Browse entries in the PDBbind-CN Database
HEADER 5ML3_COMPLEX COMPND 5ML3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 149 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 149 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR SEQRES 3 B 149 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 149 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 149 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 149 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 149 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 149 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 149 GLN SER LEU ILE GLU ALA ALA PRO GLU SER GLN MET MET SEQRES 10 B 149 PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE GLU THR SEQRES 11 B 149 LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SER ARG SEQRES 12 B 149 VAL ARG LEU PHE TYR VAL HET DL A 3 83 ATOM 1 N SER B 2 -3.058 2.733 -16.205 1.00 27.75 N ATOM 2 CA SER B 2 -3.451 2.547 -17.620 1.00 27.44 C ATOM 3 C SER B 2 -4.125 3.809 -18.145 1.00 25.58 C ATOM 4 O SER B 2 -4.548 4.666 -17.353 1.00 25.69 O ATOM 5 CB SER B 2 -4.417 1.365 -17.758 1.00 28.34 C ATOM 6 OG SER B 2 -5.713 1.708 -17.280 1.00 29.18 O ATOM 7 HG SER B 2 -5.655 1.962 -16.325 1.00 0.00 H ATOM 8 HN3 SER B 2 -3.905 2.932 -15.635 1.00 0.00 H ATOM 9 HN2 SER B 2 -2.395 3.531 -16.133 1.00 0.00 H ATOM 10 HN1 SER B 2 -2.599 1.867 -15.857 1.00 0.00 H ATOM 11 N ALA B 3 -4.206 3.909 -19.466 1.00 24.66 N ATOM 12 CA ALA B 3 -4.914 4.992 -20.136 1.00 25.01 C ATOM 13 C ALA B 3 -6.376 5.016 -19.705 1.00 24.36 C ATOM 14 O ALA B 3 -6.936 6.089 -19.497 1.00 22.35 O ATOM 15 CB ALA B 3 -4.807 4.854 -21.644 1.00 26.56 C ATOM 16 H ALA B 3 -3.744 3.182 -20.049 1.00 0.00 H ATOM 17 N LYS B 4 -6.993 3.848 -19.565 1.00 24.02 N ATOM 18 CA LYS B 4 -8.377 3.779 -19.080 1.00 24.93 C ATOM 19 C LYS B 4 -8.556 4.308 -17.651 1.00 24.38 C ATOM 20 O LYS B 4 -9.507 5.047 -17.374 1.00 21.70 O ATOM 21 CB LYS B 4 -8.907 2.348 -19.196 1.00 26.99 C ATOM 22 CG LYS B 4 -9.185 1.962 -20.637 1.00 29.67 C ATOM 23 CD LYS B 4 -9.704 0.542 -20.779 1.00 32.48 C ATOM 24 CE LYS B 4 -10.274 0.342 -22.174 1.00 34.72 C ATOM 25 NZ LYS B 4 -10.880 -1.002 -22.358 1.00 36.75 N ATOM 26 HZ1 LYS B 4 -10.156 -1.732 -22.201 1.00 0.00 H ATOM 27 HZ2 LYS B 4 -11.654 -1.128 -21.675 1.00 0.00 H ATOM 28 HZ3 LYS B 4 -11.252 -1.084 -23.326 1.00 0.00 H ATOM 29 H LYS B 4 -6.489 2.970 -19.802 1.00 0.00 H ATOM 30 N ASP B 5 -7.654 3.958 -16.751 1.00 23.25 N ATOM 31 CA ASP B 5 -7.680 4.493 -15.386 1.00 24.00 C ATOM 32 C ASP B 5 -7.601 6.034 -15.399 1.00 21.38 C ATOM 33 O ASP B 5 -8.306 6.728 -14.662 1.00 20.66 O ATOM 34 CB ASP B 5 -6.505 3.959 -14.553 1.00 27.65 C ATOM 35 CG ASP B 5 -6.545 2.442 -14.358 1.00 30.79 C ATOM 36 OD1 ASP B 5 -7.647 1.860 -14.276 1.00 33.34 O ATOM 37 OD2 ASP B 5 -5.450 1.834 -14.267 1.00 36.75 O ATOM 38 H ASP B 5 -6.907 3.286 -17.018 1.00 0.00 H ATOM 39 N GLU B 6 -6.706 6.556 -16.218 1.00 19.27 N ATOM 40 CA GLU B 6 -6.543 7.987 -16.337 1.00 18.83 C ATOM 41 C GLU B 6 -7.799 8.620 -16.938 1.00 16.13 C ATOM 42 O GLU B 6 -8.245 9.665 -16.470 1.00 14.44 O ATOM 43 CB GLU B 6 -5.317 8.305 -17.197 1.00 19.83 C ATOM 44 CG GLU B 6 -4.990 9.781 -17.340 1.00 22.53 C ATOM 45 CD GLU B 6 -4.524 10.434 -16.046 1.00 26.02 C ATOM 46 OE1 GLU B 6 -4.149 9.733 -15.098 1.00 30.55 O ATOM 47 OE2 GLU B 6 -4.533 11.680 -15.987 1.00 34.30 O ATOM 48 H GLU B 6 -6.107 5.925 -16.788 1.00 0.00 H ATOM 49 N ARG B 7 -8.385 8.002 -17.952 1.00 15.64 N ATOM 50 CA ARG B 7 -9.577 8.586 -18.576 1.00 15.06 C ATOM 51 C ARG B 7 -10.730 8.579 -17.583 1.00 14.91 C ATOM 52 O ARG B 7 -11.462 9.544 -17.535 1.00 13.91 O ATOM 53 CB ARG B 7 -9.973 7.893 -19.904 1.00 15.76 C ATOM 54 CG ARG B 7 -11.134 8.582 -20.631 1.00 16.48 C ATOM 55 CD ARG B 7 -11.369 8.040 -22.041 1.00 17.65 C ATOM 56 NE ARG B 7 -12.201 6.840 -22.023 1.00 19.89 N ATOM 57 CZ ARG B 7 -13.528 6.839 -22.166 1.00 19.11 C ATOM 58 NH1 ARG B 7 -14.216 7.962 -22.385 1.00 18.89 N ATOM 59 NH2 ARG B 7 -14.172 5.696 -22.128 1.00 22.01 N ATOM 60 HE ARG B 7 -11.727 5.924 -21.890 1.00 0.00 H ATOM 61 HH12 ARG B 7 -15.250 7.926 -22.492 1.00 0.00 H ATOM 62 HH11 ARG B 7 -13.718 8.873 -22.449 1.00 0.00 H ATOM 63 HH22 ARG B 7 -15.206 5.678 -22.238 1.00 0.00 H ATOM 64 HH21 ARG B 7 -13.648 4.808 -21.988 1.00 0.00 H ATOM 65 H ARG B 7 -8.000 7.103 -18.306 1.00 0.00 H ATOM 66 N ALA B 8 -10.874 7.514 -16.801 1.00 15.02 N ATOM 67 CA ALA B 8 -11.914 7.469 -15.773 1.00 14.88 C ATOM 68 C ALA B 8 -11.774 8.647 -14.831 1.00 14.36 C ATOM 69 O ALA B 8 -12.783 9.281 -14.491 1.00 13.82 O ATOM 70 CB ALA B 8 -11.861 6.176 -14.987 1.00 15.71 C ATOM 71 H ALA B 8 -10.238 6.700 -16.922 1.00 0.00 H ATOM 72 N ARG B 9 -10.553 8.927 -14.387 1.00 13.73 N ATOM 73 CA ARG B 9 -10.361 10.059 -13.487 1.00 13.88 C ATOM 74 C ARG B 9 -10.612 11.393 -14.165 1.00 13.59 C ATOM 75 O ARG B 9 -11.081 12.336 -13.529 1.00 12.58 O ATOM 76 CB ARG B 9 -8.987 10.043 -12.857 1.00 15.09 C ATOM 77 CG ARG B 9 -8.879 8.987 -11.777 1.00 16.70 C ATOM 78 CD ARG B 9 -7.545 9.034 -11.081 1.00 18.26 C ATOM 79 NE ARG B 9 -7.349 7.843 -10.282 1.00 20.84 N ATOM 80 CZ ARG B 9 -6.248 7.600 -9.589 1.00 21.76 C ATOM 81 NH1 ARG B 9 -5.249 8.465 -9.631 1.00 22.92 N ATOM 82 NH2 ARG B 9 -6.152 6.497 -8.862 1.00 23.18 N ATOM 83 HE ARG B 9 -8.115 7.140 -10.251 1.00 0.00 H ATOM 84 HH12 ARG B 9 -4.380 8.282 -9.090 1.00 0.00 H ATOM 85 HH11 ARG B 9 -5.332 9.328 -10.205 1.00 0.00 H ATOM 86 HH22 ARG B 9 -5.287 6.307 -8.318 1.00 0.00 H ATOM 87 HH21 ARG B 9 -6.942 5.821 -8.836 1.00 0.00 H ATOM 88 H ARG B 9 -9.742 8.345 -14.678 1.00 0.00 H ATOM 89 N GLU B 10 -10.316 11.499 -15.463 1.00 12.37 N ATOM 90 CA GLU B 10 -10.623 12.717 -16.204 1.00 12.08 C ATOM 91 C GLU B 10 -12.130 12.961 -16.301 1.00 11.74 C ATOM 92 O GLU B 10 -12.615 14.078 -16.127 1.00 11.26 O ATOM 93 CB GLU B 10 -10.054 12.627 -17.616 1.00 13.23 C ATOM 94 H GLU B 10 -9.860 10.702 -15.952 1.00 0.00 H ATOM 95 N ILE B 11 -12.879 11.902 -16.598 1.00 11.67 N ATOM 96 CA ILE B 11 -14.320 12.020 -16.661 1.00 11.66 C ATOM 97 C ILE B 11 -14.886 12.470 -15.297 1.00 11.77 C ATOM 98 O ILE B 11 -15.697 13.384 -15.215 1.00 11.78 O ATOM 99 CB ILE B 11 -14.994 10.715 -17.092 1.00 12.34 C ATOM 100 CG1 ILE B 11 -14.553 10.342 -18.520 1.00 13.19 C ATOM 101 CG2 ILE B 11 -16.512 10.858 -16.977 1.00 13.21 C ATOM 102 CD1 ILE B 11 -14.910 8.923 -18.933 1.00 13.50 C ATOM 103 H ILE B 11 -12.426 10.985 -16.786 1.00 0.00 H ATOM 104 N LEU B 12 -14.447 11.814 -14.229 1.00 11.29 N ATOM 105 CA LEU B 12 -14.935 12.217 -12.905 1.00 11.62 C ATOM 106 C LEU B 12 -14.592 13.679 -12.605 1.00 11.38 C ATOM 107 O LEU B 12 -15.470 14.433 -12.159 1.00 12.35 O ATOM 108 CB LEU B 12 -14.336 11.307 -11.845 1.00 12.36 C ATOM 109 CG LEU B 12 -14.752 11.675 -10.411 1.00 13.41 C ATOM 110 CD1 LEU B 12 -16.260 11.665 -10.242 1.00 14.31 C ATOM 111 CD2 LEU B 12 -14.066 10.717 -9.457 1.00 14.19 C ATOM 112 H LEU B 12 -13.771 11.030 -14.329 1.00 0.00 H ATOM 113 N ARG B 13 -13.370 14.101 -12.921 1.00 11.37 N ATOM 114 CA ARG B 13 -12.967 15.467 -12.689 1.00 11.72 C ATOM 115 C ARG B 13 -13.892 16.462 -13.377 1.00 12.21 C ATOM 116 O ARG B 13 -14.196 17.537 -12.847 1.00 12.67 O ATOM 117 CB ARG B 13 -11.531 15.701 -13.149 1.00 11.69 C ATOM 118 CG ARG B 13 -11.076 17.146 -13.052 1.00 12.21 C ATOM 119 CD ARG B 13 -9.614 17.300 -13.423 1.00 12.07 C ATOM 120 NE ARG B 13 -9.286 18.713 -13.413 1.00 12.63 N ATOM 121 CZ ARG B 13 -9.116 19.440 -12.315 1.00 13.23 C ATOM 122 NH1 ARG B 13 -9.062 18.874 -11.126 1.00 12.94 N ATOM 123 NH2 ARG B 13 -8.951 20.739 -12.421 1.00 14.68 N ATOM 124 HE ARG B 13 -9.176 19.190 -14.330 1.00 0.00 H ATOM 125 HH12 ARG B 13 -8.928 19.460 -10.277 1.00 0.00 H ATOM 126 HH11 ARG B 13 -9.153 17.842 -11.037 1.00 0.00 H ATOM 127 HH22 ARG B 13 -8.817 21.318 -11.567 1.00 0.00 H ATOM 128 HH21 ARG B 13 -8.954 21.189 -13.359 1.00 0.00 H ATOM 129 H ARG B 13 -12.693 13.434 -13.343 1.00 0.00 H ATOM 130 N GLY B 14 -14.383 16.122 -14.563 1.00 11.88 N ATOM 131 CA GLY B 14 -15.242 17.033 -15.297 1.00 12.07 C ATOM 132 C GLY B 14 -16.723 16.875 -15.102 1.00 12.93 C ATOM 133 O GLY B 14 -17.497 17.532 -15.774 1.00 13.22 O ATOM 134 H GLY B 14 -14.150 15.194 -14.970 1.00 0.00 H ATOM 135 N PHE B 15 -17.133 15.995 -14.203 1.00 12.76 N ATOM 136 CA PHE B 15 -18.540 15.653 -14.004 1.00 13.15 C ATOM 137 C PHE B 15 -19.137 16.383 -12.806 1.00 13.61 C ATOM 138 O PHE B 15 -18.483 16.519 -11.776 1.00 14.20 O ATOM 139 CB PHE B 15 -18.667 14.139 -13.787 1.00 14.07 C ATOM 140 CG PHE B 15 -20.075 13.675 -13.588 1.00 15.06 C ATOM 141 CD1 PHE B 15 -20.896 13.416 -14.676 1.00 16.64 C ATOM 142 CD2 PHE B 15 -20.588 13.529 -12.298 1.00 16.84 C ATOM 143 CE1 PHE B 15 -22.210 12.999 -14.471 1.00 18.07 C ATOM 144 CE2 PHE B 15 -21.878 13.108 -12.102 1.00 18.28 C ATOM 145 CZ PHE B 15 -22.672 12.835 -13.181 1.00 18.23 C ATOM 146 H PHE B 15 -16.420 15.524 -13.610 1.00 0.00 H ATOM 147 N LYS B 16 -20.374 16.835 -12.938 1.00 13.45 N ATOM 148 CA LYS B 16 -21.131 17.330 -11.792 1.00 15.29 C ATOM 149 C LYS B 16 -22.581 16.969 -11.980 1.00 14.95 C ATOM 150 O LYS B 16 -23.162 17.187 -13.039 1.00 14.63 O ATOM 151 CB LYS B 16 -20.972 18.845 -11.619 1.00 18.12 C ATOM 152 CG LYS B 16 -21.515 19.340 -10.276 1.00 20.46 C ATOM 153 CD LYS B 16 -21.124 20.762 -9.939 1.00 22.88 C ATOM 154 CE LYS B 16 -21.614 21.134 -8.544 1.00 24.38 C ATOM 155 NZ LYS B 16 -21.680 22.611 -8.377 1.00 26.43 N ATOM 156 HZ1 LYS B 16 -20.733 23.017 -8.517 1.00 0.00 H ATOM 157 HZ2 LYS B 16 -22.337 23.009 -9.078 1.00 0.00 H ATOM 158 HZ3 LYS B 16 -22.016 22.836 -7.419 1.00 0.00 H ATOM 159 H LYS B 16 -20.817 16.838 -13.879 1.00 0.00 H ATOM 160 N LEU B 17 -23.211 16.456 -10.928 1.00 14.71 N ATOM 161 CA LEU B 17 -24.644 16.338 -10.875 1.00 16.17 C ATOM 162 C LEU B 17 -25.183 17.632 -10.281 1.00 15.86 C ATOM 163 O LEU B 17 -24.837 17.986 -9.152 1.00 17.31 O ATOM 164 CB LEU B 17 -25.011 15.130 -10.006 1.00 18.13 C ATOM 165 CG LEU B 17 -26.444 14.631 -9.966 1.00 20.62 C ATOM 166 CD1 LEU B 17 -26.442 13.201 -9.419 1.00 21.02 C ATOM 167 CD2 LEU B 17 -27.326 15.533 -9.114 1.00 21.96 C ATOM 168 H LEU B 17 -22.649 16.129 -10.116 1.00 0.00 H ATOM 169 N ASN B 18 -26.005 18.340 -11.046 1.00 16.01 N ATOM 170 CA ASN B 18 -26.487 19.682 -10.684 1.00 16.78 C ATOM 171 C ASN B 18 -27.760 19.663 -9.862 1.00 16.86 C ATOM 172 O ASN B 18 -27.871 20.403 -8.868 1.00 18.78 O ATOM 173 CB ASN B 18 -26.722 20.503 -11.951 1.00 17.14 C ATOM 174 CG ASN B 18 -25.473 20.638 -12.784 1.00 16.33 C ATOM 175 OD1 ASN B 18 -24.440 21.074 -12.295 1.00 18.10 O ATOM 176 ND2 ASN B 18 -25.568 20.275 -14.051 1.00 18.02 N ATOM 177 HD22 ASN B 18 -26.469 19.910 -14.421 1.00 0.00 H ATOM 178 HD21 ASN B 18 -24.742 20.355 -14.678 1.00 0.00 H ATOM 179 H ASN B 18 -26.324 17.926 -11.945 1.00 0.00 H ATOM 180 N TRP B 19 -28.719 18.870 -10.281 1.00 15.74 N ATOM 181 CA TRP B 19 -29.971 18.713 -9.560 1.00 15.95 C ATOM 182 C TRP B 19 -30.642 17.420 -9.929 1.00 15.91 C ATOM 183 O TRP B 19 -30.310 16.767 -10.927 1.00 15.22 O ATOM 184 CB TRP B 19 -30.923 19.906 -9.793 1.00 17.36 C ATOM 185 CG TRP B 19 -31.285 20.241 -11.223 1.00 17.67 C ATOM 186 CD1 TRP B 19 -30.706 21.206 -11.992 1.00 19.55 C ATOM 187 CD2 TRP B 19 -32.305 19.644 -12.033 1.00 17.47 C ATOM 188 NE1 TRP B 19 -31.293 21.245 -13.225 1.00 19.26 N ATOM 189 CE2 TRP B 19 -32.276 20.299 -13.289 1.00 18.86 C ATOM 190 CE3 TRP B 19 -33.226 18.607 -11.834 1.00 18.49 C ATOM 191 CZ2 TRP B 19 -33.143 19.957 -14.326 1.00 19.41 C ATOM 192 CZ3 TRP B 19 -34.080 18.265 -12.857 1.00 19.14 C ATOM 193 CH2 TRP B 19 -34.032 18.943 -14.100 1.00 19.92 C ATOM 194 HE1 TRP B 19 -31.032 21.894 -13.995 1.00 0.00 H ATOM 195 H TRP B 19 -28.577 18.335 -11.161 1.00 0.00 H ATOM 196 N MET B 20 -31.592 17.026 -9.089 1.00 15.71 N ATOM 197 CA MET B 20 -32.296 15.805 -9.290 1.00 16.76 C ATOM 198 C MET B 20 -33.660 15.884 -8.632 1.00 15.64 C ATOM 199 O MET B 20 -33.829 16.590 -7.636 1.00 17.24 O ATOM 200 CB MET B 20 -31.480 14.659 -8.698 1.00 18.31 C ATOM 201 CG MET B 20 -32.073 13.274 -8.822 1.00 19.76 C ATOM 202 SD MET B 20 -30.835 11.975 -8.579 1.00 23.30 S ATOM 203 CE MET B 20 -30.051 12.511 -7.065 1.00 22.24 C ATOM 204 H MET B 20 -31.826 17.621 -8.269 1.00 0.00 H ATOM 205 N ASN B 21 -34.616 15.192 -9.205 1.00 16.60 N ATOM 206 CA ASN B 21 -35.897 15.007 -8.556 1.00 18.61 C ATOM 207 C ASN B 21 -36.499 13.642 -8.808 1.00 18.03 C ATOM 208 O ASN B 21 -36.109 12.901 -9.718 1.00 17.66 O ATOM 209 CB ASN B 21 -36.884 16.121 -8.931 1.00 19.96 C ATOM 210 CG ASN B 21 -37.193 16.166 -10.407 1.00 21.27 C ATOM 211 OD1 ASN B 21 -37.654 15.186 -10.970 1.00 23.51 O ATOM 212 ND2 ASN B 21 -36.943 17.319 -11.044 1.00 22.91 N ATOM 213 HD22 ASN B 21 -36.550 18.127 -10.521 1.00 0.00 H ATOM 214 HD21 ASN B 21 -37.142 17.405 -12.061 1.00 0.00 H ATOM 215 H ASN B 21 -34.451 14.769 -10.141 1.00 0.00 H ATOM 216 N LEU B 22 -37.465 13.297 -7.954 1.00 17.12 N ATOM 217 CA LEU B 22 -38.224 12.084 -8.052 1.00 17.28 C ATOM 218 C LEU B 22 -39.706 12.428 -8.065 1.00 17.85 C ATOM 219 O LEU B 22 -40.120 13.312 -7.316 1.00 18.86 O ATOM 220 CB LEU B 22 -37.983 11.195 -6.826 1.00 16.96 C ATOM 221 CG LEU B 22 -36.560 10.713 -6.567 1.00 17.04 C ATOM 222 CD1 LEU B 22 -36.538 9.903 -5.281 1.00 16.89 C ATOM 223 CD2 LEU B 22 -36.028 9.914 -7.729 1.00 17.63 C ATOM 224 H LEU B 22 -37.680 13.947 -7.171 1.00 0.00 H ATOM 225 N ARG B 23 -40.449 11.698 -8.895 1.00 18.52 N ATOM 226 CA ARG B 23 -41.907 11.847 -9.024 1.00 21.02 C ATOM 227 C ARG B 23 -42.593 10.516 -8.992 1.00 20.62 C ATOM 228 O ARG B 23 -42.066 9.518 -9.429 1.00 20.67 O ATOM 229 CB ARG B 23 -42.262 12.450 -10.389 1.00 24.34 C ATOM 230 CG ARG B 23 -41.872 13.886 -10.575 1.00 28.19 C ATOM 231 CD ARG B 23 -42.103 14.263 -12.035 1.00 31.89 C ATOM 232 NE ARG B 23 -41.869 15.684 -12.271 1.00 37.35 N ATOM 233 CZ ARG B 23 -40.693 16.228 -12.585 1.00 40.74 C ATOM 234 NH1 ARG B 23 -39.608 15.480 -12.727 1.00 42.24 N ATOM 235 NH2 ARG B 23 -40.605 17.541 -12.771 1.00 44.22 N ATOM 236 HE ARG B 23 -42.685 16.324 -12.188 1.00 0.00 H ATOM 237 HH12 ARG B 23 -38.700 15.923 -12.972 1.00 0.00 H ATOM 238 HH11 ARG B 23 -39.665 14.450 -12.593 1.00 0.00 H ATOM 239 HH22 ARG B 23 -39.690 17.971 -13.016 1.00 0.00 H ATOM 240 HH21 ARG B 23 -41.451 18.138 -12.671 1.00 0.00 H ATOM 241 H ARG B 23 -39.973 10.985 -9.483 1.00 0.00 H ATOM 242 N ASP B 24 -43.837 10.520 -8.515 1.00 22.26 N ATOM 243 CA ASP B 24 -44.726 9.393 -8.705 1.00 24.25 C ATOM 244 C ASP B 24 -45.013 9.315 -10.208 1.00 25.19 C ATOM 245 O ASP B 24 -45.492 10.288 -10.789 1.00 26.62 O ATOM 246 CB ASP B 24 -46.005 9.649 -7.903 1.00 25.98 C ATOM 247 CG ASP B 24 -46.988 8.497 -7.953 1.00 28.87 C ATOM 248 OD1 ASP B 24 -47.059 7.768 -8.965 1.00 30.76 O ATOM 249 OD2 ASP B 24 -47.714 8.333 -6.947 1.00 32.00 O ATOM 250 H ASP B 24 -44.178 11.353 -7.994 1.00 0.00 H ATOM 251 N ALA B 25 -44.686 8.188 -10.840 1.00 26.63 N ATOM 252 CA ALA B 25 -44.779 8.083 -12.300 1.00 28.03 C ATOM 253 C ALA B 25 -46.238 8.109 -12.767 1.00 30.89 C ATOM 254 O ALA B 25 -46.527 8.625 -13.845 1.00 34.67 O ATOM 255 CB ALA B 25 -44.075 6.832 -12.812 1.00 28.39 C ATOM 256 H ALA B 25 -44.359 7.369 -10.288 1.00 0.00 H ATOM 257 N GLU B 26 -47.144 7.562 -11.954 1.00 31.82 N ATOM 258 CA GLU B 26 -48.572 7.518 -12.309 1.00 32.51 C ATOM 259 C GLU B 26 -49.202 8.907 -12.255 1.00 32.10 C ATOM 260 O GLU B 26 -49.881 9.326 -13.195 1.00 33.83 O ATOM 261 CB GLU B 26 -49.314 6.566 -11.382 1.00 33.02 C ATOM 262 H GLU B 26 -46.834 7.157 -11.048 1.00 0.00 H ATOM 263 N THR B 27 -48.952 9.628 -11.168 1.00 30.73 N ATOM 264 CA THR B 27 -49.621 10.892 -10.883 1.00 30.98 C ATOM 265 C THR B 27 -48.814 12.147 -11.209 1.00 30.38 C ATOM 266 O THR B 27 -49.377 13.254 -11.268 1.00 29.74 O ATOM 267 CB THR B 27 -50.009 10.973 -9.401 1.00 32.80 C ATOM 268 OG1 THR B 27 -48.836 11.190 -8.601 1.00 31.14 O ATOM 269 CG2 THR B 27 -50.704 9.684 -8.968 1.00 32.57 C ATOM 270 HG1 THR B 27 -49.094 11.241 -7.647 1.00 0.00 H ATOM 271 H THR B 27 -48.247 9.275 -10.489 1.00 0.00 H ATOM 272 N GLY B 28 -47.501 12.000 -11.371 1.00 28.14 N ATOM 273 CA GLY B 28 -46.638 13.142 -11.678 1.00 26.50 C ATOM 274 C GLY B 28 -46.233 13.982 -10.481 1.00 25.65 C ATOM 275 O GLY B 28 -45.488 14.959 -10.611 1.00 26.08 O ATOM 276 H GLY B 28 -47.079 11.054 -11.278 1.00 0.00 H ATOM 277 N LYS B 29 -46.696 13.600 -9.294 1.00 25.83 N ATOM 278 CA LYS B 29 -46.449 14.402 -8.118 1.00 28.13 C ATOM 279 C LYS B 29 -44.988 14.251 -7.681 1.00 25.50 C ATOM 280 O LYS B 29 -44.474 13.140 -7.575 1.00 25.93 O ATOM 281 CB LYS B 29 -47.385 13.992 -6.984 1.00 32.01 C ATOM 282 CG LYS B 29 -47.173 14.779 -5.702 1.00 36.79 C ATOM 283 CD LYS B 29 -48.480 14.959 -4.942 1.00 41.09 C ATOM 284 CE LYS B 29 -48.275 15.710 -3.635 1.00 43.90 C ATOM 285 NZ LYS B 29 -49.577 16.188 -3.087 1.00 46.44 N ATOM 286 HZ1 LYS B 29 -50.027 16.827 -3.773 1.00 0.00 H ATOM 287 HZ2 LYS B 29 -50.198 15.373 -2.911 1.00 0.00 H ATOM 288 HZ3 LYS B 29 -49.411 16.697 -2.196 1.00 0.00 H ATOM 289 H LYS B 29 -47.240 12.717 -9.212 1.00 0.00 H ATOM 290 N ILE B 30 -44.354 15.385 -7.445 1.00 24.35 N ATOM 291 CA ILE B 30 -42.972 15.442 -6.996 1.00 26.08 C ATOM 292 C ILE B 30 -42.856 14.942 -5.565 1.00 24.63 C ATOM 293 O ILE B 30 -43.525 15.443 -4.660 1.00 26.43 O ATOM 294 CB ILE B 30 -42.414 16.869 -7.105 1.00 27.89 C ATOM 295 CG1 ILE B 30 -42.288 17.238 -8.596 1.00 29.58 C ATOM 296 CG2 ILE B 30 -41.072 16.992 -6.385 1.00 28.71 C ATOM 297 CD1 ILE B 30 -42.004 18.697 -8.869 1.00 30.79 C ATOM 298 H ILE B 30 -44.867 16.279 -7.587 1.00 0.00 H ATOM 299 N LEU B 31 -41.976 13.965 -5.376 1.00 22.02 N ATOM 300 CA LEU B 31 -41.735 13.336 -4.075 1.00 21.77 C ATOM 301 C LEU B 31 -40.492 13.855 -3.386 1.00 22.45 C ATOM 302 O LEU B 31 -40.423 13.863 -2.158 1.00 22.81 O ATOM 303 CB LEU B 31 -41.588 11.837 -4.275 1.00 23.25 C ATOM 304 CG LEU B 31 -42.836 11.162 -4.845 1.00 24.74 C ATOM 305 CD1 LEU B 31 -42.479 9.792 -5.394 1.00 25.91 C ATOM 306 CD2 LEU B 31 -43.947 11.090 -3.804 1.00 27.48 C ATOM 307 H LEU B 31 -41.429 13.629 -6.195 1.00 0.00 H ATOM 308 N TRP B 32 -39.483 14.242 -4.161 1.00 21.19 N ATOM 309 CA TRP B 32 -38.196 14.617 -3.625 1.00 20.08 C ATOM 310 C TRP B 32 -37.478 15.469 -4.647 1.00 19.06 C ATOM 311 O TRP B 32 -37.582 15.207 -5.838 1.00 18.84 O ATOM 312 CB TRP B 32 -37.356 13.363 -3.310 1.00 19.97 C ATOM 313 CG TRP B 32 -36.022 13.665 -2.685 1.00 20.04 C ATOM 314 CD1 TRP B 32 -35.752 13.758 -1.350 1.00 18.94 C ATOM 315 CD2 TRP B 32 -34.784 13.922 -3.356 1.00 19.19 C ATOM 316 NE1 TRP B 32 -34.434 14.070 -1.150 1.00 18.85 N ATOM 317 CE2 TRP B 32 -33.807 14.160 -2.366 1.00 18.95 C ATOM 318 CE3 TRP B 32 -34.397 13.959 -4.703 1.00 19.99 C ATOM 319 CZ2 TRP B 32 -32.484 14.453 -2.672 1.00 19.54 C ATOM 320 CZ3 TRP B 32 -33.075 14.253 -5.000 1.00 20.87 C ATOM 321 CH2 TRP B 32 -32.139 14.508 -3.994 1.00 20.60 C ATOM 322 HE1 TRP B 32 -33.981 14.215 -0.225 1.00 0.00 H ATOM 323 H TRP B 32 -39.626 14.276 -5.191 1.00 0.00 H ATOM 324 N GLN B 33 -36.751 16.452 -4.177 1.00 20.10 N ATOM 325 CA GLN B 33 -35.842 17.189 -5.039 1.00 22.34 C ATOM 326 C GLN B 33 -34.628 17.647 -4.264 1.00 21.96 C ATOM 327 O GLN B 33 -34.677 17.848 -3.054 1.00 22.92 O ATOM 328 CB GLN B 33 -36.550 18.356 -5.742 1.00 25.89 C ATOM 329 CG GLN B 33 -37.290 19.327 -4.867 1.00 30.14 C ATOM 330 CD GLN B 33 -38.252 20.187 -5.683 1.00 33.85 C ATOM 331 OE1 GLN B 33 -38.053 20.409 -6.888 1.00 37.50 O ATOM 332 NE2 GLN B 33 -39.300 20.664 -5.039 1.00 35.69 N ATOM 333 HE22 GLN B 33 -39.429 20.454 -4.029 1.00 0.00 H ATOM 334 HE21 GLN B 33 -39.997 21.250 -5.542 1.00 0.00 H ATOM 335 H GLN B 33 -36.825 16.709 -3.172 1.00 0.00 H ATOM 336 N GLY B 34 -33.516 17.816 -4.962 1.00 21.01 N ATOM 337 CA GLY B 34 -32.307 18.277 -4.336 1.00 21.10 C ATOM 338 C GLY B 34 -31.346 18.834 -5.362 1.00 20.73 C ATOM 339 O GLY B 34 -31.497 18.557 -6.556 1.00 20.29 O ATOM 340 H GLY B 34 -33.517 17.612 -5.982 1.00 0.00 H ATOM 341 N THR B 35 -30.380 19.612 -4.885 1.00 21.76 N ATOM 342 CA THR B 35 -29.335 20.213 -5.709 1.00 23.49 C ATOM 343 C THR B 35 -27.931 19.875 -5.218 1.00 23.46 C ATOM 344 O THR B 35 -26.969 20.571 -5.580 1.00 26.95 O ATOM 345 CB THR B 35 -29.481 21.742 -5.729 1.00 24.85 C ATOM 346 OG1 THR B 35 -29.367 22.235 -4.386 1.00 26.64 O ATOM 347 CG2 THR B 35 -30.825 22.129 -6.291 1.00 25.80 C ATOM 348 HG1 THR B 35 -28.482 21.987 -4.019 1.00 0.00 H ATOM 349 H THR B 35 -30.368 19.804 -3.863 1.00 0.00 H ATOM 350 N GLU B 36 -27.829 18.849 -4.375 1.00 24.14 N ATOM 351 CA GLU B 36 -26.558 18.354 -3.858 1.00 23.66 C ATOM 352 C GLU B 36 -26.107 17.175 -4.719 1.00 20.46 C ATOM 353 O GLU B 36 -26.932 16.342 -5.124 1.00 20.63 O ATOM 354 CB GLU B 36 -26.705 17.888 -2.417 1.00 26.48 C ATOM 355 H GLU B 36 -28.703 18.375 -4.069 1.00 0.00 H ATOM 356 N ASP B 37 -24.816 17.105 -5.001 1.00 17.87 N ATOM 357 CA ASP B 37 -24.288 16.058 -5.856 1.00 16.18 C ATOM 358 C ASP B 37 -24.061 14.808 -5.024 1.00 15.99 C ATOM 359 O ASP B 37 -23.009 14.591 -4.419 1.00 15.92 O ATOM 360 CB ASP B 37 -23.009 16.481 -6.590 1.00 16.59 C ATOM 361 CG ASP B 37 -22.546 15.429 -7.590 1.00 17.09 C ATOM 362 OD1 ASP B 37 -23.021 14.296 -7.497 1.00 19.17 O ATOM 363 OD2 ASP B 37 -21.658 15.698 -8.453 1.00 19.95 O ATOM 364 H ASP B 37 -24.168 17.814 -4.602 1.00 0.00 H ATOM 365 N LEU B 38 -25.099 13.975 -5.025 1.00 16.26 N ATOM 366 CA LEU B 38 -25.118 12.760 -4.235 1.00 17.53 C ATOM 367 C LEU B 38 -24.222 11.703 -4.797 1.00 18.22 C ATOM 368 O LEU B 38 -24.053 10.659 -4.140 1.00 19.43 O ATOM 369 CB LEU B 38 -26.543 12.202 -4.159 1.00 19.50 C ATOM 370 CG LEU B 38 -27.561 13.051 -3.427 1.00 21.29 C ATOM 371 CD1 LEU B 38 -28.915 12.352 -3.473 1.00 21.74 C ATOM 372 CD2 LEU B 38 -27.163 13.311 -1.995 1.00 22.48 C ATOM 373 H LEU B 38 -25.925 14.204 -5.613 1.00 0.00 H ATOM 374 N SER B 39 -23.664 11.932 -5.991 1.00 17.80 N ATOM 375 CA SER B 39 -22.735 10.993 -6.611 1.00 19.38 C ATOM 376 C SER B 39 -21.258 11.208 -6.263 1.00 16.44 C ATOM 377 O SER B 39 -20.410 10.445 -6.719 1.00 16.37 O ATOM 378 CB SER B 39 -22.902 10.974 -8.120 1.00 20.90 C ATOM 379 OG SER B 39 -22.278 12.051 -8.749 1.00 22.47 O ATOM 380 HG SER B 39 -22.666 12.898 -8.413 1.00 0.00 H ATOM 381 H SER B 39 -23.901 12.810 -6.495 1.00 0.00 H ATOM 382 N VAL B 40 -20.944 12.213 -5.440 1.00 14.91 N ATOM 383 CA VAL B 40 -19.539 12.440 -5.085 1.00 14.15 C ATOM 384 C VAL B 40 -19.029 11.222 -4.305 1.00 13.58 C ATOM 385 O VAL B 40 -19.657 10.838 -3.305 1.00 13.78 O ATOM 386 CB VAL B 40 -19.363 13.739 -4.293 1.00 14.45 C ATOM 387 CG1 VAL B 40 -17.952 13.840 -3.737 1.00 13.91 C ATOM 388 CG2 VAL B 40 -19.694 14.947 -5.183 1.00 15.43 C ATOM 389 H VAL B 40 -21.689 12.828 -5.055 1.00 0.00 H ATOM 390 N PRO B 41 -17.923 10.598 -4.729 1.00 13.53 N ATOM 391 CA PRO B 41 -17.430 9.426 -4.019 1.00 13.97 C ATOM 392 C PRO B 41 -16.735 9.732 -2.710 1.00 14.92 C ATOM 393 O PRO B 41 -16.269 10.852 -2.496 1.00 14.98 O ATOM 394 CB PRO B 41 -16.412 8.788 -4.997 1.00 15.13 C ATOM 395 CG PRO B 41 -16.252 9.719 -6.105 1.00 16.58 C ATOM 396 CD PRO B 41 -17.175 10.870 -5.973 1.00 13.93 C ATOM 397 N GLY B 42 -16.694 8.734 -1.823 1.00 15.45 N ATOM 398 CA GLY B 42 -15.815 8.776 -0.666 1.00 16.55 C ATOM 399 C GLY B 42 -16.431 9.354 0.575 1.00 17.91 C ATOM 400 O GLY B 42 -15.771 9.374 1.614 1.00 19.74 O ATOM 401 H GLY B 42 -17.307 7.906 -1.964 1.00 0.00 H ATOM 402 N VAL B 43 -17.663 9.823 0.494 1.00 16.35 N ATOM 403 CA VAL B 43 -18.430 10.233 1.681 1.00 18.31 C ATOM 404 C VAL B 43 -19.793 9.566 1.642 1.00 18.52 C ATOM 405 O VAL B 43 -20.340 9.325 0.588 1.00 19.64 O ATOM 406 CB VAL B 43 -18.593 11.762 1.787 1.00 20.30 C ATOM 407 CG1 VAL B 43 -17.227 12.405 1.966 1.00 21.32 C ATOM 408 CG2 VAL B 43 -19.369 12.340 0.595 1.00 21.65 C ATOM 409 H VAL B 43 -18.107 9.906 -0.443 1.00 0.00 H ATOM 410 N GLU B 44 -20.354 9.238 2.799 1.00 18.82 N ATOM 411 CA GLU B 44 -21.701 8.683 2.814 1.00 19.16 C ATOM 412 C GLU B 44 -22.702 9.808 2.826 1.00 18.50 C ATOM 413 O GLU B 44 -22.847 10.530 3.824 1.00 21.30 O ATOM 414 CB GLU B 44 -21.953 7.796 4.023 1.00 20.83 C ATOM 415 CG GLU B 44 -23.325 7.131 3.995 1.00 22.26 C ATOM 416 CD GLU B 44 -23.564 6.301 5.235 1.00 23.25 C ATOM 417 OE1 GLU B 44 -23.066 5.161 5.241 1.00 24.88 O ATOM 418 OE2 GLU B 44 -24.206 6.823 6.185 1.00 25.61 O ATOM 419 H GLU B 44 -19.835 9.376 3.690 1.00 0.00 H ATOM 420 N HIS B 45 -23.438 9.931 1.762 1.00 15.61 N ATOM 421 CA HIS B 45 -24.487 10.895 1.649 1.00 14.03 C ATOM 422 C HIS B 45 -25.738 10.407 2.352 1.00 14.30 C ATOM 423 O HIS B 45 -25.877 9.268 2.656 1.00 14.06 O ATOM 424 CB HIS B 45 -24.817 11.158 0.159 1.00 13.90 C ATOM 425 CG HIS B 45 -23.645 11.603 -0.655 1.00 13.97 C ATOM 426 ND1 HIS B 45 -23.231 12.905 -0.711 1.00 14.37 N ATOM 427 CD2 HIS B 45 -22.795 10.908 -1.430 1.00 13.84 C ATOM 428 CE1 HIS B 45 -22.186 12.992 -1.496 1.00 14.53 C ATOM 429 NE2 HIS B 45 -21.896 11.794 -1.944 1.00 14.23 N ATOM 430 H HIS B 45 -23.255 9.299 0.956 1.00 0.00 H ATOM 431 N GLU B 46 -26.618 11.337 2.639 1.00 15.27 N ATOM 432 CA GLU B 46 -27.909 11.007 3.227 1.00 16.44 C ATOM 433 C GLU B 46 -29.012 11.679 2.447 1.00 15.84 C ATOM 434 O GLU B 46 -28.832 12.797 1.945 1.00 17.40 O ATOM 435 CB GLU B 46 -28.006 11.543 4.667 1.00 19.50 C ATOM 436 CG GLU B 46 -26.995 11.005 5.666 1.00 23.64 C ATOM 437 CD GLU B 46 -27.144 11.630 7.051 1.00 28.05 C ATOM 438 OE1 GLU B 46 -27.687 12.752 7.166 1.00 32.48 O ATOM 439 OE2 GLU B 46 -26.705 10.997 8.034 1.00 32.97 O ATOM 440 H GLU B 46 -26.389 12.332 2.442 1.00 0.00 H ATOM 441 N ALA B 47 -30.165 11.044 2.386 1.00 14.76 N ATOM 442 CA ALA B 47 -31.357 11.665 1.823 1.00 15.08 C ATOM 443 C ALA B 47 -32.587 11.229 2.588 1.00 15.62 C ATOM 444 O ALA B 47 -32.658 10.104 3.068 1.00 14.70 O ATOM 445 CB ALA B 47 -31.504 11.321 0.346 1.00 16.20 C ATOM 446 H ALA B 47 -30.226 10.072 2.750 1.00 0.00 H ATOM 447 N ARG B 48 -33.541 12.145 2.709 1.00 16.03 N ATOM 448 CA ARG B 48 -34.798 11.898 3.382 1.00 17.34 C ATOM 449 C ARG B 48 -35.896 11.933 2.346 1.00 17.60 C ATOM 450 O ARG B 48 -36.103 12.972 1.692 1.00 20.35 O ATOM 451 CB ARG B 48 -35.040 12.967 4.439 1.00 19.38 C ATOM 452 CG ARG B 48 -33.934 13.049 5.456 1.00 21.29 C ATOM 453 CD ARG B 48 -34.063 14.257 6.358 1.00 24.33 C ATOM 454 NE ARG B 48 -32.811 14.459 7.073 1.00 26.77 N ATOM 455 CZ ARG B 48 -32.594 15.446 7.942 1.00 28.93 C ATOM 456 NH1 ARG B 48 -33.562 16.316 8.217 1.00 29.80 N ATOM 457 NH2 ARG B 48 -31.411 15.546 8.545 1.00 31.03 N ATOM 458 HE ARG B 48 -32.035 13.790 6.894 1.00 0.00 H ATOM 459 HH12 ARG B 48 -33.392 17.086 8.895 1.00 0.00 H ATOM 460 HH11 ARG B 48 -34.489 16.226 7.754 1.00 0.00 H ATOM 461 HH22 ARG B 48 -31.237 16.314 9.224 1.00 0.00 H ATOM 462 HH21 ARG B 48 -30.661 14.856 8.337 1.00 0.00 H ATOM 463 H ARG B 48 -33.376 13.087 2.300 1.00 0.00 H ATOM 464 N VAL B 49 -36.572 10.813 2.169 1.00 16.92 N ATOM 465 CA VAL B 49 -37.616 10.664 1.165 1.00 17.42 C ATOM 466 C VAL B 49 -38.947 10.412 1.850 1.00 18.19 C ATOM 467 O VAL B 49 -38.991 9.758 2.892 1.00 17.99 O ATOM 468 CB VAL B 49 -37.324 9.559 0.124 1.00 18.64 C ATOM 469 CG1 VAL B 49 -36.122 9.948 -0.714 1.00 19.88 C ATOM 470 CG2 VAL B 49 -37.122 8.199 0.761 1.00 19.46 C ATOM 471 H VAL B 49 -36.348 9.998 2.776 1.00 0.00 H ATOM 472 N PRO B 50 -40.049 10.935 1.300 1.00 18.43 N ATOM 473 CA PRO B 50 -41.329 10.665 1.956 1.00 18.80 C ATOM 474 C PRO B 50 -41.663 9.190 1.971 1.00 18.41 C ATOM 475 O PRO B 50 -41.467 8.479 0.988 1.00 18.07 O ATOM 476 CB PRO B 50 -42.342 11.460 1.114 1.00 19.42 C ATOM 477 CG PRO B 50 -41.684 11.648 -0.190 1.00 21.29 C ATOM 478 CD PRO B 50 -40.214 11.747 0.076 1.00 19.52 C ATOM 479 N LYS B 51 -42.175 8.687 3.089 1.00 18.58 N ATOM 480 CA LYS B 51 -42.458 7.258 3.171 1.00 20.58 C ATOM 481 C LYS B 51 -43.454 6.750 2.147 1.00 19.85 C ATOM 482 O LYS B 51 -43.425 5.589 1.783 1.00 19.48 O ATOM 483 CB LYS B 51 -42.876 6.833 4.574 1.00 23.54 C ATOM 484 CG LYS B 51 -44.115 7.507 5.113 1.00 25.56 C ATOM 485 CD LYS B 51 -44.331 7.107 6.578 1.00 28.83 C ATOM 486 CE LYS B 51 -43.309 7.761 7.488 1.00 32.08 C ATOM 487 NZ LYS B 51 -43.527 7.446 8.932 1.00 36.34 N ATOM 488 HZ1 LYS B 51 -44.468 7.781 9.220 1.00 0.00 H ATOM 489 HZ2 LYS B 51 -43.465 6.418 9.074 1.00 0.00 H ATOM 490 HZ3 LYS B 51 -42.799 7.920 9.503 1.00 0.00 H ATOM 491 H LYS B 51 -42.373 9.307 3.900 1.00 0.00 H ATOM 492 N LYS B 52 -44.332 7.626 1.664 1.00 20.65 N ATOM 493 CA LYS B 52 -45.267 7.239 0.613 1.00 21.90 C ATOM 494 C LYS B 52 -44.607 6.747 -0.675 1.00 20.36 C ATOM 495 O LYS B 52 -45.241 6.062 -1.468 1.00 20.71 O ATOM 496 CB LYS B 52 -46.231 8.386 0.277 1.00 25.37 C ATOM 497 CG LYS B 52 -45.591 9.526 -0.495 1.00 28.53 C ATOM 498 CD LYS B 52 -46.635 10.490 -1.064 1.00 31.98 C ATOM 499 CE LYS B 52 -47.404 11.210 0.034 1.00 33.71 C ATOM 500 NZ LYS B 52 -46.510 12.007 0.923 1.00 34.59 N ATOM 501 HZ1 LYS B 52 -45.819 11.374 1.375 1.00 0.00 H ATOM 502 HZ2 LYS B 52 -46.009 12.722 0.358 1.00 0.00 H ATOM 503 HZ3 LYS B 52 -47.080 12.478 1.654 1.00 0.00 H ATOM 504 H LYS B 52 -44.352 8.596 2.039 1.00 0.00 H ATOM 505 N ILE B 53 -43.325 7.071 -0.883 1.00 18.85 N ATOM 506 CA ILE B 53 -42.613 6.574 -2.063 1.00 18.44 C ATOM 507 C ILE B 53 -42.669 5.048 -2.122 1.00 17.87 C ATOM 508 O ILE B 53 -42.678 4.452 -3.186 1.00 17.94 O ATOM 509 CB ILE B 53 -41.151 7.078 -2.117 1.00 18.18 C ATOM 510 CG1 ILE B 53 -40.594 6.927 -3.532 1.00 19.42 C ATOM 511 CG2 ILE B 53 -40.261 6.359 -1.093 1.00 18.05 C ATOM 512 CD1 ILE B 53 -39.303 7.667 -3.753 1.00 19.98 C ATOM 513 H ILE B 53 -42.830 7.681 -0.201 1.00 0.00 H ATOM 514 N LEU B 54 -42.742 4.406 -0.952 1.00 17.83 N ATOM 515 CA LEU B 54 -42.769 2.962 -0.900 1.00 18.00 C ATOM 516 C LEU B 54 -44.056 2.345 -1.449 1.00 18.69 C ATOM 517 O LEU B 54 -44.100 1.166 -1.767 1.00 18.85 O ATOM 518 CB LEU B 54 -42.525 2.491 0.544 1.00 18.13 C ATOM 519 CG LEU B 54 -41.138 2.818 1.093 1.00 17.63 C ATOM 520 CD1 LEU B 54 -41.114 2.499 2.574 1.00 18.22 C ATOM 521 CD2 LEU B 54 -40.027 2.060 0.412 1.00 17.09 C ATOM 522 H LEU B 54 -42.780 4.952 -0.068 1.00 0.00 H ATOM 523 N LYS B 55 -45.087 3.173 -1.567 1.00 21.16 N ATOM 524 CA LYS B 55 -46.379 2.751 -2.079 1.00 23.59 C ATOM 525 C LYS B 55 -46.514 3.000 -3.580 1.00 25.32 C ATOM 526 O LYS B 55 -47.485 2.555 -4.185 1.00 25.67 O ATOM 527 CB LYS B 55 -47.485 3.505 -1.335 1.00 25.70 C ATOM 528 CG LYS B 55 -47.456 3.335 0.174 1.00 29.36 C ATOM 529 CD LYS B 55 -47.791 1.912 0.573 1.00 32.16 C ATOM 530 CE LYS B 55 -47.949 1.802 2.085 1.00 35.27 C ATOM 531 NZ LYS B 55 -48.393 0.444 2.488 1.00 36.98 N ATOM 532 HZ1 LYS B 55 -49.310 0.235 2.044 1.00 0.00 H ATOM 533 HZ2 LYS B 55 -47.689 -0.256 2.178 1.00 0.00 H ATOM 534 HZ3 LYS B 55 -48.490 0.405 3.523 1.00 0.00 H ATOM 535 H LYS B 55 -44.964 4.165 -1.281 1.00 0.00 H ATOM 536 N CYS B 56 -45.544 3.693 -4.179 1.00 24.70 N ATOM 537 CA CYS B 56 -45.565 3.977 -5.622 1.00 25.79 C ATOM 538 C CYS B 56 -45.183 2.746 -6.401 1.00 26.77 C ATOM 539 O CYS B 56 -44.168 2.106 -6.106 1.00 29.38 O ATOM 540 CB CYS B 56 -44.563 5.073 -5.970 1.00 26.65 C ATOM 541 SG CYS B 56 -44.938 6.661 -5.262 1.00 28.98 S ATOM 542 H CYS B 56 -44.748 4.043 -3.608 1.00 0.00 H ATOM 543 N LYS B 57 -45.966 2.417 -7.422 1.00 25.20 N ATOM 544 CA LYS B 57 -45.646 1.302 -8.293 1.00 27.68 C ATOM 545 C LYS B 57 -44.379 1.644 -9.099 1.00 26.35 C ATOM 546 O LYS B 57 -43.510 0.799 -9.302 1.00 28.36 O ATOM 547 CB LYS B 57 -46.826 1.039 -9.232 1.00 31.29 C ATOM 548 CG LYS B 57 -46.690 -0.197 -10.102 1.00 36.02 C ATOM 549 CD LYS B 57 -47.700 -0.165 -11.246 1.00 39.88 C ATOM 550 CE LYS B 57 -47.540 -1.361 -12.170 1.00 43.15 C ATOM 551 NZ LYS B 57 -47.902 -2.643 -11.500 1.00 45.54 N ATOM 552 HZ1 LYS B 57 -47.286 -2.787 -10.674 1.00 0.00 H ATOM 553 HZ2 LYS B 57 -48.894 -2.603 -11.191 1.00 0.00 H ATOM 554 HZ3 LYS B 57 -47.777 -3.430 -12.169 1.00 0.00 H ATOM 555 H LYS B 57 -46.828 2.971 -7.601 1.00 0.00 H ATOM 556 N ALA B 58 -44.299 2.890 -9.541 1.00 25.13 N ATOM 557 CA ALA B 58 -43.162 3.360 -10.321 1.00 24.32 C ATOM 558 C ALA B 58 -42.821 4.802 -9.990 1.00 22.84 C ATOM 559 O ALA B 58 -43.699 5.637 -9.735 1.00 22.86 O ATOM 560 CB ALA B 58 -43.446 3.207 -11.809 1.00 24.90 C ATOM 561 H ALA B 58 -45.071 3.553 -9.325 1.00 0.00 H ATOM 562 N VAL B 59 -41.519 5.092 -9.970 1.00 21.30 N ATOM 563 CA VAL B 59 -41.026 6.412 -9.655 1.00 20.57 C ATOM 564 C VAL B 59 -40.236 6.902 -10.859 1.00 20.30 C ATOM 565 O VAL B 59 -39.426 6.158 -11.407 1.00 22.02 O ATOM 566 CB VAL B 59 -40.115 6.358 -8.408 1.00 20.57 C ATOM 567 CG1 VAL B 59 -39.448 7.695 -8.161 1.00 21.74 C ATOM 568 CG2 VAL B 59 -40.934 5.926 -7.185 1.00 20.33 C ATOM 569 H VAL B 59 -40.835 4.340 -10.189 1.00 0.00 H ATOM 570 N SER B 60 -40.484 8.132 -11.271 1.00 20.35 N ATOM 571 CA SER B 60 -39.696 8.695 -12.356 1.00 22.09 C ATOM 572 C SER B 60 -38.669 9.653 -11.777 1.00 19.90 C ATOM 573 O SER B 60 -38.961 10.463 -10.893 1.00 20.34 O ATOM 574 CB SER B 60 -40.612 9.372 -13.373 1.00 24.47 C ATOM 575 OG SER B 60 -41.080 10.588 -12.873 1.00 29.49 O ATOM 576 HG SER B 60 -40.312 11.183 -12.684 1.00 0.00 H ATOM 577 H SER B 60 -41.236 8.693 -10.823 1.00 0.00 H ATOM 578 N ARG B 61 -37.446 9.545 -12.291 1.00 18.10 N ATOM 579 CA ARG B 61 -36.320 10.350 -11.831 1.00 17.73 C ATOM 580 C ARG B 61 -35.842 11.256 -12.967 1.00 17.37 C ATOM 581 O ARG B 61 -35.728 10.787 -14.108 1.00 18.87 O ATOM 582 CB ARG B 61 -35.170 9.437 -11.406 1.00 17.12 C ATOM 583 CG ARG B 61 -33.926 10.180 -10.954 1.00 16.56 C ATOM 584 CD ARG B 61 -32.887 9.255 -10.406 1.00 16.15 C ATOM 585 NE ARG B 61 -32.342 8.388 -11.431 1.00 15.49 N ATOM 586 CZ ARG B 61 -31.869 7.164 -11.229 1.00 16.41 C ATOM 587 NH1 ARG B 61 -31.922 6.584 -10.026 1.00 15.97 N ATOM 588 NH2 ARG B 61 -31.336 6.502 -12.228 1.00 16.88 N ATOM 589 HE ARG B 61 -32.319 8.754 -12.404 1.00 0.00 H ATOM 590 HH12 ARG B 61 -31.544 5.624 -9.894 1.00 0.00 H ATOM 591 HH11 ARG B 61 -32.341 7.093 -9.221 1.00 0.00 H ATOM 592 HH22 ARG B 61 -30.964 5.543 -12.076 1.00 0.00 H ATOM 593 HH21 ARG B 61 -31.286 6.936 -13.172 1.00 0.00 H ATOM 594 H ARG B 61 -37.286 8.857 -13.054 1.00 0.00 H ATOM 595 N GLU B 62 -35.564 12.509 -12.634 1.00 18.02 N ATOM 596 CA GLU B 62 -34.837 13.434 -13.520 1.00 20.02 C ATOM 597 C GLU B 62 -33.521 13.787 -12.866 1.00 20.00 C ATOM 598 O GLU B 62 -33.506 14.233 -11.735 1.00 20.56 O ATOM 599 CB GLU B 62 -35.598 14.735 -13.720 1.00 23.80 C ATOM 600 CG GLU B 62 -36.712 14.724 -14.737 1.00 27.01 C ATOM 601 CD GLU B 62 -37.203 16.142 -15.008 1.00 29.33 C ATOM 602 OE1 GLU B 62 -37.288 16.946 -14.050 1.00 30.12 O ATOM 603 OE2 GLU B 62 -37.494 16.464 -16.176 1.00 36.22 O ATOM 604 H GLU B 62 -35.874 12.855 -11.703 1.00 0.00 H ATOM 605 N LEU B 63 -32.424 13.650 -13.599 1.00 19.02 N ATOM 606 CA LEU B 63 -31.067 13.812 -13.077 1.00 19.32 C ATOM 607 C LEU B 63 -30.360 14.745 -14.062 1.00 18.77 C ATOM 608 O LEU B 63 -30.142 14.360 -15.230 1.00 21.25 O ATOM 609 CB LEU B 63 -30.374 12.437 -13.028 1.00 20.76 C ATOM 610 CG LEU B 63 -29.029 12.249 -12.333 1.00 23.25 C ATOM 611 CD1 LEU B 63 -28.764 10.755 -12.142 1.00 24.95 C ATOM 612 CD2 LEU B 63 -27.912 12.923 -13.128 1.00 23.71 C ATOM 613 H LEU B 63 -32.535 13.413 -14.606 1.00 0.00 H ATOM 614 N ASN B 64 -30.009 15.943 -13.635 1.00 16.17 N ATOM 615 CA ASN B 64 -29.379 16.920 -14.522 1.00 16.32 C ATOM 616 C ASN B 64 -27.886 16.968 -14.210 1.00 15.56 C ATOM 617 O ASN B 64 -27.499 17.157 -13.047 1.00 14.70 O ATOM 618 CB ASN B 64 -30.013 18.289 -14.341 1.00 17.02 C ATOM 619 CG ASN B 64 -29.412 19.339 -15.261 1.00 17.79 C ATOM 620 OD1 ASN B 64 -28.415 19.984 -14.930 1.00 18.29 O ATOM 621 ND2 ASN B 64 -30.035 19.521 -16.415 1.00 18.46 N ATOM 622 HD22 ASN B 64 -30.873 18.951 -16.649 1.00 0.00 H ATOM 623 HD21 ASN B 64 -29.686 20.234 -17.088 1.00 0.00 H ATOM 624 H ASN B 64 -30.185 16.199 -12.642 1.00 0.00 H ATOM 625 N PHE B 65 -27.043 16.753 -15.225 1.00 14.69 N ATOM 626 CA PHE B 65 -25.615 16.641 -15.017 1.00 14.50 C ATOM 627 C PHE B 65 -24.853 17.383 -16.077 1.00 14.52 C ATOM 628 O PHE B 65 -25.367 17.569 -17.194 1.00 14.82 O ATOM 629 CB PHE B 65 -25.165 15.185 -14.989 1.00 14.58 C ATOM 630 CG PHE B 65 -25.273 14.488 -16.313 1.00 15.09 C ATOM 631 CD1 PHE B 65 -26.451 13.878 -16.699 1.00 15.59 C ATOM 632 CD2 PHE B 65 -24.185 14.454 -17.172 1.00 15.50 C ATOM 633 CE1 PHE B 65 -26.546 13.242 -17.927 1.00 15.67 C ATOM 634 CE2 PHE B 65 -24.274 13.822 -18.404 1.00 15.89 C ATOM 635 CZ PHE B 65 -25.455 13.245 -18.783 1.00 15.87 C ATOM 636 H PHE B 65 -27.423 16.664 -16.189 1.00 0.00 H ATOM 637 N SER B 66 -23.645 17.787 -15.729 1.00 14.44 N ATOM 638 CA SER B 66 -22.722 18.403 -16.675 1.00 14.73 C ATOM 639 C SER B 66 -21.482 17.545 -16.797 1.00 14.60 C ATOM 640 O SER B 66 -21.077 16.858 -15.853 1.00 13.91 O ATOM 641 CB SER B 66 -22.349 19.808 -16.233 1.00 15.61 C ATOM 642 OG SER B 66 -23.509 20.612 -16.051 1.00 17.85 O ATOM 643 HG SER B 66 -24.007 20.669 -16.905 1.00 0.00 H ATOM 644 H SER B 66 -23.340 17.661 -14.743 1.00 0.00 H ATOM 645 N SER B 67 -20.836 17.588 -17.963 1.00 14.37 N ATOM 646 CA SER B 67 -19.657 16.772 -18.214 1.00 14.05 C ATOM 647 C SER B 67 -18.721 17.519 -19.143 1.00 13.76 C ATOM 648 O SER B 67 -19.098 17.754 -20.303 1.00 14.46 O ATOM 649 CB SER B 67 -20.035 15.424 -18.845 1.00 13.84 C ATOM 650 OG SER B 67 -18.897 14.611 -19.046 1.00 13.58 O ATOM 651 HG SER B 67 -18.458 14.439 -18.176 1.00 0.00 H ATOM 652 H SER B 67 -21.183 18.221 -18.712 1.00 0.00 H ATOM 653 N THR B 68 -17.516 17.836 -18.705 1.00 13.66 N ATOM 654 CA THR B 68 -16.536 18.412 -19.631 1.00 14.04 C ATOM 655 C THR B 68 -16.121 17.357 -20.628 1.00 14.20 C ATOM 656 O THR B 68 -15.827 17.701 -21.775 1.00 14.76 O ATOM 657 CB THR B 68 -15.290 18.986 -18.956 1.00 14.58 C ATOM 658 OG1 THR B 68 -14.510 17.959 -18.351 1.00 15.02 O ATOM 659 CG2 THR B 68 -15.664 20.043 -17.936 1.00 14.64 C ATOM 660 HG1 THR B 68 -14.224 17.312 -19.044 1.00 0.00 H ATOM 661 H THR B 68 -17.264 17.678 -17.709 1.00 0.00 H ATOM 662 N GLU B 69 -16.075 16.092 -20.240 1.00 13.15 N ATOM 663 CA GLU B 69 -15.563 15.041 -21.100 1.00 13.51 C ATOM 664 C GLU B 69 -16.644 14.388 -21.938 1.00 13.40 C ATOM 665 O GLU B 69 -17.781 14.202 -21.511 1.00 13.99 O ATOM 666 CB GLU B 69 -14.856 13.954 -20.290 1.00 13.99 C ATOM 667 CG GLU B 69 -13.698 14.476 -19.458 1.00 14.25 C ATOM 668 CD GLU B 69 -12.771 15.371 -20.258 1.00 14.75 C ATOM 669 OE1 GLU B 69 -12.091 14.830 -21.144 1.00 17.11 O ATOM 670 OE2 GLU B 69 -12.775 16.596 -20.015 1.00 16.29 O ATOM 671 H GLU B 69 -16.416 15.844 -19.289 1.00 0.00 H ATOM 672 N GLN B 70 -16.275 14.023 -23.163 1.00 13.07 N ATOM 673 CA GLN B 70 -17.119 13.235 -24.025 1.00 13.81 C ATOM 674 C GLN B 70 -17.219 11.832 -23.450 1.00 14.23 C ATOM 675 O GLN B 70 -16.226 11.292 -22.973 1.00 15.66 O ATOM 676 CB GLN B 70 -16.497 13.159 -25.418 1.00 13.89 C ATOM 677 CG GLN B 70 -17.331 12.395 -26.429 1.00 13.91 C ATOM 678 CD GLN B 70 -16.835 12.606 -27.839 1.00 13.54 C ATOM 679 OE1 GLN B 70 -16.849 13.738 -28.311 1.00 14.29 O ATOM 680 NE2 GLN B 70 -16.397 11.538 -28.497 1.00 15.41 N ATOM 681 HE22 GLN B 70 -16.411 10.604 -28.040 1.00 0.00 H ATOM 682 HE21 GLN B 70 -16.040 11.636 -29.469 1.00 0.00 H ATOM 683 H GLN B 70 -15.341 14.318 -23.512 1.00 0.00 H ATOM 684 N MET B 71 -18.410 11.251 -23.508 1.00 14.46 N ATOM 685 CA MET B 71 -18.574 9.825 -23.210 1.00 15.79 C ATOM 686 C MET B 71 -19.353 9.157 -24.313 1.00 16.29 C ATOM 687 O MET B 71 -20.274 9.752 -24.846 1.00 16.82 O ATOM 688 CB MET B 71 -19.295 9.589 -21.886 1.00 16.72 C ATOM 689 CG MET B 71 -18.462 9.982 -20.681 1.00 17.05 C ATOM 690 SD MET B 71 -19.300 9.576 -19.141 1.00 19.10 S ATOM 691 CE MET B 71 -20.095 11.082 -18.831 1.00 18.37 C ATOM 692 H MET B 71 -19.242 11.817 -23.770 1.00 0.00 H ATOM 693 N GLU B 72 -19.013 7.909 -24.612 1.00 18.53 N ATOM 694 CA GLU B 72 -19.694 7.181 -25.678 1.00 20.07 C ATOM 695 C GLU B 72 -20.984 6.519 -25.190 1.00 18.76 C ATOM 696 O GLU B 72 -22.028 6.560 -25.851 1.00 20.65 O ATOM 697 CB GLU B 72 -18.775 6.118 -26.280 1.00 23.02 C ATOM 698 H GLU B 72 -18.251 7.444 -24.079 1.00 0.00 H ATOM 699 N LYS B 73 -20.918 5.968 -23.974 1.00 17.74 N ATOM 700 CA LYS B 73 -22.014 5.175 -23.434 1.00 18.45 C ATOM 701 C LYS B 73 -22.117 5.369 -21.930 1.00 16.47 C ATOM 702 O LYS B 73 -21.834 4.456 -21.148 1.00 16.27 O ATOM 703 CB LYS B 73 -21.824 3.707 -23.751 1.00 21.38 C ATOM 704 CG LYS B 73 -23.068 2.883 -23.482 1.00 26.41 C ATOM 705 CD LYS B 73 -22.873 1.446 -23.919 1.00 31.87 C ATOM 706 CE LYS B 73 -23.937 0.547 -23.313 1.00 36.62 C ATOM 707 NZ LYS B 73 -24.017 -0.754 -24.038 1.00 39.48 N ATOM 708 HZ1 LYS B 73 -24.256 -0.580 -25.035 1.00 0.00 H ATOM 709 HZ2 LYS B 73 -23.099 -1.239 -23.980 1.00 0.00 H ATOM 710 HZ3 LYS B 73 -24.752 -1.348 -23.603 1.00 0.00 H ATOM 711 H LYS B 73 -20.063 6.109 -23.399 1.00 0.00 H ATOM 712 N PHE B 74 -22.512 6.562 -21.547 1.00 15.25 N ATOM 713 CA PHE B 74 -22.699 6.880 -20.127 1.00 15.02 C ATOM 714 C PHE B 74 -23.875 6.060 -19.613 1.00 14.80 C ATOM 715 O PHE B 74 -24.930 6.019 -20.230 1.00 15.05 O ATOM 716 CB PHE B 74 -22.937 8.382 -19.986 1.00 15.36 C ATOM 717 CG PHE B 74 -23.156 8.864 -18.587 1.00 17.26 C ATOM 718 CD1 PHE B 74 -22.364 8.432 -17.544 1.00 19.53 C ATOM 719 CD2 PHE B 74 -24.122 9.805 -18.337 1.00 18.84 C ATOM 720 CE1 PHE B 74 -22.589 8.929 -16.262 1.00 21.51 C ATOM 721 CE2 PHE B 74 -24.358 10.299 -17.061 1.00 21.05 C ATOM 722 CZ PHE B 74 -23.589 9.844 -16.016 1.00 22.42 C ATOM 723 H PHE B 74 -22.695 7.294 -22.263 1.00 0.00 H ATOM 724 N ARG B 75 -23.680 5.408 -18.472 1.00 14.14 N ATOM 725 CA ARG B 75 -24.704 4.557 -17.906 1.00 13.41 C ATOM 726 C ARG B 75 -24.488 4.471 -16.402 1.00 13.84 C ATOM 727 O ARG B 75 -23.429 4.795 -15.886 1.00 13.63 O ATOM 728 CB ARG B 75 -24.681 3.161 -18.560 1.00 14.19 C ATOM 729 CG ARG B 75 -23.476 2.345 -18.276 1.00 14.56 C ATOM 730 CD ARG B 75 -23.455 1.007 -19.029 1.00 15.45 C ATOM 731 NE ARG B 75 -22.300 0.242 -18.619 1.00 16.75 N ATOM 732 CZ ARG B 75 -22.260 -0.570 -17.566 1.00 17.78 C ATOM 733 NH1 ARG B 75 -23.333 -0.759 -16.812 1.00 18.93 N ATOM 734 NH2 ARG B 75 -21.148 -1.200 -17.271 1.00 18.22 N ATOM 735 HE ARG B 75 -21.435 0.333 -19.190 1.00 0.00 H ATOM 736 HH12 ARG B 75 -23.286 -1.397 -15.992 1.00 0.00 H ATOM 737 HH11 ARG B 75 -24.222 -0.269 -17.040 1.00 0.00 H ATOM 738 HH22 ARG B 75 -21.113 -1.836 -16.449 1.00 0.00 H ATOM 739 HH21 ARG B 75 -20.301 -1.064 -17.860 1.00 0.00 H ATOM 740 H ARG B 75 -22.772 5.512 -17.975 1.00 0.00 H ATOM 741 N LEU B 76 -25.491 3.965 -15.701 1.00 14.46 N ATOM 742 CA LEU B 76 -25.445 3.777 -14.247 1.00 15.94 C ATOM 743 C LEU B 76 -25.883 2.356 -13.873 1.00 14.54 C ATOM 744 O LEU B 76 -26.752 1.824 -14.505 1.00 14.96 O ATOM 745 CB LEU B 76 -26.444 4.735 -13.568 1.00 22.48 C ATOM 746 CG LEU B 76 -26.314 6.204 -13.677 1.00 24.63 C ATOM 747 CD1 LEU B 76 -27.418 6.857 -12.919 1.00 23.75 C ATOM 748 CD2 LEU B 76 -24.952 6.636 -13.199 1.00 27.87 C ATOM 749 H LEU B 76 -26.356 3.687 -16.207 1.00 0.00 H ATOM 750 N GLU B 77 -25.270 1.809 -12.832 1.00 13.45 N ATOM 751 CA GLU B 77 -25.759 0.633 -12.123 1.00 14.22 C ATOM 752 C GLU B 77 -26.045 1.051 -10.696 1.00 13.79 C ATOM 753 O GLU B 77 -25.242 1.735 -10.071 1.00 14.28 O ATOM 754 CB GLU B 77 -24.720 -0.473 -12.117 1.00 15.01 C ATOM 755 CG GLU B 77 -24.328 -0.965 -13.507 1.00 16.84 C ATOM 756 CD GLU B 77 -23.338 -2.105 -13.504 1.00 19.87 C ATOM 757 OE1 GLU B 77 -22.872 -2.558 -12.437 1.00 20.92 O ATOM 758 OE2 GLU B 77 -22.987 -2.543 -14.617 1.00 20.82 O ATOM 759 H GLU B 77 -24.386 2.246 -12.501 1.00 0.00 H ATOM 760 N GLN B 78 -27.189 0.649 -10.183 1.00 13.30 N ATOM 761 CA GLN B 78 -27.539 0.952 -8.801 1.00 13.66 C ATOM 762 C GLN B 78 -27.971 -0.296 -8.100 1.00 14.07 C ATOM 763 O GLN B 78 -28.667 -1.132 -8.671 1.00 16.06 O ATOM 764 CB GLN B 78 -28.619 2.000 -8.719 1.00 14.36 C ATOM 765 CG GLN B 78 -28.215 3.315 -9.352 1.00 14.98 C ATOM 766 CD GLN B 78 -29.283 4.365 -9.195 1.00 14.96 C ATOM 767 OE1 GLN B 78 -30.335 4.312 -9.853 1.00 16.19 O ATOM 768 NE2 GLN B 78 -29.037 5.327 -8.312 1.00 15.53 N ATOM 769 HE22 GLN B 78 -28.141 5.331 -7.783 1.00 0.00 H ATOM 770 HE21 GLN B 78 -29.740 6.076 -8.150 1.00 0.00 H ATOM 771 H GLN B 78 -27.853 0.107 -10.773 1.00 0.00 H ATOM 772 N LYS B 79 -27.548 -0.422 -6.857 1.00 13.92 N ATOM 773 CA LYS B 79 -27.956 -1.533 -5.993 1.00 14.08 C ATOM 774 C LYS B 79 -28.595 -0.979 -4.738 1.00 13.73 C ATOM 775 O LYS B 79 -28.087 -0.023 -4.126 1.00 13.78 O ATOM 776 CB LYS B 79 -26.783 -2.397 -5.630 1.00 15.85 C ATOM 777 CG LYS B 79 -26.301 -3.256 -6.779 1.00 18.41 C ATOM 778 CD LYS B 79 -25.127 -4.097 -6.339 1.00 21.75 C ATOM 779 CE LYS B 79 -24.671 -5.070 -7.405 1.00 25.30 C ATOM 780 NZ LYS B 79 -23.545 -5.875 -6.858 1.00 27.61 N ATOM 781 HZ1 LYS B 79 -22.763 -5.242 -6.596 1.00 0.00 H ATOM 782 HZ2 LYS B 79 -23.868 -6.394 -6.017 1.00 0.00 H ATOM 783 HZ3 LYS B 79 -23.220 -6.549 -7.580 1.00 0.00 H ATOM 784 H LYS B 79 -26.899 0.296 -6.475 1.00 0.00 H ATOM 785 N VAL B 80 -29.721 -1.567 -4.358 1.00 12.76 N ATOM 786 CA VAL B 80 -30.430 -1.265 -3.128 1.00 12.84 C ATOM 787 C VAL B 80 -29.996 -2.287 -2.100 1.00 13.08 C ATOM 788 O VAL B 80 -30.292 -3.472 -2.249 1.00 14.14 O ATOM 789 CB VAL B 80 -31.938 -1.356 -3.338 1.00 14.12 C ATOM 790 CG1 VAL B 80 -32.657 -1.055 -2.024 1.00 15.54 C ATOM 791 CG2 VAL B 80 -32.380 -0.443 -4.484 1.00 15.62 C ATOM 792 H VAL B 80 -30.123 -2.294 -4.984 1.00 0.00 H ATOM 793 N TYR B 81 -29.292 -1.824 -1.071 1.00 12.38 N ATOM 794 CA TYR B 81 -28.784 -2.670 0.003 1.00 12.79 C ATOM 795 C TYR B 81 -29.575 -2.426 1.281 1.00 12.89 C ATOM 796 O TYR B 81 -29.772 -1.277 1.697 1.00 13.46 O ATOM 797 CB TYR B 81 -27.334 -2.373 0.291 1.00 13.68 C ATOM 798 CG TYR B 81 -26.351 -2.963 -0.692 1.00 14.97 C ATOM 799 CD1 TYR B 81 -25.928 -4.258 -0.554 1.00 15.94 C ATOM 800 CD2 TYR B 81 -25.796 -2.201 -1.721 1.00 16.19 C ATOM 801 CE1 TYR B 81 -24.996 -4.815 -1.422 1.00 17.09 C ATOM 802 CE2 TYR B 81 -24.874 -2.758 -2.600 1.00 17.78 C ATOM 803 CZ TYR B 81 -24.468 -4.053 -2.430 1.00 18.32 C ATOM 804 OH TYR B 81 -23.537 -4.618 -3.308 1.00 22.71 O ATOM 805 HH TYR B 81 -22.695 -4.098 -3.274 1.00 0.00 H ATOM 806 H TYR B 81 -29.093 -0.804 -1.030 1.00 0.00 H ATOM 807 N PHE B 82 -30.001 -3.505 1.914 1.00 13.09 N ATOM 808 CA PHE B 82 -30.679 -3.466 3.213 1.00 12.84 C ATOM 809 C PHE B 82 -29.825 -4.243 4.180 1.00 12.96 C ATOM 810 O PHE B 82 -29.641 -5.435 4.012 1.00 12.70 O ATOM 811 CB PHE B 82 -32.079 -4.037 3.121 1.00 13.07 C ATOM 812 CG PHE B 82 -32.762 -4.159 4.449 1.00 12.88 C ATOM 813 CD1 PHE B 82 -33.291 -3.053 5.084 1.00 13.42 C ATOM 814 CD2 PHE B 82 -32.820 -5.379 5.089 1.00 13.35 C ATOM 815 CE1 PHE B 82 -33.914 -3.170 6.312 1.00 12.83 C ATOM 816 CE2 PHE B 82 -33.433 -5.515 6.333 1.00 13.15 C ATOM 817 CZ PHE B 82 -33.978 -4.404 6.949 1.00 13.25 C ATOM 818 H PHE B 82 -29.847 -4.431 1.467 1.00 0.00 H ATOM 819 N LYS B 83 -29.290 -3.564 5.194 1.00 13.66 N ATOM 820 CA LYS B 83 -28.401 -4.191 6.149 1.00 14.40 C ATOM 821 C LYS B 83 -27.357 -5.053 5.453 1.00 14.94 C ATOM 822 O LYS B 83 -27.039 -6.155 5.850 1.00 16.81 O ATOM 823 CB LYS B 83 -29.188 -4.991 7.193 1.00 14.65 C ATOM 824 CG LYS B 83 -30.173 -4.166 7.999 1.00 13.72 C ATOM 825 CD LYS B 83 -30.736 -4.984 9.140 1.00 14.22 C ATOM 826 CE LYS B 83 -31.609 -4.147 10.018 1.00 15.18 C ATOM 827 NZ LYS B 83 -32.059 -4.949 11.188 1.00 17.14 N ATOM 828 HZ1 LYS B 83 -32.595 -5.775 10.855 1.00 0.00 H ATOM 829 HZ2 LYS B 83 -31.229 -5.267 11.728 1.00 0.00 H ATOM 830 HZ3 LYS B 83 -32.666 -4.363 11.796 1.00 0.00 H ATOM 831 H LYS B 83 -29.518 -2.555 5.302 1.00 0.00 H ATOM 832 N GLY B 84 -26.794 -4.491 4.385 1.00 15.34 N ATOM 833 CA GLY B 84 -25.709 -5.132 3.673 1.00 15.58 C ATOM 834 C GLY B 84 -26.099 -6.139 2.615 1.00 16.16 C ATOM 835 O GLY B 84 -25.223 -6.671 1.929 1.00 18.29 O ATOM 836 H GLY B 84 -27.143 -3.569 4.054 1.00 0.00 H ATOM 837 N GLN B 85 -27.388 -6.398 2.470 1.00 15.37 N ATOM 838 CA GLN B 85 -27.862 -7.363 1.480 1.00 15.56 C ATOM 839 C GLN B 85 -28.479 -6.658 0.300 1.00 15.28 C ATOM 840 O GLN B 85 -29.361 -5.827 0.460 1.00 14.51 O ATOM 841 CB GLN B 85 -28.916 -8.241 2.136 1.00 17.07 C ATOM 842 CG GLN B 85 -29.517 -9.283 1.209 1.00 18.55 C ATOM 843 CD GLN B 85 -30.456 -10.211 1.918 1.00 21.21 C ATOM 844 OE1 GLN B 85 -30.516 -10.274 3.138 1.00 24.19 O ATOM 845 NE2 GLN B 85 -31.197 -10.928 1.153 1.00 21.16 N ATOM 846 HE22 GLN B 85 -31.114 -10.843 0.120 1.00 0.00 H ATOM 847 HE21 GLN B 85 -31.881 -11.594 1.566 1.00 0.00 H ATOM 848 H GLN B 85 -28.078 -5.905 3.072 1.00 0.00 H ATOM 849 N CYS B 86 -28.063 -7.047 -0.910 1.00 16.17 N ATOM 850 CA CYS B 86 -28.646 -6.455 -2.093 1.00 16.30 C ATOM 851 C CYS B 86 -30.047 -7.003 -2.325 1.00 16.11 C ATOM 852 O CYS B 86 -30.218 -8.218 -2.544 1.00 18.11 O ATOM 853 CB CYS B 86 -27.776 -6.735 -3.309 1.00 16.27 C ATOM 854 SG CYS B 86 -28.400 -5.935 -4.803 1.00 18.65 S ATOM 855 H CYS B 86 -27.323 -7.772 -1.000 1.00 0.00 H ATOM 856 N LEU B 87 -31.035 -6.132 -2.315 1.00 16.04 N ATOM 857 CA LEU B 87 -32.427 -6.515 -2.580 1.00 17.45 C ATOM 858 C LEU B 87 -32.843 -6.304 -4.018 1.00 18.40 C ATOM 859 O LEU B 87 -33.811 -6.936 -4.475 1.00 19.03 O ATOM 860 CB LEU B 87 -33.389 -5.725 -1.709 1.00 18.99 C ATOM 861 CG LEU B 87 -33.148 -5.759 -0.205 1.00 20.78 C ATOM 862 CD1 LEU B 87 -34.280 -5.005 0.471 1.00 21.82 C ATOM 863 CD2 LEU B 87 -33.048 -7.177 0.299 1.00 21.26 C ATOM 864 H LEU B 87 -30.821 -5.135 -2.112 1.00 0.00 H ATOM 865 N GLU B 88 -32.170 -5.385 -4.714 1.00 17.48 N ATOM 866 CA GLU B 88 -32.538 -5.071 -6.087 1.00 18.79 C ATOM 867 C GLU B 88 -31.363 -4.445 -6.792 1.00 17.55 C ATOM 868 O GLU B 88 -30.548 -3.763 -6.168 1.00 15.88 O ATOM 869 CB GLU B 88 -33.704 -4.106 -6.093 1.00 22.73 C ATOM 870 CG GLU B 88 -34.686 -4.316 -7.230 1.00 26.54 C ATOM 871 CD GLU B 88 -36.042 -3.744 -6.891 1.00 26.39 C ATOM 872 OE1 GLU B 88 -36.673 -4.192 -5.886 1.00 27.84 O ATOM 873 OE2 GLU B 88 -36.479 -2.819 -7.596 1.00 27.84 O ATOM 874 H GLU B 88 -31.372 -4.887 -4.270 1.00 0.00 H ATOM 875 N GLU B 89 -31.288 -4.682 -8.097 1.00 16.95 N ATOM 876 CA GLU B 89 -30.274 -4.084 -8.959 1.00 18.13 C ATOM 877 C GLU B 89 -30.959 -3.434 -10.149 1.00 17.55 C ATOM 878 O GLU B 89 -31.839 -4.034 -10.792 1.00 19.00 O ATOM 879 CB GLU B 89 -29.237 -5.098 -9.419 1.00 20.97 C ATOM 880 CG GLU B 89 -28.005 -4.442 -10.042 1.00 25.97 C ATOM 881 CD GLU B 89 -26.826 -5.390 -10.230 1.00 28.61 C ATOM 882 OE1 GLU B 89 -27.023 -6.630 -10.195 1.00 34.28 O ATOM 883 OE2 GLU B 89 -25.690 -4.878 -10.418 1.00 33.27 O ATOM 884 H GLU B 89 -31.985 -5.324 -8.525 1.00 0.00 H ATOM 885 N TRP B 90 -30.569 -2.197 -10.433 1.00 16.01 N ATOM 886 CA TRP B 90 -31.121 -1.396 -11.522 1.00 15.17 C ATOM 887 C TRP B 90 -30.005 -1.003 -12.486 1.00 14.93 C ATOM 888 O TRP B 90 -28.853 -0.785 -12.102 1.00 15.14 O ATOM 889 CB TRP B 90 -31.758 -0.123 -11.018 1.00 16.09 C ATOM 890 CG TRP B 90 -32.822 -0.306 -9.998 1.00 16.98 C ATOM 891 CD1 TRP B 90 -33.662 -1.372 -9.843 1.00 18.13 C ATOM 892 CD2 TRP B 90 -33.148 0.626 -8.970 1.00 17.24 C ATOM 893 NE1 TRP B 90 -34.496 -1.148 -8.770 1.00 18.41 N ATOM 894 CE2 TRP B 90 -34.212 0.077 -8.227 1.00 17.67 C ATOM 895 CE3 TRP B 90 -32.649 1.878 -8.615 1.00 17.34 C ATOM 896 CZ2 TRP B 90 -34.774 0.743 -7.128 1.00 17.85 C ATOM 897 CZ3 TRP B 90 -33.222 2.547 -7.536 1.00 18.09 C ATOM 898 CH2 TRP B 90 -34.265 1.967 -6.805 1.00 18.06 C ATOM 899 HE1 TRP B 90 -35.226 -1.805 -8.427 1.00 0.00 H ATOM 900 H TRP B 90 -29.825 -1.773 -9.844 1.00 0.00 H ATOM 901 N PHE B 91 -30.380 -0.912 -13.756 1.00 14.94 N ATOM 902 CA PHE B 91 -29.472 -0.509 -14.833 1.00 15.14 C ATOM 903 C PHE B 91 -30.144 0.566 -15.646 1.00 15.40 C ATOM 904 O PHE B 91 -31.293 0.411 -16.037 1.00 16.70 O ATOM 905 CB PHE B 91 -29.186 -1.718 -15.727 1.00 15.97 C ATOM 906 CG PHE B 91 -28.565 -2.850 -14.984 1.00 17.52 C ATOM 907 CD1 PHE B 91 -29.366 -3.782 -14.337 1.00 19.56 C ATOM 908 CD2 PHE B 91 -27.195 -2.973 -14.871 1.00 18.56 C ATOM 909 CE1 PHE B 91 -28.795 -4.809 -13.616 1.00 20.08 C ATOM 910 CE2 PHE B 91 -26.617 -4.002 -14.158 1.00 19.97 C ATOM 911 CZ PHE B 91 -27.425 -4.928 -13.523 1.00 20.20 C ATOM 912 H PHE B 91 -31.366 -1.138 -13.998 1.00 0.00 H ATOM 913 N PHE B 92 -29.433 1.658 -15.915 1.00 15.20 N ATOM 914 CA PHE B 92 -29.956 2.764 -16.703 1.00 15.35 C ATOM 915 C PHE B 92 -28.881 3.246 -17.677 1.00 15.87 C ATOM 916 O PHE B 92 -27.717 3.309 -17.328 1.00 16.18 O ATOM 917 CB PHE B 92 -30.362 3.946 -15.827 1.00 16.40 C ATOM 918 CG PHE B 92 -31.352 3.596 -14.763 1.00 17.13 C ATOM 919 CD1 PHE B 92 -32.692 3.531 -15.036 1.00 18.07 C ATOM 920 CD2 PHE B 92 -30.915 3.356 -13.471 1.00 18.06 C ATOM 921 CE1 PHE B 92 -33.605 3.196 -14.024 1.00 19.25 C ATOM 922 CE2 PHE B 92 -31.807 3.026 -12.473 1.00 19.86 C ATOM 923 CZ PHE B 92 -33.141 2.967 -12.743 1.00 18.94 C ATOM 924 H PHE B 92 -28.463 1.724 -15.547 1.00 0.00 H ATOM 925 N GLU B 93 -29.285 3.578 -18.900 1.00 16.81 N ATOM 926 CA GLU B 93 -28.326 4.025 -19.927 1.00 18.34 C ATOM 927 C GLU B 93 -28.737 5.392 -20.431 1.00 17.82 C ATOM 928 O GLU B 93 -29.907 5.642 -20.720 1.00 20.09 O ATOM 929 CB GLU B 93 -28.267 3.016 -21.078 1.00 21.76 C ATOM 930 CG GLU B 93 -27.231 3.346 -22.154 1.00 26.69 C ATOM 931 CD GLU B 93 -27.162 2.294 -23.248 1.00 31.97 C ATOM 932 OE1 GLU B 93 -26.676 2.620 -24.357 1.00 37.26 O ATOM 933 OE2 GLU B 93 -27.590 1.148 -23.004 1.00 37.07 O ATOM 934 H GLU B 93 -30.296 3.521 -19.136 1.00 0.00 H ATOM 935 N PHE B 94 -27.755 6.298 -20.508 1.00 16.44 N ATOM 936 CA PHE B 94 -27.927 7.605 -21.113 1.00 16.78 C ATOM 937 C PHE B 94 -27.395 7.601 -22.547 1.00 17.12 C ATOM 938 O PHE B 94 -28.075 8.108 -23.445 1.00 18.61 O ATOM 939 CB PHE B 94 -27.209 8.701 -20.304 1.00 15.98 C ATOM 940 CG PHE B 94 -27.413 10.073 -20.867 1.00 15.53 C ATOM 941 CD1 PHE B 94 -28.544 10.798 -20.554 1.00 16.12 C ATOM 942 CD2 PHE B 94 -26.494 10.621 -21.761 1.00 15.65 C ATOM 943 CE1 PHE B 94 -28.763 12.063 -21.088 1.00 16.99 C ATOM 944 CE2 PHE B 94 -26.702 11.875 -22.302 1.00 16.03 C ATOM 945 CZ PHE B 94 -27.833 12.599 -21.979 1.00 16.31 C ATOM 946 H PHE B 94 -26.824 6.053 -20.115 1.00 0.00 H ATOM 947 N GLY B 95 -26.207 7.049 -22.755 1.00 16.80 N ATOM 948 CA GLY B 95 -25.598 6.999 -24.089 1.00 17.00 C ATOM 949 C GLY B 95 -24.576 8.097 -24.279 1.00 16.79 C ATOM 950 O GLY B 95 -23.803 8.414 -23.388 1.00 15.80 O ATOM 951 H GLY B 95 -25.692 6.640 -21.949 1.00 0.00 H ATOM 952 N PHE B 96 -24.552 8.674 -25.475 1.00 16.06 N ATOM 953 CA PHE B 96 -23.531 9.631 -25.844 1.00 15.84 C ATOM 954 C PHE B 96 -23.695 10.952 -25.105 1.00 14.55 C ATOM 955 O PHE B 96 -24.785 11.474 -24.999 1.00 15.58 O ATOM 956 CB PHE B 96 -23.608 9.901 -27.366 1.00 16.14 C ATOM 957 CG PHE B 96 -22.482 10.746 -27.864 1.00 16.76 C ATOM 958 CD1 PHE B 96 -21.232 10.185 -28.016 1.00 18.20 C ATOM 959 CD2 PHE B 96 -22.641 12.083 -28.106 1.00 17.79 C ATOM 960 CE1 PHE B 96 -20.160 10.940 -28.455 1.00 19.28 C ATOM 961 CE2 PHE B 96 -21.563 12.846 -28.567 1.00 18.63 C ATOM 962 CZ PHE B 96 -20.334 12.263 -28.687 1.00 17.68 C ATOM 963 H PHE B 96 -25.289 8.431 -26.167 1.00 0.00 H ATOM 964 N VAL B 97 -22.561 11.470 -24.615 1.00 13.76 N ATOM 965 CA VAL B 97 -22.484 12.740 -23.932 1.00 13.42 C ATOM 966 C VAL B 97 -21.510 13.651 -24.677 1.00 13.89 C ATOM 967 O VAL B 97 -20.321 13.322 -24.847 1.00 13.49 O ATOM 968 CB VAL B 97 -22.027 12.559 -22.458 1.00 13.84 C ATOM 969 CG1 VAL B 97 -21.905 13.909 -21.776 1.00 14.14 C ATOM 970 CG2 VAL B 97 -22.999 11.634 -21.711 1.00 14.05 C ATOM 971 H VAL B 97 -21.683 10.925 -24.734 1.00 0.00 H ATOM 972 N ILE B 98 -22.048 14.772 -25.122 1.00 14.05 N ATOM 973 CA ILE B 98 -21.266 15.793 -25.814 1.00 14.69 C ATOM 974 C ILE B 98 -20.307 16.446 -24.815 1.00 14.62 C ATOM 975 O ILE B 98 -20.703 16.780 -23.699 1.00 14.69 O ATOM 976 CB ILE B 98 -22.228 16.820 -26.440 1.00 16.25 C ATOM 977 CG1 ILE B 98 -22.883 16.188 -27.666 1.00 18.97 C ATOM 978 CG2 ILE B 98 -21.545 18.131 -26.794 1.00 16.71 C ATOM 979 CD1 ILE B 98 -23.941 17.042 -28.305 1.00 21.31 C ATOM 980 H ILE B 98 -23.065 14.933 -24.974 1.00 0.00 H ATOM 981 N PRO B 99 -19.043 16.646 -25.180 1.00 13.91 N ATOM 982 CA PRO B 99 -18.145 17.327 -24.251 1.00 14.30 C ATOM 983 C PRO B 99 -18.631 18.738 -23.934 1.00 15.28 C ATOM 984 O PRO B 99 -19.065 19.464 -24.834 1.00 15.88 O ATOM 985 CB PRO B 99 -16.798 17.360 -25.011 1.00 13.89 C ATOM 986 CG PRO B 99 -17.175 17.173 -26.456 1.00 14.27 C ATOM 987 CD PRO B 99 -18.384 16.299 -26.456 1.00 14.24 C ATOM 988 N ASN B 100 -18.546 19.124 -22.659 1.00 15.05 N ATOM 989 CA ASN B 100 -18.968 20.427 -22.146 1.00 16.20 C ATOM 990 C ASN B 100 -20.466 20.662 -22.273 1.00 17.42 C ATOM 991 O ASN B 100 -20.914 21.807 -22.400 1.00 21.83 O ATOM 992 CB ASN B 100 -18.157 21.560 -22.783 1.00 17.04 C ATOM 993 CG ASN B 100 -16.696 21.424 -22.502 1.00 18.69 C ATOM 994 OD1 ASN B 100 -16.269 21.516 -21.356 1.00 21.30 O ATOM 995 ND2 ASN B 100 -15.916 21.155 -23.535 1.00 19.11 N ATOM 996 HD22 ASN B 100 -16.323 21.086 -24.490 1.00 0.00 H ATOM 997 HD21 ASN B 100 -14.896 21.012 -23.393 1.00 0.00 H ATOM 998 H ASN B 100 -18.149 18.446 -21.978 1.00 0.00 H ATOM 999 N SER B 101 -21.239 19.594 -22.176 1.00 16.36 N ATOM 1000 CA SER B 101 -22.682 19.674 -22.195 1.00 16.48 C ATOM 1001 C SER B 101 -23.308 19.572 -20.805 1.00 16.61 C ATOM 1002 O SER B 101 -22.709 19.050 -19.854 1.00 16.77 O ATOM 1003 CB SER B 101 -23.261 18.599 -23.092 1.00 16.89 C ATOM 1004 OG SER B 101 -23.034 17.296 -22.600 1.00 16.82 O ATOM 1005 HG SER B 101 -22.060 17.137 -22.527 1.00 0.00 H ATOM 1006 H SER B 101 -20.791 18.660 -22.082 1.00 0.00 H ATOM 1007 N THR B 102 -24.534 20.060 -20.722 1.00 16.65 N ATOM 1008 CA THR B 102 -25.411 19.874 -19.581 1.00 17.03 C ATOM 1009 C THR B 102 -26.646 19.167 -20.101 1.00 17.45 C ATOM 1010 O THR B 102 -27.177 19.515 -21.157 1.00 18.53 O ATOM 1011 CB THR B 102 -25.749 21.211 -18.913 1.00 17.75 C ATOM 1012 OG1 THR B 102 -24.550 21.810 -18.432 1.00 19.14 O ATOM 1013 CG2 THR B 102 -26.714 21.019 -17.755 1.00 18.55 C ATOM 1014 HG1 THR B 102 -23.932 21.963 -19.190 1.00 0.00 H ATOM 1015 H THR B 102 -24.893 20.613 -21.526 1.00 0.00 H ATOM 1016 N ASN B 103 -27.100 18.144 -19.381 1.00 16.37 N ATOM 1017 CA ASN B 103 -28.078 17.175 -19.871 1.00 16.77 C ATOM 1018 C ASN B 103 -29.037 16.784 -18.772 1.00 18.05 C ATOM 1019 O ASN B 103 -28.612 16.633 -17.630 1.00 16.94 O ATOM 1020 CB ASN B 103 -27.389 15.890 -20.342 1.00 17.99 C ATOM 1021 CG ASN B 103 -26.249 16.142 -21.302 1.00 19.96 C ATOM 1022 OD1 ASN B 103 -26.470 16.151 -22.492 1.00 22.78 O ATOM 1023 ND2 ASN B 103 -25.051 16.333 -20.791 1.00 20.75 N ATOM 1024 HD22 ASN B 103 -24.917 16.315 -19.760 1.00 0.00 H ATOM 1025 HD21 ASN B 103 -24.239 16.502 -21.418 1.00 0.00 H ATOM 1026 H ASN B 103 -26.738 18.027 -18.413 1.00 0.00 H ATOM 1027 N THR B 104 -30.310 16.628 -19.117 1.00 18.41 N ATOM 1028 CA THR B 104 -31.308 16.071 -18.203 1.00 19.21 C ATOM 1029 C THR B 104 -31.632 14.661 -18.629 1.00 20.35 C ATOM 1030 O THR B 104 -31.966 14.380 -19.780 1.00 21.72 O ATOM 1031 CB THR B 104 -32.573 16.932 -18.165 1.00 19.43 C ATOM 1032 OG1 THR B 104 -32.245 18.221 -17.658 1.00 21.07 O ATOM 1033 CG2 THR B 104 -33.628 16.302 -17.263 1.00 21.73 C ATOM 1034 HG1 THR B 104 -33.061 18.781 -17.632 1.00 0.00 H ATOM 1035 H THR B 104 -30.609 16.912 -20.072 1.00 0.00 H ATOM 1036 N TRP B 105 -31.488 13.749 -17.685 1.00 20.30 N ATOM 1037 CA TRP B 105 -31.680 12.345 -17.928 1.00 20.94 C ATOM 1038 C TRP B 105 -32.891 11.859 -17.149 1.00 21.50 C ATOM 1039 O TRP B 105 -32.897 11.931 -15.923 1.00 19.11 O ATOM 1040 CB TRP B 105 -30.442 11.612 -17.484 1.00 21.46 C ATOM 1041 CG TRP B 105 -30.452 10.177 -17.721 1.00 22.59 C ATOM 1042 CD1 TRP B 105 -31.396 9.451 -18.392 1.00 23.26 C ATOM 1043 CD2 TRP B 105 -29.451 9.268 -17.319 1.00 22.40 C ATOM 1044 NE1 TRP B 105 -31.040 8.133 -18.426 1.00 24.96 N ATOM 1045 CE2 TRP B 105 -29.864 7.978 -17.747 1.00 21.79 C ATOM 1046 CE3 TRP B 105 -28.242 9.400 -16.643 1.00 22.56 C ATOM 1047 CZ2 TRP B 105 -29.094 6.858 -17.541 1.00 23.67 C ATOM 1048 CZ3 TRP B 105 -27.491 8.278 -16.418 1.00 24.67 C ATOM 1049 CH2 TRP B 105 -27.921 7.013 -16.874 1.00 21.81 C ATOM 1050 HE1 TRP B 105 -31.575 7.373 -18.892 1.00 0.00 H ATOM 1051 H TRP B 105 -31.225 14.059 -16.728 1.00 0.00 H ATOM 1052 N GLN B 106 -33.890 11.360 -17.841 1.00 22.57 N ATOM 1053 CA GLN B 106 -35.097 10.831 -17.235 1.00 24.78 C ATOM 1054 C GLN B 106 -35.063 9.313 -17.234 1.00 25.04 C ATOM 1055 O GLN B 106 -34.758 8.709 -18.221 1.00 24.99 O ATOM 1056 CB GLN B 106 -36.354 11.353 -17.943 1.00 20.00 C ATOM 1057 H GLN B 106 -33.811 11.343 -18.878 1.00 0.00 H ATOM 1058 N SER B 107 -35.351 8.717 -16.080 1.00 22.47 N ATOM 1059 CA SER B 107 -35.402 7.279 -15.922 1.00 21.99 C ATOM 1060 C SER B 107 -36.620 6.852 -15.116 1.00 20.76 C ATOM 1061 O SER B 107 -37.090 7.588 -14.267 1.00 21.71 O ATOM 1062 CB SER B 107 -34.160 6.769 -15.215 1.00 22.35 C ATOM 1063 OG SER B 107 -33.021 7.013 -16.025 1.00 23.77 O ATOM 1064 HG SER B 107 -33.126 6.543 -16.890 1.00 0.00 H ATOM 1065 H SER B 107 -35.549 9.313 -15.251 1.00 0.00 H ATOM 1066 N LEU B 108 -37.057 5.627 -15.366 1.00 20.72 N ATOM 1067 CA LEU B 108 -38.206 5.023 -14.684 1.00 21.93 C ATOM 1068 C LEU B 108 -37.749 3.877 -13.791 1.00 20.89 C ATOM 1069 O LEU B 108 -37.125 2.921 -14.246 1.00 23.93 O ATOM 1070 CB LEU B 108 -39.176 4.479 -15.724 1.00 23.14 C ATOM 1071 CG LEU B 108 -40.517 3.983 -15.183 1.00 25.12 C ATOM 1072 CD1 LEU B 108 -41.283 5.124 -14.537 1.00 25.10 C ATOM 1073 CD2 LEU B 108 -41.297 3.355 -16.331 1.00 25.95 C ATOM 1074 H LEU B 108 -36.559 5.064 -16.084 1.00 0.00 H ATOM 1075 N ILE B 109 -38.085 3.987 -12.509 1.00 22.26 N ATOM 1076 CA ILE B 109 -37.815 2.943 -11.541 1.00 24.31 C ATOM 1077 C ILE B 109 -39.140 2.241 -11.256 1.00 27.31 C ATOM 1078 O ILE B 109 -40.024 2.822 -10.625 1.00 27.11 O ATOM 1079 CB ILE B 109 -37.257 3.516 -10.233 1.00 25.86 C ATOM 1080 CG1 ILE B 109 -36.038 4.405 -10.500 1.00 26.04 C ATOM 1081 CG2 ILE B 109 -36.900 2.369 -9.295 1.00 26.73 C ATOM 1082 CD1 ILE B 109 -35.634 5.243 -9.303 1.00 26.97 C ATOM 1083 H ILE B 109 -38.560 4.855 -12.189 1.00 0.00 H ATOM 1084 N GLU B 110 -39.243 1.026 -11.734 1.00 32.76 N ATOM 1085 CA GLU B 110 -40.469 0.247 -11.664 1.00 37.16 C ATOM 1086 C GLU B 110 -40.343 -0.847 -10.679 1.00 40.13 C ATOM 1087 O GLU B 110 -39.311 -1.452 -10.535 1.00 42.30 O ATOM 1088 CB GLU B 110 -40.771 -0.371 -13.002 1.00 41.54 C ATOM 1089 CG GLU B 110 -41.277 0.635 -13.978 1.00 44.80 C ATOM 1090 CD GLU B 110 -42.124 0.033 -15.033 1.00 48.80 C ATOM 1091 OE1 GLU B 110 -41.549 -0.469 -15.986 1.00 54.03 O ATOM 1092 OE2 GLU B 110 -43.341 0.086 -14.904 1.00 51.82 O ATOM 1093 H GLU B 110 -38.409 0.598 -12.185 1.00 0.00 H ATOM 1094 N ALA B 111 -41.428 -1.100 -9.977 1.00 40.50 N ATOM 1095 CA ALA B 111 -41.422 -2.167 -9.004 1.00 42.07 C ATOM 1096 C ALA B 111 -41.095 -3.498 -9.640 1.00 42.92 C ATOM 1097 O ALA B 111 -41.683 -3.855 -10.625 1.00 43.60 O ATOM 1098 CB ALA B 111 -42.755 -2.236 -8.306 1.00 42.26 C ATOM 1099 H ALA B 111 -42.287 -0.533 -10.123 1.00 0.00 H ATOM 1100 N ALA B 112 -40.166 -4.230 -9.062 1.00 43.69 N ATOM 1101 CA ALA B 112 -40.003 -5.605 -9.431 1.00 46.28 C ATOM 1102 C ALA B 112 -41.160 -6.413 -8.921 1.00 48.88 C ATOM 1103 O ALA B 112 -41.597 -6.257 -7.808 1.00 45.64 O ATOM 1104 CB ALA B 112 -38.681 -6.165 -8.948 1.00 46.50 C ATOM 1105 H ALA B 112 -39.550 -3.810 -8.337 1.00 0.00 H ATOM 1106 N PRO B 113 -41.720 -7.265 -9.873 1.00 53.45 N ATOM 1107 CA PRO B 113 -42.594 -8.282 -9.259 1.00 55.71 C ATOM 1108 C PRO B 113 -41.613 -9.273 -8.613 1.00 55.83 C ATOM 1109 O PRO B 113 -40.433 -9.242 -8.845 1.00 61.31 O ATOM 1110 CB PRO B 113 -43.338 -8.856 -10.457 1.00 57.06 C ATOM 1111 CG PRO B 113 -42.299 -8.866 -11.529 1.00 55.73 C ATOM 1112 CD PRO B 113 -41.676 -7.547 -11.399 1.00 55.04 C ATOM 1113 N GLU B 114 -42.049 -10.189 -7.823 1.00 55.76 N ATOM 1114 CA GLU B 114 -43.203 -10.105 -7.053 1.00 53.23 C ATOM 1115 C GLU B 114 -42.592 -9.674 -5.674 1.00 45.81 C ATOM 1116 O GLU B 114 -42.934 -10.192 -4.660 1.00 48.35 O ATOM 1117 CB GLU B 114 -43.978 -11.422 -6.979 1.00 20.00 C ATOM 1118 H GLU B 114 -41.492 -11.065 -7.755 1.00 0.00 H ATOM 1119 N SER B 115 -41.639 -8.768 -5.699 1.00 39.45 N ATOM 1120 CA SER B 115 -41.221 -7.989 -4.427 1.00 35.82 C ATOM 1121 C SER B 115 -42.290 -7.227 -3.580 1.00 32.81 C ATOM 1122 O SER B 115 -43.159 -6.677 -4.213 1.00 32.90 O ATOM 1123 CB SER B 115 -40.057 -7.051 -4.742 1.00 35.94 C ATOM 1124 OG SER B 115 -40.528 -5.825 -5.267 1.00 37.05 O ATOM 1125 HG SER B 115 -39.758 -5.234 -5.463 1.00 0.00 H ATOM 1126 H SER B 115 -41.153 -8.569 -6.597 1.00 0.00 H ATOM 1127 N GLN B 116 -42.203 -7.224 -2.275 1.00 25.96 N ATOM 1128 CA GLN B 116 -43.068 -6.432 -1.468 1.00 23.93 C ATOM 1129 C GLN B 116 -42.205 -5.602 -0.544 1.00 20.87 C ATOM 1130 O GLN B 116 -41.244 -6.074 -0.032 1.00 21.52 O ATOM 1131 CB GLN B 116 -43.978 -7.320 -0.667 1.00 26.47 C ATOM 1132 CG GLN B 116 -44.723 -8.298 -1.545 1.00 31.19 C ATOM 1133 CD GLN B 116 -44.953 -9.588 -0.842 1.00 36.03 C ATOM 1134 OE1 GLN B 116 -44.025 -10.315 -0.551 1.00 40.85 O ATOM 1135 NE2 GLN B 116 -46.192 -9.873 -0.556 1.00 39.22 N ATOM 1136 HE22 GLN B 116 -46.952 -9.217 -0.827 1.00 0.00 H ATOM 1137 HE21 GLN B 116 -46.421 -10.756 -0.057 1.00 0.00 H ATOM 1138 H GLN B 116 -41.483 -7.816 -1.814 1.00 0.00 H ATOM 1139 N MET B 117 -42.567 -4.356 -0.382 1.00 18.91 N ATOM 1140 CA MET B 117 -41.778 -3.447 0.417 1.00 18.00 C ATOM 1141 C MET B 117 -41.939 -3.777 1.886 1.00 16.83 C ATOM 1142 O MET B 117 -43.005 -4.064 2.345 1.00 18.41 O ATOM 1143 CB MET B 117 -42.210 -2.018 0.159 1.00 19.81 C ATOM 1144 CG MET B 117 -42.050 -1.528 -1.266 1.00 21.19 C ATOM 1145 SD MET B 117 -40.379 -1.565 -1.847 1.00 24.51 S ATOM 1146 CE MET B 117 -40.484 -3.052 -2.795 1.00 26.07 C ATOM 1147 H MET B 117 -43.438 -4.014 -0.836 1.00 0.00 H ATOM 1148 N MET B 118 -40.834 -3.707 2.598 1.00 15.18 N ATOM 1149 CA MET B 118 -40.887 -3.697 4.066 1.00 14.78 C ATOM 1150 C MET B 118 -41.480 -2.367 4.531 1.00 14.96 C ATOM 1151 O MET B 118 -41.492 -1.385 3.792 1.00 15.07 O ATOM 1152 CB MET B 118 -39.486 -3.889 4.652 1.00 14.65 C ATOM 1153 CG MET B 118 -39.044 -5.349 4.725 1.00 14.72 C ATOM 1154 SD MET B 118 -37.378 -5.590 5.353 1.00 15.64 S ATOM 1155 CE MET B 118 -36.487 -5.382 3.818 1.00 14.92 C ATOM 1156 H MET B 118 -39.914 -3.658 2.116 1.00 0.00 H ATOM 1157 N PRO B 119 -41.937 -2.308 5.793 1.00 14.54 N ATOM 1158 CA PRO B 119 -42.396 -1.039 6.345 1.00 14.37 C ATOM 1159 C PRO B 119 -41.311 0.030 6.366 1.00 13.11 C ATOM 1160 O PRO B 119 -40.147 -0.268 6.614 1.00 12.80 O ATOM 1161 CB PRO B 119 -42.792 -1.394 7.779 1.00 15.41 C ATOM 1162 CG PRO B 119 -42.994 -2.869 7.759 1.00 16.35 C ATOM 1163 CD PRO B 119 -42.008 -3.398 6.776 1.00 15.65 C ATOM 1164 N ALA B 120 -41.707 1.271 6.130 1.00 12.79 N ATOM 1165 CA ALA B 120 -40.815 2.409 6.217 1.00 13.17 C ATOM 1166 C ALA B 120 -40.044 2.414 7.532 1.00 13.23 C ATOM 1167 O ALA B 120 -38.870 2.744 7.568 1.00 13.00 O ATOM 1168 CB ALA B 120 -41.585 3.708 6.089 1.00 13.84 C ATOM 1169 H ALA B 120 -42.701 1.436 5.871 1.00 0.00 H ATOM 1170 N SER B 121 -40.722 2.067 8.630 1.00 13.47 N ATOM 1171 CA SER B 121 -40.070 2.118 9.953 1.00 13.24 C ATOM 1172 C SER B 121 -38.917 1.134 10.061 1.00 12.38 C ATOM 1173 O SER B 121 -37.971 1.386 10.777 1.00 12.97 O ATOM 1174 CB SER B 121 -41.083 1.863 11.068 1.00 13.19 C ATOM 1175 OG SER B 121 -41.628 0.576 11.037 1.00 14.25 O ATOM 1176 HG SER B 121 -40.903 -0.091 11.134 1.00 0.00 H ATOM 1177 H SER B 121 -41.713 1.760 8.552 1.00 0.00 H ATOM 1178 N VAL B 122 -39.008 0.018 9.360 1.00 11.90 N ATOM 1179 CA VAL B 122 -37.948 -0.977 9.307 1.00 11.48 C ATOM 1180 C VAL B 122 -36.800 -0.555 8.388 1.00 11.77 C ATOM 1181 O VAL B 122 -35.628 -0.719 8.699 1.00 11.76 O ATOM 1182 CB VAL B 122 -38.514 -2.351 8.865 1.00 12.03 C ATOM 1183 CG1 VAL B 122 -37.403 -3.352 8.614 1.00 12.57 C ATOM 1184 CG2 VAL B 122 -39.519 -2.875 9.905 1.00 12.90 C ATOM 1185 H VAL B 122 -39.879 -0.158 8.820 1.00 0.00 H ATOM 1186 N LEU B 123 -37.176 0.002 7.247 1.00 11.06 N ATOM 1187 CA LEU B 123 -36.220 0.376 6.231 1.00 11.65 C ATOM 1188 C LEU B 123 -35.381 1.588 6.594 1.00 11.53 C ATOM 1189 O LEU B 123 -34.215 1.711 6.199 1.00 11.69 O ATOM 1190 CB LEU B 123 -36.931 0.676 4.925 1.00 12.19 C ATOM 1191 CG LEU B 123 -37.523 -0.519 4.215 1.00 12.62 C ATOM 1192 CD1 LEU B 123 -38.395 -0.076 3.041 1.00 13.05 C ATOM 1193 CD2 LEU B 123 -36.446 -1.493 3.753 1.00 13.01 C ATOM 1194 H LEU B 123 -38.187 0.175 7.078 1.00 0.00 H ATOM 1195 N THR B 124 -35.976 2.526 7.333 1.00 11.15 N ATOM 1196 CA THR B 124 -35.383 3.835 7.472 1.00 11.35 C ATOM 1197 C THR B 124 -34.005 3.784 8.142 1.00 11.27 C ATOM 1198 O THR B 124 -33.843 3.149 9.184 1.00 11.38 O ATOM 1199 CB THR B 124 -36.340 4.824 8.165 1.00 11.40 C ATOM 1200 OG1 THR B 124 -35.793 6.130 7.989 1.00 11.97 O ATOM 1201 CG2 THR B 124 -36.550 4.508 9.676 1.00 11.76 C ATOM 1202 HG1 THR B 124 -36.384 6.795 8.423 1.00 0.00 H ATOM 1203 H THR B 124 -36.874 2.313 7.813 1.00 0.00 H ATOM 1204 N GLY B 125 -32.992 4.404 7.538 1.00 10.94 N ATOM 1205 CA GLY B 125 -31.618 4.331 8.012 1.00 11.28 C ATOM 1206 C GLY B 125 -30.880 3.061 7.688 1.00 11.12 C ATOM 1207 O GLY B 125 -29.690 2.970 7.954 1.00 12.32 O ATOM 1208 H GLY B 125 -33.193 4.967 6.687 1.00 0.00 H ATOM 1209 N ASN B 126 -31.581 2.063 7.160 1.00 11.20 N ATOM 1210 CA ASN B 126 -31.009 0.744 6.873 1.00 11.55 C ATOM 1211 C ASN B 126 -30.840 0.449 5.398 1.00 11.80 C ATOM 1212 O ASN B 126 -30.353 -0.630 5.056 1.00 12.70 O ATOM 1213 CB ASN B 126 -31.864 -0.360 7.513 1.00 11.74 C ATOM 1214 CG ASN B 126 -31.744 -0.373 9.004 1.00 12.47 C ATOM 1215 OD1 ASN B 126 -30.653 -0.257 9.551 1.00 13.71 O ATOM 1216 ND2 ASN B 126 -32.870 -0.508 9.682 1.00 12.31 N ATOM 1217 HD22 ASN B 126 -33.774 -0.603 9.176 1.00 0.00 H ATOM 1218 HD21 ASN B 126 -32.853 -0.519 10.722 1.00 0.00 H ATOM 1219 H ASN B 126 -32.584 2.226 6.940 1.00 0.00 H ATOM 1220 N VAL B 127 -31.244 1.401 4.551 1.00 11.76 N ATOM 1221 CA VAL B 127 -31.102 1.270 3.109 1.00 11.86 C ATOM 1222 C VAL B 127 -29.948 2.144 2.638 1.00 11.87 C ATOM 1223 O VAL B 127 -29.875 3.342 2.970 1.00 12.96 O ATOM 1224 CB VAL B 127 -32.384 1.681 2.397 1.00 12.11 C ATOM 1225 CG1 VAL B 127 -32.178 1.766 0.885 1.00 12.52 C ATOM 1226 CG2 VAL B 127 -33.507 0.710 2.720 1.00 12.05 C ATOM 1227 H VAL B 127 -31.675 2.266 4.936 1.00 0.00 H ATOM 1228 N ILE B 128 -29.071 1.522 1.879 1.00 11.84 N ATOM 1229 CA ILE B 128 -27.999 2.212 1.188 1.00 13.02 C ATOM 1230 C ILE B 128 -28.210 1.975 -0.289 1.00 12.38 C ATOM 1231 O ILE B 128 -28.383 0.833 -0.716 1.00 12.05 O ATOM 1232 CB ILE B 128 -26.627 1.672 1.601 1.00 14.52 C ATOM 1233 CG1 ILE B 128 -26.299 2.130 3.033 1.00 16.93 C ATOM 1234 CG2 ILE B 128 -25.549 2.106 0.603 1.00 15.83 C ATOM 1235 CD1 ILE B 128 -25.709 3.521 3.101 1.00 17.90 C ATOM 1236 H ILE B 128 -29.150 0.491 1.770 1.00 0.00 H ATOM 1237 N ILE B 129 -28.176 3.041 -1.062 1.00 12.12 N ATOM 1238 CA ILE B 129 -28.138 2.940 -2.517 1.00 12.20 C ATOM 1239 C ILE B 129 -26.686 3.089 -2.930 1.00 12.41 C ATOM 1240 O ILE B 129 -26.056 4.096 -2.623 1.00 12.94 O ATOM 1241 CB ILE B 129 -28.983 4.005 -3.205 1.00 12.54 C ATOM 1242 CG1 ILE B 129 -30.385 4.106 -2.582 1.00 13.15 C ATOM 1243 CG2 ILE B 129 -29.015 3.728 -4.708 1.00 12.86 C ATOM 1244 CD1 ILE B 129 -31.221 2.841 -2.625 1.00 13.55 C ATOM 1245 H ILE B 129 -28.176 3.983 -0.622 1.00 0.00 H ATOM 1246 N GLU B 130 -26.150 2.087 -3.618 1.00 12.82 N ATOM 1247 CA GLU B 130 -24.800 2.152 -4.167 1.00 13.61 C ATOM 1248 C GLU B 130 -24.933 2.382 -5.653 1.00 13.70 C ATOM 1249 O GLU B 130 -25.535 1.569 -6.361 1.00 13.86 O ATOM 1250 CB GLU B 130 -24.069 0.841 -3.935 1.00 15.30 C ATOM 1251 CG GLU B 130 -22.645 0.841 -4.469 1.00 17.87 C ATOM 1252 CD GLU B 130 -22.106 -0.574 -4.637 1.00 21.26 C ATOM 1253 OE1 GLU B 130 -22.607 -1.358 -5.493 1.00 25.15 O ATOM 1254 OE2 GLU B 130 -21.163 -0.900 -3.900 1.00 25.37 O ATOM 1255 H GLU B 130 -26.713 1.226 -3.771 1.00 0.00 H ATOM 1256 N THR B 131 -24.354 3.474 -6.132 1.00 12.98 N ATOM 1257 CA THR B 131 -24.430 3.889 -7.535 1.00 12.96 C ATOM 1258 C THR B 131 -23.046 3.870 -8.146 1.00 13.41 C ATOM 1259 O THR B 131 -22.097 4.442 -7.622 1.00 13.55 O ATOM 1260 CB THR B 131 -25.034 5.285 -7.646 1.00 13.89 C ATOM 1261 OG1 THR B 131 -26.368 5.274 -7.105 1.00 14.31 O ATOM 1262 CG2 THR B 131 -25.097 5.733 -9.098 1.00 15.01 C ATOM 1263 HG1 THR B 131 -26.335 5.003 -6.154 1.00 0.00 H ATOM 1264 H THR B 131 -23.814 4.071 -5.473 1.00 0.00 H ATOM 1265 N LYS B 132 -22.951 3.181 -9.278 1.00 12.81 N ATOM 1266 CA LYS B 132 -21.752 3.117 -10.095 1.00 13.81 C ATOM 1267 C LYS B 132 -22.020 3.773 -11.448 1.00 13.23 C ATOM 1268 O LYS B 132 -22.966 3.427 -12.152 1.00 12.82 O ATOM 1269 CB LYS B 132 -21.314 1.675 -10.292 1.00 15.36 C ATOM 1270 CG LYS B 132 -20.775 1.044 -9.025 1.00 17.69 C ATOM 1271 CD LYS B 132 -20.258 -0.365 -9.248 1.00 20.67 C ATOM 1272 CE LYS B 132 -19.980 -1.042 -7.919 1.00 25.14 C ATOM 1273 NZ LYS B 132 -19.208 -2.303 -8.045 1.00 28.30 N ATOM 1274 HZ1 LYS B 132 -19.740 -2.977 -8.632 1.00 0.00 H ATOM 1275 HZ2 LYS B 132 -18.290 -2.103 -8.490 1.00 0.00 H ATOM 1276 HZ3 LYS B 132 -19.055 -2.710 -7.100 1.00 0.00 H ATOM 1277 H LYS B 132 -23.788 2.654 -9.599 1.00 0.00 H ATOM 1278 N PHE B 133 -21.271 4.953 -11.857 1.00 13.36 N ATOM 1279 CA PHE B 133 -21.184 5.479 -13.206 1.00 13.56 C ATOM 1280 C PHE B 133 -20.019 4.812 -13.917 1.00 13.12 C ATOM 1281 O PHE B 133 -18.970 4.756 -13.431 1.00 13.70 O ATOM 1282 CB PHE B 133 -20.985 6.987 -13.165 1.00 14.38 C ATOM 1283 CG PHE B 133 -22.152 7.755 -12.554 1.00 15.56 C ATOM 1284 CD1 PHE B 133 -23.271 8.097 -13.284 1.00 15.65 C ATOM 1285 CD2 PHE B 133 -22.112 8.136 -11.272 1.00 16.34 C ATOM 1286 CE1 PHE B 133 -24.294 8.823 -12.741 1.00 16.63 C ATOM 1287 CE2 PHE B 133 -23.142 8.851 -10.702 1.00 16.49 C ATOM 1288 CZ PHE B 133 -24.222 9.195 -11.427 1.00 17.16 C ATOM 1289 H PHE B 133 -20.752 5.465 -11.115 1.00 0.00 H ATOM 1290 N PHE B 134 -20.592 4.582 -15.172 1.00 13.46 N ATOM 1291 CA PHE B 134 -19.707 4.036 -16.195 1.00 13.75 C ATOM 1292 C PHE B 134 -19.767 4.831 -17.489 1.00 13.60 C ATOM 1293 O PHE B 134 -20.808 5.378 -17.838 1.00 13.98 O ATOM 1294 CB PHE B 134 -20.115 2.604 -16.570 1.00 14.21 C ATOM 1295 CG PHE B 134 -19.973 1.568 -15.479 1.00 14.56 C ATOM 1296 CD1 PHE B 134 -21.012 1.352 -14.577 1.00 15.58 C ATOM 1297 CD2 PHE B 134 -18.855 0.754 -15.396 1.00 16.11 C ATOM 1298 CE1 PHE B 134 -20.912 0.374 -13.611 1.00 17.05 C ATOM 1299 CE2 PHE B 134 -18.751 -0.231 -14.417 1.00 17.08 C ATOM 1300 CZ PHE B 134 -19.789 -0.401 -13.525 1.00 18.06 C ATOM 1301 H PHE B 134 -21.593 4.789 -15.365 1.00 0.00 H ATOM 1302 N ASP B 135 -18.642 4.823 -18.212 1.00 15.08 N ATOM 1303 CA ASP B 135 -18.694 5.007 -19.669 1.00 15.85 C ATOM 1304 C ASP B 135 -18.412 3.640 -20.283 1.00 16.03 C ATOM 1305 O ASP B 135 -17.274 3.168 -20.268 1.00 16.70 O ATOM 1306 CB ASP B 135 -17.669 6.022 -20.157 1.00 17.25 C ATOM 1307 CG ASP B 135 -17.745 6.230 -21.658 1.00 18.88 C ATOM 1308 OD1 ASP B 135 -18.596 5.586 -22.310 1.00 19.58 O ATOM 1309 OD2 ASP B 135 -16.950 7.056 -22.167 1.00 21.43 O ATOM 1310 H ASP B 135 -17.725 4.686 -17.740 1.00 0.00 H ATOM 1311 N ASP B 136 -19.464 2.997 -20.760 1.00 17.57 N ATOM 1312 CA ASP B 136 -19.377 1.620 -21.253 1.00 18.99 C ATOM 1313 C ASP B 136 -18.900 0.692 -20.151 1.00 20.35 C ATOM 1314 O ASP B 136 -19.607 0.538 -19.156 1.00 19.61 O ATOM 1315 CB ASP B 136 -18.519 1.537 -22.530 1.00 21.74 C ATOM 1316 CG ASP B 136 -18.658 0.206 -23.247 1.00 25.22 C ATOM 1317 OD1 ASP B 136 -19.734 -0.426 -23.149 1.00 27.68 O ATOM 1318 OD2 ASP B 136 -17.686 -0.195 -23.916 1.00 31.21 O ATOM 1319 H ASP B 136 -20.383 3.484 -20.786 1.00 0.00 H ATOM 1320 N ASP B 137 -17.723 0.086 -20.279 1.00 20.36 N ATOM 1321 CA ASP B 137 -17.229 -0.814 -19.255 1.00 21.62 C ATOM 1322 C ASP B 137 -16.245 -0.138 -18.310 1.00 20.30 C ATOM 1323 O ASP B 137 -15.704 -0.783 -17.417 1.00 22.08 O ATOM 1324 CB ASP B 137 -16.617 -2.081 -19.886 1.00 25.17 C ATOM 1325 CG ASP B 137 -15.414 -1.789 -20.768 1.00 29.49 C ATOM 1326 OD1 ASP B 137 -15.184 -0.618 -21.138 1.00 32.51 O ATOM 1327 OD2 ASP B 137 -14.689 -2.755 -21.101 1.00 35.84 O ATOM 1328 H ASP B 137 -17.147 0.261 -21.127 1.00 0.00 H ATOM 1329 N LEU B 138 -16.046 1.173 -18.474 1.00 19.13 N ATOM 1330 CA LEU B 138 -15.127 1.937 -17.672 1.00 18.73 C ATOM 1331 C LEU B 138 -15.825 2.519 -16.436 1.00 17.08 C ATOM 1332 O LEU B 138 -16.687 3.395 -16.536 1.00 15.73 O ATOM 1333 CB LEU B 138 -14.516 3.051 -18.504 1.00 19.74 C ATOM 1334 CG LEU B 138 -13.468 3.902 -17.801 1.00 20.64 C ATOM 1335 CD1 LEU B 138 -12.272 3.061 -17.381 1.00 22.25 C ATOM 1336 CD2 LEU B 138 -13.045 5.054 -18.716 1.00 21.26 C ATOM 1337 H LEU B 138 -16.581 1.665 -19.217 1.00 0.00 H ATOM 1338 N LEU B 139 -15.410 2.042 -15.266 1.00 17.96 N ATOM 1339 CA LEU B 139 -15.954 2.550 -14.001 1.00 17.34 C ATOM 1340 C LEU B 139 -15.376 3.915 -13.668 1.00 17.76 C ATOM 1341 O LEU B 139 -14.157 4.047 -13.518 1.00 20.77 O ATOM 1342 CB LEU B 139 -15.676 1.561 -12.874 1.00 17.77 C ATOM 1343 CG LEU B 139 -16.214 1.994 -11.494 1.00 17.47 C ATOM 1344 CD1 LEU B 139 -17.723 2.070 -11.457 1.00 16.96 C ATOM 1345 CD2 LEU B 139 -15.654 1.039 -10.460 1.00 18.29 C ATOM 1346 H LEU B 139 -14.687 1.295 -15.247 1.00 0.00 H ATOM 1347 N VAL B 140 -16.246 4.912 -13.606 1.00 15.70 N ATOM 1348 CA VAL B 140 -15.877 6.297 -13.341 1.00 16.66 C ATOM 1349 C VAL B 140 -15.986 6.663 -11.865 1.00 17.93 C ATOM 1350 O VAL B 140 -15.138 7.384 -11.329 1.00 19.27 O ATOM 1351 CB VAL B 140 -16.729 7.244 -14.177 1.00 17.56 C ATOM 1352 CG1 VAL B 140 -16.504 8.706 -13.788 1.00 18.62 C ATOM 1353 CG2 VAL B 140 -16.401 7.003 -15.640 1.00 17.54 C ATOM 1354 H VAL B 140 -17.252 4.694 -13.755 1.00 0.00 H ATOM 1355 N SER B 141 -17.034 6.203 -11.192 1.00 15.96 N ATOM 1356 CA SER B 141 -17.157 6.463 -9.766 1.00 17.08 C ATOM 1357 C SER B 141 -18.160 5.541 -9.125 1.00 16.01 C ATOM 1358 O SER B 141 -19.074 5.025 -9.785 1.00 15.87 O ATOM 1359 CB SER B 141 -17.608 7.875 -9.513 1.00 17.41 C ATOM 1360 OG SER B 141 -18.904 8.105 -9.978 1.00 19.60 O ATOM 1361 HG SER B 141 -19.159 9.043 -9.791 1.00 0.00 H ATOM 1362 H SER B 141 -17.768 5.656 -11.685 1.00 0.00 H ATOM 1363 N THR B 142 -17.985 5.379 -7.818 1.00 14.78 N ATOM 1364 CA THR B 142 -18.879 4.619 -6.967 1.00 15.11 C ATOM 1365 C THR B 142 -19.245 5.509 -5.794 1.00 15.05 C ATOM 1366 O THR B 142 -18.365 6.114 -5.184 1.00 16.91 O ATOM 1367 CB THR B 142 -18.207 3.362 -6.436 1.00 16.19 C ATOM 1368 OG1 THR B 142 -17.690 2.593 -7.541 1.00 17.45 O ATOM 1369 CG2 THR B 142 -19.185 2.494 -5.655 1.00 16.68 C ATOM 1370 HG1 THR B 142 -17.252 1.775 -7.196 1.00 0.00 H ATOM 1371 H THR B 142 -17.155 5.825 -7.378 1.00 0.00 H ATOM 1372 N SER B 143 -20.522 5.596 -5.496 1.00 14.22 N ATOM 1373 CA SER B 143 -20.966 6.461 -4.405 1.00 14.23 C ATOM 1374 C SER B 143 -22.118 5.804 -3.681 1.00 13.41 C ATOM 1375 O SER B 143 -22.717 4.850 -4.171 1.00 12.59 O ATOM 1376 CB SER B 143 -21.343 7.828 -4.934 1.00 16.42 C ATOM 1377 OG SER B 143 -22.359 7.749 -5.873 1.00 17.87 O ATOM 1378 HG SER B 143 -23.160 7.342 -5.457 1.00 0.00 H ATOM 1379 H SER B 143 -21.219 5.047 -6.039 1.00 0.00 H ATOM 1380 N ARG B 144 -22.391 6.305 -2.485 1.00 12.87 N ATOM 1381 CA ARG B 144 -23.380 5.712 -1.582 1.00 13.33 C ATOM 1382 C ARG B 144 -24.246 6.790 -0.966 1.00 12.44 C ATOM 1383 O ARG B 144 -23.734 7.822 -0.530 1.00 13.30 O ATOM 1384 CB ARG B 144 -22.695 4.940 -0.448 1.00 14.75 C ATOM 1385 CG ARG B 144 -21.839 3.762 -0.876 1.00 16.31 C ATOM 1386 CD ARG B 144 -20.944 3.272 0.257 1.00 18.25 C ATOM 1387 NE ARG B 144 -21.631 2.445 1.251 1.00 19.46 N ATOM 1388 CZ ARG B 144 -21.964 2.821 2.485 1.00 20.96 C ATOM 1389 NH1 ARG B 144 -21.711 4.047 2.938 1.00 20.53 N ATOM 1390 NH2 ARG B 144 -22.563 1.947 3.279 1.00 22.42 N ATOM 1391 HE ARG B 144 -21.882 1.476 0.968 1.00 0.00 H ATOM 1392 HH12 ARG B 144 -21.983 4.310 3.907 1.00 0.00 H ATOM 1393 HH11 ARG B 144 -21.241 4.742 2.323 1.00 0.00 H ATOM 1394 HH22 ARG B 144 -22.831 2.221 4.246 1.00 0.00 H ATOM 1395 HH21 ARG B 144 -22.766 0.986 2.936 1.00 0.00 H ATOM 1396 H ARG B 144 -21.881 7.156 -2.174 1.00 0.00 H ATOM 1397 N VAL B 145 -25.360 6.492 -0.889 1.00 11.47 N ATOM 1398 CA VAL B 145 -26.404 7.344 -0.186 1.00 11.28 C ATOM 1399 C VAL B 145 -27.339 6.443 0.862 1.00 11.83 C ATOM 1400 O VAL B 145 -27.937 5.386 0.464 1.00 12.85 O ATOM 1401 CB VAL B 145 -27.392 8.048 -1.147 1.00 11.32 C ATOM 1402 CG1 VAL B 145 -28.448 8.835 -0.370 1.00 10.34 C ATOM 1403 CG2 VAL B 145 -26.680 8.935 -2.137 1.00 11.86 C ATOM 1404 H VAL B 145 -25.663 5.596 -1.322 1.00 0.00 H ATOM 1405 N ARG B 146 -27.368 6.917 2.069 1.00 11.48 N ATOM 1406 CA ARG B 146 -28.226 6.268 3.068 1.00 11.83 C ATOM 1407 C ARG B 146 -29.594 6.934 3.067 1.00 11.27 C ATOM 1408 O ARG B 146 -29.680 8.166 3.080 1.00 12.03 O ATOM 1409 CB ARG B 146 -27.604 6.398 4.454 1.00 12.16 C ATOM 1410 CG ARG B 146 -28.346 5.632 5.539 1.00 13.73 C ATOM 1411 CD ARG B 146 -27.592 5.669 6.859 1.00 15.17 C ATOM 1412 NE ARG B 146 -26.272 5.030 6.791 1.00 17.57 N ATOM 1413 CZ ARG B 146 -26.006 3.721 6.826 1.00 19.61 C ATOM 1414 NH1 ARG B 146 -26.958 2.785 6.964 1.00 21.62 N ATOM 1415 NH2 ARG B 146 -24.739 3.331 6.757 1.00 21.71 N ATOM 1416 HE ARG B 146 -25.454 5.666 6.706 1.00 0.00 H ATOM 1417 HH12 ARG B 146 -26.698 1.778 6.985 1.00 0.00 H ATOM 1418 HH11 ARG B 146 -27.956 3.067 7.049 1.00 0.00 H ATOM 1419 HH22 ARG B 146 -24.505 2.318 6.782 1.00 0.00 H ATOM 1420 HH21 ARG B 146 -23.981 4.038 6.678 1.00 0.00 H ATOM 1421 H ARG B 146 -26.792 7.744 2.325 1.00 0.00 H ATOM 1422 N LEU B 147 -30.658 6.137 3.043 1.00 11.87 N ATOM 1423 CA LEU B 147 -32.010 6.683 2.953 1.00 11.57 C ATOM 1424 C LEU B 147 -32.769 6.603 4.259 1.00 11.79 C ATOM 1425 O LEU B 147 -32.721 5.580 4.958 1.00 12.31 O ATOM 1426 CB LEU B 147 -32.841 5.971 1.875 1.00 12.78 C ATOM 1427 CG LEU B 147 -32.298 6.041 0.440 1.00 14.15 C ATOM 1428 CD1 LEU B 147 -33.321 5.416 -0.507 1.00 14.71 C ATOM 1429 CD2 LEU B 147 -32.001 7.461 0.053 1.00 15.56 C ATOM 1430 H LEU B 147 -30.525 5.107 3.089 1.00 0.00 H ATOM 1431 N PHE B 148 -33.466 7.690 4.539 1.00 12.46 N ATOM 1432 CA PHE B 148 -34.426 7.785 5.639 1.00 12.69 C ATOM 1433 C PHE B 148 -35.787 8.011 5.021 1.00 13.49 C ATOM 1434 O PHE B 148 -35.920 8.768 4.045 1.00 15.12 O ATOM 1435 CB PHE B 148 -34.041 8.920 6.579 1.00 13.43 C ATOM 1436 CG PHE B 148 -32.658 8.774 7.101 1.00 14.15 C ATOM 1437 CD1 PHE B 148 -32.383 7.936 8.142 1.00 13.61 C ATOM 1438 CD2 PHE B 148 -31.602 9.408 6.485 1.00 17.31 C ATOM 1439 CE1 PHE B 148 -31.100 7.744 8.598 1.00 14.38 C ATOM 1440 CE2 PHE B 148 -30.305 9.250 6.950 1.00 18.11 C ATOM 1441 CZ PHE B 148 -30.044 8.408 8.010 1.00 16.07 C ATOM 1442 H PHE B 148 -33.324 8.529 3.941 1.00 0.00 H ATOM 1443 N TYR B 149 -36.794 7.319 5.528 1.00 13.36 N ATOM 1444 CA TYR B 149 -38.168 7.412 5.060 1.00 14.61 C ATOM 1445 C TYR B 149 -38.940 8.186 6.118 1.00 16.31 C ATOM 1446 O TYR B 149 -39.033 7.737 7.272 1.00 16.99 O ATOM 1447 CB TYR B 149 -38.744 6.028 4.808 1.00 14.59 C ATOM 1448 CG TYR B 149 -37.978 5.263 3.755 1.00 14.27 C ATOM 1449 CD1 TYR B 149 -38.287 5.403 2.409 1.00 14.95 C ATOM 1450 CD2 TYR B 149 -36.917 4.451 4.094 1.00 14.31 C ATOM 1451 CE1 TYR B 149 -37.566 4.723 1.442 1.00 15.55 C ATOM 1452 CE2 TYR B 149 -36.188 3.759 3.137 1.00 15.20 C ATOM 1453 CZ TYR B 149 -36.520 3.899 1.805 1.00 15.65 C ATOM 1454 OH TYR B 149 -35.775 3.218 0.861 1.00 16.91 O ATOM 1455 HH TYR B 149 -36.129 3.415 -0.042 1.00 0.00 H ATOM 1456 H TYR B 149 -36.590 6.666 6.312 1.00 0.00 H ATOM 1457 N VAL B 150 -39.517 9.316 5.725 1.00 17.82 N ATOM 1458 CA VAL B 150 -40.013 10.336 6.662 1.00 20.26 C ATOM 1459 C VAL B 150 -41.460 10.726 6.376 1.00 23.51 C ATOM 1460 O VAL B 150 -42.002 10.438 5.316 1.00 22.33 O ATOM 1461 CB VAL B 150 -39.131 11.592 6.604 1.00 21.90 C ATOM 1462 CG1 VAL B 150 -37.662 11.222 6.789 1.00 22.63 C ATOM 1463 CG2 VAL B 150 -39.310 12.334 5.283 1.00 23.76 C ATOM 1464 H VAL B 150 -39.623 9.488 4.705 1.00 0.00 H TER 1465 VAL B 150 HETATM 1466 O HOH 1 -37.412 -9.421 -5.831 1.00 46.43 O HETATM 1467 O HOH 2 -32.849 5.720 -18.171 1.00 32.19 O HETATM 1468 O HOH 3 -24.553 8.083 -4.697 1.00 21.14 O HETATM 1469 O HOH 4 -51.600 16.902 -4.399 1.00 42.93 O HETATM 1470 O HOH 5 -44.872 16.678 -12.358 1.00 31.01 O HETATM 1471 O HOH 6 -36.649 -6.761 -5.051 1.00 47.75 O HETATM 1472 O HOH 7 -26.040 8.557 7.878 1.00 36.17 O HETATM 1473 O HOH 8 -4.207 11.848 -8.801 1.00 18.89 O HETATM 1474 O HOH 9 -30.863 7.584 -14.766 1.00 25.63 O HETATM 1475 O HOH 10 -39.504 -3.738 -6.411 1.00 34.88 O HETATM 1476 O HOH 11 -12.855 0.203 -20.325 1.00 35.38 O HETATM 1477 O HOH 12 -23.708 -5.256 -12.058 1.00 43.87 O HETATM 1478 O HOH 13 -16.409 -2.887 -16.042 1.00 36.18 O HETATM 1479 O HOH 14 -20.365 8.458 -1.890 1.00 16.50 O HETATM 1480 O HOH 15 -12.597 7.960 -11.698 1.00 21.31 O HETATM 1481 O HOH 16 -29.800 -5.187 12.550 1.00 29.37 O HETATM 1482 O HOH 17 -21.135 -3.924 -8.888 1.00 44.51 O HETATM 1483 O HOH 18 -17.816 22.782 -19.600 1.00 33.13 O HETATM 1484 O HOH 19 -19.737 17.402 -7.734 1.00 18.89 O HETATM 1485 O HOH 20 -30.083 14.738 0.598 1.00 31.08 O HETATM 1486 O HOH 21 -27.018 22.976 -3.346 1.00 53.96 O HETATM 1487 O HOH 22 -34.319 19.897 -17.888 1.00 29.69 O HETATM 1488 O HOH 23 -15.748 15.659 -9.796 1.00 23.21 O HETATM 1489 O HOH 24 -33.279 -4.240 -13.043 1.00 35.67 O HETATM 1490 O HOH 25 -38.874 12.992 -11.915 1.00 24.90 O HETATM 1491 O HOH 26 -26.127 6.072 -4.551 1.00 16.06 O HETATM 1492 O HOH 27 -22.284 22.269 -13.390 1.00 26.12 O HETATM 1493 O HOH 28 -39.861 -0.697 12.631 1.00 15.49 O HETATM 1494 O HOH 29 -17.455 6.066 -2.643 1.00 21.17 O HETATM 1495 O HOH 30 -17.097 -0.012 -7.119 1.00 36.61 O HETATM 1496 O HOH 31 -30.138 13.728 6.545 1.00 37.69 O HETATM 1497 O HOH 32 -42.787 4.930 9.621 1.00 29.20 O HETATM 1498 O HOH 33 -19.652 10.641 -9.372 1.00 31.24 O HETATM 1499 O HOH 34 -26.515 22.711 -8.423 1.00 30.62 O HETATM 1500 O HOH 35 -20.569 -3.628 -15.225 1.00 32.79 O HETATM 1501 O HOH 36 -37.007 -2.882 -10.292 1.00 44.14 O HETATM 1502 O HOH 37 -22.651 -5.757 1.901 1.00 35.28 O HETATM 1503 O HOH 38 -26.011 0.001 -21.094 1.00 39.65 O HETATM 1504 O HOH 39 -21.043 -3.515 -3.116 1.00 43.14 O HETATM 1505 O HOH 40 -19.247 23.747 -8.912 1.00 35.46 O HETATM 1506 O HOH 41 -37.606 -1.141 -5.747 1.00 28.29 O HETATM 1507 O HOH 42 -18.909 9.229 5.130 1.00 32.03 O HETATM 1508 O HOH 43 -11.477 18.031 -21.959 1.00 22.85 O HETATM 1509 O HOH 44 -31.841 -10.273 -1.433 1.00 29.04 O HETATM 1510 O HOH 45 -18.239 15.722 -9.161 1.00 23.95 O HETATM 1511 O HOH 46 -13.965 19.163 -23.164 1.00 18.99 O HETATM 1512 O HOH 47 -47.011 9.174 -4.428 1.00 38.13 O HETATM 1513 O HOH 48 -22.548 22.712 -20.083 1.00 33.64 O HETATM 1514 O HOH 49 -23.845 -0.574 -7.819 1.00 21.84 O HETATM 1515 O HOH 50 -12.976 19.960 -12.400 1.00 17.92 O HETATM 1516 O HOH 51 -18.881 19.903 -15.982 1.00 27.70 O HETATM 1517 O HOH 52 -24.805 14.976 0.194 1.00 27.20 O HETATM 1518 O HOH 53 -22.801 23.204 -5.931 1.00 37.95 O HETATM 1519 O HOH 54 -47.512 6.904 -2.784 1.00 32.27 O HETATM 1520 O HOH 55 -16.644 14.844 -17.471 1.00 12.99 O HETATM 1521 O HOH 56 -29.012 16.104 -23.564 1.00 37.14 O HETATM 1522 O HOH 57 -24.222 22.740 -10.105 1.00 28.54 O HETATM 1523 O HOH 58 -28.275 22.740 -14.827 1.00 27.27 O HETATM 1524 O HOH 59 -45.135 3.915 3.165 1.00 30.50 O HETATM 1525 O HOH 60 -24.113 5.072 -26.895 1.00 40.19 O HETATM 1526 O HOH 61 -28.093 -0.962 8.769 1.00 23.94 O HETATM 1527 O HOH 62 -45.519 -4.498 1.262 1.00 38.48 O HETATM 1528 O HOH 63 -21.601 -1.359 -21.324 1.00 49.93 O HETATM 1529 O HOH 64 -49.281 6.105 -7.484 1.00 50.10 O HETATM 1530 O HOH 65 -24.762 19.982 -7.223 1.00 21.80 O HETATM 1531 O HOH 66 -46.559 5.081 -9.465 1.00 36.82 O HETATM 1532 O HOH 67 -27.566 -0.534 -25.217 1.00 51.96 O HETATM 1533 O HOH 68 -33.255 1.248 -17.828 1.00 29.26 O HETATM 1534 O HOH 69 -29.412 16.634 -3.780 1.00 29.17 O HETATM 1535 O HOH 70 -45.776 -0.959 -1.093 1.00 29.45 O HETATM 1536 O HOH 71 -38.226 3.326 12.765 1.00 16.76 O HETATM 1537 O HOH 72 -27.291 10.312 -25.434 1.00 27.79 O HETATM 1538 O HOH 73 -39.414 15.574 -0.177 1.00 36.50 O HETATM 1539 O HOH 74 -20.759 21.583 -25.549 1.00 30.08 O HETATM 1540 O HOH 75 -43.864 -0.103 3.007 1.00 22.37 O HETATM 1541 O HOH 76 -24.902 15.450 -24.714 1.00 20.33 O HETATM 1542 O HOH 77 -11.303 16.507 -16.652 1.00 26.71 O HETATM 1543 O HOH 78 -8.947 5.178 -12.403 1.00 43.28 O HETATM 1544 O HOH 79 -25.882 11.663 10.643 1.00 50.76 O HETATM 1545 O HOH 80 -48.661 3.245 -7.530 1.00 40.32 O HETATM 1546 O HOH 81 -26.190 -9.134 -1.279 1.00 25.45 O HETATM 1547 O HOH 82 -15.215 3.740 -8.293 1.00 27.09 O HETATM 1548 O HOH 83 -23.378 -2.569 -9.648 1.00 24.54 O HETATM 1549 O HOH 84 -14.273 11.983 -0.826 1.00 18.12 O HETATM 1550 O HOH 85 -21.169 7.115 -8.373 1.00 20.41 O HETATM 1551 O HOH 86 -35.736 4.322 -17.516 1.00 32.74 O HETATM 1552 O HOH 87 -36.186 19.535 -9.430 1.00 33.21 O HETATM 1553 O HOH 88 -40.151 5.724 8.954 1.00 26.86 O HETATM 1554 O HOH 89 -11.829 2.435 -13.876 1.00 42.78 O HETATM 1555 O HOH 90 -21.424 -3.910 -6.015 1.00 36.29 O HETATM 1556 O HOH 91 -33.479 18.579 9.968 1.00 38.26 O HETATM 1557 O HOH 92 -13.580 22.193 -20.643 1.00 28.86 O HETATM 1558 O HOH 93 -27.595 19.077 -23.957 1.00 38.57 O HETATM 1559 O HOH 94 -34.061 11.402 -20.703 1.00 34.20 O HETATM 1560 O HOH 95 -24.804 24.316 -17.061 1.00 40.41 O HETATM 1561 O HOH 96 -25.712 14.058 2.621 1.00 27.86 O HETATM 1562 O HOH 97 -26.317 7.587 -27.463 1.00 27.36 O HETATM 1563 O HOH 98 -30.638 20.050 -2.054 1.00 35.48 O HETATM 1564 O HOH 99 -38.285 -3.642 1.262 1.00 15.69 O HETATM 1565 O HOH 100 -26.034 0.237 -16.807 1.00 19.75 O HETATM 1566 O HOH 101 -39.818 12.531 -14.583 1.00 48.10 O HETATM 1567 O HOH 102 -32.706 17.773 -0.955 1.00 37.27 O HETATM 1568 O HOH 103 -18.589 -1.627 -4.988 1.00 40.61 O HETATM 1569 O HOH 104 -17.275 -3.057 -23.747 1.00 45.89 O HETATM 1570 O HOH 105 -14.814 9.928 -25.112 1.00 34.13 O HETATM 1571 O HOH 106 -31.118 17.506 -21.764 1.00 31.88 O HETATM 1572 O HOH 107 -31.299 23.162 -15.414 1.00 35.65 O HETATM 1573 O HOH 108 -16.438 8.905 -27.251 1.00 29.70 O HETATM 1574 O HOH 109 -45.024 -3.595 -1.752 1.00 26.25 O HETATM 1575 O HOH 110 -13.459 14.558 -23.707 1.00 17.99 O HETATM 1576 O HOH 111 -45.751 17.867 -8.086 1.00 33.58 O HETATM 1577 O HOH 112 -32.802 -7.021 -8.973 1.00 29.53 O HETATM 1578 O HOH 113 -13.277 0.051 -15.060 1.00 28.35 O HETATM 1579 O HOH 114 -30.650 9.502 -23.339 1.00 41.10 O HETATM 1580 O HOH 115 -26.145 13.739 -26.283 1.00 34.73 O HETATM 1581 O HOH 116 -32.485 9.649 -14.105 1.00 18.57 O HETATM 1582 O HOH 117 -45.175 10.290 2.915 1.00 24.60 O HETATM 1583 O HOH 118 -32.206 3.355 -19.321 1.00 24.04 O HETATM 1584 O HOH 119 -38.723 14.257 2.204 1.00 42.11 O HETATM 1585 O HOH 120 -19.847 6.096 1.861 1.00 36.77 O HETATM 1586 O HOH 121 -18.437 20.313 -27.615 1.00 30.13 O HETATM 1587 O HOH 122 -32.942 14.730 1.345 1.00 19.06 O HETATM 1588 O HOH 123 -15.234 6.083 -6.890 1.00 20.21 O HETATM 1589 O HOH 124 -35.850 1.768 -16.691 1.00 44.59 O HETATM 1590 O HOH 125 -16.677 4.256 -24.181 1.00 50.97 O HETATM 1591 O HOH 126 -29.753 -8.123 5.335 1.00 19.85 O HETATM 1592 O HOH 127 -43.518 -9.409 2.262 1.00 38.05 O HETATM 1593 O HOH 128 -37.449 17.197 -1.355 1.00 30.52 O HETATM 1594 O HOH 129 -28.381 -10.592 -2.452 1.00 47.59 O HETATM 1595 O HOH 130 -44.091 -0.952 -4.964 1.00 44.25 O HETATM 1596 O HOH 131 -25.418 21.591 -23.168 1.00 25.79 O HETATM 1597 O HOH 132 -5.781 1.503 -21.028 1.00 34.09 O HETATM 1598 O HOH 133 -10.136 23.227 -11.164 1.00 29.22 O HETATM 1599 O HOH 134 -33.931 19.891 -7.791 1.00 28.09 O HETATM 1600 O HOH 135 -22.948 19.505 -5.126 1.00 23.87 O HETATM 1601 O HOH 136 -45.955 -1.145 1.575 1.00 38.54 O HETATM 1602 O HOH 137 -44.073 -2.251 -11.666 1.00 51.66 O HETATM 1603 O HOH 138 -44.407 1.867 4.785 1.00 26.12 O HETATM 1604 O HOH 139 -30.128 21.666 -18.664 1.00 34.72 O HETATM 1605 O HOH 140 -19.171 5.733 -0.609 1.00 37.19 O HETATM 1606 O HOH 141 -19.418 13.380 -8.620 1.00 25.13 O HETATM 1607 O HOH 142 -27.379 -1.425 3.770 1.00 19.77 O HETATM 1608 O HOH 143 -13.330 3.941 -10.436 1.00 39.94 O HETATM 1609 O HOH 144 -16.327 2.411 -3.374 1.00 41.99 O HETATM 1610 O HOH 145 -43.406 -6.181 4.795 1.00 33.85 O HETATM 1611 O HOH 146 -49.084 5.386 -4.687 1.00 49.45 O HETATM 1612 O HOH 147 -24.179 -7.816 -3.838 1.00 48.31 O HETATM 1613 O HOH 148 -26.004 23.717 -5.981 1.00 48.69 O HETATM 1614 O HOH 149 -27.047 -0.496 6.300 1.00 24.82 O HETATM 1615 O HOH 150 -42.122 -7.279 2.985 1.00 28.60 O HETATM 1616 O HOH 151 -19.470 -3.400 -19.279 1.00 47.07 O HETATM 1617 O HOH 152 -12.294 -0.831 -17.664 1.00 43.90 O HETATM 1618 O HOH 153 -2.505 14.153 -12.768 1.00 37.81 O HETATM 1619 O HOH 154 -30.419 0.174 -19.536 1.00 42.10 O HETATM 1620 O HOH 155 -9.385 13.604 -23.848 1.00 22.92 O HETATM 1621 O HOH 156 -19.665 20.966 -18.681 1.00 29.91 O HETATM 1622 O HOH 157 -14.994 4.903 -4.432 1.00 38.69 O HETATM 1623 O HOH 158 -32.713 -2.857 -16.935 1.00 41.57 O HETATM 1624 O HOH 159 -27.763 0.001 -18.949 1.00 29.84 O HETATM 1625 O HOH 160 -8.610 5.366 -22.709 1.00 50.33 O HETATM 1626 O HOH 161 -27.058 6.870 9.919 1.00 30.64 O HETATM 1627 O HOH 162 -35.442 -4.894 -11.299 1.00 44.53 O HETATM 1628 O HOH 163 -45.633 -2.022 5.155 1.00 41.13 O HETATM 1629 O HOH 164 -25.780 18.150 -25.624 1.00 33.47 O HETATM 1630 O HOH 165 -30.777 -8.612 -6.266 1.00 46.44 O HETATM 1631 O HOH 166 -47.310 5.949 3.442 1.00 35.82 O HETATM 1632 O HOH 167 -24.675 -1.670 2.817 1.00 33.85 O HETATM 1633 O HOH 168 -34.621 21.841 -5.803 1.00 43.32 O HETATM 1634 O HOH 169 -12.988 11.451 -26.563 1.00 26.45 O HETATM 1635 O HOH 170 -46.506 5.014 -15.489 1.00 61.16 O HETATM 1636 O HOH 171 -35.949 21.376 -11.559 1.00 44.31 O HETATM 1637 O HOH 172 -11.102 5.914 -11.286 1.00 39.29 O HETATM 1638 O HOH 173 -48.455 -0.878 -1.932 1.00 40.95 O HETATM 1639 O HOH 174 -11.500 8.255 -9.122 1.00 35.99 O HETATM 1640 O HOH 175 -28.040 23.924 -12.128 1.00 45.06 O HETATM 1641 O HOH 176 -46.932 19.121 -11.283 1.00 45.84 O HETATM 1642 O HOH 177 -47.094 -5.332 -2.484 1.00 45.67 O HETATM 1643 O HOH 178 -27.679 -3.535 10.543 1.00 41.58 O HETATM 1644 O HOH 179 -30.994 24.140 -9.493 1.00 45.69 O HETATM 1645 O HOH 180 -13.380 8.269 -6.946 1.00 33.78 O HETATM 1646 C4 DL A 3 -36.501 0.067 -2.578 1.00 0.05 C HETATM 1647 C5 DL A 3 -36.667 0.242 -1.209 1.00 -0.02 C HETATM 1648 C6 DL A 3 -36.978 -0.861 -0.413 1.00 0.01 C HETATM 1649 N1 DL A 3 -37.096 -2.124 -0.948 1.00 -0.26 N HETATM 1650 C2 DL A 3 -36.905 -2.265 -2.271 1.00 0.18 C HETATM 1651 N3 DL A 3 -36.617 -1.191 -3.038 1.00 -0.25 N HETATM 1652 NBP DL A 3 -37.015 -3.462 -2.821 1.00 -0.29 N HETATM 1653 CBQ DL A 3 -37.473 -4.638 -2.060 1.00 0.02 C HETATM 1654 H3 DL A 3 -37.486 -5.519 -2.719 1.00 0.05 H HETATM 1655 H4 DL A 3 -38.487 -4.454 -1.675 1.00 0.05 H HETATM 1656 H5 DL A 3 -36.788 -4.819 -1.218 1.00 0.05 H HETATM 1657 H6 DL A 3 -36.772 -3.577 -3.815 1.00 0.19 H HETATM 1658 H2 DL A 3 -37.130 -0.720 0.651 1.00 0.09 H HETATM 1659 H1 DL A 3 -36.556 1.224 -0.765 1.00 0.06 H HETATM 1660 CAA DL A 3 -36.181 1.173 -3.439 1.00 0.08 C HETATM 1661 NAH DL A 3 -37.277 2.205 -3.565 1.00 -0.22 N HETATM 1662 CAI DL A 3 -37.897 2.513 -4.862 1.00 0.04 C HETATM 1663 CAJ DL A 3 -39.161 1.728 -5.210 1.00 -0.01 C HETATM 1664 CAK DL A 3 -40.011 2.539 -6.104 1.00 -0.01 C HETATM 1665 CAL DL A 3 -41.036 1.600 -6.690 1.00 -0.03 C HETATM 1666 NAM DL A 3 -41.745 0.812 -5.648 1.00 0.23 N HETATM 1667 CAN DL A 3 -41.468 1.258 -4.260 1.00 -0.03 C HETATM 1668 CAO DL A 3 -39.980 1.452 -3.954 1.00 -0.01 C HETATM 1669 H20 DL A 3 -39.869 2.303 -3.265 1.00 0.03 H HETATM 1670 H21 DL A 3 -39.596 0.539 -3.475 1.00 0.03 H HETATM 1671 H18 DL A 3 -41.868 0.503 -3.567 1.00 0.08 H HETATM 1672 H19 DL A 3 -41.983 2.216 -4.095 1.00 0.08 H HETATM 1673 H16 DL A 3 -41.463 -0.152 -5.733 1.00 0.20 H HETATM 1674 H17 DL A 3 -42.736 0.888 -5.813 1.00 0.20 H HETATM 1675 H14 DL A 3 -40.528 0.904 -7.374 1.00 0.08 H HETATM 1676 H15 DL A 3 -41.776 2.190 -7.251 1.00 0.08 H HETATM 1677 H12 DL A 3 -39.403 2.985 -6.905 1.00 0.03 H HETATM 1678 H13 DL A 3 -40.509 3.337 -5.534 1.00 0.03 H HETATM 1679 H11 DL A 3 -38.886 0.781 -5.698 1.00 0.03 H HETATM 1680 H9 DL A 3 -37.152 2.313 -5.646 1.00 0.05 H HETATM 1681 H10 DL A 3 -38.155 3.582 -4.865 1.00 0.05 H HETATM 1682 SAP DL A 3 -36.930 3.810 -2.944 1.00 0.07 S HETATM 1683 OAQ DL A 3 -36.221 3.541 -1.643 1.00 -0.15 O HETATM 1684 OAR DL A 3 -38.194 4.589 -2.964 1.00 -0.15 O HETATM 1685 CAS DL A 3 -35.815 4.675 -4.000 1.00 0.11 C HETATM 1686 CAX DL A 3 -36.247 5.607 -4.943 1.00 -0.03 C HETATM 1687 CAW DL A 3 -35.314 6.251 -5.757 1.00 -0.03 C HETATM 1688 CAV DL A 3 -33.958 5.965 -5.604 1.00 0.11 C HETATM 1689 CAU DL A 3 -33.539 5.035 -4.651 1.00 -0.03 C HETATM 1690 CAT DL A 3 -34.475 4.402 -3.857 1.00 -0.03 C HETATM 1691 H24 DL A 3 -34.150 3.683 -3.114 1.00 0.06 H HETATM 1692 H25 DL A 3 -32.485 4.811 -4.535 1.00 0.06 H HETATM 1693 SAY DL A 3 -32.750 6.769 -6.541 1.00 0.07 S HETATM 1694 OAZ DL A 3 -33.494 7.430 -7.663 1.00 -0.15 O HETATM 1695 OBA DL A 3 -31.700 5.794 -6.941 1.00 -0.15 O HETATM 1696 NBB DL A 3 -31.928 7.985 -5.668 1.00 -0.22 N HETATM 1697 CBE DL A 3 -32.346 8.898 -4.556 1.00 0.04 C HETATM 1698 CBF DL A 3 -33.472 8.591 -3.636 1.00 -0.03 C HETATM 1699 CBG DL A 3 -33.223 9.820 -2.728 1.00 -0.05 C HETATM 1700 CBH DL A 3 -32.420 10.869 -3.532 1.00 -0.05 C HETATM 1701 CBI DL A 3 -32.418 10.308 -4.950 1.00 -0.03 C HETATM 1702 H33 DL A 3 -33.338 10.548 -5.503 1.00 0.03 H HETATM 1703 H34 DL A 3 -31.544 10.631 -5.534 1.00 0.03 H HETATM 1704 H31 DL A 3 -31.395 10.960 -3.144 1.00 0.03 H HETATM 1705 H32 DL A 3 -32.914 11.851 -3.499 1.00 0.03 H HETATM 1706 H29 DL A 3 -32.650 9.515 -1.840 1.00 0.03 H HETATM 1707 H30 DL A 3 -34.185 10.250 -2.414 1.00 0.03 H HETATM 1708 H27 DL A 3 -33.350 7.633 -3.109 1.00 0.03 H HETATM 1709 H28 DL A 3 -34.453 8.613 -4.133 1.00 0.03 H HETATM 1710 H26 DL A 3 -31.474 8.847 -3.888 1.00 0.05 H HETATM 1711 CBC DL A 3 -30.533 7.656 -5.226 1.00 0.06 C HETATM 1712 CBD DL A 3 -29.589 8.148 -6.169 1.00 -0.02 C HETATM 1713 CBJ DL A 3 -29.953 8.601 -7.445 1.00 -0.06 C HETATM 1714 CBK DL A 3 -28.997 9.036 -8.358 1.00 -0.05 C HETATM 1715 CBL DL A 3 -27.668 9.024 -7.976 1.00 0.03 C HETATM 1716 CL DL A 3 -26.464 9.538 -9.078 1.00 -0.08 CL HETATM 1717 CBM DL A 3 -27.294 8.573 -6.717 1.00 -0.05 C HETATM 1718 CBN DL A 3 -28.255 8.137 -5.821 1.00 -0.06 C HETATM 1719 H40 DL A 3 -27.957 7.785 -4.840 1.00 0.06 H HETATM 1720 H39 DL A 3 -26.247 8.562 -6.435 1.00 0.06 H HETATM 1721 H38 DL A 3 -29.287 9.376 -9.345 1.00 0.06 H HETATM 1722 H37 DL A 3 -31.000 8.613 -7.726 1.00 0.06 H HETATM 1723 H35 DL A 3 -30.427 6.564 -5.142 1.00 0.06 H HETATM 1724 H36 DL A 3 -30.343 8.120 -4.247 1.00 0.06 H HETATM 1725 H23 DL A 3 -35.641 6.968 -6.502 1.00 0.06 H HETATM 1726 H22 DL A 3 -37.303 5.830 -5.043 1.00 0.06 H HETATM 1727 H7 DL A 3 -35.965 0.777 -4.442 1.00 0.07 H HETATM 1728 H8 DL A 3 -35.285 1.671 -3.041 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1646 1647 1651 1660 CONECT 1647 1646 1648 1659 CONECT 1648 1647 1649 1658 CONECT 1649 1648 1650 CONECT 1650 1649 1651 1652 CONECT 1651 1646 1650 CONECT 1652 1650 1653 1657 CONECT 1653 1652 1654 1655 1656 CONECT 1654 1653 CONECT 1655 1653 CONECT 1656 1653 CONECT 1657 1652 CONECT 1658 1648 CONECT 1659 1647 CONECT 1660 1646 1661 1727 1728 CONECT 1661 1660 1662 1682 CONECT 1662 1661 1663 1680 1681 CONECT 1663 1662 1664 1668 1679 CONECT 1664 1663 1665 1677 1678 CONECT 1665 1664 1666 1675 1676 CONECT 1666 1665 1667 1673 1674 CONECT 1667 1666 1668 1671 1672 CONECT 1668 1663 1667 1669 1670 CONECT 1669 1668 CONECT 1670 1668 CONECT 1671 1667 CONECT 1672 1667 CONECT 1673 1666 CONECT 1674 1666 CONECT 1675 1665 CONECT 1676 1665 CONECT 1677 1664 CONECT 1678 1664 CONECT 1679 1663 CONECT 1680 1662 CONECT 1681 1662 CONECT 1682 1661 1683 1684 1685 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1682 1686 1690 CONECT 1686 1685 1687 1726 CONECT 1687 1686 1688 1725 CONECT 1688 1687 1689 1693 CONECT 1689 1688 1690 1692 CONECT 1690 1685 1689 1691 CONECT 1691 1690 CONECT 1692 1689 CONECT 1693 1688 1694 1695 1696 CONECT 1694 1693 CONECT 1695 1693 CONECT 1696 1693 1697 1711 CONECT 1697 1696 1698 1701 1710 CONECT 1698 1697 1699 1708 1709 CONECT 1699 1698 1700 1706 1707 CONECT 1700 1699 1701 1704 1705 CONECT 1701 1697 1700 1702 1703 CONECT 1702 1701 CONECT 1703 1701 CONECT 1704 1700 CONECT 1705 1700 CONECT 1706 1699 CONECT 1707 1699 CONECT 1708 1698 CONECT 1709 1698 CONECT 1710 1697 CONECT 1711 1696 1712 1723 1724 CONECT 1712 1711 1713 1718 CONECT 1713 1712 1714 1722 CONECT 1714 1713 1715 1721 CONECT 1715 1714 1716 1717 CONECT 1716 1715 CONECT 1717 1715 1718 1720 CONECT 1718 1712 1717 1719 CONECT 1719 1718 CONECT 1720 1717 CONECT 1721 1714 CONECT 1722 1713 CONECT 1723 1711 CONECT 1724 1711 CONECT 1725 1687 CONECT 1726 1686 CONECT 1727 1660 CONECT 1728 1660 MASTER 0 0 0 0 0 0 0 0 1727 1 87 12 END
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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
5ml3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
DL3
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=203pM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 2423-2428
Ligand Properties
Formula
C
3
0
H
4
0
ClN
6
O
4
S
2
Molecular Weight
648.259
Exact Mass
647.224
No. of atoms
83
No. of bonds
87
Polar Surface Area
145.94
LOGP Value
4.05 (
Computed with XLOGP3
)
7.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
CNc1nccc(n1)CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1ccc(cc1)Cl)CC1CC[NH2+]CC1
InChI String
InChI=1S/C30H39ClN6O4S2/c1-32-30-34-19-16-26(35-30)22-36(20-24-14-17-33-18-15-24)42(38,39)28-10-12-29(13-11-28)43(40,41)37(27-4-2-3-5-27)21-23-6-8-25(31)9-7-23/h6-13,16,19,24,27,33H,2-5,14-15,17-18,20-22H2,1H3,(H,32,34,35)/p+1
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):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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