Browse entries in the PDBbind-CN Database
HEADER 5JF3_COMPLEX COMPND 5JF3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ALA ALA ILE ASP LYS LEU VAL LYS ALA SER HIS LEU ILE SEQRES 2 A 129 ASP MET ASN ASP ILE ILE ARG GLU GLY ASN PRO THR LEU SEQRES 3 A 129 ARG LYS VAL ALA GLU GLU VAL THR PHE PRO LEU SER GLU SEQRES 4 A 129 LYS GLU GLU ILE LEU GLY GLU LYS MET MET GLN PHE LEU SEQRES 5 A 129 LYS HIS SER GLN ASP PRO ILE MET ALA GLU LYS LEU GLY SEQRES 6 A 129 LEU ARG GLY GLY VAL GLY LEU ALA ALA PRO GLN LEU ASP SEQRES 7 A 129 ILE SER LYS ARG ILE ILE ALA VAL LEU VAL PRO ASN VAL SEQRES 8 A 129 GLU ASP ALA GLN GLY ASN PRO PRO LYS GLU ALA TYR SER SEQRES 9 A 129 LEU GLN GLU VAL MET TYR ASN PRO LYS VAL VAL SER HIS SEQRES 10 A 129 SER VAL GLN ASP ALA ALA LEU SER ASP GLY GLU GLY SEQRES 1 A 73 LEU SER VAL ASP ARG GLU VAL PRO GLY TYR VAL VAL ARG SEQRES 2 A 73 HIS ALA ARG VAL THR ILE GLU TYR PHE ASP LYS THR GLY SEQRES 3 A 73 GLU LYS HIS ARG LEU LYS LEU LYS GLY TYR ASN SER ILE SEQRES 4 A 73 VAL VAL GLN HIS GLU ILE ASP HIS ILE ASP GLY ILE MET SEQRES 5 A 73 PHE TYR ASP ARG ILE ASN GLU LYS ASN PRO PHE ALA VAL SEQRES 6 A 73 LYS GLU GLY LEU LEU ILE LEU GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ZN A 5 1 HET ZN A 6 1 HET ZN A 7 1 HET ZN A 8 1 HET ZN A 9 1 HET SF A 5 30 ATOM 1 N ALA A 2 2.227 -18.102 28.572 1.00 41.37 N ATOM 2 CA ALA A 2 2.368 -17.515 27.207 1.00 39.23 C ATOM 3 C ALA A 2 1.245 -16.510 26.962 1.00 37.79 C ATOM 4 O ALA A 2 0.259 -16.483 27.708 1.00 38.15 O ATOM 5 CB ALA A 2 2.356 -18.614 26.149 1.00 39.04 C ATOM 6 HN3 ALA A 2 1.309 -18.584 28.647 1.00 0.00 H ATOM 7 HN2 ALA A 2 2.281 -17.343 29.281 1.00 0.00 H ATOM 8 HN1 ALA A 2 2.994 -18.786 28.735 1.00 0.00 H ATOM 9 N ALA A 3 1.404 -15.689 25.923 1.00 35.66 N ATOM 10 CA ALA A 3 0.408 -14.682 25.560 1.00 33.59 C ATOM 11 C ALA A 3 -0.973 -15.313 25.325 1.00 32.45 C ATOM 12 O ALA A 3 -1.999 -14.788 25.783 1.00 31.87 O ATOM 13 CB ALA A 3 0.865 -13.909 24.330 1.00 32.40 C ATOM 14 H ALA A 3 2.268 -15.768 25.350 1.00 0.00 H ATOM 15 N ILE A 4 -0.982 -16.449 24.628 1.00 31.44 N ATOM 16 CA ILE A 4 -2.211 -17.141 24.285 1.00 30.69 C ATOM 17 C ILE A 4 -3.031 -17.498 25.523 1.00 31.56 C ATOM 18 O ILE A 4 -4.255 -17.406 25.512 1.00 31.38 O ATOM 19 CB ILE A 4 -1.939 -18.414 23.412 1.00 30.38 C ATOM 20 CG1 ILE A 4 -3.245 -19.001 22.872 1.00 30.85 C ATOM 21 CG2 ILE A 4 -1.136 -19.461 24.189 1.00 32.11 C ATOM 22 CD1 ILE A 4 -4.035 -18.081 22.000 1.00 28.59 C ATOM 23 H ILE A 4 -0.076 -16.854 24.319 1.00 0.00 H ATOM 24 N ASP A 5 -2.347 -17.902 26.587 1.00 32.66 N ATOM 25 CA ASP A 5 -3.020 -18.323 27.811 1.00 34.13 C ATOM 26 C ASP A 5 -3.777 -17.163 28.473 1.00 33.29 C ATOM 27 O ASP A 5 -4.930 -17.317 28.859 1.00 34.32 O ATOM 28 CB ASP A 5 -2.008 -18.956 28.760 1.00 36.06 C ATOM 29 CG ASP A 5 -1.224 -20.078 28.095 1.00 38.13 C ATOM 30 OD1 ASP A 5 -1.856 -21.049 27.623 1.00 39.33 O ATOM 31 OD2 ASP A 5 0.023 -19.970 28.024 1.00 42.74 O ATOM 32 H ASP A 5 -1.308 -17.919 26.547 1.00 0.00 H ATOM 33 N LYS A 6 -3.128 -16.006 28.555 1.00 31.97 N ATOM 34 CA LYS A 6 -3.739 -14.791 29.075 1.00 31.02 C ATOM 35 C LYS A 6 -4.974 -14.393 28.241 1.00 29.16 C ATOM 36 O LYS A 6 -6.033 -14.083 28.796 1.00 28.83 O ATOM 37 CB LYS A 6 -2.716 -13.665 29.100 1.00 30.95 C ATOM 38 H LYS A 6 -2.140 -15.967 28.233 1.00 0.00 H ATOM 39 N LEU A 7 -4.837 -14.442 26.912 1.00 26.42 N ATOM 40 CA LEU A 7 -5.891 -13.966 26.010 1.00 24.51 C ATOM 41 C LEU A 7 -7.177 -14.800 26.023 1.00 24.32 C ATOM 42 O LEU A 7 -8.266 -14.261 25.820 1.00 23.48 O ATOM 43 CB LEU A 7 -5.371 -13.890 24.569 1.00 23.44 C ATOM 44 CG LEU A 7 -4.301 -12.865 24.178 1.00 24.23 C ATOM 45 CD1 LEU A 7 -3.490 -13.356 22.980 1.00 25.72 C ATOM 46 CD2 LEU A 7 -4.931 -11.538 23.850 1.00 26.43 C ATOM 47 H LEU A 7 -3.960 -14.828 26.507 1.00 0.00 H ATOM 48 N VAL A 8 -7.058 -16.112 26.232 1.00 24.26 N ATOM 49 CA VAL A 8 -8.223 -16.997 26.095 1.00 24.55 C ATOM 50 C VAL A 8 -9.003 -17.249 27.398 1.00 26.22 C ATOM 51 O VAL A 8 -10.068 -17.868 27.364 1.00 26.57 O ATOM 52 CB VAL A 8 -7.891 -18.332 25.355 1.00 24.69 C ATOM 53 CG1 VAL A 8 -7.285 -18.030 23.988 1.00 23.92 C ATOM 54 CG2 VAL A 8 -6.959 -19.182 26.158 1.00 25.41 C ATOM 55 H VAL A 8 -6.134 -16.511 26.494 1.00 0.00 H ATOM 56 N LYS A 9 -8.490 -16.742 28.525 1.00 27.14 N ATOM 57 CA LYS A 9 -9.249 -16.766 29.795 1.00 28.81 C ATOM 58 C LYS A 9 -10.664 -16.228 29.577 1.00 29.10 C ATOM 59 O LYS A 9 -10.846 -15.184 28.938 1.00 27.33 O ATOM 60 CB LYS A 9 -8.516 -15.962 30.882 1.00 29.60 C ATOM 61 H LYS A 9 -7.538 -16.323 28.508 1.00 0.00 H ATOM 62 N ALA A 10 -11.662 -16.958 30.084 1.00 30.44 N ATOM 63 CA ALA A 10 -13.072 -16.657 29.833 1.00 31.10 C ATOM 64 C ALA A 10 -13.445 -15.197 30.089 1.00 31.05 C ATOM 65 O ALA A 10 -14.188 -14.586 29.303 1.00 31.03 O ATOM 66 CB ALA A 10 -13.965 -17.577 30.664 1.00 32.99 C ATOM 67 H ALA A 10 -11.427 -17.775 30.683 1.00 0.00 H ATOM 68 N SER A 11 -12.930 -14.643 31.183 1.00 31.65 N ATOM 69 CA SER A 11 -13.280 -13.290 31.601 1.00 31.92 C ATOM 70 C SER A 11 -12.380 -12.221 30.986 1.00 29.67 C ATOM 71 O SER A 11 -12.605 -11.025 31.192 1.00 30.55 O ATOM 72 CB SER A 11 -13.182 -13.180 33.120 1.00 33.39 C ATOM 73 OG SER A 11 -11.839 -13.389 33.521 1.00 36.22 O ATOM 74 HG SER A 11 -11.547 -14.290 33.235 1.00 0.00 H ATOM 75 H SER A 11 -12.258 -15.191 31.757 1.00 0.00 H ATOM 76 N HIS A 12 -11.359 -12.636 30.247 1.00 27.21 N ATOM 77 CA HIS A 12 -10.429 -11.661 29.693 1.00 25.03 C ATOM 78 C HIS A 12 -10.974 -11.008 28.427 1.00 23.07 C ATOM 79 O HIS A 12 -11.353 -11.695 27.471 1.00 22.35 O ATOM 80 CB HIS A 12 -9.073 -12.286 29.409 1.00 24.94 C ATOM 81 CG HIS A 12 -8.081 -11.322 28.853 1.00 25.24 C ATOM 82 ND1 HIS A 12 -7.882 -11.168 27.498 1.00 26.04 N ATOM 83 CD2 HIS A 12 -7.248 -10.442 29.459 1.00 27.09 C ATOM 84 CE1 HIS A 12 -6.962 -10.240 27.294 1.00 25.64 C ATOM 85 NE2 HIS A 12 -6.556 -9.790 28.468 1.00 27.19 N ATOM 86 H HIS A 12 -11.224 -13.651 30.064 1.00 0.00 H ATOM 87 N LEU A 13 -10.986 -9.681 28.428 1.00 21.17 N ATOM 88 CA LEU A 13 -11.347 -8.921 27.241 1.00 19.19 C ATOM 89 C LEU A 13 -10.100 -8.289 26.649 1.00 18.21 C ATOM 90 O LEU A 13 -9.327 -7.633 27.355 1.00 18.00 O ATOM 91 CB LEU A 13 -12.356 -7.824 27.582 1.00 20.28 C ATOM 92 CG LEU A 13 -13.708 -8.259 28.158 1.00 20.96 C ATOM 93 CD1 LEU A 13 -14.580 -7.045 28.378 1.00 22.93 C ATOM 94 CD2 LEU A 13 -14.415 -9.260 27.270 1.00 21.87 C ATOM 95 H LEU A 13 -10.731 -9.172 29.298 1.00 0.00 H ATOM 96 N ILE A 14 -9.892 -8.484 25.349 1.00 16.35 N ATOM 97 CA ILE A 14 -8.731 -7.879 24.695 1.00 15.60 C ATOM 98 C ILE A 14 -8.864 -6.348 24.714 1.00 15.65 C ATOM 99 O ILE A 14 -9.931 -5.794 24.423 1.00 15.46 O ATOM 100 CB ILE A 14 -8.559 -8.418 23.239 1.00 14.42 C ATOM 101 CG1 ILE A 14 -8.231 -9.915 23.280 1.00 13.99 C ATOM 102 CG2 ILE A 14 -7.491 -7.632 22.467 1.00 14.05 C ATOM 103 CD1 ILE A 14 -8.140 -10.618 21.890 1.00 14.23 C ATOM 104 H ILE A 14 -10.554 -9.066 24.798 1.00 0.00 H ATOM 105 N ASP A 15 -7.783 -5.673 25.086 1.00 15.31 N ATOM 106 CA ASP A 15 -7.737 -4.225 25.012 1.00 16.35 C ATOM 107 C ASP A 15 -6.378 -3.789 24.459 1.00 16.00 C ATOM 108 O ASP A 15 -5.597 -4.635 23.985 1.00 15.62 O ATOM 109 CB ASP A 15 -8.049 -3.587 26.381 1.00 18.30 C ATOM 110 CG ASP A 15 -7.039 -3.958 27.457 1.00 21.83 C ATOM 111 OD1 ASP A 15 -5.851 -4.176 27.141 1.00 21.59 O ATOM 112 OD2 ASP A 15 -7.442 -4.030 28.652 1.00 24.84 O ATOM 113 H ASP A 15 -6.953 -6.192 25.437 1.00 0.00 H ATOM 114 N MET A 16 -6.085 -2.494 24.538 1.00 16.93 N ATOM 115 CA MET A 16 -4.876 -1.974 23.874 1.00 17.03 C ATOM 116 C MET A 16 -3.601 -2.485 24.528 1.00 17.71 C ATOM 117 O MET A 16 -2.543 -2.537 23.891 1.00 17.12 O ATOM 118 CB MET A 16 -4.865 -0.443 23.804 1.00 18.20 C ATOM 119 CG MET A 16 -6.050 0.159 23.051 1.00 18.29 C ATOM 120 SD MET A 16 -6.276 -0.542 21.377 1.00 20.28 S ATOM 121 CE MET A 16 -4.742 -0.025 20.612 1.00 21.13 C ATOM 122 H MET A 16 -6.707 -1.850 25.067 1.00 0.00 H ATOM 123 N ASN A 17 -3.693 -2.857 25.802 1.00 18.83 N ATOM 124 CA ASN A 17 -2.526 -3.396 26.515 1.00 20.21 C ATOM 125 C ASN A 17 -2.085 -4.785 26.032 1.00 19.37 C ATOM 126 O ASN A 17 -0.985 -5.249 26.346 1.00 19.86 O ATOM 127 CB ASN A 17 -2.794 -3.385 28.026 1.00 22.90 C ATOM 128 CG ASN A 17 -2.791 -1.967 28.605 1.00 26.71 C ATOM 129 OD1 ASN A 17 -2.183 -1.050 28.039 1.00 31.15 O ATOM 130 ND2 ASN A 17 -3.456 -1.787 29.741 1.00 32.33 N ATOM 131 HD22 ASN A 17 -3.954 -2.585 30.184 1.00 0.00 H ATOM 132 HD21 ASN A 17 -3.479 -0.848 30.187 1.00 0.00 H ATOM 133 H ASN A 17 -4.602 -2.765 26.300 1.00 0.00 H ATOM 134 N ASP A 18 -2.947 -5.431 25.254 1.00 17.09 N ATOM 135 CA ASP A 18 -2.664 -6.735 24.676 1.00 16.58 C ATOM 136 C ASP A 18 -2.052 -6.612 23.286 1.00 15.41 C ATOM 137 O ASP A 18 -1.602 -7.607 22.721 1.00 15.17 O ATOM 138 CB ASP A 18 -3.950 -7.542 24.580 1.00 15.88 C ATOM 139 CG ASP A 18 -4.557 -7.832 25.945 1.00 18.64 C ATOM 140 OD1 ASP A 18 -5.740 -7.541 26.111 1.00 19.50 O ATOM 141 OD2 ASP A 18 -3.833 -8.324 26.850 1.00 20.73 O ATOM 142 H ASP A 18 -3.864 -4.985 25.050 1.00 0.00 H ATOM 143 N ILE A 19 -2.060 -5.395 22.743 1.00 14.43 N ATOM 144 CA ILE A 19 -1.593 -5.167 21.380 1.00 14.53 C ATOM 145 C ILE A 19 -0.125 -4.755 21.394 1.00 14.69 C ATOM 146 O ILE A 19 0.242 -3.749 22.035 1.00 15.20 O ATOM 147 CB ILE A 19 -2.504 -4.145 20.641 1.00 13.63 C ATOM 148 CG1 ILE A 19 -3.910 -4.756 20.475 1.00 14.95 C ATOM 149 CG2 ILE A 19 -1.882 -3.752 19.282 1.00 14.22 C ATOM 150 CD1 ILE A 19 -4.971 -3.855 19.859 1.00 16.05 C ATOM 151 H ILE A 19 -2.407 -4.590 23.303 1.00 0.00 H ATOM 152 N ILE A 20 0.720 -5.543 20.719 1.00 13.82 N ATOM 153 CA ILE A 20 2.154 -5.248 20.701 1.00 15.17 C ATOM 154 C ILE A 20 2.431 -4.108 19.733 1.00 15.57 C ATOM 155 O ILE A 20 1.614 -3.813 18.845 1.00 14.84 O ATOM 156 CB ILE A 20 3.032 -6.486 20.373 1.00 14.38 C ATOM 157 CG1 ILE A 20 2.720 -7.004 18.962 1.00 13.90 C ATOM 158 CG2 ILE A 20 2.833 -7.569 21.426 1.00 16.02 C ATOM 159 CD1 ILE A 20 3.666 -8.111 18.486 1.00 14.52 C ATOM 160 H ILE A 20 0.356 -6.370 20.204 1.00 0.00 H ATOM 161 N ARG A 21 3.589 -3.480 19.902 1.00 17.60 N ATOM 162 CA ARG A 21 3.875 -2.258 19.185 1.00 18.60 C ATOM 163 C ARG A 21 5.038 -2.406 18.224 1.00 18.06 C ATOM 164 O ARG A 21 5.880 -3.305 18.349 1.00 17.10 O ATOM 165 CB ARG A 21 4.122 -1.100 20.166 1.00 21.17 C ATOM 166 CG ARG A 21 2.935 -0.823 21.135 1.00 23.54 C ATOM 167 CD ARG A 21 1.562 -0.756 20.402 1.00 28.47 C ATOM 168 NE ARG A 21 0.466 -1.033 21.336 1.00 32.70 N ATOM 169 CZ ARG A 21 -0.199 -0.101 22.015 1.00 35.16 C ATOM 170 NH1 ARG A 21 0.089 1.185 21.846 1.00 36.32 N ATOM 171 NH2 ARG A 21 -1.157 -0.454 22.860 1.00 34.81 N ATOM 172 HE ARG A 21 0.189 -2.025 21.478 1.00 0.00 H ATOM 173 HH12 ARG A 21 -0.434 1.909 22.379 1.00 0.00 H ATOM 174 HH11 ARG A 21 0.837 1.467 21.181 1.00 0.00 H ATOM 175 HH22 ARG A 21 -1.677 0.274 23.391 1.00 0.00 H ATOM 176 HH21 ARG A 21 -1.389 -1.459 22.993 1.00 0.00 H ATOM 177 H ARG A 21 4.297 -3.871 20.556 1.00 0.00 H ATOM 178 N GLU A 22 5.040 -1.496 17.258 1.00 18.21 N ATOM 179 CA GLU A 22 6.084 -1.347 16.284 1.00 19.28 C ATOM 180 C GLU A 22 7.453 -1.570 16.926 1.00 20.24 C ATOM 181 O GLU A 22 7.778 -0.955 17.941 1.00 21.10 O ATOM 182 CB GLU A 22 5.978 0.063 15.717 1.00 19.83 C ATOM 183 CG GLU A 22 6.824 0.313 14.541 1.00 20.68 C ATOM 184 CD GLU A 22 6.528 1.645 13.913 1.00 21.42 C ATOM 185 OE1 GLU A 22 6.528 1.689 12.674 1.00 21.13 O ATOM 186 OE2 GLU A 22 6.301 2.646 14.644 1.00 19.56 O ATOM 187 H GLU A 22 4.230 -0.846 17.203 1.00 0.00 H ATOM 188 N GLY A 23 8.242 -2.459 16.340 1.00 20.54 N ATOM 189 CA GLY A 23 9.543 -2.793 16.897 1.00 21.57 C ATOM 190 C GLY A 23 9.585 -4.201 17.460 1.00 21.67 C ATOM 191 O GLY A 23 10.644 -4.838 17.488 1.00 23.89 O ATOM 192 H GLY A 23 7.925 -2.926 15.466 1.00 0.00 H ATOM 193 N ASN A 24 8.439 -4.695 17.917 1.00 19.48 N ATOM 194 CA ASN A 24 8.372 -6.046 18.438 1.00 18.92 C ATOM 195 C ASN A 24 8.585 -7.014 17.276 1.00 17.80 C ATOM 196 O ASN A 24 7.859 -6.933 16.261 1.00 16.79 O ATOM 197 CB ASN A 24 7.020 -6.298 19.090 1.00 18.36 C ATOM 198 CG ASN A 24 6.954 -7.635 19.813 1.00 19.17 C ATOM 199 OD1 ASN A 24 7.289 -8.691 19.260 1.00 18.74 O ATOM 200 ND2 ASN A 24 6.481 -7.599 21.055 1.00 21.08 N ATOM 201 HD22 ASN A 24 6.211 -6.690 21.482 1.00 0.00 H ATOM 202 HD21 ASN A 24 6.381 -8.480 21.599 1.00 0.00 H ATOM 203 H ASN A 24 7.582 -4.106 17.901 1.00 0.00 H ATOM 204 N PRO A 25 9.594 -7.902 17.388 1.00 18.12 N ATOM 205 CA PRO A 25 9.945 -8.817 16.301 1.00 17.48 C ATOM 206 C PRO A 25 8.798 -9.647 15.777 1.00 15.15 C ATOM 207 O PRO A 25 8.847 -10.057 14.622 1.00 15.08 O ATOM 208 CB PRO A 25 10.973 -9.760 16.942 1.00 19.91 C ATOM 209 CG PRO A 25 11.584 -8.952 18.003 1.00 21.13 C ATOM 210 CD PRO A 25 10.493 -8.085 18.547 1.00 20.60 C ATOM 211 N THR A 26 7.793 -9.927 16.605 1.00 13.90 N ATOM 212 CA THR A 26 6.684 -10.789 16.171 1.00 12.86 C ATOM 213 C THR A 26 5.961 -10.197 14.952 1.00 11.04 C ATOM 214 O THR A 26 5.476 -10.937 14.101 1.00 10.93 O ATOM 215 CB THR A 26 5.707 -11.109 17.331 1.00 14.17 C ATOM 216 OG1 THR A 26 6.429 -11.814 18.344 1.00 15.66 O ATOM 217 CG2 THR A 26 4.562 -12.003 16.869 1.00 13.22 C ATOM 218 HG1 THR A 26 5.819 -12.027 19.094 1.00 0.00 H ATOM 219 H THR A 26 7.793 -9.532 17.567 1.00 0.00 H ATOM 220 N LEU A 27 5.935 -8.873 14.854 1.00 10.14 N ATOM 221 CA LEU A 27 5.249 -8.205 13.723 1.00 9.45 C ATOM 222 C LEU A 27 5.932 -8.440 12.380 1.00 9.64 C ATOM 223 O LEU A 27 5.316 -8.221 11.321 1.00 9.32 O ATOM 224 CB LEU A 27 5.145 -6.703 13.970 1.00 9.73 C ATOM 225 CG LEU A 27 4.201 -6.318 15.114 1.00 10.57 C ATOM 226 CD1 LEU A 27 4.307 -4.832 15.425 1.00 11.75 C ATOM 227 CD2 LEU A 27 2.772 -6.721 14.776 1.00 10.53 C ATOM 228 H LEU A 27 6.403 -8.296 15.582 1.00 0.00 H ATOM 229 N ARG A 28 7.200 -8.850 12.413 1.00 10.05 N ATOM 230 CA ARG A 28 7.976 -9.089 11.185 1.00 10.12 C ATOM 231 C ARG A 28 8.148 -10.572 10.785 1.00 10.70 C ATOM 232 O ARG A 28 8.783 -10.890 9.775 1.00 11.55 O ATOM 233 CB ARG A 28 9.338 -8.373 11.276 1.00 11.74 C ATOM 234 CG ARG A 28 9.237 -6.861 11.200 1.00 12.49 C ATOM 235 CD ARG A 28 8.709 -6.451 9.813 1.00 13.01 C ATOM 236 NE ARG A 28 8.897 -5.044 9.496 1.00 15.50 N ATOM 237 CZ ARG A 28 8.397 -4.461 8.405 1.00 14.59 C ATOM 238 NH1 ARG A 28 7.657 -5.175 7.547 1.00 10.81 N ATOM 239 NH2 ARG A 28 8.628 -3.175 8.178 1.00 14.46 N ATOM 240 HE ARG A 28 9.451 -4.461 10.155 1.00 0.00 H ATOM 241 HH12 ARG A 28 7.266 -4.723 6.696 1.00 0.00 H ATOM 242 HH11 ARG A 28 7.473 -6.182 7.732 1.00 0.00 H ATOM 243 HH22 ARG A 28 8.239 -2.719 7.328 1.00 0.00 H ATOM 244 HH21 ARG A 28 9.198 -2.623 8.850 1.00 0.00 H ATOM 245 H ARG A 28 7.655 -9.006 13.335 1.00 0.00 H ATOM 246 N LYS A 29 7.615 -11.495 11.585 1.00 10.67 N ATOM 247 CA LYS A 29 7.712 -12.909 11.252 1.00 11.13 C ATOM 248 C LYS A 29 6.695 -13.300 10.193 1.00 10.89 C ATOM 249 O LYS A 29 5.727 -12.562 9.955 1.00 9.70 O ATOM 250 CB LYS A 29 7.472 -13.766 12.498 1.00 12.72 C ATOM 251 CG LYS A 29 8.583 -13.627 13.528 1.00 15.42 C ATOM 252 CD LYS A 29 8.249 -14.374 14.800 1.00 21.93 C ATOM 253 CE LYS A 29 9.428 -14.256 15.766 1.00 26.79 C ATOM 254 NZ LYS A 29 9.093 -14.837 17.092 1.00 32.01 N ATOM 255 HZ1 LYS A 29 8.279 -14.330 17.496 1.00 0.00 H ATOM 256 HZ2 LYS A 29 8.855 -15.843 16.978 1.00 0.00 H ATOM 257 HZ3 LYS A 29 9.911 -14.743 17.727 1.00 0.00 H ATOM 258 H LYS A 29 7.125 -11.203 12.455 1.00 0.00 H ATOM 259 N VAL A 30 6.913 -14.446 9.552 1.00 10.56 N ATOM 260 CA VAL A 30 5.842 -15.078 8.770 1.00 10.11 C ATOM 261 C VAL A 30 5.110 -15.988 9.738 1.00 9.77 C ATOM 262 O VAL A 30 5.685 -16.955 10.263 1.00 10.88 O ATOM 263 CB VAL A 30 6.341 -15.897 7.554 1.00 11.42 C ATOM 264 CG1 VAL A 30 5.175 -16.517 6.784 1.00 9.44 C ATOM 265 CG2 VAL A 30 7.146 -15.014 6.620 1.00 12.70 C ATOM 266 H VAL A 30 7.848 -14.897 9.605 1.00 0.00 H ATOM 267 N ALA A 31 3.842 -15.670 9.979 1.00 8.85 N ATOM 268 CA ALA A 31 3.031 -16.427 10.937 1.00 8.71 C ATOM 269 C ALA A 31 2.813 -17.889 10.516 1.00 9.56 C ATOM 270 O ALA A 31 2.725 -18.208 9.317 1.00 9.46 O ATOM 271 CB ALA A 31 1.718 -15.721 11.146 1.00 8.27 C ATOM 272 H ALA A 31 3.416 -14.866 9.476 1.00 0.00 H ATOM 273 N GLU A 32 2.703 -18.774 11.507 1.00 10.71 N ATOM 274 CA GLU A 32 2.540 -20.204 11.275 1.00 12.25 C ATOM 275 C GLU A 32 1.096 -20.573 10.880 1.00 11.57 C ATOM 276 O GLU A 32 0.132 -20.102 11.492 1.00 10.09 O ATOM 277 CB GLU A 32 2.910 -20.960 12.556 1.00 14.71 C ATOM 278 CG GLU A 32 3.418 -22.347 12.304 1.00 22.51 C ATOM 279 CD GLU A 32 4.589 -22.368 11.317 1.00 26.05 C ATOM 280 OE1 GLU A 32 5.609 -21.669 11.511 1.00 31.61 O ATOM 281 OE2 GLU A 32 4.471 -23.077 10.320 1.00 33.46 O ATOM 282 H GLU A 32 2.735 -18.429 12.488 1.00 0.00 H ATOM 283 N GLU A 33 0.934 -21.425 9.867 1.00 12.30 N ATOM 284 CA GLU A 33 -0.396 -21.884 9.505 1.00 13.25 C ATOM 285 C GLU A 33 -1.051 -22.621 10.643 1.00 13.62 C ATOM 286 O GLU A 33 -0.357 -23.304 11.407 1.00 14.48 O ATOM 287 CB GLU A 33 -0.363 -22.824 8.297 1.00 15.09 C ATOM 288 CG GLU A 33 -0.296 -22.053 7.006 1.00 20.76 C ATOM 289 CD GLU A 33 -0.895 -22.807 5.841 1.00 29.30 C ATOM 290 OE1 GLU A 33 -1.419 -22.128 4.926 1.00 32.35 O ATOM 291 OE2 GLU A 33 -0.849 -24.065 5.852 1.00 33.17 O ATOM 292 H GLU A 33 1.762 -21.762 9.335 1.00 0.00 H ATOM 293 N VAL A 34 -2.380 -22.491 10.749 1.00 13.64 N ATOM 294 CA VAL A 34 -3.117 -23.268 11.757 1.00 15.43 C ATOM 295 C VAL A 34 -3.500 -24.612 11.150 1.00 17.56 C ATOM 296 O VAL A 34 -3.719 -24.717 9.936 1.00 17.13 O ATOM 297 CB VAL A 34 -4.395 -22.562 12.301 1.00 15.88 C ATOM 298 CG1 VAL A 34 -4.051 -21.194 12.863 1.00 14.35 C ATOM 299 CG2 VAL A 34 -5.442 -22.444 11.222 1.00 15.06 C ATOM 300 H VAL A 34 -2.891 -21.841 10.118 1.00 0.00 H ATOM 301 N THR A 35 -3.573 -25.636 11.996 1.00 19.19 N ATOM 302 CA THR A 35 -4.041 -26.946 11.543 1.00 21.73 C ATOM 303 C THR A 35 -5.465 -27.213 12.052 1.00 21.67 C ATOM 304 O THR A 35 -5.861 -26.718 13.117 1.00 21.29 O ATOM 305 CB THR A 35 -3.105 -28.072 12.011 1.00 23.74 C ATOM 306 OG1 THR A 35 -3.021 -28.029 13.436 1.00 27.19 O ATOM 307 CG2 THR A 35 -1.680 -27.904 11.423 1.00 24.16 C ATOM 308 HG1 THR A 35 -3.923 -28.157 13.823 1.00 0.00 H ATOM 309 H THR A 35 -3.295 -25.504 12.989 1.00 0.00 H ATOM 310 N PHE A 36 -6.224 -27.982 11.269 1.00 22.32 N ATOM 311 CA PHE A 36 -7.582 -28.371 11.616 1.00 23.49 C ATOM 312 C PHE A 36 -7.673 -29.864 11.949 1.00 26.05 C ATOM 313 O PHE A 36 -6.997 -30.671 11.321 1.00 27.80 O ATOM 314 CB PHE A 36 -8.536 -28.054 10.472 1.00 22.67 C ATOM 315 CG PHE A 36 -8.772 -26.596 10.296 1.00 20.22 C ATOM 316 CD1 PHE A 36 -7.977 -25.848 9.425 1.00 19.91 C ATOM 317 CD2 PHE A 36 -9.758 -25.953 11.029 1.00 18.14 C ATOM 318 CE1 PHE A 36 -8.190 -24.471 9.283 1.00 20.18 C ATOM 319 CE2 PHE A 36 -9.982 -24.578 10.884 1.00 18.72 C ATOM 320 CZ PHE A 36 -9.195 -23.838 10.010 1.00 17.98 C ATOM 321 H PHE A 36 -5.826 -28.319 10.369 1.00 0.00 H ATOM 322 N PRO A 37 -8.538 -30.231 12.911 1.00 27.11 N ATOM 323 CA PRO A 37 -9.452 -29.345 13.652 1.00 26.04 C ATOM 324 C PRO A 37 -8.711 -28.397 14.590 1.00 24.86 C ATOM 325 O PRO A 37 -7.668 -28.754 15.137 1.00 24.94 O ATOM 326 CB PRO A 37 -10.351 -30.318 14.434 1.00 27.95 C ATOM 327 CG PRO A 37 -9.610 -31.584 14.477 1.00 30.16 C ATOM 328 CD PRO A 37 -8.645 -31.636 13.337 1.00 29.23 C ATOM 329 N LEU A 38 -9.237 -27.180 14.723 1.00 23.84 N ATOM 330 CA LEU A 38 -8.643 -26.149 15.573 1.00 23.63 C ATOM 331 C LEU A 38 -8.573 -26.592 17.020 1.00 24.76 C ATOM 332 O LEU A 38 -9.491 -27.244 17.504 1.00 26.39 O ATOM 333 CB LEU A 38 -9.498 -24.887 15.555 1.00 22.86 C ATOM 334 CG LEU A 38 -9.478 -23.945 14.372 1.00 21.34 C ATOM 335 CD1 LEU A 38 -10.268 -22.693 14.750 1.00 20.71 C ATOM 336 CD2 LEU A 38 -8.046 -23.620 13.949 1.00 22.46 C ATOM 337 H LEU A 38 -10.107 -26.954 14.200 1.00 0.00 H ATOM 338 N SER A 39 -7.519 -26.185 17.719 1.00 24.99 N ATOM 339 CA SER A 39 -7.496 -26.314 19.171 1.00 26.46 C ATOM 340 C SER A 39 -8.513 -25.352 19.792 1.00 26.85 C ATOM 341 O SER A 39 -8.915 -24.350 19.173 1.00 24.64 O ATOM 342 CB SER A 39 -6.115 -25.982 19.706 1.00 26.89 C ATOM 343 OG SER A 39 -5.869 -24.593 19.610 1.00 24.82 O ATOM 344 HG SER A 39 -4.966 -24.394 19.963 1.00 0.00 H ATOM 345 H SER A 39 -6.703 -25.770 17.226 1.00 0.00 H ATOM 346 N GLU A 40 -8.922 -25.647 21.026 1.00 28.51 N ATOM 347 CA GLU A 40 -9.820 -24.760 21.755 1.00 29.77 C ATOM 348 C GLU A 40 -9.246 -23.338 21.840 1.00 26.80 C ATOM 349 O GLU A 40 -9.984 -22.367 21.657 1.00 26.14 O ATOM 350 CB GLU A 40 -10.136 -25.321 23.155 1.00 31.52 C ATOM 351 CG GLU A 40 -11.328 -24.630 23.827 1.00 34.83 C ATOM 352 CD GLU A 40 -11.420 -24.864 25.342 1.00 36.71 C ATOM 353 OE1 GLU A 40 -12.514 -24.626 25.910 1.00 41.72 O ATOM 354 OE2 GLU A 40 -10.408 -25.267 25.966 1.00 42.72 O ATOM 355 H GLU A 40 -8.595 -26.525 21.476 1.00 0.00 H ATOM 356 N LYS A 41 -7.941 -23.230 22.101 1.00 25.41 N ATOM 357 CA LYS A 41 -7.262 -21.937 22.229 1.00 24.24 C ATOM 358 C LYS A 41 -7.410 -21.118 20.949 1.00 22.01 C ATOM 359 O LYS A 41 -7.706 -19.923 20.998 1.00 20.64 O ATOM 360 CB LYS A 41 -5.775 -22.131 22.507 1.00 24.89 C ATOM 361 CG LYS A 41 -5.421 -22.432 23.947 1.00 28.53 C ATOM 362 CD LYS A 41 -3.917 -22.645 24.059 1.00 31.29 C ATOM 363 CE LYS A 41 -3.525 -23.038 25.474 1.00 35.15 C ATOM 364 NZ LYS A 41 -2.039 -23.058 25.668 1.00 36.26 N ATOM 365 HZ1 LYS A 41 -1.614 -23.745 25.013 1.00 0.00 H ATOM 366 HZ2 LYS A 41 -1.653 -22.111 25.477 1.00 0.00 H ATOM 367 HZ3 LYS A 41 -1.822 -23.331 26.648 1.00 0.00 H ATOM 368 H LYS A 41 -7.383 -24.100 22.218 1.00 0.00 H ATOM 369 N GLU A 42 -7.212 -21.773 19.809 1.00 20.73 N ATOM 370 CA GLU A 42 -7.260 -21.061 18.514 1.00 18.98 C ATOM 371 C GLU A 42 -8.663 -20.624 18.123 1.00 18.07 C ATOM 372 O GLU A 42 -8.854 -19.562 17.485 1.00 16.55 O ATOM 373 CB GLU A 42 -6.647 -21.918 17.405 1.00 19.10 C ATOM 374 CG GLU A 42 -5.172 -22.117 17.574 1.00 21.59 C ATOM 375 CD GLU A 42 -4.620 -23.219 16.678 1.00 26.29 C ATOM 376 OE1 GLU A 42 -5.291 -24.264 16.480 1.00 27.50 O ATOM 377 OE2 GLU A 42 -3.496 -23.033 16.183 1.00 29.44 O ATOM 378 H GLU A 42 -7.022 -22.795 19.828 1.00 0.00 H ATOM 379 N GLU A 43 -9.646 -21.431 18.504 1.00 18.12 N ATOM 380 CA GLU A 43 -11.041 -21.070 18.292 1.00 18.31 C ATOM 381 C GLU A 43 -11.420 -19.881 19.177 1.00 17.21 C ATOM 382 O GLU A 43 -12.025 -18.899 18.720 1.00 17.06 O ATOM 383 CB GLU A 43 -11.941 -22.257 18.610 1.00 20.41 C ATOM 384 CG GLU A 43 -13.396 -21.906 18.572 1.00 23.39 C ATOM 385 CD GLU A 43 -14.284 -23.047 19.035 1.00 32.17 C ATOM 386 OE1 GLU A 43 -15.520 -22.880 18.974 1.00 34.68 O ATOM 387 OE2 GLU A 43 -13.739 -24.108 19.444 1.00 34.97 O ATOM 388 H GLU A 43 -9.416 -22.336 18.962 1.00 0.00 H ATOM 389 N ILE A 44 -11.070 -19.979 20.452 1.00 17.27 N ATOM 390 CA ILE A 44 -11.396 -18.921 21.401 1.00 17.71 C ATOM 391 C ILE A 44 -10.673 -17.622 21.023 1.00 15.73 C ATOM 392 O ILE A 44 -11.269 -16.544 21.090 1.00 15.79 O ATOM 393 CB ILE A 44 -11.071 -19.324 22.851 1.00 18.98 C ATOM 394 CG1 ILE A 44 -12.012 -20.445 23.311 1.00 21.27 C ATOM 395 CG2 ILE A 44 -11.204 -18.098 23.789 1.00 19.88 C ATOM 396 CD1 ILE A 44 -11.620 -21.064 24.669 1.00 23.60 C ATOM 397 H ILE A 44 -10.556 -20.822 20.780 1.00 0.00 H ATOM 398 N LEU A 45 -9.413 -17.726 20.597 1.00 14.22 N ATOM 399 CA LEU A 45 -8.672 -16.530 20.207 1.00 12.76 C ATOM 400 C LEU A 45 -9.418 -15.794 19.095 1.00 11.53 C ATOM 401 O LEU A 45 -9.622 -14.577 19.156 1.00 11.00 O ATOM 402 CB LEU A 45 -7.251 -16.882 19.759 1.00 13.21 C ATOM 403 CG LEU A 45 -6.403 -15.690 19.326 1.00 12.43 C ATOM 404 CD1 LEU A 45 -6.189 -14.694 20.496 1.00 13.75 C ATOM 405 CD2 LEU A 45 -5.091 -16.204 18.820 1.00 13.60 C ATOM 406 H LEU A 45 -8.958 -18.660 20.543 1.00 0.00 H ATOM 407 N GLY A 46 -9.824 -16.547 18.079 1.00 11.21 N ATOM 408 CA GLY A 46 -10.624 -15.981 16.988 1.00 10.71 C ATOM 409 C GLY A 46 -11.825 -15.209 17.521 1.00 10.89 C ATOM 410 O GLY A 46 -12.063 -14.065 17.133 1.00 11.24 O ATOM 411 H GLY A 46 -9.570 -17.555 18.057 1.00 0.00 H ATOM 412 N GLU A 47 -12.589 -15.835 18.414 1.00 12.12 N ATOM 413 CA GLU A 47 -13.769 -15.194 19.020 1.00 13.25 C ATOM 414 C GLU A 47 -13.431 -13.925 19.801 1.00 12.52 C ATOM 415 O GLU A 47 -14.127 -12.905 19.680 1.00 13.12 O ATOM 416 CB GLU A 47 -14.495 -16.199 19.911 1.00 15.14 C ATOM 417 CG GLU A 47 -15.139 -17.309 19.082 1.00 17.08 C ATOM 418 CD GLU A 47 -15.493 -18.561 19.875 1.00 24.54 C ATOM 419 OE1 GLU A 47 -15.357 -18.577 21.119 1.00 26.34 O ATOM 420 OE2 GLU A 47 -15.901 -19.545 19.216 1.00 26.38 O ATOM 421 H GLU A 47 -12.345 -16.807 18.692 1.00 0.00 H ATOM 422 N LYS A 48 -12.345 -13.976 20.556 1.00 11.87 N ATOM 423 CA LYS A 48 -11.885 -12.815 21.329 1.00 12.12 C ATOM 424 C LYS A 48 -11.466 -11.655 20.414 1.00 10.31 C ATOM 425 O LYS A 48 -11.660 -10.473 20.749 1.00 11.26 O ATOM 426 CB LYS A 48 -10.722 -13.177 22.251 1.00 12.67 C ATOM 427 CG LYS A 48 -11.033 -14.244 23.296 1.00 16.59 C ATOM 428 CD LYS A 48 -11.889 -13.690 24.408 1.00 19.52 C ATOM 429 CE LYS A 48 -11.720 -14.539 25.667 1.00 21.43 C ATOM 430 NZ LYS A 48 -12.602 -14.012 26.732 1.00 22.82 N ATOM 431 HZ1 LYS A 48 -12.343 -13.026 26.938 1.00 0.00 H ATOM 432 HZ2 LYS A 48 -13.591 -14.053 26.413 1.00 0.00 H ATOM 433 HZ3 LYS A 48 -12.489 -14.588 27.591 1.00 0.00 H ATOM 434 H LYS A 48 -11.803 -14.862 20.603 1.00 0.00 H ATOM 435 N MET A 49 -10.870 -11.993 19.270 1.00 8.85 N ATOM 436 CA MET A 49 -10.459 -10.990 18.300 1.00 8.08 C ATOM 437 C MET A 49 -11.669 -10.299 17.683 1.00 7.70 C ATOM 438 O MET A 49 -11.705 -9.075 17.584 1.00 8.09 O ATOM 439 CB MET A 49 -9.553 -11.594 17.212 1.00 6.64 C ATOM 440 CG MET A 49 -8.193 -12.044 17.744 1.00 7.26 C ATOM 441 SD MET A 49 -7.309 -13.080 16.526 1.00 10.27 S ATOM 442 CE MET A 49 -7.110 -11.923 15.166 1.00 8.39 C ATOM 443 H MET A 49 -10.695 -12.998 19.066 1.00 0.00 H ATOM 444 N MET A 50 -12.662 -11.081 17.276 1.00 7.60 N ATOM 445 CA MET A 50 -13.888 -10.494 16.732 1.00 8.19 C ATOM 446 C MET A 50 -14.558 -9.629 17.822 1.00 9.14 C ATOM 447 O MET A 50 -15.035 -8.532 17.540 1.00 9.84 O ATOM 448 CB MET A 50 -14.848 -11.574 16.229 1.00 9.70 C ATOM 449 CG MET A 50 -16.131 -11.010 15.646 1.00 10.24 C ATOM 450 SD MET A 50 -15.877 -9.837 14.293 1.00 14.18 S ATOM 451 CE MET A 50 -15.211 -10.904 12.999 1.00 12.07 C ATOM 452 H MET A 50 -12.568 -12.115 17.344 1.00 0.00 H ATOM 453 N GLN A 51 -14.547 -10.120 19.061 1.00 9.86 N ATOM 454 CA GLN A 51 -15.135 -9.363 20.167 1.00 11.59 C ATOM 455 C GLN A 51 -14.455 -7.994 20.323 1.00 11.11 C ATOM 456 O GLN A 51 -15.120 -6.963 20.519 1.00 12.62 O ATOM 457 CB GLN A 51 -15.017 -10.167 21.458 1.00 12.77 C ATOM 458 CG GLN A 51 -15.641 -9.462 22.657 1.00 15.79 C ATOM 459 CD GLN A 51 -15.520 -10.295 23.921 1.00 18.59 C ATOM 460 OE1 GLN A 51 -14.449 -10.800 24.249 1.00 18.09 O ATOM 461 NE2 GLN A 51 -16.639 -10.463 24.625 1.00 22.35 N ATOM 462 HE22 GLN A 51 -17.524 -10.016 24.310 1.00 0.00 H ATOM 463 HE21 GLN A 51 -16.628 -11.041 25.490 1.00 0.00 H ATOM 464 H GLN A 51 -14.117 -11.049 19.243 1.00 0.00 H ATOM 465 N PHE A 52 -13.128 -7.989 20.216 1.00 10.12 N ATOM 466 CA PHE A 52 -12.358 -6.762 20.283 1.00 9.21 C ATOM 467 C PHE A 52 -12.846 -5.776 19.217 1.00 9.16 C ATOM 468 O PHE A 52 -13.051 -4.597 19.488 1.00 9.44 O ATOM 469 CB PHE A 52 -10.872 -7.040 20.101 1.00 9.51 C ATOM 470 CG PHE A 52 -10.063 -5.807 19.920 1.00 9.75 C ATOM 471 CD1 PHE A 52 -9.608 -5.085 21.030 1.00 12.10 C ATOM 472 CD2 PHE A 52 -9.781 -5.320 18.642 1.00 9.12 C ATOM 473 CE1 PHE A 52 -8.858 -3.919 20.864 1.00 13.98 C ATOM 474 CE2 PHE A 52 -9.036 -4.140 18.458 1.00 10.57 C ATOM 475 CZ PHE A 52 -8.577 -3.437 19.589 1.00 13.04 C ATOM 476 H PHE A 52 -12.629 -8.891 20.080 1.00 0.00 H ATOM 477 N LEU A 53 -13.054 -6.267 17.995 1.00 7.83 N ATOM 478 CA LEU A 53 -13.461 -5.357 16.929 1.00 8.37 C ATOM 479 C LEU A 53 -14.843 -4.782 17.212 1.00 10.24 C ATOM 480 O LEU A 53 -15.062 -3.579 17.058 1.00 10.95 O ATOM 481 CB LEU A 53 -13.422 -6.070 15.580 1.00 7.13 C ATOM 482 CG LEU A 53 -11.976 -6.374 15.134 1.00 5.71 C ATOM 483 CD1 LEU A 53 -12.078 -7.110 13.804 1.00 5.01 C ATOM 484 CD2 LEU A 53 -11.112 -5.137 14.988 1.00 8.03 C ATOM 485 H LEU A 53 -12.928 -7.282 17.805 1.00 0.00 H ATOM 486 N LYS A 54 -15.744 -5.640 17.677 1.00 11.10 N ATOM 487 CA LYS A 54 -17.114 -5.226 18.031 1.00 13.28 C ATOM 488 C LYS A 54 -17.050 -4.154 19.107 1.00 14.00 C ATOM 489 O LYS A 54 -17.647 -3.093 18.963 1.00 14.87 O ATOM 490 CB LYS A 54 -17.936 -6.428 18.487 1.00 14.68 C ATOM 491 CG LYS A 54 -18.292 -7.375 17.323 1.00 16.68 C ATOM 492 CD LYS A 54 -19.725 -7.232 16.862 1.00 23.78 C ATOM 493 CE LYS A 54 -19.935 -8.012 15.576 1.00 26.15 C ATOM 494 NZ LYS A 54 -21.076 -8.958 15.664 1.00 31.04 N ATOM 495 HZ1 LYS A 54 -20.900 -9.641 16.428 1.00 0.00 H ATOM 496 HZ2 LYS A 54 -21.949 -8.429 15.864 1.00 0.00 H ATOM 497 HZ3 LYS A 54 -21.175 -9.464 14.761 1.00 0.00 H ATOM 498 H LYS A 54 -15.474 -6.637 17.795 1.00 0.00 H ATOM 499 N HIS A 55 -16.239 -4.400 20.130 1.00 13.47 N ATOM 500 CA HIS A 55 -16.080 -3.431 21.223 1.00 15.25 C ATOM 501 C HIS A 55 -15.463 -2.118 20.780 1.00 15.94 C ATOM 502 O HIS A 55 -15.894 -1.047 21.218 1.00 17.70 O ATOM 503 CB HIS A 55 -15.230 -4.031 22.324 1.00 15.03 C ATOM 504 CG HIS A 55 -15.946 -5.062 23.128 1.00 16.05 C ATOM 505 ND1 HIS A 55 -15.288 -5.934 23.968 1.00 16.81 N ATOM 506 CD2 HIS A 55 -17.265 -5.367 23.220 1.00 17.61 C ATOM 507 CE1 HIS A 55 -16.173 -6.721 24.556 1.00 17.46 C ATOM 508 NE2 HIS A 55 -17.376 -6.404 24.114 1.00 18.49 N ATOM 509 H HIS A 55 -15.708 -5.294 20.158 1.00 0.00 H ATOM 510 N SER A 56 -14.477 -2.198 19.882 1.00 15.31 N ATOM 511 CA SER A 56 -13.802 -1.013 19.364 1.00 16.33 C ATOM 512 C SER A 56 -14.758 -0.113 18.588 1.00 17.70 C ATOM 513 O SER A 56 -14.527 1.090 18.482 1.00 18.23 O ATOM 514 CB SER A 56 -12.611 -1.422 18.470 1.00 14.85 C ATOM 515 OG SER A 56 -13.059 -1.729 17.165 1.00 14.65 O ATOM 516 HG SER A 56 -13.705 -2.478 17.207 1.00 0.00 H ATOM 517 H SER A 56 -14.181 -3.135 19.541 1.00 0.00 H ATOM 518 N GLN A 57 -15.818 -0.710 18.040 1.00 18.32 N ATOM 519 CA GLN A 57 -16.791 0.026 17.235 1.00 20.84 C ATOM 520 C GLN A 57 -18.009 0.479 18.045 1.00 23.60 C ATOM 521 O GLN A 57 -18.836 1.238 17.539 1.00 25.59 O ATOM 522 CB GLN A 57 -17.224 -0.818 16.026 1.00 19.82 C ATOM 523 CG GLN A 57 -16.076 -1.097 15.058 1.00 17.09 C ATOM 524 CD GLN A 57 -16.484 -1.959 13.898 1.00 16.73 C ATOM 525 OE1 GLN A 57 -17.672 -2.206 13.680 1.00 17.03 O ATOM 526 NE2 GLN A 57 -15.495 -2.433 13.138 1.00 16.42 N ATOM 527 HE22 GLN A 57 -14.507 -2.196 13.363 1.00 0.00 H ATOM 528 HE21 GLN A 57 -15.712 -3.039 12.321 1.00 0.00 H ATOM 529 H GLN A 57 -15.956 -1.730 18.190 1.00 0.00 H ATOM 530 N ASP A 58 -18.107 0.014 19.290 1.00 25.37 N ATOM 531 CA ASP A 58 -19.234 0.320 20.178 1.00 28.14 C ATOM 532 C ASP A 58 -18.876 1.514 21.063 1.00 29.68 C ATOM 533 O ASP A 58 -17.902 1.441 21.816 1.00 29.19 O ATOM 534 CB ASP A 58 -19.535 -0.891 21.055 1.00 28.70 C ATOM 535 CG ASP A 58 -20.714 -0.664 21.975 1.00 33.05 C ATOM 536 OD1 ASP A 58 -20.512 -0.704 23.210 1.00 35.82 O ATOM 537 OD2 ASP A 58 -21.835 -0.439 21.460 1.00 36.26 O ATOM 538 H ASP A 58 -17.346 -0.597 19.650 1.00 0.00 H ATOM 539 N PRO A 59 -19.654 2.616 20.982 1.00 31.44 N ATOM 540 CA PRO A 59 -19.271 3.832 21.723 1.00 32.88 C ATOM 541 C PRO A 59 -19.036 3.584 23.217 1.00 33.36 C ATOM 542 O PRO A 59 -18.046 4.085 23.766 1.00 34.44 O ATOM 543 CB PRO A 59 -20.464 4.769 21.500 1.00 34.58 C ATOM 544 CG PRO A 59 -21.051 4.310 20.192 1.00 33.62 C ATOM 545 CD PRO A 59 -20.907 2.813 20.218 1.00 32.48 C ATOM 546 N ILE A 60 -19.898 2.787 23.849 1.00 33.93 N ATOM 547 CA ILE A 60 -19.764 2.513 25.287 1.00 34.52 C ATOM 548 C ILE A 60 -18.560 1.631 25.613 1.00 31.97 C ATOM 549 O ILE A 60 -17.728 1.980 26.467 1.00 31.33 O ATOM 550 CB ILE A 60 -21.017 1.845 25.897 1.00 35.85 C ATOM 551 CG1 ILE A 60 -22.246 2.744 25.714 1.00 38.56 C ATOM 552 CG2 ILE A 60 -20.783 1.540 27.395 1.00 36.36 C ATOM 553 CD1 ILE A 60 -23.584 2.025 25.963 1.00 39.97 C ATOM 554 H ILE A 60 -20.678 2.352 23.316 1.00 0.00 H ATOM 555 N MET A 61 -18.483 0.474 24.962 1.00 28.92 N ATOM 556 CA MET A 61 -17.408 -0.459 25.266 1.00 26.83 C ATOM 557 C MET A 61 -16.040 0.105 24.856 1.00 24.92 C ATOM 558 O MET A 61 -15.044 -0.142 25.538 1.00 23.94 O ATOM 559 CB MET A 61 -17.682 -1.845 24.659 1.00 26.36 C ATOM 560 CG MET A 61 -18.778 -2.642 25.386 1.00 27.37 C ATOM 561 SD MET A 61 -18.443 -2.958 27.155 1.00 33.31 S ATOM 562 CE MET A 61 -16.872 -3.791 27.152 1.00 30.08 C ATOM 563 H MET A 61 -19.190 0.236 24.237 1.00 0.00 H ATOM 564 N ALA A 62 -15.977 0.880 23.767 1.00 23.61 N ATOM 565 CA ALA A 62 -14.692 1.469 23.383 1.00 23.26 C ATOM 566 C ALA A 62 -14.211 2.402 24.498 1.00 24.81 C ATOM 567 O ALA A 62 -13.033 2.418 24.854 1.00 24.99 O ATOM 568 CB ALA A 62 -14.785 2.220 22.057 1.00 22.59 C ATOM 569 H ALA A 62 -16.830 1.062 23.200 1.00 0.00 H ATOM 570 N GLU A 63 -15.157 3.152 25.058 1.00 26.83 N ATOM 571 CA GLU A 63 -14.886 4.073 26.162 1.00 29.09 C ATOM 572 C GLU A 63 -14.500 3.362 27.455 1.00 28.77 C ATOM 573 O GLU A 63 -13.512 3.749 28.096 1.00 29.47 O ATOM 574 CB GLU A 63 -16.085 4.992 26.379 1.00 31.68 C ATOM 575 CG GLU A 63 -16.011 6.240 25.544 1.00 36.31 C ATOM 576 CD GLU A 63 -14.896 7.181 26.006 1.00 43.22 C ATOM 577 OE1 GLU A 63 -14.376 7.020 27.147 1.00 46.94 O ATOM 578 OE2 GLU A 63 -14.540 8.093 25.225 1.00 47.01 O ATOM 579 H GLU A 63 -16.129 3.080 24.696 1.00 0.00 H ATOM 580 N LYS A 64 -15.246 2.319 27.827 1.00 27.63 N ATOM 581 CA LYS A 64 -14.902 1.527 29.022 1.00 28.23 C ATOM 582 C LYS A 64 -13.512 0.904 28.933 1.00 27.17 C ATOM 583 O LYS A 64 -12.778 0.847 29.930 1.00 28.15 O ATOM 584 CB LYS A 64 -15.928 0.424 29.302 1.00 28.36 C ATOM 585 CG LYS A 64 -17.271 0.915 29.812 1.00 31.01 C ATOM 586 CD LYS A 64 -18.140 -0.253 30.215 1.00 31.16 C ATOM 587 CE LYS A 64 -19.466 0.227 30.780 1.00 37.01 C ATOM 588 NZ LYS A 64 -20.273 -0.928 31.256 1.00 40.26 N ATOM 589 HZ1 LYS A 64 -20.456 -1.573 30.461 1.00 0.00 H ATOM 590 HZ2 LYS A 64 -19.749 -1.432 32.000 1.00 0.00 H ATOM 591 HZ3 LYS A 64 -21.176 -0.584 31.639 1.00 0.00 H ATOM 592 H LYS A 64 -16.082 2.061 27.265 1.00 0.00 H ATOM 593 N LEU A 65 -13.143 0.436 27.739 1.00 24.69 N ATOM 594 CA LEU A 65 -11.916 -0.338 27.604 1.00 24.11 C ATOM 595 C LEU A 65 -10.743 0.479 27.068 1.00 23.27 C ATOM 596 O LEU A 65 -9.598 -0.013 27.050 1.00 23.89 O ATOM 597 CB LEU A 65 -12.165 -1.568 26.733 1.00 22.50 C ATOM 598 CG LEU A 65 -13.161 -2.618 27.248 1.00 23.25 C ATOM 599 CD1 LEU A 65 -13.255 -3.745 26.239 1.00 23.77 C ATOM 600 CD2 LEU A 65 -12.776 -3.161 28.640 1.00 25.53 C ATOM 601 H LEU A 65 -13.732 0.624 26.903 1.00 0.00 H ATOM 602 N GLY A 66 -11.013 1.717 26.658 1.00 24.06 N ATOM 603 CA GLY A 66 -9.967 2.617 26.148 1.00 24.14 C ATOM 604 C GLY A 66 -9.489 2.218 24.764 1.00 23.58 C ATOM 605 O GLY A 66 -8.290 2.239 24.478 1.00 22.65 O ATOM 606 H GLY A 66 -11.994 2.058 26.700 1.00 0.00 H ATOM 607 N LEU A 67 -10.447 1.876 23.907 1.00 23.12 N ATOM 608 CA LEU A 67 -10.145 1.239 22.623 1.00 22.82 C ATOM 609 C LEU A 67 -10.029 2.214 21.490 1.00 23.48 C ATOM 610 O LEU A 67 -10.880 3.080 21.314 1.00 25.07 O ATOM 611 CB LEU A 67 -11.225 0.219 22.267 1.00 22.05 C ATOM 612 CG LEU A 67 -10.970 -1.240 22.651 1.00 22.61 C ATOM 613 CD1 LEU A 67 -9.984 -1.446 23.823 1.00 22.32 C ATOM 614 CD2 LEU A 67 -12.249 -2.042 22.789 1.00 21.18 C ATOM 615 H LEU A 67 -11.439 2.066 24.156 1.00 0.00 H ATOM 616 N ARG A 68 -8.971 2.034 20.709 1.00 23.43 N ATOM 617 CA ARG A 68 -8.852 2.654 19.405 1.00 24.30 C ATOM 618 C ARG A 68 -9.717 1.848 18.417 1.00 22.96 C ATOM 619 O ARG A 68 -9.657 0.613 18.388 1.00 22.32 O ATOM 620 CB ARG A 68 -7.389 2.634 18.989 1.00 24.22 C ATOM 621 CG ARG A 68 -7.043 3.561 17.861 1.00 27.99 C ATOM 622 CD ARG A 68 -5.543 3.637 17.750 1.00 31.72 C ATOM 623 NE ARG A 68 -5.145 3.946 16.384 1.00 33.76 N ATOM 624 CZ ARG A 68 -3.898 3.872 15.926 1.00 33.06 C ATOM 625 NH1 ARG A 68 -2.899 3.491 16.724 1.00 31.55 N ATOM 626 NH2 ARG A 68 -3.661 4.187 14.659 1.00 33.24 N ATOM 627 HE ARG A 68 -5.887 4.245 15.720 1.00 0.00 H ATOM 628 HH12 ARG A 68 -1.929 3.437 16.353 1.00 0.00 H ATOM 629 HH11 ARG A 68 -3.090 3.248 17.717 1.00 0.00 H ATOM 630 HH22 ARG A 68 -2.693 4.135 14.283 1.00 0.00 H ATOM 631 HH21 ARG A 68 -4.443 4.486 14.042 1.00 0.00 H ATOM 632 H ARG A 68 -8.198 1.425 21.046 1.00 0.00 H ATOM 633 N GLY A 69 -10.531 2.555 17.634 1.00 22.55 N ATOM 634 CA GLY A 69 -11.419 1.935 16.657 1.00 21.29 C ATOM 635 C GLY A 69 -10.672 1.166 15.591 1.00 19.12 C ATOM 636 O GLY A 69 -9.623 1.609 15.093 1.00 19.44 O ATOM 637 H GLY A 69 -10.533 3.591 17.723 1.00 0.00 H ATOM 638 N GLY A 70 -11.210 0.002 15.236 1.00 17.16 N ATOM 639 CA GLY A 70 -10.578 -0.824 14.218 1.00 14.01 C ATOM 640 C GLY A 70 -11.596 -1.551 13.367 1.00 12.27 C ATOM 641 O GLY A 70 -12.742 -1.767 13.787 1.00 12.90 O ATOM 642 H GLY A 70 -12.089 -0.320 15.689 1.00 0.00 H ATOM 643 N VAL A 71 -11.171 -1.922 12.162 1.00 9.24 N ATOM 644 CA VAL A 71 -12.001 -2.801 11.308 1.00 7.94 C ATOM 645 C VAL A 71 -11.313 -4.152 11.026 1.00 7.17 C ATOM 646 O VAL A 71 -11.862 -5.006 10.321 1.00 6.81 O ATOM 647 CB VAL A 71 -12.360 -2.113 9.961 1.00 7.55 C ATOM 648 CG1 VAL A 71 -13.330 -0.945 10.184 1.00 9.45 C ATOM 649 CG2 VAL A 71 -11.096 -1.664 9.239 1.00 7.89 C ATOM 650 H VAL A 71 -10.247 -1.591 11.817 1.00 0.00 H ATOM 651 N GLY A 72 -10.121 -4.350 11.580 1.00 6.38 N ATOM 652 CA GLY A 72 -9.386 -5.597 11.350 1.00 4.74 C ATOM 653 C GLY A 72 -8.364 -5.779 12.450 1.00 4.81 C ATOM 654 O GLY A 72 -7.974 -4.803 13.109 1.00 5.18 O ATOM 655 H GLY A 72 -9.705 -3.612 12.183 1.00 0.00 H ATOM 656 N LEU A 73 -7.993 -7.027 12.686 1.00 3.92 N ATOM 657 CA LEU A 73 -7.006 -7.386 13.707 1.00 4.92 C ATOM 658 C LEU A 73 -6.362 -8.713 13.303 1.00 4.87 C ATOM 659 O LEU A 73 -7.059 -9.646 12.892 1.00 5.30 O ATOM 660 CB LEU A 73 -7.686 -7.538 15.086 1.00 5.29 C ATOM 661 CG LEU A 73 -6.760 -7.840 16.279 1.00 7.49 C ATOM 662 CD1 LEU A 73 -5.821 -6.655 16.583 1.00 9.32 C ATOM 663 CD2 LEU A 73 -7.587 -8.250 17.496 1.00 9.40 C ATOM 664 H LEU A 73 -8.422 -7.788 12.121 1.00 0.00 H ATOM 665 N ALA A 74 -5.042 -8.813 13.459 1.00 4.24 N ATOM 666 CA ALA A 74 -4.349 -10.031 13.117 1.00 4.72 C ATOM 667 C ALA A 74 -3.666 -10.603 14.366 1.00 5.41 C ATOM 668 O ALA A 74 -3.173 -9.830 15.198 1.00 6.58 O ATOM 669 CB ALA A 74 -3.335 -9.733 12.029 1.00 4.12 C ATOM 670 H ALA A 74 -4.506 -8.004 13.832 1.00 0.00 H ATOM 671 N ALA A 75 -3.622 -11.930 14.481 1.00 4.82 N ATOM 672 CA ALA A 75 -3.042 -12.563 15.682 1.00 6.40 C ATOM 673 C ALA A 75 -1.627 -12.086 16.017 1.00 6.60 C ATOM 674 O ALA A 75 -1.316 -11.880 17.186 1.00 7.88 O ATOM 675 CB ALA A 75 -3.101 -14.064 15.587 1.00 6.80 C ATOM 676 H ALA A 75 -4.000 -12.526 13.717 1.00 0.00 H ATOM 677 N PRO A 76 -0.743 -11.933 15.015 1.00 5.89 N ATOM 678 CA PRO A 76 0.574 -11.350 15.353 1.00 6.08 C ATOM 679 C PRO A 76 0.577 -10.043 16.177 1.00 7.15 C ATOM 680 O PRO A 76 1.524 -9.796 16.921 1.00 8.80 O ATOM 681 CB PRO A 76 1.216 -11.110 13.974 1.00 7.34 C ATOM 682 CG PRO A 76 0.664 -12.205 13.141 1.00 5.58 C ATOM 683 CD PRO A 76 -0.794 -12.351 13.594 1.00 6.15 C ATOM 684 N GLN A 77 -0.452 -9.208 16.028 1.00 6.15 N ATOM 685 CA GLN A 77 -0.549 -7.967 16.810 1.00 6.49 C ATOM 686 C GLN A 77 -0.815 -8.240 18.280 1.00 7.52 C ATOM 687 O GLN A 77 -0.731 -7.306 19.090 1.00 9.26 O ATOM 688 CB GLN A 77 -1.671 -7.101 16.261 1.00 5.88 C ATOM 689 CG GLN A 77 -1.346 -6.543 14.906 1.00 5.96 C ATOM 690 CD GLN A 77 -2.516 -5.772 14.340 1.00 7.82 C ATOM 691 OE1 GLN A 77 -3.476 -6.367 13.857 1.00 8.46 O ATOM 692 NE2 GLN A 77 -2.441 -4.448 14.389 1.00 10.78 N ATOM 693 HE22 GLN A 77 -1.607 -3.990 14.808 1.00 0.00 H ATOM 694 HE21 GLN A 77 -3.216 -3.869 14.008 1.00 0.00 H ATOM 695 H GLN A 77 -1.201 -9.439 15.345 1.00 0.00 H ATOM 696 N LEU A 78 -1.217 -9.472 18.598 1.00 8.59 N ATOM 697 CA LEU A 78 -1.440 -9.904 19.990 1.00 10.05 C ATOM 698 C LEU A 78 -0.260 -10.740 20.477 1.00 11.47 C ATOM 699 O LEU A 78 -0.338 -11.378 21.536 1.00 12.88 O ATOM 700 CB LEU A 78 -2.758 -10.693 20.138 1.00 9.82 C ATOM 701 CG LEU A 78 -4.043 -9.968 19.685 1.00 9.22 C ATOM 702 CD1 LEU A 78 -5.197 -10.942 19.549 1.00 12.14 C ATOM 703 CD2 LEU A 78 -4.383 -8.861 20.667 1.00 9.74 C ATOM 704 H LEU A 78 -1.380 -10.156 17.832 1.00 0.00 H ATOM 705 N ASP A 79 0.824 -10.726 19.702 1.00 11.77 N ATOM 706 CA ASP A 79 2.036 -11.519 19.976 1.00 13.48 C ATOM 707 C ASP A 79 1.853 -13.037 19.761 1.00 13.40 C ATOM 708 O ASP A 79 2.577 -13.862 20.355 1.00 15.36 O ATOM 709 CB ASP A 79 2.558 -11.241 21.398 1.00 14.96 C ATOM 710 CG ASP A 79 4.036 -11.463 21.518 1.00 18.73 C ATOM 711 OD1 ASP A 79 4.758 -11.304 20.498 1.00 21.44 O ATOM 712 OD2 ASP A 79 4.487 -11.794 22.644 1.00 25.75 O ATOM 713 H ASP A 79 0.814 -10.121 18.856 1.00 0.00 H ATOM 714 N ILE A 80 0.904 -13.395 18.887 1.00 11.96 N ATOM 715 CA ILE A 80 0.590 -14.784 18.575 1.00 11.49 C ATOM 716 C ILE A 80 0.893 -14.985 17.091 1.00 9.79 C ATOM 717 O ILE A 80 0.178 -14.447 16.234 1.00 8.12 O ATOM 718 CB ILE A 80 -0.898 -15.118 18.850 1.00 11.71 C ATOM 719 CG1 ILE A 80 -1.283 -14.814 20.302 1.00 14.85 C ATOM 720 CG2 ILE A 80 -1.208 -16.576 18.565 1.00 12.48 C ATOM 721 CD1 ILE A 80 -0.463 -15.560 21.277 1.00 19.77 C ATOM 722 H ILE A 80 0.365 -12.646 18.408 1.00 0.00 H ATOM 723 N SER A 81 1.936 -15.753 16.804 1.00 9.78 N ATOM 724 CA SER A 81 2.419 -15.872 15.439 1.00 8.48 C ATOM 725 C SER A 81 1.695 -16.993 14.704 1.00 8.31 C ATOM 726 O SER A 81 2.301 -18.024 14.325 1.00 9.23 O ATOM 727 CB SER A 81 3.936 -16.070 15.415 1.00 10.25 C ATOM 728 OG SER A 81 4.418 -15.932 14.098 1.00 9.64 O ATOM 729 HG SER A 81 4.201 -15.026 13.762 1.00 0.00 H ATOM 730 H SER A 81 2.414 -16.276 17.565 1.00 0.00 H ATOM 731 N LYS A 82 0.395 -16.771 14.499 1.00 7.50 N ATOM 732 CA LYS A 82 -0.496 -17.698 13.795 1.00 7.95 C ATOM 733 C LYS A 82 -1.307 -16.977 12.713 1.00 5.90 C ATOM 734 O LYS A 82 -1.573 -15.783 12.838 1.00 4.87 O ATOM 735 CB LYS A 82 -1.445 -18.377 14.781 1.00 7.90 C ATOM 736 CG LYS A 82 -0.707 -19.281 15.807 1.00 11.72 C ATOM 737 CD LYS A 82 -1.659 -20.167 16.586 1.00 15.60 C ATOM 738 CE LYS A 82 -0.837 -21.143 17.460 1.00 20.95 C ATOM 739 NZ LYS A 82 -1.654 -22.228 18.045 1.00 26.90 N ATOM 740 HZ1 LYS A 82 -2.397 -21.816 18.645 1.00 0.00 H ATOM 741 HZ2 LYS A 82 -2.092 -22.781 17.281 1.00 0.00 H ATOM 742 HZ3 LYS A 82 -1.046 -22.847 18.619 1.00 0.00 H ATOM 743 H LYS A 82 -0.011 -15.885 14.861 1.00 0.00 H ATOM 744 N ARG A 83 -1.676 -17.716 11.662 1.00 5.62 N ATOM 745 CA ARG A 83 -2.372 -17.142 10.506 1.00 4.88 C ATOM 746 C ARG A 83 -3.865 -17.060 10.810 1.00 4.93 C ATOM 747 O ARG A 83 -4.677 -17.857 10.320 1.00 5.19 O ATOM 748 CB ARG A 83 -2.068 -17.968 9.252 1.00 5.43 C ATOM 749 CG ARG A 83 -0.585 -17.963 8.936 1.00 6.07 C ATOM 750 CD ARG A 83 -0.321 -18.695 7.604 1.00 9.16 C ATOM 751 NE ARG A 83 -0.547 -17.805 6.472 1.00 8.17 N ATOM 752 CZ ARG A 83 0.277 -16.813 6.133 1.00 10.29 C ATOM 753 NH1 ARG A 83 1.405 -16.597 6.819 1.00 9.61 N ATOM 754 NH2 ARG A 83 -0.028 -16.053 5.095 1.00 12.73 N ATOM 755 HE ARG A 83 -1.400 -17.952 5.896 1.00 0.00 H ATOM 756 HH12 ARG A 83 2.040 -15.820 6.545 1.00 0.00 H ATOM 757 HH11 ARG A 83 1.647 -17.206 7.626 1.00 0.00 H ATOM 758 HH22 ARG A 83 0.603 -15.275 4.817 1.00 0.00 H ATOM 759 HH21 ARG A 83 -0.899 -16.233 4.557 1.00 0.00 H ATOM 760 H ARG A 83 -1.462 -18.734 11.664 1.00 0.00 H ATOM 761 N ILE A 84 -4.192 -16.096 11.672 1.00 4.80 N ATOM 762 CA ILE A 84 -5.580 -15.856 12.091 1.00 5.70 C ATOM 763 C ILE A 84 -5.837 -14.353 11.989 1.00 4.50 C ATOM 764 O ILE A 84 -5.092 -13.552 12.538 1.00 3.58 O ATOM 765 CB ILE A 84 -5.835 -16.302 13.551 1.00 6.48 C ATOM 766 CG1 ILE A 84 -5.393 -17.764 13.779 1.00 7.91 C ATOM 767 CG2 ILE A 84 -7.317 -16.131 13.907 1.00 6.27 C ATOM 768 CD1 ILE A 84 -5.418 -18.191 15.273 1.00 9.16 C ATOM 769 H ILE A 84 -3.439 -15.494 12.061 1.00 0.00 H ATOM 770 N ILE A 85 -6.883 -13.974 11.250 1.00 4.02 N ATOM 771 CA ILE A 85 -7.282 -12.556 11.201 1.00 4.15 C ATOM 772 C ILE A 85 -8.785 -12.444 11.463 1.00 4.09 C ATOM 773 O ILE A 85 -9.541 -13.395 11.229 1.00 4.06 O ATOM 774 CB ILE A 85 -6.914 -11.864 9.875 1.00 3.83 C ATOM 775 CG1 ILE A 85 -7.756 -12.409 8.713 1.00 4.13 C ATOM 776 CG2 ILE A 85 -5.398 -12.004 9.582 1.00 4.34 C ATOM 777 CD1 ILE A 85 -7.420 -11.771 7.339 1.00 4.80 C ATOM 778 H ILE A 85 -7.418 -14.682 10.707 1.00 0.00 H ATOM 779 N ALA A 86 -9.181 -11.279 11.974 1.00 3.97 N ATOM 780 CA ALA A 86 -10.590 -10.942 12.113 1.00 3.77 C ATOM 781 C ALA A 86 -10.843 -9.642 11.360 1.00 4.31 C ATOM 782 O ALA A 86 -10.041 -8.709 11.423 1.00 4.25 O ATOM 783 CB ALA A 86 -10.963 -10.789 13.602 1.00 5.55 C ATOM 784 H ALA A 86 -8.464 -10.592 12.282 1.00 0.00 H ATOM 785 N VAL A 87 -11.967 -9.586 10.646 1.00 4.38 N ATOM 786 CA VAL A 87 -12.311 -8.382 9.895 1.00 5.37 C ATOM 787 C VAL A 87 -13.775 -8.072 10.155 1.00 6.45 C ATOM 788 O VAL A 87 -14.610 -8.981 10.189 1.00 6.02 O ATOM 789 CB VAL A 87 -12.050 -8.547 8.370 1.00 6.01 C ATOM 790 CG1 VAL A 87 -10.531 -8.626 8.104 1.00 5.94 C ATOM 791 CG2 VAL A 87 -12.745 -9.785 7.805 1.00 7.78 C ATOM 792 H VAL A 87 -12.605 -10.407 10.624 1.00 0.00 H ATOM 793 N LEU A 88 -14.067 -6.791 10.330 1.00 6.69 N ATOM 794 CA LEU A 88 -15.417 -6.341 10.660 1.00 8.10 C ATOM 795 C LEU A 88 -15.584 -4.948 10.080 1.00 8.92 C ATOM 796 O LEU A 88 -15.169 -3.969 10.691 1.00 9.08 O ATOM 797 CB LEU A 88 -15.594 -6.299 12.175 1.00 8.88 C ATOM 798 CG LEU A 88 -17.020 -6.008 12.656 1.00 11.57 C ATOM 799 CD1 LEU A 88 -17.933 -7.190 12.340 1.00 11.22 C ATOM 800 CD2 LEU A 88 -17.033 -5.686 14.145 1.00 12.60 C ATOM 801 H LEU A 88 -13.311 -6.084 10.229 1.00 0.00 H ATOM 802 N VAL A 89 -16.176 -4.866 8.893 1.00 9.28 N ATOM 803 CA VAL A 89 -16.294 -3.598 8.178 1.00 10.14 C ATOM 804 C VAL A 89 -17.766 -3.192 8.165 1.00 11.89 C ATOM 805 O VAL A 89 -18.581 -3.837 7.489 1.00 12.37 O ATOM 806 CB VAL A 89 -15.793 -3.706 6.720 1.00 9.55 C ATOM 807 CG1 VAL A 89 -15.899 -2.351 6.028 1.00 10.86 C ATOM 808 CG2 VAL A 89 -14.362 -4.220 6.655 1.00 10.32 C ATOM 809 H VAL A 89 -16.566 -5.728 8.462 1.00 0.00 H ATOM 810 N PRO A 90 -18.122 -2.154 8.943 1.00 12.97 N ATOM 811 CA PRO A 90 -19.532 -1.764 9.042 1.00 14.70 C ATOM 812 C PRO A 90 -20.041 -0.992 7.830 1.00 15.46 C ATOM 813 O PRO A 90 -19.297 -0.235 7.212 1.00 15.63 O ATOM 814 CB PRO A 90 -19.573 -0.861 10.279 1.00 16.25 C ATOM 815 CG PRO A 90 -18.185 -0.344 10.434 1.00 15.18 C ATOM 816 CD PRO A 90 -17.246 -1.354 9.822 1.00 13.62 C ATOM 817 N ASN A 91 -21.313 -1.197 7.494 1.00 17.13 N ATOM 818 CA ASN A 91 -21.995 -0.315 6.556 1.00 19.47 C ATOM 819 C ASN A 91 -22.465 0.908 7.334 1.00 21.24 C ATOM 820 O ASN A 91 -22.527 0.859 8.557 1.00 22.02 O ATOM 821 CB ASN A 91 -23.188 -1.026 5.911 1.00 19.26 C ATOM 822 CG ASN A 91 -22.766 -2.020 4.858 1.00 19.69 C ATOM 823 OD1 ASN A 91 -23.321 -3.124 4.761 1.00 21.45 O ATOM 824 ND2 ASN A 91 -21.778 -1.640 4.055 1.00 18.89 N ATOM 825 HD22 ASN A 91 -21.342 -0.703 4.174 1.00 0.00 H ATOM 826 HD21 ASN A 91 -21.440 -2.279 3.307 1.00 0.00 H ATOM 827 H ASN A 91 -21.828 -2.000 7.908 1.00 0.00 H ATOM 828 N VAL A 92 -22.815 1.974 6.622 1.00 23.01 N ATOM 829 CA VAL A 92 -23.147 3.248 7.249 1.00 25.70 C ATOM 830 C VAL A 92 -24.636 3.578 7.109 1.00 27.06 C ATOM 831 O VAL A 92 -25.279 3.158 6.140 1.00 27.44 O ATOM 832 CB VAL A 92 -22.252 4.352 6.647 1.00 25.96 C ATOM 833 CG1 VAL A 92 -22.805 5.746 6.878 1.00 30.50 C ATOM 834 CG2 VAL A 92 -20.841 4.228 7.237 1.00 26.41 C ATOM 835 H VAL A 92 -22.853 1.897 5.586 1.00 0.00 H ATOM 836 N GLU A 93 -25.170 4.309 8.090 1.00 27.87 N ATOM 837 CA GLU A 93 -26.545 4.812 8.048 1.00 30.44 C ATOM 838 C GLU A 93 -26.758 5.745 6.857 1.00 30.07 C ATOM 839 O GLU A 93 -25.813 6.337 6.355 1.00 29.32 O ATOM 840 CB GLU A 93 -26.861 5.578 9.329 1.00 31.57 C ATOM 841 CG GLU A 93 -27.031 4.705 10.563 1.00 33.05 C ATOM 842 CD GLU A 93 -27.559 5.493 11.756 1.00 36.16 C ATOM 843 OE1 GLU A 93 -27.404 6.738 11.753 1.00 40.60 O ATOM 844 OE2 GLU A 93 -28.135 4.863 12.684 1.00 40.97 O ATOM 845 H GLU A 93 -24.584 4.531 8.920 1.00 0.00 H ATOM 846 N ASP A 94 -28.000 5.885 6.405 1.00 30.61 N ATOM 847 CA ASP A 94 -28.277 6.851 5.348 1.00 30.81 C ATOM 848 C ASP A 94 -28.420 8.269 5.949 1.00 32.10 C ATOM 849 O ASP A 94 -28.328 8.437 7.161 1.00 31.95 O ATOM 850 CB ASP A 94 -29.497 6.418 4.500 1.00 31.65 C ATOM 851 CG ASP A 94 -30.777 6.330 5.298 1.00 32.76 C ATOM 852 OD1 ASP A 94 -30.919 7.050 6.309 1.00 33.34 O ATOM 853 OD2 ASP A 94 -31.670 5.560 4.874 1.00 34.36 O ATOM 854 H ASP A 94 -28.770 5.309 6.803 1.00 0.00 H ATOM 855 N ALA A 95 -28.646 9.272 5.100 1.00 33.49 N ATOM 856 CA ALA A 95 -28.790 10.662 5.555 1.00 35.77 C ATOM 857 C ALA A 95 -29.995 10.891 6.478 1.00 37.69 C ATOM 858 O ALA A 95 -30.053 11.884 7.211 1.00 40.37 O ATOM 859 CB ALA A 95 -28.835 11.603 4.356 1.00 36.48 C ATOM 860 H ALA A 95 -28.723 9.064 4.084 1.00 0.00 H ATOM 861 N GLN A 96 -30.944 9.961 6.460 1.00 37.32 N ATOM 862 CA GLN A 96 -32.132 10.023 7.303 1.00 39.04 C ATOM 863 C GLN A 96 -31.933 9.314 8.655 1.00 37.56 C ATOM 864 O GLN A 96 -32.821 9.318 9.504 1.00 39.65 O ATOM 865 CB GLN A 96 -33.350 9.443 6.549 1.00 40.62 C ATOM 866 CG GLN A 96 -33.839 10.296 5.344 1.00 43.48 C ATOM 867 CD GLN A 96 -32.898 10.277 4.132 1.00 46.37 C ATOM 868 OE1 GLN A 96 -32.315 9.237 3.769 1.00 46.49 O ATOM 869 NE2 GLN A 96 -32.760 11.435 3.485 1.00 49.11 N ATOM 870 HE22 GLN A 96 -33.264 12.281 3.820 1.00 0.00 H ATOM 871 HE21 GLN A 96 -32.149 11.492 2.646 1.00 0.00 H ATOM 872 H GLN A 96 -30.834 9.152 5.815 1.00 0.00 H ATOM 873 N GLY A 97 -30.776 8.694 8.851 1.00 34.66 N ATOM 874 CA GLY A 97 -30.514 8.007 10.106 1.00 34.18 C ATOM 875 C GLY A 97 -30.979 6.564 10.112 1.00 33.12 C ATOM 876 O GLY A 97 -30.937 5.900 11.150 1.00 33.20 O ATOM 877 H GLY A 97 -30.053 8.699 8.103 1.00 0.00 H ATOM 878 N ASN A 98 -31.424 6.055 8.963 1.00 32.04 N ATOM 879 CA ASN A 98 -31.844 4.667 8.899 1.00 30.65 C ATOM 880 C ASN A 98 -30.653 3.721 8.869 1.00 28.08 C ATOM 881 O ASN A 98 -29.739 3.902 8.061 1.00 26.42 O ATOM 882 CB ASN A 98 -32.704 4.411 7.666 1.00 31.21 C ATOM 883 CG ASN A 98 -33.917 5.291 7.616 1.00 33.29 C ATOM 884 OD1 ASN A 98 -34.631 5.407 8.602 1.00 34.11 O ATOM 885 ND2 ASN A 98 -34.172 5.906 6.459 1.00 33.74 N ATOM 886 HD22 ASN A 98 -33.533 5.775 5.649 1.00 0.00 H ATOM 887 HD21 ASN A 98 -35.009 6.516 6.368 1.00 0.00 H ATOM 888 H ASN A 98 -31.470 6.652 8.113 1.00 0.00 H ATOM 889 N PRO A 99 -30.665 2.699 9.736 1.00 27.51 N ATOM 890 CA PRO A 99 -29.583 1.706 9.660 1.00 26.36 C ATOM 891 C PRO A 99 -29.505 1.062 8.278 1.00 26.04 C ATOM 892 O PRO A 99 -30.528 0.962 7.578 1.00 26.67 O ATOM 893 CB PRO A 99 -29.985 0.649 10.700 1.00 26.50 C ATOM 894 CG PRO A 99 -30.951 1.346 11.618 1.00 28.85 C ATOM 895 CD PRO A 99 -31.641 2.401 10.802 1.00 29.63 C ATOM 896 N PRO A 100 -28.311 0.610 7.874 1.00 24.58 N ATOM 897 CA PRO A 100 -28.171 -0.098 6.594 1.00 24.33 C ATOM 898 C PRO A 100 -28.907 -1.442 6.598 1.00 25.14 C ATOM 899 O PRO A 100 -29.168 -1.984 7.677 1.00 26.02 O ATOM 900 CB PRO A 100 -26.655 -0.302 6.482 1.00 22.38 C ATOM 901 CG PRO A 100 -26.195 -0.337 7.912 1.00 21.87 C ATOM 902 CD PRO A 100 -27.030 0.700 8.597 1.00 23.14 C ATOM 903 N LYS A 101 -29.247 -1.969 5.410 1.00 26.31 N ATOM 904 CA LYS A 101 -29.887 -3.299 5.303 1.00 28.10 C ATOM 905 C LYS A 101 -29.022 -4.372 5.933 1.00 26.69 C ATOM 906 O LYS A 101 -29.534 -5.259 6.606 1.00 28.51 O ATOM 907 CB LYS A 101 -30.101 -3.746 3.855 1.00 29.01 C ATOM 908 CG LYS A 101 -30.686 -2.759 2.915 1.00 33.07 C ATOM 909 CD LYS A 101 -30.540 -3.293 1.492 1.00 36.30 C ATOM 910 CE LYS A 101 -30.834 -2.197 0.481 1.00 42.04 C ATOM 911 NZ LYS A 101 -32.247 -2.297 0.045 1.00 44.83 N ATOM 912 HZ1 LYS A 101 -32.409 -3.227 -0.392 1.00 0.00 H ATOM 913 HZ2 LYS A 101 -32.871 -2.187 0.869 1.00 0.00 H ATOM 914 HZ3 LYS A 101 -32.449 -1.547 -0.647 1.00 0.00 H ATOM 915 H LYS A 101 -29.055 -1.428 4.543 1.00 0.00 H ATOM 916 N GLU A 102 -27.714 -4.287 5.664 1.00 24.77 N ATOM 917 CA GLU A 102 -26.700 -5.197 6.205 1.00 23.20 C ATOM 918 C GLU A 102 -25.858 -4.374 7.178 1.00 21.06 C ATOM 919 O GLU A 102 -25.324 -3.334 6.806 1.00 20.36 O ATOM 920 CB GLU A 102 -25.761 -5.672 5.077 1.00 22.62 C ATOM 921 CG GLU A 102 -26.397 -6.519 3.964 1.00 25.90 C ATOM 922 CD GLU A 102 -26.656 -7.934 4.412 1.00 27.64 C ATOM 923 OE1 GLU A 102 -27.161 -8.755 3.606 1.00 28.51 O ATOM 924 OE2 GLU A 102 -26.349 -8.232 5.590 1.00 28.60 O ATOM 925 H GLU A 102 -27.396 -3.526 5.030 1.00 0.00 H ATOM 926 N ALA A 103 -25.746 -4.842 8.412 1.00 20.42 N ATOM 927 CA ALA A 103 -24.921 -4.167 9.406 1.00 19.21 C ATOM 928 C ALA A 103 -23.447 -4.056 8.961 1.00 17.25 C ATOM 929 O ALA A 103 -22.792 -3.031 9.215 1.00 17.11 O ATOM 930 CB ALA A 103 -25.008 -4.894 10.724 1.00 19.30 C ATOM 931 H ALA A 103 -26.257 -5.708 8.677 1.00 0.00 H ATOM 932 N TYR A 104 -22.938 -5.116 8.322 1.00 16.27 N ATOM 933 CA TYR A 104 -21.528 -5.166 7.896 1.00 14.78 C ATOM 934 C TYR A 104 -21.391 -5.563 6.442 1.00 14.66 C ATOM 935 O TYR A 104 -22.151 -6.398 5.963 1.00 15.98 O ATOM 936 CB TYR A 104 -20.750 -6.174 8.753 1.00 14.43 C ATOM 937 CG TYR A 104 -20.873 -5.867 10.218 1.00 14.88 C ATOM 938 CD1 TYR A 104 -20.097 -4.868 10.802 1.00 14.16 C ATOM 939 CD2 TYR A 104 -21.782 -6.559 11.015 1.00 17.23 C ATOM 940 CE1 TYR A 104 -20.220 -4.558 12.150 1.00 16.00 C ATOM 941 CE2 TYR A 104 -21.916 -6.263 12.364 1.00 17.71 C ATOM 942 CZ TYR A 104 -21.135 -5.261 12.922 1.00 17.82 C ATOM 943 OH TYR A 104 -21.261 -4.979 14.263 1.00 19.52 O ATOM 944 HH TYR A 104 -20.641 -4.246 14.505 1.00 0.00 H ATOM 945 H TYR A 104 -23.555 -5.928 8.120 1.00 0.00 H ATOM 946 N SER A 105 -20.435 -4.959 5.743 1.00 14.21 N ATOM 947 CA SER A 105 -20.102 -5.397 4.379 1.00 14.04 C ATOM 948 C SER A 105 -19.204 -6.619 4.431 1.00 13.03 C ATOM 949 O SER A 105 -19.079 -7.350 3.448 1.00 12.94 O ATOM 950 CB SER A 105 -19.415 -4.290 3.575 1.00 14.52 C ATOM 951 OG SER A 105 -18.225 -3.852 4.210 1.00 15.65 O ATOM 952 HG SER A 105 -17.806 -3.138 3.667 1.00 0.00 H ATOM 953 H SER A 105 -19.915 -4.165 6.167 1.00 0.00 H ATOM 954 N LEU A 106 -18.561 -6.835 5.574 1.00 11.48 N ATOM 955 CA LEU A 106 -17.717 -8.015 5.754 1.00 11.06 C ATOM 956 C LEU A 106 -17.531 -8.252 7.247 1.00 10.29 C ATOM 957 O LEU A 106 -17.248 -7.323 7.992 1.00 10.93 O ATOM 958 CB LEU A 106 -16.366 -7.846 5.019 1.00 11.08 C ATOM 959 CG LEU A 106 -15.415 -9.056 4.986 1.00 11.06 C ATOM 960 CD1 LEU A 106 -16.044 -10.239 4.259 1.00 14.56 C ATOM 961 CD2 LEU A 106 -14.104 -8.655 4.330 1.00 11.31 C ATOM 962 H LEU A 106 -18.660 -6.153 6.353 1.00 0.00 H ATOM 963 N GLN A 107 -17.769 -9.489 7.672 1.00 10.42 N ATOM 964 CA GLN A 107 -17.630 -9.895 9.076 1.00 10.77 C ATOM 965 C GLN A 107 -17.151 -11.347 9.088 1.00 10.29 C ATOM 966 O GLN A 107 -17.899 -12.252 8.731 1.00 10.93 O ATOM 967 CB GLN A 107 -18.966 -9.775 9.829 1.00 12.02 C ATOM 968 CG GLN A 107 -18.912 -10.346 11.239 1.00 13.88 C ATOM 969 CD GLN A 107 -20.221 -10.231 12.020 1.00 17.41 C ATOM 970 OE1 GLN A 107 -21.298 -9.990 11.461 1.00 22.26 O ATOM 971 NE2 GLN A 107 -20.128 -10.442 13.331 1.00 22.56 N ATOM 972 HE22 GLN A 107 -19.202 -10.642 13.761 1.00 0.00 H ATOM 973 HE21 GLN A 107 -20.981 -10.407 13.925 1.00 0.00 H ATOM 974 H GLN A 107 -18.068 -10.203 6.977 1.00 0.00 H ATOM 975 N GLU A 108 -15.896 -11.573 9.470 1.00 9.05 N ATOM 976 CA GLU A 108 -15.357 -12.923 9.420 1.00 9.06 C ATOM 977 C GLU A 108 -14.114 -13.040 10.265 1.00 7.82 C ATOM 978 O GLU A 108 -13.357 -12.075 10.413 1.00 7.66 O ATOM 979 CB GLU A 108 -15.030 -13.327 7.967 1.00 9.40 C ATOM 980 CG GLU A 108 -14.636 -14.783 7.764 1.00 14.84 C ATOM 981 CD GLU A 108 -15.751 -15.756 8.103 1.00 21.77 C ATOM 982 OE1 GLU A 108 -16.472 -16.151 7.171 1.00 25.83 O ATOM 983 OE2 GLU A 108 -15.891 -16.137 9.291 1.00 23.87 O ATOM 984 H GLU A 108 -15.303 -10.787 9.803 1.00 0.00 H ATOM 985 N VAL A 109 -13.950 -14.222 10.842 1.00 6.86 N ATOM 986 CA VAL A 109 -12.671 -14.659 11.381 1.00 6.75 C ATOM 987 C VAL A 109 -12.110 -15.678 10.389 1.00 7.07 C ATOM 988 O VAL A 109 -12.740 -16.719 10.119 1.00 6.99 O ATOM 989 CB VAL A 109 -12.816 -15.280 12.779 1.00 8.14 C ATOM 990 CG1 VAL A 109 -11.462 -15.746 13.293 1.00 8.65 C ATOM 991 CG2 VAL A 109 -13.439 -14.249 13.748 1.00 8.66 C ATOM 992 H VAL A 109 -14.767 -14.862 10.912 1.00 0.00 H ATOM 993 N MET A 110 -10.951 -15.344 9.826 1.00 5.47 N ATOM 994 CA MET A 110 -10.358 -16.120 8.744 1.00 6.44 C ATOM 995 C MET A 110 -9.091 -16.799 9.229 1.00 6.10 C ATOM 996 O MET A 110 -8.214 -16.130 9.792 1.00 6.31 O ATOM 997 CB MET A 110 -10.009 -15.200 7.570 1.00 6.05 C ATOM 998 CG MET A 110 -11.188 -14.390 7.020 1.00 6.32 C ATOM 999 SD MET A 110 -10.602 -13.437 5.597 1.00 8.77 S ATOM 1000 CE MET A 110 -12.121 -12.639 5.031 1.00 9.65 C ATOM 1001 H MET A 110 -10.451 -14.500 10.170 1.00 0.00 H ATOM 1002 N TYR A 111 -8.994 -18.101 8.965 1.00 6.04 N ATOM 1003 CA TYR A 111 -7.820 -18.902 9.285 1.00 6.50 C ATOM 1004 C TYR A 111 -7.103 -19.231 7.984 1.00 7.23 C ATOM 1005 O TYR A 111 -7.764 -19.531 6.980 1.00 6.50 O ATOM 1006 CB TYR A 111 -8.257 -20.185 9.990 1.00 7.62 C ATOM 1007 CG TYR A 111 -8.860 -19.914 11.361 1.00 7.48 C ATOM 1008 CD1 TYR A 111 -10.206 -19.604 11.500 1.00 8.04 C ATOM 1009 CD2 TYR A 111 -8.056 -19.940 12.504 1.00 8.74 C ATOM 1010 CE1 TYR A 111 -10.760 -19.326 12.764 1.00 9.34 C ATOM 1011 CE2 TYR A 111 -8.595 -19.659 13.772 1.00 9.26 C ATOM 1012 CZ TYR A 111 -9.937 -19.354 13.885 1.00 10.60 C ATOM 1013 OH TYR A 111 -10.480 -19.085 15.123 1.00 11.92 O ATOM 1014 HH TYR A 111 -11.445 -18.888 15.023 1.00 0.00 H ATOM 1015 H TYR A 111 -9.800 -18.571 8.506 1.00 0.00 H ATOM 1016 N ASN A 112 -5.772 -19.182 8.008 1.00 6.67 N ATOM 1017 CA ASN A 112 -4.939 -19.387 6.819 1.00 7.37 C ATOM 1018 C ASN A 112 -5.436 -18.641 5.572 1.00 7.25 C ATOM 1019 O ASN A 112 -5.509 -19.221 4.482 1.00 7.25 O ATOM 1020 CB ASN A 112 -4.779 -20.886 6.551 1.00 8.11 C ATOM 1021 CG ASN A 112 -4.260 -21.633 7.761 1.00 9.29 C ATOM 1022 OD1 ASN A 112 -3.499 -21.072 8.553 1.00 10.15 O ATOM 1023 ND2 ASN A 112 -4.668 -22.897 7.918 1.00 10.77 N ATOM 1024 HD22 ASN A 112 -5.311 -23.326 7.222 1.00 0.00 H ATOM 1025 HD21 ASN A 112 -4.343 -23.451 8.736 1.00 0.00 H ATOM 1026 H ASN A 112 -5.301 -18.989 8.915 1.00 0.00 H ATOM 1027 N PRO A 113 -5.743 -17.350 5.720 1.00 5.80 N ATOM 1028 CA PRO A 113 -6.201 -16.633 4.510 1.00 6.05 C ATOM 1029 C PRO A 113 -5.038 -16.353 3.592 1.00 6.79 C ATOM 1030 O PRO A 113 -3.902 -16.209 4.050 1.00 7.58 O ATOM 1031 CB PRO A 113 -6.745 -15.323 5.073 1.00 5.59 C ATOM 1032 CG PRO A 113 -5.908 -15.080 6.283 1.00 5.12 C ATOM 1033 CD PRO A 113 -5.672 -16.444 6.887 1.00 5.20 C ATOM 1034 N LYS A 114 -5.322 -16.231 2.303 1.00 6.60 N ATOM 1035 CA LYS A 114 -4.303 -15.773 1.349 1.00 6.96 C ATOM 1036 C LYS A 114 -4.920 -15.190 0.085 1.00 6.16 C ATOM 1037 O LYS A 114 -6.051 -15.535 -0.273 1.00 5.90 O ATOM 1038 CB LYS A 114 -3.353 -16.907 0.987 1.00 8.69 C ATOM 1039 CG LYS A 114 -3.990 -18.018 0.236 1.00 12.05 C ATOM 1040 CD LYS A 114 -2.921 -19.030 -0.240 1.00 18.53 C ATOM 1041 CE LYS A 114 -3.598 -20.262 -0.817 1.00 22.90 C ATOM 1042 NZ LYS A 114 -2.748 -21.487 -0.755 1.00 26.74 N ATOM 1043 HZ1 LYS A 114 -1.873 -21.328 -1.295 1.00 0.00 H ATOM 1044 HZ2 LYS A 114 -2.512 -21.694 0.237 1.00 0.00 H ATOM 1045 HZ3 LYS A 114 -3.268 -22.289 -1.164 1.00 0.00 H ATOM 1046 H LYS A 114 -6.277 -16.462 1.963 1.00 0.00 H ATOM 1047 N VAL A 115 -4.167 -14.313 -0.570 1.00 5.34 N ATOM 1048 CA VAL A 115 -4.580 -13.770 -1.877 1.00 5.90 C ATOM 1049 C VAL A 115 -4.169 -14.767 -2.953 1.00 7.44 C ATOM 1050 O VAL A 115 -2.971 -15.096 -3.060 1.00 8.43 O ATOM 1051 CB VAL A 115 -3.927 -12.387 -2.148 1.00 5.24 C ATOM 1052 CG1 VAL A 115 -4.185 -11.911 -3.603 1.00 4.70 C ATOM 1053 CG2 VAL A 115 -4.370 -11.355 -1.120 1.00 5.88 C ATOM 1054 H VAL A 115 -3.267 -14.003 -0.152 1.00 0.00 H ATOM 1055 N VAL A 116 -5.141 -15.254 -3.736 1.00 8.09 N ATOM 1056 CA VAL A 116 -4.846 -16.262 -4.781 1.00 9.98 C ATOM 1057 C VAL A 116 -4.839 -15.646 -6.183 1.00 11.04 C ATOM 1058 O VAL A 116 -4.274 -16.226 -7.115 1.00 12.10 O ATOM 1059 CB VAL A 116 -5.783 -17.506 -4.750 1.00 11.34 C ATOM 1060 CG1 VAL A 116 -5.520 -18.335 -3.510 1.00 12.01 C ATOM 1061 CG2 VAL A 116 -7.258 -17.117 -4.869 1.00 12.58 C ATOM 1062 H VAL A 116 -6.117 -14.919 -3.608 1.00 0.00 H ATOM 1063 N SER A 117 -5.496 -14.501 -6.333 1.00 10.23 N ATOM 1064 CA SER A 117 -5.378 -13.713 -7.562 1.00 10.62 C ATOM 1065 C SER A 117 -5.809 -12.276 -7.286 1.00 9.48 C ATOM 1066 O SER A 117 -6.353 -11.976 -6.231 1.00 7.96 O ATOM 1067 CB SER A 117 -6.195 -14.332 -8.697 1.00 13.09 C ATOM 1068 OG SER A 117 -7.558 -14.085 -8.469 1.00 16.07 O ATOM 1069 HG SER A 117 -8.091 -14.484 -9.201 1.00 0.00 H ATOM 1070 H SER A 117 -6.105 -14.158 -5.563 1.00 0.00 H ATOM 1071 N HIS A 118 -5.577 -11.389 -8.242 1.00 9.31 N ATOM 1072 CA HIS A 118 -5.869 -9.983 -8.017 1.00 9.00 C ATOM 1073 C HIS A 118 -5.866 -9.234 -9.329 1.00 9.86 C ATOM 1074 O HIS A 118 -5.366 -9.724 -10.351 1.00 11.02 O ATOM 1075 CB HIS A 118 -4.817 -9.374 -7.097 1.00 8.49 C ATOM 1076 CG HIS A 118 -3.436 -9.468 -7.653 1.00 8.92 C ATOM 1077 ND1 HIS A 118 -2.968 -8.618 -8.638 1.00 11.84 N ATOM 1078 CD2 HIS A 118 -2.448 -10.363 -7.422 1.00 10.53 C ATOM 1079 CE1 HIS A 118 -1.732 -8.967 -8.960 1.00 12.61 C ATOM 1080 NE2 HIS A 118 -1.396 -10.019 -8.234 1.00 11.97 N ATOM 1081 H HIS A 118 -5.186 -11.699 -9.154 1.00 0.00 H ATOM 1082 N SER A 119 -6.395 -8.031 -9.265 1.00 9.76 N ATOM 1083 CA SER A 119 -6.468 -7.157 -10.433 1.00 11.26 C ATOM 1084 C SER A 119 -5.087 -6.596 -10.758 1.00 11.90 C ATOM 1085 O SER A 119 -4.226 -6.462 -9.873 1.00 10.42 O ATOM 1086 CB SER A 119 -7.441 -6.026 -10.147 1.00 11.47 C ATOM 1087 OG SER A 119 -6.993 -5.265 -9.035 1.00 10.42 O ATOM 1088 HG SER A 119 -6.101 -4.884 -9.235 1.00 0.00 H ATOM 1089 H SER A 119 -6.772 -7.693 -8.357 1.00 0.00 H ATOM 1090 N VAL A 120 -4.875 -6.254 -12.031 1.00 13.03 N ATOM 1091 CA VAL A 120 -3.689 -5.492 -12.398 1.00 13.75 C ATOM 1092 C VAL A 120 -3.789 -4.082 -11.767 1.00 12.90 C ATOM 1093 O VAL A 120 -2.802 -3.541 -11.291 1.00 13.68 O ATOM 1094 CB VAL A 120 -3.500 -5.461 -13.943 1.00 15.25 C ATOM 1095 CG1 VAL A 120 -2.326 -4.564 -14.341 1.00 16.78 C ATOM 1096 CG2 VAL A 120 -3.310 -6.897 -14.448 1.00 15.96 C ATOM 1097 H VAL A 120 -5.559 -6.533 -12.763 1.00 0.00 H ATOM 1098 N GLN A 121 -4.995 -3.526 -11.710 1.00 12.42 N ATOM 1099 CA GLN A 121 -5.190 -2.209 -11.136 1.00 12.27 C ATOM 1100 C GLN A 121 -4.871 -2.177 -9.639 1.00 11.63 C ATOM 1101 O GLN A 121 -5.165 -3.148 -8.913 1.00 10.84 O ATOM 1102 CB GLN A 121 -6.612 -1.739 -11.365 1.00 13.02 C ATOM 1103 CG GLN A 121 -6.780 -0.266 -11.041 1.00 13.67 C ATOM 1104 CD GLN A 121 -8.162 0.248 -11.389 1.00 14.57 C ATOM 1105 OE1 GLN A 121 -9.162 -0.488 -11.317 1.00 17.48 O ATOM 1106 NE2 GLN A 121 -8.230 1.535 -11.740 1.00 14.97 N ATOM 1107 HE22 GLN A 121 -7.363 2.108 -11.785 1.00 0.00 H ATOM 1108 HE21 GLN A 121 -9.150 1.964 -11.968 1.00 0.00 H ATOM 1109 H GLN A 121 -5.814 -4.046 -12.084 1.00 0.00 H ATOM 1110 N ASP A 122 -4.273 -1.065 -9.215 1.00 11.98 N ATOM 1111 CA ASP A 122 -3.978 -0.803 -7.807 1.00 11.61 C ATOM 1112 C ASP A 122 -5.014 0.144 -7.226 1.00 11.54 C ATOM 1113 O ASP A 122 -5.677 0.893 -7.962 1.00 12.35 O ATOM 1114 CB ASP A 122 -2.603 -0.156 -7.646 1.00 12.82 C ATOM 1115 CG ASP A 122 -1.448 -1.107 -7.962 1.00 15.41 C ATOM 1116 OD1 ASP A 122 -1.633 -2.353 -7.937 1.00 16.01 O ATOM 1117 OD2 ASP A 122 -0.331 -0.593 -8.231 1.00 19.68 O ATOM 1118 H ASP A 122 -4.003 -0.349 -9.919 1.00 0.00 H ATOM 1119 N ALA A 123 -5.117 0.160 -5.902 1.00 10.07 N ATOM 1120 CA ALA A 123 -5.978 1.099 -5.206 1.00 9.85 C ATOM 1121 C ALA A 123 -5.313 1.524 -3.903 1.00 10.63 C ATOM 1122 O ALA A 123 -4.407 0.840 -3.390 1.00 10.18 O ATOM 1123 CB ALA A 123 -7.381 0.500 -4.940 1.00 9.94 C ATOM 1124 H ALA A 123 -4.563 -0.522 -5.346 1.00 0.00 H ATOM 1125 N ALA A 124 -5.756 2.662 -3.387 1.00 10.52 N ATOM 1126 CA ALA A 124 -5.282 3.150 -2.100 1.00 10.76 C ATOM 1127 C ALA A 124 -6.379 3.994 -1.474 1.00 12.05 C ATOM 1128 O ALA A 124 -7.115 4.683 -2.188 1.00 12.39 O ATOM 1129 CB ALA A 124 -4.004 3.956 -2.275 1.00 10.68 C ATOM 1130 H ALA A 124 -6.459 3.219 -3.914 1.00 0.00 H ATOM 1131 N LEU A 125 -6.502 3.923 -0.150 1.00 11.55 N ATOM 1132 CA LEU A 125 -7.397 4.816 0.578 1.00 13.15 C ATOM 1133 C LEU A 125 -6.887 6.258 0.498 1.00 15.15 C ATOM 1134 O LEU A 125 -5.707 6.528 0.713 1.00 14.25 O ATOM 1135 CB LEU A 125 -7.527 4.393 2.042 1.00 12.69 C ATOM 1136 CG LEU A 125 -8.110 3.007 2.299 1.00 12.86 C ATOM 1137 CD1 LEU A 125 -8.107 2.748 3.794 1.00 12.33 C ATOM 1138 CD2 LEU A 125 -9.528 2.869 1.721 1.00 14.37 C ATOM 1139 H LEU A 125 -5.949 3.217 0.376 1.00 0.00 H ATOM 1140 N SER A 126 -7.790 7.177 0.169 1.00 18.15 N ATOM 1141 CA SER A 126 -7.463 8.596 0.084 1.00 21.33 C ATOM 1142 C SER A 126 -6.831 9.130 1.376 1.00 21.83 C ATOM 1143 O SER A 126 -5.916 9.955 1.337 1.00 23.91 O ATOM 1144 CB SER A 126 -8.731 9.400 -0.231 1.00 22.72 C ATOM 1145 OG SER A 126 -8.424 10.774 -0.340 1.00 27.76 O ATOM 1146 HG SER A 126 -7.766 10.907 -1.068 1.00 0.00 H ATOM 1147 H SER A 126 -8.764 6.873 -0.035 1.00 0.00 H ATOM 1148 N ASP A 127 -7.347 8.659 2.507 1.00 21.75 N ATOM 1149 CA ASP A 127 -6.942 9.125 3.832 1.00 22.54 C ATOM 1150 C ASP A 127 -5.750 8.358 4.403 1.00 20.86 C ATOM 1151 O ASP A 127 -5.354 8.590 5.546 1.00 20.67 O ATOM 1152 CB ASP A 127 -8.131 8.998 4.778 1.00 23.93 C ATOM 1153 CG ASP A 127 -9.269 9.908 4.382 1.00 28.82 C ATOM 1154 OD1 ASP A 127 -8.979 11.077 4.034 1.00 34.40 O ATOM 1155 OD2 ASP A 127 -10.434 9.454 4.403 1.00 33.84 O ATOM 1156 H ASP A 127 -8.077 7.921 2.446 1.00 0.00 H ATOM 1157 N GLY A 128 -5.182 7.455 3.609 1.00 18.71 N ATOM 1158 CA GLY A 128 -4.058 6.631 4.066 1.00 16.62 C ATOM 1159 C GLY A 128 -4.556 5.553 5.009 1.00 15.27 C ATOM 1160 O GLY A 128 -5.763 5.290 5.080 1.00 14.76 O ATOM 1161 H GLY A 128 -5.543 7.330 2.642 1.00 0.00 H ATOM 1162 N GLU A 129 -3.634 4.934 5.750 1.00 13.54 N ATOM 1163 CA GLU A 129 -3.995 3.878 6.673 1.00 13.36 C ATOM 1164 C GLU A 129 -3.358 4.142 8.021 1.00 14.32 C ATOM 1165 O GLU A 129 -2.377 4.867 8.118 1.00 16.51 O ATOM 1166 CB GLU A 129 -3.526 2.510 6.145 1.00 11.70 C ATOM 1167 CG GLU A 129 -4.274 2.068 4.882 1.00 12.20 C ATOM 1168 CD GLU A 129 -3.915 0.655 4.399 1.00 11.60 C ATOM 1169 OE1 GLU A 129 -4.224 0.360 3.223 1.00 8.86 O ATOM 1170 OE2 GLU A 129 -3.344 -0.168 5.172 1.00 8.75 O ATOM 1171 H GLU A 129 -2.637 5.216 5.663 1.00 0.00 H ATOM 1172 N GLY A 130 -3.931 3.539 9.052 1.00 14.51 N ATOM 1173 CA GLY A 130 -3.353 3.567 10.383 1.00 14.41 C ATOM 1174 C GLY A 130 -3.181 2.131 10.821 1.00 13.89 C ATOM 1175 O GLY A 130 -3.505 1.182 10.071 1.00 13.41 O ATOM 1176 H GLY A 130 -4.825 3.029 8.903 1.00 0.00 H TER 1177 GLY A 130 ATOM 1178 N LEU A 132 -3.127 -0.288 14.650 1.00 13.18 N ATOM 1179 CA LEU A 132 -3.209 -0.393 16.115 1.00 13.91 C ATOM 1180 C LEU A 132 -1.827 -0.521 16.790 1.00 14.07 C ATOM 1181 O LEU A 132 -1.651 -0.104 17.937 1.00 15.28 O ATOM 1182 CB LEU A 132 -4.137 -1.553 16.518 1.00 14.64 C ATOM 1183 CG LEU A 132 -5.598 -1.453 16.050 1.00 16.06 C ATOM 1184 CD1 LEU A 132 -6.330 -2.827 16.020 1.00 18.98 C ATOM 1185 CD2 LEU A 132 -6.355 -0.440 16.908 1.00 18.43 C ATOM 1186 HN3 LEU A 132 -2.666 -1.138 14.268 1.00 0.00 H ATOM 1187 HN2 LEU A 132 -2.571 0.553 14.395 1.00 0.00 H ATOM 1188 HN1 LEU A 132 -4.086 -0.205 14.255 1.00 0.00 H ATOM 1189 N SER A 133 -0.846 -1.057 16.070 1.00 12.83 N ATOM 1190 CA SER A 133 0.496 -1.254 16.588 1.00 13.67 C ATOM 1191 C SER A 133 1.439 -0.061 16.355 1.00 15.28 C ATOM 1192 O SER A 133 2.591 -0.070 16.826 1.00 16.58 O ATOM 1193 CB SER A 133 1.108 -2.522 15.966 1.00 13.27 C ATOM 1194 OG SER A 133 0.335 -3.678 16.252 1.00 11.91 O ATOM 1195 HG SER A 133 0.285 -3.806 17.232 1.00 0.00 H ATOM 1196 H SER A 133 -1.049 -1.348 15.092 1.00 0.00 H ATOM 1197 N VAL A 134 0.956 0.954 15.636 1.00 14.56 N ATOM 1198 CA VAL A 134 1.787 2.099 15.255 1.00 16.25 C ATOM 1199 C VAL A 134 1.262 3.397 15.862 1.00 18.01 C ATOM 1200 O VAL A 134 0.148 3.836 15.557 1.00 17.25 O ATOM 1201 CB VAL A 134 1.929 2.224 13.719 1.00 15.07 C ATOM 1202 CG1 VAL A 134 2.763 3.438 13.355 1.00 16.33 C ATOM 1203 CG2 VAL A 134 2.588 0.978 13.163 1.00 14.80 C ATOM 1204 H VAL A 134 -0.040 0.932 15.337 1.00 0.00 H ATOM 1205 N ASP A 135 2.077 3.975 16.739 1.00 20.85 N ATOM 1206 CA ASP A 135 1.731 5.165 17.512 1.00 24.01 C ATOM 1207 C ASP A 135 2.500 6.359 16.944 1.00 25.21 C ATOM 1208 O ASP A 135 3.161 7.099 17.680 1.00 26.53 O ATOM 1209 CB ASP A 135 2.084 4.960 18.993 1.00 26.25 C ATOM 1210 CG ASP A 135 1.421 3.717 19.601 1.00 29.98 C ATOM 1211 OD1 ASP A 135 2.002 2.596 19.520 1.00 35.22 O ATOM 1212 OD2 ASP A 135 0.314 3.864 20.188 1.00 37.90 O ATOM 1213 H ASP A 135 3.017 3.555 16.883 1.00 0.00 H ATOM 1214 N ARG A 136 2.426 6.506 15.624 1.00 23.75 N ATOM 1215 CA ARG A 136 3.092 7.577 14.883 1.00 24.30 C ATOM 1216 C ARG A 136 2.134 8.036 13.808 1.00 23.92 C ATOM 1217 O ARG A 136 1.294 7.251 13.339 1.00 22.72 O ATOM 1218 CB ARG A 136 4.334 7.063 14.155 1.00 24.22 C ATOM 1219 CG ARG A 136 5.496 6.678 15.017 1.00 25.32 C ATOM 1220 CD ARG A 136 6.731 6.332 14.181 1.00 24.32 C ATOM 1221 NE ARG A 136 6.542 5.161 13.312 1.00 21.98 N ATOM 1222 CZ ARG A 136 6.496 5.209 11.984 1.00 21.27 C ATOM 1223 NH1 ARG A 136 6.314 4.089 11.288 1.00 19.22 N ATOM 1224 NH2 ARG A 136 6.632 6.370 11.350 1.00 22.78 N ATOM 1225 HE ARG A 136 6.437 4.232 13.767 1.00 0.00 H ATOM 1226 HH12 ARG A 136 6.277 4.122 10.249 1.00 0.00 H ATOM 1227 HH11 ARG A 136 6.208 3.180 11.783 1.00 0.00 H ATOM 1228 HH22 ARG A 136 6.595 6.403 10.311 1.00 0.00 H ATOM 1229 HH21 ARG A 136 6.775 7.245 11.893 1.00 0.00 H ATOM 1230 H ARG A 136 1.861 5.818 15.087 1.00 0.00 H ATOM 1231 N GLU A 137 2.283 9.295 13.395 1.00 24.85 N ATOM 1232 CA GLU A 137 1.602 9.812 12.216 1.00 24.70 C ATOM 1233 C GLU A 137 2.352 9.302 10.995 1.00 23.23 C ATOM 1234 O GLU A 137 3.573 9.493 10.889 1.00 24.86 O ATOM 1235 CB GLU A 137 1.578 11.369 12.240 1.00 26.72 C ATOM 1236 H GLU A 137 2.907 9.930 13.933 1.00 0.00 H ATOM 1237 N VAL A 138 1.646 8.607 10.105 1.00 21.35 N ATOM 1238 CA VAL A 138 2.268 8.103 8.874 1.00 19.85 C ATOM 1239 C VAL A 138 1.472 8.531 7.630 1.00 19.59 C ATOM 1240 O VAL A 138 0.434 7.952 7.321 1.00 18.86 O ATOM 1241 CB VAL A 138 2.431 6.559 8.863 1.00 18.76 C ATOM 1242 CG1 VAL A 138 3.212 6.142 7.621 1.00 18.70 C ATOM 1243 CG2 VAL A 138 3.146 6.078 10.113 1.00 18.08 C ATOM 1244 H VAL A 138 0.639 8.418 10.285 1.00 0.00 H ATOM 1245 N PRO A 139 1.963 9.546 6.916 1.00 20.28 N ATOM 1246 CA PRO A 139 1.262 10.014 5.733 1.00 19.81 C ATOM 1247 C PRO A 139 1.513 9.167 4.488 1.00 18.04 C ATOM 1248 O PRO A 139 2.571 8.535 4.348 1.00 16.94 O ATOM 1249 CB PRO A 139 1.842 11.414 5.531 1.00 21.66 C ATOM 1250 CG PRO A 139 3.257 11.305 6.032 1.00 22.60 C ATOM 1251 CD PRO A 139 3.186 10.329 7.194 1.00 22.20 C ATOM 1252 N GLY A 140 0.527 9.149 3.595 1.00 17.79 N ATOM 1253 CA GLY A 140 0.746 8.635 2.251 1.00 16.18 C ATOM 1254 C GLY A 140 -0.211 7.553 1.796 1.00 15.16 C ATOM 1255 O GLY A 140 -0.911 6.932 2.601 1.00 13.99 O ATOM 1256 H GLY A 140 -0.413 9.507 3.861 1.00 0.00 H ATOM 1257 N TYR A 141 -0.219 7.335 0.488 1.00 14.60 N ATOM 1258 CA TYR A 141 -1.059 6.313 -0.109 1.00 12.90 C ATOM 1259 C TYR A 141 -0.398 4.964 0.094 1.00 10.63 C ATOM 1260 O TYR A 141 0.749 4.746 -0.305 1.00 10.64 O ATOM 1261 CB TYR A 141 -1.235 6.560 -1.600 1.00 14.16 C ATOM 1262 CG TYR A 141 -1.962 7.831 -1.926 1.00 16.60 C ATOM 1263 CD1 TYR A 141 -3.107 8.199 -1.214 1.00 18.70 C ATOM 1264 CD2 TYR A 141 -1.518 8.663 -2.962 1.00 19.45 C ATOM 1265 CE1 TYR A 141 -3.783 9.388 -1.501 1.00 21.25 C ATOM 1266 CE2 TYR A 141 -2.200 9.851 -3.267 1.00 21.39 C ATOM 1267 CZ TYR A 141 -3.322 10.195 -2.537 1.00 21.20 C ATOM 1268 OH TYR A 141 -4.008 11.345 -2.836 1.00 23.23 O ATOM 1269 HH TYR A 141 -4.778 11.438 -2.221 1.00 0.00 H ATOM 1270 H TYR A 141 0.392 7.911 -0.126 1.00 0.00 H ATOM 1271 N VAL A 142 -1.135 4.066 0.725 1.00 10.10 N ATOM 1272 CA VAL A 142 -0.690 2.696 0.871 1.00 8.02 C ATOM 1273 C VAL A 142 -1.203 1.931 -0.357 1.00 8.05 C ATOM 1274 O VAL A 142 -2.403 1.648 -0.483 1.00 6.89 O ATOM 1275 CB VAL A 142 -1.232 2.074 2.178 1.00 7.55 C ATOM 1276 CG1 VAL A 142 -0.745 0.656 2.324 1.00 7.31 C ATOM 1277 CG2 VAL A 142 -0.824 2.933 3.400 1.00 7.72 C ATOM 1278 H VAL A 142 -2.053 4.349 1.124 1.00 0.00 H ATOM 1279 N VAL A 143 -0.293 1.637 -1.275 1.00 7.99 N ATOM 1280 CA VAL A 143 -0.684 1.085 -2.578 1.00 8.46 C ATOM 1281 C VAL A 143 -0.951 -0.416 -2.496 1.00 7.23 C ATOM 1282 O VAL A 143 -0.049 -1.223 -2.175 1.00 7.11 O ATOM 1283 CB VAL A 143 0.356 1.417 -3.636 1.00 9.41 C ATOM 1284 CG1 VAL A 143 -0.032 0.806 -4.999 1.00 11.19 C ATOM 1285 CG2 VAL A 143 0.496 2.938 -3.734 1.00 11.06 C ATOM 1286 H VAL A 143 0.713 1.800 -1.069 1.00 0.00 H ATOM 1287 N ARG A 144 -2.199 -0.780 -2.779 1.00 7.09 N ATOM 1288 CA ARG A 144 -2.618 -2.175 -2.718 1.00 6.50 C ATOM 1289 C ARG A 144 -3.255 -2.617 -4.043 1.00 6.65 C ATOM 1290 O ARG A 144 -3.378 -1.816 -4.969 1.00 7.54 O ATOM 1291 CB ARG A 144 -3.612 -2.365 -1.572 1.00 6.69 C ATOM 1292 CG ARG A 144 -3.045 -1.916 -0.220 1.00 4.34 C ATOM 1293 CD ARG A 144 -3.855 -2.485 0.936 1.00 5.60 C ATOM 1294 NE ARG A 144 -3.298 -2.126 2.234 1.00 5.39 N ATOM 1295 CZ ARG A 144 -2.317 -2.796 2.827 1.00 7.05 C ATOM 1296 NH1 ARG A 144 -1.738 -3.831 2.206 1.00 4.29 N ATOM 1297 NH2 ARG A 144 -1.887 -2.403 4.021 1.00 7.46 N ATOM 1298 HE ARG A 144 -3.692 -1.297 2.724 1.00 0.00 H ATOM 1299 HH12 ARG A 144 -0.970 -4.354 2.673 1.00 0.00 H ATOM 1300 HH11 ARG A 144 -2.056 -4.112 1.257 1.00 0.00 H ATOM 1301 HH22 ARG A 144 -1.119 -2.921 4.494 1.00 0.00 H ATOM 1302 HH21 ARG A 144 -2.318 -1.577 4.483 1.00 0.00 H ATOM 1303 H ARG A 144 -2.891 -0.053 -3.050 1.00 0.00 H ATOM 1304 N HIS A 145 -3.635 -3.886 -4.108 1.00 6.11 N ATOM 1305 CA HIS A 145 -4.404 -4.394 -5.262 1.00 6.22 C ATOM 1306 C HIS A 145 -5.791 -3.809 -5.168 1.00 6.51 C ATOM 1307 O HIS A 145 -6.365 -3.734 -4.073 1.00 6.87 O ATOM 1308 CB HIS A 145 -4.528 -5.911 -5.235 1.00 6.46 C ATOM 1309 CG HIS A 145 -3.214 -6.615 -5.187 1.00 6.77 C ATOM 1310 ND1 HIS A 145 -2.285 -6.500 -6.202 1.00 7.43 N ATOM 1311 CD2 HIS A 145 -2.657 -7.418 -4.247 1.00 5.96 C ATOM 1312 CE1 HIS A 145 -1.220 -7.228 -5.899 1.00 9.58 C ATOM 1313 NE2 HIS A 145 -1.432 -7.812 -4.731 1.00 7.33 N ATOM 1314 H HIS A 145 -3.387 -4.534 -3.333 1.00 0.00 H ATOM 1315 N ALA A 146 -6.364 -3.398 -6.298 1.00 6.36 N ATOM 1316 CA ALA A 146 -7.743 -2.894 -6.241 1.00 7.15 C ATOM 1317 C ALA A 146 -8.728 -3.991 -5.816 1.00 7.13 C ATOM 1318 O ALA A 146 -9.583 -3.785 -4.940 1.00 7.47 O ATOM 1319 CB ALA A 146 -8.158 -2.305 -7.585 1.00 8.39 C ATOM 1320 H ALA A 146 -5.847 -3.433 -7.200 1.00 0.00 H ATOM 1321 N ARG A 147 -8.613 -5.128 -6.485 1.00 7.08 N ATOM 1322 CA ARG A 147 -9.516 -6.261 -6.303 1.00 7.31 C ATOM 1323 C ARG A 147 -8.698 -7.513 -6.025 1.00 6.42 C ATOM 1324 O ARG A 147 -7.628 -7.708 -6.593 1.00 5.21 O ATOM 1325 CB ARG A 147 -10.369 -6.437 -7.562 1.00 8.29 C ATOM 1326 CG ARG A 147 -11.262 -5.182 -7.822 1.00 9.03 C ATOM 1327 CD ARG A 147 -12.008 -5.205 -9.151 1.00 11.57 C ATOM 1328 NE ARG A 147 -11.111 -5.140 -10.310 1.00 15.03 N ATOM 1329 CZ ARG A 147 -10.554 -4.023 -10.786 1.00 16.95 C ATOM 1330 NH1 ARG A 147 -10.749 -2.842 -10.200 1.00 17.12 N ATOM 1331 NH2 ARG A 147 -9.773 -4.098 -11.856 1.00 19.83 N ATOM 1332 HE ARG A 147 -10.892 -6.032 -10.798 1.00 0.00 H ATOM 1333 HH12 ARG A 147 -10.303 -1.988 -10.591 1.00 0.00 H ATOM 1334 HH11 ARG A 147 -11.347 -2.775 -9.352 1.00 0.00 H ATOM 1335 HH22 ARG A 147 -9.332 -3.238 -12.239 1.00 0.00 H ATOM 1336 HH21 ARG A 147 -9.602 -5.017 -12.312 1.00 0.00 H ATOM 1337 H ARG A 147 -7.840 -5.219 -7.175 1.00 0.00 H ATOM 1338 N VAL A 148 -9.225 -8.374 -5.163 1.00 6.55 N ATOM 1339 CA VAL A 148 -8.525 -9.604 -4.858 1.00 6.60 C ATOM 1340 C VAL A 148 -9.498 -10.772 -4.824 1.00 7.13 C ATOM 1341 O VAL A 148 -10.696 -10.574 -4.581 1.00 7.67 O ATOM 1342 CB VAL A 148 -7.770 -9.523 -3.525 1.00 6.06 C ATOM 1343 CG1 VAL A 148 -6.630 -8.547 -3.612 1.00 7.40 C ATOM 1344 CG2 VAL A 148 -8.733 -9.182 -2.385 1.00 4.73 C ATOM 1345 H VAL A 148 -10.137 -8.166 -4.709 1.00 0.00 H ATOM 1346 N THR A 149 -8.980 -11.963 -5.096 1.00 7.30 N ATOM 1347 CA THR A 149 -9.690 -13.200 -4.775 1.00 7.58 C ATOM 1348 C THR A 149 -8.911 -13.834 -3.640 1.00 7.43 C ATOM 1349 O THR A 149 -7.689 -14.013 -3.738 1.00 6.73 O ATOM 1350 CB THR A 149 -9.736 -14.172 -5.985 1.00 9.52 C ATOM 1351 OG1 THR A 149 -10.279 -13.482 -7.120 1.00 12.26 O ATOM 1352 CG2 THR A 149 -10.595 -15.383 -5.664 1.00 11.36 C ATOM 1353 HG1 THR A 149 -9.706 -12.705 -7.338 1.00 0.00 H ATOM 1354 H THR A 149 -8.045 -12.018 -5.549 1.00 0.00 H ATOM 1355 N ILE A 150 -9.607 -14.139 -2.548 1.00 6.88 N ATOM 1356 CA ILE A 150 -8.957 -14.769 -1.408 1.00 7.20 C ATOM 1357 C ILE A 150 -9.506 -16.175 -1.181 1.00 7.60 C ATOM 1358 O ILE A 150 -10.640 -16.482 -1.583 1.00 7.91 O ATOM 1359 CB ILE A 150 -9.105 -13.917 -0.116 1.00 7.19 C ATOM 1360 CG1 ILE A 150 -10.575 -13.871 0.312 1.00 8.38 C ATOM 1361 CG2 ILE A 150 -8.524 -12.475 -0.298 1.00 8.77 C ATOM 1362 CD1 ILE A 150 -10.784 -13.351 1.712 1.00 10.63 C ATOM 1363 H ILE A 150 -10.624 -13.926 -2.508 1.00 0.00 H ATOM 1364 N GLU A 151 -8.686 -17.035 -0.578 1.00 6.77 N ATOM 1365 CA GLU A 151 -9.170 -18.273 0.020 1.00 8.31 C ATOM 1366 C GLU A 151 -8.854 -18.229 1.492 1.00 7.49 C ATOM 1367 O GLU A 151 -7.822 -17.701 1.892 1.00 6.78 O ATOM 1368 CB GLU A 151 -8.470 -19.476 -0.591 1.00 9.71 C ATOM 1369 CG GLU A 151 -8.946 -19.700 -1.996 1.00 12.91 C ATOM 1370 CD GLU A 151 -8.176 -20.785 -2.740 1.00 15.02 C ATOM 1371 OE1 GLU A 151 -7.178 -21.352 -2.215 1.00 15.83 O ATOM 1372 OE2 GLU A 151 -8.589 -21.051 -3.877 1.00 17.81 O ATOM 1373 H GLU A 151 -7.670 -16.816 -0.533 1.00 0.00 H ATOM 1374 N TYR A 152 -9.739 -18.797 2.290 1.00 7.34 N ATOM 1375 CA TYR A 152 -9.482 -18.915 3.730 1.00 7.30 C ATOM 1376 C TYR A 152 -10.343 -20.032 4.281 1.00 8.25 C ATOM 1377 O TYR A 152 -11.238 -20.545 3.584 1.00 8.61 O ATOM 1378 CB TYR A 152 -9.793 -17.604 4.461 1.00 7.25 C ATOM 1379 CG TYR A 152 -11.256 -17.234 4.469 1.00 7.53 C ATOM 1380 CD1 TYR A 152 -12.080 -17.641 5.517 1.00 10.81 C ATOM 1381 CD2 TYR A 152 -11.820 -16.459 3.440 1.00 9.67 C ATOM 1382 CE1 TYR A 152 -13.439 -17.299 5.539 1.00 10.47 C ATOM 1383 CE2 TYR A 152 -13.168 -16.115 3.459 1.00 10.71 C ATOM 1384 CZ TYR A 152 -13.969 -16.551 4.497 1.00 10.16 C ATOM 1385 OH TYR A 152 -15.301 -16.209 4.531 1.00 14.51 O ATOM 1386 HH TYR A 152 -15.750 -16.556 3.720 1.00 0.00 H ATOM 1387 H TYR A 152 -10.628 -19.165 1.894 1.00 0.00 H ATOM 1388 N PHE A 153 -10.073 -20.401 5.532 1.00 8.46 N ATOM 1389 CA PHE A 153 -10.893 -21.420 6.236 1.00 9.81 C ATOM 1390 C PHE A 153 -11.579 -20.772 7.417 1.00 10.01 C ATOM 1391 O PHE A 153 -10.970 -19.911 8.074 1.00 8.80 O ATOM 1392 CB PHE A 153 -9.990 -22.541 6.724 1.00 11.56 C ATOM 1393 CG PHE A 153 -9.344 -23.280 5.605 1.00 13.19 C ATOM 1394 CD1 PHE A 153 -9.879 -24.469 5.149 1.00 17.65 C ATOM 1395 CD2 PHE A 153 -8.250 -22.727 4.944 1.00 15.56 C ATOM 1396 CE1 PHE A 153 -9.313 -25.128 4.070 1.00 17.71 C ATOM 1397 CE2 PHE A 153 -7.664 -23.372 3.852 1.00 17.47 C ATOM 1398 CZ PHE A 153 -8.203 -24.585 3.414 1.00 16.95 C ATOM 1399 H PHE A 153 -9.269 -19.965 6.028 1.00 0.00 H ATOM 1400 N ASP A 154 -12.824 -21.153 7.698 1.00 10.66 N ATOM 1401 CA ASP A 154 -13.441 -20.633 8.923 1.00 11.73 C ATOM 1402 C ASP A 154 -13.137 -21.583 10.083 1.00 12.06 C ATOM 1403 O ASP A 154 -12.479 -22.620 9.883 1.00 13.02 O ATOM 1404 CB ASP A 154 -14.942 -20.330 8.784 1.00 12.73 C ATOM 1405 CG ASP A 154 -15.769 -21.552 8.488 1.00 15.91 C ATOM 1406 OD1 ASP A 154 -15.519 -22.611 9.095 1.00 17.41 O ATOM 1407 OD2 ASP A 154 -16.699 -21.430 7.662 1.00 21.70 O ATOM 1408 H ASP A 154 -13.342 -21.799 7.069 1.00 0.00 H ATOM 1409 N LYS A 155 -13.597 -21.221 11.283 1.00 13.32 N ATOM 1410 CA LYS A 155 -13.278 -21.999 12.486 1.00 15.87 C ATOM 1411 C LYS A 155 -13.685 -23.481 12.389 1.00 17.20 C ATOM 1412 O LYS A 155 -13.176 -24.327 13.143 1.00 18.23 O ATOM 1413 CB LYS A 155 -13.920 -21.355 13.717 1.00 16.04 C ATOM 1414 CG LYS A 155 -15.439 -21.583 13.808 1.00 19.85 C ATOM 1415 CD LYS A 155 -16.172 -20.517 14.639 1.00 24.53 C ATOM 1416 CE LYS A 155 -15.685 -20.437 16.069 1.00 27.65 C ATOM 1417 NZ LYS A 155 -16.543 -19.490 16.861 1.00 29.14 N ATOM 1418 HZ1 LYS A 155 -16.498 -18.543 16.433 1.00 0.00 H ATOM 1419 HZ2 LYS A 155 -17.527 -19.828 16.855 1.00 0.00 H ATOM 1420 HZ3 LYS A 155 -16.196 -19.446 17.840 1.00 0.00 H ATOM 1421 H LYS A 155 -14.192 -20.372 11.367 1.00 0.00 H ATOM 1422 N THR A 156 -14.621 -23.796 11.493 1.00 17.86 N ATOM 1423 CA THR A 156 -15.059 -25.180 11.340 1.00 20.54 C ATOM 1424 C THR A 156 -14.125 -25.968 10.425 1.00 20.32 C ATOM 1425 O THR A 156 -14.183 -27.202 10.370 1.00 22.63 O ATOM 1426 CB THR A 156 -16.509 -25.275 10.783 1.00 21.53 C ATOM 1427 OG1 THR A 156 -16.510 -25.015 9.373 1.00 22.15 O ATOM 1428 CG2 THR A 156 -17.457 -24.291 11.479 1.00 22.87 C ATOM 1429 HG1 THR A 156 -16.155 -24.106 9.206 1.00 0.00 H ATOM 1430 H THR A 156 -15.041 -23.052 10.900 1.00 0.00 H ATOM 1431 N GLY A 157 -13.251 -25.264 9.709 1.00 17.77 N ATOM 1432 CA GLY A 157 -12.382 -25.902 8.734 1.00 17.74 C ATOM 1433 C GLY A 157 -12.935 -25.877 7.307 1.00 17.77 C ATOM 1434 O GLY A 157 -12.285 -26.359 6.385 1.00 18.61 O ATOM 1435 H GLY A 157 -13.189 -24.236 9.850 1.00 0.00 H ATOM 1436 N GLU A 158 -14.126 -25.318 7.132 1.00 17.32 N ATOM 1437 CA GLU A 158 -14.711 -25.141 5.795 1.00 17.67 C ATOM 1438 C GLU A 158 -13.893 -24.119 5.005 1.00 15.68 C ATOM 1439 O GLU A 158 -13.565 -23.062 5.528 1.00 13.60 O ATOM 1440 CB GLU A 158 -16.166 -24.676 5.885 1.00 18.63 C ATOM 1441 CG GLU A 158 -16.815 -24.472 4.516 1.00 19.52 C ATOM 1442 CD GLU A 158 -18.315 -24.247 4.548 1.00 20.18 C ATOM 1443 OE1 GLU A 158 -18.949 -24.210 5.631 1.00 20.14 O ATOM 1444 OE2 GLU A 158 -18.891 -24.109 3.449 1.00 22.49 O ATOM 1445 H GLU A 158 -14.660 -24.996 7.964 1.00 0.00 H ATOM 1446 N LYS A 159 -13.592 -24.449 3.749 1.00 15.81 N ATOM 1447 CA LYS A 159 -12.847 -23.558 2.844 1.00 16.16 C ATOM 1448 C LYS A 159 -13.792 -22.598 2.125 1.00 15.37 C ATOM 1449 O LYS A 159 -14.874 -23.005 1.671 1.00 16.28 O ATOM 1450 CB LYS A 159 -12.092 -24.391 1.807 1.00 16.99 C ATOM 1451 CG LYS A 159 -11.133 -23.590 0.901 1.00 18.32 C ATOM 1452 CD LYS A 159 -10.354 -24.517 -0.051 1.00 20.24 C ATOM 1453 CE LYS A 159 -9.300 -23.744 -0.830 1.00 23.07 C ATOM 1454 NZ LYS A 159 -8.615 -24.591 -1.859 1.00 26.73 N ATOM 1455 HZ1 LYS A 159 -8.146 -25.392 -1.390 1.00 0.00 H ATOM 1456 HZ2 LYS A 159 -9.319 -24.948 -2.537 1.00 0.00 H ATOM 1457 HZ3 LYS A 159 -7.907 -24.019 -2.362 1.00 0.00 H ATOM 1458 H LYS A 159 -13.897 -25.377 3.392 1.00 0.00 H ATOM 1459 N HIS A 160 -13.395 -21.326 2.029 1.00 13.01 N ATOM 1460 CA HIS A 160 -14.167 -20.324 1.301 1.00 12.55 C ATOM 1461 C HIS A 160 -13.290 -19.694 0.229 1.00 12.01 C ATOM 1462 O HIS A 160 -12.068 -19.597 0.402 1.00 10.77 O ATOM 1463 CB HIS A 160 -14.656 -19.236 2.242 1.00 12.84 C ATOM 1464 CG HIS A 160 -15.546 -19.745 3.333 1.00 13.77 C ATOM 1465 ND1 HIS A 160 -16.914 -19.872 3.182 1.00 19.01 N ATOM 1466 CD2 HIS A 160 -15.260 -20.194 4.579 1.00 14.80 C ATOM 1467 CE1 HIS A 160 -17.434 -20.339 4.307 1.00 17.93 C ATOM 1468 NE2 HIS A 160 -16.454 -20.528 5.173 1.00 14.53 N ATOM 1469 H HIS A 160 -12.507 -21.040 2.488 1.00 0.00 H ATOM 1470 N ARG A 161 -13.916 -19.300 -0.883 1.00 11.75 N ATOM 1471 CA ARG A 161 -13.226 -18.587 -1.956 1.00 11.65 C ATOM 1472 C ARG A 161 -14.087 -17.375 -2.233 1.00 11.78 C ATOM 1473 O ARG A 161 -15.298 -17.515 -2.417 1.00 12.72 O ATOM 1474 CB ARG A 161 -13.133 -19.473 -3.209 1.00 12.86 C ATOM 1475 CG ARG A 161 -12.561 -20.873 -2.940 1.00 13.45 C ATOM 1476 CD ARG A 161 -12.289 -21.608 -4.261 1.00 15.64 C ATOM 1477 NE ARG A 161 -11.156 -21.034 -4.995 1.00 17.07 N ATOM 1478 CZ ARG A 161 -11.140 -20.820 -6.310 1.00 21.08 C ATOM 1479 NH1 ARG A 161 -10.055 -20.303 -6.893 1.00 22.45 N ATOM 1480 NH2 ARG A 161 -12.211 -21.102 -7.050 1.00 20.15 N ATOM 1481 HE ARG A 161 -10.307 -20.777 -4.452 1.00 0.00 H ATOM 1482 HH12 ARG A 161 -10.045 -20.137 -7.920 1.00 0.00 H ATOM 1483 HH11 ARG A 161 -9.220 -20.066 -6.320 1.00 0.00 H ATOM 1484 HH22 ARG A 161 -12.193 -20.933 -8.076 1.00 0.00 H ATOM 1485 HH21 ARG A 161 -13.065 -21.491 -6.602 1.00 0.00 H ATOM 1486 H ARG A 161 -14.930 -19.508 -0.989 1.00 0.00 H ATOM 1487 N LEU A 162 -13.492 -16.186 -2.210 1.00 10.58 N ATOM 1488 CA LEU A 162 -14.264 -14.939 -2.200 1.00 11.16 C ATOM 1489 C LEU A 162 -13.547 -13.832 -2.976 1.00 10.19 C ATOM 1490 O LEU A 162 -12.365 -13.626 -2.760 1.00 9.55 O ATOM 1491 CB LEU A 162 -14.464 -14.489 -0.741 1.00 10.31 C ATOM 1492 CG LEU A 162 -15.279 -13.249 -0.411 1.00 12.76 C ATOM 1493 CD1 LEU A 162 -16.752 -13.434 -0.796 1.00 15.41 C ATOM 1494 CD2 LEU A 162 -15.105 -12.961 1.088 1.00 12.30 C ATOM 1495 H LEU A 162 -12.453 -16.139 -2.199 1.00 0.00 H ATOM 1496 N LYS A 163 -14.252 -13.140 -3.877 1.00 9.82 N ATOM 1497 CA LYS A 163 -13.721 -11.941 -4.522 1.00 10.10 C ATOM 1498 C LYS A 163 -14.124 -10.699 -3.709 1.00 9.99 C ATOM 1499 O LYS A 163 -15.271 -10.594 -3.241 1.00 9.74 O ATOM 1500 CB LYS A 163 -14.251 -11.822 -5.966 1.00 11.51 C ATOM 1501 CG LYS A 163 -13.577 -12.795 -6.929 1.00 13.14 C ATOM 1502 CD LYS A 163 -14.123 -12.764 -8.361 1.00 15.92 C ATOM 1503 CE LYS A 163 -13.078 -13.363 -9.281 1.00 19.70 C ATOM 1504 NZ LYS A 163 -13.509 -13.390 -10.708 1.00 24.07 N ATOM 1505 HZ1 LYS A 163 -14.374 -13.960 -10.797 1.00 0.00 H ATOM 1506 HZ2 LYS A 163 -13.697 -12.419 -11.030 1.00 0.00 H ATOM 1507 HZ3 LYS A 163 -12.755 -13.810 -11.289 1.00 0.00 H ATOM 1508 H LYS A 163 -15.208 -13.465 -4.127 1.00 0.00 H ATOM 1509 N LEU A 164 -13.181 -9.772 -3.544 1.00 8.25 N ATOM 1510 CA LEU A 164 -13.415 -8.552 -2.784 1.00 7.08 C ATOM 1511 C LEU A 164 -12.958 -7.338 -3.573 1.00 8.09 C ATOM 1512 O LEU A 164 -11.992 -7.408 -4.353 1.00 7.07 O ATOM 1513 CB LEU A 164 -12.666 -8.595 -1.460 1.00 7.15 C ATOM 1514 CG LEU A 164 -13.030 -9.741 -0.512 1.00 6.77 C ATOM 1515 CD1 LEU A 164 -12.038 -9.787 0.628 1.00 10.48 C ATOM 1516 CD2 LEU A 164 -14.474 -9.600 -0.009 1.00 10.76 C ATOM 1517 H LEU A 164 -12.246 -9.925 -3.973 1.00 0.00 H ATOM 1518 N LYS A 165 -13.663 -6.235 -3.362 1.00 8.26 N ATOM 1519 CA LYS A 165 -13.265 -4.968 -3.932 1.00 10.07 C ATOM 1520 C LYS A 165 -13.483 -3.856 -2.897 1.00 9.79 C ATOM 1521 O LYS A 165 -13.916 -4.108 -1.766 1.00 9.10 O ATOM 1522 CB LYS A 165 -14.042 -4.692 -5.230 1.00 12.04 C ATOM 1523 CG LYS A 165 -15.525 -4.549 -5.022 1.00 15.65 C ATOM 1524 CD LYS A 165 -16.248 -4.501 -6.364 1.00 22.72 C ATOM 1525 CE LYS A 165 -17.683 -4.079 -6.164 1.00 27.60 C ATOM 1526 NZ LYS A 165 -18.386 -4.030 -7.484 1.00 33.69 N ATOM 1527 HZ1 LYS A 165 -17.909 -3.345 -8.104 1.00 0.00 H ATOM 1528 HZ2 LYS A 165 -18.362 -4.972 -7.923 1.00 0.00 H ATOM 1529 HZ3 LYS A 165 -19.374 -3.739 -7.339 1.00 0.00 H ATOM 1530 H LYS A 165 -14.520 -6.283 -2.774 1.00 0.00 H ATOM 1531 N GLY A 166 -13.165 -2.635 -3.292 1.00 10.17 N ATOM 1532 CA GLY A 166 -13.428 -1.470 -2.446 1.00 10.33 C ATOM 1533 C GLY A 166 -12.702 -1.561 -1.123 1.00 10.39 C ATOM 1534 O GLY A 166 -11.592 -2.097 -1.044 1.00 8.76 O ATOM 1535 H GLY A 166 -12.719 -2.500 -4.222 1.00 0.00 H ATOM 1536 N TYR A 167 -13.361 -1.080 -0.078 1.00 10.66 N ATOM 1537 CA TYR A 167 -12.757 -1.015 1.252 1.00 11.47 C ATOM 1538 C TYR A 167 -12.513 -2.427 1.824 1.00 9.51 C ATOM 1539 O TYR A 167 -11.492 -2.670 2.492 1.00 8.33 O ATOM 1540 CB TYR A 167 -13.655 -0.153 2.156 1.00 14.17 C ATOM 1541 CG TYR A 167 -13.065 0.228 3.488 1.00 18.91 C ATOM 1542 CD1 TYR A 167 -13.727 -0.072 4.675 1.00 21.49 C ATOM 1543 CD2 TYR A 167 -11.850 0.917 3.567 1.00 22.71 C ATOM 1544 CE1 TYR A 167 -13.192 0.293 5.917 1.00 22.78 C ATOM 1545 CE2 TYR A 167 -11.306 1.283 4.801 1.00 23.05 C ATOM 1546 CZ TYR A 167 -11.983 0.962 5.967 1.00 21.79 C ATOM 1547 OH TYR A 167 -11.446 1.319 7.188 1.00 22.76 O ATOM 1548 HH TYR A 167 -12.049 1.018 7.913 1.00 0.00 H ATOM 1549 H TYR A 167 -14.335 -0.739 -0.208 1.00 0.00 H ATOM 1550 N ASN A 168 -13.417 -3.371 1.540 1.00 8.37 N ATOM 1551 CA ASN A 168 -13.265 -4.773 1.962 1.00 7.75 C ATOM 1552 C ASN A 168 -11.901 -5.328 1.497 1.00 6.33 C ATOM 1553 O ASN A 168 -11.164 -5.975 2.259 1.00 4.98 O ATOM 1554 CB ASN A 168 -14.353 -5.648 1.326 1.00 8.53 C ATOM 1555 CG ASN A 168 -15.715 -5.537 2.014 1.00 11.31 C ATOM 1556 OD1 ASN A 168 -15.868 -4.868 3.031 1.00 14.47 O ATOM 1557 ND2 ASN A 168 -16.721 -6.199 1.419 1.00 13.34 N ATOM 1558 HD22 ASN A 168 -16.541 -6.753 0.558 1.00 0.00 H ATOM 1559 HD21 ASN A 168 -17.680 -6.157 1.820 1.00 0.00 H ATOM 1560 H ASN A 168 -14.263 -3.103 0.998 1.00 0.00 H ATOM 1561 N SER A 169 -11.598 -5.096 0.226 1.00 6.02 N ATOM 1562 CA SER A 169 -10.330 -5.554 -0.367 1.00 5.18 C ATOM 1563 C SER A 169 -9.116 -4.975 0.373 1.00 4.61 C ATOM 1564 O SER A 169 -8.157 -5.699 0.672 1.00 4.33 O ATOM 1565 CB SER A 169 -10.287 -5.141 -1.833 1.00 6.48 C ATOM 1566 OG SER A 169 -9.021 -5.362 -2.390 1.00 6.38 O ATOM 1567 HG SER A 169 -9.027 -5.084 -3.340 1.00 0.00 H ATOM 1568 H SER A 169 -12.275 -4.576 -0.368 1.00 0.00 H ATOM 1569 N ILE A 170 -9.147 -3.667 0.620 1.00 3.66 N ATOM 1570 CA ILE A 170 -8.059 -2.979 1.314 1.00 4.65 C ATOM 1571 C ILE A 170 -7.888 -3.565 2.717 1.00 4.10 C ATOM 1572 O ILE A 170 -6.764 -3.907 3.120 1.00 4.53 O ATOM 1573 CB ILE A 170 -8.339 -1.464 1.425 1.00 6.05 C ATOM 1574 CG1 ILE A 170 -8.471 -0.819 0.037 1.00 7.87 C ATOM 1575 CG2 ILE A 170 -7.249 -0.750 2.249 1.00 5.42 C ATOM 1576 CD1 ILE A 170 -7.224 -0.799 -0.786 1.00 9.07 C ATOM 1577 H ILE A 170 -9.973 -3.116 0.309 1.00 0.00 H ATOM 1578 N VAL A 171 -9.000 -3.697 3.453 1.00 3.70 N ATOM 1579 CA VAL A 171 -8.923 -4.181 4.843 1.00 4.14 C ATOM 1580 C VAL A 171 -8.311 -5.578 4.925 1.00 3.25 C ATOM 1581 O VAL A 171 -7.386 -5.829 5.711 1.00 3.91 O ATOM 1582 CB VAL A 171 -10.293 -4.130 5.528 1.00 4.80 C ATOM 1583 CG1 VAL A 171 -10.220 -4.797 6.898 1.00 5.17 C ATOM 1584 CG2 VAL A 171 -10.739 -2.663 5.626 1.00 6.56 C ATOM 1585 H VAL A 171 -9.924 -3.456 3.041 1.00 0.00 H ATOM 1586 N VAL A 172 -8.810 -6.493 4.100 1.00 2.52 N ATOM 1587 CA VAL A 172 -8.305 -7.868 4.124 1.00 2.63 C ATOM 1588 C VAL A 172 -6.822 -7.924 3.756 1.00 1.87 C ATOM 1589 O VAL A 172 -6.038 -8.656 4.377 1.00 3.03 O ATOM 1590 CB VAL A 172 -9.165 -8.798 3.246 1.00 3.44 C ATOM 1591 CG1 VAL A 172 -8.586 -10.166 3.216 1.00 4.82 C ATOM 1592 CG2 VAL A 172 -10.591 -8.862 3.830 1.00 3.28 C ATOM 1593 H VAL A 172 -9.564 -6.231 3.433 1.00 0.00 H ATOM 1594 N GLN A 173 -6.431 -7.150 2.752 1.00 1.74 N ATOM 1595 CA GLN A 173 -5.008 -7.109 2.373 1.00 1.66 C ATOM 1596 C GLN A 173 -4.117 -6.621 3.525 1.00 1.68 C ATOM 1597 O GLN A 173 -3.008 -7.142 3.747 1.00 2.46 O ATOM 1598 CB GLN A 173 -4.804 -6.254 1.128 1.00 1.47 C ATOM 1599 CG GLN A 173 -5.267 -6.939 -0.137 1.00 2.34 C ATOM 1600 CD GLN A 173 -5.131 -5.992 -1.306 1.00 2.67 C ATOM 1601 OE1 GLN A 173 -4.030 -5.791 -1.840 1.00 3.28 O ATOM 1602 NE2 GLN A 173 -6.256 -5.403 -1.717 1.00 2.50 N ATOM 1603 HE22 GLN A 173 -7.155 -5.605 -1.235 1.00 0.00 H ATOM 1604 HE21 GLN A 173 -6.234 -4.742 -2.519 1.00 0.00 H ATOM 1605 H GLN A 173 -7.126 -6.575 2.235 1.00 0.00 H ATOM 1606 N HIS A 174 -4.601 -5.623 4.256 1.00 1.07 N ATOM 1607 CA HIS A 174 -3.837 -5.053 5.371 1.00 1.59 C ATOM 1608 C HIS A 174 -3.619 -6.174 6.409 1.00 1.38 C ATOM 1609 O HIS A 174 -2.502 -6.360 6.917 1.00 2.51 O ATOM 1610 CB HIS A 174 -4.610 -3.893 5.967 1.00 2.51 C ATOM 1611 CG HIS A 174 -3.985 -3.292 7.187 1.00 3.44 C ATOM 1612 ND1 HIS A 174 -3.513 -1.996 7.225 1.00 4.94 N ATOM 1613 CD2 HIS A 174 -3.821 -3.790 8.437 1.00 5.76 C ATOM 1614 CE1 HIS A 174 -3.044 -1.735 8.436 1.00 6.81 C ATOM 1615 NE2 HIS A 174 -3.210 -2.811 9.184 1.00 5.22 N ATOM 1616 H HIS A 174 -5.541 -5.238 4.033 1.00 0.00 H ATOM 1617 N GLU A 175 -4.679 -6.913 6.711 1.00 1.55 N ATOM 1618 CA GLU A 175 -4.569 -7.968 7.736 1.00 1.89 C ATOM 1619 C GLU A 175 -3.714 -9.133 7.260 1.00 2.22 C ATOM 1620 O GLU A 175 -2.919 -9.683 8.019 1.00 3.02 O ATOM 1621 CB GLU A 175 -5.932 -8.463 8.208 1.00 3.11 C ATOM 1622 CG GLU A 175 -6.807 -7.388 8.797 1.00 3.62 C ATOM 1623 CD GLU A 175 -6.116 -6.509 9.844 1.00 6.65 C ATOM 1624 OE1 GLU A 175 -6.518 -5.339 9.973 1.00 11.68 O ATOM 1625 OE2 GLU A 175 -5.211 -6.994 10.558 1.00 10.68 O ATOM 1626 H GLU A 175 -5.584 -6.749 6.226 1.00 0.00 H ATOM 1627 N ILE A 176 -3.871 -9.523 6.002 1.00 2.37 N ATOM 1628 CA ILE A 176 -3.058 -10.625 5.485 1.00 2.89 C ATOM 1629 C ILE A 176 -1.570 -10.229 5.542 1.00 2.48 C ATOM 1630 O ILE A 176 -0.719 -11.028 5.937 1.00 2.96 O ATOM 1631 CB ILE A 176 -3.478 -11.036 4.052 1.00 3.50 C ATOM 1632 CG1 ILE A 176 -4.896 -11.600 4.093 1.00 2.48 C ATOM 1633 CG2 ILE A 176 -2.460 -12.015 3.454 1.00 4.67 C ATOM 1634 CD1 ILE A 176 -5.476 -11.953 2.719 1.00 4.27 C ATOM 1635 H ILE A 176 -4.565 -9.050 5.389 1.00 0.00 H ATOM 1636 N ASP A 177 -1.266 -8.981 5.185 1.00 2.25 N ATOM 1637 CA ASP A 177 0.121 -8.474 5.333 1.00 3.17 C ATOM 1638 C ASP A 177 0.673 -8.733 6.731 1.00 3.71 C ATOM 1639 O ASP A 177 1.846 -9.133 6.873 1.00 3.69 O ATOM 1640 CB ASP A 177 0.220 -6.977 5.022 1.00 2.91 C ATOM 1641 CG ASP A 177 0.484 -6.707 3.552 1.00 6.61 C ATOM 1642 OD1 ASP A 177 0.757 -7.686 2.783 1.00 6.71 O ATOM 1643 OD2 ASP A 177 0.435 -5.504 3.196 1.00 7.24 O ATOM 1644 H ASP A 177 -2.005 -8.359 4.800 1.00 0.00 H ATOM 1645 N HIS A 178 -0.140 -8.516 7.781 1.00 3.34 N ATOM 1646 CA HIS A 178 0.349 -8.792 9.140 1.00 3.62 C ATOM 1647 C HIS A 178 0.819 -10.200 9.368 1.00 4.23 C ATOM 1648 O HIS A 178 1.778 -10.398 10.111 1.00 4.89 O ATOM 1649 CB HIS A 178 -0.689 -8.498 10.207 1.00 4.08 C ATOM 1650 CG HIS A 178 -0.797 -7.053 10.561 1.00 4.19 C ATOM 1651 ND1 HIS A 178 0.287 -6.289 10.953 1.00 5.12 N ATOM 1652 CD2 HIS A 178 -1.880 -6.238 10.643 1.00 6.03 C ATOM 1653 CE1 HIS A 178 -0.126 -5.059 11.220 1.00 6.60 C ATOM 1654 NE2 HIS A 178 -1.431 -5.006 11.035 1.00 9.68 N ATOM 1655 H HIS A 178 -1.105 -8.157 7.633 1.00 0.00 H ATOM 1656 N ILE A 179 0.115 -11.175 8.801 1.00 3.25 N ATOM 1657 CA ILE A 179 0.506 -12.580 9.003 1.00 4.49 C ATOM 1658 C ILE A 179 1.678 -12.975 8.100 1.00 5.29 C ATOM 1659 O ILE A 179 2.211 -14.084 8.231 1.00 6.39 O ATOM 1660 CB ILE A 179 -0.697 -13.544 8.887 1.00 4.21 C ATOM 1661 CG1 ILE A 179 -1.378 -13.420 7.516 1.00 4.02 C ATOM 1662 CG2 ILE A 179 -1.704 -13.251 10.010 1.00 5.74 C ATOM 1663 CD1 ILE A 179 -2.378 -14.514 7.259 1.00 5.93 C ATOM 1664 H ILE A 179 -0.712 -10.945 8.214 1.00 0.00 H ATOM 1665 N ASP A 180 2.075 -12.073 7.184 1.00 5.08 N ATOM 1666 CA ASP A 180 3.313 -12.258 6.394 1.00 6.02 C ATOM 1667 C ASP A 180 4.475 -11.374 6.868 1.00 6.44 C ATOM 1668 O ASP A 180 5.553 -11.397 6.266 1.00 7.17 O ATOM 1669 CB ASP A 180 3.060 -11.999 4.897 1.00 6.84 C ATOM 1670 CG ASP A 180 2.189 -13.067 4.261 1.00 9.92 C ATOM 1671 OD1 ASP A 180 2.028 -14.152 4.875 1.00 9.30 O ATOM 1672 OD2 ASP A 180 1.659 -12.808 3.149 1.00 13.17 O ATOM 1673 H ASP A 180 1.497 -11.223 7.027 1.00 0.00 H ATOM 1674 N GLY A 181 4.257 -10.593 7.921 1.00 5.48 N ATOM 1675 CA GLY A 181 5.323 -9.765 8.504 1.00 6.98 C ATOM 1676 C GLY A 181 5.509 -8.458 7.742 1.00 6.80 C ATOM 1677 O GLY A 181 6.579 -7.831 7.792 1.00 8.08 O ATOM 1678 H GLY A 181 3.307 -10.567 8.344 1.00 0.00 H ATOM 1679 N ILE A 182 4.450 -8.018 7.059 1.00 5.77 N ATOM 1680 CA ILE A 182 4.501 -6.788 6.257 1.00 7.22 C ATOM 1681 C ILE A 182 3.653 -5.690 6.950 1.00 6.33 C ATOM 1682 O ILE A 182 2.543 -5.986 7.442 1.00 6.16 O ATOM 1683 CB ILE A 182 4.013 -7.084 4.821 1.00 6.77 C ATOM 1684 CG1 ILE A 182 4.972 -8.052 4.123 1.00 7.61 C ATOM 1685 CG2 ILE A 182 3.835 -5.808 4.040 1.00 8.31 C ATOM 1686 CD1 ILE A 182 4.442 -8.720 2.857 1.00 9.27 C ATOM 1687 H ILE A 182 3.564 -8.561 7.096 1.00 0.00 H ATOM 1688 N MET A 183 4.206 -4.468 7.014 1.00 7.43 N ATOM 1689 CA MET A 183 3.584 -3.306 7.659 1.00 7.14 C ATOM 1690 C MET A 183 3.082 -2.339 6.585 1.00 7.03 C ATOM 1691 O MET A 183 3.691 -2.240 5.524 1.00 7.70 O ATOM 1692 CB MET A 183 4.590 -2.551 8.540 1.00 8.82 C ATOM 1693 CG MET A 183 5.192 -3.382 9.662 1.00 10.49 C ATOM 1694 SD MET A 183 3.985 -3.731 10.960 1.00 14.77 S ATOM 1695 CE MET A 183 3.745 -2.098 11.661 1.00 13.71 C ATOM 1696 H MET A 183 5.140 -4.336 6.576 1.00 0.00 H ATOM 1697 N PHE A 184 2.023 -1.599 6.889 1.00 6.14 N ATOM 1698 CA PHE A 184 1.372 -0.786 5.874 1.00 6.27 C ATOM 1699 C PHE A 184 2.338 0.161 5.193 1.00 7.08 C ATOM 1700 O PHE A 184 2.279 0.366 3.971 1.00 7.58 O ATOM 1701 CB PHE A 184 0.123 -0.078 6.418 1.00 5.92 C ATOM 1702 CG PHE A 184 0.399 1.075 7.348 1.00 6.92 C ATOM 1703 CD1 PHE A 184 0.366 2.395 6.887 1.00 9.00 C ATOM 1704 CD2 PHE A 184 0.664 0.845 8.688 1.00 9.96 C ATOM 1705 CE1 PHE A 184 0.589 3.468 7.764 1.00 10.16 C ATOM 1706 CE2 PHE A 184 0.895 1.915 9.583 1.00 9.20 C ATOM 1707 CZ PHE A 184 0.862 3.227 9.112 1.00 11.67 C ATOM 1708 H PHE A 184 1.655 -1.601 7.862 1.00 0.00 H ATOM 1709 N TYR A 185 3.259 0.719 5.973 1.00 7.48 N ATOM 1710 CA TYR A 185 4.170 1.723 5.395 1.00 9.11 C ATOM 1711 C TYR A 185 5.205 1.155 4.421 1.00 9.05 C ATOM 1712 O TYR A 185 5.834 1.918 3.645 1.00 10.51 O ATOM 1713 CB TYR A 185 4.797 2.587 6.477 1.00 10.53 C ATOM 1714 CG TYR A 185 5.355 1.822 7.665 1.00 9.71 C ATOM 1715 CD1 TYR A 185 4.732 1.913 8.906 1.00 11.27 C ATOM 1716 CD2 TYR A 185 6.537 1.084 7.562 1.00 11.36 C ATOM 1717 CE1 TYR A 185 5.233 1.247 10.019 1.00 10.81 C ATOM 1718 CE2 TYR A 185 7.055 0.408 8.687 1.00 11.46 C ATOM 1719 CZ TYR A 185 6.392 0.506 9.900 1.00 12.36 C ATOM 1720 OH TYR A 185 6.883 -0.148 11.011 1.00 13.60 O ATOM 1721 HH TYR A 185 6.291 0.029 11.785 1.00 0.00 H ATOM 1722 H TYR A 185 3.335 0.451 6.975 1.00 0.00 H ATOM 1723 N ASP A 186 5.351 -0.173 4.423 1.00 8.41 N ATOM 1724 CA ASP A 186 6.193 -0.860 3.429 1.00 9.49 C ATOM 1725 C ASP A 186 5.693 -0.580 2.007 1.00 9.40 C ATOM 1726 O ASP A 186 6.452 -0.691 1.039 1.00 10.51 O ATOM 1727 CB ASP A 186 6.195 -2.366 3.668 1.00 9.10 C ATOM 1728 CG ASP A 186 6.848 -2.768 4.996 1.00 10.05 C ATOM 1729 OD1 ASP A 186 7.481 -1.920 5.661 1.00 11.37 O ATOM 1730 OD2 ASP A 186 6.724 -3.964 5.358 1.00 11.06 O ATOM 1731 H ASP A 186 4.857 -0.736 5.145 1.00 0.00 H ATOM 1732 N ARG A 187 4.414 -0.218 1.911 1.00 8.79 N ATOM 1733 CA ARG A 187 3.724 -0.055 0.622 1.00 10.02 C ATOM 1734 C ARG A 187 3.466 1.419 0.284 1.00 10.52 C ATOM 1735 O ARG A 187 2.704 1.707 -0.620 1.00 10.34 O ATOM 1736 CB ARG A 187 2.401 -0.853 0.601 1.00 9.19 C ATOM 1737 CG ARG A 187 2.576 -2.367 0.891 1.00 8.41 C ATOM 1738 CD ARG A 187 1.321 -3.170 0.561 1.00 9.66 C ATOM 1739 NE ARG A 187 1.471 -4.592 0.877 1.00 9.30 N ATOM 1740 CZ ARG A 187 2.114 -5.480 0.110 1.00 12.82 C ATOM 1741 NH1 ARG A 187 2.209 -6.750 0.495 1.00 9.55 N ATOM 1742 NH2 ARG A 187 2.664 -5.105 -1.041 1.00 13.07 N ATOM 1743 HE ARG A 187 1.047 -4.937 1.762 1.00 0.00 H ATOM 1744 HH12 ARG A 187 2.709 -7.439 -0.103 1.00 0.00 H ATOM 1745 HH11 ARG A 187 1.783 -7.054 1.394 1.00 0.00 H ATOM 1746 HH22 ARG A 187 3.162 -5.802 -1.631 1.00 0.00 H ATOM 1747 HH21 ARG A 187 2.596 -4.115 -1.351 1.00 0.00 H ATOM 1748 H ARG A 187 3.880 -0.043 2.786 1.00 0.00 H ATOM 1749 N ILE A 188 4.110 2.335 1.018 1.00 10.72 N ATOM 1750 CA ILE A 188 4.051 3.766 0.725 1.00 11.89 C ATOM 1751 C ILE A 188 5.331 4.182 -0.017 1.00 13.53 C ATOM 1752 O ILE A 188 6.432 3.799 0.379 1.00 13.58 O ATOM 1753 CB ILE A 188 3.910 4.625 2.026 1.00 11.81 C ATOM 1754 CG1 ILE A 188 2.639 4.244 2.790 1.00 10.57 C ATOM 1755 CG2 ILE A 188 3.967 6.106 1.698 1.00 14.34 C ATOM 1756 CD1 ILE A 188 2.470 4.937 4.155 1.00 10.45 C ATOM 1757 H ILE A 188 4.676 2.015 1.830 1.00 0.00 H ATOM 1758 N ASN A 189 5.169 4.988 -1.073 1.00 14.35 N ATOM 1759 CA ASN A 189 6.303 5.431 -1.907 1.00 17.64 C ATOM 1760 C ASN A 189 7.371 6.065 -1.017 1.00 19.33 C ATOM 1761 O ASN A 189 7.039 6.865 -0.151 1.00 18.82 O ATOM 1762 CB ASN A 189 5.821 6.449 -2.939 1.00 18.60 C ATOM 1763 CG ASN A 189 6.904 6.834 -3.943 1.00 22.39 C ATOM 1764 OD1 ASN A 189 7.850 7.549 -3.617 1.00 25.16 O ATOM 1765 ND2 ASN A 189 6.768 6.350 -5.164 1.00 24.86 N ATOM 1766 HD22 ASN A 189 5.952 5.749 -5.397 1.00 0.00 H ATOM 1767 HD21 ASN A 189 7.477 6.570 -5.893 1.00 0.00 H ATOM 1768 H ASN A 189 4.211 5.313 -1.314 1.00 0.00 H ATOM 1769 N GLU A 190 8.631 5.698 -1.231 1.00 21.62 N ATOM 1770 CA GLU A 190 9.727 6.108 -0.327 1.00 24.60 C ATOM 1771 C GLU A 190 10.100 7.576 -0.473 1.00 27.22 C ATOM 1772 O GLU A 190 10.543 8.214 0.498 1.00 29.41 O ATOM 1773 CB GLU A 190 10.979 5.240 -0.533 1.00 24.89 C ATOM 1774 CG GLU A 190 10.839 3.760 -0.173 1.00 24.94 C ATOM 1775 CD GLU A 190 10.412 3.516 1.280 1.00 25.80 C ATOM 1776 OE1 GLU A 190 9.752 2.490 1.547 1.00 23.52 O ATOM 1777 OE2 GLU A 190 10.723 4.352 2.159 1.00 25.90 O ATOM 1778 H GLU A 190 8.852 5.106 -2.057 1.00 0.00 H ATOM 1779 N LYS A 191 9.931 8.103 -1.681 1.00 28.38 N ATOM 1780 CA LYS A 191 10.364 9.463 -2.003 1.00 30.50 C ATOM 1781 C LYS A 191 9.233 10.480 -1.919 1.00 30.66 C ATOM 1782 O LYS A 191 9.413 11.562 -1.350 1.00 32.19 O ATOM 1783 CB LYS A 191 11.041 9.506 -3.371 1.00 31.58 C ATOM 1784 H LYS A 191 9.477 7.531 -2.421 1.00 0.00 H ATOM 1785 N ASN A 192 8.072 10.139 -2.483 1.00 28.89 N ATOM 1786 CA ASN A 192 6.892 10.990 -2.368 1.00 28.39 C ATOM 1787 C ASN A 192 5.694 10.162 -1.905 1.00 25.87 C ATOM 1788 O ASN A 192 5.090 9.453 -2.715 1.00 24.04 O ATOM 1789 CB ASN A 192 6.575 11.690 -3.698 1.00 30.54 C ATOM 1790 CG ASN A 192 5.310 12.576 -3.623 1.00 32.21 C ATOM 1791 OD1 ASN A 192 4.689 12.739 -2.555 1.00 33.68 O ATOM 1792 ND2 ASN A 192 4.924 13.150 -4.772 1.00 36.60 N ATOM 1793 HD22 ASN A 192 5.470 12.989 -5.643 1.00 0.00 H ATOM 1794 HD21 ASN A 192 4.079 13.756 -4.792 1.00 0.00 H ATOM 1795 H ASN A 192 8.007 9.248 -3.016 1.00 0.00 H ATOM 1796 N PRO A 193 5.346 10.252 -0.607 1.00 24.58 N ATOM 1797 CA PRO A 193 4.247 9.445 -0.060 1.00 22.91 C ATOM 1798 C PRO A 193 2.927 9.576 -0.834 1.00 23.06 C ATOM 1799 O PRO A 193 2.102 8.667 -0.780 1.00 21.10 O ATOM 1800 CB PRO A 193 4.068 9.984 1.362 1.00 22.89 C ATOM 1801 CG PRO A 193 5.374 10.622 1.710 1.00 24.07 C ATOM 1802 CD PRO A 193 5.986 11.101 0.418 1.00 25.67 C ATOM 1803 N PHE A 194 2.724 10.707 -1.514 1.00 23.78 N ATOM 1804 CA PHE A 194 1.471 10.927 -2.251 1.00 24.91 C ATOM 1805 C PHE A 194 1.581 10.805 -3.769 1.00 25.62 C ATOM 1806 O PHE A 194 0.676 11.258 -4.495 1.00 25.98 O ATOM 1807 CB PHE A 194 0.788 12.224 -1.824 1.00 25.96 C ATOM 1808 CG PHE A 194 0.435 12.252 -0.365 1.00 26.39 C ATOM 1809 CD1 PHE A 194 -0.684 11.566 0.107 1.00 25.68 C ATOM 1810 CD2 PHE A 194 1.235 12.948 0.545 1.00 26.81 C ATOM 1811 CE1 PHE A 194 -1.014 11.574 1.464 1.00 26.34 C ATOM 1812 CE2 PHE A 194 0.908 12.970 1.905 1.00 27.50 C ATOM 1813 CZ PHE A 194 -0.216 12.274 2.361 1.00 27.01 C ATOM 1814 H PHE A 194 3.461 11.441 -1.522 1.00 0.00 H ATOM 1815 N ALA A 195 2.662 10.175 -4.237 1.00 25.62 N ATOM 1816 CA ALA A 195 2.829 9.893 -5.667 1.00 26.77 C ATOM 1817 C ALA A 195 1.638 9.084 -6.168 1.00 26.47 C ATOM 1818 O ALA A 195 1.137 8.208 -5.465 1.00 25.13 O ATOM 1819 CB ALA A 195 4.106 9.139 -5.925 1.00 27.10 C ATOM 1820 H ALA A 195 3.403 9.877 -3.571 1.00 0.00 H ATOM 1821 N VAL A 196 1.172 9.398 -7.370 1.00 27.46 N ATOM 1822 CA VAL A 196 0.085 8.649 -7.979 1.00 27.60 C ATOM 1823 C VAL A 196 0.553 8.140 -9.333 1.00 28.42 C ATOM 1824 O VAL A 196 0.774 8.929 -10.259 1.00 30.13 O ATOM 1825 CB VAL A 196 -1.172 9.517 -8.165 1.00 28.04 C ATOM 1826 CG1 VAL A 196 -2.237 8.773 -8.971 1.00 28.59 C ATOM 1827 CG2 VAL A 196 -1.731 9.955 -6.816 1.00 28.03 C ATOM 1828 H VAL A 196 1.593 10.196 -7.887 1.00 0.00 H ATOM 1829 N LYS A 197 0.728 6.827 -9.441 1.00 27.38 N ATOM 1830 CA LYS A 197 0.988 6.203 -10.726 1.00 27.84 C ATOM 1831 C LYS A 197 -0.343 6.117 -11.464 1.00 27.20 C ATOM 1832 O LYS A 197 -1.361 5.667 -10.912 1.00 26.09 O ATOM 1833 CB LYS A 197 1.608 4.816 -10.552 1.00 26.93 C ATOM 1834 CG LYS A 197 2.034 4.156 -11.871 1.00 29.09 C ATOM 1835 CD LYS A 197 3.008 2.989 -11.669 1.00 29.90 C ATOM 1836 CE LYS A 197 2.324 1.768 -11.061 1.00 34.05 C ATOM 1837 NZ LYS A 197 3.149 0.510 -11.125 1.00 36.28 N ATOM 1838 HZ1 LYS A 197 3.357 0.284 -12.118 1.00 0.00 H ATOM 1839 HZ2 LYS A 197 4.039 0.654 -10.607 1.00 0.00 H ATOM 1840 HZ3 LYS A 197 2.618 -0.273 -10.693 1.00 0.00 H ATOM 1841 H LYS A 197 0.678 6.234 -8.588 1.00 0.00 H ATOM 1842 N GLU A 198 -0.323 6.568 -12.713 1.00 27.42 N ATOM 1843 CA GLU A 198 -1.502 6.603 -13.551 1.00 26.54 C ATOM 1844 C GLU A 198 -2.322 5.315 -13.433 1.00 24.15 C ATOM 1845 O GLU A 198 -1.786 4.218 -13.575 1.00 23.97 O ATOM 1846 CB GLU A 198 -1.060 6.791 -14.991 1.00 28.28 C ATOM 1847 CG GLU A 198 -2.142 7.271 -15.838 1.00 30.27 C ATOM 1848 CD GLU A 198 -1.721 7.387 -17.282 1.00 28.96 C ATOM 1849 OE1 GLU A 198 -0.885 6.580 -17.756 1.00 30.99 O ATOM 1850 OE2 GLU A 198 -2.240 8.289 -17.936 1.00 34.19 O ATOM 1851 H GLU A 198 0.577 6.910 -13.105 1.00 0.00 H ATOM 1852 N GLY A 199 -3.613 5.463 -13.174 1.00 23.68 N ATOM 1853 CA GLY A 199 -4.504 4.321 -13.107 1.00 21.52 C ATOM 1854 C GLY A 199 -4.778 3.874 -11.683 1.00 19.89 C ATOM 1855 O GLY A 199 -5.653 3.039 -11.466 1.00 18.88 O ATOM 1856 H GLY A 199 -3.995 6.417 -13.016 1.00 0.00 H ATOM 1857 N LEU A 200 -4.049 4.438 -10.714 1.00 18.83 N ATOM 1858 CA LEU A 200 -4.318 4.136 -9.299 1.00 18.48 C ATOM 1859 C LEU A 200 -5.737 4.546 -8.933 1.00 18.67 C ATOM 1860 O LEU A 200 -6.139 5.693 -9.161 1.00 19.70 O ATOM 1861 CB LEU A 200 -3.349 4.891 -8.384 1.00 17.85 C ATOM 1862 CG LEU A 200 -3.519 4.734 -6.875 1.00 16.87 C ATOM 1863 CD1 LEU A 200 -3.141 3.323 -6.464 1.00 15.26 C ATOM 1864 CD2 LEU A 200 -2.664 5.759 -6.131 1.00 18.49 C ATOM 1865 H LEU A 200 -3.284 5.097 -10.963 1.00 0.00 H ATOM 1866 N LEU A 201 -6.479 3.613 -8.344 1.00 17.18 N ATOM 1867 CA LEU A 201 -7.827 3.887 -7.891 1.00 18.09 C ATOM 1868 C LEU A 201 -7.778 4.463 -6.472 1.00 18.24 C ATOM 1869 O LEU A 201 -7.441 3.750 -5.508 1.00 16.56 O ATOM 1870 CB LEU A 201 -8.680 2.613 -7.976 1.00 17.67 C ATOM 1871 CG LEU A 201 -10.161 2.678 -7.586 1.00 19.15 C ATOM 1872 CD1 LEU A 201 -10.979 3.518 -8.576 1.00 21.03 C ATOM 1873 CD2 LEU A 201 -10.723 1.264 -7.505 1.00 18.15 C ATOM 1874 H LEU A 201 -6.081 2.662 -8.205 1.00 0.00 H ATOM 1875 N ILE A 202 -8.101 5.749 -6.339 1.00 19.23 N ATOM 1876 CA ILE A 202 -8.089 6.390 -5.026 1.00 20.45 C ATOM 1877 C ILE A 202 -9.488 6.317 -4.411 1.00 21.00 C ATOM 1878 O ILE A 202 -10.458 6.852 -4.964 1.00 22.55 O ATOM 1879 CB ILE A 202 -7.521 7.847 -5.086 1.00 21.67 C ATOM 1880 CG1 ILE A 202 -6.064 7.815 -5.576 1.00 21.76 C ATOM 1881 CG2 ILE A 202 -7.621 8.516 -3.708 1.00 22.50 C ATOM 1882 CD1 ILE A 202 -5.422 9.183 -5.791 1.00 23.82 C ATOM 1883 H ILE A 202 -8.365 6.303 -7.179 1.00 0.00 H ATOM 1884 N LEU A 203 -9.595 5.599 -3.292 1.00 19.87 N ATOM 1885 CA LEU A 203 -10.880 5.349 -2.644 1.00 20.00 C ATOM 1886 C LEU A 203 -11.207 6.402 -1.586 1.00 21.65 C ATOM 1887 O LEU A 203 -10.438 6.615 -0.653 1.00 20.00 O ATOM 1888 CB LEU A 203 -10.902 3.944 -2.021 1.00 18.16 C ATOM 1889 CG LEU A 203 -10.599 2.786 -2.991 1.00 17.71 C ATOM 1890 CD1 LEU A 203 -10.293 1.518 -2.228 1.00 17.20 C ATOM 1891 CD2 LEU A 203 -11.755 2.548 -3.948 1.00 21.72 C ATOM 1892 H LEU A 203 -8.733 5.203 -2.866 1.00 0.00 H ATOM 1893 N GLU A 204 -12.362 7.048 -1.735 1.00 24.73 N ATOM 1894 CA GLU A 204 -12.768 8.099 -0.800 1.00 27.25 C ATOM 1895 C GLU A 204 -13.573 7.514 0.356 1.00 28.31 C ATOM 1896 O GLU A 204 -13.174 6.506 0.956 1.00 28.71 O ATOM 1897 CB GLU A 204 -13.568 9.166 -1.518 1.00 29.56 C ATOM 1898 OXT GLU A 204 -14.622 8.113 0.671 1.00 98.55 O ATOM 1899 H GLU A 204 -12.986 6.802 -2.529 1.00 0.00 H TER 1900 GLU A 204 HETATM 1901 ZN ZN A 1 -2.707 -3.351 11.105 1.00 14.36 ZN HETATM 1902 ZN ZN A 2 -19.266 -7.249 24.587 1.00 19.43 ZN HETATM 1903 ZN ZN A 3 0.293 -11.177 -8.286 1.00 23.63 ZN HETATM 1904 ZN ZN A 4 9.492 3.935 3.732 1.00 16.40 ZN HETATM 1905 ZN ZN A 5 -0.223 -9.034 -3.556 1.00 15.58 ZN HETATM 1906 ZN ZN A 6 -5.587 -7.885 28.318 1.00 34.43 ZN HETATM 1907 ZN ZN A 7 -16.566 -21.221 20.344 1.00 43.04 ZN HETATM 1908 ZN ZN A 8 -7.414 -22.438 -4.795 1.00 24.41 ZN HETATM 1909 ZN ZN A 9 4.746 -24.871 9.535 1.00 53.24 ZN HETATM 1910 O HOH 10 -14.704 -25.958 20.492 1.00 38.70 O HETATM 1911 O HOH 11 6.803 -11.668 22.298 1.00 20.98 O HETATM 1912 O HOH 12 -17.900 -16.925 10.273 1.00 34.12 O HETATM 1913 O HOH 13 -17.830 -17.971 2.008 1.00 24.80 O HETATM 1914 O HOH 14 -4.908 -26.466 15.534 1.00 30.32 O HETATM 1915 O HOH 15 -28.162 8.176 13.563 1.00 38.99 O HETATM 1916 O HOH 16 -2.292 -20.335 3.504 1.00 31.95 O HETATM 1917 O HOH 17 6.079 -24.822 11.150 1.00 25.91 O HETATM 1918 O HOH 18 -12.403 10.877 3.919 1.00 44.88 O HETATM 1919 O HOH 19 -18.755 -22.970 7.776 1.00 19.48 O HETATM 1920 O HOH 20 -2.472 -24.760 14.689 1.00 25.47 O HETATM 1921 O HOH 21 -0.341 13.389 -5.334 1.00 33.04 O HETATM 1922 O HOH 22 -16.458 -15.476 11.643 1.00 31.78 O HETATM 1923 O HOH 23 -1.516 4.159 13.338 1.00 20.01 O HETATM 1924 O HOH 24 -6.315 11.616 -1.482 1.00 40.96 O HETATM 1925 O HOH 25 -4.765 -5.948 28.608 1.00 21.16 O HETATM 1926 O HOH 26 -7.848 -6.724 29.226 1.00 36.95 O HETATM 1927 O HOH 27 -2.404 -18.405 4.811 1.00 20.76 O HETATM 1928 O HOH 28 -25.561 -9.819 1.902 1.00 29.39 O HETATM 1929 O HOH 29 10.205 0.305 2.821 1.00 37.97 O HETATM 1930 O HOH 30 0.982 -1.162 -10.380 1.00 39.90 O HETATM 1931 O HOH 31 0.169 -3.789 5.112 1.00 13.34 O HETATM 1932 O HOH 32 -10.671 12.264 2.472 1.00 47.72 O HETATM 1933 O HOH 33 -16.773 -25.106 18.489 1.00 40.85 O HETATM 1934 O HOH 34 -0.549 -11.265 -0.111 1.00 23.62 O HETATM 1935 O HOH 35 -0.276 5.911 11.748 1.00 32.72 O HETATM 1936 O HOH 36 -22.501 -1.536 24.676 1.00 39.47 O HETATM 1937 O HOH 37 -5.740 -3.945 30.626 1.00 32.98 O HETATM 1938 O HOH 38 2.543 6.023 -1.717 1.00 15.02 O HETATM 1939 O HOH 39 -28.808 6.385 14.709 1.00 25.51 O HETATM 1940 O HOH 40 -1.132 6.678 9.556 1.00 32.44 O HETATM 1941 O HOH 41 2.224 -2.467 -2.610 1.00 28.06 O HETATM 1942 O HOH 42 -30.582 7.003 13.510 1.00 35.37 O HETATM 1943 O HOH 43 -19.997 -2.891 17.790 1.00 21.97 O HETATM 1944 O HOH 44 5.084 3.310 16.886 1.00 23.50 O HETATM 1945 O HOH 45 -23.502 -1.217 10.993 1.00 27.70 O HETATM 1946 O HOH 46 3.037 -22.311 8.241 1.00 20.24 O HETATM 1947 O HOH 47 3.279 -11.576 24.981 1.00 42.71 O HETATM 1948 O HOH 48 -19.883 -2.631 15.059 1.00 25.41 O HETATM 1949 O HOH 49 8.169 2.598 4.674 1.00 14.17 O HETATM 1950 O HOH 50 -4.945 -21.061 2.670 1.00 25.30 O HETATM 1951 O HOH 51 -17.335 -23.977 1.316 1.00 17.99 O HETATM 1952 O HOH 52 -2.417 -4.849 -8.363 1.00 13.89 O HETATM 1953 O HOH 53 8.503 -2.194 11.493 1.00 23.84 O HETATM 1954 O HOH 54 -31.838 0.198 5.399 1.00 12.00 O HETATM 1955 O HOH 55 -14.835 -12.968 25.744 1.00 30.39 O HETATM 1956 O HOH 56 -1.014 -10.038 23.729 1.00 21.12 O HETATM 1957 O HOH 57 -24.987 7.949 4.406 1.00 34.12 O HETATM 1958 O HOH 58 -12.215 -9.593 23.446 1.00 12.83 O HETATM 1959 O HOH 59 -3.272 -24.193 20.074 1.00 35.27 O HETATM 1960 O HOH 60 2.098 5.864 -4.619 1.00 22.94 O HETATM 1961 O HOH 61 -3.908 -26.338 7.808 1.00 29.25 O HETATM 1962 O HOH 62 -5.938 -8.109 30.468 1.00 22.78 O HETATM 1963 O HOH 63 -4.024 -21.895 28.969 1.00 38.66 O HETATM 1964 O HOH 64 -6.161 2.601 26.085 1.00 29.76 O HETATM 1965 O HOH 65 -10.885 -7.633 -11.302 1.00 35.21 O HETATM 1966 O HOH 66 -16.738 -13.215 19.095 1.00 24.42 O HETATM 1967 O HOH 67 -12.921 -18.561 16.138 1.00 20.23 O HETATM 1968 O HOH 68 -34.683 -2.319 -1.117 1.00 36.80 O HETATM 1969 O HOH 69 -0.261 -14.602 2.511 1.00 18.70 O HETATM 1970 O HOH 70 -17.501 -16.434 -3.554 1.00 12.66 O HETATM 1971 O HOH 71 -18.700 -26.236 8.358 1.00 30.79 O HETATM 1972 O HOH 72 -3.359 -10.075 -12.131 1.00 23.96 O HETATM 1973 O HOH 73 8.543 -4.958 14.537 1.00 24.18 O HETATM 1974 O HOH 74 -3.898 4.685 1.539 1.00 15.78 O HETATM 1975 O HOH 75 8.230 -10.877 20.559 1.00 32.40 O HETATM 1976 O HOH 76 -33.975 7.327 2.795 1.00 19.29 O HETATM 1977 O HOH 77 3.274 -12.533 11.125 1.00 13.16 O HETATM 1978 O HOH 78 -4.720 2.017 1.123 1.00 12.04 O HETATM 1979 O HOH 79 -0.541 -15.149 -1.837 1.00 29.75 O HETATM 1980 O HOH 80 -7.018 -0.439 26.294 1.00 18.16 O HETATM 1981 O HOH 81 -10.143 -28.035 6.529 1.00 29.56 O HETATM 1982 O HOH 82 0.450 -2.550 8.902 1.00 16.66 O HETATM 1983 O HOH 83 -10.248 -1.471 -3.658 1.00 18.96 O HETATM 1984 O HOH 84 -18.009 -18.380 7.521 1.00 41.57 O HETATM 1985 O HOH 85 6.201 -17.811 13.235 1.00 25.38 O HETATM 1986 O HOH 86 3.089 -19.781 7.111 1.00 20.01 O HETATM 1987 O HOH 87 -11.602 5.608 27.482 1.00 40.68 O HETATM 1988 O HOH 88 2.607 -7.856 11.421 1.00 21.44 O HETATM 1989 O HOH 89 0.806 -10.329 2.080 1.00 16.11 O HETATM 1990 O HOH 90 -10.472 2.248 30.395 1.00 31.79 O HETATM 1991 O HOH 91 -1.932 2.233 19.345 1.00 39.01 O HETATM 1992 O HOH 92 -27.475 2.972 4.491 1.00 24.01 O HETATM 1993 O HOH 93 -0.047 -3.427 -11.395 1.00 31.46 O HETATM 1994 O HOH 94 6.451 -14.862 17.910 1.00 33.64 O HETATM 1995 O HOH 95 -4.120 11.051 3.138 1.00 37.86 O HETATM 1996 O HOH 96 -22.366 -10.136 8.909 1.00 30.52 O HETATM 1997 O HOH 97 -16.786 -15.900 2.208 1.00 38.90 O HETATM 1998 O HOH 98 -2.410 13.360 -3.883 1.00 40.20 O HETATM 1999 O HOH 99 1.668 -3.463 24.401 1.00 35.85 O HETATM 2000 O HOH 100 -28.294 -2.782 10.190 1.00 27.19 O HETATM 2001 O HOH 101 -1.607 -13.744 0.348 1.00 13.06 O HETATM 2002 O HOH 102 -6.030 -13.170 31.422 1.00 32.00 O HETATM 2003 O HOH 103 0.096 2.138 -8.539 1.00 21.84 O HETATM 2004 O HOH 104 3.926 -13.221 13.684 1.00 13.07 O HETATM 2005 O HOH 105 9.208 -15.853 10.276 1.00 21.92 O HETATM 2006 O HOH 106 -22.521 -8.642 4.351 1.00 41.80 O HETATM 2007 O HOH 107 6.321 -9.443 23.140 1.00 29.75 O HETATM 2008 O HOH 108 -1.737 -4.925 -0.493 1.00 12.17 O HETATM 2009 O HOH 109 5.166 7.722 4.989 1.00 19.47 O HETATM 2010 O HOH 110 -15.221 -16.880 23.337 1.00 36.22 O HETATM 2011 O HOH 111 -19.645 -11.063 16.823 1.00 45.16 O HETATM 2012 O HOH 112 11.240 -10.795 13.369 1.00 20.31 O HETATM 2013 O HOH 113 -0.027 -4.904 7.698 1.00 13.69 O HETATM 2014 O HOH 114 -2.204 -18.025 -6.531 1.00 29.19 O HETATM 2015 O HOH 115 7.977 1.290 -0.264 1.00 34.94 O HETATM 2016 O HOH 116 1.975 7.626 -13.926 1.00 33.58 O HETATM 2017 O HOH 117 -8.115 -28.129 22.058 1.00 29.85 O HETATM 2018 O HOH 118 -14.413 -18.494 11.515 1.00 16.74 O HETATM 2019 O HOH 119 -10.397 -8.182 30.732 1.00 23.14 O HETATM 2020 O HOH 120 -12.588 -6.732 23.905 1.00 12.32 O HETATM 2021 O HOH 121 -19.318 -2.550 33.354 1.00 21.85 O HETATM 2022 O HOH 122 -12.536 -2.011 -8.183 1.00 25.40 O HETATM 2023 O HOH 123 -13.405 4.336 30.853 1.00 15.26 O HETATM 2024 O HOH 124 3.202 -20.067 16.056 1.00 27.68 O HETATM 2025 O HOH 125 -9.204 7.290 -8.437 1.00 27.85 O HETATM 2026 O HOH 126 7.651 4.679 2.779 1.00 14.09 O HETATM 2027 O HOH 127 -12.008 -26.877 13.537 1.00 21.94 O HETATM 2028 O HOH 128 -17.153 -1.552 2.948 1.00 33.48 O HETATM 2029 O HOH 129 -9.731 -19.033 -9.407 1.00 35.00 O HETATM 2030 O HOH 130 -3.515 0.991 -11.015 1.00 15.12 O HETATM 2031 O HOH 131 -18.955 -16.235 8.555 1.00 28.68 O HETATM 2032 O HOH 132 -4.642 8.049 -12.539 1.00 36.23 O HETATM 2033 O HOH 133 -9.499 -11.008 -8.318 1.00 24.01 O HETATM 2034 O HOH 134 12.705 8.908 2.238 1.00 33.17 O HETATM 2035 O HOH 135 -1.476 -9.885 26.381 1.00 33.78 O HETATM 2036 O HOH 136 -16.060 3.512 18.374 1.00 47.46 O HETATM 2037 O HOH 137 -15.908 0.142 -0.589 1.00 25.30 O HETATM 2038 O HOH 138 -11.016 -19.435 31.393 1.00 38.29 O HETATM 2039 O HOH 139 -6.818 -7.242 -13.910 1.00 19.09 O HETATM 2040 O HOH 140 1.209 4.649 -17.319 1.00 37.97 O HETATM 2041 O HOH 141 -6.146 -21.976 0.403 1.00 31.59 O HETATM 2042 O HOH 142 -2.732 10.464 -16.107 1.00 39.26 O HETATM 2043 O HOH 143 2.617 11.534 -8.665 1.00 31.46 O HETATM 2044 O HOH 144 -14.847 -26.907 2.905 1.00 27.65 O HETATM 2045 O HOH 145 -15.376 -17.113 15.706 1.00 27.23 O HETATM 2046 O HOH 146 -1.026 6.239 5.405 1.00 17.79 O HETATM 2047 O HOH 147 -9.127 -1.780 29.326 1.00 26.38 O HETATM 2048 O HOH 148 3.307 -17.445 18.711 1.00 26.25 O HETATM 2049 O HOH 149 -12.831 -18.731 27.254 1.00 30.36 O HETATM 2050 O HOH 150 2.710 14.881 -5.499 1.00 40.20 O HETATM 2051 O HOH 151 -1.980 10.247 4.564 1.00 23.59 O HETATM 2052 O HOH 152 -11.892 -1.368 -5.575 1.00 20.28 O HETATM 2053 O HOH 153 -12.113 -27.673 16.308 1.00 36.29 O HETATM 2054 O HOH 154 -14.442 4.218 2.245 1.00 41.41 O HETATM 2055 O HOH 155 -16.032 -2.814 0.362 1.00 21.08 O HETATM 2056 O HOH 156 4.284 2.089 -3.057 1.00 37.54 O HETATM 2057 O HOH 157 -10.405 3.213 -12.763 1.00 29.05 O HETATM 2058 O HOH 158 -7.159 -26.545 -0.229 1.00 29.59 O HETATM 2059 O HOH 159 -18.212 -20.010 20.967 1.00 36.02 O HETATM 2060 O HOH 160 -5.034 -28.791 8.701 1.00 25.16 O HETATM 2061 O HOH 161 0.710 4.896 -7.211 1.00 26.33 O HETATM 2062 O HOH 162 -4.792 -1.496 32.355 1.00 44.89 O HETATM 2063 O HOH 163 7.671 -5.594 3.084 1.00 19.47 O HETATM 2064 O HOH 164 -7.685 5.010 7.319 1.00 42.21 O HETATM 2065 O HOH 165 3.678 -12.874 0.963 1.00 21.47 O HETATM 2066 O HOH 166 -17.049 -13.897 -4.565 1.00 14.28 O HETATM 2067 O HOH 167 4.277 4.866 -5.874 1.00 37.88 O HETATM 2068 O HOH 168 -5.770 -25.091 6.211 1.00 29.21 O HETATM 2069 O HOH 169 -19.337 -11.234 5.817 1.00 25.64 O HETATM 2070 O HOH 170 1.293 -17.605 23.054 1.00 35.95 O HETATM 2071 O HOH 171 -0.051 -23.946 27.740 1.00 43.83 O HETATM 2072 O HOH 172 -30.064 3.008 5.071 1.00 17.18 O HETATM 2073 O HOH 173 -24.249 -7.834 8.083 1.00 24.11 O HETATM 2074 O HOH 174 -19.212 -9.164 23.657 1.00 21.30 O HETATM 2075 O HOH 175 9.217 3.603 -3.357 1.00 29.79 O HETATM 2076 O HOH 176 -26.125 -11.265 5.752 1.00 30.65 O HETATM 2077 O HOH 177 -12.076 -29.124 11.459 1.00 35.37 O HETATM 2078 O HOH 178 -16.150 -6.547 -1.588 1.00 16.73 O HETATM 2079 O HOH 179 -3.786 -8.614 29.907 1.00 42.33 O HETATM 2080 O HOH 180 -6.981 -20.327 -6.848 1.00 25.21 O HETATM 2081 O HOH 181 -23.401 -9.420 13.641 1.00 37.00 O HETATM 2082 O HOH 182 -2.520 8.745 6.887 1.00 35.13 O HETATM 2083 O HOH 183 -23.846 1.752 3.717 1.00 38.31 O HETATM 2084 O HOH 184 -4.016 -23.723 4.386 1.00 39.51 O HETATM 2085 O HOH 185 6.188 -14.050 20.586 1.00 47.29 O HETATM 2086 O HOH 186 0.627 -5.209 -3.789 1.00 34.77 O HETATM 2087 O HOH 187 -3.507 -12.631 -10.185 1.00 23.21 O HETATM 2088 O HOH 188 -10.038 7.074 2.389 1.00 34.53 O HETATM 2089 O HOH 189 -0.011 -12.019 -6.300 1.00 19.79 O HETATM 2090 O HOH 190 -12.056 -16.555 33.477 1.00 29.29 O HETATM 2091 O HOH 191 5.473 -4.684 22.070 1.00 31.90 O HETATM 2092 O HOH 192 -26.521 -2.352 3.534 1.00 22.92 O HETATM 2093 O HOH 193 9.482 -8.297 6.760 1.00 34.68 O HETATM 2094 O HOH 194 -33.759 -4.991 0.494 1.00 36.49 O HETATM 2095 O HOH 195 -12.924 5.440 -6.286 1.00 37.72 O HETATM 2096 O HOH 196 -6.266 -25.723 23.020 1.00 38.86 O HETATM 2097 O HOH 197 -10.749 -25.872 -3.778 1.00 32.93 O HETATM 2098 O HOH 198 -0.461 -11.131 -4.108 1.00 21.86 O HETATM 2099 O HOH 199 -0.200 -22.607 14.471 1.00 33.47 O HETATM 2100 O HOH 200 -27.313 -7.369 9.448 1.00 37.20 O HETATM 2101 O HOH 201 -19.843 -20.026 2.024 1.00 36.65 O HETATM 2102 O HOH 202 -9.364 -7.118 -12.670 1.00 38.26 O HETATM 2103 O HOH 203 0.731 8.706 -19.451 1.00 34.22 O HETATM 2104 O HOH 204 -8.667 -23.087 -6.317 1.00 23.79 O HETATM 2105 O HOH 205 -23.091 -4.892 2.145 1.00 33.55 O HETATM 2106 O HOH 206 -9.712 -23.895 -4.783 1.00 26.72 O HETATM 2107 O HOH 207 0.025 5.904 -20.769 1.00 28.40 O HETATM 2108 O HOH 208 -26.957 1.871 12.368 1.00 42.78 O HETATM 2109 O HOH 209 -18.615 -20.317 10.061 1.00 31.19 O HETATM 2110 O HOH 210 11.907 -11.584 10.525 1.00 35.62 O HETATM 2111 O HOH 211 -11.433 -15.204 -12.514 1.00 42.50 O HETATM 2112 O HOH 212 1.299 -20.648 3.683 1.00 27.79 O HETATM 2113 O HOH 213 0.564 -11.115 -10.710 1.00 25.58 O HETATM 2114 O HOH 214 -28.134 0.271 3.186 1.00 36.39 O HETATM 2115 O HOH 215 -0.966 -13.347 -8.022 1.00 25.47 O HETATM 2116 O HOH 216 -20.554 2.745 10.599 1.00 40.36 O HETATM 2117 O HOH 217 -19.775 -15.670 6.415 1.00 39.68 O HETATM 2118 O HOH 218 -14.138 -29.423 7.680 1.00 42.19 O HETATM 2119 O HOH 219 -14.806 4.607 -2.273 1.00 39.84 O HETATM 2120 O HOH 220 -11.449 5.453 23.963 1.00 42.06 O HETATM 2121 O HOH 221 -6.923 -11.168 31.711 1.00 16.64 O HETATM 2122 O HOH 222 11.113 -4.901 13.922 1.00 40.06 O HETATM 2123 O HOH 223 -18.800 -10.683 21.745 1.00 39.73 O HETATM 2124 O HOH 224 -17.521 -3.987 -1.490 1.00 33.45 O HETATM 2125 O HOH 225 0.988 -17.014 1.717 1.00 17.99 O HETATM 2126 O HOH 226 6.835 -3.561 13.137 1.00 27.85 O HETATM 2127 O HOH 227 -10.835 -4.569 -15.384 1.00 33.69 O HETATM 2128 O HOH 228 0.610 -3.588 -5.239 1.00 38.88 O HETATM 2129 O HOH 229 2.260 -10.978 -0.068 1.00 30.85 O HETATM 2130 O HOH 230 -5.356 -24.488 0.000 1.00 43.25 O HETATM 2131 O HOH 231 -18.203 -10.974 19.024 1.00 30.66 O HETATM 2132 O HOH 232 3.432 -24.312 6.887 1.00 46.35 O HETATM 2133 O HOH 233 -18.190 -14.040 3.353 1.00 40.97 O HETATM 2134 O HOH 234 6.666 1.148 -2.338 1.00 40.62 O HETATM 2135 O HOH 235 -15.975 -28.538 6.255 1.00 48.36 O HETATM 2136 O HOH 236 -0.264 -6.109 -9.754 1.00 23.59 O HETATM 2137 O HOH 237 11.175 -0.617 14.591 1.00 47.89 O HETATM 2138 O HOH 238 10.224 -6.760 21.710 1.00 39.24 O HETATM 2139 O HOH 239 -12.345 -0.259 -13.553 1.00 38.41 O HETATM 2140 O HOH 240 -7.311 -18.174 -8.688 1.00 37.30 O HETATM 2141 O HOH 241 -9.739 -9.769 -10.411 1.00 47.37 O HETATM 2142 O HOH 242 -14.256 0.688 -5.265 1.00 35.33 O HETATM 2143 O HOH 243 5.160 -27.310 10.107 1.00 42.16 O HETATM 2144 O HOH 244 -17.690 -13.667 13.333 1.00 33.66 O HETATM 2145 O HOH 245 10.145 1.575 15.841 1.00 46.46 O HETATM 2146 O HOH 246 -16.257 -17.394 13.149 1.00 31.06 O HETATM 2147 O HOH 247 -15.419 6.584 4.371 1.00 47.04 O HETATM 2148 O HOH 248 -7.488 4.531 27.806 1.00 46.30 O HETATM 2149 O HOH 249 -5.012 -9.673 32.305 1.00 35.25 O HETATM 2150 O HOH 250 -0.218 -19.219 2.209 1.00 38.96 O HETATM 2151 O HOH 251 1.804 -9.454 24.825 1.00 38.23 O HETATM 2152 O HOH 252 -21.526 -4.634 19.365 1.00 47.19 O HETATM 2153 O HOH 253 -4.681 -6.233 30.940 1.00 18.21 O HETATM 2154 O HOH 254 -0.933 -9.323 -12.376 1.00 28.99 O HETATM 2155 O HOH 255 6.311 -19.475 15.445 1.00 34.00 O HETATM 2156 O HOH 256 -7.334 -3.276 32.856 1.00 31.06 O HETATM 2157 O HOH 257 2.261 -4.053 -7.325 1.00 19.20 O HETATM 2158 O HOH 258 -0.264 -7.040 -11.904 1.00 33.34 O HETATM 2159 O HOH 259 5.961 -17.820 17.800 1.00 43.17 O HETATM 2160 O HOH 260 -26.011 -4.122 1.431 1.00 32.17 O HETATM 2161 O HOH 261 -16.777 -15.061 16.416 1.00 37.37 O HETATM 2162 O HOH 262 0.626 -19.283 20.507 1.00 41.64 O HETATM 2163 O HOH 263 10.717 -2.334 12.580 1.00 39.13 O HETATM 2164 O HOH 264 -4.261 -14.586 32.895 1.00 41.02 O HETATM 2165 O HOH 265 -26.169 -1.218 11.595 1.00 28.60 O HETATM 2166 O HOH 266 -9.048 5.917 -12.743 1.00 43.87 O HETATM 2167 O HOH 267 3.969 -5.063 24.350 1.00 36.25 O HETATM 2168 O HOH 268 0.982 -17.128 -1.086 1.00 32.86 O HETATM 2169 O HOH 269 -5.326 -16.645 -11.974 1.00 40.42 O HETATM 2170 O HOH 270 -7.314 -27.616 6.093 1.00 30.37 O HETATM 2171 O HOH 271 -17.632 6.339 5.390 1.00 39.50 O HETATM 2172 O HOH 272 -6.727 -27.768 3.836 1.00 34.23 O HETATM 2173 N1 SF A 5 -5.424 -3.710 11.740 1.00 -0.16 N HETATM 2174 O2 SF A 5 -4.424 -4.648 11.559 1.00 -0.27 O HETATM 2175 H2 SF A 5 -4.794 -5.434 11.175 1.00 0.25 H HETATM 2176 C3 SF A 5 -5.161 -2.518 12.265 1.00 0.20 C HETATM 2177 O4 SF A 5 -4.042 -2.184 12.632 1.00 -0.40 O HETATM 2178 C5 SF A 5 -6.343 -1.580 12.398 1.00 0.06 C HETATM 2179 C6 SF A 5 -6.417 -0.616 11.220 1.00 0.07 C HETATM 2180 C7 SF A 5 -6.943 -1.335 9.975 1.00 -0.03 C HETATM 2181 C8 SF A 5 -6.539 -0.633 8.685 1.00 -0.05 C HETATM 2182 C9 SF A 5 -7.215 -1.316 7.495 1.00 -0.06 C HETATM 2183 C10 SF A 5 -7.223 -0.417 6.280 1.00 -0.07 C HETATM 2184 H12 SF A 5 -7.715 -0.935 5.444 1.00 0.02 H HETATM 2185 H13 SF A 5 -6.188 -0.169 6.000 1.00 0.02 H HETATM 2186 H14 SF A 5 -7.772 0.508 6.512 1.00 0.02 H HETATM 2187 H10 SF A 5 -8.252 -1.563 7.765 1.00 0.03 H HETATM 2188 H11 SF A 5 -6.669 -2.240 7.254 1.00 0.03 H HETATM 2189 H8 SF A 5 -5.447 -0.687 8.566 1.00 0.03 H HETATM 2190 H9 SF A 5 -6.852 0.421 8.728 1.00 0.03 H HETATM 2191 H6 SF A 5 -8.041 -1.374 10.027 1.00 0.03 H HETATM 2192 H7 SF A 5 -6.540 -2.358 9.961 1.00 0.03 H HETATM 2193 C12 SF A 5 -7.194 0.555 11.437 1.00 0.22 C HETATM 2194 O13 SF A 5 -8.490 0.264 11.446 1.00 -0.13 O HETATM 2195 N15 SF A 5 -9.157 1.401 11.247 1.00 -0.13 N HETATM 2196 C16 SF A 5 -8.268 2.368 11.096 1.00 0.07 C HETATM 2197 N14 SF A 5 -7.041 1.845 11.203 1.00 -0.28 N HETATM 2198 H15 SF A 5 -8.497 3.417 10.915 1.00 0.08 H HETATM 2199 H5 SF A 5 -5.388 -0.287 11.014 1.00 0.06 H HETATM 2200 H3 SF A 5 -6.240 -1.002 13.328 1.00 0.05 H HETATM 2201 H4 SF A 5 -7.269 -2.173 12.435 1.00 0.05 H HETATM 2202 H1 SF A 5 -6.361 -3.933 11.471 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 85 83 84 1906 CONECT 140 139 1906 CONECT 141 139 1906 CONECT 281 279 1909 CONECT 386 385 1907 CONECT 420 418 1907 CONECT 508 506 507 1902 CONECT 1080 1078 1079 1903 CONECT 1178 1179 1186 1187 1188 CONECT 1186 1178 CONECT 1187 1178 CONECT 1188 1178 CONECT 1313 1311 1312 1905 CONECT 1372 1370 1908 CONECT 1615 1613 1614 1901 CONECT 1654 1652 1653 1901 CONECT 1776 1775 1904 CONECT 1777 1775 1904 CONECT 1901 1615 1654 CONECT 1902 508 CONECT 1903 1080 CONECT 1904 1776 1777 CONECT 1905 1313 CONECT 1906 85 140 141 CONECT 1907 386 420 CONECT 1908 1372 CONECT 1909 281 CONECT 2173 2174 2176 2202 CONECT 2174 2173 2175 CONECT 2175 2174 CONECT 2176 2173 2177 2178 CONECT 2177 2176 CONECT 2178 2176 2179 2200 2201 CONECT 2179 2178 2180 2193 2199 CONECT 2180 2179 2181 2191 2192 CONECT 2181 2180 2182 2189 2190 CONECT 2182 2181 2183 2187 2188 CONECT 2183 2182 2184 2185 2186 CONECT 2184 2183 CONECT 2185 2183 CONECT 2186 2183 CONECT 2187 2182 CONECT 2188 2182 CONECT 2189 2181 CONECT 2190 2181 CONECT 2191 2180 CONECT 2192 2180 CONECT 2193 2179 2194 2197 CONECT 2194 2193 2195 CONECT 2195 2194 2196 CONECT 2196 2195 2197 2198 CONECT 2197 2193 2196 CONECT 2198 2196 CONECT 2199 2179 CONECT 2200 2178 CONECT 2201 2178 CONECT 2202 2173 MASTER 0 0 0 0 0 0 0 0 2200 2 61 16 END
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Related entries of code: 5jf3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5jf1
RCSB PDB
PDBbind
204aa, >5JF1_1|Chain... *
5jf2
RCSB PDB
PDBbind
204aa, >5JF2_1|Chain... at 100%
5jf4
RCSB PDB
PDBbind
204aa, >5JF4_1|Chain... at 100%
5jf5
RCSB PDB
PDBbind
204aa, >5JF5_1|Chain... at 100%
5jf6
RCSB PDB
PDBbind
204aa, >5JF6_1|Chain... at 100%
5jf7
RCSB PDB
PDBbind
204aa, >5JF7_1|Chain... at 100%
5jf8
RCSB PDB
PDBbind
204aa, >5JF8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5jf3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
type 2 PDF from Streptococcus agalactiae
Ligand Name
SF5
EC.Number
E.C.3.5.1.88
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=38nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula
C
9
H
1
5
N
3
O
3
Molecular Weight
213.234
Exact Mass
213.111
No. of atoms
30
No. of bonds
30
Polar Surface Area
88.25
LOGP Value
0.96 (
Computed with XLOGP3
)
1.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
Canonical SMILES
CCCC[C@@H](c1ncno1)CC(=O)NO
InChI String
InChI=1S/C9H15N3O3/c1-2-3-4-7(5-8(13)12-14)9-10-6-11-15-9/h6-7,14H,2-5H2,1H3,(H,12,13)/t7-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8E378
Entrez Gene ID
NCBI Entrez Gene ID:
61439046
ASD
Information of known allosteric effects of PDB entries
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