ATOM 1044 N VAL E 114 2.614 -18.565 -6.650 1.00 17.91 N ATOM 1045 CA VAL E 114 2.341 -17.427 -7.519 1.00 15.87 C ATOM 1046 C VAL E 114 2.864 -16.139 -6.870 1.00 18.29 C ATOM 1047 O VAL E 114 2.513 -15.820 -5.739 1.00 19.56 O ATOM 1048 CB VAL E 114 0.822 -17.326 -7.818 1.00 14.43 C ATOM 1049 CG1 VAL E 114 0.492 -16.080 -8.646 1.00 15.93 C ATOM 1050 CG2 VAL E 114 0.344 -18.605 -8.522 1.00 18.64 C ATOM 1051 H VAL E 114 2.263 -18.540 -5.671 1.00 0.00 H ATOM 1052 N GLY E 115 3.725 -15.419 -7.584 1.00 17.70 N ATOM 1053 CA GLY E 115 4.325 -14.218 -7.034 1.00 16.80 C ATOM 1054 C GLY E 115 3.590 -12.952 -7.430 1.00 12.99 C ATOM 1055 O GLY E 115 3.125 -12.816 -8.573 1.00 14.74 O ATOM 1056 H GLY E 115 3.971 -15.721 -8.548 1.00 0.00 H ATOM 1057 N VAL E 116 3.462 -12.030 -6.480 1.00 12.41 N ATOM 1058 CA VAL E 116 2.899 -10.707 -6.766 1.00 16.83 C ATOM 1059 C VAL E 116 3.651 -9.620 -6.026 1.00 16.79 C ATOM 1060 O VAL E 116 4.146 -9.842 -4.921 1.00 15.73 O ATOM 1061 CB VAL E 116 1.400 -10.600 -6.368 1.00 9.17 C ATOM 1062 CG1 VAL E 116 0.535 -11.515 -7.244 1.00 17.45 C ATOM 1063 CG2 VAL E 116 1.200 -10.926 -4.886 1.00 10.13 C ATOM 1064 H VAL E 116 3.769 -12.253 -5.512 1.00 0.00 H ATOM 1065 N LEU E 117 3.692 -8.431 -6.626 1.00 15.68 N ATOM 1066 CA LEU E 117 4.254 -7.236 -5.995 1.00 10.71 C ATOM 1067 C LEU E 117 3.426 -6.725 -4.805 1.00 11.67 C ATOM 1068 O LEU E 117 2.223 -6.505 -4.916 1.00 15.26 O ATOM 1069 CB LEU E 117 4.383 -6.119 -7.037 1.00 10.82 C ATOM 1070 CG LEU E 117 5.008 -4.794 -6.604 1.00 14.99 C ATOM 1071 CD1 LEU E 117 6.407 -5.004 -6.064 1.00 10.88 C ATOM 1072 CD2 LEU E 117 5.031 -3.831 -7.779 1.00 13.36 C ATOM 1073 H LEU E 117 3.306 -8.348 -7.588 1.00 0.00 H ATOM 1074 N GLN E 118 4.090 -6.551 -3.668 1.00 13.30 N ATOM 1075 CA GLN E 118 3.455 -6.001 -2.477 1.00 16.36 C ATOM 1076 C GLN E 118 2.883 -4.608 -2.755 1.00 15.24 C ATOM 1077 O GLN E 118 3.593 -3.738 -3.274 1.00 14.69 O ATOM 1078 CB GLN E 118 4.475 -5.937 -1.338 1.00 19.80 C ATOM 1079 CG GLN E 118 3.969 -6.401 -0.004 1.00 34.17 C ATOM 1080 CD GLN E 118 5.095 -6.775 0.955 1.00 44.41 C ATOM 1081 OE1 GLN E 118 6.275 -6.493 0.705 1.00 39.60 O ATOM 1082 NE2 GLN E 118 4.732 -7.429 2.054 1.00 40.01 N ATOM 1083 HE22 GLN E 118 3.729 -7.645 2.223 1.00 0.00 H ATOM 1084 HE21 GLN E 118 5.451 -7.725 2.744 1.00 0.00 H ATOM 1085 H GLN E 118 5.095 -6.816 -3.626 1.00 0.00 H ATOM 1086 N GLY E 119 1.608 -4.412 -2.427 1.00 15.77 N ATOM 1087 CA GLY E 119 0.941 -3.128 -2.616 1.00 13.47 C ATOM 1088 C GLY E 119 0.393 -2.874 -4.014 1.00 13.79 C ATOM 1089 O GLY E 119 -0.136 -1.785 -4.290 1.00 13.10 O ATOM 1090 H GLY E 119 1.068 -5.203 -2.021 1.00 0.00 H ATOM 1091 N SER E 120 0.514 -3.870 -4.895 1.00 13.35 N ATOM 1092 CA SER E 120 0.013 -3.765 -6.271 1.00 12.61 C ATOM 1093 C SER E 120 -1.456 -4.175 -6.402 1.00 13.88 C ATOM 1094 O SER E 120 -2.025 -4.845 -5.523 1.00 13.93 O ATOM 1095 CB SER E 120 0.845 -4.628 -7.221 1.00 12.32 C ATOM 1096 OG SER E 120 0.641 -6.019 -6.955 1.00 13.97 O ATOM 1097 HG SER E 120 0.910 -6.219 -6.023 1.00 0.00 H ATOM 1098 H SER E 120 0.979 -4.751 -4.596 1.00 0.00 H ATOM 1099 N THR E 121 -2.064 -3.777 -7.511 1.00 10.90 N ATOM 1100 CA THR E 121 -3.424 -4.211 -7.837 1.00 11.91 C ATOM 1101 C THR E 121 -3.447 -5.730 -8.036 1.00 14.83 C ATOM 1102 O THR E 121 -4.447 -6.400 -7.746 1.00 14.94 O ATOM 1103 CB THR E 121 -3.943 -3.533 -9.104 1.00 13.72 C ATOM 1104 OG1 THR E 121 -3.086 -3.870 -10.198 1.00 16.41 O ATOM 1105 CG2 THR E 121 -3.955 -2.025 -8.937 1.00 15.35 C ATOM 1106 HG1 THR E 121 -3.418 -3.433 -11.022 1.00 0.00 H ATOM 1107 H THR E 121 -1.563 -3.142 -8.165 1.00 0.00 H ATOM 1108 N GLN E 122 -2.329 -6.267 -8.518 1.00 14.47 N ATOM 1109 CA GLN E 122 -2.176 -7.711 -8.718 1.00 10.95 C ATOM 1110 C GLN E 122 -2.208 -8.461 -7.386 1.00 14.81 C ATOM 1111 O GLN E 122 -2.806 -9.527 -7.287 1.00 15.26 O ATOM 1112 CB GLN E 122 -0.874 -8.012 -9.475 1.00 16.61 C ATOM 1113 CG GLN E 122 -0.882 -7.593 -10.944 1.00 14.84 C ATOM 1114 CD GLN E 122 -0.382 -6.176 -11.163 1.00 16.00 C ATOM 1115 OE1 GLN E 122 0.201 -5.571 -10.268 1.00 13.24 O ATOM 1116 NE2 GLN E 122 -0.603 -5.647 -12.361 1.00 13.24 N ATOM 1117 HE22 GLN E 122 -1.102 -6.198 -13.089 1.00 0.00 H ATOM 1118 HE21 GLN E 122 -0.277 -4.682 -12.571 1.00 0.00 H ATOM 1119 H GLN E 122 -1.536 -5.640 -8.761 1.00 0.00 H ATOM 1120 N GLU E 123 -1.571 -7.911 -6.357 1.00 15.76 N ATOM 1121 CA GLU E 123 -1.632 -8.534 -5.043 1.00 19.07 C ATOM 1122 C GLU E 123 -3.071 -8.535 -4.537 1.00 19.56 C ATOM 1123 O GLU E 123 -3.542 -9.537 -3.998 1.00 19.63 O ATOM 1124 CB GLU E 123 -0.712 -7.824 -4.047 1.00 14.24 C ATOM 1125 CG GLU E 123 -0.839 -8.345 -2.617 1.00 17.58 C ATOM 1126 CD GLU E 123 -0.131 -7.474 -1.599 1.00 21.82 C ATOM 1127 OE1 GLU E 123 -0.206 -6.225 -1.699 1.00 18.91 O ATOM 1128 OE2 GLU E 123 0.509 -8.044 -0.694 1.00 24.77 O ATOM 1129 H GLU E 123 -1.028 -7.034 -6.491 1.00 0.00 H ATOM 1130 N ALA E 124 -3.770 -7.420 -4.740 1.00 13.43 N ATOM 1131 CA ALA E 124 -5.154 -7.279 -4.303 1.00 21.91 C ATOM 1132 C ALA E 124 -6.026 -8.374 -4.918 1.00 23.18 C ATOM 1133 O ALA E 124 -6.727 -9.112 -4.208 1.00 20.09 O ATOM 1134 CB ALA E 124 -5.694 -5.896 -4.673 1.00 17.86 C ATOM 1135 H ALA E 124 -3.313 -6.623 -5.227 1.00 0.00 H ATOM 1136 N TYR E 125 -5.961 -8.473 -6.242 1.00 15.74 N ATOM 1137 CA TYR E 125 -6.684 -9.489 -6.985 1.00 10.73 C ATOM 1138 C TYR E 125 -6.305 -10.904 -6.533 1.00 16.50 C ATOM 1139 O TYR E 125 -7.172 -11.728 -6.268 1.00 18.01 O ATOM 1140 CB TYR E 125 -6.405 -9.335 -8.488 1.00 12.86 C ATOM 1141 CG TYR E 125 -7.190 -10.303 -9.341 1.00 13.37 C ATOM 1142 CD1 TYR E 125 -6.667 -11.552 -9.679 1.00 14.81 C ATOM 1143 CD2 TYR E 125 -8.466 -9.973 -9.802 1.00 20.41 C ATOM 1144 CE1 TYR E 125 -7.392 -12.441 -10.459 1.00 20.36 C ATOM 1145 CE2 TYR E 125 -9.197 -10.855 -10.576 1.00 19.80 C ATOM 1146 CZ TYR E 125 -8.657 -12.088 -10.900 1.00 25.03 C ATOM 1147 OH TYR E 125 -9.387 -12.960 -11.673 1.00 24.09 O ATOM 1148 HH TYR E 125 -9.583 -12.539 -12.548 1.00 0.00 H ATOM 1149 H TYR E 125 -5.369 -7.797 -6.766 1.00 0.00 H ATOM 1150 N ALA E 126 -5.005 -11.180 -6.455 1.00 15.02 N ATOM 1151 CA ALA E 126 -4.532 -12.534 -6.155 1.00 15.32 C ATOM 1152 C ALA E 126 -4.872 -12.947 -4.729 1.00 19.84 C ATOM 1153 O ALA E 126 -5.240 -14.100 -4.477 1.00 21.87 O ATOM 1154 CB ALA E 126 -3.028 -12.647 -6.388 1.00 13.06 C ATOM 1155 H ALA E 126 -4.312 -10.420 -6.610 1.00 0.00 H ATOM 1156 N ASN E 127 -4.745 -12.011 -3.793 1.00 18.06 N ATOM 1157 CA ASN E 127 -5.055 -12.304 -2.403 1.00 15.53 C ATOM 1158 C ASN E 127 -6.529 -12.649 -2.239 1.00 21.23 C ATOM 1159 O ASN E 127 -6.865 -13.657 -1.623 1.00 18.56 O ATOM 1160 CB ASN E 127 -4.674 -11.125 -1.509 1.00 17.43 C ATOM 1161 CG ASN E 127 -3.252 -11.213 -1.032 1.00 25.76 C ATOM 1162 OD1 ASN E 127 -2.546 -12.164 -1.359 1.00 25.93 O ATOM 1163 ND2 ASN E 127 -2.814 -10.226 -0.261 1.00 29.40 N ATOM 1164 HD22 ASN E 127 -3.449 -9.441 -0.010 1.00 0.00 H ATOM 1165 HD21 ASN E 127 -1.836 -10.237 0.093 1.00 0.00 H ATOM 1166 H ASN E 127 -4.420 -11.059 -4.058 1.00 0.00 H ATOM 1167 N ASP E 128 -7.399 -11.830 -2.821 1.00 23.29 N ATOM 1168 CA ASP E 128 -8.845 -12.033 -2.700 1.00 26.71 C ATOM 1169 C ASP E 128 -9.340 -13.298 -3.408 1.00 27.12 C ATOM 1170 O ASP E 128 -10.100 -14.078 -2.836 1.00 29.73 O ATOM 1171 CB ASP E 128 -9.603 -10.815 -3.247 1.00 19.30 C ATOM 1172 CG ASP E 128 -9.475 -9.593 -2.356 1.00 29.73 C ATOM 1173 OD1 ASP E 128 -8.747 -9.655 -1.338 1.00 25.89 O ATOM 1174 OD2 ASP E 128 -10.097 -8.557 -2.682 1.00 33.08 O ATOM 1175 H ASP E 128 -7.045 -11.025 -3.376 1.00 0.00 H ATOM 1176 N ASN E 129 -8.904 -13.498 -4.647 1.00 20.16 N ATOM 1177 CA ASN E 129 -9.457 -14.553 -5.489 1.00 21.93 C ATOM 1178 C ASN E 129 -8.726 -15.880 -5.418 1.00 16.46 C ATOM 1179 O ASN E 129 -9.308 -16.925 -5.712 1.00 17.27 O ATOM 1180 CB ASN E 129 -9.489 -14.096 -6.949 1.00 27.95 C ATOM 1181 CG ASN E 129 -10.437 -12.931 -7.174 1.00 32.45 C ATOM 1182 OD1 ASN E 129 -11.654 -13.075 -7.053 1.00 37.70 O ATOM 1183 ND2 ASN E 129 -9.885 -11.775 -7.515 1.00 23.33 N ATOM 1184 HD22 ASN E 129 -8.852 -11.699 -7.606 1.00 0.00 H ATOM 1185 HD21 ASN E 129 -10.485 -10.944 -7.692 1.00 0.00 H ATOM 1186 H ASN E 129 -8.151 -12.888 -5.025 1.00 0.00 H ATOM 1187 N TRP E 130 -7.445 -15.844 -5.065 1.00 19.31 N ATOM 1188 CA TRP E 130 -6.630 -17.054 -5.123 1.00 18.63 C ATOM 1189 C TRP E 130 -6.089 -17.473 -3.754 1.00 21.38 C ATOM 1190 O TRP E 130 -6.181 -18.652 -3.385 1.00 19.45 O ATOM 1191 CB TRP E 130 -5.469 -16.866 -6.113 1.00 14.51 C ATOM 1192 CG TRP E 130 -5.899 -16.619 -7.551 1.00 21.50 C ATOM 1193 CD1 TRP E 130 -7.109 -16.918 -8.117 1.00 21.08 C ATOM 1194 CD2 TRP E 130 -5.111 -16.016 -8.589 1.00 18.70 C ATOM 1195 NE1 TRP E 130 -7.117 -16.550 -9.448 1.00 21.96 N ATOM 1196 CE2 TRP E 130 -5.903 -15.992 -9.761 1.00 19.69 C ATOM 1197 CE3 TRP E 130 -3.814 -15.496 -8.642 1.00 13.85 C ATOM 1198 CZ2 TRP E 130 -5.438 -15.461 -10.973 1.00 18.84 C ATOM 1199 CZ3 TRP E 130 -3.349 -14.976 -9.856 1.00 15.55 C ATOM 1200 CH2 TRP E 130 -4.162 -14.959 -10.999 1.00 14.85 C ATOM 1201 HE1 TRP E 130 -7.913 -16.675 -10.106 1.00 0.00 H ATOM 1202 H TRP E 130 -7.021 -14.949 -4.746 1.00 0.00 H ATOM 1203 N ARG E 131 -5.534 -16.526 -2.995 1.00 11.76 N ATOM 1204 CA ARG E 131 -4.865 -16.891 -1.744 1.00 15.47 C ATOM 1205 C ARG E 131 -5.817 -17.455 -0.697 1.00 18.36 C ATOM 1206 O ARG E 131 -5.459 -18.375 0.039 1.00 19.28 O ATOM 1207 CB ARG E 131 -4.114 -15.701 -1.124 1.00 17.90 C ATOM 1208 CG ARG E 131 -3.176 -16.160 0.004 1.00 24.96 C ATOM 1209 CD ARG E 131 -2.286 -15.060 0.544 1.00 28.06 C ATOM 1210 NE ARG E 131 -2.994 -14.204 1.491 1.00 31.49 N ATOM 1211 CZ ARG E 131 -2.439 -13.171 2.115 1.00 33.54 C ATOM 1212 NH1 ARG E 131 -1.169 -12.854 1.880 1.00 33.43 N ATOM 1213 NH2 ARG E 131 -3.153 -12.450 2.968 1.00 36.95 N ATOM 1214 HE ARG E 131 -3.993 -14.416 1.689 1.00 0.00 H ATOM 1215 HH12 ARG E 131 -0.736 -12.045 2.369 1.00 0.00 H ATOM 1216 HH11 ARG E 131 -0.609 -13.415 1.207 1.00 0.00 H ATOM 1217 HH22 ARG E 131 -2.718 -11.641 3.456 1.00 0.00 H ATOM 1218 HH21 ARG E 131 -4.148 -12.693 3.149 1.00 0.00 H ATOM 1219 H ARG E 131 -5.576 -15.530 -3.291 1.00 0.00 H ATOM 1220 N THR E 132 -7.027 -16.907 -0.620 1.00 13.00 N ATOM 1221 CA THR E 132 -7.998 -17.365 0.372 1.00 18.04 C ATOM 1222 C THR E 132 -8.427 -18.774 0.032 1.00 19.76 C ATOM 1223 O THR E 132 -8.776 -19.566 0.914 1.00 16.32 O ATOM 1224 CB THR E 132 -9.248 -16.458 0.431 1.00 19.14 C ATOM 1225 OG1 THR E 132 -9.847 -16.385 -0.869 1.00 30.92 O ATOM 1226 CG2 THR E 132 -8.879 -15.051 0.874 1.00 23.15 C ATOM 1227 HG1 THR E 132 -9.195 -16.008 -1.511 1.00 0.00 H ATOM 1228 H THR E 132 -7.286 -16.142 -1.275 1.00 0.00 H ATOM 1229 N LYS E 133 -8.390 -19.078 -1.260 1.00 16.48 N ATOM 1230 CA LYS E 133 -8.872 -20.357 -1.772 1.00 19.63 C ATOM 1231 C LYS E 133 -7.779 -21.425 -1.835 1.00 21.16 C ATOM 1232 O LYS E 133 -7.960 -22.465 -2.464 1.00 20.51 O ATOM 1233 CB LYS E 133 -9.488 -20.169 -3.159 1.00 21.20 C ATOM 1234 CG LYS E 133 -10.594 -19.115 -3.214 1.00 28.64 C ATOM 1235 CD LYS E 133 -11.768 -19.494 -2.341 1.00 24.55 C ATOM 1236 CE LYS E 133 -12.859 -18.447 -2.406 1.00 30.80 C ATOM 1237 NZ LYS E 133 -12.383 -17.137 -1.887 1.00 30.14 N ATOM 1238 HZ1 LYS E 133 -12.086 -17.245 -0.896 1.00 0.00 H ATOM 1239 HZ2 LYS E 133 -11.577 -16.811 -2.458 1.00 0.00 H ATOM 1240 HZ3 LYS E 133 -13.154 -16.442 -1.945 1.00 0.00 H ATOM 1241 H LYS E 133 -8.005 -18.382 -1.929 1.00 0.00 H ATOM 1242 N GLY E 134 -6.646 -21.159 -1.192 1.00 19.84 N ATOM 1243 CA GLY E 134 -5.629 -22.180 -1.012 1.00 23.21 C ATOM 1244 C GLY E 134 -4.416 -22.063 -1.917 1.00 29.81 C ATOM 1245 O GLY E 134 -3.423 -22.761 -1.701 1.00 29.79 O ATOM 1246 H GLY E 134 -6.485 -20.204 -0.812 1.00 0.00 H ATOM 1247 N VAL E 135 -4.490 -21.202 -2.929 1.00 22.86 N ATOM 1248 CA VAL E 135 -3.342 -20.952 -3.797 1.00 19.66 C ATOM 1249 C VAL E 135 -2.229 -20.269 -3.000 1.00 23.54 C ATOM 1250 O VAL E 135 -2.492 -19.336 -2.241 1.00 21.98 O ATOM 1251 CB VAL E 135 -3.722 -20.078 -5.010 1.00 15.57 C ATOM 1252 CG1 VAL E 135 -2.484 -19.682 -5.801 1.00 18.12 C ATOM 1253 CG2 VAL E 135 -4.705 -20.807 -5.903 1.00 18.81 C ATOM 1254 H VAL E 135 -5.382 -20.697 -3.105 1.00 0.00 H ATOM 1255 N ASP E 136 -0.990 -20.734 -3.147 1.00 17.30 N ATOM 1256 CA ASP E 136 0.111 -20.106 -2.419 1.00 19.66 C ATOM 1257 C ASP E 136 0.542 -18.787 -3.076 1.00 21.10 C ATOM 1258 O ASP E 136 1.526 -18.740 -3.816 1.00 20.23 O ATOM 1259 CB ASP E 136 1.298 -21.065 -2.317 1.00 24.62 C ATOM 1260 CG ASP E 136 2.456 -20.485 -1.533 1.00 26.60 C ATOM 1261 OD1 ASP E 136 2.231 -19.617 -0.651 1.00 26.46 O ATOM 1262 OD2 ASP E 136 3.600 -20.908 -1.799 1.00 30.89 O ATOM 1263 H ASP E 136 -0.806 -21.541 -3.777 1.00 0.00 H ATOM 1264 N VAL E 137 -0.206 -17.721 -2.801 1.00 18.07 N ATOM 1265 CA VAL E 137 0.150 -16.388 -3.289 1.00 16.36 C ATOM 1266 C VAL E 137 1.202 -15.758 -2.388 1.00 23.11 C ATOM 1267 O VAL E 137 0.943 -15.511 -1.204 1.00 21.47 O ATOM 1268 CB VAL E 137 -1.075 -15.466 -3.354 1.00 16.44 C ATOM 1269 CG1 VAL E 137 -0.661 -14.062 -3.846 1.00 14.88 C ATOM 1270 CG2 VAL E 137 -2.134 -16.072 -4.253 1.00 14.32 C ATOM 1271 H VAL E 137 -1.064 -17.838 -2.225 1.00 0.00 H ATOM 1272 N VAL E 138 2.384 -15.508 -2.950 1.00 17.72 N ATOM 1273 CA VAL E 138 3.485 -14.915 -2.209 1.00 18.37 C ATOM 1274 C VAL E 138 3.720 -13.466 -2.640 1.00 20.46 C ATOM 1275 O VAL E 138 3.867 -13.189 -3.830 1.00 17.13 O ATOM 1276 CB VAL E 138 4.762 -15.734 -2.405 1.00 15.99 C ATOM 1277 CG1 VAL E 138 5.883 -15.194 -1.553 1.00 19.25 C ATOM 1278 CG2 VAL E 138 4.489 -17.181 -2.038 1.00 19.99 C ATOM 1279 H VAL E 138 2.524 -15.745 -3.953 1.00 0.00 H ATOM 1280 N ALA E 139 3.736 -12.551 -1.674 1.00 16.78 N ATOM 1281 CA ALA E 139 3.965 -11.133 -1.958 1.00 19.93 C ATOM 1282 C ALA E 139 5.458 -10.804 -1.876 1.00 19.80 C ATOM 1283 O ALA E 139 6.174 -11.363 -1.048 1.00 21.91 O ATOM 1284 CB ALA E 139 3.165 -10.257 -0.991 1.00 20.93 C ATOM 1285 H ALA E 139 3.582 -12.851 -0.690 1.00 0.00 H ATOM 1286 N TYR E 140 5.918 -9.888 -2.723 1.00 16.64 N ATOM 1287 CA TYR E 140 7.339 -9.566 -2.813 1.00 13.53 C ATOM 1288 C TYR E 140 7.556 -8.069 -2.684 1.00 14.61 C ATOM 1289 O TYR E 140 6.733 -7.293 -3.156 1.00 15.54 O ATOM 1290 CB TYR E 140 7.913 -10.047 -4.140 1.00 12.89 C ATOM 1291 CG TYR E 140 8.162 -11.536 -4.219 1.00 15.55 C ATOM 1292 CD1 TYR E 140 7.117 -12.427 -4.396 1.00 16.53 C ATOM 1293 CD2 TYR E 140 9.453 -12.043 -4.131 1.00 22.69 C ATOM 1294 CE1 TYR E 140 7.351 -13.800 -4.474 1.00 15.43 C ATOM 1295 CE2 TYR E 140 9.700 -13.400 -4.209 1.00 19.41 C ATOM 1296 CZ TYR E 140 8.642 -14.276 -4.375 1.00 23.92 C ATOM 1297 OH TYR E 140 8.889 -15.628 -4.448 1.00 22.24 O ATOM 1298 HH TYR E 140 9.327 -15.928 -3.612 1.00 0.00 H ATOM 1299 H TYR E 140 5.246 -9.387 -3.339 1.00 0.00 H ATOM 1300 N ALA E 141 8.656 -7.666 -2.058 1.00 13.83 N ATOM 1301 CA ALA E 141 8.946 -6.242 -1.924 1.00 17.85 C ATOM 1302 C ALA E 141 9.085 -5.597 -3.300 1.00 15.65 C ATOM 1303 O ALA E 141 8.669 -4.453 -3.492 1.00 19.14 O ATOM 1304 CB ALA E 141 10.201 -6.019 -1.101 1.00 12.87 C ATOM 1305 H ALA E 141 9.313 -8.368 -1.662 1.00 0.00 H ATOM 1306 N ASN E 142 9.673 -6.320 -4.251 1.00 9.54 N ATOM 1307 CA ASN E 142 9.842 -5.770 -5.591 1.00 14.10 C ATOM 1308 C ASN E 142 9.775 -6.819 -6.690 1.00 19.40 C ATOM 1309 O ASN E 142 9.950 -8.017 -6.438 1.00 19.73 O ATOM 1310 CB ASN E 142 11.167 -4.997 -5.704 1.00 17.08 C ATOM 1311 CG ASN E 142 12.381 -5.899 -5.719 1.00 20.35 C ATOM 1312 OD1 ASN E 142 12.642 -6.594 -6.700 1.00 21.54 O ATOM 1313 ND2 ASN E 142 13.161 -5.855 -4.646 1.00 25.52 N ATOM 1314 HD22 ASN E 142 12.901 -5.253 -3.839 1.00 0.00 H ATOM 1315 HD21 ASN E 142 14.032 -6.423 -4.613 1.00 0.00 H ATOM 1316 H ASN E 142 10.013 -7.280 -4.038 1.00 0.00 H ATOM 1317 N GLN E 143 9.560 -6.348 -7.918 1.00 11.96 N ATOM 1318 CA GLN E 143 9.339 -7.233 -9.063 1.00 14.07 C ATOM 1319 C GLN E 143 10.592 -7.985 -9.493 1.00 15.83 C ATOM 1320 O GLN E 143 10.497 -9.071 -10.074 1.00 15.72 O ATOM 1321 CB GLN E 143 8.780 -6.436 -10.253 1.00 19.91 C ATOM 1322 CG GLN E 143 8.326 -7.292 -11.456 1.00 17.08 C ATOM 1323 CD GLN E 143 7.096 -8.157 -11.179 1.00 18.14 C ATOM 1324 OE1 GLN E 143 6.180 -7.756 -10.456 1.00 17.86 O ATOM 1325 NE2 GLN E 143 7.067 -9.347 -11.775 1.00 12.26 N ATOM 1326 HE22 GLN E 143 7.861 -9.647 -12.377 1.00 0.00 H ATOM 1327 HE21 GLN E 143 6.251 -9.977 -11.639 1.00 0.00 H ATOM 1328 H GLN E 143 9.549 -5.319 -8.068 1.00 0.00 H ATOM 1329 N ASP E 144 11.773 -7.432 -9.238 1.00 15.79 N ATOM 1330 CA ASP E 144 12.966 -8.157 -9.673 1.00 22.80 C ATOM 1331 C ASP E 144 13.165 -9.442 -8.857 1.00 18.23 C ATOM 1332 O ASP E 144 13.557 -10.472 -9.411 1.00 20.05 O ATOM 1333 CB ASP E 144 14.193 -7.254 -9.615 1.00 29.28 C ATOM 1334 CG ASP E 144 14.219 -6.253 -10.764 1.00 32.50 C ATOM 1335 OD1 ASP E 144 13.610 -6.537 -11.818 1.00 35.65 O ATOM 1336 OD2 ASP E 144 14.834 -5.182 -10.615 1.00 33.44 O ATOM 1337 H ASP E 144 11.846 -6.518 -8.747 1.00 0.00 H ATOM 1338 N LEU E 145 12.858 -9.402 -7.561 1.00 20.81 N ATOM 1339 CA LEU E 145 12.895 -10.621 -6.736 1.00 22.45 C ATOM 1340 C LEU E 145 11.910 -11.681 -7.254 1.00 24.24 C ATOM 1341 O LEU E 145 12.188 -12.889 -7.205 1.00 20.87 O ATOM 1342 CB LEU E 145 12.575 -10.308 -5.269 1.00 20.72 C ATOM 1343 CG LEU E 145 13.536 -9.457 -4.438 1.00 27.44 C ATOM 1344 CD1 LEU E 145 12.846 -8.945 -3.173 1.00 28.14 C ATOM 1345 CD2 LEU E 145 14.783 -10.254 -4.083 1.00 28.81 C ATOM 1346 H LEU E 145 12.588 -8.497 -7.126 1.00 0.00 H ATOM 1347 N ILE E 146 10.760 -11.227 -7.744 1.00 16.33 N ATOM 1348 CA ILE E 146 9.769 -12.132 -8.329 1.00 15.66 C ATOM 1349 C ILE E 146 10.301 -12.844 -9.563 1.00 22.49 C ATOM 1350 O ILE E 146 10.190 -14.069 -9.677 1.00 21.18 O ATOM 1351 CB ILE E 146 8.495 -11.397 -8.730 1.00 19.01 C ATOM 1352 CG1 ILE E 146 7.848 -10.757 -7.513 1.00 16.00 C ATOM 1353 CG2 ILE E 146 7.517 -12.361 -9.408 1.00 12.25 C ATOM 1354 CD1 ILE E 146 6.507 -10.096 -7.830 1.00 15.89 C ATOM 1355 H ILE E 146 10.560 -10.207 -7.711 1.00 0.00 H ATOM 1356 N TYR E 147 10.862 -12.076 -10.495 1.00 22.21 N ATOM 1357 CA TYR E 147 11.438 -12.665 -11.690 1.00 19.14 C ATOM 1358 C TYR E 147 12.508 -13.691 -11.326 1.00 23.23 C ATOM 1359 O TYR E 147 12.595 -14.758 -11.940 1.00 20.36 O ATOM 1360 CB TYR E 147 12.047 -11.596 -12.591 1.00 19.14 C ATOM 1361 CG TYR E 147 11.057 -10.670 -13.267 1.00 20.48 C ATOM 1362 CD1 TYR E 147 9.820 -11.130 -13.717 1.00 19.05 C ATOM 1363 CD2 TYR E 147 11.369 -9.333 -13.462 1.00 20.72 C ATOM 1364 CE1 TYR E 147 8.928 -10.270 -14.342 1.00 18.47 C ATOM 1365 CE2 TYR E 147 10.486 -8.472 -14.083 1.00 20.31 C ATOM 1366 CZ TYR E 147 9.273 -8.942 -14.518 1.00 16.90 C ATOM 1367 OH TYR E 147 8.408 -8.065 -15.128 1.00 19.17 O ATOM 1368 HH TYR E 147 8.838 -7.688 -15.936 1.00 0.00 H ATOM 1369 H TYR E 147 10.888 -11.044 -10.365 1.00 0.00 H ATOM 1370 N SER E 148 13.319 -13.365 -10.324 1.00 19.18 N ATOM 1371 CA SER E 148 14.430 -14.237 -9.928 1.00 24.87 C ATOM 1372 C SER E 148 13.954 -15.521 -9.268 1.00 24.17 C ATOM 1373 O SER E 148 14.547 -16.577 -9.466 1.00 24.62 O ATOM 1374 CB SER E 148 15.377 -13.508 -8.977 1.00 27.01 C ATOM 1375 OG SER E 148 15.991 -12.425 -9.641 1.00 39.55 O ATOM 1376 HG SER E 148 15.295 -11.794 -9.955 1.00 0.00 H ATOM 1377 H SER E 148 13.162 -12.474 -9.811 1.00 0.00 H ATOM 1378 N ASP E 149 12.893 -15.431 -8.477 1.00 18.56 N ATOM 1379 CA ASP E 149 12.339 -16.624 -7.853 1.00 28.33 C ATOM 1380 C ASP E 149 11.642 -17.486 -8.913 1.00 28.07 C ATOM 1381 O ASP E 149 11.603 -18.718 -8.801 1.00 27.72 O ATOM 1382 CB ASP E 149 11.385 -16.254 -6.707 1.00 24.16 C ATOM 1383 CG ASP E 149 12.108 -16.092 -5.368 1.00 27.86 C ATOM 1384 OD1 ASP E 149 13.351 -15.943 -5.374 1.00 30.03 O ATOM 1385 OD2 ASP E 149 11.441 -16.116 -4.304 1.00 24.26 O ATOM 1386 H ASP E 149 12.455 -14.504 -8.302 1.00 0.00 H ATOM 1387 N LEU E 150 11.120 -16.847 -9.959 1.00 20.94 N ATOM 1388 CA LEU E 150 10.497 -17.594 -11.046 1.00 19.51 C ATOM 1389 C LEU E 150 11.566 -18.412 -11.777 1.00 32.43 C ATOM 1390 O LEU E 150 11.424 -19.624 -11.984 1.00 30.20 O ATOM 1391 CB LEU E 150 9.782 -16.649 -12.012 1.00 19.83 C ATOM 1392 CG LEU E 150 9.046 -17.319 -13.175 1.00 26.23 C ATOM 1393 CD1 LEU E 150 7.922 -18.217 -12.675 1.00 27.74 C ATOM 1394 CD2 LEU E 150 8.501 -16.275 -14.138 1.00 25.40 C ATOM 1395 H LEU E 150 11.157 -15.808 -10.001 1.00 0.00 H ATOM 1396 N THR E 151 12.657 -17.747 -12.142 1.00 29.78 N ATOM 1397 CA THR E 151 13.706 -18.404 -12.908 1.00 33.45 C ATOM 1398 C THR E 151 14.427 -19.475 -12.084 1.00 34.65 C ATOM 1399 O THR E 151 14.970 -20.419 -12.646 1.00 31.64 O ATOM 1400 CB THR E 151 14.727 -17.394 -13.435 1.00 23.64 C ATOM 1401 OG1 THR E 151 15.241 -16.632 -12.338 1.00 34.88 O ATOM 1402 CG2 THR E 151 14.063 -16.454 -14.439 1.00 20.35 C ATOM 1403 HG1 THR E 151 15.903 -15.977 -12.674 1.00 0.00 H ATOM 1404 H THR E 151 12.762 -16.747 -11.878 1.00 0.00 H ATOM 1405 N ALA E 152 14.419 -19.338 -10.760 1.00 28.89 N ATOM 1406 CA ALA E 152 15.063 -20.331 -9.899 1.00 32.86 C ATOM 1407 C ALA E 152 14.105 -21.457 -9.496 1.00 37.29 C ATOM 1408 O ALA E 152 14.500 -22.414 -8.830 1.00 34.11 O ATOM 1409 CB ALA E 152 15.642 -19.665 -8.662 1.00 30.42 C ATOM 1410 H ALA E 152 13.949 -18.515 -10.332 1.00 0.00 H ATOM 1411 N GLY E 153 12.846 -21.345 -9.897 1.00 31.17 N ATOM 1412 CA GLY E 153 11.906 -22.429 -9.691 1.00 31.40 C ATOM 1413 C GLY E 153 11.144 -22.367 -8.383 1.00 30.50 C ATOM 1414 O GLY E 153 10.352 -23.256 -8.086 1.00 29.96 O ATOM 1415 H GLY E 153 12.530 -20.471 -10.364 1.00 0.00 H ATOM 1416 N ARG E 154 11.376 -21.322 -7.594 1.00 27.12 N ATOM 1417 CA ARG E 154 10.641 -21.151 -6.346 1.00 23.08 C ATOM 1418 C ARG E 154 9.215 -20.720 -6.633 1.00 24.63 C ATOM 1419 O ARG E 154 8.312 -20.947 -5.828 1.00 27.78 O ATOM 1420 CB ARG E 154 11.335 -20.134 -5.436 1.00 28.87 C ATOM 1421 CG ARG E 154 12.455 -20.739 -4.601 1.00 37.30 C ATOM 1422 CD ARG E 154 13.247 -19.679 -3.854 1.00 43.15 C ATOM 1423 NE ARG E 154 14.272 -19.082 -4.704 1.00 45.64 N ATOM 1424 HE ARG E 154 14.381 -19.400 -5.688 1.00 0.00 H ATOM 1425 H ARG E 154 12.090 -20.618 -7.870 1.00 0.00 H ATOM 1426 N LEU E 155 9.018 -20.100 -7.791 1.00 21.31 N ATOM 1427 CA LEU E 155 7.689 -19.697 -8.221 1.00 18.74 C ATOM 1428 C LEU E 155 7.299 -20.452 -9.479 1.00 19.43 C ATOM 1429 O LEU E 155 8.140 -20.718 -10.339 1.00 26.39 O ATOM 1430 CB LEU E 155 7.630 -18.185 -8.482 1.00 18.19 C ATOM 1431 CG LEU E 155 7.705 -17.269 -7.259 1.00 19.67 C ATOM 1432 CD1 LEU E 155 7.822 -15.813 -7.675 1.00 18.62 C ATOM 1433 CD2 LEU E 155 6.492 -17.452 -6.362 1.00 21.35 C ATOM 1434 H LEU E 155 9.833 -19.898 -8.404 1.00 0.00 H ATOM 1435 N ASP E 156 6.024 -20.789 -9.581 1.00 17.89 N ATOM 1436 CA ASP E 156 5.481 -21.381 -10.799 1.00 23.22 C ATOM 1437 C ASP E 156 4.946 -20.314 -11.743 1.00 17.88 C ATOM 1438 O ASP E 156 4.925 -20.486 -12.961 1.00 20.23 O ATOM 1439 CB ASP E 156 4.370 -22.364 -10.453 1.00 21.14 C ATOM 1440 CG ASP E 156 4.857 -23.501 -9.591 1.00 28.24 C ATOM 1441 OD1 ASP E 156 5.911 -24.099 -9.924 1.00 25.47 O ATOM 1442 OD2 ASP E 156 4.184 -23.785 -8.577 1.00 29.29 O ATOM 1443 H ASP E 156 5.392 -20.628 -8.771 1.00 0.00 H ATOM 1444 N ALA E 157 4.497 -19.205 -11.178 1.00 13.57 N ATOM 1445 CA ALA E 157 3.912 -18.151 -11.999 1.00 14.16 C ATOM 1446 C ALA E 157 3.965 -16.824 -11.273 1.00 17.03 C ATOM 1447 O ALA E 157 4.112 -16.780 -10.054 1.00 23.23 O ATOM 1448 CB ALA E 157 2.473 -18.498 -12.370 1.00 17.04 C ATOM 1449 H ALA E 157 4.561 -19.085 -10.147 1.00 0.00 H ATOM 1450 N ALA E 158 3.847 -15.744 -12.034 1.00 14.48 N ATOM 1451 CA ALA E 158 3.841 -14.411 -11.459 1.00 13.30 C ATOM 1452 C ALA E 158 2.812 -13.545 -12.172 1.00 12.66 C ATOM 1453 O ALA E 158 2.575 -13.699 -13.378 1.00 12.54 O ATOM 1454 CB ALA E 158 5.223 -13.786 -11.550 1.00 15.06 C ATOM 1455 H ALA E 158 3.757 -15.854 -13.064 1.00 0.00 H ATOM 1456 N LEU E 159 2.208 -12.630 -11.425 1.00 15.25 N ATOM 1457 CA LEU E 159 1.181 -11.748 -11.968 1.00 14.93 C ATOM 1458 C LEU E 159 1.615 -10.293 -11.830 1.00 13.76 C ATOM 1459 O LEU E 159 1.935 -9.844 -10.739 1.00 11.70 O ATOM 1460 CB LEU E 159 -0.151 -11.970 -11.255 1.00 15.51 C ATOM 1461 CG LEU E 159 -1.344 -11.180 -11.798 1.00 14.88 C ATOM 1462 CD1 LEU E 159 -1.752 -11.712 -13.187 1.00 13.18 C ATOM 1463 CD2 LEU E 159 -2.537 -11.198 -10.834 1.00 12.07 C ATOM 1464 H LEU E 159 2.474 -12.539 -10.424 1.00 0.00 H ATOM 1465 N GLN E 160 1.642 -9.578 -12.948 1.00 11.70 N ATOM 1466 CA GLN E 160 2.113 -8.191 -12.983 1.00 14.37 C ATOM 1467 C GLN E 160 1.551 -7.518 -14.234 1.00 15.77 C ATOM 1468 O GLN E 160 0.781 -8.146 -14.974 1.00 14.44 O ATOM 1469 CB GLN E 160 3.646 -8.134 -12.984 1.00 12.97 C ATOM 1470 CG GLN E 160 4.292 -8.908 -14.129 1.00 10.52 C ATOM 1471 CD GLN E 160 4.260 -10.415 -13.895 1.00 13.97 C ATOM 1472 OE1 GLN E 160 4.756 -10.904 -12.878 1.00 17.01 O ATOM 1473 NE2 GLN E 160 3.660 -11.149 -14.826 1.00 13.07 N ATOM 1474 HE22 GLN E 160 3.256 -10.692 -15.668 1.00 0.00 H ATOM 1475 HE21 GLN E 160 3.595 -12.181 -14.713 1.00 0.00 H ATOM 1476 H GLN E 160 1.317 -10.019 -13.832 1.00 0.00 H ATOM 1477 N ASP E 161 1.935 -6.262 -14.483 1.00 10.63 N ATOM 1478 CA ASP E 161 1.472 -5.576 -15.682 1.00 12.87 C ATOM 1479 C ASP E 161 2.025 -6.300 -16.925 1.00 15.15 C ATOM 1480 O ASP E 161 3.187 -6.708 -16.954 1.00 14.28 O ATOM 1481 CB ASP E 161 1.901 -4.104 -15.690 1.00 11.24 C ATOM 1482 CG ASP E 161 1.092 -3.227 -14.722 1.00 14.42 C ATOM 1483 OD1 ASP E 161 0.035 -3.668 -14.207 1.00 13.92 O ATOM 1484 OD2 ASP E 161 1.516 -2.066 -14.492 1.00 14.92 O ATOM 1485 H ASP E 161 2.567 -5.772 -13.818 1.00 0.00 H ATOM 1486 N GLU E 162 1.186 -6.451 -17.940 1.00 12.26 N ATOM 1487 CA GLU E 162 1.550 -7.219 -19.128 1.00 12.94 C ATOM 1488 C GLU E 162 2.767 -6.647 -19.834 1.00 14.25 C ATOM 1489 O GLU E 162 3.691 -7.370 -20.194 1.00 15.73 O ATOM 1490 CB GLU E 162 0.370 -7.266 -20.104 1.00 19.02 C ATOM 1491 CG GLU E 162 0.620 -8.128 -21.326 1.00 25.87 C ATOM 1492 CD GLU E 162 -0.637 -8.328 -22.149 1.00 24.20 C ATOM 1493 OE1 GLU E 162 -1.636 -7.629 -21.888 1.00 34.11 O ATOM 1494 OE2 GLU E 162 -0.625 -9.187 -23.052 1.00 25.09 O ATOM 1495 H GLU E 162 0.245 -6.012 -17.889 1.00 0.00 H ATOM 1496 N VAL E 163 2.759 -5.337 -20.040 1.00 17.57 N ATOM 1497 CA VAL E 163 3.816 -4.708 -20.816 1.00 15.66 C ATOM 1498 C VAL E 163 5.143 -4.789 -20.070 1.00 15.98 C ATOM 1499 O VAL E 163 6.191 -4.983 -20.685 1.00 19.03 O ATOM 1500 CB VAL E 163 3.466 -3.250 -21.146 1.00 14.01 C ATOM 1501 CG1 VAL E 163 4.614 -2.572 -21.846 1.00 14.97 C ATOM 1502 CG2 VAL E 163 2.197 -3.207 -22.024 1.00 15.02 C ATOM 1503 H VAL E 163 1.992 -4.756 -19.644 1.00 0.00 H ATOM 1504 N ALA E 164 5.089 -4.673 -18.743 1.00 16.31 N ATOM 1505 CA ALA E 164 6.293 -4.743 -17.926 1.00 13.72 C ATOM 1506 C ALA E 164 6.912 -6.131 -18.031 1.00 19.01 C ATOM 1507 O ALA E 164 8.122 -6.261 -18.234 1.00 17.85 O ATOM 1508 CB ALA E 164 5.988 -4.394 -16.463 1.00 8.56 C ATOM 1509 H ALA E 164 4.168 -4.530 -18.281 1.00 0.00 H ATOM 1510 N ALA E 165 6.078 -7.159 -17.895 1.00 14.87 N ATOM 1511 CA ALA E 165 6.547 -8.538 -18.032 1.00 15.68 C ATOM 1512 C ALA E 165 7.120 -8.750 -19.426 1.00 16.38 C ATOM 1513 O ALA E 165 8.238 -9.265 -19.586 1.00 18.94 O ATOM 1514 CB ALA E 165 5.419 -9.531 -17.767 1.00 13.90 C ATOM 1515 H ALA E 165 5.075 -6.979 -17.688 1.00 0.00 H ATOM 1516 N SER E 166 6.367 -8.327 -20.435 1.00 14.65 N ATOM 1517 CA SER E 166 6.787 -8.538 -21.818 1.00 18.37 C ATOM 1518 C SER E 166 8.123 -7.872 -22.134 1.00 21.83 C ATOM 1519 O SER E 166 9.069 -8.547 -22.539 1.00 21.92 O ATOM 1520 CB SER E 166 5.741 -8.021 -22.797 1.00 22.12 C ATOM 1521 OG SER E 166 6.177 -8.256 -24.130 1.00 20.98 O ATOM 1522 HG SER E 166 6.305 -9.228 -24.268 1.00 0.00 H ATOM 1523 H SER E 166 5.469 -7.841 -20.238 1.00 0.00 H ATOM 1524 N GLU E 167 8.194 -6.553 -21.959 1.00 18.11 N ATOM 1525 CA GLU E 167 9.387 -5.806 -22.360 1.00 26.29 C ATOM 1526 C GLU E 167 10.506 -5.910 -21.322 1.00 18.24 C ATOM 1527 O GLU E 167 11.677 -5.856 -21.666 1.00 20.06 O ATOM 1528 CB GLU E 167 9.048 -4.328 -22.617 1.00 22.79 C ATOM 1529 CG GLU E 167 7.969 -4.068 -23.693 1.00 17.01 C ATOM 1530 CD GLU E 167 8.408 -4.452 -25.111 1.00 26.45 C ATOM 1531 OE1 GLU E 167 9.625 -4.634 -25.354 1.00 22.12 O ATOM 1532 OE2 GLU E 167 7.524 -4.561 -25.990 1.00 28.80 O ATOM 1533 H GLU E 167 7.391 -6.048 -21.532 1.00 0.00 H ATOM 1534 N GLY E 168 10.149 -6.078 -20.055 1.00 16.00 N ATOM 1535 CA GLY E 168 11.149 -6.071 -19.004 1.00 14.17 C ATOM 1536 C GLY E 168 11.725 -7.438 -18.661 1.00 26.73 C ATOM 1537 O GLY E 168 12.705 -7.531 -17.923 1.00 27.50 O ATOM 1538 H GLY E 168 9.147 -6.215 -19.814 1.00 0.00 H ATOM 1539 N PHE E 169 11.129 -8.506 -19.186 1.00 23.41 N ATOM 1540 CA PHE E 169 11.568 -9.853 -18.806 1.00 20.30 C ATOM 1541 C PHE E 169 11.488 -10.856 -19.960 1.00 21.45 C ATOM 1542 O PHE E 169 12.512 -11.415 -20.359 1.00 24.98 O ATOM 1543 CB PHE E 169 10.749 -10.353 -17.609 1.00 14.62 C ATOM 1544 CG PHE E 169 11.092 -11.755 -17.165 1.00 20.64 C ATOM 1545 CD1 PHE E 169 12.294 -12.023 -16.531 1.00 19.00 C ATOM 1546 CD2 PHE E 169 10.189 -12.801 -17.354 1.00 18.10 C ATOM 1547 CE1 PHE E 169 12.609 -13.320 -16.112 1.00 21.41 C ATOM 1548 CE2 PHE E 169 10.495 -14.098 -16.936 1.00 22.75 C ATOM 1549 CZ PHE E 169 11.709 -14.355 -16.311 1.00 20.84 C ATOM 1550 H PHE E 169 10.352 -8.385 -19.866 1.00 0.00 H ATOM 1551 N LEU E 170 10.289 -11.080 -20.492 1.00 17.96 N ATOM 1552 CA LEU E 170 10.093 -12.078 -21.557 1.00 21.20 C ATOM 1553 C LEU E 170 10.964 -11.853 -22.794 1.00 22.36 C ATOM 1554 O LEU E 170 11.449 -12.811 -23.403 1.00 26.06 O ATOM 1555 CB LEU E 170 8.632 -12.123 -21.990 1.00 21.84 C ATOM 1556 CG LEU E 170 7.627 -12.628 -20.958 1.00 15.88 C ATOM 1557 CD1 LEU E 170 6.253 -12.795 -21.600 1.00 17.95 C ATOM 1558 CD2 LEU E 170 8.120 -13.936 -20.336 1.00 17.85 C ATOM 1559 H LEU E 170 9.471 -10.538 -20.148 1.00 0.00 H ATOM 1560 N LYS E 171 11.165 -10.594 -23.160 1.00 18.87 N ATOM 1561 CA LYS E 171 11.941 -10.267 -24.348 1.00 20.11 C ATOM 1562 C LYS E 171 13.416 -10.058 -24.021 1.00 22.52 C ATOM 1563 O LYS E 171 14.205 -9.725 -24.894 1.00 25.54 O ATOM 1564 CB LYS E 171 11.358 -9.030 -25.028 1.00 22.40 C ATOM 1565 CG LYS E 171 10.034 -9.308 -25.712 1.00 23.32 C ATOM 1566 CD LYS E 171 9.311 -8.033 -26.121 1.00 30.13 C ATOM 1567 CE LYS E 171 10.000 -7.355 -27.294 1.00 39.60 C ATOM 1568 NZ LYS E 171 9.355 -6.053 -27.654 1.00 48.30 N ATOM 1569 HZ1 LYS E 171 8.362 -6.220 -27.915 1.00 0.00 H ATOM 1570 HZ2 LYS E 171 9.397 -5.409 -26.838 1.00 0.00 H ATOM 1571 HZ3 LYS E 171 9.859 -5.628 -28.458 1.00 0.00 H ATOM 1572 H LYS E 171 10.761 -9.826 -22.588 1.00 0.00 H ATOM 1573 N GLN E 172 13.769 -10.253 -22.755 1.00 19.19 N ATOM 1574 CA GLN E 172 15.154 -10.197 -22.300 1.00 20.04 C ATOM 1575 C GLN E 172 15.723 -11.612 -22.239 1.00 31.11 C ATOM 1576 O GLN E 172 14.961 -12.579 -22.209 1.00 30.21 O ATOM 1577 CB GLN E 172 15.240 -9.530 -20.930 1.00 24.38 C ATOM 1578 CG GLN E 172 14.554 -8.163 -20.871 1.00 32.89 C ATOM 1579 CD GLN E 172 15.163 -7.153 -21.834 1.00 36.42 C ATOM 1580 OE1 GLN E 172 16.365 -7.173 -22.093 1.00 40.25 O ATOM 1581 NE2 GLN E 172 14.331 -6.269 -22.371 1.00 34.28 N ATOM 1582 HE22 GLN E 172 13.321 -6.288 -22.124 1.00 0.00 H ATOM 1583 HE21 GLN E 172 14.689 -5.557 -23.039 1.00 0.00 H ATOM 1584 H GLN E 172 13.025 -10.455 -22.057 1.00 0.00 H ATOM 1585 N PRO E 173 17.062 -11.740 -22.244 1.00 31.96 N ATOM 1586 CA PRO E 173 17.704 -13.055 -22.132 1.00 32.99 C ATOM 1587 C PRO E 173 17.221 -13.880 -20.937 1.00 26.04 C ATOM 1588 O PRO E 173 17.002 -15.080 -21.088 1.00 25.67 O ATOM 1589 CB PRO E 173 19.186 -12.698 -21.986 1.00 39.05 C ATOM 1590 CG PRO E 173 19.324 -11.444 -22.786 1.00 35.06 C ATOM 1591 CD PRO E 173 18.038 -10.681 -22.565 1.00 34.97 C ATOM 1592 N ALA E 174 17.038 -13.241 -19.783 1.00 30.09 N ATOM 1593 CA ALA E 174 16.573 -13.929 -18.577 1.00 29.20 C ATOM 1594 C ALA E 174 15.245 -14.658 -18.785 1.00 28.85 C ATOM 1595 O ALA E 174 15.002 -15.700 -18.182 1.00 33.25 O ATOM 1596 CB ALA E 174 16.441 -12.946 -17.426 1.00 29.14 C ATOM 1597 H ALA E 174 17.232 -12.220 -19.737 1.00 0.00 H ATOM 1598 N GLY E 175 14.389 -14.117 -19.644 1.00 29.91 N ATOM 1599 CA GLY E 175 13.062 -14.682 -19.811 1.00 25.70 C ATOM 1600 C GLY E 175 12.817 -15.452 -21.095 1.00 26.00 C ATOM 1601 O GLY E 175 11.667 -15.669 -21.460 1.00 23.94 O ATOM 1602 H GLY E 175 14.671 -13.284 -20.200 1.00 0.00 H ATOM 1603 N LYS E 176 13.877 -15.875 -21.779 1.00 26.82 N ATOM 1604 CA LYS E 176 13.714 -16.531 -23.075 1.00 25.93 C ATOM 1605 C LYS E 176 12.884 -17.810 -22.988 1.00 28.97 C ATOM 1606 O LYS E 176 12.121 -18.127 -23.902 1.00 26.73 O ATOM 1607 CB LYS E 176 15.069 -16.857 -23.698 1.00 31.84 C ATOM 1608 CG LYS E 176 14.961 -17.360 -25.128 1.00 30.87 C ATOM 1609 CD LYS E 176 16.311 -17.312 -25.828 1.00 47.61 C ATOM 1610 CE LYS E 176 16.186 -17.679 -27.301 1.00 58.03 C ATOM 1611 NZ LYS E 176 15.242 -16.783 -28.035 1.00 59.36 N ATOM 1612 HZ1 LYS E 176 14.297 -16.851 -27.606 1.00 0.00 H ATOM 1613 HZ2 LYS E 176 15.581 -15.802 -27.976 1.00 0.00 H ATOM 1614 HZ3 LYS E 176 15.193 -17.075 -29.032 1.00 0.00 H ATOM 1615 H LYS E 176 14.831 -15.738 -21.388 1.00 0.00 H ATOM 1616 N GLU E 177 13.022 -18.531 -21.881 1.00 27.64 N ATOM 1617 CA GLU E 177 12.323 -19.797 -21.724 1.00 29.38 C ATOM 1618 C GLU E 177 11.043 -19.625 -20.913 1.00 31.96 C ATOM 1619 O GLU E 177 10.571 -20.566 -20.276 1.00 24.62 O ATOM 1620 CB GLU E 177 13.246 -20.827 -21.067 1.00 30.60 C ATOM 1621 CG GLU E 177 14.566 -21.032 -21.812 1.00 37.56 C ATOM 1622 CD GLU E 177 14.370 -21.529 -23.239 1.00 41.90 C ATOM 1623 OE1 GLU E 177 15.087 -21.048 -24.144 1.00 46.61 O ATOM 1624 OE2 GLU E 177 13.499 -22.402 -23.453 1.00 41.07 O ATOM 1625 H GLU E 177 13.638 -18.186 -21.117 1.00 0.00 H ATOM 1626 N TYR E 178 10.487 -18.414 -20.940 1.00 30.66 N ATOM 1627 CA TYR E 178 9.241 -18.133 -20.241 1.00 19.00 C ATOM 1628 C TYR E 178 8.236 -17.490 -21.188 1.00 26.21 C ATOM 1629 O TYR E 178 8.612 -16.940 -22.226 1.00 25.59 O ATOM 1630 CB TYR E 178 9.500 -17.245 -19.025 1.00 19.32 C ATOM 1631 CG TYR E 178 10.291 -17.987 -17.985 1.00 25.61 C ATOM 1632 CD1 TYR E 178 9.651 -18.689 -16.974 1.00 21.10 C ATOM 1633 CD2 TYR E 178 11.678 -18.053 -18.063 1.00 25.09 C ATOM 1634 CE1 TYR E 178 10.367 -19.402 -16.049 1.00 30.64 C ATOM 1635 CE2 TYR E 178 12.407 -18.764 -17.139 1.00 28.84 C ATOM 1636 CZ TYR E 178 11.749 -19.436 -16.136 1.00 31.51 C ATOM 1637 OH TYR E 178 12.475 -20.147 -15.213 1.00 41.75 O ATOM 1638 HH TYR E 178 11.858 -20.569 -14.564 1.00 0.00 H ATOM 1639 H TYR E 178 10.954 -17.652 -21.473 1.00 0.00 H ATOM 1640 N ALA E 179 6.956 -17.579 -20.839 1.00 20.76 N ATOM 1641 CA ALA E 179 5.907 -17.047 -21.706 1.00 18.31 C ATOM 1642 C ALA E 179 4.715 -16.612 -20.885 1.00 19.93 C ATOM 1643 O ALA E 179 4.592 -16.977 -19.720 1.00 20.64 O ATOM 1644 CB ALA E 179 5.474 -18.087 -22.737 1.00 18.45 C ATOM 1645 H ALA E 179 6.699 -18.032 -19.939 1.00 0.00 H ATOM 1646 N PHE E 180 3.833 -15.834 -21.501 1.00 19.63 N ATOM 1647 CA PHE E 180 2.559 -15.534 -20.873 1.00 18.32 C ATOM 1648 C PHE E 180 1.784 -16.828 -20.721 1.00 18.53 C ATOM 1649 O PHE E 180 1.792 -17.670 -21.617 1.00 17.44 O ATOM 1650 CB PHE E 180 1.765 -14.518 -21.682 1.00 15.64 C ATOM 1651 CG PHE E 180 2.288 -13.112 -21.564 1.00 14.26 C ATOM 1652 CD1 PHE E 180 2.362 -12.491 -20.320 1.00 13.49 C ATOM 1653 CD2 PHE E 180 2.701 -12.410 -22.692 1.00 12.41 C ATOM 1654 CE1 PHE E 180 2.834 -11.199 -20.200 1.00 13.66 C ATOM 1655 CE2 PHE E 180 3.161 -11.111 -22.580 1.00 14.37 C ATOM 1656 CZ PHE E 180 3.232 -10.506 -21.334 1.00 14.80 C ATOM 1657 H PHE E 180 4.056 -15.438 -22.437 1.00 0.00 H ATOM 1658 N ALA E 181 1.158 -16.999 -19.563 1.00 16.81 N ATOM 1659 CA ALA E 181 0.334 -18.179 -19.306 1.00 20.26 C ATOM 1660 C ALA E 181 -1.133 -17.770 -19.293 1.00 19.04 C ATOM 1661 O ALA E 181 -1.614 -17.182 -18.315 1.00 17.47 O ATOM 1662 CB ALA E 181 0.736 -18.839 -17.981 1.00 21.44 C ATOM 1663 H ALA E 181 1.256 -16.277 -18.821 1.00 0.00 H ATOM 1664 N GLY E 182 -1.835 -18.072 -20.389 1.00 15.52 N ATOM 1665 CA GLY E 182 -3.205 -17.648 -20.563 1.00 19.25 C ATOM 1666 C GLY E 182 -3.272 -16.198 -20.999 1.00 17.76 C ATOM 1667 O GLY E 182 -2.248 -15.512 -21.063 1.00 21.27 O ATOM 1668 H GLY E 182 -1.381 -18.630 -21.140 1.00 0.00 H ATOM 1669 N PRO E 183 -4.484 -15.727 -21.304 1.00 17.88 N ATOM 1670 CA PRO E 183 -4.760 -14.354 -21.732 1.00 18.93 C ATOM 1671 C PRO E 183 -4.704 -13.372 -20.563 1.00 15.35 C ATOM 1672 O PRO E 183 -4.610 -13.793 -19.403 1.00 20.90 O ATOM 1673 CB PRO E 183 -6.182 -14.450 -22.283 1.00 24.71 C ATOM 1674 CG PRO E 183 -6.814 -15.498 -21.420 1.00 29.42 C ATOM 1675 CD PRO E 183 -5.726 -16.507 -21.130 1.00 28.23 C ATOM 1676 N SER E 184 -4.793 -12.084 -20.860 1.00 19.29 N ATOM 1677 CA SER E 184 -4.816 -11.085 -19.802 1.00 20.05 C ATOM 1678 C SER E 184 -6.023 -11.306 -18.891 1.00 25.04 C ATOM 1679 O SER E 184 -7.058 -11.830 -19.313 1.00 19.69 O ATOM 1680 CB SER E 184 -4.827 -9.667 -20.386 1.00 27.18 C ATOM 1681 OG SER E 184 -6.017 -9.407 -21.115 1.00 31.78 O ATOM 1682 HG SER E 184 -5.987 -8.485 -21.475 1.00 0.00 H ATOM 1683 H SER E 184 -4.847 -11.785 -21.855 1.00 0.00 H ATOM 1684 N VAL E 185 -5.872 -10.924 -17.630 1.00 23.71 N ATOM 1685 CA VAL E 185 -6.942 -11.071 -16.657 1.00 27.70 C ATOM 1686 C VAL E 185 -7.847 -9.859 -16.670 1.00 30.05 C ATOM 1687 O VAL E 185 -7.393 -8.728 -16.492 1.00 27.33 O ATOM 1688 CB VAL E 185 -6.402 -11.261 -15.239 1.00 22.82 C ATOM 1689 CG1 VAL E 185 -7.561 -11.565 -14.274 1.00 18.67 C ATOM 1690 CG2 VAL E 185 -5.383 -12.364 -15.228 1.00 21.85 C ATOM 1691 H VAL E 185 -4.967 -10.509 -17.330 1.00 0.00 H ATOM 1692 N LYS E 186 -9.134 -10.107 -16.875 1.00 32.62 N ATOM 1693 CA LYS E 186 -10.112 -9.039 -16.939 1.00 28.42 C ATOM 1694 C LYS E 186 -10.764 -8.840 -15.585 1.00 24.10 C ATOM 1695 O LYS E 186 -11.312 -9.781 -15.009 1.00 29.90 O ATOM 1696 CB LYS E 186 -11.170 -9.349 -17.992 1.00 31.83 C ATOM 1697 CG LYS E 186 -10.602 -9.583 -19.381 1.00 32.48 C ATOM 1698 CD LYS E 186 -9.860 -8.348 -19.878 1.00 33.03 C ATOM 1699 H LYS E 186 -9.449 -11.091 -16.993 1.00 0.00 H ATOM 1700 N ASP E 187 -10.689 -7.613 -15.082 1.00 23.04 N ATOM 1701 CA ASP E 187 -11.363 -7.226 -13.845 1.00 25.96 C ATOM 1702 C ASP E 187 -11.233 -5.721 -13.667 1.00 26.17 C ATOM 1703 O ASP E 187 -10.243 -5.253 -13.098 1.00 19.72 O ATOM 1704 CB ASP E 187 -10.770 -7.947 -12.628 1.00 20.21 C ATOM 1705 CG ASP E 187 -11.651 -7.840 -11.400 1.00 35.52 C ATOM 1706 OD1 ASP E 187 -11.817 -6.712 -10.881 1.00 36.24 O ATOM 1707 OD2 ASP E 187 -12.177 -8.886 -10.953 1.00 40.43 O ATOM 1708 H ASP E 187 -10.128 -6.899 -15.589 1.00 0.00 H ATOM 1709 N LYS E 188 -12.222 -4.975 -14.159 1.00 24.53 N ATOM 1710 CA LYS E 188 -12.225 -3.511 -14.061 1.00 25.60 C ATOM 1711 C LYS E 188 -11.932 -3.029 -12.647 1.00 28.73 C ATOM 1712 O LYS E 188 -11.049 -2.180 -12.431 1.00 27.44 O ATOM 1713 CB LYS E 188 -13.581 -2.926 -14.489 1.00 28.86 C ATOM 1714 CG LYS E 188 -14.236 -3.554 -15.699 1.00 40.00 C ATOM 1715 CD LYS E 188 -15.514 -2.792 -16.059 1.00 42.02 C ATOM 1716 CE LYS E 188 -16.355 -3.553 -17.077 1.00 48.64 C ATOM 1717 NZ LYS E 188 -15.685 -3.689 -18.402 1.00 47.59 N ATOM 1718 HZ1 LYS E 188 -15.495 -2.744 -18.792 1.00 0.00 H ATOM 1719 HZ2 LYS E 188 -14.789 -4.203 -18.285 1.00 0.00 H ATOM 1720 HZ3 LYS E 188 -16.305 -4.215 -19.050 1.00 0.00 H ATOM 1721 H LYS E 188 -13.020 -5.448 -14.629 1.00 0.00 H ATOM 1722 N LYS E 189 -12.709 -3.566 -11.705 1.00 26.75 N ATOM 1723 CA LYS E 189 -12.651 -3.191 -10.297 1.00 26.81 C ATOM 1724 C LYS E 189 -11.224 -3.156 -9.780 1.00 23.97 C ATOM 1725 O LYS E 189 -10.751 -2.121 -9.302 1.00 20.49 O ATOM 1726 CB LYS E 189 -13.482 -4.167 -9.452 1.00 23.77 C ATOM 1727 CG LYS E 189 -13.632 -3.770 -7.991 1.00 30.75 C ATOM 1728 H LYS E 189 -13.395 -4.293 -11.991 1.00 0.00 H ATOM 1729 N TYR E 190 -10.537 -4.289 -9.898 1.00 18.38 N ATOM 1730 CA TYR E 190 -9.206 -4.442 -9.318 1.00 21.10 C ATOM 1731 C TYR E 190 -8.083 -3.719 -10.071 1.00 18.54 C ATOM 1732 O TYR E 190 -7.167 -3.177 -9.453 1.00 13.25 O ATOM 1733 CB TYR E 190 -8.857 -5.935 -9.210 1.00 18.16 C ATOM 1734 CG TYR E 190 -9.487 -6.596 -8.014 1.00 18.40 C ATOM 1735 CD1 TYR E 190 -8.847 -6.600 -6.778 1.00 25.67 C ATOM 1736 CD2 TYR E 190 -10.729 -7.210 -8.109 1.00 27.81 C ATOM 1737 CE1 TYR E 190 -9.424 -7.200 -5.673 1.00 28.71 C ATOM 1738 CE2 TYR E 190 -11.318 -7.811 -7.008 1.00 31.11 C ATOM 1739 CZ TYR E 190 -10.659 -7.807 -5.794 1.00 35.11 C ATOM 1740 OH TYR E 190 -11.247 -8.400 -4.695 1.00 36.22 O ATOM 1741 HH TYR E 190 -10.647 -8.309 -3.912 1.00 0.00 H ATOM 1742 H TYR E 190 -10.959 -5.086 -10.416 1.00 0.00 H ATOM 1743 N PHE E 191 -8.135 -3.718 -11.396 1.00 19.07 N ATOM 1744 CA PHE E 191 -6.958 -3.308 -12.163 1.00 11.58 C ATOM 1745 C PHE E 191 -7.029 -1.884 -12.703 1.00 15.83 C ATOM 1746 O PHE E 191 -6.020 -1.341 -13.157 1.00 16.51 O ATOM 1747 CB PHE E 191 -6.733 -4.290 -13.298 1.00 18.63 C ATOM 1748 CG PHE E 191 -6.433 -5.676 -12.821 1.00 17.10 C ATOM 1749 CD1 PHE E 191 -5.510 -5.880 -11.809 1.00 15.53 C ATOM 1750 CD2 PHE E 191 -7.090 -6.768 -13.361 1.00 17.34 C ATOM 1751 CE1 PHE E 191 -5.218 -7.163 -11.362 1.00 18.18 C ATOM 1752 CE2 PHE E 191 -6.815 -8.050 -12.916 1.00 18.54 C ATOM 1753 CZ PHE E 191 -5.890 -8.248 -11.913 1.00 17.75 C ATOM 1754 H PHE E 191 -9.006 -4.006 -11.886 1.00 0.00 H ATOM 1755 N GLY E 192 -8.213 -1.290 -12.636 1.00 14.31 N ATOM 1756 CA GLY E 192 -8.418 0.104 -12.994 1.00 17.68 C ATOM 1757 C GLY E 192 -8.282 0.451 -14.464 1.00 20.27 C ATOM 1758 O GLY E 192 -8.263 -0.421 -15.330 1.00 21.39 O ATOM 1759 H GLY E 192 -9.031 -1.846 -12.313 1.00 0.00 H ATOM 1760 N ASP E 193 -8.165 1.743 -14.749 1.00 16.15 N ATOM 1761 CA ASP E 193 -8.204 2.201 -16.131 1.00 26.39 C ATOM 1762 C ASP E 193 -6.917 2.928 -16.544 1.00 19.59 C ATOM 1763 O ASP E 193 -6.877 4.160 -16.619 1.00 15.81 O ATOM 1764 CB ASP E 193 -9.422 3.106 -16.341 1.00 34.16 C ATOM 1765 CG ASP E 193 -9.746 3.318 -17.810 1.00 33.63 C ATOM 1766 OD1 ASP E 193 -9.288 2.506 -18.642 1.00 28.53 O ATOM 1767 OD2 ASP E 193 -10.455 4.294 -18.123 1.00 36.38 O ATOM 1768 H ASP E 193 -8.045 2.433 -13.980 1.00 0.00 H ATOM 1769 N GLY E 194 -5.873 2.152 -16.823 1.00 17.90 N ATOM 1770 CA GLY E 194 -4.583 2.724 -17.180 1.00 14.74 C ATOM 1771 C GLY E 194 -3.881 3.274 -15.943 1.00 18.26 C ATOM 1772 O GLY E 194 -4.394 3.131 -14.818 1.00 14.90 O ATOM 1773 H GLY E 194 -5.980 1.118 -16.785 1.00 0.00 H ATOM 1774 N THR E 195 -2.711 3.883 -16.147 1.00 11.95 N ATOM 1775 CA THR E 195 -1.907 4.435 -15.056 1.00 6.31 C ATOM 1776 C THR E 195 -1.921 5.944 -15.124 1.00 9.20 C ATOM 1777 O THR E 195 -2.219 6.512 -16.167 1.00 17.40 O ATOM 1778 CB THR E 195 -0.428 3.963 -15.106 1.00 9.99 C ATOM 1779 OG1 THR E 195 0.235 4.574 -16.227 1.00 13.67 O ATOM 1780 CG2 THR E 195 -0.344 2.452 -15.247 1.00 11.15 C ATOM 1781 HG1 THR E 195 1.177 4.272 -16.257 1.00 0.00 H ATOM 1782 H THR E 195 -2.356 3.969 -17.121 1.00 0.00 H ATOM 1783 N GLY E 196 -1.600 6.596 -14.012 1.00 13.40 N ATOM 1784 CA GLY E 196 -1.569 8.048 -13.976 1.00 11.28 C ATOM 1785 C GLY E 196 -0.612 8.556 -12.929 1.00 14.54 C ATOM 1786 O GLY E 196 -0.057 7.772 -12.175 1.00 11.09 O ATOM 1787 H GLY E 196 -1.367 6.058 -13.153 1.00 0.00 H ATOM 1788 N VAL E 197 -0.393 9.870 -12.897 1.00 13.03 N ATOM 1789 CA VAL E 197 0.362 10.474 -11.813 1.00 13.24 C ATOM 1790 C VAL E 197 -0.480 10.491 -10.537 1.00 11.48 C ATOM 1791 O VAL E 197 -1.545 11.121 -10.506 1.00 13.78 O ATOM 1792 CB VAL E 197 0.783 11.926 -12.124 1.00 14.74 C ATOM 1793 CG1 VAL E 197 1.666 12.474 -10.977 1.00 7.51 C ATOM 1794 CG2 VAL E 197 1.489 12.012 -13.466 1.00 11.13 C ATOM 1795 H VAL E 197 -0.768 10.471 -13.658 1.00 0.00 H ATOM 1796 N GLY E 198 0.004 9.817 -9.493 1.00 8.70 N ATOM 1797 CA GLY E 198 -0.635 9.859 -8.181 1.00 13.93 C ATOM 1798 C GLY E 198 -0.311 11.160 -7.454 1.00 15.94 C ATOM 1799 O GLY E 198 0.850 11.568 -7.401 1.00 14.38 O ATOM 1800 H GLY E 198 0.863 9.244 -9.617 1.00 0.00 H ATOM 1801 N LEU E 199 -1.341 11.791 -6.890 1.00 9.95 N ATOM 1802 CA LEU E 199 -1.268 13.128 -6.289 1.00 11.94 C ATOM 1803 C LEU E 199 -2.186 13.218 -5.073 1.00 14.15 C ATOM 1804 O LEU E 199 -3.182 12.486 -4.985 1.00 13.06 O ATOM 1805 CB LEU E 199 -1.685 14.215 -7.290 1.00 10.99 C ATOM 1806 CG LEU E 199 -0.897 14.276 -8.598 1.00 14.10 C ATOM 1807 CD1 LEU E 199 -1.698 15.033 -9.656 1.00 15.62 C ATOM 1808 CD2 LEU E 199 0.470 14.924 -8.360 1.00 8.77 C ATOM 1809 H LEU E 199 -2.259 11.302 -6.875 1.00 0.00 H ATOM 1810 N ARG E 200 -1.866 14.123 -4.152 1.00 13.53 N ATOM 1811 CA ARG E 200 -2.747 14.368 -3.017 1.00 16.53 C ATOM 1812 C ARG E 200 -4.021 15.034 -3.534 1.00 16.51 C ATOM 1813 O ARG E 200 -3.964 15.806 -4.487 1.00 14.69 O ATOM 1814 CB ARG E 200 -2.057 15.241 -1.960 1.00 16.43 C ATOM 1815 CG ARG E 200 -1.018 14.500 -1.123 1.00 11.45 C ATOM 1816 CD ARG E 200 -0.404 15.401 -0.045 1.00 11.88 C ATOM 1817 NE ARG E 200 0.375 16.492 -0.630 1.00 15.56 N ATOM 1818 CZ ARG E 200 1.643 16.372 -1.015 1.00 15.84 C ATOM 1819 NH1 ARG E 200 2.260 15.205 -0.895 1.00 11.66 N ATOM 1820 NH2 ARG E 200 2.286 17.407 -1.542 1.00 12.71 N ATOM 1821 HE ARG E 200 -0.089 17.415 -0.752 1.00 0.00 H ATOM 1822 HH12 ARG E 200 3.251 15.107 -1.195 1.00 0.00 H ATOM 1823 HH11 ARG E 200 1.753 14.387 -0.501 1.00 0.00 H ATOM 1824 HH22 ARG E 200 3.277 17.306 -1.841 1.00 0.00 H ATOM 1825 HH21 ARG E 200 1.799 18.319 -1.656 1.00 0.00 H ATOM 1826 H ARG E 200 -0.980 14.660 -4.243 1.00 0.00 H ATOM 1827 N LYS E 201 -5.165 14.739 -2.912 1.00 11.40 N ATOM 1828 CA LYS E 201 -6.448 15.241 -3.413 1.00 12.12 C ATOM 1829 C LYS E 201 -6.543 16.757 -3.401 1.00 17.94 C ATOM 1830 O LYS E 201 -7.208 17.357 -4.255 1.00 16.57 O ATOM 1831 CB LYS E 201 -7.611 14.677 -2.591 1.00 12.11 C ATOM 1832 CG LYS E 201 -7.894 13.199 -2.796 1.00 18.40 C ATOM 1833 CD LYS E 201 -9.129 12.811 -1.990 1.00 21.28 C ATOM 1834 CE LYS E 201 -9.533 11.372 -2.235 1.00 24.31 C ATOM 1835 NZ LYS E 201 -10.653 10.953 -1.325 1.00 22.26 N ATOM 1836 HZ1 LYS E 201 -10.347 11.046 -0.335 1.00 0.00 H ATOM 1837 HZ2 LYS E 201 -11.480 11.561 -1.492 1.00 0.00 H ATOM 1838 HZ3 LYS E 201 -10.904 9.963 -1.520 1.00 0.00 H ATOM 1839 H LYS E 201 -5.146 14.144 -2.059 1.00 0.00 H ATOM 1840 N ASP E 202 -5.907 17.387 -2.422 1.00 20.58 N ATOM 1841 CA ASP E 202 -6.019 18.842 -2.302 1.00 21.16 C ATOM 1842 C ASP E 202 -5.049 19.600 -3.215 1.00 18.87 C ATOM 1843 O ASP E 202 -5.098 20.825 -3.295 1.00 20.22 O ATOM 1844 CB ASP E 202 -5.810 19.278 -0.852 1.00 22.65 C ATOM 1845 CG ASP E 202 -4.585 18.654 -0.224 1.00 19.33 C ATOM 1846 OD1 ASP E 202 -4.588 17.421 -0.037 1.00 22.48 O ATOM 1847 OD2 ASP E 202 -3.639 19.400 0.110 1.00 20.00 O ATOM 1848 H ASP E 202 -5.331 16.850 -1.743 1.00 0.00 H ATOM 1849 N ASP E 203 -4.172 18.886 -3.910 1.00 18.07 N ATOM 1850 CA ASP E 203 -3.269 19.555 -4.839 1.00 16.26 C ATOM 1851 C ASP E 203 -3.900 19.689 -6.223 1.00 15.79 C ATOM 1852 O ASP E 203 -3.477 19.045 -7.189 1.00 16.27 O ATOM 1853 CB ASP E 203 -1.929 18.827 -4.929 1.00 17.32 C ATOM 1854 CG ASP E 203 -1.027 19.126 -3.745 1.00 24.78 C ATOM 1855 OD1 ASP E 203 -1.322 20.085 -2.995 1.00 21.53 O ATOM 1856 OD2 ASP E 203 -0.026 18.406 -3.565 1.00 17.53 O ATOM 1857 H ASP E 203 -4.129 17.854 -3.792 1.00 0.00 H ATOM 1858 N THR E 204 -4.897 20.559 -6.318 1.00 17.45 N ATOM 1859 CA THR E 204 -5.638 20.716 -7.560 1.00 19.33 C ATOM 1860 C THR E 204 -4.807 21.441 -8.611 1.00 17.40 C ATOM 1861 O THR E 204 -4.851 21.088 -9.792 1.00 18.95 O ATOM 1862 CB THR E 204 -6.960 21.484 -7.337 1.00 19.38 C ATOM 1863 OG1 THR E 204 -6.671 22.820 -6.916 1.00 38.87 O ATOM 1864 CG2 THR E 204 -7.785 20.802 -6.271 1.00 12.23 C ATOM 1865 HG1 THR E 204 -6.137 23.277 -7.614 1.00 0.00 H ATOM 1866 H THR E 204 -5.153 21.137 -5.492 1.00 0.00 H ATOM 1867 N GLU E 205 -4.071 22.467 -8.189 1.00 16.90 N ATOM 1868 CA GLU E 205 -3.218 23.212 -9.117 1.00 19.26 C ATOM 1869 C GLU E 205 -2.112 22.315 -9.715 1.00 17.35 C ATOM 1870 O GLU E 205 -1.815 22.369 -10.921 1.00 18.37 O ATOM 1871 CB GLU E 205 -2.612 24.430 -8.418 1.00 25.29 C ATOM 1872 CG GLU E 205 -1.609 25.204 -9.270 1.00 37.60 C ATOM 1873 CD GLU E 205 -1.194 26.537 -8.654 1.00 45.46 C ATOM 1874 OE1 GLU E 205 -1.726 26.894 -7.583 1.00 44.95 O ATOM 1875 OE2 GLU E 205 -0.335 27.228 -9.248 1.00 47.15 O ATOM 1876 H GLU E 205 -4.102 22.743 -7.187 1.00 0.00 H ATOM 1877 N LEU E 206 -1.514 21.469 -8.888 1.00 16.85 N ATOM 1878 CA LEU E 206 -0.499 20.555 -9.403 1.00 14.68 C ATOM 1879 C LEU E 206 -1.109 19.568 -10.392 1.00 14.59 C ATOM 1880 O LEU E 206 -0.523 19.326 -11.442 1.00 13.98 O ATOM 1881 CB LEU E 206 0.206 19.812 -8.263 1.00 19.58 C ATOM 1882 CG LEU E 206 1.365 18.871 -8.621 1.00 12.00 C ATOM 1883 CD1 LEU E 206 2.452 19.606 -9.374 1.00 17.25 C ATOM 1884 CD2 LEU E 206 1.919 18.257 -7.362 1.00 10.01 C ATOM 1885 H LEU E 206 -1.766 21.457 -7.879 1.00 0.00 H ATOM 1886 N LYS E 207 -2.285 19.015 -10.086 1.00 15.73 N ATOM 1887 CA LYS E 207 -2.933 18.094 -11.027 1.00 12.04 C ATOM 1888 C LYS E 207 -3.203 18.770 -12.377 1.00 17.15 C ATOM 1889 O LYS E 207 -2.935 18.196 -13.439 1.00 14.95 O ATOM 1890 CB LYS E 207 -4.250 17.547 -10.446 1.00 16.66 C ATOM 1891 CG LYS E 207 -5.125 16.829 -11.468 1.00 18.00 C ATOM 1892 CD LYS E 207 -6.398 16.256 -10.852 1.00 20.46 C ATOM 1893 CE LYS E 207 -7.385 15.806 -11.930 1.00 18.48 C ATOM 1894 NZ LYS E 207 -6.789 14.884 -12.965 1.00 13.81 N ATOM 1895 HZ1 LYS E 207 -6.006 15.368 -13.449 1.00 0.00 H ATOM 1896 HZ2 LYS E 207 -6.432 14.026 -12.499 1.00 0.00 H ATOM 1897 HZ3 LYS E 207 -7.519 14.625 -13.658 1.00 0.00 H ATOM 1898 H LYS E 207 -2.743 19.237 -9.179 1.00 0.00 H ATOM 1899 N ALA E 208 -3.731 19.991 -12.329 1.00 16.52 N ATOM 1900 CA ALA E 208 -4.054 20.734 -13.542 1.00 13.95 C ATOM 1901 C ALA E 208 -2.815 20.952 -14.409 1.00 18.03 C ATOM 1902 O ALA E 208 -2.868 20.823 -15.633 1.00 18.87 O ATOM 1903 CB ALA E 208 -4.699 22.066 -13.179 1.00 15.14 C ATOM 1904 H ALA E 208 -3.918 20.426 -11.403 1.00 0.00 H ATOM 1905 N ALA E 209 -1.691 21.261 -13.766 1.00 16.20 N ATOM 1906 CA ALA E 209 -0.440 21.492 -14.472 1.00 20.83 C ATOM 1907 C ALA E 209 0.102 20.196 -15.092 1.00 21.26 C ATOM 1908 O ALA E 209 0.603 20.201 -16.222 1.00 18.89 O ATOM 1909 CB ALA E 209 0.593 22.120 -13.526 1.00 15.65 C ATOM 1910 H ALA E 209 -1.708 21.340 -12.729 1.00 0.00 H ATOM 1911 N PHE E 210 0.005 19.086 -14.366 1.00 16.77 N ATOM 1912 CA PHE E 210 0.384 17.804 -14.964 1.00 18.05 C ATOM 1913 C PHE E 210 -0.518 17.519 -16.162 1.00 17.38 C ATOM 1914 O PHE E 210 -0.034 17.142 -17.233 1.00 18.28 O ATOM 1915 CB PHE E 210 0.291 16.650 -13.960 1.00 13.76 C ATOM 1916 CG PHE E 210 1.562 16.404 -13.181 1.00 14.58 C ATOM 1917 CD1 PHE E 210 2.723 15.976 -13.815 1.00 15.97 C ATOM 1918 CD2 PHE E 210 1.588 16.586 -11.802 1.00 15.06 C ATOM 1919 CE1 PHE E 210 3.893 15.741 -13.089 1.00 14.06 C ATOM 1920 CE2 PHE E 210 2.751 16.351 -11.072 1.00 12.62 C ATOM 1921 CZ PHE E 210 3.913 15.936 -11.723 1.00 16.80 C ATOM 1922 H PHE E 210 -0.336 19.128 -13.384 1.00 0.00 H ATOM 1923 N ASP E 211 -1.825 17.701 -15.972 1.00 16.40 N ATOM 1924 CA ASP E 211 -2.806 17.394 -17.015 1.00 15.17 C ATOM 1925 C ASP E 211 -2.578 18.247 -18.261 1.00 17.91 C ATOM 1926 O ASP E 211 -2.704 17.769 -19.387 1.00 21.05 O ATOM 1927 CB ASP E 211 -4.232 17.598 -16.494 1.00 14.45 C ATOM 1928 CG ASP E 211 -4.674 16.493 -15.557 1.00 19.82 C ATOM 1929 OD1 ASP E 211 -4.038 15.416 -15.575 1.00 21.07 O ATOM 1930 OD2 ASP E 211 -5.659 16.703 -14.812 1.00 16.71 O ATOM 1931 H ASP E 211 -2.157 18.071 -15.058 1.00 0.00 H ATOM 1932 N LYS E 212 -2.243 19.513 -18.048 1.00 17.99 N ATOM 1933 CA LYS E 212 -1.937 20.424 -19.146 1.00 22.00 C ATOM 1934 C LYS E 212 -0.681 19.989 -19.913 1.00 21.16 C ATOM 1935 O LYS E 212 -0.684 19.949 -21.152 1.00 16.38 O ATOM 1936 CB LYS E 212 -1.767 21.850 -18.609 1.00 24.75 C ATOM 1937 CG LYS E 212 -1.541 22.924 -19.664 1.00 23.60 C ATOM 1938 CD LYS E 212 -1.574 24.305 -19.008 1.00 23.90 C ATOM 1939 CE LYS E 212 -1.448 25.428 -20.019 1.00 26.62 C ATOM 1940 NZ LYS E 212 -0.076 25.495 -20.595 1.00 27.56 N ATOM 1941 HZ1 LYS E 212 0.611 25.660 -19.832 1.00 0.00 H ATOM 1942 HZ2 LYS E 212 0.143 24.597 -21.072 1.00 0.00 H ATOM 1943 HZ3 LYS E 212 -0.027 26.274 -21.282 1.00 0.00 H ATOM 1944 H LYS E 212 -2.197 19.866 -17.071 1.00 0.00 H ATOM 1945 N ALA E 213 0.386 19.660 -19.183 1.00 14.09 N ATOM 1946 CA ALA E 213 1.636 19.261 -19.821 1.00 17.96 C ATOM 1947 C ALA E 213 1.428 17.973 -20.610 1.00 19.55 C ATOM 1948 O ALA E 213 1.919 17.839 -21.730 1.00 16.21 O ATOM 1949 CB ALA E 213 2.750 19.083 -18.785 1.00 12.75 C ATOM 1950 H ALA E 213 0.326 19.688 -18.145 1.00 0.00 H ATOM 1951 N LEU E 214 0.676 17.038 -20.027 1.00 16.42 N ATOM 1952 CA LEU E 214 0.433 15.754 -20.678 1.00 11.40 C ATOM 1953 C LEU E 214 -0.306 15.933 -21.995 1.00 13.18 C ATOM 1954 O LEU E 214 0.115 15.401 -23.027 1.00 15.16 O ATOM 1955 CB LEU E 214 -0.351 14.825 -19.757 1.00 15.43 C ATOM 1956 CG LEU E 214 -0.711 13.453 -20.328 1.00 13.03 C ATOM 1957 CD1 LEU E 214 0.558 12.699 -20.711 1.00 21.02 C ATOM 1958 CD2 LEU E 214 -1.510 12.672 -19.292 1.00 14.37 C ATOM 1959 H LEU E 214 0.256 17.227 -19.094 1.00 0.00 H ATOM 1960 N THR E 215 -1.417 16.665 -21.962 1.00 12.76 N ATOM 1961 CA THR E 215 -2.178 16.916 -23.182 1.00 16.99 C ATOM 1962 C THR E 215 -1.295 17.551 -24.262 1.00 19.98 C ATOM 1963 O THR E 215 -1.331 17.144 -25.419 1.00 22.02 O ATOM 1964 CB THR E 215 -3.380 17.828 -22.931 1.00 22.52 C ATOM 1965 OG1 THR E 215 -4.228 17.229 -21.949 1.00 36.78 O ATOM 1966 CG2 THR E 215 -4.168 18.008 -24.218 1.00 23.62 C ATOM 1967 HG1 THR E 215 -3.721 17.107 -21.107 1.00 0.00 H ATOM 1968 H THR E 215 -1.746 17.062 -21.059 1.00 0.00 H ATOM 1969 N GLU E 216 -0.488 18.533 -23.878 1.00 16.46 N ATOM 1970 CA GLU E 216 0.377 19.212 -24.855 1.00 20.16 C ATOM 1971 C GLU E 216 1.439 18.286 -25.474 1.00 17.36 C ATOM 1972 O GLU E 216 1.653 18.311 -26.685 1.00 17.39 O ATOM 1973 CB GLU E 216 1.044 20.428 -24.209 1.00 21.01 C ATOM 1974 CG GLU E 216 0.029 21.534 -23.905 1.00 21.96 C ATOM 1975 CD GLU E 216 0.551 22.611 -22.974 1.00 28.33 C ATOM 1976 OE1 GLU E 216 1.713 22.518 -22.525 1.00 29.76 O ATOM 1977 OE2 GLU E 216 -0.223 23.550 -22.687 1.00 29.61 O ATOM 1978 H GLU E 216 -0.467 18.824 -22.880 1.00 0.00 H ATOM 1979 N LEU E 217 2.100 17.465 -24.662 1.00 15.19 N ATOM 1980 CA LEU E 217 3.128 16.597 -25.211 1.00 16.44 C ATOM 1981 C LEU E 217 2.474 15.447 -25.985 1.00 15.94 C ATOM 1982 O LEU E 217 3.083 14.872 -26.882 1.00 15.33 O ATOM 1983 CB LEU E 217 4.070 16.089 -24.105 1.00 16.15 C ATOM 1984 CG LEU E 217 3.594 15.043 -23.092 1.00 21.72 C ATOM 1985 CD1 LEU E 217 3.940 13.626 -23.562 1.00 17.16 C ATOM 1986 CD2 LEU E 217 4.207 15.307 -21.727 1.00 15.05 C ATOM 1987 H LEU E 217 1.883 17.445 -23.645 1.00 0.00 H ATOM 1988 N ARG E 218 1.222 15.116 -25.674 1.00 15.74 N ATOM 1989 CA ARG E 218 0.529 14.145 -26.519 1.00 14.46 C ATOM 1990 C ARG E 218 0.197 14.788 -27.874 1.00 16.49 C ATOM 1991 O ARG E 218 0.433 14.197 -28.933 1.00 18.14 O ATOM 1992 CB ARG E 218 -0.734 13.608 -25.829 1.00 19.03 C ATOM 1993 CG ARG E 218 -0.421 12.556 -24.773 1.00 22.45 C ATOM 1994 CD ARG E 218 -1.658 11.838 -24.249 1.00 20.94 C ATOM 1995 NE ARG E 218 -2.491 11.287 -25.315 1.00 23.13 N ATOM 1996 CZ ARG E 218 -2.154 10.258 -26.089 1.00 32.86 C ATOM 1997 NH1 ARG E 218 -0.980 9.645 -25.939 1.00 26.27 N ATOM 1998 NH2 ARG E 218 -2.992 9.845 -27.031 1.00 35.51 N ATOM 1999 HE ARG E 218 -3.416 11.732 -25.482 1.00 0.00 H ATOM 2000 HH12 ARG E 218 -0.731 8.842 -26.551 1.00 0.00 H ATOM 2001 HH11 ARG E 218 -0.313 9.969 -25.210 1.00 0.00 H ATOM 2002 HH22 ARG E 218 -2.735 9.042 -27.639 1.00 0.00 H ATOM 2003 HH21 ARG E 218 -3.906 10.325 -27.161 1.00 0.00 H ATOM 2004 H ARG E 218 0.749 15.538 -24.850 1.00 0.00 H ATOM 2005 N GLN E 219 -0.317 16.013 -27.817 1.00 17.75 N ATOM 2006 CA GLN E 219 -0.800 16.725 -29.003 1.00 20.96 C ATOM 2007 C GLN E 219 0.266 17.007 -30.049 1.00 17.65 C ATOM 2008 O GLN E 219 -0.008 16.931 -31.244 1.00 21.23 O ATOM 2009 CB GLN E 219 -1.447 18.051 -28.594 1.00 23.71 C ATOM 2010 CG GLN E 219 -2.885 17.900 -28.142 1.00 34.36 C ATOM 2011 CD GLN E 219 -3.603 19.226 -28.009 1.00 45.58 C ATOM 2012 OE1 GLN E 219 -3.995 19.619 -26.913 1.00 41.27 O ATOM 2013 NE2 GLN E 219 -3.785 19.921 -29.132 1.00 51.98 N ATOM 2014 HE22 GLN E 219 -3.435 19.547 -30.037 1.00 0.00 H ATOM 2015 HE21 GLN E 219 -4.277 20.837 -29.103 1.00 0.00 H ATOM 2016 H GLN E 219 -0.379 16.485 -26.892 1.00 0.00 H ATOM 2017 N ASP E 220 1.471 17.362 -29.617 1.00 15.31 N ATOM 2018 CA ASP E 220 2.500 17.740 -30.580 1.00 18.26 C ATOM 2019 C ASP E 220 3.306 16.545 -31.070 1.00 17.10 C ATOM 2020 O ASP E 220 4.244 16.708 -31.844 1.00 20.17 O ATOM 2021 CB ASP E 220 3.440 18.817 -30.001 1.00 20.07 C ATOM 2022 CG ASP E 220 4.341 18.307 -28.865 1.00 26.89 C ATOM 2023 OD1 ASP E 220 4.382 17.092 -28.578 1.00 28.06 O ATOM 2024 OD2 ASP E 220 5.042 19.152 -28.260 1.00 29.50 O ATOM 2025 H ASP E 220 1.680 17.370 -28.598 1.00 0.00 H ATOM 2026 N GLY E 221 2.951 15.347 -30.620 1.00 16.95 N ATOM 2027 CA GLY E 221 3.672 14.156 -31.036 1.00 21.76 C ATOM 2028 C GLY E 221 4.847 13.724 -30.163 1.00 18.14 C ATOM 2029 O GLY E 221 5.465 12.698 -30.432 1.00 17.35 O ATOM 2030 H GLY E 221 2.149 15.260 -29.963 1.00 0.00 H ATOM 2031 N THR E 222 5.163 14.481 -29.119 1.00 15.25 N ATOM 2032 CA THR E 222 6.282 14.100 -28.252 1.00 19.90 C ATOM 2033 C THR E 222 6.019 12.776 -27.517 1.00 21.37 C ATOM 2034 O THR E 222 6.935 11.969 -27.335 1.00 20.76 O ATOM 2035 CB THR E 222 6.614 15.199 -27.217 1.00 18.44 C ATOM 2036 OG1 THR E 222 6.931 16.413 -27.905 1.00 21.32 O ATOM 2037 CG2 THR E 222 7.819 14.798 -26.362 1.00 20.57 C ATOM 2038 HG1 THR E 222 6.155 16.694 -28.451 1.00 0.00 H ATOM 2039 H THR E 222 4.617 15.343 -28.917 1.00 0.00 H ATOM 2040 N TYR E 223 4.777 12.549 -27.105 1.00 14.41 N ATOM 2041 CA TYR E 223 4.432 11.286 -26.452 1.00 17.26 C ATOM 2042 C TYR E 223 4.852 10.095 -27.316 1.00 19.74 C ATOM 2043 O TYR E 223 5.533 9.181 -26.849 1.00 19.09 O ATOM 2044 CB TYR E 223 2.929 11.222 -26.161 1.00 15.52 C ATOM 2045 CG TYR E 223 2.485 9.966 -25.420 1.00 16.02 C ATOM 2046 CD1 TYR E 223 2.265 8.771 -26.103 1.00 16.11 C ATOM 2047 CD2 TYR E 223 2.268 9.986 -24.048 1.00 19.09 C ATOM 2048 CE1 TYR E 223 1.852 7.627 -25.440 1.00 18.16 C ATOM 2049 CE2 TYR E 223 1.862 8.850 -23.370 1.00 16.33 C ATOM 2050 CZ TYR E 223 1.646 7.674 -24.072 1.00 21.65 C ATOM 2051 OH TYR E 223 1.238 6.544 -23.409 1.00 16.65 O ATOM 2052 HH TYR E 223 0.372 6.719 -22.963 1.00 0.00 H ATOM 2053 H TYR E 223 4.045 13.274 -27.247 1.00 0.00 H ATOM 2054 N ASP E 224 4.454 10.123 -28.584 1.00 19.18 N ATOM 2055 CA ASP E 224 4.698 9.000 -29.476 1.00 24.10 C ATOM 2056 C ASP E 224 6.181 8.847 -29.797 1.00 20.02 C ATOM 2057 O ASP E 224 6.669 7.727 -29.966 1.00 24.20 O ATOM 2058 CB ASP E 224 3.876 9.150 -30.761 1.00 25.75 C ATOM 2059 CG ASP E 224 2.386 8.944 -30.519 1.00 26.42 C ATOM 2060 OD1 ASP E 224 2.045 8.097 -29.673 1.00 20.34 O ATOM 2061 OD2 ASP E 224 1.561 9.632 -31.152 1.00 30.53 O ATOM 2062 H ASP E 224 3.959 10.963 -28.945 1.00 0.00 H ATOM 2063 N LYS E 225 6.900 9.964 -29.865 1.00 17.06 N ATOM 2064 CA LYS E 225 8.335 9.909 -30.116 1.00 21.65 C ATOM 2065 C LYS E 225 9.055 9.228 -28.955 1.00 18.48 C ATOM 2066 O LYS E 225 9.954 8.416 -29.166 1.00 19.49 O ATOM 2067 CB LYS E 225 8.899 11.313 -30.343 1.00 24.52 C ATOM 2068 CG LYS E 225 10.336 11.325 -30.797 1.00 30.69 C ATOM 2069 H LYS E 225 6.434 10.885 -29.738 1.00 0.00 H ATOM 2070 N MET E 226 8.658 9.574 -27.730 1.00 16.33 N ATOM 2071 CA MET E 226 9.232 8.960 -26.533 1.00 17.53 C ATOM 2072 C MET E 226 8.849 7.472 -26.423 1.00 21.60 C ATOM 2073 O MET E 226 9.669 6.633 -26.051 1.00 18.48 O ATOM 2074 CB MET E 226 8.787 9.719 -25.278 1.00 16.01 C ATOM 2075 CG MET E 226 9.240 11.179 -25.243 1.00 17.98 C ATOM 2076 SD MET E 226 9.117 11.936 -23.597 1.00 21.48 S ATOM 2077 CE MET E 226 7.339 11.962 -23.364 1.00 29.33 C ATOM 2078 H MET E 226 7.921 10.300 -27.623 1.00 0.00 H ATOM 2079 N ALA E 227 7.606 7.153 -26.765 1.00 19.44 N ATOM 2080 CA ALA E 227 7.120 5.781 -26.655 1.00 19.25 C ATOM 2081 C ALA E 227 7.821 4.846 -27.630 1.00 21.30 C ATOM 2082 O ALA E 227 8.049 3.677 -27.312 1.00 18.03 O ATOM 2083 CB ALA E 227 5.628 5.728 -26.879 1.00 11.38 C ATOM 2084 H ALA E 227 6.967 7.894 -27.118 1.00 0.00 H ATOM 2085 N LYS E 228 8.163 5.356 -28.814 1.00 17.55 N ATOM 2086 CA LYS E 228 8.792 4.505 -29.831 1.00 20.22 C ATOM 2087 C LYS E 228 10.146 3.973 -29.363 1.00 23.04 C ATOM 2088 O LYS E 228 10.623 2.944 -29.859 1.00 23.40 O ATOM 2089 CB LYS E 228 8.957 5.262 -31.151 1.00 26.02 C ATOM 2090 CG LYS E 228 9.146 4.356 -32.369 1.00 30.40 C ATOM 2091 H LYS E 228 7.983 6.360 -29.017 1.00 0.00 H ATOM 2092 N LYS E 229 10.770 4.652 -28.403 1.00 22.44 N ATOM 2093 CA LYS E 229 12.043 4.150 -27.871 1.00 21.47 C ATOM 2094 C LYS E 229 11.860 2.786 -27.211 1.00 21.39 C ATOM 2095 O LYS E 229 12.796 1.986 -27.154 1.00 18.98 O ATOM 2096 CB LYS E 229 12.648 5.127 -26.862 1.00 24.36 C ATOM 2097 CG LYS E 229 13.089 6.454 -27.472 1.00 27.97 C ATOM 2098 H LYS E 229 10.358 5.532 -28.032 1.00 0.00 H ATOM 2099 N TYR E 230 10.646 2.535 -26.718 1.00 16.17 N ATOM 2100 CA TYR E 230 10.347 1.342 -25.924 1.00 21.42 C ATOM 2101 C TYR E 230 9.400 0.341 -26.594 1.00 20.19 C ATOM 2102 O TYR E 230 9.496 -0.864 -26.363 1.00 23.05 O ATOM 2103 CB TYR E 230 9.732 1.756 -24.579 1.00 22.29 C ATOM 2104 CG TYR E 230 10.611 2.683 -23.777 1.00 17.29 C ATOM 2105 CD1 TYR E 230 10.322 4.045 -23.686 1.00 15.47 C ATOM 2106 CD2 TYR E 230 11.749 2.201 -23.122 1.00 16.47 C ATOM 2107 CE1 TYR E 230 11.141 4.902 -22.947 1.00 16.48 C ATOM 2108 CE2 TYR E 230 12.564 3.045 -22.381 1.00 17.79 C ATOM 2109 CZ TYR E 230 12.259 4.397 -22.300 1.00 19.96 C ATOM 2110 OH TYR E 230 13.083 5.235 -21.573 1.00 20.13 O ATOM 2111 HH TYR E 230 12.731 6.159 -21.614 1.00 0.00 H ATOM 2112 H TYR E 230 9.881 3.214 -26.905 1.00 0.00 H ATOM 2113 N PHE E 231 8.481 0.844 -27.409 1.00 17.10 N ATOM 2114 CA PHE E 231 7.350 0.045 -27.859 1.00 16.26 C ATOM 2115 C PHE E 231 7.112 0.200 -29.355 1.00 25.20 C ATOM 2116 O PHE E 231 7.277 1.291 -29.901 1.00 25.60 O ATOM 2117 CB PHE E 231 6.072 0.451 -27.115 1.00 20.93 C ATOM 2118 CG PHE E 231 6.262 0.704 -25.640 1.00 17.63 C ATOM 2119 CD1 PHE E 231 6.557 -0.341 -24.770 1.00 14.02 C ATOM 2120 CD2 PHE E 231 6.111 1.982 -25.121 1.00 19.88 C ATOM 2121 CE1 PHE E 231 6.709 -0.113 -23.400 1.00 14.27 C ATOM 2122 CE2 PHE E 231 6.274 2.227 -23.756 1.00 20.02 C ATOM 2123 CZ PHE E 231 6.570 1.173 -22.894 1.00 23.38 C ATOM 2124 H PHE E 231 8.571 1.828 -27.733 1.00 0.00 H ATOM 2125 N ASP E 232 6.700 -0.880 -30.011 1.00 22.79 N ATOM 2126 CA ASP E 232 6.264 -0.791 -31.402 1.00 22.43 C ATOM 2127 C ASP E 232 4.738 -0.870 -31.507 1.00 28.36 C ATOM 2128 O ASP E 232 4.192 -1.144 -32.581 1.00 31.03 O ATOM 2129 CB ASP E 232 6.915 -1.888 -32.257 1.00 24.51 C ATOM 2130 CG ASP E 232 6.704 -3.289 -31.692 1.00 37.12 C ATOM 2131 OD1 ASP E 232 5.868 -3.470 -30.778 1.00 39.24 O ATOM 2132 OD2 ASP E 232 7.375 -4.221 -32.180 1.00 45.87 O ATOM 2133 H ASP E 232 6.688 -1.801 -29.527 1.00 0.00 H ATOM 2134 N PHE E 233 4.060 -0.635 -30.387 1.00 22.17 N ATOM 2135 CA PHE E 233 2.602 -0.655 -30.344 1.00 26.56 C ATOM 2136 C PHE E 233 2.059 0.594 -29.633 1.00 27.91 C ATOM 2137 O PHE E 233 2.822 1.401 -29.092 1.00 22.26 O ATOM 2138 CB PHE E 233 2.104 -1.935 -29.648 1.00 22.08 C ATOM 2139 CG PHE E 233 2.560 -2.059 -28.223 1.00 23.15 C ATOM 2140 CD1 PHE E 233 3.834 -2.542 -27.923 1.00 24.62 C ATOM 2141 CD2 PHE E 233 1.729 -1.676 -27.180 1.00 20.82 C ATOM 2142 CE1 PHE E 233 4.270 -2.648 -26.607 1.00 17.76 C ATOM 2143 CE2 PHE E 233 2.156 -1.781 -25.859 1.00 20.07 C ATOM 2144 CZ PHE E 233 3.435 -2.268 -25.577 1.00 27.29 C ATOM 2145 H PHE E 233 4.586 -0.430 -29.514 1.00 0.00 H ATOM 2146 N ASN E 234 0.738 0.744 -29.642 1.00 29.13 N ATOM 2147 CA ASN E 234 0.074 1.872 -28.993 1.00 26.28 C ATOM 2148 C ASN E 234 -0.022 1.618 -27.499 1.00 20.04 C ATOM 2149 O ASN E 234 -0.961 0.976 -27.032 1.00 17.97 O ATOM 2150 CB ASN E 234 -1.315 2.099 -29.612 1.00 31.75 C ATOM 2151 CG ASN E 234 -2.152 3.118 -28.851 1.00 34.39 C ATOM 2152 OD1 ASN E 234 -3.351 2.920 -28.659 1.00 38.94 O ATOM 2153 ND2 ASN E 234 -1.526 4.208 -28.415 1.00 29.21 N ATOM 2154 HD22 ASN E 234 -0.510 4.334 -28.600 1.00 0.00 H ATOM 2155 HD21 ASN E 234 -2.052 4.934 -27.889 1.00 0.00 H ATOM 2156 H ASN E 234 0.156 0.033 -30.129 1.00 0.00 H ATOM 2157 N VAL E 235 0.965 2.111 -26.757 1.00 18.37 N ATOM 2158 CA VAL E 235 1.068 1.824 -25.327 1.00 14.61 C ATOM 2159 C VAL E 235 -0.047 2.565 -24.585 1.00 21.21 C ATOM 2160 O VAL E 235 -0.561 2.102 -23.557 1.00 18.54 O ATOM 2161 CB VAL E 235 2.484 2.207 -24.789 1.00 23.52 C ATOM 2162 CG1 VAL E 235 2.676 3.714 -24.773 1.00 22.44 C ATOM 2163 CG2 VAL E 235 2.741 1.607 -23.419 1.00 16.49 C ATOM 2164 H VAL E 235 1.682 2.716 -27.205 1.00 0.00 H ATOM 2165 N TYR E 236 -0.473 3.687 -25.159 1.00 21.23 N ATOM 2166 CA TYR E 236 -1.462 4.540 -24.530 1.00 19.14 C ATOM 2167 C TYR E 236 -2.820 3.859 -24.403 1.00 17.16 C ATOM 2168 O TYR E 236 -3.487 3.978 -23.379 1.00 22.22 O ATOM 2169 CB TYR E 236 -1.597 5.831 -25.319 1.00 20.39 C ATOM 2170 CG TYR E 236 -2.559 6.814 -24.718 1.00 22.06 C ATOM 2171 CD1 TYR E 236 -2.180 7.624 -23.650 1.00 19.69 C ATOM 2172 CD2 TYR E 236 -3.844 6.948 -25.227 1.00 20.29 C ATOM 2173 CE1 TYR E 236 -3.067 8.539 -23.105 1.00 23.09 C ATOM 2174 CE2 TYR E 236 -4.736 7.848 -24.684 1.00 25.27 C ATOM 2175 CZ TYR E 236 -4.343 8.643 -23.630 1.00 26.04 C ATOM 2176 OH TYR E 236 -5.237 9.534 -23.101 1.00 22.30 O ATOM 2177 HH TYR E 236 -4.809 10.027 -22.357 1.00 0.00 H ATOM 2178 H TYR E 236 -0.086 3.960 -26.085 1.00 0.00 H ATOM 2179 N GLY E 237 -3.224 3.140 -25.438 1.00 21.87 N ATOM 2180 CA GLY E 237 -4.529 2.504 -25.442 1.00 27.63 C ATOM 2181 C GLY E 237 -5.594 3.415 -26.028 1.00 30.70 C ATOM 2182 O GLY E 237 -5.326 4.145 -26.984 1.00 28.07 O ATOM 2183 H GLY E 237 -2.597 3.029 -26.261 1.00 0.00 H ATOM 2184 N ASP E 238 -6.795 3.378 -25.451 1.00 27.96 N ATOM 2185 CA ASP E 238 -7.950 4.120 -25.974 1.00 36.51 C ATOM 2186 C ASP E 238 -8.127 5.500 -25.335 1.00 41.50 C ATOM 2187 O ASP E 238 -7.767 5.721 -24.178 1.00 39.23 O ATOM 2188 CB ASP E 238 -9.236 3.314 -25.768 1.00 42.42 C ATOM 2189 CG ASP E 238 -9.094 1.870 -26.198 1.00 47.70 C ATOM 2190 OD1 ASP E 238 -9.428 0.981 -25.387 1.00 50.77 O ATOM 2191 OD2 ASP E 238 -8.649 1.627 -27.342 1.00 46.69 O ATOM 2192 OXT ASP E 238 -8.658 6.430 -25.953 1.00 41.48 O ATOM 2193 H ASP E 238 -6.920 2.800 -24.595 1.00 0.00 H TER 2194 ASP E 238 HETATM 2195 O HOH 1 3.447 22.561 -23.938 1.00 30.36 O HETATM 2196 O HOH 2 8.763 -3.842 -8.424 1.00 19.78 O HETATM 2197 O HOH 3 22.568 7.595 -16.727 1.00 42.01 O HETATM 2198 O HOH 4 0.538 5.078 -27.721 1.00 20.65 O HETATM 2199 O HOH 5 -3.445 -24.715 -3.925 1.00 31.27 O HETATM 2200 O HOH 6 -12.569 -10.387 -4.474 1.00 34.68 O HETATM 2201 O HOH 7 3.858 -24.529 -15.029 1.00 30.12 O HETATM 2202 O HOH 8 1.353 11.318 -32.877 1.00 29.56 O HETATM 2203 O HOH 9 15.065 -3.578 -12.444 1.00 36.72 O HETATM 2204 O HOH 10 -4.945 21.336 -16.850 1.00 21.85 O HETATM 2205 O HOH 11 -5.471 5.627 4.465 1.00 35.72 O HETATM 2206 O HOH 12 4.055 25.690 -17.995 1.00 33.89 O HETATM 2207 O HOH 13 15.653 18.440 -5.305 1.00 28.16 O HETATM 2208 O HOH 14 -1.910 22.417 -2.354 1.00 27.02 O HETATM 2209 O HOH 15 -7.826 2.789 -0.725 1.00 36.73 O HETATM 2210 O HOH 16 -3.515 -2.517 -12.622 1.00 13.61 O HETATM 2211 O HOH 17 -3.414 2.449 -0.816 1.00 31.08 O HETATM 2212 O HOH 18 5.925 12.365 -32.891 1.00 30.92 O HETATM 2213 O HOH 19 2.625 -2.452 -34.082 1.00 36.27 O HETATM 2214 O HOH 20 -3.478 -19.903 0.504 1.00 24.51 O HETATM 2215 O HOH 21 -6.422 0.607 -28.038 1.00 39.20 O HETATM 2216 O HOH 22 -4.557 11.008 -21.139 1.00 16.09 O HETATM 2217 O HOH 23 10.927 -19.376 -25.781 1.00 44.68 O HETATM 2218 O HOH 24 7.542 -24.475 -7.994 1.00 39.21 O HETATM 2219 O HOH 25 -3.619 21.954 -0.118 1.00 29.27 O HETATM 2220 O HOH 26 13.154 1.199 -17.156 1.00 17.24 O HETATM 2221 O HOH 27 -4.088 15.629 -19.932 1.00 17.99 O HETATM 2222 O HOH 28 -7.476 10.504 -14.026 1.00 20.20 O HETATM 2223 O HOH 29 -5.913 -6.637 -16.875 1.00 21.09 O HETATM 2224 O HOH 30 -0.818 -21.748 -20.446 1.00 23.95 O HETATM 2225 O HOH 31 11.093 25.381 -10.255 1.00 31.32 O HETATM 2226 O HOH 32 1.065 -17.648 0.582 1.00 31.80 O HETATM 2227 O HOH 33 2.797 -5.630 -10.456 1.00 13.34 O HETATM 2228 O HOH 34 9.993 20.503 -2.868 1.00 26.88 O HETATM 2229 O HOH 35 25.854 0.415 -10.345 1.00 22.00 O HETATM 2230 O HOH 36 5.580 -2.526 3.547 1.00 36.73 O HETATM 2231 O HOH 37 6.226 -22.131 -14.518 1.00 26.48 O HETATM 2232 O HOH 38 7.013 -26.210 -19.308 1.00 34.44 O HETATM 2233 O HOH 39 5.964 -20.417 -0.783 1.00 35.74 O HETATM 2234 O HOH 40 9.896 19.594 -25.066 1.00 37.61 O HETATM 2235 O HOH 41 12.435 -15.925 -1.885 1.00 36.05 O HETATM 2236 O HOH 42 7.026 -6.714 -28.662 1.00 44.02 O HETATM 2237 O HOH 43 13.922 -5.923 -16.238 1.00 23.80 O HETATM 2238 O HOH 44 -8.736 -23.471 -15.807 1.00 32.60 O HETATM 2239 O HOH 45 3.764 -25.336 -12.857 1.00 34.97 O HETATM 2240 O HOH 46 4.947 21.595 -29.237 1.00 36.73 O HETATM 2241 O HOH 47 -1.041 19.150 -0.238 1.00 28.12 O HETATM 2242 O HOH 48 2.672 -0.818 -16.502 1.00 14.43 O HETATM 2243 O HOH 49 11.180 -22.675 -18.815 1.00 30.07 O HETATM 2244 O HOH 50 11.957 8.090 -30.852 1.00 39.58 O HETATM 2245 O HOH 51 12.404 20.672 -15.230 1.00 29.98 O HETATM 2246 O HOH 52 15.431 -10.223 -11.257 1.00 28.42 O HETATM 2247 O HOH 53 6.238 15.580 5.098 1.00 25.42 O HETATM 2248 O HOH 54 14.892 15.909 -12.932 1.00 35.94 O HETATM 2249 O HOH 55 -2.103 -4.658 -2.670 1.00 19.96 O HETATM 2250 O HOH 56 -6.481 -2.956 -2.726 1.00 29.12 O HETATM 2251 O HOH 57 8.102 19.260 -2.026 1.00 28.56 O HETATM 2252 O HOH 58 -9.463 11.318 -6.063 1.00 26.86 O HETATM 2253 O HOH 59 -10.911 -22.373 -11.804 1.00 28.04 O HETATM 2254 O HOH 60 -1.897 24.424 -12.596 1.00 24.35 O HETATM 2255 O HOH 61 3.933 -26.240 -7.596 1.00 26.71 O HETATM 2256 O HOH 62 -4.423 -8.116 -0.417 1.00 36.30 O HETATM 2257 O HOH 63 16.520 -14.569 -13.426 1.00 31.06 O HETATM 2258 O HOH 64 1.251 8.192 5.142 1.00 19.24 O HETATM 2259 O HOH 65 2.223 23.020 -19.955 1.00 23.49 O HETATM 2260 O HOH 66 8.017 -0.678 2.083 1.00 33.25 O HETATM 2261 O HOH 67 -4.497 16.571 -7.187 1.00 14.98 O HETATM 2262 O HOH 68 1.210 26.119 -18.321 1.00 32.30 O HETATM 2263 O HOH 69 3.700 -8.248 -9.488 1.00 16.69 O HETATM 2264 O HOH 70 -6.949 2.432 -19.973 1.00 25.73 O HETATM 2265 O HOH 71 5.769 2.980 -31.361 1.00 27.07 O HETATM 2266 O HOH 72 2.724 -3.134 2.179 1.00 36.34 O HETATM 2267 O HOH 73 8.556 -17.511 -2.540 1.00 30.60 O HETATM 2268 O HOH 74 -6.950 19.963 -11.068 1.00 21.28 O HETATM 2269 O HOH 75 -6.072 -1.803 -21.051 1.00 30.25 O HETATM 2270 O HOH 76 -2.105 19.360 2.692 1.00 29.75 O HETATM 2271 O HOH 77 12.539 -3.750 1.039 1.00 29.42 O HETATM 2272 O HOH 78 9.054 -2.233 -5.004 1.00 19.40 O HETATM 2273 O HOH 79 0.283 15.808 -4.386 1.00 14.97 O HETATM 2274 O HOH 80 -2.818 23.057 -23.313 1.00 31.42 O HETATM 2275 O HOH 81 0.292 0.530 -2.938 1.00 22.32 O HETATM 2276 O HOH 82 4.537 -5.765 -30.198 1.00 35.61 O HETATM 2277 O HOH 83 -4.861 -0.470 -15.455 1.00 28.53 O HETATM 2278 O HOH 84 4.488 -15.166 -24.055 1.00 20.10 O HETATM 2279 O HOH 85 9.447 -5.558 -15.379 1.00 21.65 O HETATM 2280 O HOH 86 -9.644 -5.490 -16.435 1.00 26.21 O HETATM 2281 O HOH 87 14.032 18.895 -13.111 1.00 33.45 O HETATM 2282 O HOH 88 -7.577 -0.999 -17.909 1.00 26.46 O HETATM 2283 O HOH 89 -11.761 -12.419 -12.910 1.00 19.59 O HETATM 2284 O HOH 90 16.608 -4.928 -8.553 1.00 32.75 O HETATM 2285 O HOH 91 6.760 1.877 -13.149 1.00 10.94 O HETATM 2286 O HOH 92 2.182 6.213 -12.343 1.00 11.79 O HETATM 2287 O HOH 93 -8.327 12.871 -14.741 1.00 20.86 O HETATM 2288 O HOH 94 11.936 -22.148 -13.426 1.00 32.50 O HETATM 2289 O HOH 95 -2.904 -4.118 -14.531 1.00 16.35 O HETATM 2290 O HOH 96 6.292 -10.793 -25.164 1.00 30.74 O HETATM 2291 O HOH 97 6.571 5.791 3.274 1.00 23.33 O HETATM 2292 O HOH 98 -0.708 -23.385 -3.797 1.00 26.37 O HETATM 2293 O HOH 99 -3.398 15.899 1.915 1.00 18.77 O HETATM 2294 O HOH 100 -8.228 6.458 -17.284 1.00 22.24 O HETATM 2295 O HOH 101 -8.549 -10.994 -21.465 1.00 33.90 O HETATM 2296 O HOH 102 -7.050 -7.126 -19.978 1.00 33.93 O HETATM 2297 O HOH 103 -6.147 -0.256 -5.842 1.00 20.11 O HETATM 2298 O HOH 104 7.371 -3.306 -28.438 1.00 24.98 O HETATM 2299 O HOH 105 1.964 2.515 -2.747 1.00 16.63 O HETATM 2300 O HOH 106 12.094 7.814 -24.797 1.00 29.70 O HETATM 2301 O HOH 107 -11.078 -19.240 -11.156 1.00 33.68 O HETATM 2302 O HOH 108 16.544 8.637 -17.869 1.00 22.55 O HETATM 2303 O HOH 109 5.136 -7.669 4.778 1.00 32.94 O HETATM 2304 O HOH 110 12.668 -3.989 -2.582 1.00 26.66 O HETATM 2305 O HOH 111 12.428 18.258 -16.667 1.00 23.78 O HETATM 2306 O HOH 112 -1.549 21.885 -6.148 1.00 15.72 O HETATM 2307 O HOH 113 6.083 -26.120 -11.816 1.00 46.40 O HETATM 2308 O HOH 114 -6.614 25.538 -7.471 1.00 39.71 O HETATM 2309 O HOH 115 15.880 12.138 -14.864 1.00 27.96 O HETATM 2310 O HOH 116 12.181 15.746 -21.258 1.00 23.09 O HETATM 2311 O HOH 117 11.921 13.306 -21.048 1.00 19.47 O HETATM 2312 O HOH 118 -10.524 -0.664 -6.942 1.00 23.80 O HETATM 2313 O HOH 119 7.598 8.775 9.289 1.00 33.57 O HETATM 2314 O HOH 120 1.235 20.761 -27.950 1.00 21.19 O HETATM 2315 O HOH 121 17.511 9.872 -14.537 1.00 28.30 O HETATM 2316 O HOH 122 -0.220 -0.501 -22.607 1.00 17.56 O HETATM 2317 O HOH 123 9.992 -15.222 -23.943 1.00 21.40 O HETATM 2318 O HOH 124 -2.724 -14.747 -17.510 1.00 18.11 O HETATM 2319 O HOH 125 5.252 5.468 -30.804 1.00 25.43 O HETATM 2320 O HOH 126 -9.284 -2.996 -15.746 1.00 25.65 O HETATM 2321 O HOH 127 -0.060 26.605 -11.966 1.00 36.06 O HETATM 2322 O HOH 128 -6.710 -2.853 -6.705 1.00 26.58 O HETATM 2323 O HOH 129 -7.854 17.230 -18.954 1.00 32.38 O HETATM 2324 O HOH 130 28.641 9.324 -16.324 1.00 29.30 O HETATM 2325 O HOH 131 -7.875 -11.162 0.865 1.00 38.29 O HETATM 2326 O HOH 132 2.686 5.390 -29.268 1.00 28.76 O HETATM 2327 O HOH 133 -10.165 -12.700 -17.237 1.00 30.61 O HETATM 2328 O HOH 134 -6.812 10.783 -25.078 1.00 39.92 O HETATM 2329 O HOH 135 -12.379 -10.705 -8.808 1.00 26.55 O HETATM 2330 O HOH 136 0.238 -12.504 -0.539 1.00 32.55 O HETATM 2331 O HOH 137 -7.259 16.944 -7.048 1.00 18.90 O HETATM 2332 O HOH 138 18.028 -10.616 -19.416 1.00 37.12 O HETATM 2333 O HOH 139 14.899 -18.009 -19.827 1.00 31.08 O HETATM 2334 O HOH 140 -5.719 6.495 -28.520 1.00 40.92 O HETATM 2335 O HOH 141 6.324 -3.072 -2.698 1.00 12.75 O HETATM 2336 O HOH 142 -3.008 -20.897 -23.145 1.00 31.10 O HETATM 2337 O HOH 143 1.494 -1.149 -19.092 1.00 13.72 O HETATM 2338 O HOH 144 14.924 7.098 -19.519 1.00 17.57 O HETATM 2339 O HOH 145 13.946 -13.566 -24.670 1.00 27.70 O HETATM 2340 O HOH 146 3.256 28.235 -10.053 1.00 35.98 O HETATM 2341 O HOH 147 16.130 7.971 -4.345 1.00 19.47 O HETATM 2342 O HOH 148 0.116 13.871 -31.753 1.00 22.54 O HETATM 2343 O HOH 149 15.006 8.816 -22.723 1.00 40.21 O HETATM 2344 O HOH 150 4.994 -6.066 -25.533 1.00 30.26 O HETATM 2345 O HOH 151 15.827 -6.884 -4.562 1.00 26.78 O HETATM 2346 O HOH 152 -7.735 21.924 -3.420 1.00 32.30 O HETATM 2347 O HOH 153 0.733 0.494 -0.219 1.00 22.80 O HETATM 2348 O HOH 154 16.677 -1.353 -11.848 1.00 24.73 O HETATM 2349 O HOH 155 -6.943 19.025 -13.728 1.00 21.05 O HETATM 2350 O HOH 156 -4.377 -7.485 -22.735 1.00 33.43 O HETATM 2351 O HOH 157 -5.092 11.741 -26.449 1.00 33.38 O HETATM 2352 O HOH 158 -6.107 9.905 2.012 1.00 17.69 O HETATM 2353 O HOH 159 0.057 30.955 -8.374 1.00 34.53 O HETATM 2354 O HOH 160 7.522 -20.030 -3.220 1.00 35.77 O HETATM 2355 O HOH 161 0.538 -3.670 -19.294 1.00 14.67 O HETATM 2356 O HOH 162 14.178 11.500 -19.452 1.00 26.56 O HETATM 2357 O HOH 163 14.845 -9.305 -17.153 1.00 28.02 O HETATM 2358 O HOH 164 -4.931 -25.625 -16.282 1.00 39.08 O HETATM 2359 O HOH 165 1.670 -8.854 -24.787 1.00 33.80 O HETATM 2360 O HOH 166 2.213 11.936 -29.274 1.00 20.74 O HETATM 2361 O HOH 167 -6.069 -24.366 -3.571 1.00 32.50 O HETATM 2362 O HOH 168 7.383 16.407 -0.954 1.00 18.39 O HETATM 2363 O HOH 169 -12.187 11.221 -3.897 1.00 25.84 O HETATM 2364 O HOH 170 -5.484 0.140 -19.246 1.00 22.83 O HETATM 2365 O HOH 171 1.798 22.578 -17.396 1.00 15.49 O HETATM 2366 O HOH 172 -4.764 12.622 -0.935 1.00 11.97 O HETATM 2367 O HOH 173 9.397 8.800 1.828 1.00 32.35 O HETATM 2368 O HOH 174 11.491 -1.907 -24.492 1.00 32.54 O HETATM 2369 O HOH 175 -9.126 -15.973 -11.498 1.00 29.12 O HETATM 2370 O HOH 176 2.586 5.818 -14.999 1.00 15.30 O HETATM 2371 O HOH 177 17.352 -16.831 -8.659 1.00 34.19 O HETATM 2372 O HOH 178 -3.263 18.703 -31.752 1.00 30.86 O HETATM 2373 O HOH 179 -8.416 -14.285 -18.407 1.00 34.20 O HETATM 2374 O HOH 180 3.761 -19.876 -19.753 1.00 15.16 O HETATM 2375 O HOH 181 -0.169 -19.576 -22.729 1.00 29.57 O HETATM 2376 O HOH 182 -0.326 28.900 -4.005 1.00 42.76 O HETATM 2377 O HOH 183 9.608 17.658 -27.859 1.00 37.97 O HETATM 2378 O HOH 184 17.226 16.120 -8.922 1.00 27.56 O HETATM 2379 O HOH 185 -8.381 12.410 -9.334 1.00 16.98 O HETATM 2380 O HOH 186 -10.282 10.939 -8.247 1.00 31.13 O HETATM 2381 O HOH 187 16.295 13.462 -9.658 1.00 23.22 O HETATM 2382 O HOH 188 -10.549 -23.781 -3.129 1.00 37.16 O HETATM 2383 O HOH 189 15.267 2.077 -28.820 1.00 36.18 O HETATM 2384 O HOH 190 -6.963 1.819 -22.914 1.00 24.30 O HETATM 2385 O HOH 191 -14.915 -5.559 -11.973 1.00 24.29 O HETATM 2386 O HOH 192 4.061 -19.855 1.696 1.00 43.61 O HETATM 2387 O HOH 193 -0.596 7.658 -28.146 1.00 20.32 O HETATM 2388 O HOH 194 8.128 -3.387 0.774 1.00 35.00 O HETATM 2389 O HOH 195 -4.544 -11.329 -23.766 1.00 22.69 O HETATM 2390 O HOH 196 16.291 12.280 -4.382 1.00 28.34 O HETATM 2391 O HOH 197 -7.713 10.268 -18.659 1.00 27.71 O HETATM 2392 O HOH 198 -2.103 -26.030 -14.181 1.00 33.81 O HETATM 2393 O HOH 199 -8.735 4.640 -20.708 1.00 33.89 O HETATM 2394 O HOH 200 11.638 -5.001 -14.089 1.00 27.25 O HETATM 2395 O HOH 201 -1.555 25.350 -4.985 1.00 34.23 O HETATM 2396 O HOH 202 3.633 0.635 3.339 1.00 32.74 O HETATM 2397 O HOH 203 -14.548 -6.815 -14.792 1.00 39.37 O HETATM 2398 O HOH 204 -1.270 -5.018 -23.401 1.00 35.02 O HETATM 2399 O HOH 205 11.426 -16.365 -26.283 1.00 42.65 O HETATM 2400 O HOH 206 17.366 -1.543 -16.531 1.00 38.70 O HETATM 2401 O HOH 207 20.901 5.093 -19.301 1.00 36.52 O HETATM 2402 O HOH 208 18.887 9.642 -12.094 1.00 23.65 O HETATM 2403 O HOH 209 -1.196 -0.915 -31.315 1.00 32.63 O HETATM 2404 O HOH 210 17.363 11.793 -7.847 1.00 33.30 O HETATM 2405 O HOH 211 10.250 23.123 -3.335 1.00 32.92 O HETATM 2406 O HOH 212 -8.462 16.471 -16.446 1.00 32.47 O HETATM 2407 O HOH 213 9.386 8.064 -0.592 1.00 23.96 O HETATM 2408 O HOH 214 1.212 27.597 -22.431 1.00 38.04 O HETATM 2409 O HOH 215 -1.440 4.750 2.289 1.00 31.16 O HETATM 2410 O HOH 216 -1.339 -3.781 -21.341 1.00 22.46 O HETATM 2411 O HOH 217 10.282 -24.430 -20.032 1.00 31.63 O HETATM 2412 O HOH 218 11.392 1.932 0.500 1.00 30.27 O HETATM 2413 O HOH 219 -15.299 -16.282 -1.239 1.00 20.23 O HETATM 2414 O HOH 220 12.652 -0.777 -28.576 1.00 39.79 O HETATM 2415 O HOH 221 -11.391 -10.876 -0.234 1.00 31.72 O HETATM 2416 O HOH 222 -3.678 -24.979 0.471 1.00 39.62 O HETATM 2417 O HOH 223 -6.844 -4.176 -16.858 1.00 22.86 O HETATM 2418 O HOH 224 -3.904 15.614 -26.319 1.00 33.96 O HETATM 2419 O HOH 225 12.984 1.263 -5.835 1.00 18.04 O HETATM 2420 O HOH 226 7.658 -15.170 -24.630 1.00 30.02 O HETATM 2421 O HOH 227 14.244 17.648 -3.138 1.00 15.16 O HETATM 2422 O HOH 228 23.389 6.799 -8.569 1.00 33.87 O HETATM 2423 O HOH 229 1.503 -6.332 1.779 1.00 42.06 O HETATM 2424 O HOH 230 22.873 0.740 -18.457 1.00 32.52 O HETATM 2425 O HOH 231 10.244 10.909 8.805 1.00 28.62 O HETATM 2426 O HOH 232 12.883 5.552 0.372 1.00 38.50 O HETATM 2427 O HOH 233 -3.426 7.193 -28.918 1.00 34.21 O HETATM 2428 O HOH 234 22.846 0.525 -10.373 1.00 27.56 O HETATM 2429 O HOH 235 6.099 27.572 -13.050 1.00 37.90 O HETATM 2430 O HOH 236 -4.686 0.312 -30.216 1.00 36.74 O HETATM 2431 O HOH 237 25.971 10.291 -12.305 1.00 43.58 O HETATM 2432 O HOH 238 -3.816 23.596 -5.074 1.00 21.97 O HETATM 2433 O HOH 239 11.447 7.227 -0.481 1.00 36.02 O HETATM 2434 O HOH 240 12.187 5.254 -31.712 1.00 39.87 O HETATM 2435 O HOH 241 -4.428 13.985 -24.679 1.00 33.69 O HETATM 2436 O HOH 242 -5.264 20.186 -19.424 1.00 28.40 O HETATM 2437 O HOH 243 -12.680 7.550 1.621 1.00 32.26 O HETATM 2438 O HOH 244 2.459 -20.960 -22.177 1.00 32.26 O HETATM 2439 O HOH 245 0.061 10.731 6.484 1.00 32.74 O HETATM 2440 O HOH 246 -8.951 6.850 -19.852 1.00 34.95 O HETATM 2441 O HOH 247 16.477 5.696 -21.316 1.00 24.51 O HETATM 2442 O HOH 248 11.172 -25.817 -10.272 1.00 46.52 O HETATM 2443 O HOH 249 13.093 -2.806 -20.791 1.00 38.08 O HETATM 2444 O HOH 250 15.289 -5.171 -17.966 1.00 37.33 O HETATM 2445 O HOH 251 2.213 2.343 -32.443 1.00 35.05 O HETATM 2446 O HOH 252 -2.671 11.913 -29.882 1.00 35.59 O HETATM 2447 O HOH 253 5.490 7.409 4.802 1.00 33.41 O HETATM 2448 O HOH 254 -13.333 -0.810 -5.725 1.00 37.85 O HETATM 2449 O HOH 255 -13.255 -12.631 -1.913 1.00 34.51 O HETATM 2450 O HOH 256 -8.982 10.974 -11.876 1.00 37.07 O HETATM 2451 O HOH 257 15.703 2.749 -21.203 1.00 34.37 O HETATM 2452 O HOH 258 -3.226 13.890 -28.585 1.00 29.05 O HETATM 2453 O HOH 259 2.834 -19.034 -24.900 1.00 32.22 O HETATM 2454 O HOH 260 -4.534 -4.836 -1.461 1.00 28.70 O HETATM 2455 O HOH 261 16.623 6.439 -1.761 1.00 39.00 O HETATM 2456 O HOH 262 -1.724 24.639 -15.329 1.00 23.23 O HETATM 2457 O HOH 263 -4.555 24.086 -16.400 1.00 34.69 O HETATM 2458 O HOH 264 0.967 21.886 -5.367 1.00 26.71 O HETATM 2459 O HOH 265 -6.350 24.440 -10.616 1.00 35.08 O HETATM 2460 O HOH 266 -3.725 13.498 -21.869 1.00 20.42 O HETATM 2461 O HOH 267 -3.597 -6.497 -24.904 1.00 42.03 O HETATM 2462 O HOH 268 8.533 -12.805 -25.846 1.00 36.15 O HETATM 2463 O HOH 269 14.550 -2.297 -4.858 1.00 37.66 O HETATM 2464 O HOH 270 2.832 22.845 -27.016 1.00 34.31 O HETATM 2465 O HOH 271 -8.948 -21.264 -18.759 1.00 34.29 O HETATM 2466 O HOH 272 3.647 7.358 6.482 1.00 28.88 O HETATM 2467 O HOH 273 16.657 -13.853 -25.860 1.00 34.59 O HETATM 2468 O HOH 274 2.164 -10.886 2.530 1.00 29.31 O HETATM 2469 O HOH 275 2.753 -6.313 -24.328 1.00 26.04 O HETATM 2470 O HOH 276 -0.726 5.890 5.070 1.00 27.40 O HETATM 2471 O HOH 277 16.163 14.034 -12.728 1.00 35.14 O HETATM 2472 O HOH 278 -2.942 13.190 1.217 1.00 18.70 O HETATM 2473 O HOH 279 3.916 11.301 -34.016 1.00 28.14 O HETATM 2474 O HOH 280 -12.387 3.144 -0.647 1.00 43.94 O HETATM 2475 O HOH 281 -11.017 12.685 -15.429 1.00 32.92 O HETATM 2476 O HOH 282 0.870 -25.033 -2.079 1.00 32.29 O HETATM 2477 O HOH 283 5.489 3.363 3.884 1.00 27.01 O HETATM 2478 O HOH 284 8.348 17.000 -32.480 1.00 37.18 O HETATM 2479 O HOH 285 14.549 0.640 -19.824 1.00 27.71 O HETATM 2480 O HOH 286 -11.398 1.155 0.181 1.00 42.29 O HETATM 2481 O HOH 287 14.871 -3.314 -19.390 1.00 39.14 O HETATM 2482 O HOH 288 -15.263 -14.012 -1.714 1.00 35.02 O HETATM 2483 O HOH 289 -8.447 22.543 -11.612 1.00 38.98 O HETATM 2484 O HOH 290 0.463 -2.005 0.941 1.00 27.63 O HETATM 2485 O HOH 291 6.124 23.930 -23.077 1.00 39.56 O HETATM 2486 O HOH 292 13.042 10.347 -25.397 1.00 38.19 O HETATM 2487 O HOH 293 15.478 -12.246 -14.026 1.00 34.92 O HETATM 2488 O HOH 294 4.776 6.324 -33.630 1.00 35.94 O HETATM 2489 O HOH 295 -14.790 -10.023 -6.791 1.00 41.86 O HETATM 2490 O HOH 296 -5.789 4.435 -31.991 1.00 47.11 O HETATM 2491 O HOH 297 -9.625 13.977 -5.800 1.00 27.24 O HETATM 2492 O HOH 298 -10.028 -26.214 -3.618 1.00 41.96 O HETATM 2493 O HOH 299 17.944 -19.677 -21.039 1.00 39.91 O HETATM 2494 O HOH 300 -1.192 2.458 0.680 1.00 29.33 O HETATM 2495 O HOH 301 -1.257 -18.301 1.921 1.00 32.58 O HETATM 2496 O HOH 302 20.625 0.022 -18.693 1.00 31.98 O HETATM 2497 O HOH 303 -7.346 20.769 -15.629 1.00 28.66 O HETATM 2498 O HOH 304 -1.356 -3.325 -28.286 1.00 39.74 O HETATM 2499 O HOH 305 19.867 10.251 -16.452 1.00 35.13 O HETATM 2500 O HOH 306 -4.345 25.923 -12.251 1.00 25.58 O HETATM 2501 O HOH 307 1.045 24.785 -16.221 1.00 26.25 O HETATM 2502 O HOH 308 12.589 12.578 -23.544 1.00 31.55 O HETATM 2503 O HOH 309 10.828 28.922 -5.520 1.00 41.87 O HETATM 2504 O HOH 310 -8.896 -16.999 -18.748 1.00 40.35 O HETATM 2505 O HOH 311 -13.725 -19.058 -5.994 1.00 31.06 O HETATM 2506 O HOH 312 0.395 -5.035 -25.387 1.00 33.33 O HETATM 2507 O HOH 313 -9.004 15.134 -8.185 1.00 27.37 O HETATM 2508 O HOH 314 13.257 -1.182 -23.297 1.00 42.99 O HETATM 2509 O HOH 315 20.564 2.740 -20.318 1.00 40.90 O HETATM 2510 O HOH 316 19.053 7.325 -20.159 1.00 39.43 O HETATM 2511 O HOH 317 13.299 12.092 -30.253 1.00 40.15 O HETATM 2512 O HOH 318 22.979 9.077 -8.065 1.00 41.76 O HETATM 2513 O HOH 319 17.878 -10.074 -15.547 1.00 41.42 O HETATM 2514 O HOH 320 6.009 -19.443 -26.254 1.00 48.33 O HETATM 2515 O HOH 321 -5.371 25.615 -14.471 1.00 42.34 O HETATM 2516 O HOH 322 -7.932 23.748 -14.486 1.00 39.94 O HETATM 2517 O HOH 323 0.052 -4.996 -27.747 1.00 33.26 O HETATM 2518 O HOH 324 20.681 12.388 -11.007 1.00 38.60 O HETATM 2519 O HOH 325 -0.337 6.117 9.551 1.00 32.66 O HETATM 2520 N ARG A 326 -0.071 -1.243 -12.220 1.00 0.23 N HETATM 2521 CA ARG A 326 0.167 -1.998 -10.983 1.00 0.03 C HETATM 2522 C ARG A 326 -0.285 -1.196 -9.774 1.00 0.08 C HETATM 2523 O ARG A 326 -0.539 0.009 -9.887 1.00 -0.56 O HETATM 2524 OXT ARG A 326 -0.370 -1.717 -8.663 1.00 -0.56 O HETATM 2525 CB ARG A 326 1.652 -2.350 -10.821 1.00 0.01 C HETATM 2526 CG ARG A 326 2.562 -1.124 -10.819 1.00 -0.01 C HETATM 2527 CD ARG A 326 3.952 -1.420 -10.253 1.00 0.06 C HETATM 2528 NE ARG A 326 4.909 -0.347 -10.544 1.00 -0.27 N HETATM 2529 CZ ARG A 326 6.176 -0.328 -10.137 1.00 0.29 C HETATM 2530 NH1 ARG A 326 6.651 -1.316 -9.382 1.00 -0.28 N HETATM 2531 H12 ARG A 326 7.632 -1.299 -9.069 1.00 0.26 H HETATM 2532 H13 ARG A 326 6.038 -2.098 -9.111 1.00 0.26 H HETATM 2533 NH2 ARG A 326 6.974 0.688 -10.476 1.00 -0.28 N HETATM 2534 H14 ARG A 326 6.611 1.455 -11.060 1.00 0.26 H HETATM 2535 H15 ARG A 326 7.952 0.705 -10.153 1.00 0.26 H HETATM 2536 H11 ARG A 326 4.576 0.450 -11.104 1.00 0.26 H HETATM 2537 H9 ARG A 326 4.323 -2.356 -10.697 1.00 0.07 H HETATM 2538 H10 ARG A 326 3.873 -1.538 -9.162 1.00 0.07 H HETATM 2539 H7 ARG A 326 2.093 -0.339 -10.207 1.00 0.03 H HETATM 2540 H8 ARG A 326 2.672 -0.766 -11.853 1.00 0.03 H HETATM 2541 H5 ARG A 326 1.949 -3.005 -11.653 1.00 0.03 H HETATM 2542 H6 ARG A 326 1.783 -2.885 -9.869 1.00 0.03 H HETATM 2543 H4 ARG A 326 -0.414 -2.931 -11.028 1.00 0.10 H HETATM 2544 H1 ARG A 326 0.234 -1.789 -13.011 1.00 0.20 H HETATM 2545 H2 ARG A 326 0.445 -0.378 -12.190 1.00 0.20 H HETATM 2546 H3 ARG A 326 -1.055 -1.044 -12.308 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 338 337 411 CONECT 411 338 410 CONECT 2520 2521 2544 2545 2546 CONECT 2521 2520 2522 2525 2543 CONECT 2522 2521 2523 2524 CONECT 2523 2522 CONECT 2524 2522 CONECT 2525 2521 2526 2541 2542 CONECT 2526 2525 2527 2539 2540 CONECT 2527 2526 2528 2537 2538 CONECT 2528 2527 2529 2536 CONECT 2529 2528 2530 2533 CONECT 2530 2529 2531 2532 CONECT 2531 2530 CONECT 2532 2530 CONECT 2533 2529 2534 2535 CONECT 2534 2533 CONECT 2535 2533 CONECT 2536 2528 CONECT 2537 2527 CONECT 2538 2527 CONECT 2539 2526 CONECT 2540 2526 CONECT 2541 2525 CONECT 2542 2525 CONECT 2543 2521 CONECT 2544 2520 CONECT 2545 2520 CONECT 2546 2520 MASTER 0 0 0 0 0 0 0 0 2545 1 33 19 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6mle
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1laf
RCSB PDB
PDBbind
238aa, >1LAF_1|Chain... at 99%
1lag
RCSB PDB
PDBbind
238aa, >1LAG_1|Chain... at 99%
1lah
RCSB PDB
PDBbind
238aa, >1LAH_1|Chain... at 99%
1lst
RCSB PDB
PDBbind
239aa, >1LST_1|Chain... at 99%
5owf
RCSB PDB
PDBbind
259aa, >5OWF_1|Chain... *
6mlp
RCSB PDB
PDBbind
238aa, >6MLP_1|Chain... at 99%
6mlo
RCSB PDB
PDBbind
238aa, >6MLO_1|Chain... at 99%
6mln
RCSB PDB
PDBbind
238aa, >6MLN_1|Chain... at 99%
6mlj
RCSB PDB
PDBbind
237aa, >6MLJ_1|Chains... at 99%
6mli
RCSB PDB
PDBbind
238aa, >6MLI_1|Chain... at 99%
6mlg
RCSB PDB
PDBbind
238aa, >6MLG_1|Chain... at 99%
6ml9
RCSB PDB
PDBbind
238aa, >6ML9_1|Chain... at 99%
6mla
RCSB PDB
PDBbind
238aa, >6MLA_1|Chain... at 99%
6mkw
RCSB PDB
PDBbind
237aa, >6MKW_1|Chain... at 99%
6mku
RCSB PDB
PDBbind
238aa, >6MKU_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1laf
RCSB PDB
PDBbind
ARG
2q2a
RCSB PDB
PDBbind
ARG
2y7i
RCSB PDB
PDBbind
ARG
3zzh
RCSB PDB
PDBbind
ARG
4psh
RCSB PDB
PDBbind
ARG
4usj
RCSB PDB
PDBbind
ARG
4ymx
RCSB PDB
PDBbind
ARG
4zv1
RCSB PDB
PDBbind
ARG
5gs9
RCSB PDB
PDBbind
ARG
6f34
RCSB PDB
PDBbind
ARG
6ggv
RCSB PDB
PDBbind
ARG
6mj7
RCSB PDB
PDBbind
ARG
6mlp
RCSB PDB
PDBbind
ARG
6mlo
RCSB PDB
PDBbind
ARG
6mln
RCSB PDB
PDBbind
ARG
6mlj
RCSB PDB
PDBbind
ARG
6mli
RCSB PDB
PDBbind
ARG
6mlg
RCSB PDB
PDBbind
ARG
6ml9
RCSB PDB
PDBbind
ARG
6mla
RCSB PDB
PDBbind
ARG
6mku
RCSB PDB
PDBbind
ARG
6iot
RCSB PDB
PDBbind
ARG
6det
RCSB PDB
PDBbind
ARG
5lt9
RCSB PDB
PDBbind
ARG
5gv2
RCSB PDB
PDBbind
ARG
Entry Information
PDB ID
6mle
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
LAO
Ligand Name
ARG
EC.Number
E.C.-.-.-.-
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
Kd=1.0nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Febs J. Vol. 287: pp. 763-782
Ligand Properties
Formula
C
6
H
1
6
N
4
O
2
Molecular Weight
176.217
Exact Mass
176.127
No. of atoms
28
No. of bonds
27
Polar Surface Area
130.95
LOGP Value
-1.21 (
Computed with XLOGP3
)
-2.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
Canonical SMILES
OC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P02911
Entrez Gene ID
NCBI Entrez Gene ID:
1253877
ASD
Information of known allosteric effects of PDB entries
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