Browse entries in the PDBbind-CN Database
HEADER 5UMX_COMPLEX COMPND 5UMX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL SEQRES 2 A 121 PRO VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL SEQRES 3 A 121 GLU THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY SEQRES 4 A 121 VAL HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA SEQRES 5 A 121 ASP THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET SEQRES 6 A 121 PRO PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP SEQRES 7 A 121 ASP VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY SEQRES 8 A 121 VAL ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG SEQRES 9 A 121 GLN ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY SEQRES 10 A 121 LEU ASN GLN PRO SEQRES 1 B 121 SER HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL SEQRES 2 B 121 PRO VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL SEQRES 3 B 121 GLU THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY SEQRES 4 B 121 VAL HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA SEQRES 5 B 121 ASP THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET SEQRES 6 B 121 PRO PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP SEQRES 7 B 121 ASP VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY SEQRES 8 B 121 VAL ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG SEQRES 9 B 121 GLN ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY SEQRES 10 B 121 LEU ASN GLN PRO HET RBF A 490 47 ATOM 1 N SER A -1 -7.921 -13.408 -13.151 1.00 44.37 N ATOM 2 CA SER A -1 -7.883 -12.750 -14.494 1.00 44.21 C ATOM 3 C SER A -1 -6.569 -11.960 -14.689 1.00 41.78 C ATOM 4 O SER A -1 -5.605 -12.519 -15.204 1.00 43.43 O ATOM 5 CB SER A -1 -9.124 -11.873 -14.686 1.00 46.30 C ATOM 6 OG SER A -1 -9.387 -11.113 -13.516 1.00 48.79 O ATOM 7 HG SER A -1 -10.191 -10.554 -13.661 1.00 0.00 H ATOM 8 HN3 SER A -1 -7.855 -12.682 -12.409 1.00 0.00 H ATOM 9 HN2 SER A -1 -7.120 -14.066 -13.066 1.00 0.00 H ATOM 10 HN1 SER A -1 -8.814 -13.931 -13.048 1.00 0.00 H ATOM 11 N HIS A 0 -6.520 -10.689 -14.279 1.00 37.05 N ATOM 12 CA HIS A 0 -5.290 -9.890 -14.389 1.00 34.30 C ATOM 13 C HIS A 0 -4.785 -9.495 -12.996 1.00 28.39 C ATOM 14 O HIS A 0 -5.549 -9.463 -12.018 1.00 24.81 O ATOM 15 CB HIS A 0 -5.475 -8.688 -15.345 1.00 39.04 C ATOM 16 CG HIS A 0 -5.904 -7.412 -14.685 1.00 43.01 C ATOM 17 ND1 HIS A 0 -6.929 -7.345 -13.764 1.00 46.92 N ATOM 18 CD2 HIS A 0 -5.465 -6.140 -14.849 1.00 47.33 C ATOM 19 CE1 HIS A 0 -7.085 -6.092 -13.367 1.00 48.79 C ATOM 20 NE2 HIS A 0 -6.210 -5.341 -14.013 1.00 48.88 N ATOM 21 H HIS A 0 -7.373 -10.254 -13.872 1.00 0.00 H ATOM 22 N MET A 1 -3.491 -9.205 -12.916 1.00 23.85 N ATOM 23 CA MET A 1 -2.858 -8.915 -11.633 1.00 21.71 C ATOM 24 C MET A 1 -3.389 -7.621 -11.017 1.00 20.13 C ATOM 25 O MET A 1 -3.719 -6.666 -11.734 1.00 19.98 O ATOM 26 CB MET A 1 -1.330 -8.841 -11.781 1.00 22.06 C ATOM 27 CG MET A 1 -0.683 -10.143 -12.218 1.00 23.29 C ATOM 28 SD MET A 1 -0.689 -11.442 -10.960 1.00 23.51 S ATOM 29 CE MET A 1 0.611 -10.907 -9.881 1.00 23.65 C ATOM 30 H MET A 1 -2.918 -9.184 -13.784 1.00 0.00 H ATOM 31 N ALA A 2 -3.440 -7.601 -9.687 1.00 17.53 N ATOM 32 CA ALA A 2 -3.973 -6.484 -8.900 1.00 17.21 C ATOM 33 C ALA A 2 -2.867 -5.553 -8.374 1.00 16.60 C ATOM 34 O ALA A 2 -3.107 -4.702 -7.517 1.00 17.16 O ATOM 35 CB ALA A 2 -4.795 -7.012 -7.743 1.00 17.55 C ATOM 36 H ALA A 2 -3.079 -8.430 -9.173 1.00 0.00 H ATOM 37 N ILE A 3 -1.677 -5.694 -8.938 1.00 15.97 N ATOM 38 CA ILE A 3 -0.529 -4.870 -8.564 1.00 14.80 C ATOM 39 C ILE A 3 -0.774 -3.470 -9.112 1.00 15.03 C ATOM 40 O ILE A 3 -1.050 -3.310 -10.308 1.00 14.60 O ATOM 41 CB ILE A 3 0.778 -5.442 -9.171 1.00 14.86 C ATOM 42 CG1 ILE A 3 1.123 -6.783 -8.521 1.00 14.39 C ATOM 43 CG2 ILE A 3 1.931 -4.439 -9.035 1.00 14.17 C ATOM 44 CD1 ILE A 3 2.124 -7.635 -9.277 1.00 14.66 C ATOM 45 H ILE A 3 -1.555 -6.418 -9.674 1.00 0.00 H ATOM 46 N SER A 4 -0.684 -2.468 -8.255 1.00 14.67 N ATOM 47 CA SER A 4 -0.924 -1.074 -8.666 1.00 14.70 C ATOM 48 C SER A 4 0.354 -0.301 -8.969 1.00 13.58 C ATOM 49 O SER A 4 0.370 0.529 -9.870 1.00 13.52 O ATOM 50 CB SER A 4 -1.743 -0.302 -7.620 1.00 16.12 C ATOM 51 OG SER A 4 -1.136 -0.326 -6.353 1.00 18.39 O ATOM 52 HG SER A 4 -0.239 0.088 -6.410 1.00 0.00 H ATOM 53 H SER A 4 -0.437 -2.669 -7.265 1.00 0.00 H ATOM 54 N HIS A 5 1.402 -0.557 -8.198 1.00 12.44 N ATOM 55 CA HIS A 5 2.640 0.189 -8.323 1.00 12.32 C ATOM 56 C HIS A 5 3.715 -0.466 -7.496 1.00 11.12 C ATOM 57 O HIS A 5 3.441 -1.304 -6.641 1.00 10.74 O ATOM 58 CB HIS A 5 2.488 1.668 -7.906 1.00 12.64 C ATOM 59 CG HIS A 5 1.959 1.885 -6.523 1.00 13.48 C ATOM 60 ND1 HIS A 5 0.609 1.875 -6.235 1.00 14.90 N ATOM 61 CD2 HIS A 5 2.591 2.159 -5.359 1.00 13.35 C ATOM 62 CE1 HIS A 5 0.438 2.144 -4.952 1.00 14.78 C ATOM 63 NE2 HIS A 5 1.622 2.322 -4.395 1.00 14.02 N ATOM 64 H HIS A 5 1.335 -1.312 -7.486 1.00 0.00 H ATOM 65 N VAL A 6 4.954 -0.059 -7.734 1.00 9.70 N ATOM 66 CA VAL A 6 6.041 -0.405 -6.845 1.00 9.12 C ATOM 67 C VAL A 6 5.853 0.368 -5.539 1.00 9.05 C ATOM 68 O VAL A 6 5.812 1.589 -5.543 1.00 8.95 O ATOM 69 CB VAL A 6 7.408 -0.042 -7.457 1.00 8.67 C ATOM 70 CG1 VAL A 6 8.540 -0.381 -6.482 1.00 8.33 C ATOM 71 CG2 VAL A 6 7.598 -0.757 -8.789 1.00 8.65 C ATOM 72 H VAL A 6 5.148 0.520 -8.576 1.00 0.00 H ATOM 73 N GLN A 7 5.723 -0.343 -4.419 1.00 9.16 N ATOM 74 CA GLN A 7 5.565 0.332 -3.139 1.00 9.48 C ATOM 75 C GLN A 7 6.887 0.966 -2.728 1.00 9.23 C ATOM 76 O GLN A 7 6.942 2.123 -2.287 1.00 9.17 O ATOM 77 CB GLN A 7 5.066 -0.618 -2.051 1.00 10.63 C ATOM 78 CG GLN A 7 4.795 0.127 -0.750 1.00 11.50 C ATOM 79 CD GLN A 7 3.896 -0.574 0.245 1.00 12.91 C ATOM 80 OE1 GLN A 7 3.765 -0.109 1.389 1.00 17.59 O ATOM 81 NE2 GLN A 7 3.247 -1.608 -0.167 1.00 12.80 N ATOM 82 HE22 GLN A 7 3.391 -1.961 -1.135 1.00 0.00 H ATOM 83 HE21 GLN A 7 2.579 -2.090 0.468 1.00 0.00 H ATOM 84 H GLN A 7 5.734 -1.382 -4.460 1.00 0.00 H ATOM 85 N LEU A 8 7.948 0.175 -2.824 1.00 8.31 N ATOM 86 CA LEU A 8 9.273 0.659 -2.415 1.00 8.09 C ATOM 87 C LEU A 8 10.362 -0.176 -3.026 1.00 7.80 C ATOM 88 O LEU A 8 10.112 -1.296 -3.446 1.00 7.60 O ATOM 89 CB LEU A 8 9.411 0.691 -0.885 1.00 8.28 C ATOM 90 CG LEU A 8 9.109 -0.592 -0.105 1.00 8.49 C ATOM 91 CD1 LEU A 8 10.311 -1.525 -0.059 1.00 8.83 C ATOM 92 CD2 LEU A 8 8.630 -0.289 1.308 1.00 8.56 C ATOM 93 H LEU A 8 7.841 -0.792 -3.191 1.00 0.00 H ATOM 94 N PHE A 9 11.565 0.389 -3.039 1.00 7.69 N ATOM 95 CA PHE A 9 12.783 -0.348 -3.413 1.00 7.91 C ATOM 96 C PHE A 9 13.913 0.113 -2.508 1.00 8.28 C ATOM 97 O PHE A 9 13.765 1.097 -1.782 1.00 7.95 O ATOM 98 CB PHE A 9 13.121 -0.180 -4.904 1.00 7.92 C ATOM 99 CG PHE A 9 13.439 1.214 -5.297 1.00 7.81 C ATOM 100 CD1 PHE A 9 12.411 2.095 -5.612 1.00 8.12 C ATOM 101 CD2 PHE A 9 14.736 1.658 -5.373 1.00 7.98 C ATOM 102 CE1 PHE A 9 12.688 3.397 -5.967 1.00 8.05 C ATOM 103 CE2 PHE A 9 15.019 2.965 -5.730 1.00 8.03 C ATOM 104 CZ PHE A 9 13.986 3.844 -6.018 1.00 8.04 C ATOM 105 H PHE A 9 11.649 1.391 -2.775 1.00 0.00 H ATOM 106 N SER A 10 15.009 -0.631 -2.530 1.00 8.72 N ATOM 107 CA SER A 10 16.070 -0.467 -1.559 1.00 9.54 C ATOM 108 C SER A 10 17.298 0.206 -2.164 1.00 9.06 C ATOM 109 O SER A 10 17.666 -0.029 -3.320 1.00 10.04 O ATOM 110 CB SER A 10 16.361 -1.836 -0.909 1.00 11.38 C ATOM 111 OG SER A 10 15.224 -2.159 -0.110 1.00 13.39 O ATOM 112 HG SER A 10 14.420 -2.205 -0.686 1.00 0.00 H ATOM 113 H SER A 10 15.110 -1.356 -3.269 1.00 0.00 H ATOM 114 N VAL A 11 17.923 1.042 -1.352 1.00 8.28 N ATOM 115 CA VAL A 11 19.134 1.779 -1.681 1.00 8.72 C ATOM 116 C VAL A 11 20.185 1.403 -0.643 1.00 8.31 C ATOM 117 O VAL A 11 19.974 1.644 0.545 1.00 8.58 O ATOM 118 CB VAL A 11 18.923 3.297 -1.675 1.00 8.88 C ATOM 119 CG1 VAL A 11 20.246 3.989 -1.953 1.00 9.07 C ATOM 120 CG2 VAL A 11 17.878 3.713 -2.702 1.00 9.19 C ATOM 121 H VAL A 11 17.518 1.184 -0.405 1.00 0.00 H ATOM 122 N PRO A 12 21.332 0.827 -1.062 1.00 8.45 N ATOM 123 CA PRO A 12 22.279 0.290 -0.118 1.00 8.59 C ATOM 124 C PRO A 12 23.225 1.353 0.420 1.00 8.49 C ATOM 125 O PRO A 12 23.965 2.007 -0.329 1.00 8.55 O ATOM 126 CB PRO A 12 23.005 -0.779 -0.922 1.00 8.70 C ATOM 127 CG PRO A 12 23.028 -0.234 -2.300 1.00 8.45 C ATOM 128 CD PRO A 12 21.735 0.523 -2.458 1.00 8.45 C ATOM 129 N VAL A 13 23.229 1.498 1.736 1.00 8.96 N ATOM 130 CA VAL A 13 24.040 2.509 2.387 1.00 9.70 C ATOM 131 C VAL A 13 24.851 1.897 3.522 1.00 10.98 C ATOM 132 O VAL A 13 24.604 0.752 3.918 1.00 11.13 O ATOM 133 CB VAL A 13 23.153 3.670 2.913 1.00 9.96 C ATOM 134 CG1 VAL A 13 22.331 4.268 1.777 1.00 10.09 C ATOM 135 CG2 VAL A 13 22.273 3.242 4.090 1.00 10.20 C ATOM 136 H VAL A 13 22.636 0.872 2.317 1.00 0.00 H ATOM 137 N SER A 14 25.803 2.663 4.052 1.00 11.56 N ATOM 138 CA SER A 14 26.615 2.186 5.181 1.00 12.40 C ATOM 139 C SER A 14 26.108 2.852 6.462 1.00 12.90 C ATOM 140 O SER A 14 25.336 2.244 7.220 1.00 15.61 O ATOM 141 CB SER A 14 28.116 2.373 4.895 1.00 12.67 C ATOM 142 OG SER A 14 28.482 3.725 4.703 1.00 12.76 O ATOM 143 HG SER A 14 27.982 4.095 3.933 1.00 0.00 H ATOM 144 H SER A 14 25.974 3.612 3.662 1.00 0.00 H ATOM 145 N ASP A 15 26.453 4.115 6.643 1.00 13.15 N ATOM 146 CA ASP A 15 26.050 4.888 7.799 1.00 13.28 C ATOM 147 C ASP A 15 24.658 5.408 7.514 1.00 12.51 C ATOM 148 O ASP A 15 24.463 6.286 6.685 1.00 13.19 O ATOM 149 CB ASP A 15 27.057 6.031 8.017 1.00 14.05 C ATOM 150 CG ASP A 15 26.725 6.897 9.224 1.00 15.66 C ATOM 151 OD1 ASP A 15 25.562 6.943 9.641 1.00 17.37 O ATOM 152 OD2 ASP A 15 27.653 7.552 9.740 1.00 19.41 O ATOM 153 H ASP A 15 27.042 4.576 5.920 1.00 0.00 H ATOM 154 N GLN A 16 23.680 4.806 8.167 1.00 13.00 N ATOM 155 CA GLN A 16 22.291 5.143 7.934 1.00 12.61 C ATOM 156 C GLN A 16 21.924 6.527 8.424 1.00 13.14 C ATOM 157 O GLN A 16 21.065 7.171 7.837 1.00 12.62 O ATOM 158 CB GLN A 16 21.383 4.097 8.543 1.00 12.22 C ATOM 159 CG GLN A 16 21.372 2.791 7.783 1.00 12.60 C ATOM 160 CD GLN A 16 20.471 1.794 8.449 1.00 12.64 C ATOM 161 OE1 GLN A 16 20.772 1.328 9.560 1.00 14.16 O ATOM 162 NE2 GLN A 16 19.369 1.446 7.808 1.00 12.57 N ATOM 163 HE22 GLN A 16 19.155 1.861 6.879 1.00 0.00 H ATOM 164 HE21 GLN A 16 18.716 0.757 8.233 1.00 0.00 H ATOM 165 H GLN A 16 23.913 4.072 8.866 1.00 0.00 H ATOM 166 N GLU A 17 22.568 7.000 9.480 1.00 13.76 N ATOM 167 CA GLU A 17 22.283 8.333 9.991 1.00 14.67 C ATOM 168 C GLU A 17 22.708 9.401 8.975 1.00 14.04 C ATOM 169 O GLU A 17 21.976 10.351 8.699 1.00 14.89 O ATOM 170 CB GLU A 17 23.002 8.540 11.322 1.00 16.45 C ATOM 171 CG GLU A 17 22.551 9.778 12.069 1.00 18.37 C ATOM 172 CD GLU A 17 21.108 9.716 12.535 1.00 20.37 C ATOM 173 OE1 GLU A 17 20.537 10.795 12.793 1.00 23.12 O ATOM 174 OE2 GLU A 17 20.546 8.609 12.670 1.00 23.00 O ATOM 175 H GLU A 17 23.286 6.412 9.950 1.00 0.00 H ATOM 176 N LYS A 18 23.889 9.209 8.416 1.00 14.01 N ATOM 177 CA LYS A 18 24.433 10.036 7.353 1.00 15.01 C ATOM 178 C LYS A 18 23.524 10.009 6.104 1.00 13.40 C ATOM 179 O LYS A 18 23.233 11.066 5.493 1.00 12.74 O ATOM 180 CB LYS A 18 25.801 9.468 7.011 1.00 17.88 C ATOM 181 CG LYS A 18 26.540 10.128 5.894 1.00 21.48 C ATOM 182 CD LYS A 18 27.143 11.407 6.340 1.00 24.23 C ATOM 183 CE LYS A 18 28.322 11.741 5.453 1.00 26.35 C ATOM 184 NZ LYS A 18 28.856 13.029 5.923 1.00 26.22 N ATOM 185 HZ1 LYS A 18 28.118 13.758 5.847 1.00 0.00 H ATOM 186 HZ2 LYS A 18 29.154 12.938 6.915 1.00 0.00 H ATOM 187 HZ3 LYS A 18 29.673 13.299 5.338 1.00 0.00 H ATOM 188 H LYS A 18 24.466 8.415 8.759 1.00 0.00 H ATOM 189 N ALA A 19 23.077 8.804 5.730 1.00 11.54 N ATOM 190 CA ALA A 19 22.164 8.656 4.593 1.00 11.59 C ATOM 191 C ALA A 19 20.819 9.338 4.854 1.00 11.21 C ATOM 192 O ALA A 19 20.263 10.002 3.964 1.00 11.18 O ATOM 193 CB ALA A 19 21.943 7.188 4.293 1.00 10.95 C ATOM 194 H ALA A 19 23.382 7.959 6.254 1.00 0.00 H ATOM 195 N LYS A 20 20.276 9.157 6.044 1.00 12.02 N ATOM 196 CA LYS A 20 19.038 9.856 6.428 1.00 12.97 C ATOM 197 C LYS A 20 19.197 11.376 6.235 1.00 13.53 C ATOM 198 O LYS A 20 18.357 12.026 5.589 1.00 13.16 O ATOM 199 CB LYS A 20 18.684 9.531 7.894 1.00 14.54 C ATOM 200 CG LYS A 20 17.494 10.266 8.476 1.00 16.22 C ATOM 201 CD LYS A 20 17.348 9.973 9.965 1.00 18.08 C ATOM 202 CE LYS A 20 16.104 10.600 10.563 1.00 21.45 C ATOM 203 NZ LYS A 20 15.764 10.116 11.945 1.00 23.04 N ATOM 204 HZ1 LYS A 20 15.604 9.089 11.922 1.00 0.00 H ATOM 205 HZ2 LYS A 20 16.551 10.331 12.590 1.00 0.00 H ATOM 206 HZ3 LYS A 20 14.902 10.595 12.276 1.00 0.00 H ATOM 207 H LYS A 20 20.730 8.511 6.721 1.00 0.00 H ATOM 208 N ASP A 21 20.259 11.945 6.804 1.00 13.74 N ATOM 209 CA ASP A 21 20.456 13.397 6.688 1.00 14.67 C ATOM 210 C ASP A 21 20.581 13.835 5.228 1.00 12.73 C ATOM 211 O ASP A 21 19.982 14.836 4.804 1.00 12.14 O ATOM 212 CB ASP A 21 21.652 13.840 7.521 1.00 17.39 C ATOM 213 CG ASP A 21 21.380 13.750 9.014 1.00 22.01 C ATOM 214 OD1 ASP A 21 20.188 13.709 9.437 1.00 23.52 O ATOM 215 OD2 ASP A 21 22.377 13.706 9.767 1.00 25.19 O ATOM 216 H ASP A 21 20.945 11.365 7.328 1.00 0.00 H ATOM 217 N PHE A 22 21.259 13.034 4.429 1.00 10.96 N ATOM 218 CA PHE A 22 21.389 13.344 3.007 1.00 10.12 C ATOM 219 C PHE A 22 20.074 13.357 2.236 1.00 9.48 C ATOM 220 O PHE A 22 19.744 14.328 1.567 1.00 9.64 O ATOM 221 CB PHE A 22 22.402 12.411 2.333 1.00 9.73 C ATOM 222 CG PHE A 22 22.666 12.760 0.907 1.00 9.56 C ATOM 223 CD1 PHE A 22 23.523 13.809 0.552 1.00 9.64 C ATOM 224 CD2 PHE A 22 22.067 12.041 -0.114 1.00 9.69 C ATOM 225 CE1 PHE A 22 23.749 14.128 -0.772 1.00 9.86 C ATOM 226 CE2 PHE A 22 22.302 12.360 -1.444 1.00 9.81 C ATOM 227 CZ PHE A 22 23.148 13.408 -1.780 1.00 9.89 C ATOM 228 H PHE A 22 21.704 12.176 4.814 1.00 0.00 H ATOM 229 N TYR A 23 19.309 12.270 2.345 1.00 9.19 N ATOM 230 CA TYR A 23 18.086 12.153 1.565 1.00 9.09 C ATOM 231 C TYR A 23 17.022 13.120 2.071 1.00 9.38 C ATOM 232 O TYR A 23 16.298 13.668 1.273 1.00 9.13 O ATOM 233 CB TYR A 23 17.604 10.684 1.514 1.00 9.06 C ATOM 234 CG TYR A 23 18.444 9.858 0.563 1.00 8.86 C ATOM 235 CD1 TYR A 23 19.563 9.155 0.985 1.00 8.73 C ATOM 236 CD2 TYR A 23 18.115 9.812 -0.775 1.00 9.32 C ATOM 237 CE1 TYR A 23 20.335 8.429 0.090 1.00 8.68 C ATOM 238 CE2 TYR A 23 18.879 9.104 -1.668 1.00 9.41 C ATOM 239 CZ TYR A 23 19.983 8.417 -1.240 1.00 9.34 C ATOM 240 OH TYR A 23 20.716 7.718 -2.159 1.00 9.77 O ATOM 241 HH TYR A 23 21.477 7.276 -1.705 1.00 0.00 H ATOM 242 H TYR A 23 19.588 11.503 2.990 1.00 0.00 H ATOM 243 N VAL A 24 16.953 13.304 3.382 1.00 10.23 N ATOM 244 CA VAL A 24 15.912 14.143 3.973 1.00 11.02 C ATOM 245 C VAL A 24 16.290 15.614 3.899 1.00 11.65 C ATOM 246 O VAL A 24 15.534 16.409 3.344 1.00 11.82 O ATOM 247 CB VAL A 24 15.630 13.705 5.415 1.00 11.95 C ATOM 248 CG1 VAL A 24 14.616 14.637 6.083 1.00 11.94 C ATOM 249 CG2 VAL A 24 15.167 12.246 5.445 1.00 12.67 C ATOM 250 H VAL A 24 17.651 12.844 4.000 1.00 0.00 H ATOM 251 N GLU A 25 17.430 15.997 4.470 1.00 12.46 N ATOM 252 CA GLU A 25 17.799 17.413 4.533 1.00 14.04 C ATOM 253 C GLU A 25 18.333 17.953 3.212 1.00 13.50 C ATOM 254 O GLU A 25 17.901 19.006 2.749 1.00 15.34 O ATOM 255 CB GLU A 25 18.796 17.683 5.651 1.00 16.44 C ATOM 256 CG GLU A 25 18.337 17.227 7.030 1.00 18.96 C ATOM 257 CD GLU A 25 17.053 17.887 7.501 1.00 23.43 C ATOM 258 OE1 GLU A 25 16.248 17.203 8.188 1.00 28.09 O ATOM 259 OE2 GLU A 25 16.838 19.077 7.180 1.00 27.27 O ATOM 260 H GLU A 25 18.066 15.282 4.876 1.00 0.00 H ATOM 261 N THR A 26 19.215 17.210 2.572 1.00 12.67 N ATOM 262 CA THR A 26 19.883 17.725 1.383 1.00 11.89 C ATOM 263 C THR A 26 19.051 17.549 0.140 1.00 11.90 C ATOM 264 O THR A 26 18.872 18.500 -0.616 1.00 12.04 O ATOM 265 CB THR A 26 21.267 17.070 1.193 1.00 12.61 C ATOM 266 OG1 THR A 26 22.026 17.241 2.402 1.00 14.20 O ATOM 267 CG2 THR A 26 22.016 17.689 0.047 1.00 12.23 C ATOM 268 HG1 THR A 26 22.133 18.207 2.589 1.00 0.00 H ATOM 269 H THR A 26 19.435 16.254 2.917 1.00 0.00 H ATOM 270 N VAL A 27 18.564 16.335 -0.103 1.00 10.77 N ATOM 271 CA VAL A 27 17.734 16.059 -1.302 1.00 11.09 C ATOM 272 C VAL A 27 16.275 16.492 -1.090 1.00 10.84 C ATOM 273 O VAL A 27 15.545 16.697 -2.080 1.00 11.98 O ATOM 274 CB VAL A 27 17.828 14.581 -1.762 1.00 11.51 C ATOM 275 CG1 VAL A 27 17.068 14.333 -3.062 1.00 12.32 C ATOM 276 CG2 VAL A 27 19.295 14.159 -1.908 1.00 11.70 C ATOM 277 H VAL A 27 18.769 15.562 0.562 1.00 0.00 H ATOM 278 N GLY A 28 15.848 16.633 0.166 1.00 10.66 N ATOM 279 CA GLY A 28 14.526 17.197 0.474 1.00 10.96 C ATOM 280 C GLY A 28 13.391 16.184 0.591 1.00 10.46 C ATOM 281 O GLY A 28 12.200 16.569 0.529 1.00 10.69 O ATOM 282 H GLY A 28 16.467 16.336 0.948 1.00 0.00 H ATOM 283 N PHE A 29 13.716 14.892 0.750 1.00 9.49 N ATOM 284 CA PHE A 29 12.665 13.883 0.793 1.00 9.37 C ATOM 285 C PHE A 29 11.978 13.955 2.151 1.00 9.11 C ATOM 286 O PHE A 29 12.552 14.429 3.129 1.00 10.25 O ATOM 287 CB PHE A 29 13.245 12.470 0.655 1.00 9.31 C ATOM 288 CG PHE A 29 13.670 12.071 -0.746 1.00 10.00 C ATOM 289 CD1 PHE A 29 13.644 12.942 -1.839 1.00 11.00 C ATOM 290 CD2 PHE A 29 14.142 10.783 -0.951 1.00 10.49 C ATOM 291 CE1 PHE A 29 14.040 12.493 -3.104 1.00 11.19 C ATOM 292 CE2 PHE A 29 14.525 10.342 -2.205 1.00 11.26 C ATOM 293 CZ PHE A 29 14.500 11.206 -3.271 1.00 11.56 C ATOM 294 H PHE A 29 14.713 14.612 0.842 1.00 0.00 H ATOM 295 N ASP A 30 10.754 13.468 2.213 1.00 9.03 N ATOM 296 CA ASP A 30 10.084 13.246 3.487 1.00 9.37 C ATOM 297 C ASP A 30 10.610 11.982 4.140 1.00 9.74 C ATOM 298 O ASP A 30 10.831 10.968 3.483 1.00 9.45 O ATOM 299 CB ASP A 30 8.565 13.073 3.274 1.00 9.72 C ATOM 300 CG ASP A 30 7.824 14.407 3.216 1.00 10.74 C ATOM 301 OD1 ASP A 30 8.448 15.420 2.886 1.00 11.54 O ATOM 302 OD2 ASP A 30 6.617 14.421 3.529 1.00 10.59 O ATOM 303 H ASP A 30 10.255 13.237 1.330 1.00 0.00 H ATOM 304 N LEU A 31 10.719 12.033 5.464 1.00 9.37 N ATOM 305 CA LEU A 31 11.027 10.865 6.267 1.00 9.90 C ATOM 306 C LEU A 31 9.734 10.120 6.604 1.00 10.08 C ATOM 307 O LEU A 31 8.931 10.569 7.437 1.00 10.13 O ATOM 308 CB LEU A 31 11.774 11.283 7.534 1.00 10.74 C ATOM 309 CG LEU A 31 12.128 10.116 8.456 1.00 11.22 C ATOM 310 CD1 LEU A 31 13.121 9.131 7.838 1.00 11.65 C ATOM 311 CD2 LEU A 31 12.624 10.605 9.819 1.00 11.75 C ATOM 312 H LEU A 31 10.578 12.946 5.942 1.00 0.00 H ATOM 313 N LEU A 32 9.519 8.987 5.957 1.00 10.37 N ATOM 314 CA LEU A 32 8.294 8.229 6.170 1.00 10.70 C ATOM 315 C LEU A 32 8.348 7.398 7.421 1.00 11.18 C ATOM 316 O LEU A 32 7.330 7.277 8.138 1.00 12.49 O ATOM 317 CB LEU A 32 7.990 7.346 4.982 1.00 10.77 C ATOM 318 CG LEU A 32 7.914 8.028 3.615 1.00 11.00 C ATOM 319 CD1 LEU A 32 7.326 7.070 2.629 1.00 11.32 C ATOM 320 CD2 LEU A 32 7.102 9.317 3.621 1.00 11.82 C ATOM 321 H LEU A 32 10.233 8.633 5.288 1.00 0.00 H ATOM 322 N ALA A 33 9.495 6.758 7.664 1.00 11.09 N ATOM 323 CA ALA A 33 9.640 5.891 8.813 1.00 11.93 C ATOM 324 C ALA A 33 11.077 5.769 9.204 1.00 12.55 C ATOM 325 O ALA A 33 11.946 5.773 8.367 1.00 11.89 O ATOM 326 CB ALA A 33 9.106 4.509 8.512 1.00 11.86 C ATOM 327 H ALA A 33 10.298 6.885 7.016 1.00 0.00 H ATOM 328 N ASP A 34 11.306 5.624 10.504 1.00 13.79 N ATOM 329 CA ASP A 34 12.627 5.358 11.029 1.00 14.99 C ATOM 330 C ASP A 34 12.404 4.375 12.161 1.00 15.86 C ATOM 331 O ASP A 34 12.102 4.782 13.293 1.00 17.20 O ATOM 332 CB ASP A 34 13.304 6.646 11.496 1.00 16.19 C ATOM 333 CG ASP A 34 14.754 6.438 11.905 1.00 17.30 C ATOM 334 OD1 ASP A 34 15.184 5.291 12.116 1.00 17.82 O ATOM 335 OD2 ASP A 34 15.495 7.438 12.025 1.00 19.72 O ATOM 336 H ASP A 34 10.509 5.704 11.167 1.00 0.00 H ATOM 337 N GLN A 35 12.549 3.094 11.848 1.00 16.77 N ATOM 338 CA GLN A 35 12.014 2.013 12.681 1.00 17.51 C ATOM 339 C GLN A 35 13.094 0.989 13.010 1.00 17.62 C ATOM 340 O GLN A 35 13.209 -0.028 12.332 1.00 16.24 O ATOM 341 CB GLN A 35 10.853 1.348 11.946 1.00 18.57 C ATOM 342 CG GLN A 35 9.642 2.266 11.827 1.00 19.96 C ATOM 343 CD GLN A 35 8.453 1.686 11.072 1.00 20.90 C ATOM 344 OE1 GLN A 35 7.420 2.341 10.992 1.00 23.54 O ATOM 345 NE2 GLN A 35 8.575 0.488 10.521 1.00 21.63 N ATOM 346 HE22 GLN A 35 9.468 -0.037 10.611 1.00 0.00 H ATOM 347 HE21 GLN A 35 7.778 0.072 9.999 1.00 0.00 H ATOM 348 H GLN A 35 13.062 2.847 10.978 1.00 0.00 H ATOM 349 N PRO A 36 13.878 1.235 14.073 1.00 18.81 N ATOM 350 CA PRO A 36 14.715 0.138 14.599 1.00 19.63 C ATOM 351 C PRO A 36 13.869 -1.066 15.043 1.00 20.70 C ATOM 352 O PRO A 36 12.681 -0.940 15.356 1.00 20.12 O ATOM 353 CB PRO A 36 15.450 0.754 15.793 1.00 20.79 C ATOM 354 CG PRO A 36 15.024 2.165 15.876 1.00 21.13 C ATOM 355 CD PRO A 36 14.211 2.536 14.678 1.00 19.97 C ATOM 356 N GLY A 37 14.497 -2.222 15.030 1.00 23.64 N ATOM 357 CA GLY A 37 13.826 -3.471 15.354 1.00 26.60 C ATOM 358 C GLY A 37 14.842 -4.593 15.334 1.00 29.77 C ATOM 359 O GLY A 37 16.026 -4.352 15.093 1.00 29.73 O ATOM 360 H GLY A 37 15.506 -2.243 14.780 1.00 0.00 H ATOM 361 N VAL A 38 14.367 -5.808 15.600 1.00 34.12 N ATOM 362 CA VAL A 38 15.211 -7.032 15.563 1.00 36.80 C ATOM 363 C VAL A 38 16.069 -7.144 14.290 1.00 35.88 C ATOM 364 O VAL A 38 17.254 -7.468 14.374 1.00 40.36 O ATOM 365 CB VAL A 38 14.380 -8.349 15.813 1.00 39.49 C ATOM 366 CG1 VAL A 38 13.024 -8.330 15.108 1.00 41.14 C ATOM 367 CG2 VAL A 38 15.156 -9.614 15.418 1.00 40.10 C ATOM 368 H VAL A 38 13.361 -5.906 15.845 1.00 0.00 H ATOM 369 N HIS A 39 15.476 -6.842 13.136 1.00 33.67 N ATOM 370 CA HIS A 39 16.089 -7.119 11.835 1.00 33.22 C ATOM 371 C HIS A 39 16.984 -6.007 11.278 1.00 29.63 C ATOM 372 O HIS A 39 17.540 -6.153 10.188 1.00 29.08 O ATOM 373 CB HIS A 39 14.986 -7.478 10.838 1.00 37.64 C ATOM 374 CG HIS A 39 14.191 -8.671 11.259 1.00 42.63 C ATOM 375 ND1 HIS A 39 14.698 -9.953 11.212 1.00 46.04 N ATOM 376 CD2 HIS A 39 12.948 -8.776 11.785 1.00 47.12 C ATOM 377 CE1 HIS A 39 13.795 -10.800 11.672 1.00 48.47 C ATOM 378 NE2 HIS A 39 12.723 -10.112 12.028 1.00 48.82 N ATOM 379 H HIS A 39 14.539 -6.391 13.160 1.00 0.00 H ATOM 380 N GLY A 40 17.136 -4.921 12.038 1.00 25.31 N ATOM 381 CA GLY A 40 17.912 -3.754 11.612 1.00 22.24 C ATOM 382 C GLY A 40 17.048 -2.500 11.658 1.00 20.08 C ATOM 383 O GLY A 40 15.898 -2.550 12.059 1.00 20.95 O ATOM 384 H GLY A 40 16.684 -4.902 12.974 1.00 0.00 H ATOM 385 N ARG A 41 17.615 -1.384 11.217 1.00 16.04 N ATOM 386 CA ARG A 41 16.933 -0.089 11.249 1.00 14.56 C ATOM 387 C ARG A 41 16.280 0.215 9.907 1.00 14.51 C ATOM 388 O ARG A 41 16.974 0.456 8.920 1.00 14.57 O ATOM 389 CB ARG A 41 17.935 1.009 11.590 1.00 14.86 C ATOM 390 CG ARG A 41 17.365 2.412 11.628 1.00 15.28 C ATOM 391 CD ARG A 41 18.459 3.391 11.928 1.00 15.54 C ATOM 392 NE ARG A 41 17.970 4.761 11.944 1.00 16.10 N ATOM 393 CZ ARG A 41 18.748 5.826 12.049 1.00 16.61 C ATOM 394 NH1 ARG A 41 20.063 5.702 12.146 1.00 17.34 N ATOM 395 NH2 ARG A 41 18.191 7.029 12.051 1.00 18.21 N ATOM 396 HE ARG A 41 16.944 4.913 11.868 1.00 0.00 H ATOM 397 HH12 ARG A 41 20.661 6.549 12.228 1.00 0.00 H ATOM 398 HH11 ARG A 41 20.498 4.757 12.140 1.00 0.00 H ATOM 399 HH22 ARG A 41 18.787 7.878 12.133 1.00 0.00 H ATOM 400 HH21 ARG A 41 17.158 7.124 11.971 1.00 0.00 H ATOM 401 H ARG A 41 18.581 -1.431 10.834 1.00 0.00 H ATOM 402 N TRP A 42 14.953 0.200 9.893 1.00 13.39 N ATOM 403 CA TRP A 42 14.189 0.410 8.675 1.00 13.05 C ATOM 404 C TRP A 42 14.019 1.896 8.508 1.00 12.74 C ATOM 405 O TRP A 42 13.294 2.535 9.264 1.00 12.89 O ATOM 406 CB TRP A 42 12.848 -0.264 8.772 1.00 13.30 C ATOM 407 CG TRP A 42 11.947 -0.055 7.659 1.00 13.91 C ATOM 408 CD1 TRP A 42 11.036 0.939 7.523 1.00 14.27 C ATOM 409 CD2 TRP A 42 11.798 -0.898 6.526 1.00 14.52 C ATOM 410 NE1 TRP A 42 10.339 0.790 6.355 1.00 15.60 N ATOM 411 CE2 TRP A 42 10.783 -0.334 5.720 1.00 14.29 C ATOM 412 CE3 TRP A 42 12.431 -2.070 6.105 1.00 14.25 C ATOM 413 CZ2 TRP A 42 10.376 -0.904 4.521 1.00 14.57 C ATOM 414 CZ3 TRP A 42 12.027 -2.644 4.913 1.00 14.23 C ATOM 415 CH2 TRP A 42 11.007 -2.064 4.134 1.00 14.34 C ATOM 416 HE1 TRP A 42 9.594 1.428 6.008 1.00 0.00 H ATOM 417 H TRP A 42 14.443 0.032 10.784 1.00 0.00 H ATOM 418 N LEU A 43 14.690 2.444 7.498 1.00 11.59 N ATOM 419 CA LEU A 43 14.744 3.863 7.248 1.00 11.54 C ATOM 420 C LEU A 43 14.141 4.113 5.878 1.00 10.76 C ATOM 421 O LEU A 43 14.683 3.626 4.880 1.00 10.60 O ATOM 422 CB LEU A 43 16.192 4.300 7.308 1.00 12.21 C ATOM 423 CG LEU A 43 16.519 5.727 6.974 1.00 13.10 C ATOM 424 CD1 LEU A 43 15.750 6.681 7.902 1.00 13.69 C ATOM 425 CD2 LEU A 43 18.026 5.960 7.053 1.00 13.34 C ATOM 426 H LEU A 43 15.205 1.813 6.852 1.00 0.00 H ATOM 427 N GLN A 44 12.998 4.817 5.833 1.00 9.93 N ATOM 428 CA GLN A 44 12.194 4.927 4.620 1.00 9.83 C ATOM 429 C GLN A 44 11.908 6.366 4.284 1.00 9.37 C ATOM 430 O GLN A 44 11.485 7.102 5.150 1.00 9.60 O ATOM 431 CB GLN A 44 10.875 4.204 4.833 1.00 10.14 C ATOM 432 CG GLN A 44 10.015 4.050 3.591 1.00 10.93 C ATOM 433 CD GLN A 44 8.791 3.203 3.875 1.00 11.82 C ATOM 434 OE1 GLN A 44 8.612 2.706 5.018 1.00 13.99 O ATOM 435 NE2 GLN A 44 7.924 3.038 2.877 1.00 11.75 N ATOM 436 HE22 GLN A 44 8.112 3.467 1.948 1.00 0.00 H ATOM 437 HE21 GLN A 44 7.059 2.480 3.027 1.00 0.00 H ATOM 438 H GLN A 44 12.674 5.302 6.694 1.00 0.00 H ATOM 439 N VAL A 45 12.176 6.744 3.036 1.00 8.78 N ATOM 440 CA VAL A 45 12.124 8.138 2.603 1.00 8.74 C ATOM 441 C VAL A 45 11.466 8.237 1.251 1.00 8.50 C ATOM 442 O VAL A 45 11.461 7.269 0.494 1.00 8.62 O ATOM 443 CB VAL A 45 13.530 8.782 2.554 1.00 8.78 C ATOM 444 CG1 VAL A 45 14.164 8.826 3.937 1.00 9.03 C ATOM 445 CG2 VAL A 45 14.444 8.037 1.592 1.00 9.28 C ATOM 446 H VAL A 45 12.433 6.016 2.340 1.00 0.00 H ATOM 447 N ALA A 46 10.853 9.372 0.942 1.00 7.95 N ATOM 448 CA ALA A 46 10.291 9.559 -0.391 1.00 8.22 C ATOM 449 C ALA A 46 10.098 11.029 -0.688 1.00 8.26 C ATOM 450 O ALA A 46 9.849 11.814 0.215 1.00 8.03 O ATOM 451 CB ALA A 46 8.944 8.879 -0.504 1.00 8.61 C ATOM 452 H ALA A 46 10.773 10.129 1.651 1.00 0.00 H ATOM 453 N PRO A 47 10.143 11.393 -1.970 1.00 8.67 N ATOM 454 CA PRO A 47 9.610 12.722 -2.326 1.00 9.14 C ATOM 455 C PRO A 47 8.189 12.853 -1.839 1.00 9.35 C ATOM 456 O PRO A 47 7.432 11.897 -1.947 1.00 9.06 O ATOM 457 CB PRO A 47 9.620 12.701 -3.855 1.00 9.37 C ATOM 458 CG PRO A 47 10.653 11.684 -4.206 1.00 9.38 C ATOM 459 CD PRO A 47 10.553 10.635 -3.164 1.00 9.15 C ATOM 460 N LYS A 48 7.843 14.017 -1.273 1.00 9.67 N ATOM 461 CA LYS A 48 6.528 14.210 -0.678 1.00 10.22 C ATOM 462 C LYS A 48 5.386 13.833 -1.612 1.00 10.25 C ATOM 463 O LYS A 48 5.280 14.368 -2.720 1.00 10.30 O ATOM 464 CB LYS A 48 6.360 15.665 -0.171 1.00 11.01 C ATOM 465 CG LYS A 48 5.101 15.834 0.705 1.00 10.70 C ATOM 466 CD LYS A 48 4.898 17.270 1.142 1.00 11.08 C ATOM 467 CE LYS A 48 5.944 17.689 2.165 1.00 10.89 C ATOM 468 NZ LYS A 48 5.757 17.069 3.505 1.00 11.57 N ATOM 469 HZ1 LYS A 48 4.828 17.340 3.885 1.00 0.00 H ATOM 470 HZ2 LYS A 48 5.808 16.034 3.417 1.00 0.00 H ATOM 471 HZ3 LYS A 48 6.505 17.401 4.147 1.00 0.00 H ATOM 472 H LYS A 48 8.528 14.799 -1.258 1.00 0.00 H ATOM 473 N GLY A 49 4.514 12.947 -1.142 1.00 10.44 N ATOM 474 CA GLY A 49 3.380 12.529 -1.923 1.00 10.83 C ATOM 475 C GLY A 49 3.632 11.470 -2.980 1.00 11.01 C ATOM 476 O GLY A 49 2.676 11.046 -3.638 1.00 12.74 O ATOM 477 H GLY A 49 4.654 12.548 -0.192 1.00 0.00 H ATOM 478 N ALA A 50 4.854 10.956 -3.078 1.00 10.49 N ATOM 479 CA ALA A 50 5.172 9.959 -4.123 1.00 10.57 C ATOM 480 C ALA A 50 4.673 8.576 -3.714 1.00 10.07 C ATOM 481 O ALA A 50 4.746 8.215 -2.552 1.00 9.88 O ATOM 482 CB ALA A 50 6.655 9.918 -4.403 1.00 10.67 C ATOM 483 H ALA A 50 5.594 11.258 -2.413 1.00 0.00 H ATOM 484 N ASP A 51 4.199 7.805 -4.688 1.00 10.47 N ATOM 485 CA ASP A 51 3.672 6.468 -4.444 1.00 10.35 C ATOM 486 C ASP A 51 4.768 5.475 -4.089 1.00 9.73 C ATOM 487 O ASP A 51 4.576 4.576 -3.270 1.00 10.06 O ATOM 488 CB ASP A 51 2.925 5.960 -5.681 1.00 11.78 C ATOM 489 CG ASP A 51 1.713 6.813 -6.030 1.00 13.15 C ATOM 490 OD1 ASP A 51 1.045 7.347 -5.132 1.00 17.76 O ATOM 491 OD2 ASP A 51 1.411 6.968 -7.211 1.00 15.65 O ATOM 492 H ASP A 51 4.204 8.170 -5.662 1.00 0.00 H ATOM 493 N THR A 52 5.930 5.635 -4.722 1.00 8.41 N ATOM 494 CA THR A 52 7.034 4.695 -4.538 1.00 8.12 C ATOM 495 C THR A 52 8.099 5.308 -3.659 1.00 7.89 C ATOM 496 O THR A 52 8.598 6.393 -3.953 1.00 8.92 O ATOM 497 CB THR A 52 7.676 4.334 -5.894 1.00 7.96 C ATOM 498 OG1 THR A 52 6.676 3.822 -6.772 1.00 8.29 O ATOM 499 CG2 THR A 52 8.762 3.314 -5.709 1.00 7.97 C ATOM 500 HG1 THR A 52 6.271 3.012 -6.372 1.00 0.00 H ATOM 501 H THR A 52 6.054 6.446 -5.361 1.00 0.00 H ATOM 502 N SER A 53 8.465 4.620 -2.572 1.00 7.98 N ATOM 503 CA SER A 53 9.449 5.120 -1.642 1.00 7.86 C ATOM 504 C SER A 53 10.755 4.314 -1.698 1.00 7.84 C ATOM 505 O SER A 53 10.870 3.346 -2.476 1.00 7.32 O ATOM 506 CB SER A 53 8.868 5.130 -0.229 1.00 8.08 C ATOM 507 OG SER A 53 8.450 3.840 0.149 1.00 8.31 O ATOM 508 HG SER A 53 7.755 3.522 -0.480 1.00 0.00 H ATOM 509 H SER A 53 8.026 3.695 -2.391 1.00 0.00 H ATOM 510 N LEU A 54 11.749 4.805 -0.963 1.00 7.82 N ATOM 511 CA LEU A 54 13.109 4.262 -0.932 1.00 8.26 C ATOM 512 C LEU A 54 13.438 3.868 0.501 1.00 8.03 C ATOM 513 O LEU A 54 13.215 4.641 1.440 1.00 8.75 O ATOM 514 CB LEU A 54 14.125 5.316 -1.413 1.00 8.91 C ATOM 515 CG LEU A 54 13.897 5.861 -2.847 1.00 10.04 C ATOM 516 CD1 LEU A 54 12.843 6.951 -2.875 1.00 10.56 C ATOM 517 CD2 LEU A 54 15.178 6.428 -3.414 1.00 10.91 C ATOM 518 H LEU A 54 11.546 5.633 -0.368 1.00 0.00 H ATOM 519 N VAL A 55 14.020 2.675 0.665 1.00 8.05 N ATOM 520 CA VAL A 55 14.446 2.195 1.976 1.00 8.35 C ATOM 521 C VAL A 55 15.960 2.203 1.956 1.00 8.12 C ATOM 522 O VAL A 55 16.580 1.639 1.041 1.00 8.27 O ATOM 523 CB VAL A 55 13.869 0.819 2.294 1.00 9.19 C ATOM 524 CG1 VAL A 55 14.186 0.442 3.717 1.00 9.64 C ATOM 525 CG2 VAL A 55 12.357 0.820 2.148 1.00 9.37 C ATOM 526 H VAL A 55 14.174 2.071 -0.167 1.00 0.00 H ATOM 527 N LEU A 56 16.527 2.858 2.962 1.00 8.45 N ATOM 528 CA LEU A 56 17.960 3.073 3.045 1.00 9.01 C ATOM 529 C LEU A 56 18.538 1.995 3.943 1.00 9.97 C ATOM 530 O LEU A 56 18.537 2.150 5.188 1.00 10.17 O ATOM 531 CB LEU A 56 18.263 4.491 3.538 1.00 9.30 C ATOM 532 CG LEU A 56 17.553 5.620 2.774 1.00 9.48 C ATOM 533 CD1 LEU A 56 17.969 6.968 3.347 1.00 10.09 C ATOM 534 CD2 LEU A 56 17.837 5.592 1.296 1.00 9.93 C ATOM 535 H LEU A 56 15.921 3.232 3.720 1.00 0.00 H ATOM 536 N VAL A 57 19.046 0.927 3.306 1.00 10.49 N ATOM 537 CA VAL A 57 19.261 -0.380 3.950 1.00 12.32 C ATOM 538 C VAL A 57 20.736 -0.658 4.017 1.00 12.07 C ATOM 539 O VAL A 57 21.477 -0.261 3.123 1.00 11.79 O ATOM 540 CB VAL A 57 18.602 -1.561 3.138 1.00 12.67 C ATOM 541 CG1 VAL A 57 17.103 -1.368 3.012 1.00 14.11 C ATOM 542 CG2 VAL A 57 19.223 -1.750 1.734 1.00 14.13 C ATOM 543 H VAL A 57 19.302 1.029 2.303 1.00 0.00 H ATOM 544 N ASP A 58 21.168 -1.394 5.044 1.00 12.70 N ATOM 545 CA ASP A 58 22.533 -1.838 5.128 1.00 13.93 C ATOM 546 C ASP A 58 22.606 -3.345 5.301 1.00 13.91 C ATOM 547 O ASP A 58 23.677 -3.861 5.615 1.00 16.26 O ATOM 548 CB ASP A 58 23.253 -1.097 6.275 1.00 14.74 C ATOM 549 CG ASP A 58 22.805 -1.558 7.648 1.00 16.55 C ATOM 550 OD1 ASP A 58 21.714 -2.129 7.778 1.00 16.55 O ATOM 551 OD2 ASP A 58 23.554 -1.325 8.619 1.00 19.87 O ATOM 552 H ASP A 58 20.502 -1.652 5.800 1.00 0.00 H ATOM 553 N TRP A 59 21.504 -4.049 5.054 1.00 13.19 N ATOM 554 CA TRP A 59 21.436 -5.479 5.426 1.00 14.28 C ATOM 555 C TRP A 59 21.350 -6.468 4.269 1.00 13.67 C ATOM 556 O TRP A 59 21.104 -7.657 4.507 1.00 13.82 O ATOM 557 CB TRP A 59 20.329 -5.742 6.439 1.00 16.04 C ATOM 558 CG TRP A 59 19.011 -5.356 5.996 1.00 17.51 C ATOM 559 CD1 TRP A 59 18.200 -6.034 5.141 1.00 18.42 C ATOM 560 CD2 TRP A 59 18.311 -4.188 6.384 1.00 18.62 C ATOM 561 NE1 TRP A 59 17.031 -5.347 4.954 1.00 20.81 N ATOM 562 CE2 TRP A 59 17.066 -4.212 5.724 1.00 19.50 C ATOM 563 CE3 TRP A 59 18.613 -3.116 7.233 1.00 20.59 C ATOM 564 CZ2 TRP A 59 16.129 -3.194 5.858 1.00 20.36 C ATOM 565 CZ3 TRP A 59 17.704 -2.108 7.347 1.00 20.60 C ATOM 566 CH2 TRP A 59 16.460 -2.158 6.691 1.00 20.26 C ATOM 567 HE1 TRP A 59 16.248 -5.636 4.333 1.00 0.00 H ATOM 568 H TRP A 59 20.688 -3.592 4.598 1.00 0.00 H ATOM 569 N PHE A 60 21.548 -6.020 3.029 1.00 12.61 N ATOM 570 CA PHE A 60 21.565 -6.953 1.899 1.00 12.85 C ATOM 571 C PHE A 60 22.988 -7.127 1.388 1.00 13.11 C ATOM 572 O PHE A 60 23.479 -6.270 0.658 1.00 12.56 O ATOM 573 CB PHE A 60 20.650 -6.470 0.781 1.00 12.47 C ATOM 574 CG PHE A 60 19.188 -6.429 1.156 1.00 12.00 C ATOM 575 CD1 PHE A 60 18.531 -7.561 1.660 1.00 12.20 C ATOM 576 CD2 PHE A 60 18.446 -5.257 0.980 1.00 12.69 C ATOM 577 CE1 PHE A 60 17.189 -7.511 1.996 1.00 12.77 C ATOM 578 CE2 PHE A 60 17.101 -5.209 1.321 1.00 12.89 C ATOM 579 CZ PHE A 60 16.476 -6.344 1.825 1.00 12.94 C ATOM 580 H PHE A 60 21.691 -5.003 2.863 1.00 0.00 H ATOM 581 N PRO A 61 23.658 -8.252 1.758 1.00 14.89 N ATOM 582 CA PRO A 61 25.022 -8.484 1.327 1.00 15.64 C ATOM 583 C PRO A 61 25.266 -8.387 -0.196 1.00 14.41 C ATOM 584 O PRO A 61 26.373 -8.024 -0.628 1.00 14.45 O ATOM 585 CB PRO A 61 25.286 -9.919 1.814 1.00 16.42 C ATOM 586 CG PRO A 61 24.473 -10.069 3.010 1.00 17.39 C ATOM 587 CD PRO A 61 23.249 -9.220 2.785 1.00 16.46 C ATOM 588 N THR A 62 24.261 -8.761 -0.983 1.00 12.91 N ATOM 589 CA THR A 62 24.362 -8.722 -2.441 1.00 11.98 C ATOM 590 C THR A 62 24.233 -7.311 -3.032 1.00 11.68 C ATOM 591 O THR A 62 24.463 -7.132 -4.216 1.00 11.87 O ATOM 592 CB THR A 62 23.359 -9.681 -3.113 1.00 11.69 C ATOM 593 OG1 THR A 62 22.018 -9.323 -2.788 1.00 12.11 O ATOM 594 CG2 THR A 62 23.591 -11.107 -2.644 1.00 11.84 C ATOM 595 HG1 THR A 62 21.894 -9.368 -1.807 1.00 0.00 H ATOM 596 H THR A 62 23.376 -9.091 -0.548 1.00 0.00 H ATOM 597 N MET A 63 23.893 -6.330 -2.195 1.00 11.36 N ATOM 598 CA MET A 63 23.873 -4.922 -2.582 1.00 11.35 C ATOM 599 C MET A 63 24.846 -4.159 -1.690 1.00 11.23 C ATOM 600 O MET A 63 24.455 -3.613 -0.648 1.00 10.87 O ATOM 601 CB MET A 63 22.443 -4.383 -2.427 1.00 11.42 C ATOM 602 CG MET A 63 21.431 -5.083 -3.299 1.00 11.55 C ATOM 603 SD MET A 63 19.734 -4.617 -2.903 1.00 12.27 S ATOM 604 CE MET A 63 19.776 -2.857 -3.199 1.00 14.36 C ATOM 605 H MET A 63 23.630 -6.580 -1.220 1.00 0.00 H ATOM 606 N PRO A 64 26.142 -4.128 -2.075 1.00 12.16 N ATOM 607 CA PRO A 64 27.117 -3.408 -1.249 1.00 12.93 C ATOM 608 C PRO A 64 26.785 -1.913 -1.154 1.00 12.41 C ATOM 609 O PRO A 64 26.242 -1.353 -2.080 1.00 12.07 O ATOM 610 CB PRO A 64 28.437 -3.596 -1.998 1.00 13.61 C ATOM 611 CG PRO A 64 28.246 -4.819 -2.801 1.00 13.39 C ATOM 612 CD PRO A 64 26.792 -4.866 -3.173 1.00 13.00 C ATOM 613 N PRO A 65 27.137 -1.265 -0.042 1.00 12.73 N ATOM 614 CA PRO A 65 26.915 0.175 0.022 1.00 12.13 C ATOM 615 C PRO A 65 27.489 0.909 -1.171 1.00 11.30 C ATOM 616 O PRO A 65 28.646 0.663 -1.588 1.00 11.75 O ATOM 617 CB PRO A 65 27.642 0.615 1.290 1.00 12.61 C ATOM 618 CG PRO A 65 28.031 -0.617 2.011 1.00 14.12 C ATOM 619 CD PRO A 65 27.821 -1.805 1.143 1.00 13.56 C ATOM 620 N GLY A 66 26.686 1.806 -1.732 1.00 10.08 N ATOM 621 CA GLY A 66 27.143 2.642 -2.797 1.00 10.35 C ATOM 622 C GLY A 66 27.116 2.015 -4.171 1.00 10.31 C ATOM 623 O GLY A 66 27.575 2.637 -5.120 1.00 10.47 O ATOM 624 H GLY A 66 25.708 1.902 -1.390 1.00 0.00 H ATOM 625 N SER A 67 26.566 0.807 -4.278 1.00 9.76 N ATOM 626 CA SER A 67 26.585 0.051 -5.543 1.00 10.07 C ATOM 627 C SER A 67 25.455 0.392 -6.516 1.00 9.63 C ATOM 628 O SER A 67 25.461 -0.068 -7.659 1.00 9.27 O ATOM 629 CB SER A 67 26.534 -1.456 -5.257 1.00 10.15 C ATOM 630 OG SER A 67 25.365 -1.820 -4.568 1.00 10.30 O ATOM 631 HG SER A 67 25.329 -1.339 -3.704 1.00 0.00 H ATOM 632 H SER A 67 26.110 0.385 -3.444 1.00 0.00 H ATOM 633 N LEU A 68 24.459 1.147 -6.074 1.00 9.21 N ATOM 634 CA LEU A 68 23.272 1.385 -6.914 1.00 9.45 C ATOM 635 C LEU A 68 23.551 2.386 -8.022 1.00 9.11 C ATOM 636 O LEU A 68 24.252 3.384 -7.816 1.00 8.96 O ATOM 637 CB LEU A 68 22.103 1.850 -6.042 1.00 10.17 C ATOM 638 CG LEU A 68 20.769 2.172 -6.719 1.00 10.99 C ATOM 639 CD1 LEU A 68 19.568 1.799 -5.861 1.00 10.92 C ATOM 640 CD2 LEU A 68 20.700 3.632 -7.190 1.00 11.71 C ATOM 641 H LEU A 68 24.516 1.574 -5.128 1.00 0.00 H ATOM 642 N ARG A 69 23.020 2.083 -9.204 1.00 8.38 N ATOM 643 CA ARG A 69 23.075 2.938 -10.374 1.00 8.82 C ATOM 644 C ARG A 69 21.713 2.914 -11.043 1.00 8.45 C ATOM 645 O ARG A 69 20.876 2.060 -10.745 1.00 8.22 O ATOM 646 CB ARG A 69 24.096 2.400 -11.374 1.00 9.04 C ATOM 647 CG ARG A 69 25.511 2.226 -10.854 1.00 9.86 C ATOM 648 CD ARG A 69 26.226 3.526 -10.602 1.00 10.33 C ATOM 649 NE ARG A 69 27.597 3.282 -10.173 1.00 11.15 N ATOM 650 CZ ARG A 69 27.988 3.055 -8.913 1.00 12.23 C ATOM 651 NH1 ARG A 69 29.282 2.826 -8.654 1.00 13.82 N ATOM 652 NH2 ARG A 69 27.126 3.023 -7.901 1.00 11.57 N ATOM 653 HE ARG A 69 28.334 3.284 -10.907 1.00 0.00 H ATOM 654 HH12 ARG A 69 29.593 2.649 -7.678 1.00 0.00 H ATOM 655 HH11 ARG A 69 29.975 2.825 -9.429 1.00 0.00 H ATOM 656 HH22 ARG A 69 27.465 2.844 -6.934 1.00 0.00 H ATOM 657 HH21 ARG A 69 26.113 3.177 -8.076 1.00 0.00 H ATOM 658 H ARG A 69 22.532 1.169 -9.295 1.00 0.00 H ATOM 659 N GLY A 70 21.506 3.822 -11.990 1.00 8.68 N ATOM 660 CA GLY A 70 20.320 3.746 -12.866 1.00 9.43 C ATOM 661 C GLY A 70 19.024 4.169 -12.198 1.00 9.68 C ATOM 662 O GLY A 70 17.937 3.637 -12.504 1.00 10.33 O ATOM 663 H GLY A 70 22.188 4.597 -12.116 1.00 0.00 H ATOM 664 N LEU A 71 19.142 5.097 -11.262 1.00 10.06 N ATOM 665 CA LEU A 71 18.012 5.678 -10.531 1.00 10.77 C ATOM 666 C LEU A 71 17.775 7.097 -11.047 1.00 10.83 C ATOM 667 O LEU A 71 18.683 7.934 -11.044 1.00 10.93 O ATOM 668 CB LEU A 71 18.299 5.660 -9.036 1.00 11.88 C ATOM 669 CG LEU A 71 17.401 6.446 -8.080 1.00 13.77 C ATOM 670 CD1 LEU A 71 15.968 5.959 -8.095 1.00 14.69 C ATOM 671 CD2 LEU A 71 17.995 6.361 -6.686 1.00 14.86 C ATOM 672 H LEU A 71 20.098 5.436 -11.030 1.00 0.00 H ATOM 673 N LEU A 72 16.555 7.391 -11.470 1.00 10.00 N ATOM 674 CA LEU A 72 16.225 8.690 -11.991 1.00 10.03 C ATOM 675 C LEU A 72 15.016 9.286 -11.282 1.00 9.01 C ATOM 676 O LEU A 72 13.969 8.652 -11.217 1.00 8.14 O ATOM 677 CB LEU A 72 15.894 8.530 -13.459 1.00 11.97 C ATOM 678 CG LEU A 72 15.904 9.749 -14.321 1.00 13.56 C ATOM 679 CD1 LEU A 72 17.273 10.422 -14.372 1.00 14.37 C ATOM 680 CD2 LEU A 72 15.484 9.257 -15.699 1.00 14.50 C ATOM 681 H LEU A 72 15.815 6.662 -11.424 1.00 0.00 H ATOM 682 N LEU A 73 15.193 10.477 -10.750 1.00 8.60 N ATOM 683 CA LEU A 73 14.113 11.221 -10.088 1.00 8.96 C ATOM 684 C LEU A 73 13.501 12.226 -11.050 1.00 9.51 C ATOM 685 O LEU A 73 14.222 13.005 -11.684 1.00 9.04 O ATOM 686 CB LEU A 73 14.671 11.963 -8.865 1.00 8.70 C ATOM 687 CG LEU A 73 15.512 11.130 -7.886 1.00 8.92 C ATOM 688 CD1 LEU A 73 16.037 12.039 -6.778 1.00 9.00 C ATOM 689 CD2 LEU A 73 14.718 9.959 -7.315 1.00 9.24 C ATOM 690 H LEU A 73 16.137 10.910 -10.800 1.00 0.00 H ATOM 691 N ARG A 74 12.182 12.228 -11.147 1.00 10.32 N ATOM 692 CA ARG A 74 11.490 13.240 -11.968 1.00 11.45 C ATOM 693 C ARG A 74 11.410 14.532 -11.204 1.00 11.56 C ATOM 694 O ARG A 74 11.063 14.527 -10.018 1.00 11.14 O ATOM 695 CB ARG A 74 10.075 12.796 -12.338 1.00 13.81 C ATOM 696 CG ARG A 74 9.369 13.791 -13.278 1.00 17.69 C ATOM 697 CD ARG A 74 7.995 13.314 -13.686 1.00 22.44 C ATOM 698 NE ARG A 74 7.611 13.740 -15.032 1.00 27.99 N ATOM 699 CZ ARG A 74 7.093 14.925 -15.359 1.00 32.29 C ATOM 700 NH1 ARG A 74 6.901 15.883 -14.450 1.00 35.76 N ATOM 701 NH2 ARG A 74 6.780 15.168 -16.635 1.00 33.48 N ATOM 702 HE ARG A 74 7.755 13.057 -15.803 1.00 0.00 H ATOM 703 HH12 ARG A 74 6.495 16.797 -14.736 1.00 0.00 H ATOM 704 HH11 ARG A 74 7.157 15.716 -13.456 1.00 0.00 H ATOM 705 HH22 ARG A 74 6.375 16.087 -16.905 1.00 0.00 H ATOM 706 HH21 ARG A 74 6.941 14.438 -17.358 1.00 0.00 H ATOM 707 H ARG A 74 11.627 11.509 -10.640 1.00 0.00 H ATOM 708 N THR A 75 11.740 15.633 -11.880 1.00 10.97 N ATOM 709 CA THR A 75 11.643 16.952 -11.276 1.00 11.78 C ATOM 710 C THR A 75 10.925 17.882 -12.228 1.00 12.45 C ATOM 711 O THR A 75 11.008 17.726 -13.419 1.00 12.06 O ATOM 712 CB THR A 75 13.024 17.530 -10.863 1.00 11.52 C ATOM 713 OG1 THR A 75 12.849 18.880 -10.424 1.00 11.39 O ATOM 714 CG2 THR A 75 14.014 17.473 -11.989 1.00 11.77 C ATOM 715 HG1 THR A 75 13.726 19.256 -10.159 1.00 0.00 H ATOM 716 H THR A 75 12.074 15.546 -12.861 1.00 0.00 H ATOM 717 N ASP A 76 10.203 18.837 -11.659 1.00 15.05 N ATOM 718 CA ASP A 76 9.550 19.875 -12.447 1.00 17.15 C ATOM 719 C ASP A 76 10.474 21.062 -12.722 1.00 17.19 C ATOM 720 O ASP A 76 10.104 21.954 -13.477 1.00 19.20 O ATOM 721 CB ASP A 76 8.284 20.343 -11.731 1.00 19.52 C ATOM 722 CG ASP A 76 7.293 19.227 -11.532 1.00 22.44 C ATOM 723 OD1 ASP A 76 7.118 18.431 -12.471 1.00 24.77 O ATOM 724 OD2 ASP A 76 6.686 19.136 -10.448 1.00 27.76 O ATOM 725 H ASP A 76 10.100 18.846 -10.624 1.00 0.00 H ATOM 726 N ASP A 77 11.671 21.085 -12.139 1.00 15.61 N ATOM 727 CA ASP A 77 12.604 22.195 -12.365 1.00 15.45 C ATOM 728 C ASP A 77 14.024 21.725 -12.072 1.00 13.67 C ATOM 729 O ASP A 77 14.560 21.955 -10.983 1.00 12.90 O ATOM 730 CB ASP A 77 12.227 23.404 -11.496 1.00 16.13 C ATOM 731 CG ASP A 77 12.950 24.690 -11.920 1.00 17.20 C ATOM 732 OD1 ASP A 77 13.981 24.660 -12.629 1.00 18.32 O ATOM 733 OD2 ASP A 77 12.464 25.767 -11.514 1.00 21.01 O ATOM 734 H ASP A 77 11.949 20.303 -11.513 1.00 0.00 H ATOM 735 N VAL A 78 14.597 21.046 -13.055 1.00 12.83 N ATOM 736 CA VAL A 78 15.949 20.515 -12.919 1.00 12.28 C ATOM 737 C VAL A 78 17.005 21.614 -12.699 1.00 12.93 C ATOM 738 O VAL A 78 17.906 21.440 -11.886 1.00 12.59 O ATOM 739 CB VAL A 78 16.328 19.580 -14.088 1.00 12.28 C ATOM 740 CG1 VAL A 78 16.496 20.343 -15.401 1.00 12.19 C ATOM 741 CG2 VAL A 78 17.584 18.791 -13.767 1.00 12.15 C ATOM 742 H VAL A 78 14.073 20.889 -13.940 1.00 0.00 H ATOM 743 N ASP A 79 16.884 22.754 -13.384 1.00 14.12 N ATOM 744 CA ASP A 79 17.869 23.819 -13.189 1.00 15.20 C ATOM 745 C ASP A 79 17.852 24.367 -11.762 1.00 14.38 C ATOM 746 O ASP A 79 18.899 24.548 -11.154 1.00 13.79 O ATOM 747 CB ASP A 79 17.638 24.968 -14.181 1.00 16.73 C ATOM 748 CG ASP A 79 17.942 24.589 -15.619 1.00 18.87 C ATOM 749 OD1 ASP A 79 18.541 23.521 -15.933 1.00 18.86 O ATOM 750 OD2 ASP A 79 17.578 25.403 -16.485 1.00 20.64 O ATOM 751 H ASP A 79 16.096 22.884 -14.051 1.00 0.00 H ATOM 752 N ALA A 80 16.668 24.641 -11.228 1.00 14.54 N ATOM 753 CA ALA A 80 16.564 25.150 -9.852 1.00 14.56 C ATOM 754 C ALA A 80 17.037 24.083 -8.843 1.00 14.04 C ATOM 755 O ALA A 80 17.709 24.399 -7.856 1.00 14.83 O ATOM 756 CB ALA A 80 15.152 25.615 -9.542 1.00 15.02 C ATOM 757 H ALA A 80 15.804 24.494 -11.789 1.00 0.00 H ATOM 758 N ASP A 81 16.679 22.823 -9.101 1.00 13.32 N ATOM 759 CA ASP A 81 17.155 21.734 -8.223 1.00 12.92 C ATOM 760 C ASP A 81 18.662 21.575 -8.225 1.00 13.23 C ATOM 761 O ASP A 81 19.258 21.315 -7.167 1.00 12.56 O ATOM 762 CB ASP A 81 16.500 20.395 -8.594 1.00 13.07 C ATOM 763 CG ASP A 81 15.087 20.293 -8.106 1.00 13.44 C ATOM 764 OD1 ASP A 81 14.618 21.145 -7.307 1.00 14.04 O ATOM 765 OD2 ASP A 81 14.411 19.326 -8.492 1.00 14.69 O ATOM 766 H ASP A 81 16.069 22.609 -9.915 1.00 0.00 H ATOM 767 N CYS A 82 19.280 21.702 -9.392 1.00 13.73 N ATOM 768 CA CYS A 82 20.727 21.623 -9.490 1.00 13.46 C ATOM 769 C CYS A 82 21.355 22.779 -8.728 1.00 13.70 C ATOM 770 O CYS A 82 22.305 22.573 -7.998 1.00 13.29 O ATOM 771 CB CYS A 82 21.205 21.594 -10.944 1.00 14.30 C ATOM 772 SG CYS A 82 20.816 20.029 -11.766 1.00 15.17 S ATOM 773 H CYS A 82 18.718 21.861 -10.253 1.00 0.00 H ATOM 774 N ALA A 83 20.788 23.977 -8.860 1.00 13.01 N ATOM 775 CA ALA A 83 21.329 25.131 -8.135 1.00 12.96 C ATOM 776 C ALA A 83 21.208 24.956 -6.617 1.00 12.59 C ATOM 777 O ALA A 83 22.145 25.269 -5.873 1.00 13.53 O ATOM 778 CB ALA A 83 20.666 26.426 -8.595 1.00 13.13 C ATOM 779 H ALA A 83 19.960 24.094 -9.478 1.00 0.00 H ATOM 780 N ARG A 84 20.080 24.421 -6.162 1.00 11.76 N ATOM 781 CA ARG A 84 19.898 24.120 -4.751 1.00 12.04 C ATOM 782 C ARG A 84 20.899 23.056 -4.265 1.00 11.48 C ATOM 783 O ARG A 84 21.464 23.168 -3.173 1.00 11.43 O ATOM 784 CB ARG A 84 18.471 23.630 -4.456 1.00 13.48 C ATOM 785 CG ARG A 84 17.447 24.753 -4.347 1.00 15.14 C ATOM 786 CD ARG A 84 16.063 24.231 -3.989 1.00 16.62 C ATOM 787 NE ARG A 84 15.385 23.722 -5.169 1.00 17.92 N ATOM 788 CZ ARG A 84 14.573 24.411 -5.970 1.00 19.12 C ATOM 789 NH1 ARG A 84 14.267 25.694 -5.722 1.00 20.25 N ATOM 790 NH2 ARG A 84 14.037 23.803 -7.017 1.00 19.25 N ATOM 791 HE ARG A 84 15.549 22.724 -5.412 1.00 0.00 H ATOM 792 HH12 ARG A 84 13.631 26.210 -6.363 1.00 0.00 H ATOM 793 HH11 ARG A 84 14.666 26.172 -4.889 1.00 0.00 H ATOM 794 HH22 ARG A 84 13.401 24.326 -7.653 1.00 0.00 H ATOM 795 HH21 ARG A 84 14.252 22.803 -7.204 1.00 0.00 H ATOM 796 H ARG A 84 19.310 24.213 -6.830 1.00 0.00 H ATOM 797 N LEU A 85 21.054 21.983 -5.034 1.00 11.17 N ATOM 798 CA LEU A 85 21.988 20.938 -4.623 1.00 11.33 C ATOM 799 C LEU A 85 23.411 21.460 -4.505 1.00 12.21 C ATOM 800 O LEU A 85 24.129 21.110 -3.580 1.00 11.90 O ATOM 801 CB LEU A 85 21.933 19.748 -5.574 1.00 11.62 C ATOM 802 CG LEU A 85 20.721 18.834 -5.446 1.00 11.63 C ATOM 803 CD1 LEU A 85 20.721 17.862 -6.626 1.00 11.42 C ATOM 804 CD2 LEU A 85 20.652 18.064 -4.131 1.00 11.80 C ATOM 805 H LEU A 85 20.516 21.889 -5.919 1.00 0.00 H ATOM 806 N GLN A 86 23.816 22.279 -5.467 1.00 12.93 N ATOM 807 CA GLN A 86 25.146 22.865 -5.461 1.00 14.50 C ATOM 808 C GLN A 86 25.308 23.742 -4.211 1.00 14.11 C ATOM 809 O GLN A 86 26.318 23.650 -3.506 1.00 13.17 O ATOM 810 CB GLN A 86 25.336 23.652 -6.752 1.00 16.41 C ATOM 811 CG GLN A 86 26.585 24.494 -6.830 1.00 19.03 C ATOM 812 CD GLN A 86 26.698 25.228 -8.151 1.00 21.28 C ATOM 813 OE1 GLN A 86 25.803 25.991 -8.533 1.00 23.68 O ATOM 814 NE2 GLN A 86 27.804 25.036 -8.839 1.00 23.96 N ATOM 815 HE22 GLN A 86 28.532 24.385 -8.482 1.00 0.00 H ATOM 816 HE21 GLN A 86 27.949 25.535 -9.740 1.00 0.00 H ATOM 817 H GLN A 86 23.165 22.508 -6.245 1.00 0.00 H ATOM 818 N GLU A 87 24.303 24.563 -3.930 1.00 13.87 N ATOM 819 CA GLU A 87 24.334 25.384 -2.714 1.00 15.30 C ATOM 820 C GLU A 87 24.389 24.558 -1.427 1.00 14.28 C ATOM 821 O GLU A 87 25.002 24.957 -0.444 1.00 14.39 O ATOM 822 CB GLU A 87 23.142 26.338 -2.658 1.00 17.87 C ATOM 823 CG GLU A 87 23.329 27.397 -1.568 1.00 20.59 C ATOM 824 CD GLU A 87 22.149 28.316 -1.399 1.00 23.66 C ATOM 825 OE1 GLU A 87 21.501 28.656 -2.420 1.00 27.93 O ATOM 826 OE2 GLU A 87 21.884 28.712 -0.231 1.00 27.11 O ATOM 827 H GLU A 87 23.490 24.625 -4.575 1.00 0.00 H ATOM 828 N ARG A 88 23.736 23.394 -1.428 1.00 12.41 N ATOM 829 CA ARG A 88 23.714 22.516 -0.283 1.00 11.81 C ATOM 830 C ARG A 88 24.926 21.574 -0.202 1.00 11.49 C ATOM 831 O ARG A 88 24.925 20.667 0.581 1.00 12.70 O ATOM 832 CB ARG A 88 22.405 21.702 -0.305 1.00 12.34 C ATOM 833 CG ARG A 88 21.158 22.575 -0.196 1.00 12.77 C ATOM 834 CD ARG A 88 19.908 21.751 -0.415 1.00 13.26 C ATOM 835 NE ARG A 88 18.715 22.598 -0.396 1.00 13.87 N ATOM 836 CZ ARG A 88 17.467 22.143 -0.301 1.00 14.28 C ATOM 837 NH1 ARG A 88 16.458 23.010 -0.310 1.00 14.45 N ATOM 838 NH2 ARG A 88 17.202 20.851 -0.194 1.00 13.67 N ATOM 839 HE ARG A 88 18.851 23.627 -0.461 1.00 0.00 H ATOM 840 HH12 ARG A 88 15.478 22.669 -0.237 1.00 0.00 H ATOM 841 HH11 ARG A 88 16.649 24.029 -0.391 1.00 0.00 H ATOM 842 HH22 ARG A 88 16.217 20.527 -0.122 1.00 0.00 H ATOM 843 HH21 ARG A 88 17.979 20.160 -0.182 1.00 0.00 H ATOM 844 H ARG A 88 23.223 23.109 -2.287 1.00 0.00 H ATOM 845 N GLY A 89 25.966 21.799 -1.001 1.00 10.97 N ATOM 846 CA GLY A 89 27.193 21.041 -0.885 1.00 10.25 C ATOM 847 C GLY A 89 27.264 19.746 -1.654 1.00 10.41 C ATOM 848 O GLY A 89 28.007 18.839 -1.279 1.00 10.29 O ATOM 849 H GLY A 89 25.895 22.539 -1.728 1.00 0.00 H ATOM 850 N VAL A 90 26.583 19.682 -2.789 1.00 10.03 N ATOM 851 CA VAL A 90 26.612 18.472 -3.593 1.00 9.97 C ATOM 852 C VAL A 90 27.172 18.759 -4.987 1.00 9.51 C ATOM 853 O VAL A 90 26.752 19.721 -5.648 1.00 10.22 O ATOM 854 CB VAL A 90 25.198 17.847 -3.697 1.00 10.35 C ATOM 855 CG1 VAL A 90 25.222 16.543 -4.501 1.00 10.97 C ATOM 856 CG2 VAL A 90 24.579 17.641 -2.317 1.00 10.51 C ATOM 857 H VAL A 90 26.026 20.501 -3.106 1.00 0.00 H ATOM 858 N ALA A 91 28.095 17.920 -5.440 1.00 9.52 N ATOM 859 CA ALA A 91 28.636 18.018 -6.793 1.00 9.99 C ATOM 860 C ALA A 91 27.590 17.505 -7.773 1.00 10.77 C ATOM 861 O ALA A 91 27.126 16.376 -7.634 1.00 11.02 O ATOM 862 CB ALA A 91 29.893 17.181 -6.927 1.00 9.75 C ATOM 863 H ALA A 91 28.444 17.169 -4.811 1.00 0.00 H ATOM 864 N VAL A 92 27.227 18.323 -8.743 1.00 11.29 N ATOM 865 CA VAL A 92 26.221 17.950 -9.726 1.00 12.19 C ATOM 866 C VAL A 92 26.854 17.954 -11.112 1.00 12.82 C ATOM 867 O VAL A 92 27.474 18.955 -11.522 1.00 12.20 O ATOM 868 CB VAL A 92 24.992 18.871 -9.682 1.00 13.04 C ATOM 869 CG1 VAL A 92 23.986 18.474 -10.766 1.00 13.71 C ATOM 870 CG2 VAL A 92 24.346 18.794 -8.319 1.00 12.88 C ATOM 871 H VAL A 92 27.672 19.261 -8.807 1.00 0.00 H ATOM 872 N ASP A 93 26.671 16.862 -11.839 1.00 13.56 N ATOM 873 CA ASP A 93 27.019 16.805 -13.270 1.00 15.93 C ATOM 874 C ASP A 93 25.787 17.118 -14.107 1.00 15.65 C ATOM 875 O ASP A 93 24.832 16.330 -14.139 1.00 16.18 O ATOM 876 CB ASP A 93 27.581 15.432 -13.614 1.00 18.41 C ATOM 877 CG ASP A 93 28.135 15.347 -15.058 1.00 23.53 C ATOM 878 OD1 ASP A 93 27.943 16.286 -15.857 1.00 26.67 O ATOM 879 OD2 ASP A 93 28.775 14.320 -15.395 1.00 30.43 O ATOM 880 H ASP A 93 26.269 16.017 -11.385 1.00 0.00 H ATOM 881 N GLY A 94 25.839 18.244 -14.809 1.00 16.68 N ATOM 882 CA GLY A 94 24.714 18.765 -15.552 1.00 16.81 C ATOM 883 C GLY A 94 24.217 20.093 -15.014 1.00 17.54 C ATOM 884 O GLY A 94 24.887 20.719 -14.196 1.00 18.09 O ATOM 885 H GLY A 94 26.732 18.777 -14.825 1.00 0.00 H ATOM 886 N PRO A 95 23.038 20.542 -15.435 1.00 17.93 N ATOM 887 CA PRO A 95 22.123 19.766 -16.259 1.00 18.69 C ATOM 888 C PRO A 95 22.530 19.668 -17.725 1.00 19.43 C ATOM 889 O PRO A 95 23.338 20.481 -18.201 1.00 18.14 O ATOM 890 CB PRO A 95 20.785 20.484 -16.103 1.00 19.59 C ATOM 891 CG PRO A 95 21.068 21.780 -15.461 1.00 20.66 C ATOM 892 CD PRO A 95 22.408 21.714 -14.819 1.00 19.65 C ATOM 893 N LYS A 96 22.000 18.659 -18.409 1.00 18.56 N ATOM 894 CA LYS A 96 22.213 18.482 -19.847 1.00 19.71 C ATOM 895 C LYS A 96 20.929 18.084 -20.548 1.00 19.37 C ATOM 896 O LYS A 96 20.103 17.382 -19.991 1.00 16.58 O ATOM 897 CB LYS A 96 23.282 17.442 -20.116 1.00 22.35 C ATOM 898 CG LYS A 96 22.937 16.026 -19.673 1.00 25.27 C ATOM 899 CD LYS A 96 24.170 15.133 -19.702 1.00 28.80 C ATOM 900 CE LYS A 96 23.797 13.657 -19.733 1.00 31.47 C ATOM 901 NZ LYS A 96 23.414 13.183 -21.098 1.00 32.72 N ATOM 902 HZ1 LYS A 96 22.593 13.725 -21.434 1.00 0.00 H ATOM 903 HZ2 LYS A 96 24.213 13.322 -21.749 1.00 0.00 H ATOM 904 HZ3 LYS A 96 23.171 12.173 -21.057 1.00 0.00 H ATOM 905 H LYS A 96 21.411 17.968 -17.903 1.00 0.00 H ATOM 906 N ASN A 97 20.775 18.511 -21.797 1.00 18.11 N ATOM 907 CA ASN A 97 19.608 18.112 -22.582 1.00 18.64 C ATOM 908 C ASN A 97 19.796 16.720 -23.169 1.00 18.59 C ATOM 909 O ASN A 97 20.871 16.375 -23.643 1.00 20.61 O ATOM 910 CB ASN A 97 19.365 19.151 -23.686 1.00 18.47 C ATOM 911 CG ASN A 97 18.852 20.468 -23.140 1.00 19.85 C ATOM 912 OD1 ASN A 97 18.160 20.505 -22.111 1.00 20.36 O ATOM 913 ND2 ASN A 97 19.190 21.572 -23.807 1.00 20.03 N ATOM 914 HD22 ASN A 97 19.772 21.503 -24.666 1.00 0.00 H ATOM 915 HD21 ASN A 97 18.872 22.502 -23.468 1.00 0.00 H ATOM 916 H ASN A 97 21.491 19.135 -22.220 1.00 0.00 H ATOM 917 N THR A 98 18.763 15.888 -23.086 1.00 18.29 N ATOM 918 CA THR A 98 18.774 14.579 -23.702 1.00 19.36 C ATOM 919 C THR A 98 17.481 14.442 -24.479 1.00 20.04 C ATOM 920 O THR A 98 16.546 15.228 -24.271 1.00 20.33 O ATOM 921 CB THR A 98 18.882 13.426 -22.661 1.00 19.77 C ATOM 922 OG1 THR A 98 17.598 13.186 -22.070 1.00 20.48 O ATOM 923 CG2 THR A 98 19.898 13.747 -21.586 1.00 19.64 C ATOM 924 HG1 THR A 98 17.285 14.009 -21.617 1.00 0.00 H ATOM 925 H THR A 98 17.918 16.188 -22.560 1.00 0.00 H ATOM 926 N PRO A 99 17.387 13.416 -25.330 1.00 22.65 N ATOM 927 CA PRO A 99 16.115 13.152 -25.996 1.00 23.51 C ATOM 928 C PRO A 99 14.935 12.906 -25.050 1.00 24.02 C ATOM 929 O PRO A 99 13.782 13.107 -25.453 1.00 26.25 O ATOM 930 CB PRO A 99 16.403 11.886 -26.814 1.00 23.97 C ATOM 931 CG PRO A 99 17.878 11.890 -27.022 1.00 24.94 C ATOM 932 CD PRO A 99 18.433 12.461 -25.748 1.00 23.82 C ATOM 933 N TRP A 100 15.204 12.501 -23.806 1.00 22.19 N ATOM 934 CA TRP A 100 14.133 12.149 -22.857 1.00 22.23 C ATOM 935 C TRP A 100 13.915 13.153 -21.724 1.00 20.60 C ATOM 936 O TRP A 100 13.157 12.869 -20.770 1.00 21.16 O ATOM 937 CB TRP A 100 14.422 10.768 -22.282 1.00 24.17 C ATOM 938 CG TRP A 100 14.513 9.781 -23.366 1.00 26.08 C ATOM 939 CD1 TRP A 100 13.477 9.158 -23.989 1.00 27.81 C ATOM 940 CD2 TRP A 100 15.706 9.333 -24.013 1.00 27.99 C ATOM 941 NE1 TRP A 100 13.949 8.336 -24.981 1.00 29.05 N ATOM 942 CE2 TRP A 100 15.316 8.417 -25.010 1.00 28.66 C ATOM 943 CE3 TRP A 100 17.075 9.593 -23.825 1.00 28.53 C ATOM 944 CZ2 TRP A 100 16.240 7.772 -25.836 1.00 29.93 C ATOM 945 CZ3 TRP A 100 17.993 8.956 -24.650 1.00 29.27 C ATOM 946 CH2 TRP A 100 17.569 8.048 -25.642 1.00 29.10 C ATOM 947 HE1 TRP A 100 13.364 7.748 -25.608 1.00 0.00 H ATOM 948 H TRP A 100 16.195 12.432 -23.499 1.00 0.00 H ATOM 949 N GLY A 101 14.561 14.315 -21.826 1.00 17.57 N ATOM 950 CA GLY A 101 14.413 15.377 -20.847 1.00 15.89 C ATOM 951 C GLY A 101 15.763 15.964 -20.466 1.00 14.73 C ATOM 952 O GLY A 101 16.809 15.470 -20.883 1.00 15.92 O ATOM 953 H GLY A 101 15.194 14.466 -22.637 1.00 0.00 H ATOM 954 N ARG A 102 15.715 16.990 -19.644 1.00 13.29 N ATOM 955 CA ARG A 102 16.911 17.685 -19.188 1.00 13.09 C ATOM 956 C ARG A 102 17.337 17.032 -17.879 1.00 12.62 C ATOM 957 O ARG A 102 16.536 16.960 -16.940 1.00 12.04 O ATOM 958 CB ARG A 102 16.622 19.169 -19.041 1.00 13.61 C ATOM 959 CG ARG A 102 17.835 20.017 -18.712 1.00 14.54 C ATOM 960 CD ARG A 102 17.512 21.493 -18.825 1.00 15.79 C ATOM 961 NE ARG A 102 18.603 22.356 -18.390 1.00 16.33 N ATOM 962 CZ ARG A 102 19.661 22.694 -19.141 1.00 18.65 C ATOM 963 NH1 ARG A 102 19.805 22.250 -20.388 1.00 18.67 N ATOM 964 NH2 ARG A 102 20.580 23.498 -18.630 1.00 20.22 N ATOM 965 HE ARG A 102 18.557 22.739 -17.424 1.00 0.00 H ATOM 966 HH12 ARG A 102 20.637 22.529 -20.947 1.00 0.00 H ATOM 967 HH11 ARG A 102 19.086 21.624 -20.803 1.00 0.00 H ATOM 968 HH22 ARG A 102 21.407 23.770 -19.199 1.00 0.00 H ATOM 969 HH21 ARG A 102 20.475 23.857 -17.660 1.00 0.00 H ATOM 970 H ARG A 102 14.787 17.317 -19.307 1.00 0.00 H ATOM 971 N GLN A 103 18.570 16.525 -17.847 1.00 12.66 N ATOM 972 CA GLN A 103 19.025 15.600 -16.813 1.00 14.19 C ATOM 973 C GLN A 103 20.235 16.080 -16.063 1.00 14.14 C ATOM 974 O GLN A 103 20.998 16.885 -16.581 1.00 15.00 O ATOM 975 CB GLN A 103 19.324 14.241 -17.424 1.00 15.91 C ATOM 976 CG GLN A 103 18.073 13.628 -17.999 1.00 18.68 C ATOM 977 CD GLN A 103 18.186 12.192 -18.466 1.00 21.46 C ATOM 978 OE1 GLN A 103 17.182 11.593 -18.909 1.00 26.77 O ATOM 979 NE2 GLN A 103 19.381 11.624 -18.390 1.00 21.91 N ATOM 980 HE22 GLN A 103 20.189 12.161 -18.014 1.00 0.00 H ATOM 981 HE21 GLN A 103 19.511 10.642 -18.706 1.00 0.00 H ATOM 982 H GLN A 103 19.239 16.801 -18.594 1.00 0.00 H ATOM 983 N ALA A 104 20.396 15.610 -14.830 1.00 12.28 N ATOM 984 CA ALA A 104 21.625 15.870 -14.078 1.00 12.67 C ATOM 985 C ALA A 104 21.903 14.660 -13.217 1.00 13.05 C ATOM 986 O ALA A 104 20.997 13.875 -12.970 1.00 14.21 O ATOM 987 CB ALA A 104 21.476 17.104 -13.198 1.00 12.42 C ATOM 988 H ALA A 104 19.637 15.049 -14.393 1.00 0.00 H ATOM 989 N MET A 105 23.144 14.521 -12.776 1.00 12.62 N ATOM 990 CA MET A 105 23.577 13.353 -12.003 1.00 13.50 C ATOM 991 C MET A 105 24.340 13.797 -10.783 1.00 11.68 C ATOM 992 O MET A 105 25.111 14.744 -10.851 1.00 11.06 O ATOM 993 CB MET A 105 24.522 12.468 -12.829 1.00 15.99 C ATOM 994 CG MET A 105 24.021 12.062 -14.203 1.00 20.54 C ATOM 995 SD MET A 105 22.428 11.230 -14.169 1.00 29.22 S ATOM 996 CE MET A 105 22.827 9.795 -13.188 1.00 26.73 C ATOM 997 H MET A 105 23.837 15.268 -12.986 1.00 0.00 H ATOM 998 N PHE A 106 24.161 13.078 -9.687 1.00 9.92 N ATOM 999 CA PHE A 106 24.943 13.306 -8.467 1.00 9.64 C ATOM 1000 C PHE A 106 25.025 12.020 -7.698 1.00 9.65 C ATOM 1001 O PHE A 106 24.391 11.044 -8.075 1.00 10.16 O ATOM 1002 CB PHE A 106 24.375 14.439 -7.612 1.00 9.44 C ATOM 1003 CG PHE A 106 22.979 14.194 -7.105 1.00 9.48 C ATOM 1004 CD1 PHE A 106 22.758 13.760 -5.804 1.00 9.78 C ATOM 1005 CD2 PHE A 106 21.871 14.450 -7.915 1.00 9.61 C ATOM 1006 CE1 PHE A 106 21.468 13.550 -5.335 1.00 9.77 C ATOM 1007 CE2 PHE A 106 20.587 14.221 -7.445 1.00 9.75 C ATOM 1008 CZ PHE A 106 20.388 13.795 -6.144 1.00 9.38 C ATOM 1009 H PHE A 106 23.442 12.326 -9.690 1.00 0.00 H ATOM 1010 N SER A 107 25.845 11.984 -6.659 1.00 9.42 N ATOM 1011 CA SER A 107 25.938 10.786 -5.825 1.00 10.01 C ATOM 1012 C SER A 107 25.649 11.055 -4.371 1.00 9.50 C ATOM 1013 O SER A 107 25.726 12.189 -3.910 1.00 10.00 O ATOM 1014 CB SER A 107 27.310 10.136 -5.938 1.00 10.84 C ATOM 1015 OG SER A 107 28.348 11.016 -5.536 1.00 12.65 O ATOM 1016 HG SER A 107 28.338 11.821 -6.112 1.00 0.00 H ATOM 1017 H SER A 107 26.428 12.815 -6.434 1.00 0.00 H ATOM 1018 N ASP A 108 25.240 10.003 -3.663 1.00 9.20 N ATOM 1019 CA ASP A 108 24.986 10.094 -2.236 1.00 9.25 C ATOM 1020 C ASP A 108 26.309 9.798 -1.484 1.00 9.61 C ATOM 1021 O ASP A 108 27.320 9.537 -2.118 1.00 10.12 O ATOM 1022 CB ASP A 108 23.798 9.208 -1.844 1.00 9.30 C ATOM 1023 CG ASP A 108 24.136 7.732 -1.700 1.00 9.18 C ATOM 1024 OD1 ASP A 108 25.279 7.296 -1.982 1.00 8.95 O ATOM 1025 OD2 ASP A 108 23.191 6.992 -1.277 1.00 9.30 O ATOM 1026 H ASP A 108 25.099 9.092 -4.145 1.00 0.00 H ATOM 1027 N PRO A 109 26.294 9.843 -0.144 1.00 10.52 N ATOM 1028 CA PRO A 109 27.516 9.668 0.635 1.00 11.03 C ATOM 1029 C PRO A 109 28.248 8.361 0.386 1.00 11.27 C ATOM 1030 O PRO A 109 29.472 8.329 0.474 1.00 13.78 O ATOM 1031 CB PRO A 109 27.009 9.737 2.075 1.00 11.22 C ATOM 1032 CG PRO A 109 25.882 10.716 1.985 1.00 11.31 C ATOM 1033 CD PRO A 109 25.185 10.297 0.724 1.00 10.95 C ATOM 1034 N ASP A 110 27.525 7.286 0.039 1.00 10.32 N ATOM 1035 CA ASP A 110 28.165 5.991 -0.237 1.00 10.52 C ATOM 1036 C ASP A 110 28.582 5.797 -1.673 1.00 10.55 C ATOM 1037 O ASP A 110 29.291 4.831 -1.984 1.00 11.22 O ATOM 1038 CB ASP A 110 27.233 4.853 0.173 1.00 10.68 C ATOM 1039 CG ASP A 110 27.185 4.681 1.676 1.00 11.55 C ATOM 1040 OD1 ASP A 110 28.227 4.256 2.192 1.00 13.04 O ATOM 1041 OD2 ASP A 110 26.164 5.005 2.306 1.00 11.64 O ATOM 1042 H ASP A 110 26.491 7.370 -0.036 1.00 0.00 H ATOM 1043 N GLY A 111 28.166 6.704 -2.546 1.00 9.88 N ATOM 1044 CA GLY A 111 28.484 6.603 -3.952 1.00 9.69 C ATOM 1045 C GLY A 111 27.385 6.041 -4.823 1.00 9.95 C ATOM 1046 O GLY A 111 27.616 5.858 -6.015 1.00 10.50 O ATOM 1047 H GLY A 111 27.597 7.508 -2.211 1.00 0.00 H ATOM 1048 N ASN A 112 26.183 5.800 -4.281 1.00 9.31 N ATOM 1049 CA ASN A 112 25.038 5.480 -5.144 1.00 8.71 C ATOM 1050 C ASN A 112 24.772 6.653 -6.070 1.00 8.88 C ATOM 1051 O ASN A 112 24.849 7.792 -5.638 1.00 9.30 O ATOM 1052 CB ASN A 112 23.781 5.193 -4.332 1.00 8.48 C ATOM 1053 CG ASN A 112 23.959 4.024 -3.396 1.00 8.10 C ATOM 1054 OD1 ASN A 112 24.247 2.922 -3.838 1.00 8.37 O ATOM 1055 ND2 ASN A 112 23.788 4.264 -2.093 1.00 8.29 N ATOM 1056 HD22 ASN A 112 23.543 5.221 -1.768 1.00 0.00 H ATOM 1057 HD21 ASN A 112 23.900 3.494 -1.403 1.00 0.00 H ATOM 1058 H ASN A 112 26.061 5.840 -3.249 1.00 0.00 H ATOM 1059 N VAL A 113 24.474 6.376 -7.340 1.00 8.60 N ATOM 1060 CA VAL A 113 24.371 7.419 -8.367 1.00 9.18 C ATOM 1061 C VAL A 113 22.898 7.706 -8.615 1.00 9.34 C ATOM 1062 O VAL A 113 22.105 6.779 -8.941 1.00 10.12 O ATOM 1063 CB VAL A 113 25.097 7.038 -9.665 1.00 9.69 C ATOM 1064 CG1 VAL A 113 24.913 8.160 -10.709 1.00 10.35 C ATOM 1065 CG2 VAL A 113 26.581 6.802 -9.397 1.00 9.87 C ATOM 1066 H VAL A 113 24.309 5.386 -7.612 1.00 0.00 H ATOM 1067 N ILE A 114 22.544 8.972 -8.479 1.00 9.67 N ATOM 1068 CA ILE A 114 21.166 9.458 -8.519 1.00 10.28 C ATOM 1069 C ILE A 114 21.069 10.451 -9.662 1.00 10.52 C ATOM 1070 O ILE A 114 21.873 11.406 -9.742 1.00 10.98 O ATOM 1071 CB ILE A 114 20.751 10.146 -7.204 1.00 11.00 C ATOM 1072 CG1 ILE A 114 20.992 9.237 -5.985 1.00 11.73 C ATOM 1073 CG2 ILE A 114 19.303 10.638 -7.257 1.00 11.14 C ATOM 1074 CD1 ILE A 114 20.844 9.916 -4.659 1.00 12.63 C ATOM 1075 H ILE A 114 23.299 9.672 -8.333 1.00 0.00 H ATOM 1076 N GLY A 115 20.091 10.240 -10.529 1.00 10.38 N ATOM 1077 CA GLY A 115 19.789 11.196 -11.608 1.00 10.19 C ATOM 1078 C GLY A 115 18.541 12.026 -11.346 1.00 10.05 C ATOM 1079 O GLY A 115 17.651 11.609 -10.613 1.00 9.60 O ATOM 1080 H GLY A 115 19.520 9.375 -10.446 1.00 0.00 H ATOM 1081 N LEU A 116 18.504 13.212 -11.957 1.00 9.89 N ATOM 1082 CA LEU A 116 17.311 14.061 -12.025 1.00 10.55 C ATOM 1083 C LEU A 116 16.921 14.178 -13.483 1.00 11.02 C ATOM 1084 O LEU A 116 17.791 14.235 -14.363 1.00 10.79 O ATOM 1085 CB LEU A 116 17.605 15.480 -11.522 1.00 11.26 C ATOM 1086 CG LEU A 116 18.062 15.652 -10.081 1.00 11.41 C ATOM 1087 CD1 LEU A 116 18.232 17.128 -9.772 1.00 12.41 C ATOM 1088 CD2 LEU A 116 17.085 15.015 -9.107 1.00 12.00 C ATOM 1089 H LEU A 116 19.374 13.554 -12.412 1.00 0.00 H ATOM 1090 N ASN A 117 15.625 14.218 -13.753 1.00 10.69 N ATOM 1091 CA ASN A 117 15.163 14.400 -15.126 1.00 11.49 C ATOM 1092 C ASN A 117 13.922 15.268 -15.150 1.00 12.10 C ATOM 1093 O ASN A 117 12.969 15.012 -14.436 1.00 11.21 O ATOM 1094 CB ASN A 117 14.839 13.045 -15.754 1.00 12.50 C ATOM 1095 CG ASN A 117 14.459 13.157 -17.208 1.00 14.18 C ATOM 1096 OD1 ASN A 117 15.205 13.710 -18.015 1.00 16.56 O ATOM 1097 ND2 ASN A 117 13.306 12.662 -17.537 1.00 15.20 N ATOM 1098 HD22 ASN A 117 12.712 12.204 -16.817 1.00 0.00 H ATOM 1099 HD21 ASN A 117 12.976 12.723 -18.521 1.00 0.00 H ATOM 1100 H ASN A 117 14.933 14.119 -12.983 1.00 0.00 H ATOM 1101 N GLN A 118 13.945 16.288 -16.003 1.00 12.54 N ATOM 1102 CA GLN A 118 12.768 17.127 -16.245 1.00 13.84 C ATOM 1103 C GLN A 118 12.334 16.857 -17.685 1.00 15.74 C ATOM 1104 O GLN A 118 12.966 17.366 -18.617 1.00 15.31 O ATOM 1105 CB GLN A 118 13.104 18.607 -16.055 1.00 14.63 C ATOM 1106 CG GLN A 118 11.899 19.493 -16.238 1.00 15.57 C ATOM 1107 CD GLN A 118 12.231 20.960 -16.180 1.00 17.43 C ATOM 1108 OE1 GLN A 118 13.155 21.391 -15.473 1.00 16.86 O ATOM 1109 NE2 GLN A 118 11.467 21.759 -16.938 1.00 18.93 N ATOM 1110 HE22 GLN A 118 10.703 21.353 -17.515 1.00 0.00 H ATOM 1111 HE21 GLN A 118 11.638 22.785 -16.949 1.00 0.00 H ATOM 1112 H GLN A 118 14.826 16.497 -16.515 1.00 0.00 H ATOM 1113 N PRO A 119 11.288 16.030 -17.880 1.00 18.06 N ATOM 1114 CA PRO A 119 10.824 15.716 -19.237 1.00 19.94 C ATOM 1115 C PRO A 119 10.370 16.933 -20.026 1.00 21.85 C ATOM 1116 O PRO A 119 10.000 17.934 -19.429 1.00 24.33 O ATOM 1117 CB PRO A 119 9.636 14.778 -18.981 1.00 20.34 C ATOM 1118 CG PRO A 119 9.934 14.138 -17.681 1.00 20.33 C ATOM 1119 CD PRO A 119 10.518 15.263 -16.876 1.00 19.77 C TER 1120 PRO A 119 ATOM 1121 N SER B -1 13.129 27.566 -2.359 1.00 38.47 N ATOM 1122 CA SER B -1 13.619 26.976 -1.078 1.00 38.04 C ATOM 1123 C SER B -1 13.419 25.457 -0.946 1.00 34.91 C ATOM 1124 O SER B -1 14.189 24.806 -0.241 1.00 37.69 O ATOM 1125 CB SER B -1 12.961 27.681 0.105 1.00 40.25 C ATOM 1126 OG SER B -1 13.484 27.199 1.328 1.00 43.79 O ATOM 1127 HG SER B -1 13.312 26.227 1.398 1.00 0.00 H ATOM 1128 HN3 SER B -1 12.108 27.389 -2.453 1.00 0.00 H ATOM 1129 HN2 SER B -1 13.633 27.127 -3.156 1.00 0.00 H ATOM 1130 HN1 SER B -1 13.306 28.591 -2.357 1.00 0.00 H ATOM 1131 N HIS B 0 12.383 24.907 -1.583 1.00 31.57 N ATOM 1132 CA HIS B 0 12.107 23.450 -1.561 1.00 28.76 C ATOM 1133 C HIS B 0 12.462 22.837 -2.918 1.00 23.52 C ATOM 1134 O HIS B 0 12.298 23.467 -3.962 1.00 22.50 O ATOM 1135 CB HIS B 0 10.618 23.171 -1.276 1.00 30.35 C ATOM 1136 CG HIS B 0 10.222 23.269 0.168 1.00 34.11 C ATOM 1137 ND1 HIS B 0 10.181 24.464 0.856 1.00 35.81 N ATOM 1138 CD2 HIS B 0 9.780 22.325 1.035 1.00 36.02 C ATOM 1139 CE1 HIS B 0 9.769 24.246 2.095 1.00 35.32 C ATOM 1140 NE2 HIS B 0 9.516 22.956 2.229 1.00 36.50 N ATOM 1141 H HIS B 0 11.742 25.527 -2.118 1.00 0.00 H ATOM 1142 N MET B 1 12.902 21.581 -2.916 1.00 20.12 N ATOM 1143 CA MET B 1 13.203 20.900 -4.172 1.00 18.12 C ATOM 1144 C MET B 1 11.927 20.625 -4.984 1.00 15.86 C ATOM 1145 O MET B 1 10.851 20.379 -4.410 1.00 15.64 O ATOM 1146 CB MET B 1 13.926 19.579 -3.895 1.00 18.39 C ATOM 1147 CG MET B 1 15.267 19.732 -3.204 1.00 19.65 C ATOM 1148 SD MET B 1 16.530 20.440 -4.291 1.00 19.74 S ATOM 1149 CE MET B 1 17.004 19.067 -5.292 1.00 20.96 C ATOM 1150 H MET B 1 13.032 21.081 -2.013 1.00 0.00 H ATOM 1151 N ALA B 2 12.094 20.575 -6.306 1.00 14.20 N ATOM 1152 CA ALA B 2 11.015 20.360 -7.262 1.00 14.15 C ATOM 1153 C ALA B 2 10.845 18.906 -7.680 1.00 13.07 C ATOM 1154 O ALA B 2 10.082 18.598 -8.595 1.00 13.10 O ATOM 1155 CB ALA B 2 11.217 21.228 -8.491 1.00 15.01 C ATOM 1156 H ALA B 2 13.057 20.697 -6.679 1.00 0.00 H ATOM 1157 N ILE B 3 11.561 18.016 -7.014 1.00 12.99 N ATOM 1158 CA ILE B 3 11.431 16.589 -7.278 1.00 12.16 C ATOM 1159 C ILE B 3 10.037 16.089 -6.899 1.00 11.97 C ATOM 1160 O ILE B 3 9.564 16.346 -5.784 1.00 12.98 O ATOM 1161 CB ILE B 3 12.485 15.817 -6.466 1.00 11.45 C ATOM 1162 CG1 ILE B 3 13.890 16.184 -6.970 1.00 11.66 C ATOM 1163 CG2 ILE B 3 12.274 14.308 -6.587 1.00 11.54 C ATOM 1164 CD1 ILE B 3 15.002 15.817 -6.034 1.00 11.68 C ATOM 1165 H ILE B 3 12.230 18.341 -6.287 1.00 0.00 H ATOM 1166 N SER B 4 9.398 15.353 -7.797 1.00 10.97 N ATOM 1167 CA SER B 4 8.050 14.824 -7.557 1.00 11.47 C ATOM 1168 C SER B 4 8.012 13.351 -7.174 1.00 10.68 C ATOM 1169 O SER B 4 7.232 12.946 -6.316 1.00 10.80 O ATOM 1170 CB SER B 4 7.142 15.109 -8.744 1.00 12.62 C ATOM 1171 OG SER B 4 7.534 14.452 -9.909 1.00 15.34 O ATOM 1172 HG SER B 4 7.525 13.474 -9.754 1.00 0.00 H ATOM 1173 H SER B 4 9.867 15.143 -8.701 1.00 0.00 H ATOM 1174 N HIS B 5 8.823 12.535 -7.843 1.00 9.77 N ATOM 1175 CA HIS B 5 8.765 11.101 -7.632 1.00 9.26 C ATOM 1176 C HIS B 5 9.961 10.435 -8.330 1.00 8.88 C ATOM 1177 O HIS B 5 10.641 11.070 -9.134 1.00 9.26 O ATOM 1178 CB HIS B 5 7.437 10.483 -8.143 1.00 9.72 C ATOM 1179 CG HIS B 5 7.171 10.689 -9.600 1.00 10.25 C ATOM 1180 ND1 HIS B 5 6.509 11.795 -10.103 1.00 11.60 N ATOM 1181 CD2 HIS B 5 7.377 9.867 -10.644 1.00 10.25 C ATOM 1182 CE1 HIS B 5 6.361 11.648 -11.407 1.00 10.89 C ATOM 1183 NE2 HIS B 5 6.894 10.496 -11.764 1.00 11.08 N ATOM 1184 H HIS B 5 9.504 12.929 -8.523 1.00 0.00 H ATOM 1185 N VAL B 6 10.189 9.170 -8.015 1.00 8.13 N ATOM 1186 CA VAL B 6 11.174 8.395 -8.729 1.00 7.91 C ATOM 1187 C VAL B 6 10.566 8.109 -10.095 1.00 8.06 C ATOM 1188 O VAL B 6 9.518 7.472 -10.186 1.00 8.40 O ATOM 1189 CB VAL B 6 11.487 7.055 -8.016 1.00 7.87 C ATOM 1190 CG1 VAL B 6 12.448 6.206 -8.838 1.00 8.05 C ATOM 1191 CG2 VAL B 6 12.049 7.326 -6.628 1.00 7.72 C ATOM 1192 H VAL B 6 9.651 8.729 -7.242 1.00 0.00 H ATOM 1193 N GLN B 7 11.230 8.545 -11.150 1.00 8.07 N ATOM 1194 CA GLN B 7 10.779 8.227 -12.502 1.00 8.86 C ATOM 1195 C GLN B 7 11.006 6.752 -12.813 1.00 8.43 C ATOM 1196 O GLN B 7 10.111 6.045 -13.328 1.00 8.37 O ATOM 1197 CB GLN B 7 11.469 9.126 -13.542 1.00 9.66 C ATOM 1198 CG GLN B 7 10.908 8.874 -14.944 1.00 11.31 C ATOM 1199 CD GLN B 7 11.217 9.933 -15.980 1.00 13.32 C ATOM 1200 OE1 GLN B 7 10.831 9.787 -17.157 1.00 18.05 O ATOM 1201 NE2 GLN B 7 11.869 10.977 -15.581 1.00 13.01 N ATOM 1202 HE22 GLN B 7 12.170 11.054 -14.589 1.00 0.00 H ATOM 1203 HE21 GLN B 7 12.092 11.739 -16.253 1.00 0.00 H ATOM 1204 H GLN B 7 12.085 9.122 -11.016 1.00 0.00 H ATOM 1205 N LEU B 8 12.215 6.280 -12.522 1.00 8.31 N ATOM 1206 CA LEU B 8 12.563 4.883 -12.781 1.00 8.36 C ATOM 1207 C LEU B 8 13.738 4.476 -11.951 1.00 7.95 C ATOM 1208 O LEU B 8 14.540 5.340 -11.498 1.00 7.48 O ATOM 1209 CB LEU B 8 12.838 4.633 -14.275 1.00 8.93 C ATOM 1210 CG LEU B 8 13.865 5.534 -14.967 1.00 8.98 C ATOM 1211 CD1 LEU B 8 15.295 5.049 -14.780 1.00 9.34 C ATOM 1212 CD2 LEU B 8 13.514 5.699 -16.437 1.00 9.49 C ATOM 1213 H LEU B 8 12.925 6.915 -12.103 1.00 0.00 H ATOM 1214 N PHE B 9 13.883 3.175 -11.766 1.00 7.66 N ATOM 1215 CA PHE B 9 15.070 2.597 -11.139 1.00 7.59 C ATOM 1216 C PHE B 9 15.395 1.317 -11.880 1.00 7.89 C ATOM 1217 O PHE B 9 14.597 0.855 -12.694 1.00 7.56 O ATOM 1218 CB PHE B 9 14.877 2.379 -9.621 1.00 7.88 C ATOM 1219 CG PHE B 9 13.856 1.364 -9.273 1.00 7.97 C ATOM 1220 CD1 PHE B 9 12.514 1.690 -9.276 1.00 7.94 C ATOM 1221 CD2 PHE B 9 14.228 0.085 -8.945 1.00 8.20 C ATOM 1222 CE1 PHE B 9 11.547 0.759 -8.978 1.00 8.16 C ATOM 1223 CE2 PHE B 9 13.266 -0.846 -8.635 1.00 8.37 C ATOM 1224 CZ PHE B 9 11.917 -0.506 -8.660 1.00 8.35 C ATOM 1225 H PHE B 9 13.123 2.538 -12.079 1.00 0.00 H ATOM 1226 N SER B 10 16.550 0.751 -11.571 1.00 7.92 N ATOM 1227 CA SER B 10 17.128 -0.338 -12.392 1.00 8.48 C ATOM 1228 C SER B 10 17.181 -1.662 -11.652 1.00 8.65 C ATOM 1229 O SER B 10 17.494 -1.714 -10.444 1.00 9.11 O ATOM 1230 CB SER B 10 18.497 0.121 -12.921 1.00 9.27 C ATOM 1231 OG SER B 10 18.315 1.208 -13.817 1.00 10.35 O ATOM 1232 HG SER B 10 17.876 1.957 -13.341 1.00 0.00 H ATOM 1233 H SER B 10 17.066 1.079 -10.730 1.00 0.00 H ATOM 1234 N VAL B 11 16.876 -2.732 -12.397 1.00 8.60 N ATOM 1235 CA VAL B 11 16.873 -4.107 -11.903 1.00 8.38 C ATOM 1236 C VAL B 11 17.897 -4.861 -12.750 1.00 8.39 C ATOM 1237 O VAL B 11 17.764 -4.857 -13.971 1.00 8.15 O ATOM 1238 CB VAL B 11 15.488 -4.725 -12.026 1.00 8.54 C ATOM 1239 CG1 VAL B 11 15.509 -6.179 -11.569 1.00 8.96 C ATOM 1240 CG2 VAL B 11 14.483 -3.913 -11.211 1.00 8.62 C ATOM 1241 H VAL B 11 16.624 -2.574 -13.394 1.00 0.00 H ATOM 1242 N PRO B 12 18.903 -5.495 -12.131 1.00 8.54 N ATOM 1243 CA PRO B 12 19.995 -6.130 -12.901 1.00 8.90 C ATOM 1244 C PRO B 12 19.590 -7.528 -13.340 1.00 9.19 C ATOM 1245 O PRO B 12 19.269 -8.390 -12.500 1.00 9.26 O ATOM 1246 CB PRO B 12 21.141 -6.193 -11.902 1.00 8.67 C ATOM 1247 CG PRO B 12 20.461 -6.309 -10.585 1.00 8.73 C ATOM 1248 CD PRO B 12 19.187 -5.508 -10.688 1.00 8.77 C ATOM 1249 N VAL B 13 19.586 -7.749 -14.661 1.00 9.72 N ATOM 1250 CA VAL B 13 19.202 -9.034 -15.232 1.00 10.54 C ATOM 1251 C VAL B 13 20.298 -9.514 -16.167 1.00 11.55 C ATOM 1252 O VAL B 13 21.145 -8.728 -16.569 1.00 11.87 O ATOM 1253 CB VAL B 13 17.846 -8.945 -15.956 1.00 10.53 C ATOM 1254 CG1 VAL B 13 16.779 -8.440 -14.977 1.00 10.82 C ATOM 1255 CG2 VAL B 13 17.906 -8.056 -17.180 1.00 10.70 C ATOM 1256 H VAL B 13 19.866 -6.978 -15.301 1.00 0.00 H ATOM 1257 N SER B 14 20.257 -10.785 -16.544 1.00 13.09 N ATOM 1258 CA SER B 14 21.191 -11.284 -17.564 1.00 15.33 C ATOM 1259 C SER B 14 20.422 -11.374 -18.908 1.00 16.71 C ATOM 1260 O SER B 14 20.534 -10.505 -19.790 1.00 20.65 O ATOM 1261 CB SER B 14 21.840 -12.588 -17.104 1.00 15.50 C ATOM 1262 OG SER B 14 20.872 -13.608 -16.888 1.00 15.81 O ATOM 1263 HG SER B 14 20.234 -13.313 -16.191 1.00 0.00 H ATOM 1264 H SER B 14 19.562 -11.430 -16.117 1.00 0.00 H ATOM 1265 N ASP B 15 19.543 -12.335 -19.028 1.00 17.03 N ATOM 1266 CA ASP B 15 18.795 -12.522 -20.256 1.00 16.82 C ATOM 1267 C ASP B 15 17.615 -11.538 -20.264 1.00 15.86 C ATOM 1268 O ASP B 15 16.612 -11.751 -19.589 1.00 15.10 O ATOM 1269 CB ASP B 15 18.342 -13.975 -20.344 1.00 18.42 C ATOM 1270 CG ASP B 15 17.655 -14.317 -21.651 1.00 20.00 C ATOM 1271 OD1 ASP B 15 17.078 -13.433 -22.334 1.00 21.32 O ATOM 1272 OD2 ASP B 15 17.649 -15.536 -21.967 1.00 23.53 O ATOM 1273 H ASP B 15 19.377 -12.977 -18.227 1.00 0.00 H ATOM 1274 N GLN B 16 17.769 -10.440 -20.994 1.00 15.45 N ATOM 1275 CA GLN B 16 16.718 -9.411 -21.037 1.00 14.74 C ATOM 1276 C GLN B 16 15.415 -9.860 -21.701 1.00 15.81 C ATOM 1277 O GLN B 16 14.357 -9.390 -21.325 1.00 15.55 O ATOM 1278 CB GLN B 16 17.243 -8.127 -21.685 1.00 14.08 C ATOM 1279 CG GLN B 16 18.299 -7.406 -20.874 1.00 14.04 C ATOM 1280 CD GLN B 16 18.910 -6.250 -21.631 1.00 14.34 C ATOM 1281 OE1 GLN B 16 19.575 -6.451 -22.667 1.00 15.10 O ATOM 1282 NE2 GLN B 16 18.698 -5.028 -21.141 1.00 13.73 N ATOM 1283 HE22 GLN B 16 18.137 -4.906 -20.274 1.00 0.00 H ATOM 1284 HE21 GLN B 16 19.093 -4.197 -21.626 1.00 0.00 H ATOM 1285 H GLN B 16 18.643 -10.305 -21.542 1.00 0.00 H ATOM 1286 N GLU B 17 15.477 -10.723 -22.717 1.00 16.33 N ATOM 1287 CA GLU B 17 14.268 -11.228 -23.361 1.00 18.05 C ATOM 1288 C GLU B 17 13.456 -12.061 -22.376 1.00 17.77 C ATOM 1289 O GLU B 17 12.261 -11.851 -22.258 1.00 17.62 O ATOM 1290 CB GLU B 17 14.615 -12.036 -24.628 1.00 20.32 C ATOM 1291 CG GLU B 17 13.431 -12.380 -25.546 1.00 22.24 C ATOM 1292 CD GLU B 17 12.707 -11.171 -26.148 1.00 23.96 C ATOM 1293 OE1 GLU B 17 11.556 -11.329 -26.626 1.00 27.07 O ATOM 1294 OE2 GLU B 17 13.262 -10.053 -26.142 1.00 26.54 O ATOM 1295 H GLU B 17 16.406 -11.043 -23.057 1.00 0.00 H ATOM 1296 N LYS B 18 14.126 -12.961 -21.660 1.00 17.22 N ATOM 1297 CA LYS B 18 13.507 -13.758 -20.598 1.00 17.23 C ATOM 1298 C LYS B 18 12.966 -12.871 -19.474 1.00 15.08 C ATOM 1299 O LYS B 18 11.890 -13.124 -18.931 1.00 14.56 O ATOM 1300 CB LYS B 18 14.497 -14.760 -20.024 1.00 19.52 C ATOM 1301 CG LYS B 18 13.865 -15.786 -19.112 1.00 23.25 C ATOM 1302 CD LYS B 18 14.909 -16.681 -18.482 1.00 26.75 C ATOM 1303 CE LYS B 18 14.283 -17.857 -17.748 1.00 29.66 C ATOM 1304 NZ LYS B 18 15.326 -18.598 -16.978 1.00 31.86 N ATOM 1305 HZ1 LYS B 18 16.052 -18.952 -17.633 1.00 0.00 H ATOM 1306 HZ2 LYS B 18 15.764 -17.958 -16.285 1.00 0.00 H ATOM 1307 HZ3 LYS B 18 14.885 -19.399 -16.481 1.00 0.00 H ATOM 1308 H LYS B 18 15.136 -13.105 -21.864 1.00 0.00 H ATOM 1309 N ALA B 19 13.717 -11.836 -19.116 1.00 13.43 N ATOM 1310 CA ALA B 19 13.256 -10.917 -18.082 1.00 13.50 C ATOM 1311 C ALA B 19 12.034 -10.135 -18.554 1.00 13.72 C ATOM 1312 O ALA B 19 11.085 -9.929 -17.801 1.00 13.25 O ATOM 1313 CB ALA B 19 14.400 -9.983 -17.664 1.00 12.97 C ATOM 1314 H ALA B 19 14.637 -11.680 -19.575 1.00 0.00 H ATOM 1315 N LYS B 20 12.047 -9.704 -19.810 1.00 14.14 N ATOM 1316 CA LYS B 20 10.904 -9.006 -20.391 1.00 15.49 C ATOM 1317 C LYS B 20 9.660 -9.877 -20.282 1.00 15.95 C ATOM 1318 O LYS B 20 8.585 -9.429 -19.831 1.00 14.99 O ATOM 1319 CB LYS B 20 11.148 -8.686 -21.874 1.00 16.83 C ATOM 1320 CG LYS B 20 10.024 -7.906 -22.535 1.00 19.63 C ATOM 1321 CD LYS B 20 10.226 -7.747 -24.031 1.00 21.71 C ATOM 1322 CE LYS B 20 9.817 -8.978 -24.802 1.00 24.32 C ATOM 1323 NZ LYS B 20 10.210 -8.843 -26.242 1.00 27.96 N ATOM 1324 HZ1 LYS B 20 9.738 -8.012 -26.652 1.00 0.00 H ATOM 1325 HZ2 LYS B 20 11.241 -8.726 -26.309 1.00 0.00 H ATOM 1326 HZ3 LYS B 20 9.922 -9.698 -26.760 1.00 0.00 H ATOM 1327 H LYS B 20 12.892 -9.868 -20.394 1.00 0.00 H ATOM 1328 N ASP B 21 9.796 -11.116 -20.722 1.00 16.05 N ATOM 1329 CA ASP B 21 8.643 -12.020 -20.723 1.00 17.09 C ATOM 1330 C ASP B 21 8.138 -12.279 -19.308 1.00 16.26 C ATOM 1331 O ASP B 21 6.938 -12.283 -19.082 1.00 17.43 O ATOM 1332 CB ASP B 21 8.957 -13.306 -21.466 1.00 19.25 C ATOM 1333 CG ASP B 21 9.103 -13.076 -22.962 1.00 21.99 C ATOM 1334 OD1 ASP B 21 8.610 -12.053 -23.497 1.00 23.33 O ATOM 1335 OD2 ASP B 21 9.729 -13.921 -23.603 1.00 25.03 O ATOM 1336 H ASP B 21 10.719 -11.448 -21.067 1.00 0.00 H ATOM 1337 N PHE B 22 9.052 -12.434 -18.366 1.00 14.71 N ATOM 1338 CA PHE B 22 8.662 -12.562 -16.960 1.00 13.94 C ATOM 1339 C PHE B 22 7.898 -11.361 -16.420 1.00 13.71 C ATOM 1340 O PHE B 22 6.808 -11.499 -15.892 1.00 14.47 O ATOM 1341 CB PHE B 22 9.876 -12.850 -16.077 1.00 13.77 C ATOM 1342 CG PHE B 22 9.536 -13.067 -14.634 1.00 13.73 C ATOM 1343 CD1 PHE B 22 9.101 -14.309 -14.186 1.00 13.58 C ATOM 1344 CD2 PHE B 22 9.681 -12.047 -13.708 1.00 13.64 C ATOM 1345 CE1 PHE B 22 8.807 -14.505 -12.851 1.00 14.96 C ATOM 1346 CE2 PHE B 22 9.387 -12.248 -12.365 1.00 14.67 C ATOM 1347 CZ PHE B 22 8.947 -13.481 -11.941 1.00 14.52 C ATOM 1348 H PHE B 22 10.059 -12.465 -18.626 1.00 0.00 H ATOM 1349 N TYR B 23 8.465 -10.161 -16.526 1.00 12.76 N ATOM 1350 CA TYR B 23 7.805 -8.995 -15.942 1.00 13.02 C ATOM 1351 C TYR B 23 6.501 -8.617 -16.656 1.00 13.26 C ATOM 1352 O TYR B 23 5.557 -8.181 -16.014 1.00 13.12 O ATOM 1353 CB TYR B 23 8.766 -7.800 -15.836 1.00 12.61 C ATOM 1354 CG TYR B 23 9.779 -7.973 -14.703 1.00 11.90 C ATOM 1355 CD1 TYR B 23 11.026 -8.559 -14.927 1.00 11.96 C ATOM 1356 CD2 TYR B 23 9.469 -7.607 -13.406 1.00 11.96 C ATOM 1357 CE1 TYR B 23 11.945 -8.738 -13.917 1.00 11.69 C ATOM 1358 CE2 TYR B 23 10.384 -7.784 -12.382 1.00 11.88 C ATOM 1359 CZ TYR B 23 11.612 -8.356 -12.631 1.00 11.25 C ATOM 1360 OH TYR B 23 12.508 -8.547 -11.613 1.00 12.42 O ATOM 1361 HH TYR B 23 13.330 -8.966 -11.972 1.00 0.00 H ATOM 1362 H TYR B 23 9.373 -10.054 -17.022 1.00 0.00 H ATOM 1363 N VAL B 24 6.431 -8.832 -17.969 1.00 14.30 N ATOM 1364 CA VAL B 24 5.249 -8.455 -18.755 1.00 14.59 C ATOM 1365 C VAL B 24 4.161 -9.539 -18.694 1.00 15.67 C ATOM 1366 O VAL B 24 3.017 -9.257 -18.318 1.00 16.67 O ATOM 1367 CB VAL B 24 5.644 -8.141 -20.217 1.00 14.81 C ATOM 1368 CG1 VAL B 24 4.409 -7.853 -21.059 1.00 15.09 C ATOM 1369 CG2 VAL B 24 6.580 -6.936 -20.267 1.00 14.61 C ATOM 1370 H VAL B 24 7.236 -9.280 -18.451 1.00 0.00 H ATOM 1371 N GLU B 25 4.515 -10.752 -19.067 1.00 16.73 N ATOM 1372 CA GLU B 25 3.530 -11.837 -19.219 1.00 19.30 C ATOM 1373 C GLU B 25 3.190 -12.451 -17.869 1.00 19.42 C ATOM 1374 O GLU B 25 2.019 -12.683 -17.561 1.00 20.44 O ATOM 1375 CB GLU B 25 4.026 -12.926 -20.179 1.00 22.60 C ATOM 1376 CG GLU B 25 4.523 -12.436 -21.537 1.00 27.12 C ATOM 1377 CD GLU B 25 3.495 -11.660 -22.350 1.00 31.54 C ATOM 1378 OE1 GLU B 25 3.912 -10.941 -23.289 1.00 36.16 O ATOM 1379 OE2 GLU B 25 2.271 -11.783 -22.096 1.00 37.76 O ATOM 1380 H GLU B 25 5.518 -10.949 -19.260 1.00 0.00 H ATOM 1381 N THR B 26 4.201 -12.723 -17.061 1.00 17.93 N ATOM 1382 CA THR B 26 3.976 -13.391 -15.778 1.00 17.76 C ATOM 1383 C THR B 26 3.535 -12.458 -14.654 1.00 17.44 C ATOM 1384 O THR B 26 2.568 -12.750 -13.945 1.00 17.47 O ATOM 1385 CB THR B 26 5.202 -14.206 -15.356 1.00 18.35 C ATOM 1386 OG1 THR B 26 5.465 -15.185 -16.370 1.00 20.13 O ATOM 1387 CG2 THR B 26 4.978 -14.913 -14.031 1.00 18.55 C ATOM 1388 HG1 THR B 26 4.679 -15.779 -16.465 1.00 0.00 H ATOM 1389 H THR B 26 5.167 -12.459 -17.340 1.00 0.00 H ATOM 1390 N VAL B 27 4.231 -11.344 -14.479 1.00 16.28 N ATOM 1391 CA VAL B 27 3.874 -10.387 -13.418 1.00 16.15 C ATOM 1392 C VAL B 27 2.797 -9.373 -13.871 1.00 15.62 C ATOM 1393 O VAL B 27 2.171 -8.734 -13.023 1.00 17.34 O ATOM 1394 CB VAL B 27 5.135 -9.696 -12.852 1.00 15.64 C ATOM 1395 CG1 VAL B 27 4.814 -8.822 -11.648 1.00 16.30 C ATOM 1396 CG2 VAL B 27 6.204 -10.736 -12.498 1.00 15.82 C ATOM 1397 H VAL B 27 5.041 -11.143 -15.100 1.00 0.00 H ATOM 1398 N GLY B 28 2.583 -9.213 -15.182 1.00 14.34 N ATOM 1399 CA GLY B 28 1.492 -8.371 -15.708 1.00 14.64 C ATOM 1400 C GLY B 28 1.800 -6.906 -15.955 1.00 13.95 C ATOM 1401 O GLY B 28 0.881 -6.076 -16.191 1.00 14.29 O ATOM 1402 H GLY B 28 3.209 -9.700 -15.855 1.00 0.00 H ATOM 1403 N PHE B 29 3.077 -6.554 -15.917 1.00 13.86 N ATOM 1404 CA PHE B 29 3.483 -5.180 -16.201 1.00 13.86 C ATOM 1405 C PHE B 29 3.251 -4.811 -17.669 1.00 14.02 C ATOM 1406 O PHE B 29 3.191 -5.673 -18.545 1.00 14.73 O ATOM 1407 CB PHE B 29 4.978 -4.973 -15.890 1.00 13.17 C ATOM 1408 CG PHE B 29 5.337 -4.927 -14.409 1.00 14.40 C ATOM 1409 CD1 PHE B 29 4.436 -5.247 -13.387 1.00 15.29 C ATOM 1410 CD2 PHE B 29 6.627 -4.606 -14.053 1.00 14.29 C ATOM 1411 CE1 PHE B 29 4.837 -5.179 -12.052 1.00 15.24 C ATOM 1412 CE2 PHE B 29 7.033 -4.541 -12.730 1.00 14.51 C ATOM 1413 CZ PHE B 29 6.153 -4.848 -11.730 1.00 15.06 C ATOM 1414 H PHE B 29 3.799 -7.265 -15.682 1.00 0.00 H ATOM 1415 N ASP B 30 3.092 -3.522 -17.920 1.00 14.78 N ATOM 1416 CA ASP B 30 3.166 -2.988 -19.277 1.00 15.51 C ATOM 1417 C ASP B 30 4.615 -2.870 -19.762 1.00 14.92 C ATOM 1418 O ASP B 30 5.533 -2.542 -18.974 1.00 13.01 O ATOM 1419 CB ASP B 30 2.521 -1.607 -19.343 1.00 17.96 C ATOM 1420 CG ASP B 30 1.014 -1.656 -19.238 1.00 21.61 C ATOM 1421 OD1 ASP B 30 0.408 -2.747 -19.402 1.00 25.89 O ATOM 1422 OD2 ASP B 30 0.436 -0.572 -19.002 1.00 26.20 O ATOM 1423 H ASP B 30 2.909 -2.871 -17.129 1.00 0.00 H ATOM 1424 N LEU B 31 4.821 -3.127 -21.058 1.00 14.43 N ATOM 1425 CA LEU B 31 6.091 -2.835 -21.704 1.00 15.15 C ATOM 1426 C LEU B 31 6.080 -1.386 -22.206 1.00 15.63 C ATOM 1427 O LEU B 31 5.396 -1.084 -23.191 1.00 16.67 O ATOM 1428 CB LEU B 31 6.345 -3.837 -22.835 1.00 15.83 C ATOM 1429 CG LEU B 31 7.671 -3.684 -23.600 1.00 16.28 C ATOM 1430 CD1 LEU B 31 8.861 -3.760 -22.654 1.00 16.17 C ATOM 1431 CD2 LEU B 31 7.811 -4.723 -24.710 1.00 17.04 C ATOM 1432 H LEU B 31 4.053 -3.547 -21.619 1.00 0.00 H ATOM 1433 N LEU B 32 6.815 -0.480 -21.551 1.00 14.80 N ATOM 1434 CA LEU B 32 6.868 0.924 -21.996 1.00 15.38 C ATOM 1435 C LEU B 32 7.834 1.161 -23.147 1.00 15.27 C ATOM 1436 O LEU B 32 7.537 1.963 -24.024 1.00 15.88 O ATOM 1437 CB LEU B 32 7.214 1.882 -20.843 1.00 15.82 C ATOM 1438 CG LEU B 32 6.333 1.743 -19.591 1.00 17.19 C ATOM 1439 CD1 LEU B 32 6.748 2.731 -18.507 1.00 17.51 C ATOM 1440 CD2 LEU B 32 4.857 1.887 -19.943 1.00 17.98 C ATOM 1441 H LEU B 32 7.358 -0.772 -20.713 1.00 0.00 H ATOM 1442 N ALA B 33 8.988 0.503 -23.125 1.00 15.58 N ATOM 1443 CA ALA B 33 10.042 0.766 -24.100 1.00 16.37 C ATOM 1444 C ALA B 33 10.961 -0.425 -24.224 1.00 16.77 C ATOM 1445 O ALA B 33 11.244 -1.101 -23.251 1.00 14.99 O ATOM 1446 CB ALA B 33 10.839 1.997 -23.709 1.00 16.02 C ATOM 1447 H ALA B 33 9.145 -0.219 -22.393 1.00 0.00 H ATOM 1448 N ASP B 34 11.423 -0.682 -25.446 1.00 17.58 N ATOM 1449 CA ASP B 34 12.443 -1.692 -25.694 1.00 18.29 C ATOM 1450 C ASP B 34 13.250 -1.139 -26.866 1.00 19.97 C ATOM 1451 O ASP B 34 12.877 -1.345 -28.021 1.00 19.54 O ATOM 1452 CB ASP B 34 11.761 -3.009 -26.024 1.00 20.77 C ATOM 1453 CG ASP B 34 12.704 -4.183 -26.035 1.00 23.72 C ATOM 1454 OD1 ASP B 34 13.941 -4.011 -26.087 1.00 27.05 O ATOM 1455 OD2 ASP B 34 12.192 -5.323 -25.999 1.00 26.26 O ATOM 1456 H ASP B 34 11.043 -0.144 -26.250 1.00 0.00 H ATOM 1457 N GLN B 35 14.327 -0.413 -26.541 1.00 18.90 N ATOM 1458 CA GLN B 35 15.086 0.388 -27.501 1.00 20.50 C ATOM 1459 C GLN B 35 16.588 0.154 -27.430 1.00 22.28 C ATOM 1460 O GLN B 35 17.132 -0.156 -26.371 1.00 20.94 O ATOM 1461 CB GLN B 35 14.843 1.869 -27.225 1.00 19.99 C ATOM 1462 CG GLN B 35 13.434 2.355 -27.529 1.00 21.36 C ATOM 1463 CD GLN B 35 13.183 2.480 -29.019 1.00 22.21 C ATOM 1464 OE1 GLN B 35 14.029 3.003 -29.763 1.00 23.57 O ATOM 1465 NE2 GLN B 35 12.043 1.991 -29.466 1.00 20.49 N ATOM 1466 HE22 GLN B 35 11.366 1.562 -28.803 1.00 0.00 H ATOM 1467 HE21 GLN B 35 11.821 2.034 -30.481 1.00 0.00 H ATOM 1468 H GLN B 35 14.642 -0.419 -25.550 1.00 0.00 H ATOM 1469 N PRO B 36 17.286 0.361 -28.549 1.00 24.64 N ATOM 1470 CA PRO B 36 18.743 0.311 -28.482 1.00 27.30 C ATOM 1471 C PRO B 36 19.235 1.519 -27.715 1.00 30.26 C ATOM 1472 O PRO B 36 18.769 2.631 -27.968 1.00 33.84 O ATOM 1473 CB PRO B 36 19.166 0.387 -29.951 1.00 27.57 C ATOM 1474 CG PRO B 36 18.040 1.096 -30.633 1.00 27.55 C ATOM 1475 CD PRO B 36 16.795 0.697 -29.904 1.00 26.27 C ATOM 1476 N GLY B 37 20.133 1.300 -26.759 1.00 31.25 N ATOM 1477 CA GLY B 37 20.709 2.392 -25.982 1.00 31.32 C ATOM 1478 C GLY B 37 22.215 2.453 -26.085 1.00 31.11 C ATOM 1479 O GLY B 37 22.855 1.564 -26.652 1.00 29.67 O ATOM 1480 H GLY B 37 20.433 0.324 -26.560 1.00 0.00 H ATOM 1481 N VAL B 38 22.770 3.500 -25.484 1.00 33.49 N ATOM 1482 CA VAL B 38 24.212 3.743 -25.481 1.00 35.08 C ATOM 1483 C VAL B 38 24.944 2.585 -24.805 1.00 33.19 C ATOM 1484 O VAL B 38 25.946 2.104 -25.322 1.00 33.63 O ATOM 1485 CB VAL B 38 24.580 5.077 -24.770 1.00 38.14 C ATOM 1486 CG1 VAL B 38 26.081 5.355 -24.901 1.00 39.25 C ATOM 1487 CG2 VAL B 38 23.750 6.245 -25.321 1.00 39.58 C ATOM 1488 H VAL B 38 22.151 4.177 -24.994 1.00 0.00 H ATOM 1489 N HIS B 39 24.416 2.117 -23.673 1.00 31.51 N ATOM 1490 CA HIS B 39 25.065 1.051 -22.900 1.00 30.41 C ATOM 1491 C HIS B 39 24.484 -0.341 -23.105 1.00 27.00 C ATOM 1492 O HIS B 39 25.018 -1.315 -22.572 1.00 26.49 O ATOM 1493 CB HIS B 39 25.021 1.404 -21.416 1.00 32.75 C ATOM 1494 CG HIS B 39 25.642 2.726 -21.110 1.00 35.43 C ATOM 1495 ND1 HIS B 39 26.989 2.964 -21.278 1.00 38.01 N ATOM 1496 CD2 HIS B 39 25.102 3.888 -20.677 1.00 36.74 C ATOM 1497 CE1 HIS B 39 27.253 4.217 -20.952 1.00 38.50 C ATOM 1498 NE2 HIS B 39 26.124 4.797 -20.580 1.00 38.91 N ATOM 1499 H HIS B 39 23.520 2.518 -23.329 1.00 0.00 H ATOM 1500 N GLY B 40 23.411 -0.441 -23.876 1.00 23.52 N ATOM 1501 CA GLY B 40 22.747 -1.717 -24.092 1.00 22.26 C ATOM 1502 C GLY B 40 21.284 -1.501 -24.399 1.00 19.93 C ATOM 1503 O GLY B 40 20.846 -0.386 -24.672 1.00 21.38 O ATOM 1504 H GLY B 40 23.035 0.412 -24.337 1.00 0.00 H ATOM 1505 N ARG B 41 20.544 -2.590 -24.339 1.00 18.55 N ATOM 1506 CA ARG B 41 19.137 -2.603 -24.647 1.00 17.21 C ATOM 1507 C ARG B 41 18.406 -1.948 -23.483 1.00 15.56 C ATOM 1508 O ARG B 41 18.509 -2.430 -22.347 1.00 14.90 O ATOM 1509 CB ARG B 41 18.684 -4.055 -24.821 1.00 18.01 C ATOM 1510 CG ARG B 41 17.236 -4.281 -25.185 1.00 19.30 C ATOM 1511 CD ARG B 41 16.932 -5.772 -25.262 1.00 20.63 C ATOM 1512 NE ARG B 41 15.503 -6.069 -25.383 1.00 21.82 N ATOM 1513 CZ ARG B 41 14.992 -7.305 -25.413 1.00 23.02 C ATOM 1514 NH1 ARG B 41 15.769 -8.382 -25.315 1.00 23.32 N ATOM 1515 NH2 ARG B 41 13.680 -7.477 -25.523 1.00 24.51 N ATOM 1516 HE ARG B 41 14.843 -5.268 -25.450 1.00 0.00 H ATOM 1517 HH12 ARG B 41 15.347 -9.332 -25.341 1.00 0.00 H ATOM 1518 HH11 ARG B 41 16.798 -8.273 -25.212 1.00 0.00 H ATOM 1519 HH22 ARG B 41 13.282 -8.437 -25.546 1.00 0.00 H ATOM 1520 HH21 ARG B 41 13.051 -6.651 -25.586 1.00 0.00 H ATOM 1521 H ARG B 41 20.997 -3.482 -24.056 1.00 0.00 H ATOM 1522 N TRP B 42 17.687 -0.869 -23.786 1.00 14.26 N ATOM 1523 CA TRP B 42 16.861 -0.136 -22.813 1.00 13.64 C ATOM 1524 C TRP B 42 15.487 -0.777 -22.772 1.00 14.09 C ATOM 1525 O TRP B 42 14.685 -0.593 -23.682 1.00 14.76 O ATOM 1526 CB TRP B 42 16.745 1.325 -23.205 1.00 14.07 C ATOM 1527 CG TRP B 42 15.934 2.135 -22.243 1.00 14.39 C ATOM 1528 CD1 TRP B 42 14.591 2.343 -22.275 1.00 16.02 C ATOM 1529 CD2 TRP B 42 16.419 2.821 -21.101 1.00 14.64 C ATOM 1530 NE1 TRP B 42 14.204 3.143 -21.223 1.00 15.91 N ATOM 1531 CE2 TRP B 42 15.319 3.458 -20.495 1.00 14.49 C ATOM 1532 CE3 TRP B 42 17.690 2.999 -20.552 1.00 14.51 C ATOM 1533 CZ2 TRP B 42 15.451 4.235 -19.347 1.00 15.55 C ATOM 1534 CZ3 TRP B 42 17.812 3.764 -19.408 1.00 14.83 C ATOM 1535 CH2 TRP B 42 16.700 4.383 -18.835 1.00 14.64 C ATOM 1536 HE1 TRP B 42 13.233 3.454 -21.018 1.00 0.00 H ATOM 1537 H TRP B 42 17.710 -0.524 -24.767 1.00 0.00 H ATOM 1538 N LEU B 43 15.206 -1.502 -21.690 1.00 13.00 N ATOM 1539 CA LEU B 43 14.018 -2.327 -21.547 1.00 12.91 C ATOM 1540 C LEU B 43 13.297 -1.846 -20.302 1.00 12.40 C ATOM 1541 O LEU B 43 13.790 -2.049 -19.187 1.00 12.11 O ATOM 1542 CB LEU B 43 14.404 -3.801 -21.404 1.00 14.26 C ATOM 1543 CG LEU B 43 13.322 -4.863 -21.159 1.00 15.85 C ATOM 1544 CD1 LEU B 43 12.354 -4.921 -22.321 1.00 17.21 C ATOM 1545 CD2 LEU B 43 13.951 -6.236 -20.954 1.00 15.62 C ATOM 1546 H LEU B 43 15.879 -1.476 -20.898 1.00 0.00 H ATOM 1547 N GLN B 44 12.159 -1.190 -20.515 1.00 11.57 N ATOM 1548 CA GLN B 44 11.465 -0.447 -19.466 1.00 11.48 C ATOM 1549 C GLN B 44 10.041 -0.979 -19.298 1.00 10.80 C ATOM 1550 O GLN B 44 9.292 -1.024 -20.274 1.00 11.02 O ATOM 1551 CB GLN B 44 11.455 1.029 -19.850 1.00 11.84 C ATOM 1552 CG GLN B 44 10.839 1.938 -18.782 1.00 12.17 C ATOM 1553 CD GLN B 44 10.905 3.402 -19.174 1.00 13.23 C ATOM 1554 OE1 GLN B 44 11.403 3.747 -20.258 1.00 14.91 O ATOM 1555 NE2 GLN B 44 10.398 4.265 -18.326 1.00 14.02 N ATOM 1556 HE22 GLN B 44 9.990 3.934 -17.428 1.00 0.00 H ATOM 1557 HE21 GLN B 44 10.404 5.280 -18.551 1.00 0.00 H ATOM 1558 H GLN B 44 11.746 -1.207 -21.469 1.00 0.00 H ATOM 1559 N VAL B 45 9.681 -1.351 -18.070 1.00 10.08 N ATOM 1560 CA VAL B 45 8.411 -1.969 -17.750 1.00 10.66 C ATOM 1561 C VAL B 45 7.812 -1.315 -16.514 1.00 11.17 C ATOM 1562 O VAL B 45 8.542 -0.752 -15.688 1.00 11.83 O ATOM 1563 CB VAL B 45 8.566 -3.481 -17.480 1.00 10.15 C ATOM 1564 CG1 VAL B 45 9.016 -4.179 -18.759 1.00 10.20 C ATOM 1565 CG2 VAL B 45 9.530 -3.788 -16.322 1.00 10.25 C ATOM 1566 H VAL B 45 10.353 -1.187 -17.294 1.00 0.00 H ATOM 1567 N ALA B 46 6.497 -1.377 -16.372 1.00 11.66 N ATOM 1568 CA ALA B 46 5.868 -0.768 -15.183 1.00 12.64 C ATOM 1569 C ALA B 46 4.486 -1.313 -14.950 1.00 13.64 C ATOM 1570 O ALA B 46 3.819 -1.681 -15.911 1.00 14.17 O ATOM 1571 CB ALA B 46 5.775 0.726 -15.334 1.00 12.83 C ATOM 1572 H ALA B 46 5.913 -1.850 -17.091 1.00 0.00 H ATOM 1573 N PRO B 47 4.047 -1.354 -13.682 1.00 14.72 N ATOM 1574 CA PRO B 47 2.633 -1.635 -13.457 1.00 16.43 C ATOM 1575 C PRO B 47 1.777 -0.669 -14.266 1.00 16.53 C ATOM 1576 O PRO B 47 2.109 0.510 -14.397 1.00 15.56 O ATOM 1577 CB PRO B 47 2.477 -1.387 -11.955 1.00 16.21 C ATOM 1578 CG PRO B 47 3.807 -1.706 -11.385 1.00 15.33 C ATOM 1579 CD PRO B 47 4.757 -1.122 -12.409 1.00 15.38 C ATOM 1580 N LYS B 48 0.677 -1.165 -14.832 1.00 18.96 N ATOM 1581 CA LYS B 48 -0.219 -0.311 -15.598 1.00 20.58 C ATOM 1582 C LYS B 48 -0.626 0.922 -14.801 1.00 18.95 C ATOM 1583 O LYS B 48 -1.098 0.790 -13.674 1.00 18.98 O ATOM 1584 CB LYS B 48 -1.496 -1.068 -15.998 1.00 23.93 C ATOM 1585 CG LYS B 48 -2.437 -0.223 -16.867 1.00 27.53 C ATOM 1586 CD LYS B 48 -3.506 -1.057 -17.581 1.00 31.00 C ATOM 1587 CE LYS B 48 -2.948 -1.953 -18.685 1.00 32.72 C ATOM 1588 NZ LYS B 48 -2.342 -1.206 -19.826 1.00 33.90 N ATOM 1589 HZ1 LYS B 48 -3.063 -0.595 -20.261 1.00 0.00 H ATOM 1590 HZ2 LYS B 48 -1.555 -0.622 -19.478 1.00 0.00 H ATOM 1591 HZ3 LYS B 48 -1.987 -1.882 -20.532 1.00 0.00 H ATOM 1592 H LYS B 48 0.456 -2.176 -14.725 1.00 0.00 H ATOM 1593 N GLY B 49 -0.418 2.099 -15.395 1.00 18.64 N ATOM 1594 CA GLY B 49 -0.845 3.368 -14.823 1.00 18.63 C ATOM 1595 C GLY B 49 0.086 3.959 -13.779 1.00 17.80 C ATOM 1596 O GLY B 49 -0.194 5.032 -13.262 1.00 19.15 O ATOM 1597 H GLY B 49 0.073 2.110 -16.312 1.00 0.00 H ATOM 1598 N ALA B 50 1.194 3.278 -13.477 1.00 15.81 N ATOM 1599 CA ALA B 50 2.050 3.689 -12.362 1.00 14.25 C ATOM 1600 C ALA B 50 3.055 4.759 -12.755 1.00 13.29 C ATOM 1601 O ALA B 50 3.519 4.815 -13.906 1.00 13.30 O ATOM 1602 CB ALA B 50 2.780 2.485 -11.778 1.00 14.33 C ATOM 1603 H ALA B 50 1.453 2.444 -14.042 1.00 0.00 H ATOM 1604 N ASP B 51 3.431 5.572 -11.770 1.00 12.25 N ATOM 1605 CA ASP B 51 4.384 6.666 -11.989 1.00 12.27 C ATOM 1606 C ASP B 51 5.819 6.171 -12.168 1.00 11.24 C ATOM 1607 O ASP B 51 6.569 6.718 -13.003 1.00 12.19 O ATOM 1608 CB ASP B 51 4.325 7.670 -10.826 1.00 12.50 C ATOM 1609 CG ASP B 51 3.019 8.435 -10.775 1.00 14.05 C ATOM 1610 OD1 ASP B 51 2.372 8.666 -11.839 1.00 17.12 O ATOM 1611 OD2 ASP B 51 2.599 8.799 -9.663 1.00 13.99 O ATOM 1612 H ASP B 51 3.038 5.428 -10.818 1.00 0.00 H ATOM 1613 N THR B 52 6.214 5.187 -11.371 1.00 10.22 N ATOM 1614 CA THR B 52 7.601 4.723 -11.320 1.00 9.72 C ATOM 1615 C THR B 52 7.760 3.451 -12.124 1.00 9.87 C ATOM 1616 O THR B 52 7.050 2.482 -11.859 1.00 9.03 O ATOM 1617 CB THR B 52 8.025 4.471 -9.872 1.00 9.56 C ATOM 1618 OG1 THR B 52 7.890 5.693 -9.126 1.00 9.12 O ATOM 1619 CG2 THR B 52 9.474 3.983 -9.832 1.00 9.69 C ATOM 1620 HG1 THR B 52 8.468 6.389 -9.528 1.00 0.00 H ATOM 1621 H THR B 52 5.510 4.727 -10.758 1.00 0.00 H ATOM 1622 N SER B 53 8.702 3.439 -13.066 1.00 9.60 N ATOM 1623 CA SER B 53 8.973 2.260 -13.905 1.00 9.76 C ATOM 1624 C SER B 53 10.310 1.607 -13.521 1.00 9.70 C ATOM 1625 O SER B 53 11.070 2.152 -12.728 1.00 9.05 O ATOM 1626 CB SER B 53 8.919 2.628 -15.400 1.00 10.71 C ATOM 1627 OG SER B 53 9.762 3.721 -15.702 1.00 12.05 O ATOM 1628 HG SER B 53 9.478 4.510 -15.176 1.00 0.00 H ATOM 1629 H SER B 53 9.269 4.298 -13.215 1.00 0.00 H ATOM 1630 N LEU B 54 10.534 0.412 -14.069 1.00 9.91 N ATOM 1631 CA LEU B 54 11.730 -0.382 -13.807 1.00 10.40 C ATOM 1632 C LEU B 54 12.452 -0.494 -15.125 1.00 10.04 C ATOM 1633 O LEU B 54 11.809 -0.717 -16.153 1.00 9.58 O ATOM 1634 CB LEU B 54 11.340 -1.797 -13.332 1.00 12.05 C ATOM 1635 CG LEU B 54 10.548 -1.864 -12.021 1.00 14.20 C ATOM 1636 CD1 LEU B 54 9.098 -1.456 -12.205 1.00 14.64 C ATOM 1637 CD2 LEU B 54 10.648 -3.261 -11.482 1.00 15.03 C ATOM 1638 H LEU B 54 9.819 0.026 -14.717 1.00 0.00 H ATOM 1639 N VAL B 55 13.773 -0.391 -15.115 1.00 9.40 N ATOM 1640 CA VAL B 55 14.552 -0.672 -16.330 1.00 9.58 C ATOM 1641 C VAL B 55 15.379 -1.924 -16.061 1.00 9.46 C ATOM 1642 O VAL B 55 16.038 -2.038 -15.016 1.00 9.75 O ATOM 1643 CB VAL B 55 15.438 0.519 -16.704 1.00 10.10 C ATOM 1644 CG1 VAL B 55 16.142 0.286 -18.043 1.00 10.69 C ATOM 1645 CG2 VAL B 55 14.584 1.762 -16.822 1.00 10.39 C ATOM 1646 H VAL B 55 14.262 -0.109 -14.242 1.00 0.00 H ATOM 1647 N LEU B 56 15.312 -2.882 -16.995 1.00 9.29 N ATOM 1648 CA LEU B 56 15.916 -4.198 -16.821 1.00 10.07 C ATOM 1649 C LEU B 56 17.264 -4.172 -17.528 1.00 10.57 C ATOM 1650 O LEU B 56 17.339 -4.269 -18.761 1.00 11.10 O ATOM 1651 CB LEU B 56 14.959 -5.266 -17.366 1.00 10.33 C ATOM 1652 CG LEU B 56 13.503 -5.228 -16.869 1.00 10.71 C ATOM 1653 CD1 LEU B 56 12.712 -6.357 -17.506 1.00 10.42 C ATOM 1654 CD2 LEU B 56 13.364 -5.318 -15.358 1.00 11.25 C ATOM 1655 H LEU B 56 14.808 -2.679 -17.882 1.00 0.00 H ATOM 1656 N VAL B 57 18.312 -3.944 -16.742 1.00 10.15 N ATOM 1657 CA VAL B 57 19.634 -3.584 -17.266 1.00 10.82 C ATOM 1658 C VAL B 57 20.636 -4.703 -17.123 1.00 11.47 C ATOM 1659 O VAL B 57 20.491 -5.554 -16.248 1.00 11.95 O ATOM 1660 CB VAL B 57 20.214 -2.353 -16.536 1.00 10.80 C ATOM 1661 CG1 VAL B 57 19.253 -1.189 -16.653 1.00 11.11 C ATOM 1662 CG2 VAL B 57 20.507 -2.637 -15.057 1.00 11.25 C ATOM 1663 H VAL B 57 18.189 -4.024 -15.712 1.00 0.00 H ATOM 1664 N ASP B 58 21.682 -4.689 -17.950 1.00 12.20 N ATOM 1665 CA ASP B 58 22.762 -5.664 -17.820 1.00 13.27 C ATOM 1666 C ASP B 58 24.161 -5.022 -17.855 1.00 14.17 C ATOM 1667 O ASP B 58 25.140 -5.753 -18.017 1.00 16.91 O ATOM 1668 CB ASP B 58 22.640 -6.774 -18.886 1.00 14.11 C ATOM 1669 CG ASP B 58 22.862 -6.277 -20.324 1.00 14.90 C ATOM 1670 OD1 ASP B 58 23.013 -5.072 -20.571 1.00 15.05 O ATOM 1671 OD2 ASP B 58 22.849 -7.145 -21.230 1.00 16.47 O ATOM 1672 H ASP B 58 21.730 -3.971 -18.701 1.00 0.00 H ATOM 1673 N TRP B 59 24.255 -3.707 -17.672 1.00 13.93 N ATOM 1674 CA TRP B 59 25.501 -2.955 -17.911 1.00 15.02 C ATOM 1675 C TRP B 59 26.124 -2.250 -16.704 1.00 15.51 C ATOM 1676 O TRP B 59 26.990 -1.403 -16.885 1.00 17.12 O ATOM 1677 CB TRP B 59 25.281 -1.934 -19.028 1.00 14.91 C ATOM 1678 CG TRP B 59 24.226 -0.890 -18.789 1.00 15.43 C ATOM 1679 CD1 TRP B 59 24.335 0.271 -18.075 1.00 16.01 C ATOM 1680 CD2 TRP B 59 22.926 -0.904 -19.329 1.00 14.98 C ATOM 1681 NE1 TRP B 59 23.150 0.963 -18.109 1.00 16.61 N ATOM 1682 CE2 TRP B 59 22.267 0.266 -18.894 1.00 15.64 C ATOM 1683 CE3 TRP B 59 22.239 -1.806 -20.154 1.00 15.07 C ATOM 1684 CZ2 TRP B 59 20.953 0.543 -19.239 1.00 15.81 C ATOM 1685 CZ3 TRP B 59 20.963 -1.536 -20.499 1.00 15.27 C ATOM 1686 CH2 TRP B 59 20.316 -0.361 -20.055 1.00 15.42 C ATOM 1687 HE1 TRP B 59 22.955 1.862 -17.623 1.00 0.00 H ATOM 1688 H TRP B 59 23.414 -3.188 -17.347 1.00 0.00 H ATOM 1689 N PHE B 60 25.690 -2.578 -15.493 1.00 15.09 N ATOM 1690 CA PHE B 60 26.247 -1.991 -14.281 1.00 13.89 C ATOM 1691 C PHE B 60 27.022 -3.052 -13.519 1.00 14.21 C ATOM 1692 O PHE B 60 26.430 -3.889 -12.838 1.00 13.93 O ATOM 1693 CB PHE B 60 25.130 -1.422 -13.403 1.00 13.39 C ATOM 1694 CG PHE B 60 24.442 -0.219 -13.979 1.00 13.02 C ATOM 1695 CD1 PHE B 60 25.150 0.915 -14.360 1.00 12.84 C ATOM 1696 CD2 PHE B 60 23.049 -0.176 -14.037 1.00 13.29 C ATOM 1697 CE1 PHE B 60 24.498 2.035 -14.850 1.00 13.36 C ATOM 1698 CE2 PHE B 60 22.396 0.943 -14.524 1.00 13.25 C ATOM 1699 CZ PHE B 60 23.121 2.042 -14.934 1.00 13.44 C ATOM 1700 H PHE B 60 24.926 -3.278 -15.406 1.00 0.00 H ATOM 1701 N PRO B 61 28.353 -3.024 -13.602 1.00 14.89 N ATOM 1702 CA PRO B 61 29.091 -4.124 -12.951 1.00 14.89 C ATOM 1703 C PRO B 61 28.932 -4.178 -11.435 1.00 13.72 C ATOM 1704 O PRO B 61 29.137 -5.243 -10.848 1.00 15.82 O ATOM 1705 CB PRO B 61 30.563 -3.846 -13.297 1.00 16.63 C ATOM 1706 CG PRO B 61 30.543 -2.857 -14.377 1.00 16.69 C ATOM 1707 CD PRO B 61 29.247 -2.106 -14.334 1.00 15.65 C ATOM 1708 N THR B 62 28.538 -3.069 -10.806 1.00 11.99 N ATOM 1709 CA THR B 62 28.295 -3.051 -9.358 1.00 11.59 C ATOM 1710 C THR B 62 26.945 -3.638 -8.964 1.00 11.65 C ATOM 1711 O THR B 62 26.686 -3.819 -7.766 1.00 11.28 O ATOM 1712 CB THR B 62 28.394 -1.633 -8.759 1.00 11.39 C ATOM 1713 OG1 THR B 62 27.401 -0.789 -9.356 1.00 11.00 O ATOM 1714 CG2 THR B 62 29.775 -1.045 -8.991 1.00 11.76 C ATOM 1715 HG1 THR B 62 27.551 -0.745 -10.334 1.00 0.00 H ATOM 1716 H THR B 62 28.400 -2.196 -11.355 1.00 0.00 H ATOM 1717 N MET B 63 26.118 -3.957 -9.956 1.00 11.31 N ATOM 1718 CA MET B 63 24.820 -4.602 -9.752 1.00 11.48 C ATOM 1719 C MET B 63 24.811 -5.902 -10.537 1.00 11.49 C ATOM 1720 O MET B 63 24.290 -5.969 -11.648 1.00 11.29 O ATOM 1721 CB MET B 63 23.716 -3.671 -10.242 1.00 11.65 C ATOM 1722 CG MET B 63 23.690 -2.378 -9.468 1.00 11.30 C ATOM 1723 SD MET B 63 22.493 -1.184 -10.071 1.00 12.29 S ATOM 1724 CE MET B 63 20.979 -2.111 -10.179 1.00 13.56 C ATOM 1725 H MET B 63 26.410 -3.736 -10.930 1.00 0.00 H ATOM 1726 N PRO B 64 25.353 -6.975 -9.938 1.00 11.67 N ATOM 1727 CA PRO B 64 25.310 -8.239 -10.663 1.00 12.11 C ATOM 1728 C PRO B 64 23.876 -8.747 -10.915 1.00 11.77 C ATOM 1729 O PRO B 64 22.969 -8.461 -10.138 1.00 10.48 O ATOM 1730 CB PRO B 64 26.052 -9.195 -9.724 1.00 12.19 C ATOM 1731 CG PRO B 64 26.891 -8.336 -8.855 1.00 12.49 C ATOM 1732 CD PRO B 64 26.129 -7.055 -8.692 1.00 12.16 C ATOM 1733 N PRO B 65 23.657 -9.506 -11.983 1.00 12.07 N ATOM 1734 CA PRO B 65 22.330 -10.061 -12.216 1.00 12.30 C ATOM 1735 C PRO B 65 21.852 -10.889 -11.021 1.00 11.60 C ATOM 1736 O PRO B 65 22.620 -11.711 -10.482 1.00 12.41 O ATOM 1737 CB PRO B 65 22.529 -10.966 -13.442 1.00 13.45 C ATOM 1738 CG PRO B 65 23.987 -11.240 -13.464 1.00 13.63 C ATOM 1739 CD PRO B 65 24.649 -10.003 -12.954 1.00 13.57 C ATOM 1740 N GLY B 66 20.622 -10.644 -10.586 1.00 10.69 N ATOM 1741 CA GLY B 66 20.042 -11.404 -9.496 1.00 10.77 C ATOM 1742 C GLY B 66 20.361 -10.931 -8.095 1.00 10.52 C ATOM 1743 O GLY B 66 19.928 -11.549 -7.119 1.00 10.84 O ATOM 1744 H GLY B 66 20.063 -9.891 -11.036 1.00 0.00 H ATOM 1745 N SER B 67 21.086 -9.818 -8.001 1.00 9.78 N ATOM 1746 CA SER B 67 21.579 -9.254 -6.731 1.00 9.85 C ATOM 1747 C SER B 67 20.565 -8.391 -5.984 1.00 9.93 C ATOM 1748 O SER B 67 20.773 -8.052 -4.816 1.00 9.74 O ATOM 1749 CB SER B 67 22.841 -8.425 -6.954 1.00 9.89 C ATOM 1750 OG SER B 67 22.638 -7.276 -7.768 1.00 10.03 O ATOM 1751 HG SER B 67 22.310 -7.558 -8.659 1.00 0.00 H ATOM 1752 H SER B 67 21.320 -9.314 -8.880 1.00 0.00 H ATOM 1753 N LEU B 68 19.479 -8.026 -6.647 1.00 9.90 N ATOM 1754 CA LEU B 68 18.565 -7.060 -6.052 1.00 9.97 C ATOM 1755 C LEU B 68 17.664 -7.698 -4.991 1.00 9.73 C ATOM 1756 O LEU B 68 17.208 -8.830 -5.151 1.00 9.46 O ATOM 1757 CB LEU B 68 17.768 -6.385 -7.138 1.00 10.78 C ATOM 1758 CG LEU B 68 16.812 -5.276 -6.740 1.00 11.96 C ATOM 1759 CD1 LEU B 68 16.635 -4.207 -7.802 1.00 12.00 C ATOM 1760 CD2 LEU B 68 15.472 -5.935 -6.483 1.00 12.98 C ATOM 1761 H LEU B 68 19.280 -8.426 -7.586 1.00 0.00 H ATOM 1762 N ARG B 69 17.403 -6.926 -3.939 1.00 9.23 N ATOM 1763 CA ARG B 69 16.555 -7.299 -2.826 1.00 9.94 C ATOM 1764 C ARG B 69 15.751 -6.063 -2.408 1.00 10.21 C ATOM 1765 O ARG B 69 16.101 -4.922 -2.752 1.00 10.43 O ATOM 1766 CB ARG B 69 17.403 -7.729 -1.624 1.00 9.64 C ATOM 1767 CG ARG B 69 18.406 -8.856 -1.853 1.00 10.00 C ATOM 1768 CD ARG B 69 17.700 -10.177 -2.065 1.00 10.02 C ATOM 1769 NE ARG B 69 18.674 -11.262 -2.199 1.00 10.32 N ATOM 1770 CZ ARG B 69 19.281 -11.601 -3.332 1.00 11.14 C ATOM 1771 NH1 ARG B 69 20.171 -12.580 -3.310 1.00 12.01 N ATOM 1772 NH2 ARG B 69 19.019 -11.007 -4.486 1.00 11.08 N ATOM 1773 HE ARG B 69 18.908 -11.807 -1.345 1.00 0.00 H ATOM 1774 HH12 ARG B 69 20.657 -12.861 -4.186 1.00 0.00 H ATOM 1775 HH11 ARG B 69 20.384 -13.069 -2.417 1.00 0.00 H ATOM 1776 HH22 ARG B 69 19.518 -11.304 -5.349 1.00 0.00 H ATOM 1777 HH21 ARG B 69 18.314 -10.243 -4.530 1.00 0.00 H ATOM 1778 H ARG B 69 17.841 -5.983 -3.914 1.00 0.00 H ATOM 1779 N GLY B 70 14.693 -6.306 -1.644 1.00 11.04 N ATOM 1780 CA GLY B 70 13.975 -5.229 -0.982 1.00 11.57 C ATOM 1781 C GLY B 70 13.135 -4.409 -1.940 1.00 12.12 C ATOM 1782 O GLY B 70 12.973 -3.182 -1.721 1.00 11.50 O ATOM 1783 H GLY B 70 14.371 -7.287 -1.516 1.00 0.00 H ATOM 1784 N LEU B 71 12.630 -5.057 -2.996 1.00 12.46 N ATOM 1785 CA LEU B 71 11.721 -4.430 -3.971 1.00 12.71 C ATOM 1786 C LEU B 71 10.341 -4.973 -3.682 1.00 13.14 C ATOM 1787 O LEU B 71 10.125 -6.175 -3.812 1.00 15.22 O ATOM 1788 CB LEU B 71 12.142 -4.772 -5.396 1.00 13.61 C ATOM 1789 CG LEU B 71 11.589 -3.952 -6.575 1.00 15.72 C ATOM 1790 CD1 LEU B 71 12.242 -4.413 -7.871 1.00 16.00 C ATOM 1791 CD2 LEU B 71 10.106 -4.035 -6.714 1.00 17.98 C ATOM 1792 H LEU B 71 12.892 -6.054 -3.136 1.00 0.00 H ATOM 1793 N LEU B 72 9.414 -4.104 -3.302 1.00 11.77 N ATOM 1794 CA LEU B 72 8.056 -4.523 -2.895 1.00 11.25 C ATOM 1795 C LEU B 72 7.010 -3.879 -3.792 1.00 10.25 C ATOM 1796 O LEU B 72 7.064 -2.674 -4.013 1.00 10.09 O ATOM 1797 CB LEU B 72 7.836 -4.035 -1.473 1.00 12.98 C ATOM 1798 CG LEU B 72 6.644 -4.506 -0.721 1.00 15.38 C ATOM 1799 CD1 LEU B 72 6.778 -6.006 -0.473 1.00 16.18 C ATOM 1800 CD2 LEU B 72 6.512 -3.720 0.578 1.00 16.17 C ATOM 1801 H LEU B 72 9.651 -3.091 -3.290 1.00 0.00 H ATOM 1802 N LEU B 73 6.054 -4.674 -4.288 1.00 9.96 N ATOM 1803 CA LEU B 73 5.000 -4.203 -5.158 1.00 10.72 C ATOM 1804 C LEU B 73 3.725 -4.091 -4.344 1.00 11.52 C ATOM 1805 O LEU B 73 3.379 -5.042 -3.664 1.00 11.98 O ATOM 1806 CB LEU B 73 4.797 -5.189 -6.304 1.00 10.59 C ATOM 1807 CG LEU B 73 6.021 -5.567 -7.150 1.00 10.56 C ATOM 1808 CD1 LEU B 73 5.638 -6.524 -8.256 1.00 10.89 C ATOM 1809 CD2 LEU B 73 6.652 -4.326 -7.758 1.00 11.13 C ATOM 1810 H LEU B 73 6.070 -5.682 -4.034 1.00 0.00 H ATOM 1811 N ARG B 74 3.021 -2.961 -4.438 1.00 12.88 N ATOM 1812 CA ARG B 74 1.755 -2.808 -3.749 1.00 14.91 C ATOM 1813 C ARG B 74 0.668 -3.475 -4.592 1.00 13.98 C ATOM 1814 O ARG B 74 0.596 -3.261 -5.811 1.00 13.66 O ATOM 1815 CB ARG B 74 1.379 -1.344 -3.511 1.00 16.88 C ATOM 1816 CG ARG B 74 0.259 -1.208 -2.465 1.00 21.26 C ATOM 1817 CD ARG B 74 -0.655 -0.050 -2.758 1.00 25.58 C ATOM 1818 NE ARG B 74 -1.544 0.250 -1.630 1.00 28.83 N ATOM 1819 CZ ARG B 74 -2.607 -0.464 -1.233 1.00 31.89 C ATOM 1820 NH1 ARG B 74 -2.982 -1.590 -1.845 1.00 32.13 N ATOM 1821 NH2 ARG B 74 -3.303 -0.037 -0.178 1.00 31.83 N ATOM 1822 HE ARG B 74 -1.327 1.106 -1.081 1.00 0.00 H ATOM 1823 HH12 ARG B 74 -3.813 -2.114 -1.505 1.00 0.00 H ATOM 1824 HH11 ARG B 74 -2.443 -1.943 -2.661 1.00 0.00 H ATOM 1825 HH22 ARG B 74 -4.132 -0.573 0.150 1.00 0.00 H ATOM 1826 HH21 ARG B 74 -3.017 0.832 0.317 1.00 0.00 H ATOM 1827 H ARG B 74 3.387 -2.177 -5.015 1.00 0.00 H ATOM 1828 N THR B 75 -0.156 -4.292 -3.938 1.00 14.16 N ATOM 1829 CA THR B 75 -1.271 -4.950 -4.617 1.00 15.58 C ATOM 1830 C THR B 75 -2.540 -4.752 -3.808 1.00 16.34 C ATOM 1831 O THR B 75 -2.477 -4.604 -2.599 1.00 16.50 O ATOM 1832 CB THR B 75 -1.023 -6.454 -4.861 1.00 15.63 C ATOM 1833 OG1 THR B 75 -2.238 -7.073 -5.341 1.00 16.46 O ATOM 1834 CG2 THR B 75 -0.533 -7.162 -3.613 1.00 16.01 C ATOM 1835 HG1 THR B 75 -2.076 -8.037 -5.497 1.00 0.00 H ATOM 1836 H THR B 75 -0.003 -4.465 -2.924 1.00 0.00 H ATOM 1837 N ASP B 76 -3.678 -4.754 -4.502 1.00 18.65 N ATOM 1838 CA ASP B 76 -4.985 -4.651 -3.853 1.00 20.21 C ATOM 1839 C ASP B 76 -5.544 -6.029 -3.510 1.00 20.63 C ATOM 1840 O ASP B 76 -6.580 -6.122 -2.849 1.00 21.60 O ATOM 1841 CB ASP B 76 -5.957 -3.885 -4.767 1.00 22.66 C ATOM 1842 CG ASP B 76 -5.454 -2.480 -5.111 1.00 26.34 C ATOM 1843 OD1 ASP B 76 -5.040 -1.755 -4.187 1.00 29.57 O ATOM 1844 OD2 ASP B 76 -5.462 -2.101 -6.307 1.00 34.63 O ATOM 1845 H ASP B 76 -3.635 -4.831 -5.538 1.00 0.00 H ATOM 1846 N ASP B 77 -4.857 -7.098 -3.926 1.00 17.90 N ATOM 1847 CA ASP B 77 -5.319 -8.455 -3.664 1.00 17.57 C ATOM 1848 C ASP B 77 -4.140 -9.427 -3.691 1.00 15.98 C ATOM 1849 O ASP B 77 -3.904 -10.147 -4.672 1.00 16.09 O ATOM 1850 CB ASP B 77 -6.412 -8.844 -4.663 1.00 18.74 C ATOM 1851 CG ASP B 77 -7.164 -10.115 -4.261 1.00 20.05 C ATOM 1852 OD1 ASP B 77 -6.682 -10.918 -3.413 1.00 20.01 O ATOM 1853 OD2 ASP B 77 -8.244 -10.327 -4.860 1.00 23.77 O ATOM 1854 H ASP B 77 -3.970 -6.957 -4.450 1.00 0.00 H ATOM 1855 N VAL B 78 -3.409 -9.455 -2.589 1.00 14.92 N ATOM 1856 CA VAL B 78 -2.188 -10.274 -2.528 1.00 13.99 C ATOM 1857 C VAL B 78 -2.463 -11.774 -2.698 1.00 14.51 C ATOM 1858 O VAL B 78 -1.726 -12.469 -3.381 1.00 14.30 O ATOM 1859 CB VAL B 78 -1.328 -9.993 -1.274 1.00 13.84 C ATOM 1860 CG1 VAL B 78 -2.035 -10.422 0.019 1.00 13.80 C ATOM 1861 CG2 VAL B 78 0.030 -10.673 -1.415 1.00 13.70 C ATOM 1862 H VAL B 78 -3.699 -8.895 -1.762 1.00 0.00 H ATOM 1863 N ASP B 79 -3.549 -12.267 -2.116 1.00 14.81 N ATOM 1864 CA ASP B 79 -3.866 -13.693 -2.280 1.00 15.08 C ATOM 1865 C ASP B 79 -4.179 -14.102 -3.712 1.00 14.59 C ATOM 1866 O ASP B 79 -3.634 -15.095 -4.190 1.00 14.16 O ATOM 1867 CB ASP B 79 -4.987 -14.087 -1.333 1.00 15.83 C ATOM 1868 CG ASP B 79 -4.531 -14.048 0.107 1.00 17.64 C ATOM 1869 OD1 ASP B 79 -4.204 -12.958 0.588 1.00 20.18 O ATOM 1870 OD2 ASP B 79 -4.462 -15.111 0.753 1.00 21.56 O ATOM 1871 H ASP B 79 -4.168 -11.652 -1.551 1.00 0.00 H ATOM 1872 N ALA B 80 -5.021 -13.335 -4.400 1.00 13.98 N ATOM 1873 CA ALA B 80 -5.327 -13.587 -5.814 1.00 14.49 C ATOM 1874 C ALA B 80 -4.078 -13.488 -6.709 1.00 14.48 C ATOM 1875 O ALA B 80 -3.877 -14.294 -7.625 1.00 14.91 O ATOM 1876 CB ALA B 80 -6.401 -12.625 -6.308 1.00 15.37 C ATOM 1877 H ALA B 80 -5.477 -12.532 -3.921 1.00 0.00 H ATOM 1878 N ASP B 81 -3.244 -12.482 -6.440 1.00 14.60 N ATOM 1879 CA ASP B 81 -1.996 -12.347 -7.175 1.00 14.79 C ATOM 1880 C ASP B 81 -1.059 -13.521 -6.985 1.00 13.93 C ATOM 1881 O ASP B 81 -0.467 -14.010 -7.935 1.00 14.51 O ATOM 1882 CB ASP B 81 -1.278 -11.044 -6.798 1.00 14.44 C ATOM 1883 CG ASP B 81 -1.875 -9.834 -7.484 1.00 15.55 C ATOM 1884 OD1 ASP B 81 -2.742 -9.977 -8.377 1.00 15.62 O ATOM 1885 OD2 ASP B 81 -1.445 -8.716 -7.165 1.00 16.00 O ATOM 1886 H ASP B 81 -3.487 -11.791 -5.702 1.00 0.00 H ATOM 1887 N CYS B 82 -0.892 -13.965 -5.751 1.00 13.84 N ATOM 1888 CA CYS B 82 -0.091 -15.163 -5.486 1.00 13.37 C ATOM 1889 C CYS B 82 -0.663 -16.403 -6.179 1.00 13.69 C ATOM 1890 O CYS B 82 0.101 -17.246 -6.662 1.00 14.90 O ATOM 1891 CB CYS B 82 0.015 -15.419 -3.993 1.00 13.34 C ATOM 1892 SG CYS B 82 1.069 -14.236 -3.111 1.00 14.26 S ATOM 1893 H CYS B 82 -1.335 -13.458 -4.958 1.00 0.00 H ATOM 1894 N ALA B 83 -1.989 -16.515 -6.226 1.00 14.19 N ATOM 1895 CA ALA B 83 -2.603 -17.658 -6.922 1.00 14.43 C ATOM 1896 C ALA B 83 -2.281 -17.594 -8.413 1.00 14.99 C ATOM 1897 O ALA B 83 -1.886 -18.615 -9.006 1.00 15.48 O ATOM 1898 CB ALA B 83 -4.106 -17.738 -6.660 1.00 14.32 C ATOM 1899 H ALA B 83 -2.589 -15.797 -5.772 1.00 0.00 H ATOM 1900 N ARG B 84 -2.367 -16.396 -9.008 1.00 14.74 N ATOM 1901 CA ARG B 84 -1.968 -16.225 -10.426 1.00 15.76 C ATOM 1902 C ARG B 84 -0.505 -16.574 -10.650 1.00 16.03 C ATOM 1903 O ARG B 84 -0.171 -17.261 -11.612 1.00 15.91 O ATOM 1904 CB ARG B 84 -2.261 -14.807 -10.930 1.00 17.38 C ATOM 1905 CG ARG B 84 -3.736 -14.570 -11.190 1.00 18.42 C ATOM 1906 CD ARG B 84 -3.987 -13.159 -11.682 1.00 20.20 C ATOM 1907 NE ARG B 84 -4.105 -12.197 -10.580 1.00 19.87 N ATOM 1908 CZ ARG B 84 -5.230 -11.885 -9.933 1.00 20.42 C ATOM 1909 NH1 ARG B 84 -6.390 -12.474 -10.234 1.00 21.94 N ATOM 1910 NH2 ARG B 84 -5.208 -10.978 -8.964 1.00 20.59 N ATOM 1911 HE ARG B 84 -3.235 -11.716 -10.276 1.00 0.00 H ATOM 1912 HH12 ARG B 84 -7.254 -12.215 -9.717 1.00 0.00 H ATOM 1913 HH11 ARG B 84 -6.429 -13.192 -10.986 1.00 0.00 H ATOM 1914 HH22 ARG B 84 -6.084 -10.735 -8.460 1.00 0.00 H ATOM 1915 HH21 ARG B 84 -4.314 -10.511 -8.709 1.00 0.00 H ATOM 1916 H ARG B 84 -2.717 -15.578 -8.470 1.00 0.00 H ATOM 1917 N LEU B 85 0.376 -16.117 -9.755 1.00 15.83 N ATOM 1918 CA LEU B 85 1.799 -16.411 -9.900 1.00 16.52 C ATOM 1919 C LEU B 85 2.069 -17.906 -9.825 1.00 16.72 C ATOM 1920 O LEU B 85 2.826 -18.422 -10.643 1.00 17.24 O ATOM 1921 CB LEU B 85 2.649 -15.639 -8.881 1.00 15.96 C ATOM 1922 CG LEU B 85 2.778 -14.130 -9.115 1.00 16.37 C ATOM 1923 CD1 LEU B 85 3.437 -13.532 -7.890 1.00 16.75 C ATOM 1924 CD2 LEU B 85 3.558 -13.805 -10.383 1.00 16.81 C ATOM 1925 H LEU B 85 0.046 -15.548 -8.950 1.00 0.00 H ATOM 1926 N GLN B 86 1.413 -18.614 -8.897 1.00 17.15 N ATOM 1927 CA GLN B 86 1.565 -20.062 -8.761 1.00 18.24 C ATOM 1928 C GLN B 86 1.142 -20.750 -10.048 1.00 18.01 C ATOM 1929 O GLN B 86 1.866 -21.614 -10.546 1.00 17.76 O ATOM 1930 CB GLN B 86 0.723 -20.580 -7.582 1.00 19.19 C ATOM 1931 CG GLN B 86 0.978 -22.038 -7.184 1.00 19.42 C ATOM 1932 CD GLN B 86 0.408 -23.073 -8.152 1.00 20.59 C ATOM 1933 OE1 GLN B 86 1.029 -24.110 -8.408 1.00 20.61 O ATOM 1934 NE2 GLN B 86 -0.755 -22.791 -8.694 1.00 19.63 N ATOM 1935 HE22 GLN B 86 -1.242 -21.905 -8.449 1.00 0.00 H ATOM 1936 HE21 GLN B 86 -1.189 -23.453 -9.368 1.00 0.00 H ATOM 1937 H GLN B 86 0.771 -18.115 -8.248 1.00 0.00 H ATOM 1938 N GLU B 87 -0.017 -20.348 -10.582 1.00 19.09 N ATOM 1939 CA GLU B 87 -0.563 -20.904 -11.851 1.00 20.81 C ATOM 1940 C GLU B 87 0.356 -20.697 -13.025 1.00 21.39 C ATOM 1941 O GLU B 87 0.373 -21.505 -13.953 1.00 23.75 O ATOM 1942 CB GLU B 87 -1.913 -20.278 -12.215 1.00 22.80 C ATOM 1943 CG GLU B 87 -3.058 -20.724 -11.333 1.00 24.95 C ATOM 1944 CD GLU B 87 -4.322 -19.878 -11.488 1.00 27.45 C ATOM 1945 OE1 GLU B 87 -4.338 -18.896 -12.262 1.00 28.24 O ATOM 1946 OE2 GLU B 87 -5.308 -20.193 -10.791 1.00 30.02 O ATOM 1947 H GLU B 87 -0.562 -19.613 -10.088 1.00 0.00 H ATOM 1948 N ARG B 88 1.117 -19.605 -12.988 1.00 20.49 N ATOM 1949 CA ARG B 88 2.070 -19.267 -14.038 1.00 19.38 C ATOM 1950 C ARG B 88 3.462 -19.845 -13.821 1.00 19.46 C ATOM 1951 O ARG B 88 4.373 -19.507 -14.575 1.00 20.50 O ATOM 1952 CB ARG B 88 2.137 -17.746 -14.180 1.00 19.26 C ATOM 1953 CG ARG B 88 0.793 -17.148 -14.575 1.00 19.92 C ATOM 1954 CD ARG B 88 0.726 -15.629 -14.469 1.00 20.57 C ATOM 1955 NE ARG B 88 -0.651 -15.158 -14.664 1.00 20.44 N ATOM 1956 CZ ARG B 88 -1.033 -13.890 -14.808 1.00 21.62 C ATOM 1957 NH1 ARG B 88 -2.319 -13.621 -14.965 1.00 22.62 N ATOM 1958 NH2 ARG B 88 -0.153 -12.877 -14.787 1.00 21.65 N ATOM 1959 HE ARG B 88 -1.397 -15.882 -14.692 1.00 0.00 H ATOM 1960 HH12 ARG B 88 -2.634 -12.636 -15.079 1.00 0.00 H ATOM 1961 HH11 ARG B 88 -3.015 -14.394 -14.975 1.00 0.00 H ATOM 1962 HH22 ARG B 88 -0.484 -11.898 -14.902 1.00 0.00 H ATOM 1963 HH21 ARG B 88 0.860 -13.071 -14.655 1.00 0.00 H ATOM 1964 H ARG B 88 1.027 -18.965 -12.174 1.00 0.00 H ATOM 1965 N GLY B 89 3.630 -20.696 -12.805 1.00 18.99 N ATOM 1966 CA GLY B 89 4.857 -21.428 -12.568 1.00 18.44 C ATOM 1967 C GLY B 89 5.861 -20.801 -11.613 1.00 17.71 C ATOM 1968 O GLY B 89 6.978 -21.299 -11.474 1.00 18.81 O ATOM 1969 H GLY B 89 2.836 -20.841 -12.149 1.00 0.00 H ATOM 1970 N VAL B 90 5.449 -19.756 -10.903 1.00 17.35 N ATOM 1971 CA VAL B 90 6.358 -19.052 -9.990 1.00 17.42 C ATOM 1972 C VAL B 90 6.221 -19.655 -8.599 1.00 17.66 C ATOM 1973 O VAL B 90 5.100 -19.903 -8.144 1.00 17.65 O ATOM 1974 CB VAL B 90 6.024 -17.555 -9.928 1.00 17.46 C ATOM 1975 CG1 VAL B 90 6.884 -16.828 -8.894 1.00 17.29 C ATOM 1976 CG2 VAL B 90 6.190 -16.942 -11.304 1.00 18.08 C ATOM 1977 H VAL B 90 4.465 -19.431 -10.996 1.00 0.00 H ATOM 1978 N ALA B 91 7.359 -19.858 -7.945 1.00 16.96 N ATOM 1979 CA ALA B 91 7.411 -20.367 -6.571 1.00 16.98 C ATOM 1980 C ALA B 91 7.310 -19.181 -5.629 1.00 16.54 C ATOM 1981 O ALA B 91 8.208 -18.330 -5.585 1.00 17.49 O ATOM 1982 CB ALA B 91 8.688 -21.132 -6.328 1.00 17.13 C ATOM 1983 H ALA B 91 8.254 -19.646 -8.430 1.00 0.00 H ATOM 1984 N VAL B 92 6.223 -19.132 -4.871 1.00 15.93 N ATOM 1985 CA VAL B 92 5.912 -18.008 -4.002 1.00 15.39 C ATOM 1986 C VAL B 92 6.117 -18.422 -2.558 1.00 15.86 C ATOM 1987 O VAL B 92 5.827 -19.566 -2.202 1.00 15.68 O ATOM 1988 CB VAL B 92 4.447 -17.551 -4.217 1.00 15.37 C ATOM 1989 CG1 VAL B 92 4.030 -16.493 -3.196 1.00 16.14 C ATOM 1990 CG2 VAL B 92 4.236 -17.048 -5.648 1.00 15.74 C ATOM 1991 H VAL B 92 5.562 -19.935 -4.899 1.00 0.00 H ATOM 1992 N ASP B 93 6.589 -17.483 -1.731 1.00 15.13 N ATOM 1993 CA ASP B 93 6.737 -17.668 -0.280 1.00 16.41 C ATOM 1994 C ASP B 93 5.766 -16.750 0.450 1.00 16.00 C ATOM 1995 O ASP B 93 6.051 -15.566 0.615 1.00 15.01 O ATOM 1996 CB ASP B 93 8.176 -17.342 0.130 1.00 17.42 C ATOM 1997 CG ASP B 93 8.456 -17.622 1.596 1.00 18.68 C ATOM 1998 OD1 ASP B 93 7.535 -18.012 2.339 1.00 19.95 O ATOM 1999 OD2 ASP B 93 9.616 -17.449 2.012 1.00 21.27 O ATOM 2000 H ASP B 93 6.868 -16.568 -2.138 1.00 0.00 H ATOM 2001 N GLY B 94 4.652 -17.304 0.949 1.00 15.48 N ATOM 2002 CA GLY B 94 3.576 -16.507 1.526 1.00 14.90 C ATOM 2003 C GLY B 94 2.308 -16.629 0.711 1.00 14.44 C ATOM 2004 O GLY B 94 2.186 -17.538 -0.115 1.00 14.25 O ATOM 2005 H GLY B 94 4.552 -18.339 0.924 1.00 0.00 H ATOM 2006 N PRO B 95 1.343 -15.734 0.908 1.00 14.91 N ATOM 2007 CA PRO B 95 1.461 -14.547 1.743 1.00 15.07 C ATOM 2008 C PRO B 95 1.251 -14.865 3.207 1.00 15.24 C ATOM 2009 O PRO B 95 0.630 -15.888 3.556 1.00 15.76 O ATOM 2010 CB PRO B 95 0.327 -13.665 1.230 1.00 15.98 C ATOM 2011 CG PRO B 95 -0.716 -14.627 0.804 1.00 16.04 C ATOM 2012 CD PRO B 95 -0.014 -15.881 0.369 1.00 15.97 C ATOM 2013 N LYS B 96 1.781 -14.005 4.055 1.00 15.60 N ATOM 2014 CA LYS B 96 1.503 -14.063 5.482 1.00 17.52 C ATOM 2015 C LYS B 96 1.310 -12.666 6.052 1.00 17.47 C ATOM 2016 O LYS B 96 1.785 -11.667 5.495 1.00 16.41 O ATOM 2017 CB LYS B 96 2.597 -14.827 6.220 1.00 19.98 C ATOM 2018 CG LYS B 96 3.959 -14.177 6.210 1.00 23.11 C ATOM 2019 CD LYS B 96 4.999 -15.137 6.780 1.00 26.65 C ATOM 2020 CE LYS B 96 6.370 -14.484 6.894 1.00 30.41 C ATOM 2021 NZ LYS B 96 6.431 -13.395 7.916 1.00 33.11 N ATOM 2022 HZ1 LYS B 96 5.751 -12.649 7.667 1.00 0.00 H ATOM 2023 HZ2 LYS B 96 6.193 -13.785 8.851 1.00 0.00 H ATOM 2024 HZ3 LYS B 96 7.391 -12.997 7.939 1.00 0.00 H ATOM 2025 H LYS B 96 2.416 -13.265 3.693 1.00 0.00 H ATOM 2026 N ASN B 97 0.589 -12.604 7.164 1.00 17.45 N ATOM 2027 CA ASN B 97 0.368 -11.348 7.865 1.00 18.12 C ATOM 2028 C ASN B 97 1.639 -10.975 8.618 1.00 19.64 C ATOM 2029 O ASN B 97 2.235 -11.799 9.289 1.00 21.26 O ATOM 2030 CB ASN B 97 -0.844 -11.473 8.803 1.00 17.96 C ATOM 2031 CG ASN B 97 -2.142 -11.662 8.042 1.00 18.08 C ATOM 2032 OD1 ASN B 97 -2.298 -11.181 6.907 1.00 17.45 O ATOM 2033 ND2 ASN B 97 -3.088 -12.384 8.647 1.00 18.14 N ATOM 2034 HD22 ASN B 97 -2.919 -12.770 9.598 1.00 0.00 H ATOM 2035 HD21 ASN B 97 -3.994 -12.561 8.167 1.00 0.00 H ATOM 2036 H ASN B 97 0.170 -13.477 7.545 1.00 0.00 H ATOM 2037 N THR B 98 2.059 -9.729 8.445 1.00 20.52 N ATOM 2038 CA THR B 98 3.207 -9.163 9.144 1.00 21.50 C ATOM 2039 C THR B 98 2.732 -7.885 9.851 1.00 21.95 C ATOM 2040 O THR B 98 1.625 -7.400 9.596 1.00 22.55 O ATOM 2041 CB THR B 98 4.337 -8.799 8.151 1.00 21.47 C ATOM 2042 OG1 THR B 98 3.987 -7.596 7.477 1.00 21.24 O ATOM 2043 CG2 THR B 98 4.533 -9.919 7.132 1.00 21.42 C ATOM 2044 HG1 THR B 98 3.138 -7.730 6.985 1.00 0.00 H ATOM 2045 H THR B 98 1.542 -9.124 7.776 1.00 0.00 H ATOM 2046 N PRO B 99 3.592 -7.297 10.708 1.00 24.37 N ATOM 2047 CA PRO B 99 3.243 -6.008 11.307 1.00 25.82 C ATOM 2048 C PRO B 99 3.059 -4.897 10.289 1.00 26.31 C ATOM 2049 O PRO B 99 2.400 -3.900 10.570 1.00 27.78 O ATOM 2050 CB PRO B 99 4.437 -5.712 12.211 1.00 25.92 C ATOM 2051 CG PRO B 99 4.966 -7.041 12.567 1.00 25.97 C ATOM 2052 CD PRO B 99 4.776 -7.893 11.342 1.00 25.73 C ATOM 2053 N TRP B 100 3.635 -5.092 9.098 1.00 25.37 N ATOM 2054 CA TRP B 100 3.712 -4.079 8.093 1.00 25.69 C ATOM 2055 C TRP B 100 2.775 -4.350 6.913 1.00 24.36 C ATOM 2056 O TRP B 100 2.859 -3.648 5.911 1.00 28.55 O ATOM 2057 CB TRP B 100 5.177 -3.995 7.630 1.00 24.84 C ATOM 2058 CG TRP B 100 6.166 -4.088 8.783 1.00 23.91 C ATOM 2059 CD1 TRP B 100 6.445 -3.113 9.715 1.00 24.12 C ATOM 2060 CD2 TRP B 100 6.978 -5.216 9.138 1.00 24.46 C ATOM 2061 NE1 TRP B 100 7.392 -3.556 10.598 1.00 22.92 N ATOM 2062 CE2 TRP B 100 7.736 -4.843 10.276 1.00 24.86 C ATOM 2063 CE3 TRP B 100 7.159 -6.499 8.593 1.00 25.78 C ATOM 2064 CZ2 TRP B 100 8.654 -5.705 10.881 1.00 25.71 C ATOM 2065 CZ3 TRP B 100 8.059 -7.359 9.200 1.00 26.03 C ATOM 2066 CH2 TRP B 100 8.800 -6.957 10.333 1.00 26.45 C ATOM 2067 HE1 TRP B 100 7.787 -3.005 11.386 1.00 0.00 H ATOM 2068 H TRP B 100 4.046 -6.025 8.893 1.00 0.00 H ATOM 2069 N GLY B 101 1.893 -5.355 7.022 1.00 22.36 N ATOM 2070 CA GLY B 101 0.943 -5.682 5.956 1.00 19.73 C ATOM 2071 C GLY B 101 0.977 -7.172 5.612 1.00 18.08 C ATOM 2072 O GLY B 101 1.697 -7.948 6.239 1.00 19.23 O ATOM 2073 H GLY B 101 1.883 -5.922 7.894 1.00 0.00 H ATOM 2074 N ARG B 102 0.206 -7.553 4.602 1.00 15.49 N ATOM 2075 CA ARG B 102 0.116 -8.953 4.182 1.00 14.74 C ATOM 2076 C ARG B 102 1.044 -9.146 2.974 1.00 13.98 C ATOM 2077 O ARG B 102 0.826 -8.576 1.900 1.00 14.05 O ATOM 2078 CB ARG B 102 -1.330 -9.307 3.876 1.00 14.24 C ATOM 2079 CG ARG B 102 -1.540 -10.806 3.638 1.00 14.23 C ATOM 2080 CD ARG B 102 -3.008 -11.176 3.556 1.00 14.48 C ATOM 2081 NE ARG B 102 -3.212 -12.560 3.129 1.00 14.19 N ATOM 2082 CZ ARG B 102 -3.083 -13.630 3.913 1.00 14.39 C ATOM 2083 NH1 ARG B 102 -2.716 -13.521 5.195 1.00 14.26 N ATOM 2084 NH2 ARG B 102 -3.319 -14.837 3.408 1.00 14.13 N ATOM 2085 HE ARG B 102 -3.478 -12.722 2.137 1.00 0.00 H ATOM 2086 HH12 ARG B 102 -2.623 -14.373 5.784 1.00 0.00 H ATOM 2087 HH11 ARG B 102 -2.523 -12.584 5.603 1.00 0.00 H ATOM 2088 HH22 ARG B 102 -3.222 -15.680 4.009 1.00 0.00 H ATOM 2089 HH21 ARG B 102 -3.601 -14.938 2.412 1.00 0.00 H ATOM 2090 H ARG B 102 -0.351 -6.837 4.094 1.00 0.00 H ATOM 2091 N GLN B 103 2.072 -9.967 3.159 1.00 13.67 N ATOM 2092 CA GLN B 103 3.245 -9.951 2.264 1.00 15.19 C ATOM 2093 C GLN B 103 3.631 -11.301 1.759 1.00 13.90 C ATOM 2094 O GLN B 103 3.500 -12.286 2.471 1.00 13.72 O ATOM 2095 CB GLN B 103 4.460 -9.341 2.975 1.00 17.69 C ATOM 2096 CG GLN B 103 4.218 -7.904 3.347 1.00 21.18 C ATOM 2097 CD GLN B 103 5.467 -7.127 3.768 1.00 25.23 C ATOM 2098 OE1 GLN B 103 5.349 -6.143 4.508 1.00 33.63 O ATOM 2099 NE2 GLN B 103 6.651 -7.529 3.270 1.00 25.86 N ATOM 2100 HE22 GLN B 103 6.699 -8.364 2.651 1.00 0.00 H ATOM 2101 HE21 GLN B 103 7.518 -7.005 3.504 1.00 0.00 H ATOM 2102 H GLN B 103 2.049 -10.637 3.954 1.00 0.00 H ATOM 2103 N ALA B 104 4.093 -11.329 0.505 1.00 12.82 N ATOM 2104 CA ALA B 104 4.649 -12.531 -0.102 1.00 13.05 C ATOM 2105 C ALA B 104 5.915 -12.178 -0.858 1.00 13.81 C ATOM 2106 O ALA B 104 6.131 -11.014 -1.142 1.00 15.92 O ATOM 2107 CB ALA B 104 3.641 -13.176 -1.042 1.00 13.43 C ATOM 2108 H ALA B 104 4.054 -10.457 -0.060 1.00 0.00 H ATOM 2109 N MET B 105 6.743 -13.176 -1.144 1.00 13.70 N ATOM 2110 CA MET B 105 8.016 -12.988 -1.832 1.00 15.70 C ATOM 2111 C MET B 105 8.156 -14.015 -2.941 1.00 14.38 C ATOM 2112 O MET B 105 7.663 -15.145 -2.844 1.00 13.41 O ATOM 2113 CB MET B 105 9.201 -13.145 -0.865 1.00 18.05 C ATOM 2114 CG MET B 105 9.116 -12.354 0.424 1.00 22.61 C ATOM 2115 SD MET B 105 9.129 -10.581 0.183 1.00 29.69 S ATOM 2116 CE MET B 105 10.744 -10.310 -0.531 1.00 28.38 C ATOM 2117 H MET B 105 6.471 -14.140 -0.864 1.00 0.00 H ATOM 2118 N PHE B 106 8.838 -13.610 -4.004 1.00 13.18 N ATOM 2119 CA PHE B 106 9.166 -14.512 -5.102 1.00 13.04 C ATOM 2120 C PHE B 106 10.388 -13.991 -5.831 1.00 13.26 C ATOM 2121 O PHE B 106 10.843 -12.897 -5.563 1.00 13.41 O ATOM 2122 CB PHE B 106 7.991 -14.710 -6.065 1.00 13.25 C ATOM 2123 CG PHE B 106 7.543 -13.466 -6.788 1.00 12.67 C ATOM 2124 CD1 PHE B 106 6.686 -12.537 -6.182 1.00 13.20 C ATOM 2125 CD2 PHE B 106 7.944 -13.235 -8.109 1.00 12.59 C ATOM 2126 CE1 PHE B 106 6.286 -11.397 -6.866 1.00 13.58 C ATOM 2127 CE2 PHE B 106 7.527 -12.105 -8.797 1.00 13.10 C ATOM 2128 CZ PHE B 106 6.711 -11.179 -8.164 1.00 13.59 C ATOM 2129 H PHE B 106 9.148 -12.619 -4.056 1.00 0.00 H ATOM 2130 N SER B 107 10.951 -14.826 -6.693 1.00 13.07 N ATOM 2131 CA SER B 107 12.178 -14.488 -7.416 1.00 13.41 C ATOM 2132 C SER B 107 11.906 -14.349 -8.897 1.00 13.31 C ATOM 2133 O SER B 107 11.080 -15.055 -9.443 1.00 12.71 O ATOM 2134 CB SER B 107 13.227 -15.577 -7.181 1.00 14.60 C ATOM 2135 OG SER B 107 13.656 -15.536 -5.832 1.00 16.52 O ATOM 2136 HG SER B 107 12.881 -15.689 -5.236 1.00 0.00 H ATOM 2137 H SER B 107 10.507 -15.751 -6.861 1.00 0.00 H ATOM 2138 N ASP B 108 12.625 -13.441 -9.545 1.00 12.14 N ATOM 2139 CA ASP B 108 12.603 -13.380 -11.021 1.00 12.13 C ATOM 2140 C ASP B 108 13.580 -14.422 -11.601 1.00 12.09 C ATOM 2141 O ASP B 108 14.238 -15.130 -10.855 1.00 12.28 O ATOM 2142 CB ASP B 108 12.824 -11.932 -11.484 1.00 11.88 C ATOM 2143 CG ASP B 108 14.278 -11.485 -11.490 1.00 11.73 C ATOM 2144 OD1 ASP B 108 15.211 -12.213 -11.083 1.00 11.52 O ATOM 2145 OD2 ASP B 108 14.446 -10.339 -11.974 1.00 11.67 O ATOM 2146 H ASP B 108 13.209 -12.767 -9.010 1.00 0.00 H ATOM 2147 N PRO B 109 13.672 -14.519 -12.944 1.00 12.78 N ATOM 2148 CA PRO B 109 14.563 -15.548 -13.488 1.00 13.75 C ATOM 2149 C PRO B 109 16.022 -15.480 -13.045 1.00 13.98 C ATOM 2150 O PRO B 109 16.687 -16.518 -12.983 1.00 15.97 O ATOM 2151 CB PRO B 109 14.453 -15.324 -15.000 1.00 13.52 C ATOM 2152 CG PRO B 109 13.088 -14.792 -15.199 1.00 13.96 C ATOM 2153 CD PRO B 109 12.870 -13.891 -13.997 1.00 13.46 C ATOM 2154 N ASP B 110 16.544 -14.288 -12.761 1.00 13.88 N ATOM 2155 CA ASP B 110 17.928 -14.162 -12.296 1.00 13.96 C ATOM 2156 C ASP B 110 18.117 -14.359 -10.803 1.00 13.72 C ATOM 2157 O ASP B 110 19.238 -14.499 -10.312 1.00 14.58 O ATOM 2158 CB ASP B 110 18.499 -12.801 -12.717 1.00 14.66 C ATOM 2159 CG ASP B 110 18.815 -12.748 -14.191 1.00 14.89 C ATOM 2160 OD1 ASP B 110 19.754 -13.458 -14.591 1.00 18.13 O ATOM 2161 OD2 ASP B 110 18.116 -12.070 -14.949 1.00 16.26 O ATOM 2162 H ASP B 110 15.961 -13.434 -12.871 1.00 0.00 H ATOM 2163 N GLY B 111 17.020 -14.369 -10.057 1.00 13.33 N ATOM 2164 CA GLY B 111 17.102 -14.498 -8.633 1.00 12.62 C ATOM 2165 C GLY B 111 16.968 -13.194 -7.873 1.00 12.20 C ATOM 2166 O GLY B 111 17.173 -13.172 -6.662 1.00 11.89 O ATOM 2167 H GLY B 111 16.089 -14.282 -10.512 1.00 0.00 H ATOM 2168 N ASN B 112 16.618 -12.105 -8.562 1.00 10.93 N ATOM 2169 CA ASN B 112 16.256 -10.881 -7.854 1.00 10.63 C ATOM 2170 C ASN B 112 15.003 -11.203 -7.036 1.00 10.78 C ATOM 2171 O ASN B 112 14.097 -11.901 -7.521 1.00 11.05 O ATOM 2172 CB ASN B 112 15.976 -9.728 -8.810 1.00 10.13 C ATOM 2173 CG ASN B 112 17.189 -9.309 -9.619 1.00 9.61 C ATOM 2174 OD1 ASN B 112 18.258 -8.961 -9.073 1.00 10.02 O ATOM 2175 ND2 ASN B 112 17.028 -9.316 -10.943 1.00 9.33 N ATOM 2176 HD22 ASN B 112 16.121 -9.613 -11.355 1.00 0.00 H ATOM 2177 HD21 ASN B 112 17.810 -9.024 -11.563 1.00 0.00 H ATOM 2178 H ASN B 112 16.603 -12.129 -9.602 1.00 0.00 H ATOM 2179 N VAL B 113 14.934 -10.701 -5.803 1.00 10.64 N ATOM 2180 CA VAL B 113 13.852 -11.046 -4.892 1.00 11.15 C ATOM 2181 C VAL B 113 12.807 -9.913 -4.882 1.00 11.33 C ATOM 2182 O VAL B 113 13.133 -8.751 -4.545 1.00 12.36 O ATOM 2183 CB VAL B 113 14.358 -11.377 -3.477 1.00 11.48 C ATOM 2184 CG1 VAL B 113 13.159 -11.760 -2.595 1.00 11.78 C ATOM 2185 CG2 VAL B 113 15.349 -12.534 -3.536 1.00 12.07 C ATOM 2186 H VAL B 113 15.674 -10.044 -5.483 1.00 0.00 H ATOM 2187 N ILE B 114 11.572 -10.270 -5.235 1.00 11.64 N ATOM 2188 CA ILE B 114 10.458 -9.341 -5.424 1.00 11.94 C ATOM 2189 C ILE B 114 9.360 -9.665 -4.437 1.00 12.11 C ATOM 2190 O ILE B 114 8.945 -10.832 -4.310 1.00 12.14 O ATOM 2191 CB ILE B 114 9.826 -9.482 -6.822 1.00 12.39 C ATOM 2192 CG1 ILE B 114 10.872 -9.297 -7.904 1.00 12.80 C ATOM 2193 CG2 ILE B 114 8.689 -8.475 -6.999 1.00 12.26 C ATOM 2194 CD1 ILE B 114 10.315 -9.556 -9.275 1.00 12.86 C ATOM 2195 H ILE B 114 11.387 -11.282 -5.387 1.00 0.00 H ATOM 2196 N GLY B 115 8.867 -8.631 -3.759 1.00 11.84 N ATOM 2197 CA GLY B 115 7.814 -8.799 -2.755 1.00 12.09 C ATOM 2198 C GLY B 115 6.478 -8.255 -3.242 1.00 11.83 C ATOM 2199 O GLY B 115 6.411 -7.414 -4.140 1.00 11.34 O ATOM 2200 H GLY B 115 9.239 -7.678 -3.947 1.00 0.00 H ATOM 2201 N LEU B 116 5.396 -8.791 -2.665 1.00 11.94 N ATOM 2202 CA LEU B 116 4.050 -8.276 -2.850 1.00 12.50 C ATOM 2203 C LEU B 116 3.584 -7.863 -1.469 1.00 12.37 C ATOM 2204 O LEU B 116 3.831 -8.584 -0.519 1.00 12.81 O ATOM 2205 CB LEU B 116 3.089 -9.352 -3.385 1.00 13.76 C ATOM 2206 CG LEU B 116 3.284 -9.857 -4.804 1.00 14.62 C ATOM 2207 CD1 LEU B 116 2.245 -10.944 -5.107 1.00 15.72 C ATOM 2208 CD2 LEU B 116 3.229 -8.754 -5.848 1.00 16.39 C ATOM 2209 H LEU B 116 5.526 -9.621 -2.051 1.00 0.00 H ATOM 2210 N ASN B 117 2.863 -6.754 -1.374 1.00 12.48 N ATOM 2211 CA ASN B 117 2.279 -6.311 -0.112 1.00 13.16 C ATOM 2212 C ASN B 117 0.916 -5.687 -0.335 1.00 13.77 C ATOM 2213 O ASN B 117 0.747 -4.857 -1.223 1.00 12.40 O ATOM 2214 CB ASN B 117 3.184 -5.284 0.574 1.00 13.97 C ATOM 2215 CG ASN B 117 2.599 -4.775 1.893 1.00 15.60 C ATOM 2216 OD1 ASN B 117 2.348 -5.558 2.810 1.00 19.31 O ATOM 2217 ND2 ASN B 117 2.330 -3.500 1.965 1.00 16.17 N ATOM 2218 HD22 ASN B 117 2.559 -2.874 1.166 1.00 0.00 H ATOM 2219 HD21 ASN B 117 1.887 -3.110 2.821 1.00 0.00 H ATOM 2220 H ASN B 117 2.709 -6.181 -2.228 1.00 0.00 H ATOM 2221 N GLN B 118 -0.038 -6.103 0.497 1.00 15.42 N ATOM 2222 CA GLN B 118 -1.355 -5.487 0.604 1.00 18.43 C ATOM 2223 C GLN B 118 -1.431 -4.957 2.042 1.00 21.03 C ATOM 2224 O GLN B 118 -1.379 -5.746 2.990 1.00 19.00 O ATOM 2225 CB GLN B 118 -2.440 -6.536 0.337 1.00 19.97 C ATOM 2226 CG GLN B 118 -3.872 -6.003 0.367 1.00 19.78 C ATOM 2227 CD GLN B 118 -4.942 -7.062 0.106 1.00 22.05 C ATOM 2228 OE1 GLN B 118 -4.690 -8.142 -0.418 1.00 20.14 O ATOM 2229 NE2 GLN B 118 -6.176 -6.736 0.495 1.00 24.10 N ATOM 2230 HE22 GLN B 118 -6.355 -5.811 0.936 1.00 0.00 H ATOM 2231 HE21 GLN B 118 -6.959 -7.407 0.357 1.00 0.00 H ATOM 2232 H GLN B 118 0.170 -6.918 1.108 1.00 0.00 H ATOM 2233 N PRO B 119 -1.503 -3.625 2.215 1.00 26.74 N ATOM 2234 CA PRO B 119 -1.524 -3.066 3.570 1.00 29.87 C ATOM 2235 C PRO B 119 -2.810 -3.359 4.338 1.00 32.11 C ATOM 2236 O PRO B 119 -3.836 -3.671 3.722 1.00 34.97 O ATOM 2237 CB PRO B 119 -1.378 -1.553 3.323 1.00 31.72 C ATOM 2238 CG PRO B 119 -0.740 -1.443 1.984 1.00 30.70 C ATOM 2239 CD PRO B 119 -1.317 -2.575 1.199 1.00 28.88 C TER 2240 PRO B 119 HETATM 2241 O HOH 1 26.923 16.837 -18.010 1.00 35.20 O HETATM 2242 O HOH 2 7.344 18.707 -8.080 1.00 24.94 O HETATM 2243 O HOH 3 19.686 -9.651 5.206 1.00 28.37 O HETATM 2244 O HOH 4 0.957 8.509 -2.856 1.00 18.69 O HETATM 2245 O HOH 5 -0.310 8.472 -8.452 1.00 36.50 O HETATM 2246 O HOH 6 29.774 14.445 3.939 1.00 18.67 O HETATM 2247 O HOH 7 8.465 17.653 4.256 1.00 33.43 O HETATM 2248 O HOH 8 9.649 16.044 0.212 1.00 21.50 O HETATM 2249 O HOH 9 -4.788 -14.991 -14.828 1.00 47.39 O HETATM 2250 O HOH 10 4.254 16.773 -3.054 1.00 34.01 O HETATM 2251 O HOH 11 25.066 20.959 -20.148 1.00 30.71 O HETATM 2252 O HOH 12 29.778 8.445 8.435 1.00 34.66 O HETATM 2253 O HOH 13 29.785 6.745 -7.257 1.00 26.01 O HETATM 2254 O HOH 14 6.436 3.622 6.246 1.00 26.44 O HETATM 2255 O HOH 15 21.435 7.023 -11.506 1.00 16.17 O HETATM 2256 O HOH 16 2.168 5.277 -9.128 1.00 11.88 O HETATM 2257 O HOH 17 13.236 -2.777 11.906 1.00 22.24 O HETATM 2258 O HOH 18 8.593 7.897 -6.172 1.00 8.97 O HETATM 2259 O HOH 19 2.615 3.363 -1.897 1.00 27.32 O HETATM 2260 O HOH 20 26.342 -8.599 -5.450 1.00 23.83 O HETATM 2261 O HOH 21 20.938 28.861 -5.038 1.00 38.43 O HETATM 2262 O HOH 22 18.068 10.136 13.627 1.00 35.18 O HETATM 2263 O HOH 23 -1.381 2.093 -11.197 1.00 19.96 O HETATM 2264 O HOH 24 23.996 27.075 -6.640 1.00 26.90 O HETATM 2265 O HOH 25 21.941 19.852 3.079 1.00 38.78 O HETATM 2266 O HOH 26 5.805 3.735 -0.444 1.00 10.07 O HETATM 2267 O HOH 27 30.798 -0.891 -1.064 1.00 33.64 O HETATM 2268 O HOH 28 24.708 22.782 -17.813 1.00 26.46 O HETATM 2269 O HOH 29 7.960 10.954 9.934 1.00 29.75 O HETATM 2270 O HOH 30 14.935 27.105 -13.293 1.00 32.45 O HETATM 2271 O HOH 31 27.770 14.120 -6.275 1.00 10.68 O HETATM 2272 O HOH 32 20.310 -1.303 10.063 1.00 15.98 O HETATM 2273 O HOH 33 28.014 -6.492 0.914 1.00 32.80 O HETATM 2274 O HOH 34 17.291 -1.444 -5.622 1.00 14.25 O HETATM 2275 O HOH 35 14.711 23.623 -15.269 1.00 19.18 O HETATM 2276 O HOH 36 11.117 11.341 -19.785 1.00 23.98 O HETATM 2277 O HOH 37 13.677 9.804 13.682 1.00 39.82 O HETATM 2278 O HOH 38 21.617 -9.632 -0.097 1.00 14.85 O HETATM 2279 O HOH 39 30.124 3.460 -5.712 1.00 28.21 O HETATM 2280 O HOH 40 15.942 24.571 -18.537 1.00 41.23 O HETATM 2281 O HOH 41 -1.035 -5.190 -12.334 1.00 31.90 O HETATM 2282 O HOH 42 17.461 -8.307 8.442 1.00 36.30 O HETATM 2283 O HOH 43 26.109 -0.277 8.098 1.00 26.18 O HETATM 2284 O HOH 44 15.331 20.030 3.099 1.00 28.81 O HETATM 2285 O HOH 45 21.081 26.505 1.281 1.00 38.63 O HETATM 2286 O HOH 46 5.027 6.342 -0.495 1.00 12.24 O HETATM 2287 O HOH 47 4.842 4.310 -8.843 1.00 9.90 O HETATM 2288 O HOH 48 24.526 7.050 1.293 1.00 12.85 O HETATM 2289 O HOH 49 26.415 6.673 4.565 1.00 19.28 O HETATM 2290 O HOH 50 22.096 -4.142 9.727 1.00 26.07 O HETATM 2291 O HOH 51 14.356 -5.646 4.063 1.00 42.98 O HETATM 2292 O HOH 52 18.295 1.904 -9.578 1.00 7.92 O HETATM 2293 O HOH 53 24.598 -1.579 2.301 1.00 18.45 O HETATM 2294 O HOH 54 23.612 15.740 4.219 1.00 24.42 O HETATM 2295 O HOH 55 30.456 3.309 0.707 1.00 37.28 O HETATM 2296 O HOH 56 1.452 10.247 -6.076 1.00 27.77 O HETATM 2297 O HOH 57 26.047 -3.230 4.176 1.00 32.16 O HETATM 2298 O HOH 58 24.887 -5.958 4.121 1.00 33.15 O HETATM 2299 O HOH 59 24.694 13.436 4.892 1.00 24.80 O HETATM 2300 O HOH 60 17.456 14.203 8.797 1.00 37.34 O HETATM 2301 O HOH 61 12.695 19.879 -19.934 1.00 37.48 O HETATM 2302 O HOH 62 15.762 5.691 14.885 1.00 29.30 O HETATM 2303 O HOH 63 15.692 27.442 -15.815 1.00 35.18 O HETATM 2304 O HOH 64 17.168 27.148 -7.288 1.00 34.97 O HETATM 2305 O HOH 65 19.291 21.502 2.932 1.00 36.17 O HETATM 2306 O HOH 66 22.025 3.626 12.351 1.00 30.30 O HETATM 2307 O HOH 67 12.698 27.593 -7.183 1.00 38.86 O HETATM 2308 O HOH 68 12.861 15.987 -2.835 1.00 20.11 O HETATM 2309 O HOH 69 12.775 17.221 3.823 1.00 24.14 O HETATM 2310 O HOH 70 21.265 25.071 -12.726 1.00 28.71 O HETATM 2311 O HOH 71 22.752 -2.506 -5.595 1.00 20.64 O HETATM 2312 O HOH 72 5.039 2.425 1.954 1.00 14.75 O HETATM 2313 O HOH 73 26.937 8.993 12.146 1.00 44.57 O HETATM 2314 O HOH 74 23.747 -5.075 -6.169 1.00 24.34 O HETATM 2315 O HOH 75 24.401 3.075 10.431 1.00 24.35 O HETATM 2316 O HOH 76 29.928 9.591 -3.505 1.00 27.08 O HETATM 2317 O HOH 77 26.498 14.601 6.712 1.00 27.48 O HETATM 2318 O HOH 78 28.397 19.628 -15.255 1.00 28.59 O HETATM 2319 O HOH 79 18.749 25.532 -0.667 1.00 23.43 O HETATM 2320 O HOH 80 27.576 21.177 -8.090 1.00 18.95 O HETATM 2321 O HOH 81 8.929 6.148 12.179 1.00 25.28 O HETATM 2322 O HOH 82 22.498 -3.518 1.759 1.00 12.37 O HETATM 2323 O HOH 83 14.012 -3.356 2.315 1.00 25.32 O HETATM 2324 O HOH 84 23.493 5.747 -13.088 1.00 16.86 O HETATM 2325 O HOH 85 11.575 19.325 -0.428 1.00 33.94 O HETATM 2326 O HOH 86 -1.575 3.482 -7.484 1.00 34.88 O HETATM 2327 O HOH 87 11.697 25.177 -8.336 1.00 23.05 O HETATM 2328 O HOH 88 20.575 21.070 -26.450 1.00 29.02 O HETATM 2329 O HOH 89 12.779 -5.531 12.718 1.00 39.53 O HETATM 2330 O HOH 90 8.278 18.071 -16.931 1.00 44.69 O HETATM 2331 O HOH 91 10.489 14.772 6.804 1.00 12.39 O HETATM 2332 O HOH 92 1.777 -0.058 3.728 1.00 28.65 O HETATM 2333 O HOH 93 27.378 26.488 -4.092 1.00 26.11 O HETATM 2334 O HOH 94 26.037 -3.422 7.570 1.00 44.35 O HETATM 2335 O HOH 95 28.567 14.592 -9.737 1.00 26.38 O HETATM 2336 O HOH 96 25.852 -4.703 1.931 1.00 29.39 O HETATM 2337 O HOH 97 16.222 18.157 -22.822 1.00 45.48 O HETATM 2338 O HOH 98 30.474 6.687 2.995 1.00 35.95 O HETATM 2339 O HOH 99 14.042 20.837 0.153 1.00 7.20 O HETATM 2340 O HOH 100 29.461 2.553 -12.748 1.00 37.13 O HETATM 2341 O HOH 101 9.301 18.275 -22.609 1.00 47.68 O HETATM 2342 O HOH 102 0.361 5.461 -2.436 1.00 20.11 O HETATM 2343 O HOH 103 19.408 16.562 -26.669 1.00 37.90 O HETATM 2344 O HOH 104 27.262 11.701 -10.430 1.00 41.10 O HETATM 2345 O HOH 105 30.585 13.571 -6.358 1.00 29.86 O HETATM 2346 O HOH 106 28.947 7.203 4.821 1.00 32.60 O HETATM 2347 O HOH 107 17.685 27.938 -12.157 1.00 30.62 O HETATM 2348 O HOH 108 30.157 16.685 -10.844 1.00 40.36 O HETATM 2349 O HOH 109 3.800 11.706 -6.973 1.00 20.21 O HETATM 2350 O HOH 110 17.989 -1.303 14.828 1.00 28.58 O HETATM 2351 O HOH 111 29.639 12.035 2.479 1.00 29.26 O HETATM 2352 O HOH 112 18.391 4.884 15.659 1.00 36.42 O HETATM 2353 O HOH 113 23.485 24.673 -11.374 1.00 36.77 O HETATM 2354 O HOH 114 31.044 11.751 0.195 1.00 30.38 O HETATM 2355 O HOH 115 20.085 21.044 7.250 1.00 43.98 O HETATM 2356 O HOH 116 25.463 28.104 -4.668 1.00 33.18 O HETATM 2357 O HOH 117 27.752 1.927 10.141 1.00 35.99 O HETATM 2358 O HOH 118 9.600 8.873 11.527 1.00 40.88 O HETATM 2359 O HOH 119 10.706 -6.093 14.387 1.00 37.37 O HETATM 2360 O HOH 120 18.352 19.747 -27.136 1.00 37.95 O HETATM 2361 O HOH 121 25.304 24.566 -14.580 1.00 41.47 O HETATM 2362 O HOH 122 10.879 18.955 3.364 1.00 41.88 O HETATM 2363 O HOH 123 -4.134 -0.574 -10.202 1.00 41.44 O HETATM 2364 O HOH 124 14.643 13.654 9.692 1.00 43.16 O HETATM 2365 O HOH 125 32.744 0.737 -7.466 1.00 35.47 O HETATM 2366 O HOH 126 20.972 -1.158 -7.081 1.00 27.67 O HETATM 2367 O HOH 127 18.278 -10.948 3.523 1.00 31.45 O HETATM 2368 O HOH 128 26.135 5.879 -13.585 1.00 24.47 O HETATM 2369 O HOH 129 12.442 14.833 9.342 1.00 33.42 O HETATM 2370 O HOH 130 -4.751 -2.672 -8.610 1.00 37.20 O HETATM 2371 O HOH 131 11.275 -15.689 -22.776 1.00 38.91 O HETATM 2372 O HOH 132 17.651 4.798 -27.331 1.00 39.64 O HETATM 2373 O HOH 133 21.671 3.638 -20.461 1.00 34.69 O HETATM 2374 O HOH 134 22.844 -9.589 -20.376 1.00 21.60 O HETATM 2375 O HOH 135 10.243 -17.640 -6.979 1.00 18.45 O HETATM 2376 O HOH 136 21.360 -15.827 -10.881 1.00 36.72 O HETATM 2377 O HOH 137 12.159 -7.049 6.869 1.00 41.42 O HETATM 2378 O HOH 138 10.159 -13.758 -26.147 1.00 33.80 O HETATM 2379 O HOH 139 17.492 -1.932 -19.995 1.00 23.36 O HETATM 2380 O HOH 140 5.177 2.666 -24.895 1.00 38.39 O HETATM 2381 O HOH 141 12.134 -8.016 -2.236 1.00 21.92 O HETATM 2382 O HOH 142 28.635 -4.736 -6.263 1.00 23.89 O HETATM 2383 O HOH 143 4.293 12.969 -9.299 1.00 30.50 O HETATM 2384 O HOH 144 -2.993 -17.247 0.242 1.00 19.93 O HETATM 2385 O HOH 145 4.178 8.918 -7.531 1.00 11.27 O HETATM 2386 O HOH 146 10.225 -18.201 -3.276 1.00 33.75 O HETATM 2387 O HOH 147 10.699 -15.501 -18.778 1.00 26.24 O HETATM 2388 O HOH 148 -0.446 -17.350 5.508 1.00 15.57 O HETATM 2389 O HOH 149 6.447 -10.082 -23.449 1.00 28.27 O HETATM 2390 O HOH 150 9.906 -6.067 -27.207 1.00 22.63 O HETATM 2391 O HOH 151 18.119 -0.534 -8.094 1.00 12.77 O HETATM 2392 O HOH 152 -2.039 -1.337 -12.291 1.00 28.97 O HETATM 2393 O HOH 153 25.022 -4.150 -22.136 1.00 26.12 O HETATM 2394 O HOH 154 14.999 -17.529 -9.853 1.00 34.49 O HETATM 2395 O HOH 155 5.429 1.798 -9.797 1.00 9.62 O HETATM 2396 O HOH 156 4.809 13.705 -5.360 1.00 13.06 O HETATM 2397 O HOH 157 27.604 -0.859 -21.876 1.00 35.67 O HETATM 2398 O HOH 158 16.348 -15.533 -5.465 1.00 17.75 O HETATM 2399 O HOH 159 8.181 5.919 -15.439 1.00 12.81 O HETATM 2400 O HOH 160 3.496 -16.600 -17.613 1.00 32.84 O HETATM 2401 O HOH 161 -2.261 -24.505 -10.191 1.00 23.75 O HETATM 2402 O HOH 162 6.938 9.160 -14.179 1.00 23.02 O HETATM 2403 O HOH 163 21.871 -0.666 -27.899 1.00 39.14 O HETATM 2404 O HOH 164 27.074 -6.234 -19.902 1.00 35.67 O HETATM 2405 O HOH 165 15.465 -11.645 -14.384 1.00 18.29 O HETATM 2406 O HOH 166 1.086 -7.595 -19.345 1.00 31.55 O HETATM 2407 O HOH 167 15.250 -2.880 -4.383 1.00 8.30 O HETATM 2408 O HOH 168 28.069 -0.318 -11.986 1.00 14.50 O HETATM 2409 O HOH 169 28.736 -7.485 -12.409 1.00 39.54 O HETATM 2410 O HOH 170 5.875 -22.153 -3.196 1.00 35.82 O HETATM 2411 O HOH 171 -2.853 -20.933 -7.827 1.00 29.53 O HETATM 2412 O HOH 172 -5.885 -10.641 -0.665 1.00 21.49 O HETATM 2413 O HOH 173 10.677 17.520 -3.517 1.00 22.03 O HETATM 2414 O HOH 174 16.921 -13.282 -17.159 1.00 21.06 O HETATM 2415 O HOH 175 3.902 -20.626 -5.727 1.00 24.16 O HETATM 2416 O HOH 176 23.001 -7.470 -14.895 1.00 18.61 O HETATM 2417 O HOH 177 21.952 -4.970 -23.159 1.00 22.52 O HETATM 2418 O HOH 178 6.194 7.056 -7.360 1.00 9.03 O HETATM 2419 O HOH 179 5.680 5.076 -15.671 1.00 29.93 O HETATM 2420 O HOH 180 -3.070 -17.385 -2.665 1.00 33.35 O HETATM 2421 O HOH 181 10.627 -17.254 -11.146 1.00 24.33 O HETATM 2422 O HOH 182 -2.695 -16.143 6.287 1.00 17.55 O HETATM 2423 O HOH 183 15.797 -18.958 -14.142 1.00 38.08 O HETATM 2424 O HOH 184 -7.714 -9.910 -8.117 1.00 32.93 O HETATM 2425 O HOH 185 9.729 5.234 -22.051 1.00 34.50 O HETATM 2426 O HOH 186 0.248 -3.989 -14.322 1.00 27.99 O HETATM 2427 O HOH 187 1.961 -24.054 -12.067 1.00 38.91 O HETATM 2428 O HOH 188 21.758 -4.622 -7.086 1.00 22.89 O HETATM 2429 O HOH 189 27.928 1.324 -16.917 1.00 46.34 O HETATM 2430 O HOH 190 2.704 3.607 -16.425 1.00 36.72 O HETATM 2431 O HOH 191 5.064 -20.061 1.840 1.00 21.56 O HETATM 2432 O HOH 192 19.138 2.579 -16.269 1.00 18.91 O HETATM 2433 O HOH 193 14.065 -8.967 -0.350 1.00 17.86 O HETATM 2434 O HOH 194 15.302 5.185 -28.276 1.00 30.82 O HETATM 2435 O HOH 195 2.614 -4.115 -22.727 1.00 27.15 O HETATM 2436 O HOH 196 -0.615 -15.042 8.292 1.00 20.83 O HETATM 2437 O HOH 197 29.239 -2.604 -18.359 1.00 38.59 O HETATM 2438 O HOH 198 -6.338 -15.534 -8.675 1.00 34.70 O HETATM 2439 O HOH 199 -0.393 -18.577 -1.159 1.00 28.74 O HETATM 2440 O HOH 200 23.843 -4.730 -14.313 1.00 15.77 O HETATM 2441 O HOH 201 11.949 -15.977 -3.408 1.00 38.63 O HETATM 2442 O HOH 202 26.638 -6.719 -13.826 1.00 30.41 O HETATM 2443 O HOH 203 -5.750 -12.697 7.253 1.00 20.64 O HETATM 2444 O HOH 204 9.914 -19.083 -9.366 1.00 22.58 O HETATM 2445 O HOH 205 -7.031 -16.611 0.021 1.00 26.19 O HETATM 2446 O HOH 206 -6.523 -4.070 2.215 1.00 37.97 O HETATM 2447 O HOH 207 19.520 5.142 -16.238 1.00 40.38 O HETATM 2448 O HOH 208 -1.814 -7.258 -15.107 1.00 34.63 O HETATM 2449 O HOH 209 -9.239 -12.001 -9.006 1.00 35.37 O HETATM 2450 O HOH 210 9.129 7.213 -17.786 1.00 21.03 O HETATM 2451 O HOH 211 18.376 -11.143 -24.103 1.00 35.09 O HETATM 2452 O HOH 212 21.261 3.427 -17.453 1.00 29.24 O HETATM 2453 O HOH 213 21.454 1.940 -22.546 1.00 32.52 O HETATM 2454 O HOH 214 12.764 -18.578 -5.438 1.00 34.58 O HETATM 2455 O HOH 215 8.002 -15.654 -18.266 1.00 37.69 O HETATM 2456 O HOH 216 26.710 -0.966 -26.005 1.00 39.27 O HETATM 2457 O HOH 217 -4.821 -3.887 6.843 1.00 52.34 O HETATM 2458 O HOH 218 -1.829 -10.167 -15.621 1.00 19.56 O HETATM 2459 O HOH 219 1.143 -15.830 -18.219 1.00 42.36 O HETATM 2460 O HOH 220 -6.697 -13.975 2.962 1.00 31.71 O HETATM 2461 O HOH 221 27.419 3.636 -17.679 1.00 44.36 O HETATM 2462 O HOH 222 20.775 -2.791 -27.764 1.00 32.81 O HETATM 2463 O HOH 223 17.730 -16.000 -17.010 1.00 33.84 O HETATM 2464 O HOH 224 4.338 -18.495 4.279 1.00 31.95 O HETATM 2465 O HOH 225 -8.514 -1.139 -3.605 1.00 45.45 O HETATM 2466 O HOH 226 -0.553 -2.741 6.955 1.00 41.14 O HETATM 2467 O HOH 227 18.295 -3.076 -28.664 1.00 34.57 O HETATM 2468 O HOH 228 19.976 6.181 -27.570 1.00 34.78 O HETATM 2469 O HOH 229 -0.305 4.229 -9.676 1.00 23.88 O HETATM 2470 O HOH 230 21.673 -5.424 -26.439 1.00 42.62 O HETATM 2471 O HOH 231 22.279 5.249 -28.747 1.00 49.14 O HETATM 2472 O HOH 232 -8.003 -15.296 -3.219 1.00 52.88 O HETATM 2473 O HOH 233 12.383 23.586 4.668 1.00 45.84 O HETATM 2474 O HOH 234 15.513 -11.004 0.739 1.00 24.86 O HETATM 2475 O HOH 235 -6.133 -10.222 5.948 1.00 36.43 O HETATM 2476 O HOH 236 -8.514 -14.836 1.551 1.00 36.08 O HETATM 2477 O HOH 237 21.996 5.827 -15.743 1.00 32.22 O HETATM 2478 O HOH 238 -0.292 10.865 -7.484 1.00 40.59 O HETATM 2479 O HOH 239 5.644 -24.989 -12.989 1.00 41.11 O HETATM 2480 O HOH 240 10.490 -17.126 -20.856 1.00 37.56 O HETATM 2481 O HOH 241 19.466 -3.686 -6.284 1.00 38.52 O HETATM 2482 O HOH 242 4.220 -23.061 -5.133 1.00 32.13 O HETATM 2483 O HOH 243 3.698 -6.296 -24.320 1.00 26.68 O HETATM 2484 O HOH 244 28.943 -7.306 -5.590 1.00 32.11 O HETATM 2485 O HOH 245 7.980 -22.570 3.481 1.00 41.39 O HETATM 2486 O HOH 246 30.486 -2.449 -5.244 1.00 31.91 O HETATM 2487 O HOH 247 5.596 -18.689 8.373 1.00 35.81 O HETATM 2488 N1 RBF A 248 10.679 -4.951 7.963 1.00 -0.25 N HETATM 2489 C2 RBF A 248 11.445 -4.754 9.074 1.00 0.24 C HETATM 2490 O2 RBF A 248 12.252 -5.661 9.441 1.00 -0.39 O HETATM 2491 N3 RBF A 248 11.364 -3.624 9.813 1.00 -0.19 N HETATM 2492 C4 RBF A 248 10.523 -2.622 9.509 1.00 0.27 C HETATM 2493 O4 RBF A 248 10.464 -1.594 10.233 1.00 -0.37 O HETATM 2494 C4A RBF A 248 9.663 -2.758 8.297 1.00 0.21 C HETATM 2495 N5 RBF A 248 8.798 -1.777 7.940 1.00 -0.24 N HETATM 2496 C5A RBF A 248 8.030 -1.955 6.834 1.00 0.09 C HETATM 2497 C6 RBF A 248 7.167 -0.925 6.497 1.00 -0.04 C HETATM 2498 C7 RBF A 248 6.358 -1.028 5.379 1.00 -0.04 C HETATM 2499 C7M RBF A 248 5.409 0.099 5.033 1.00 -0.04 C HETATM 2500 H3 RBF A 248 5.530 0.916 5.759 1.00 0.04 H HETATM 2501 H4 RBF A 248 4.373 -0.270 5.066 1.00 0.04 H HETATM 2502 H5 RBF A 248 5.634 0.470 4.022 1.00 0.04 H HETATM 2503 C8 RBF A 248 6.413 -2.269 4.565 1.00 -0.04 C HETATM 2504 C8M RBF A 248 5.521 -2.418 3.368 1.00 -0.03 C HETATM 2505 H6 RBF A 248 5.702 -3.395 2.895 1.00 0.04 H HETATM 2506 H7 RBF A 248 5.738 -1.616 2.647 1.00 0.04 H HETATM 2507 H8 RBF A 248 4.469 -2.353 3.684 1.00 0.04 H HETATM 2508 C9 RBF A 248 7.271 -3.306 4.896 1.00 -0.03 C HETATM 2509 C9A RBF A 248 8.105 -3.213 6.012 1.00 0.10 C HETATM 2510 N10 RBF A 248 8.994 -4.262 6.382 1.00 -0.21 N HETATM 2511 C10 RBF A 248 9.781 -4.033 7.533 1.00 0.19 C HETATM 2512 C1' RBF A 248 9.118 -5.558 5.638 1.00 0.09 C HETATM 2513 C2' RBF A 248 9.757 -5.521 4.233 1.00 0.11 C HETATM 2514 O2' RBF A 248 8.767 -5.245 3.245 1.00 -0.39 O HETATM 2515 H13 RBF A 248 9.174 -5.225 2.387 1.00 0.21 H HETATM 2516 C3' RBF A 248 10.368 -6.805 3.680 1.00 0.11 C HETATM 2517 O3' RBF A 248 10.851 -7.638 4.740 1.00 -0.39 O HETATM 2518 H15 RBF A 248 11.515 -7.170 5.232 1.00 0.21 H HETATM 2519 C4' RBF A 248 11.473 -6.472 2.644 1.00 0.11 C HETATM 2520 O4' RBF A 248 11.065 -5.427 1.729 1.00 -0.39 O HETATM 2521 H17 RBF A 248 10.870 -4.637 2.219 1.00 0.21 H HETATM 2522 C5' RBF A 248 11.925 -7.690 1.827 1.00 0.07 C HETATM 2523 O5' RBF A 248 13.154 -8.229 2.335 1.00 -0.39 O HETATM 2524 H20 RBF A 248 13.409 -8.980 1.812 1.00 0.21 H HETATM 2525 H18 RBF A 248 12.072 -7.385 0.780 1.00 0.06 H HETATM 2526 H19 RBF A 248 11.146 -8.465 1.877 1.00 0.06 H HETATM 2527 H16 RBF A 248 12.344 -6.107 3.208 1.00 0.06 H HETATM 2528 H14 RBF A 248 9.575 -7.360 3.156 1.00 0.06 H HETATM 2529 H12 RBF A 248 10.526 -4.734 4.245 1.00 0.06 H HETATM 2530 H10 RBF A 248 8.105 -5.971 5.527 1.00 0.06 H HETATM 2531 H11 RBF A 248 9.725 -6.235 6.257 1.00 0.06 H HETATM 2532 H9 RBF A 248 7.295 -4.199 4.282 1.00 0.05 H HETATM 2533 H2 RBF A 248 7.125 -0.034 7.112 1.00 0.06 H HETATM 2534 H1 RBF A 248 11.953 -3.531 10.616 1.00 0.22 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1121 1122 1128 1129 1130 CONECT 1128 1121 CONECT 1129 1121 CONECT 1130 1121 CONECT 2488 2489 2511 CONECT 2489 2488 2490 2491 CONECT 2490 2489 CONECT 2491 2489 2492 2534 CONECT 2492 2491 2493 2494 CONECT 2493 2492 CONECT 2494 2492 2495 2511 CONECT 2495 2494 2496 CONECT 2496 2495 2497 2509 CONECT 2497 2496 2498 2533 CONECT 2498 2497 2499 2503 CONECT 2499 2498 2500 2501 2502 CONECT 2500 2499 CONECT 2501 2499 CONECT 2502 2499 CONECT 2503 2498 2504 2508 CONECT 2504 2503 2505 2506 2507 CONECT 2505 2504 CONECT 2506 2504 CONECT 2507 2504 CONECT 2508 2503 2509 2532 CONECT 2509 2496 2508 2510 CONECT 2510 2509 2511 2512 CONECT 2511 2488 2494 2510 CONECT 2512 2510 2513 2530 2531 CONECT 2513 2512 2514 2516 2529 CONECT 2514 2513 2515 CONECT 2515 2514 CONECT 2516 2513 2517 2519 2528 CONECT 2517 2516 2518 CONECT 2518 2517 CONECT 2519 2516 2520 2522 2527 CONECT 2520 2519 2521 CONECT 2521 2520 CONECT 2522 2519 2523 2525 2526 CONECT 2523 2522 2524 CONECT 2524 2523 CONECT 2525 2522 CONECT 2526 2522 CONECT 2527 2519 CONECT 2528 2516 CONECT 2529 2513 CONECT 2530 2512 CONECT 2531 2512 CONECT 2532 2508 CONECT 2533 2497 CONECT 2534 2491 MASTER 0 0 0 0 0 0 0 0 2532 2 55 20 END
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Related entries of code: 5umx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5umy
RCSB PDB
PDBbind
140aa, >5UMY_1|Chains... at 100%
6bbx
RCSB PDB
PDBbind
144aa, >6BBX_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1kyv
RCSB PDB
PDBbind
RBF
1l5r
RCSB PDB
PDBbind
RBF
2a58
RCSB PDB
PDBbind
RBF
2ccb
RCSB PDB
PDBbind
RBF
2fl5
RCSB PDB
PDBbind
RBF
2vx9
RCSB PDB
PDBbind
RBF
2vxa
RCSB PDB
PDBbind
RBF
4d1y
RCSB PDB
PDBbind
RBF
4zzd
RCSB PDB
PDBbind
RBF
5umw
RCSB PDB
PDBbind
RBF
Entry Information
PDB ID
5umx
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Glyoxalase/bleomycin resisance protein/dioxygenase
Ligand Name
RBF
EC.Number
E.C.-.-.-.-
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
Kd=1.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Chem Biol Vol. 25: pp. 1075-1085.e4
Ligand Properties
Formula
C
1
7
H
2
0
N
4
O
6
Molecular Weight
376.364
Exact Mass
376.138
No. of atoms
47
No. of bonds
49
Polar Surface Area
161.56
LOGP Value
-1.30 (
Computed with XLOGP3
)
-1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O
InChI String
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A125SA29
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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