Browse entries in the PDBbind-CN Database
HEADER 5FSM_COMPLEX COMPND 5FSM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET N A 91 25 ATOM 1 N ALA A 3 12.817 39.440 1.789 1.00 21.55 N ATOM 2 CA ALA A 3 12.226 38.426 0.911 1.00 21.00 C ATOM 3 C ALA A 3 12.440 37.035 1.504 1.00 23.00 C ATOM 4 O ALA A 3 13.326 36.306 1.059 1.00 22.56 O ATOM 5 CB ALA A 3 12.860 38.497 -0.472 1.00 22.22 C ATOM 6 HN3 ALA A 3 13.837 39.261 1.886 1.00 0.00 H ATOM 7 HN2 ALA A 3 12.365 39.392 2.725 1.00 0.00 H ATOM 8 HN1 ALA A 3 12.667 40.383 1.378 1.00 0.00 H ATOM 9 N SER A 4 11.659 36.678 2.527 1.00 18.86 N ATOM 10 CA SER A 4 11.789 35.349 3.133 1.00 17.45 C ATOM 11 C SER A 4 10.428 34.715 3.362 1.00 19.67 C ATOM 12 O SER A 4 9.433 35.430 3.504 1.00 21.39 O ATOM 13 CB SER A 4 12.625 35.378 4.412 1.00 21.52 C ATOM 14 OG SER A 4 11.990 36.045 5.492 1.00 31.16 O ATOM 15 HG SER A 4 11.138 35.588 5.706 1.00 0.00 H ATOM 16 H SER A 4 10.954 37.347 2.896 1.00 0.00 H ATOM 17 N ARG A 5 10.375 33.385 3.301 1.00 12.63 N ATOM 18 CA ARG A 5 9.151 32.617 3.520 1.00 11.68 C ATOM 19 C ARG A 5 9.378 31.668 4.672 1.00 12.17 C ATOM 20 O ARG A 5 10.416 31.013 4.750 1.00 9.23 O ATOM 21 CB ARG A 5 8.714 31.833 2.267 1.00 14.53 C ATOM 22 CG ARG A 5 7.293 31.281 2.433 1.00 22.44 C ATOM 23 CD ARG A 5 6.571 31.085 1.131 1.00 39.63 C ATOM 24 NE ARG A 5 5.164 30.735 1.330 1.00 45.22 N ATOM 25 CZ ARG A 5 4.329 30.433 0.341 1.00 63.18 C ATOM 26 NH1 ARG A 5 4.761 30.399 -0.915 1.00 52.02 N ATOM 27 NH2 ARG A 5 3.059 30.143 0.601 1.00 45.97 N ATOM 28 HE ARG A 5 4.796 30.722 2.303 1.00 0.00 H ATOM 29 HH12 ARG A 5 4.103 30.162 -1.685 1.00 0.00 H ATOM 30 HH11 ARG A 5 5.757 30.609 -1.128 1.00 0.00 H ATOM 31 HH22 ARG A 5 2.410 29.907 -0.177 1.00 0.00 H ATOM 32 HH21 ARG A 5 2.714 30.152 1.582 1.00 0.00 H ATOM 33 H ARG A 5 11.250 32.866 3.086 1.00 0.00 H ATOM 34 N LEU A 6 8.388 31.580 5.573 1.00 9.11 N ATOM 35 CA LEU A 6 8.489 30.705 6.735 1.00 8.61 C ATOM 36 C LEU A 6 8.310 29.257 6.404 1.00 11.04 C ATOM 37 O LEU A 6 7.357 28.885 5.694 1.00 10.86 O ATOM 38 CB LEU A 6 7.431 31.083 7.786 1.00 9.21 C ATOM 39 CG LEU A 6 7.644 32.409 8.530 1.00 14.81 C ATOM 40 CD1 LEU A 6 6.364 32.813 9.275 1.00 15.57 C ATOM 41 CD2 LEU A 6 8.843 32.297 9.527 1.00 15.29 C ATOM 42 H LEU A 6 7.528 32.149 5.440 1.00 0.00 H ATOM 43 N TYR A 7 9.150 28.419 7.021 1.00 5.87 N ATOM 44 CA TYR A 7 8.996 26.962 6.944 1.00 5.60 C ATOM 45 C TYR A 7 9.300 26.377 8.327 1.00 9.05 C ATOM 46 O TYR A 7 9.963 27.016 9.157 1.00 8.23 O ATOM 47 CB TYR A 7 9.998 26.347 5.962 1.00 6.24 C ATOM 48 CG TYR A 7 9.736 26.698 4.519 1.00 7.33 C ATOM 49 CD1 TYR A 7 10.219 27.885 3.970 1.00 7.46 C ATOM 50 CD2 TYR A 7 9.078 25.809 3.675 1.00 9.59 C ATOM 51 CE1 TYR A 7 9.982 28.212 2.634 1.00 8.29 C ATOM 52 CE2 TYR A 7 8.803 26.141 2.350 1.00 10.60 C ATOM 53 CZ TYR A 7 9.284 27.327 1.825 1.00 13.89 C ATOM 54 OH TYR A 7 9.028 27.647 0.513 1.00 15.27 O ATOM 55 HH TYR A 7 9.441 28.522 0.301 1.00 0.00 H ATOM 56 H TYR A 7 9.938 28.813 7.573 1.00 0.00 H ATOM 57 N THR A 8 8.821 25.169 8.559 1.00 7.35 N ATOM 58 CA THR A 8 9.100 24.446 9.797 1.00 6.58 C ATOM 59 C THR A 8 9.856 23.185 9.448 1.00 8.08 C ATOM 60 O THR A 8 9.777 22.728 8.318 1.00 7.18 O ATOM 61 CB THR A 8 7.790 24.056 10.508 1.00 12.45 C ATOM 62 OG1 THR A 8 7.012 23.231 9.635 1.00 9.98 O ATOM 63 CG2 THR A 8 7.012 25.284 11.004 1.00 12.30 C ATOM 64 HG1 THR A 8 6.806 23.732 8.806 1.00 0.00 H ATOM 65 H THR A 8 8.225 24.717 7.836 1.00 0.00 H ATOM 66 N LEU A 9 10.570 22.610 10.435 1.00 5.52 N ATOM 67 CA LEU A 9 11.270 21.332 10.278 1.00 6.06 C ATOM 68 C LEU A 9 11.313 20.707 11.645 1.00 8.49 C ATOM 69 O LEU A 9 11.789 21.319 12.598 1.00 7.49 O ATOM 70 CB LEU A 9 12.689 21.547 9.676 1.00 5.97 C ATOM 71 CG LEU A 9 13.496 20.279 9.350 1.00 10.30 C ATOM 72 CD1 LEU A 9 12.854 19.524 8.224 1.00 10.61 C ATOM 73 CD2 LEU A 9 14.939 20.648 8.996 1.00 14.05 C ATOM 74 H LEU A 9 10.627 23.096 11.353 1.00 0.00 H ATOM 75 N VAL A 10 10.774 19.509 11.757 1.00 5.47 N ATOM 76 CA VAL A 10 10.644 18.802 13.036 1.00 5.05 C ATOM 77 C VAL A 10 11.463 17.532 13.004 1.00 10.45 C ATOM 78 O VAL A 10 11.287 16.701 12.109 1.00 9.48 O ATOM 79 CB VAL A 10 9.160 18.484 13.379 1.00 8.94 C ATOM 80 CG1 VAL A 10 9.037 17.744 14.715 1.00 8.83 C ATOM 81 CG2 VAL A 10 8.296 19.752 13.387 1.00 9.39 C ATOM 82 H VAL A 10 10.424 19.042 10.896 1.00 0.00 H ATOM 83 N LEU A 11 12.323 17.367 14.010 1.00 7.05 N ATOM 84 CA LEU A 11 13.123 16.157 14.170 1.00 7.36 C ATOM 85 C LEU A 11 12.586 15.396 15.391 1.00 10.12 C ATOM 86 O LEU A 11 12.597 15.916 16.505 1.00 9.05 O ATOM 87 CB LEU A 11 14.614 16.495 14.366 1.00 8.57 C ATOM 88 CG LEU A 11 15.437 16.925 13.124 1.00 14.58 C ATOM 89 CD1 LEU A 11 15.465 15.824 12.044 1.00 16.22 C ATOM 90 CD2 LEU A 11 14.961 18.262 12.559 1.00 18.46 C ATOM 91 H LEU A 11 12.428 18.131 14.708 1.00 0.00 H ATOM 92 N VAL A 12 12.123 14.169 15.192 1.00 7.48 N ATOM 93 CA VAL A 12 11.645 13.327 16.290 1.00 8.14 C ATOM 94 C VAL A 12 12.919 12.585 16.721 1.00 10.65 C ATOM 95 O VAL A 12 13.404 11.683 16.009 1.00 9.80 O ATOM 96 CB VAL A 12 10.538 12.363 15.787 1.00 13.49 C ATOM 97 CG1 VAL A 12 10.112 11.411 16.898 1.00 14.65 C ATOM 98 CG2 VAL A 12 9.343 13.147 15.204 1.00 13.33 C ATOM 99 H VAL A 12 12.099 13.792 14.223 1.00 0.00 H ATOM 100 N LEU A 13 13.525 13.085 17.789 1.00 9.21 N ATOM 101 CA LEU A 13 14.819 12.632 18.268 1.00 10.19 C ATOM 102 C LEU A 13 14.674 12.044 19.646 1.00 15.60 C ATOM 103 O LEU A 13 14.332 12.748 20.600 1.00 15.93 O ATOM 104 CB LEU A 13 15.816 13.824 18.262 1.00 9.87 C ATOM 105 CG LEU A 13 17.194 13.605 18.854 1.00 13.06 C ATOM 106 CD1 LEU A 13 17.942 12.550 18.087 1.00 11.77 C ATOM 107 CD2 LEU A 13 17.985 14.907 18.799 1.00 12.92 C ATOM 108 H LEU A 13 13.046 13.845 18.314 1.00 0.00 H ATOM 109 N GLN A 14 14.904 10.732 19.729 1.00 11.43 N ATOM 110 CA GLN A 14 14.773 9.935 20.942 1.00 11.77 C ATOM 111 C GLN A 14 16.193 9.588 21.391 1.00 15.65 C ATOM 112 O GLN A 14 17.127 9.875 20.636 1.00 14.90 O ATOM 113 CB GLN A 14 13.880 8.698 20.691 1.00 13.81 C ATOM 114 CG GLN A 14 12.463 9.123 20.292 1.00 16.59 C ATOM 115 CD GLN A 14 11.514 7.962 20.080 1.00 21.00 C ATOM 116 OE1 GLN A 14 11.909 6.853 19.774 1.00 18.64 O ATOM 117 NE2 GLN A 14 10.229 8.211 20.196 1.00 22.38 N ATOM 118 HE22 GLN A 14 9.906 9.164 20.458 1.00 0.00 H ATOM 119 HE21 GLN A 14 9.535 7.455 20.025 1.00 0.00 H ATOM 120 H GLN A 14 15.199 10.241 18.861 1.00 0.00 H ATOM 121 N PRO A 15 16.431 9.053 22.599 1.00 15.98 N ATOM 122 CA PRO A 15 17.819 8.899 23.049 1.00 16.79 C ATOM 123 C PRO A 15 18.746 8.116 22.126 1.00 20.50 C ATOM 124 O PRO A 15 19.906 8.517 22.010 1.00 20.78 O ATOM 125 CB PRO A 15 17.665 8.228 24.411 1.00 19.20 C ATOM 126 CG PRO A 15 16.388 8.794 24.923 1.00 23.11 C ATOM 127 CD PRO A 15 15.494 8.736 23.702 1.00 18.11 C ATOM 128 N GLN A 16 18.251 7.051 21.442 1.00 15.48 N ATOM 129 CA GLN A 16 19.162 6.267 20.589 1.00 16.15 C ATOM 130 C GLN A 16 18.841 6.344 19.101 1.00 18.06 C ATOM 131 O GLN A 16 19.531 5.711 18.300 1.00 16.44 O ATOM 132 CB GLN A 16 19.149 4.789 21.016 1.00 18.74 C ATOM 133 H GLN A 16 17.246 6.794 21.519 1.00 0.00 H ATOM 134 N ARG A 17 17.777 7.067 18.725 1.00 11.79 N ATOM 135 CA ARG A 17 17.373 7.070 17.319 1.00 8.60 C ATOM 136 C ARG A 17 16.639 8.354 16.930 1.00 12.02 C ATOM 137 O ARG A 17 16.077 9.067 17.784 1.00 11.50 O ATOM 138 CB ARG A 17 16.464 5.863 17.036 1.00 9.67 C ATOM 139 CG ARG A 17 15.127 5.891 17.800 1.00 10.97 C ATOM 140 CD ARG A 17 14.390 4.580 17.688 1.00 15.39 C ATOM 141 NE ARG A 17 13.026 4.712 18.198 1.00 16.47 N ATOM 142 CZ ARG A 17 12.047 3.855 17.928 1.00 24.91 C ATOM 143 NH1 ARG A 17 12.278 2.789 17.174 1.00 17.88 N ATOM 144 NH2 ARG A 17 10.830 4.065 18.396 1.00 17.51 N ATOM 145 HE ARG A 17 12.809 5.525 18.809 1.00 0.00 H ATOM 146 HH12 ARG A 17 11.507 2.122 16.966 1.00 0.00 H ATOM 147 HH11 ARG A 17 13.230 2.620 16.790 1.00 0.00 H ATOM 148 HH22 ARG A 17 10.067 3.391 18.182 1.00 0.00 H ATOM 149 HH21 ARG A 17 10.635 4.904 18.979 1.00 0.00 H ATOM 150 H ARG A 17 17.244 7.620 19.426 1.00 0.00 H ATOM 151 N VAL A 18 16.606 8.593 15.622 1.00 7.95 N ATOM 152 CA VAL A 18 15.916 9.742 15.043 1.00 7.03 C ATOM 153 C VAL A 18 15.032 9.252 13.896 1.00 9.42 C ATOM 154 O VAL A 18 15.422 8.319 13.176 1.00 9.32 O ATOM 155 CB VAL A 18 16.935 10.829 14.594 1.00 9.47 C ATOM 156 CG1 VAL A 18 17.884 10.297 13.510 1.00 8.37 C ATOM 157 CG2 VAL A 18 16.222 12.097 14.100 1.00 9.74 C ATOM 158 H VAL A 18 17.093 7.932 14.984 1.00 0.00 H ATOM 159 N LEU A 19 13.851 9.850 13.749 1.00 7.89 N ATOM 160 CA LEU A 19 12.917 9.524 12.655 1.00 7.07 C ATOM 161 C LEU A 19 13.152 10.460 11.480 1.00 9.85 C ATOM 162 O LEU A 19 13.194 11.672 11.647 1.00 8.68 O ATOM 163 CB LEU A 19 11.450 9.645 13.099 1.00 7.46 C ATOM 164 CG LEU A 19 10.387 9.176 12.065 1.00 11.17 C ATOM 165 CD1 LEU A 19 10.439 7.667 11.848 1.00 10.46 C ATOM 166 CD2 LEU A 19 9.002 9.563 12.527 1.00 11.72 C ATOM 167 H LEU A 19 13.575 10.580 14.437 1.00 0.00 H ATOM 168 N LEU A 20 13.315 9.902 10.293 1.00 7.97 N ATOM 169 CA LEU A 20 13.477 10.677 9.081 1.00 7.15 C ATOM 170 C LEU A 20 12.524 10.100 8.060 1.00 10.54 C ATOM 171 O LEU A 20 12.128 8.936 8.171 1.00 11.23 O ATOM 172 CB LEU A 20 14.922 10.626 8.533 1.00 7.51 C ATOM 173 CG LEU A 20 15.984 11.204 9.457 1.00 9.18 C ATOM 174 CD1 LEU A 20 17.380 10.856 8.938 1.00 9.28 C ATOM 175 CD2 LEU A 20 15.793 12.722 9.610 1.00 7.43 C ATOM 176 H LEU A 20 13.327 8.864 10.227 1.00 0.00 H ATOM 177 N GLY A 21 12.166 10.916 7.081 1.00 7.83 N ATOM 178 CA GLY A 21 11.247 10.486 6.042 1.00 8.59 C ATOM 179 C GLY A 21 11.835 10.699 4.668 1.00 10.67 C ATOM 180 O GLY A 21 12.353 11.787 4.358 1.00 10.40 O ATOM 181 H GLY A 21 12.550 11.882 7.055 1.00 0.00 H ATOM 182 N MET A 22 11.785 9.642 3.848 1.00 8.05 N ATOM 183 CA MET A 22 12.262 9.699 2.456 1.00 7.87 C ATOM 184 C MET A 22 11.132 10.381 1.664 1.00 12.23 C ATOM 185 O MET A 22 10.020 9.837 1.560 1.00 10.02 O ATOM 186 CB MET A 22 12.543 8.256 1.948 1.00 9.26 C ATOM 187 CG MET A 22 12.840 8.164 0.445 1.00 12.25 C ATOM 188 SD MET A 22 14.130 9.292 -0.169 1.00 13.43 S ATOM 189 CE MET A 22 15.577 8.734 0.733 1.00 11.67 C ATOM 190 H MET A 22 11.395 8.747 4.207 1.00 0.00 H ATOM 191 N LYS A 23 11.418 11.583 1.134 1.00 11.36 N ATOM 192 CA LYS A 23 10.461 12.373 0.369 1.00 12.13 C ATOM 193 C LYS A 23 10.307 11.808 -1.032 1.00 15.74 C ATOM 194 O LYS A 23 11.293 11.621 -1.736 1.00 14.50 O ATOM 195 CB LYS A 23 10.913 13.842 0.338 1.00 14.77 C ATOM 196 CG LYS A 23 9.828 14.758 -0.214 1.00 19.98 C ATOM 197 CD LYS A 23 10.051 16.200 0.236 1.00 23.88 C ATOM 198 CE LYS A 23 9.087 17.184 -0.395 1.00 33.32 C ATOM 199 NZ LYS A 23 7.670 16.774 -0.231 1.00 46.77 N ATOM 200 HZ1 LYS A 23 7.524 15.848 -0.681 1.00 0.00 H ATOM 201 HZ2 LYS A 23 7.445 16.708 0.782 1.00 0.00 H ATOM 202 HZ3 LYS A 23 7.052 17.480 -0.680 1.00 0.00 H ATOM 203 H LYS A 23 12.373 11.970 1.277 1.00 0.00 H ATOM 204 N LYS A 24 9.068 11.526 -1.439 1.00 14.17 N ATOM 205 CA LYS A 24 8.837 10.866 -2.714 1.00 15.78 C ATOM 206 C LYS A 24 8.826 11.827 -3.939 1.00 20.22 C ATOM 207 O LYS A 24 9.346 11.458 -4.998 1.00 21.53 O ATOM 208 CB LYS A 24 7.573 10.004 -2.606 1.00 18.57 C ATOM 209 CG LYS A 24 7.805 8.882 -1.555 1.00 27.45 C ATOM 210 CD LYS A 24 6.726 7.815 -1.549 1.00 29.19 C ATOM 211 CE LYS A 24 6.716 6.931 -0.314 1.00 14.69 C ATOM 212 NZ LYS A 24 5.841 5.749 -0.576 1.00 26.46 N ATOM 213 HZ1 LYS A 24 4.876 6.074 -0.786 1.00 0.00 H ATOM 214 HZ2 LYS A 24 6.213 5.217 -1.388 1.00 0.00 H ATOM 215 HZ3 LYS A 24 5.827 5.136 0.264 1.00 0.00 H ATOM 216 H LYS A 24 8.259 11.781 -0.838 1.00 0.00 H ATOM 217 N ARG A 25 8.318 13.049 -3.790 1.00 17.86 N ATOM 218 CA ARG A 25 8.295 14.022 -4.903 1.00 19.09 C ATOM 219 C ARG A 25 8.468 15.453 -4.397 1.00 23.04 C ATOM 220 O ARG A 25 8.506 15.677 -3.190 1.00 20.36 O ATOM 221 CB ARG A 25 6.997 13.871 -5.746 1.00 21.34 C ATOM 222 H ARG A 25 7.927 13.326 -2.867 1.00 0.00 H ATOM 223 N GLY A 26 8.564 16.412 -5.316 1.00 22.02 N ATOM 224 CA GLY A 26 8.701 17.819 -4.955 1.00 21.86 C ATOM 225 C GLY A 26 10.103 18.191 -4.517 1.00 26.46 C ATOM 226 O GLY A 26 11.071 17.500 -4.846 1.00 25.03 O ATOM 227 H GLY A 26 8.541 16.150 -6.322 1.00 0.00 H ATOM 228 N PHE A 27 10.217 19.289 -3.761 1.00 25.59 N ATOM 229 CA PHE A 27 11.504 19.818 -3.312 1.00 24.86 C ATOM 230 C PHE A 27 12.174 18.948 -2.276 1.00 25.61 C ATOM 231 O PHE A 27 11.654 18.801 -1.185 1.00 24.94 O ATOM 232 CB PHE A 27 11.384 21.267 -2.828 1.00 26.94 C ATOM 233 CG PHE A 27 12.675 22.052 -2.939 1.00 28.65 C ATOM 234 CD1 PHE A 27 13.307 22.218 -4.169 1.00 32.70 C ATOM 235 CD2 PHE A 27 13.232 22.663 -1.824 1.00 28.88 C ATOM 236 CE1 PHE A 27 14.492 22.955 -4.271 1.00 33.82 C ATOM 237 CE2 PHE A 27 14.406 23.405 -1.928 1.00 31.66 C ATOM 238 CZ PHE A 27 15.024 23.556 -3.151 1.00 31.66 C ATOM 239 H PHE A 27 9.350 19.789 -3.480 1.00 0.00 H ATOM 240 N GLY A 28 13.328 18.392 -2.628 1.00 21.31 N ATOM 241 CA GLY A 28 14.055 17.517 -1.723 1.00 20.19 C ATOM 242 C GLY A 28 13.724 16.049 -1.923 1.00 19.82 C ATOM 243 O GLY A 28 14.167 15.217 -1.131 1.00 16.21 O ATOM 244 H GLY A 28 13.720 18.587 -3.571 1.00 0.00 H ATOM 245 N ALA A 29 12.932 15.706 -2.967 1.00 16.59 N ATOM 246 CA ALA A 29 12.605 14.292 -3.258 1.00 16.79 C ATOM 247 C ALA A 29 13.876 13.465 -3.376 1.00 18.23 C ATOM 248 O ALA A 29 14.900 13.970 -3.858 1.00 16.79 O ATOM 249 CB ALA A 29 11.817 14.179 -4.565 1.00 17.74 C ATOM 250 H ALA A 29 12.545 16.453 -3.578 1.00 0.00 H ATOM 251 N GLY A 30 13.821 12.230 -2.887 1.00 13.12 N ATOM 252 CA GLY A 30 14.965 11.322 -2.934 1.00 12.48 C ATOM 253 C GLY A 30 15.937 11.494 -1.782 1.00 14.79 C ATOM 254 O GLY A 30 16.928 10.769 -1.701 1.00 15.09 O ATOM 255 H GLY A 30 12.934 11.899 -2.457 1.00 0.00 H ATOM 256 N ARG A 31 15.637 12.406 -0.833 1.00 11.16 N ATOM 257 CA ARG A 31 16.483 12.590 0.340 1.00 9.63 C ATOM 258 C ARG A 31 15.699 12.311 1.624 1.00 12.55 C ATOM 259 O ARG A 31 14.500 12.563 1.658 1.00 10.90 O ATOM 260 CB ARG A 31 16.993 14.041 0.399 1.00 11.79 C ATOM 261 CG ARG A 31 18.202 14.207 -0.474 1.00 16.31 C ATOM 262 CD ARG A 31 18.501 15.647 -0.785 1.00 16.19 C ATOM 263 NE ARG A 31 19.825 15.730 -1.407 1.00 18.20 N ATOM 264 CZ ARG A 31 20.384 16.838 -1.876 1.00 20.59 C ATOM 265 NH1 ARG A 31 19.746 17.993 -1.802 1.00 16.85 N ATOM 266 NH2 ARG A 31 21.603 16.802 -2.397 1.00 22.75 N ATOM 267 HE ARG A 31 20.371 14.849 -1.487 1.00 0.00 H ATOM 268 HH12 ARG A 31 20.191 18.857 -2.172 1.00 0.00 H ATOM 269 HH11 ARG A 31 18.799 18.038 -1.374 1.00 0.00 H ATOM 270 HH22 ARG A 31 22.038 17.673 -2.764 1.00 0.00 H ATOM 271 HH21 ARG A 31 22.124 15.903 -2.439 1.00 0.00 H ATOM 272 H ARG A 31 14.783 12.990 -0.941 1.00 0.00 H ATOM 273 N TRP A 32 16.390 11.852 2.686 1.00 9.11 N ATOM 274 CA TRP A 32 15.788 11.684 4.009 1.00 7.72 C ATOM 275 C TRP A 32 15.761 13.076 4.632 1.00 13.20 C ATOM 276 O TRP A 32 16.791 13.754 4.662 1.00 13.18 O ATOM 277 CB TRP A 32 16.653 10.788 4.900 1.00 6.12 C ATOM 278 CG TRP A 32 16.759 9.374 4.394 1.00 8.07 C ATOM 279 CD1 TRP A 32 17.773 8.848 3.650 1.00 11.29 C ATOM 280 CD2 TRP A 32 15.773 8.334 4.524 1.00 7.83 C ATOM 281 NE1 TRP A 32 17.514 7.525 3.354 1.00 10.54 N ATOM 282 CE2 TRP A 32 16.288 7.185 3.871 1.00 11.77 C ATOM 283 CE3 TRP A 32 14.546 8.238 5.193 1.00 8.53 C ATOM 284 CZ2 TRP A 32 15.592 5.965 3.835 1.00 11.98 C ATOM 285 CZ3 TRP A 32 13.849 7.029 5.144 1.00 10.22 C ATOM 286 CH2 TRP A 32 14.375 5.914 4.482 1.00 11.26 C ATOM 287 HE1 TRP A 32 18.145 6.889 2.825 1.00 0.00 H ATOM 288 H TRP A 32 17.393 11.607 2.560 1.00 0.00 H ATOM 289 N ASN A 33 14.599 13.485 5.109 1.00 11.28 N ATOM 290 CA ASN A 33 14.414 14.795 5.727 1.00 11.66 C ATOM 291 C ASN A 33 13.622 14.647 7.040 1.00 12.87 C ATOM 292 O ASN A 33 12.965 13.630 7.291 1.00 11.74 O ATOM 293 CB ASN A 33 13.530 15.670 4.789 1.00 17.16 C ATOM 294 CG ASN A 33 14.022 15.972 3.389 1.00 43.82 C ATOM 295 OD1 ASN A 33 14.736 16.949 3.173 1.00 56.12 O ATOM 296 ND2 ASN A 33 13.510 15.267 2.375 1.00 22.04 N ATOM 297 HD22 ASN A 33 12.907 14.442 2.568 1.00 0.00 H ATOM 298 HD21 ASN A 33 13.715 15.544 1.394 1.00 0.00 H ATOM 299 H ASN A 33 13.781 12.847 5.041 1.00 0.00 H ATOM 300 N GLY A 34 13.652 15.705 7.850 1.00 8.71 N ATOM 301 CA GLY A 34 12.736 15.837 8.970 1.00 8.09 C ATOM 302 C GLY A 34 11.386 16.212 8.362 1.00 10.38 C ATOM 303 O GLY A 34 11.244 16.241 7.138 1.00 10.21 O ATOM 304 H GLY A 34 14.350 16.456 7.676 1.00 0.00 H ATOM 305 N PHE A 35 10.391 16.527 9.177 1.00 6.92 N ATOM 306 CA PHE A 35 9.032 16.802 8.692 1.00 6.86 C ATOM 307 C PHE A 35 8.660 18.255 8.818 1.00 10.24 C ATOM 308 O PHE A 35 8.924 18.857 9.840 1.00 9.70 O ATOM 309 CB PHE A 35 8.012 15.921 9.441 1.00 7.99 C ATOM 310 CG PHE A 35 8.362 14.445 9.332 1.00 9.91 C ATOM 311 CD1 PHE A 35 8.083 13.730 8.169 1.00 11.35 C ATOM 312 CD2 PHE A 35 9.078 13.807 10.346 1.00 11.14 C ATOM 313 CE1 PHE A 35 8.459 12.382 8.051 1.00 11.06 C ATOM 314 CE2 PHE A 35 9.437 12.451 10.235 1.00 11.64 C ATOM 315 CZ PHE A 35 9.117 11.751 9.085 1.00 8.86 C ATOM 316 H PHE A 35 10.579 16.582 10.198 1.00 0.00 H ATOM 317 N GLY A 36 8.105 18.827 7.757 1.00 8.86 N ATOM 318 CA GLY A 36 7.807 20.249 7.821 1.00 9.48 C ATOM 319 C GLY A 36 7.193 20.774 6.549 1.00 12.91 C ATOM 320 O GLY A 36 6.930 20.017 5.598 1.00 13.28 O ATOM 321 H GLY A 36 7.889 18.274 6.903 1.00 0.00 H ATOM 322 N GLY A 37 7.001 22.079 6.529 1.00 7.01 N ATOM 323 CA GLY A 37 6.435 22.758 5.369 1.00 6.96 C ATOM 324 C GLY A 37 6.136 24.211 5.666 1.00 9.90 C ATOM 325 O GLY A 37 6.610 24.788 6.652 1.00 8.01 O ATOM 326 H GLY A 37 7.261 22.640 7.365 1.00 0.00 H ATOM 327 N LYS A 38 5.362 24.813 4.792 1.00 8.56 N ATOM 328 CA LYS A 38 4.999 26.207 4.913 1.00 8.61 C ATOM 329 C LYS A 38 4.051 26.451 6.090 1.00 11.98 C ATOM 330 O LYS A 38 3.352 25.541 6.537 1.00 12.26 O ATOM 331 CB LYS A 38 4.322 26.674 3.618 1.00 10.62 C ATOM 332 CG LYS A 38 5.288 26.779 2.454 1.00 15.20 C ATOM 333 CD LYS A 38 4.524 26.926 1.149 1.00 22.56 C ATOM 334 CE LYS A 38 5.447 26.673 -0.031 1.00 40.18 C ATOM 335 NZ LYS A 38 4.695 26.284 -1.255 1.00 40.98 N ATOM 336 HZ1 LYS A 38 4.159 25.412 -1.069 1.00 0.00 H ATOM 337 HZ2 LYS A 38 4.038 27.048 -1.514 1.00 0.00 H ATOM 338 HZ3 LYS A 38 5.364 26.121 -2.034 1.00 0.00 H ATOM 339 H LYS A 38 4.998 24.268 3.985 1.00 0.00 H ATOM 340 N VAL A 39 4.111 27.670 6.630 1.00 11.04 N ATOM 341 CA VAL A 39 3.266 28.080 7.752 1.00 9.30 C ATOM 342 C VAL A 39 2.056 28.843 7.162 1.00 12.93 C ATOM 343 O VAL A 39 2.213 29.639 6.234 1.00 14.11 O ATOM 344 CB VAL A 39 4.022 28.906 8.830 1.00 11.33 C ATOM 345 CG1 VAL A 39 3.058 29.328 9.962 1.00 10.94 C ATOM 346 CG2 VAL A 39 5.235 28.141 9.400 1.00 9.57 C ATOM 347 H VAL A 39 4.786 28.357 6.237 1.00 0.00 H ATOM 348 N GLN A 40 0.862 28.567 7.670 1.00 10.07 N ATOM 349 CA GLN A 40 -0.339 29.177 7.105 1.00 12.25 C ATOM 350 C GLN A 40 -0.600 30.556 7.641 1.00 11.73 C ATOM 351 O GLN A 40 -0.048 30.953 8.666 1.00 9.87 O ATOM 352 CB GLN A 40 -1.571 28.266 7.260 1.00 15.36 C ATOM 353 CG GLN A 40 -1.406 26.960 6.472 1.00 30.95 C ATOM 354 CD GLN A 40 -2.495 25.950 6.706 1.00 35.60 C ATOM 355 OE1 GLN A 40 -3.468 26.172 7.440 1.00 28.46 O ATOM 356 NE2 GLN A 40 -2.323 24.792 6.102 1.00 33.04 N ATOM 357 HE22 GLN A 40 -1.494 24.641 5.493 1.00 0.00 H ATOM 358 HE21 GLN A 40 -3.017 24.028 6.234 1.00 0.00 H ATOM 359 H GLN A 40 0.781 27.913 8.475 1.00 0.00 H ATOM 360 N GLU A 41 -1.377 31.319 6.902 1.00 10.38 N ATOM 361 CA GLU A 41 -1.816 32.650 7.345 1.00 10.40 C ATOM 362 C GLU A 41 -2.622 32.466 8.659 1.00 14.95 C ATOM 363 O GLU A 41 -3.482 31.580 8.727 1.00 16.06 O ATOM 364 CB GLU A 41 -2.714 33.239 6.241 1.00 12.19 C ATOM 365 CG GLU A 41 -1.932 33.643 4.994 1.00 17.12 C ATOM 366 CD GLU A 41 -2.778 34.150 3.838 1.00 33.55 C ATOM 367 OE1 GLU A 41 -4.026 34.098 3.932 1.00 33.32 O ATOM 368 OE2 GLU A 41 -2.188 34.603 2.832 1.00 22.96 O ATOM 369 H GLU A 41 -1.691 30.969 5.974 1.00 0.00 H ATOM 370 N GLY A 42 -2.332 33.267 9.695 1.00 12.01 N ATOM 371 CA GLY A 42 -3.064 33.178 10.954 1.00 11.73 C ATOM 372 C GLY A 42 -2.645 31.999 11.834 1.00 13.48 C ATOM 373 O GLY A 42 -3.259 31.766 12.868 1.00 15.88 O ATOM 374 H GLY A 42 -1.569 33.967 9.599 1.00 0.00 H ATOM 375 N GLU A 43 -1.619 31.253 11.448 1.00 10.81 N ATOM 376 CA GLU A 43 -1.133 30.096 12.186 1.00 11.38 C ATOM 377 C GLU A 43 0.226 30.422 12.805 1.00 12.56 C ATOM 378 O GLU A 43 1.066 31.017 12.128 1.00 12.70 O ATOM 379 CB GLU A 43 -0.983 28.927 11.183 1.00 13.17 C ATOM 380 CG GLU A 43 -0.533 27.625 11.803 1.00 15.31 C ATOM 381 CD GLU A 43 -0.322 26.535 10.778 1.00 10.96 C ATOM 382 OE1 GLU A 43 0.471 26.740 9.830 1.00 9.51 O ATOM 383 OE2 GLU A 43 -0.821 25.418 11.026 1.00 13.29 O ATOM 384 H GLU A 43 -1.132 31.510 10.565 1.00 0.00 H ATOM 385 N THR A 44 0.460 30.020 14.066 1.00 10.12 N ATOM 386 CA THR A 44 1.778 30.260 14.673 1.00 9.77 C ATOM 387 C THR A 44 2.763 29.254 14.078 1.00 11.23 C ATOM 388 O THR A 44 2.358 28.190 13.597 1.00 11.52 O ATOM 389 CB THR A 44 1.741 30.067 16.212 1.00 13.73 C ATOM 390 OG1 THR A 44 1.534 28.684 16.526 1.00 14.70 O ATOM 391 CG2 THR A 44 0.685 30.911 16.878 1.00 19.39 C ATOM 392 HG1 THR A 44 1.512 28.570 17.509 1.00 0.00 H ATOM 393 H THR A 44 -0.287 29.542 14.609 1.00 0.00 H ATOM 394 N ILE A 45 4.058 29.569 14.145 1.00 7.93 N ATOM 395 CA ILE A 45 5.085 28.683 13.625 1.00 7.73 C ATOM 396 C ILE A 45 5.002 27.312 14.305 1.00 12.08 C ATOM 397 O ILE A 45 5.031 26.280 13.611 1.00 10.39 O ATOM 398 CB ILE A 45 6.483 29.340 13.734 1.00 10.91 C ATOM 399 CG1 ILE A 45 6.557 30.620 12.853 1.00 11.75 C ATOM 400 CG2 ILE A 45 7.569 28.347 13.312 1.00 11.55 C ATOM 401 CD1 ILE A 45 7.790 31.529 13.129 1.00 17.96 C ATOM 402 H ILE A 45 4.339 30.471 14.580 1.00 0.00 H ATOM 403 N GLU A 46 4.875 27.303 15.659 1.00 11.56 N ATOM 404 CA GLU A 46 4.769 26.056 16.423 1.00 11.71 C ATOM 405 C GLU A 46 3.542 25.218 15.994 1.00 12.12 C ATOM 406 O GLU A 46 3.680 24.008 15.801 1.00 10.14 O ATOM 407 CB GLU A 46 4.744 26.342 17.940 1.00 13.15 C ATOM 408 CG GLU A 46 4.954 25.067 18.749 1.00 22.12 C ATOM 409 CD GLU A 46 4.827 25.206 20.252 1.00 35.39 C ATOM 410 OE1 GLU A 46 5.354 26.194 20.811 1.00 35.75 O ATOM 411 OE2 GLU A 46 4.218 24.308 20.872 1.00 33.25 O ATOM 412 H GLU A 46 4.852 28.209 16.169 1.00 0.00 H ATOM 413 N ASP A 47 2.383 25.860 15.762 1.00 10.68 N ATOM 414 CA ASP A 47 1.210 25.110 15.307 1.00 10.43 C ATOM 415 C ASP A 47 1.423 24.544 13.926 1.00 11.96 C ATOM 416 O ASP A 47 1.015 23.408 13.677 1.00 11.94 O ATOM 417 CB ASP A 47 -0.072 25.944 15.392 1.00 11.80 C ATOM 418 CG ASP A 47 -0.523 26.143 16.831 1.00 21.14 C ATOM 419 OD1 ASP A 47 -0.012 25.432 17.721 1.00 21.03 O ATOM 420 OD2 ASP A 47 -1.385 26.996 17.061 1.00 16.95 O ATOM 421 H ASP A 47 2.320 26.888 15.906 1.00 0.00 H ATOM 422 N GLY A 48 2.078 25.318 13.056 1.00 9.92 N ATOM 423 CA GLY A 48 2.442 24.878 11.706 1.00 8.49 C ATOM 424 C GLY A 48 3.348 23.660 11.779 1.00 11.29 C ATOM 425 O GLY A 48 3.198 22.707 10.998 1.00 10.29 O ATOM 426 H GLY A 48 2.343 26.280 13.351 1.00 0.00 H ATOM 427 N ALA A 49 4.301 23.674 12.731 1.00 8.88 N ATOM 428 CA ALA A 49 5.243 22.556 12.903 1.00 7.91 C ATOM 429 C ALA A 49 4.472 21.276 13.331 1.00 10.90 C ATOM 430 O ALA A 49 4.706 20.202 12.776 1.00 10.51 O ATOM 431 CB ALA A 49 6.290 22.909 13.956 1.00 8.92 C ATOM 432 H ALA A 49 4.373 24.498 13.362 1.00 0.00 H ATOM 433 N ARG A 50 3.553 21.406 14.323 1.00 7.55 N ATOM 434 CA ARG A 50 2.749 20.258 14.810 1.00 6.92 C ATOM 435 C ARG A 50 1.884 19.700 13.680 1.00 10.35 C ATOM 436 O ARG A 50 1.808 18.484 13.497 1.00 8.99 O ATOM 437 CB ARG A 50 1.817 20.693 15.947 1.00 12.63 C ATOM 438 CG ARG A 50 2.508 21.268 17.126 1.00 21.29 C ATOM 439 CD ARG A 50 1.494 21.620 18.210 1.00 30.84 C ATOM 440 NE ARG A 50 2.183 21.995 19.434 1.00 28.99 N ATOM 441 CZ ARG A 50 2.587 21.125 20.350 1.00 41.06 C ATOM 442 NH1 ARG A 50 2.332 19.829 20.201 1.00 24.28 N ATOM 443 NH2 ARG A 50 3.219 21.545 21.438 1.00 30.36 N ATOM 444 HE ARG A 50 2.370 23.004 19.601 1.00 0.00 H ATOM 445 HH12 ARG A 50 2.651 19.150 20.922 1.00 0.00 H ATOM 446 HH11 ARG A 50 1.814 19.494 19.364 1.00 0.00 H ATOM 447 HH22 ARG A 50 3.534 20.859 22.154 1.00 0.00 H ATOM 448 HH21 ARG A 50 3.399 22.560 21.575 1.00 0.00 H ATOM 449 H ARG A 50 3.408 22.341 14.755 1.00 0.00 H ATOM 450 N ARG A 51 1.246 20.612 12.914 1.00 9.01 N ATOM 451 CA ARG A 51 0.376 20.236 11.805 1.00 9.06 C ATOM 452 C ARG A 51 1.174 19.466 10.752 1.00 11.15 C ATOM 453 O ARG A 51 0.751 18.381 10.375 1.00 10.84 O ATOM 454 CB ARG A 51 -0.270 21.487 11.195 1.00 9.57 C ATOM 455 CG ARG A 51 -1.105 21.172 9.974 1.00 10.55 C ATOM 456 CD ARG A 51 -1.671 22.401 9.318 1.00 12.47 C ATOM 457 NE ARG A 51 -0.677 23.451 9.093 1.00 9.87 N ATOM 458 CZ ARG A 51 0.187 23.487 8.088 1.00 17.46 C ATOM 459 NH1 ARG A 51 0.200 22.518 7.173 1.00 13.90 N ATOM 460 NH2 ARG A 51 1.046 24.488 7.986 1.00 12.82 N ATOM 461 HE ARG A 51 -0.646 24.233 9.778 1.00 0.00 H ATOM 462 HH12 ARG A 51 0.881 22.553 6.388 1.00 0.00 H ATOM 463 HH11 ARG A 51 -0.471 21.726 7.244 1.00 0.00 H ATOM 464 HH22 ARG A 51 1.723 24.514 7.197 1.00 0.00 H ATOM 465 HH21 ARG A 51 1.044 25.249 8.695 1.00 0.00 H ATOM 466 H ARG A 51 1.380 21.622 13.123 1.00 0.00 H ATOM 467 N GLU A 52 2.339 20.002 10.313 1.00 11.05 N ATOM 468 CA GLU A 52 3.139 19.322 9.300 1.00 11.87 C ATOM 469 C GLU A 52 3.655 17.970 9.753 1.00 13.51 C ATOM 470 O GLU A 52 3.766 17.048 8.944 1.00 12.54 O ATOM 471 CB GLU A 52 4.286 20.214 8.793 1.00 13.54 C ATOM 472 CG GLU A 52 3.785 21.299 7.845 1.00 16.51 C ATOM 473 CD GLU A 52 3.375 20.887 6.439 1.00 22.40 C ATOM 474 OE1 GLU A 52 3.377 19.677 6.123 1.00 22.44 O ATOM 475 OE2 GLU A 52 3.081 21.799 5.635 1.00 28.32 O ATOM 476 H GLU A 52 2.667 20.909 10.703 1.00 0.00 H ATOM 477 N LEU A 53 4.054 17.869 11.024 1.00 9.01 N ATOM 478 CA LEU A 53 4.554 16.594 11.534 1.00 8.70 C ATOM 479 C LEU A 53 3.451 15.535 11.353 1.00 11.90 C ATOM 480 O LEU A 53 3.738 14.460 10.871 1.00 11.22 O ATOM 481 CB LEU A 53 4.952 16.685 13.009 1.00 8.38 C ATOM 482 CG LEU A 53 5.461 15.334 13.588 1.00 13.45 C ATOM 483 CD1 LEU A 53 6.788 14.859 12.898 1.00 13.19 C ATOM 484 CD2 LEU A 53 5.586 15.386 15.074 1.00 13.92 C ATOM 485 H LEU A 53 4.009 18.698 11.651 1.00 0.00 H ATOM 486 N GLN A 54 2.204 15.865 11.683 1.00 10.09 N ATOM 487 CA GLN A 54 1.093 14.916 11.519 1.00 11.23 C ATOM 488 C GLN A 54 0.822 14.609 10.053 1.00 16.76 C ATOM 489 O GLN A 54 0.732 13.442 9.683 1.00 17.63 O ATOM 490 CB GLN A 54 -0.161 15.437 12.207 1.00 13.38 C ATOM 491 CG GLN A 54 -1.328 14.399 12.309 1.00 28.10 C ATOM 492 CD GLN A 54 -1.973 13.979 11.010 1.00 47.43 C ATOM 493 OE1 GLN A 54 -2.414 14.802 10.202 1.00 43.40 O ATOM 494 NE2 GLN A 54 -1.973 12.680 10.746 1.00 28.76 N ATOM 495 HE22 GLN A 54 -1.596 12.008 11.444 1.00 0.00 H ATOM 496 HE21 GLN A 54 -2.350 12.333 9.841 1.00 0.00 H ATOM 497 H GLN A 54 2.012 16.813 12.064 1.00 0.00 H ATOM 498 N GLU A 55 0.708 15.644 9.212 1.00 15.19 N ATOM 499 CA GLU A 55 0.409 15.465 7.789 1.00 14.87 C ATOM 500 C GLU A 55 1.448 14.594 7.089 1.00 18.27 C ATOM 501 O GLU A 55 1.098 13.735 6.269 1.00 18.57 O ATOM 502 CB GLU A 55 0.338 16.818 7.074 1.00 15.83 C ATOM 503 CG GLU A 55 -0.782 17.762 7.474 1.00 23.66 C ATOM 504 CD GLU A 55 -0.803 19.029 6.629 1.00 30.99 C ATOM 505 OE1 GLU A 55 -0.071 19.080 5.616 1.00 34.40 O ATOM 506 OE2 GLU A 55 -1.590 19.949 6.942 1.00 22.49 O ATOM 507 H GLU A 55 0.836 16.608 9.581 1.00 0.00 H ATOM 508 N GLU A 56 2.727 14.792 7.426 1.00 11.42 N ATOM 509 CA GLU A 56 3.812 14.095 6.779 1.00 10.56 C ATOM 510 C GLU A 56 4.232 12.761 7.401 1.00 17.64 C ATOM 511 O GLU A 56 4.752 11.896 6.683 1.00 17.25 O ATOM 512 CB GLU A 56 5.037 15.006 6.666 1.00 10.93 C ATOM 513 CG GLU A 56 4.832 16.191 5.740 1.00 16.42 C ATOM 514 CD GLU A 56 6.116 16.860 5.300 1.00 31.40 C ATOM 515 OE1 GLU A 56 7.117 16.760 6.041 1.00 17.58 O ATOM 516 OE2 GLU A 56 6.130 17.465 4.205 1.00 24.49 O ATOM 517 H GLU A 56 2.947 15.472 8.181 1.00 0.00 H ATOM 518 N SER A 57 4.086 12.615 8.723 1.00 14.28 N ATOM 519 CA SER A 57 4.531 11.387 9.398 1.00 12.30 C ATOM 520 C SER A 57 3.411 10.589 10.066 1.00 16.25 C ATOM 521 O SER A 57 3.663 9.461 10.447 1.00 16.81 O ATOM 522 CB SER A 57 5.593 11.714 10.443 1.00 12.31 C ATOM 523 OG SER A 57 4.983 12.261 11.601 1.00 12.05 O ATOM 524 HG SER A 57 4.499 13.090 11.358 1.00 0.00 H ATOM 525 H SER A 57 3.653 13.379 9.280 1.00 0.00 H ATOM 526 N GLY A 58 2.241 11.188 10.270 1.00 14.34 N ATOM 527 CA GLY A 58 1.139 10.540 10.983 1.00 15.51 C ATOM 528 C GLY A 58 1.254 10.657 12.494 1.00 18.11 C ATOM 529 O GLY A 58 0.365 10.205 13.218 1.00 18.62 O ATOM 530 H GLY A 58 2.104 12.154 9.909 1.00 0.00 H ATOM 531 N LEU A 59 2.350 11.242 12.999 1.00 13.32 N ATOM 532 CA LEU A 59 2.573 11.336 14.455 1.00 12.42 C ATOM 533 C LEU A 59 1.961 12.577 15.052 1.00 15.89 C ATOM 534 O LEU A 59 1.972 13.654 14.433 1.00 14.63 O ATOM 535 CB LEU A 59 4.071 11.329 14.807 1.00 11.84 C ATOM 536 CG LEU A 59 4.913 10.119 14.402 1.00 14.05 C ATOM 537 CD1 LEU A 59 6.374 10.367 14.709 1.00 14.83 C ATOM 538 CD2 LEU A 59 4.447 8.863 15.114 1.00 13.44 C ATOM 539 H LEU A 59 3.059 11.639 12.350 1.00 0.00 H ATOM 540 N THR A 60 1.505 12.442 16.294 1.00 13.26 N ATOM 541 CA THR A 60 0.973 13.526 17.091 1.00 12.74 C ATOM 542 C THR A 60 2.063 13.951 18.097 1.00 16.77 C ATOM 543 O THR A 60 2.432 13.177 18.975 1.00 15.59 O ATOM 544 CB THR A 60 -0.304 13.066 17.811 1.00 15.46 C ATOM 545 OG1 THR A 60 -1.298 12.758 16.819 1.00 16.11 O ATOM 546 CG2 THR A 60 -0.837 14.137 18.753 1.00 17.27 C ATOM 547 HG1 THR A 60 -2.129 12.459 17.267 1.00 0.00 H ATOM 548 H THR A 60 1.533 11.494 16.721 1.00 0.00 H ATOM 549 N VAL A 61 2.561 15.166 17.980 1.00 17.20 N ATOM 550 CA VAL A 61 3.586 15.597 18.940 1.00 17.08 C ATOM 551 C VAL A 61 2.932 16.182 20.172 1.00 24.87 C ATOM 552 O VAL A 61 1.932 16.914 20.085 1.00 24.85 O ATOM 553 CB VAL A 61 4.671 16.518 18.318 1.00 19.94 C ATOM 554 CG1 VAL A 61 4.048 17.680 17.553 1.00 19.66 C ATOM 555 CG2 VAL A 61 5.654 17.012 19.368 1.00 19.98 C ATOM 556 H VAL A 61 2.236 15.804 17.226 1.00 0.00 H ATOM 557 N ASP A 62 3.473 15.813 21.332 1.00 22.92 N ATOM 558 CA ASP A 62 2.994 16.364 22.580 1.00 23.32 C ATOM 559 C ASP A 62 3.876 17.601 22.853 1.00 28.67 C ATOM 560 O ASP A 62 3.537 18.685 22.371 1.00 29.71 O ATOM 561 CB ASP A 62 2.952 15.292 23.686 1.00 25.58 C ATOM 562 CG ASP A 62 2.067 14.084 23.352 1.00 33.14 C ATOM 563 OD1 ASP A 62 1.226 14.190 22.408 1.00 29.08 O ATOM 564 OD2 ASP A 62 2.193 13.041 24.046 1.00 40.52 O ATOM 565 H ASP A 62 4.249 15.121 21.340 1.00 0.00 H ATOM 566 N ALA A 63 5.058 17.437 23.443 1.00 23.25 N ATOM 567 CA ALA A 63 5.925 18.596 23.697 1.00 23.12 C ATOM 568 C ALA A 63 6.896 18.844 22.525 1.00 24.13 C ATOM 569 O ALA A 63 7.538 17.898 22.082 1.00 23.38 O ATOM 570 CB ALA A 63 6.697 18.386 24.997 1.00 24.37 C ATOM 571 H ALA A 63 5.369 16.485 23.725 1.00 0.00 H ATOM 572 N LEU A 64 6.978 20.089 22.025 1.00 20.48 N ATOM 573 CA LEU A 64 7.888 20.519 20.932 1.00 21.25 C ATOM 574 C LEU A 64 8.868 21.551 21.512 1.00 23.73 C ATOM 575 O LEU A 64 8.453 22.424 22.286 1.00 25.78 O ATOM 576 CB LEU A 64 7.120 21.221 19.789 1.00 22.06 C ATOM 577 CG LEU A 64 6.837 20.498 18.457 1.00 27.06 C ATOM 578 CD1 LEU A 64 6.353 21.455 17.422 1.00 28.21 C ATOM 579 CD2 LEU A 64 8.033 19.733 17.927 1.00 29.54 C ATOM 580 H LEU A 64 6.353 20.811 22.437 1.00 0.00 H ATOM 581 N HIS A 65 10.138 21.494 21.099 1.00 14.59 N ATOM 582 CA HIS A 65 11.143 22.439 21.574 1.00 14.89 C ATOM 583 C HIS A 65 11.829 23.104 20.400 1.00 14.27 C ATOM 584 O HIS A 65 12.265 22.420 19.480 1.00 11.80 O ATOM 585 CB HIS A 65 12.178 21.699 22.456 1.00 17.36 C ATOM 586 CG HIS A 65 11.521 20.881 23.527 1.00 23.11 C ATOM 587 ND1 HIS A 65 11.057 21.466 24.696 1.00 25.85 N ATOM 588 CD2 HIS A 65 11.159 19.575 23.518 1.00 25.98 C ATOM 589 CE1 HIS A 65 10.458 20.494 25.369 1.00 26.16 C ATOM 590 NE2 HIS A 65 10.510 19.338 24.705 1.00 26.77 N ATOM 591 H HIS A 65 10.417 20.756 20.421 1.00 0.00 H ATOM 592 N LYS A 66 12.003 24.430 20.464 1.00 13.40 N ATOM 593 CA LYS A 66 12.734 25.179 19.429 1.00 13.63 C ATOM 594 C LYS A 66 14.207 24.818 19.556 1.00 15.14 C ATOM 595 O LYS A 66 14.764 24.915 20.655 1.00 16.42 O ATOM 596 CB LYS A 66 12.596 26.711 19.668 1.00 17.74 C ATOM 597 CG LYS A 66 11.236 27.289 19.364 1.00 19.25 C ATOM 598 CD LYS A 66 11.174 28.825 19.646 1.00 20.12 C ATOM 599 CE LYS A 66 11.271 29.257 21.102 1.00 26.88 C ATOM 600 NZ LYS A 66 10.271 28.603 21.995 1.00 34.39 N ATOM 601 HZ1 LYS A 66 9.312 28.835 21.668 1.00 0.00 H ATOM 602 HZ2 LYS A 66 10.407 27.572 21.970 1.00 0.00 H ATOM 603 HZ3 LYS A 66 10.400 28.947 22.968 1.00 0.00 H ATOM 604 H LYS A 66 11.608 24.949 21.274 1.00 0.00 H ATOM 605 N VAL A 67 14.842 24.411 18.446 1.00 10.17 N ATOM 606 CA VAL A 67 16.255 24.057 18.449 1.00 11.17 C ATOM 607 C VAL A 67 17.083 24.905 17.499 1.00 10.64 C ATOM 608 O VAL A 67 18.262 25.112 17.755 1.00 10.36 O ATOM 609 CB VAL A 67 16.535 22.565 18.282 1.00 16.69 C ATOM 610 CG1 VAL A 67 15.993 21.816 19.482 1.00 18.28 C ATOM 611 CG2 VAL A 67 15.942 22.025 16.994 1.00 16.38 C ATOM 612 H VAL A 67 14.308 24.346 17.556 1.00 0.00 H ATOM 613 N GLY A 68 16.481 25.441 16.458 1.00 7.11 N ATOM 614 CA GLY A 68 17.295 26.267 15.566 1.00 7.19 C ATOM 615 C GLY A 68 16.550 27.115 14.570 1.00 10.28 C ATOM 616 O GLY A 68 15.348 26.973 14.369 1.00 8.30 O ATOM 617 H GLY A 68 15.469 25.284 16.277 1.00 0.00 H ATOM 618 N GLN A 69 17.289 27.989 13.915 1.00 7.07 N ATOM 619 CA GLN A 69 16.756 28.751 12.803 1.00 5.94 C ATOM 620 C GLN A 69 17.778 28.673 11.698 1.00 9.26 C ATOM 621 O GLN A 69 18.960 28.992 11.922 1.00 9.03 O ATOM 622 CB GLN A 69 16.413 30.186 13.199 1.00 8.38 C ATOM 623 CG GLN A 69 15.798 31.001 12.053 1.00 16.99 C ATOM 624 CD GLN A 69 15.588 32.447 12.453 1.00 35.01 C ATOM 625 OE1 GLN A 69 16.182 32.961 13.418 1.00 30.89 O ATOM 626 NE2 GLN A 69 14.759 33.146 11.705 1.00 21.75 N ATOM 627 HE22 GLN A 69 14.274 32.694 10.904 1.00 0.00 H ATOM 628 HE21 GLN A 69 14.589 34.150 11.916 1.00 0.00 H ATOM 629 H GLN A 69 18.278 28.135 14.203 1.00 0.00 H ATOM 630 N ILE A 70 17.347 28.234 10.497 1.00 5.84 N ATOM 631 CA ILE A 70 18.291 28.135 9.358 1.00 6.08 C ATOM 632 C ILE A 70 17.712 28.836 8.160 1.00 8.46 C ATOM 633 O ILE A 70 16.624 28.473 7.713 1.00 8.28 O ATOM 634 CB ILE A 70 18.670 26.689 8.954 1.00 9.94 C ATOM 635 CG1 ILE A 70 19.099 25.817 10.131 1.00 11.99 C ATOM 636 CG2 ILE A 70 19.803 26.703 7.879 1.00 14.11 C ATOM 637 CD1 ILE A 70 19.097 24.375 9.779 1.00 15.80 C ATOM 638 H ILE A 70 16.351 27.965 10.370 1.00 0.00 H ATOM 639 N VAL A 71 18.464 29.787 7.591 1.00 7.26 N ATOM 640 CA VAL A 71 18.017 30.485 6.389 1.00 7.21 C ATOM 641 C VAL A 71 18.703 29.851 5.175 1.00 11.45 C ATOM 642 O VAL A 71 19.938 29.728 5.167 1.00 10.38 O ATOM 643 CB VAL A 71 18.291 32.009 6.461 1.00 11.52 C ATOM 644 CG1 VAL A 71 17.951 32.690 5.126 1.00 10.59 C ATOM 645 CG2 VAL A 71 17.505 32.667 7.600 1.00 10.53 C ATOM 646 H VAL A 71 19.382 30.033 8.013 1.00 0.00 H ATOM 647 N PHE A 72 17.906 29.405 4.179 1.00 6.33 N ATOM 648 CA PHE A 72 18.463 28.865 2.936 1.00 5.58 C ATOM 649 C PHE A 72 18.296 29.828 1.792 1.00 9.32 C ATOM 650 O PHE A 72 17.213 30.370 1.560 1.00 9.51 O ATOM 651 CB PHE A 72 17.820 27.544 2.533 1.00 7.79 C ATOM 652 CG PHE A 72 18.062 26.469 3.543 1.00 9.00 C ATOM 653 CD1 PHE A 72 19.313 25.873 3.658 1.00 11.84 C ATOM 654 CD2 PHE A 72 17.025 25.987 4.328 1.00 11.23 C ATOM 655 CE1 PHE A 72 19.547 24.896 4.630 1.00 12.96 C ATOM 656 CE2 PHE A 72 17.245 24.973 5.247 1.00 13.21 C ATOM 657 CZ PHE A 72 18.508 24.442 5.404 1.00 10.85 C ATOM 658 H PHE A 72 16.874 29.446 4.297 1.00 0.00 H ATOM 659 N GLU A 73 19.383 30.031 1.083 1.00 6.16 N ATOM 660 CA GLU A 73 19.393 30.819 -0.125 1.00 6.69 C ATOM 661 C GLU A 73 19.734 29.895 -1.291 1.00 11.48 C ATOM 662 O GLU A 73 20.676 29.119 -1.187 1.00 9.33 O ATOM 663 CB GLU A 73 20.459 31.916 -0.019 1.00 8.47 C ATOM 664 CG GLU A 73 20.523 32.700 -1.311 1.00 11.80 C ATOM 665 CD GLU A 73 21.640 33.704 -1.426 1.00 11.75 C ATOM 666 OE1 GLU A 73 22.079 34.258 -0.391 1.00 21.83 O ATOM 667 OE2 GLU A 73 21.953 34.055 -2.578 1.00 17.42 O ATOM 668 H GLU A 73 20.275 29.605 1.407 1.00 0.00 H ATOM 669 N PHE A 74 18.941 29.944 -2.378 1.00 9.27 N ATOM 670 CA PHE A 74 19.241 29.237 -3.617 1.00 9.67 C ATOM 671 C PHE A 74 19.561 30.319 -4.626 1.00 13.58 C ATOM 672 O PHE A 74 18.718 31.176 -4.890 1.00 11.88 O ATOM 673 CB PHE A 74 18.074 28.314 -4.058 1.00 11.91 C ATOM 674 CG PHE A 74 17.924 27.152 -3.114 1.00 12.09 C ATOM 675 CD1 PHE A 74 17.121 27.253 -1.985 1.00 14.10 C ATOM 676 CD2 PHE A 74 18.631 25.967 -3.323 1.00 13.80 C ATOM 677 CE1 PHE A 74 17.022 26.181 -1.075 1.00 16.06 C ATOM 678 CE2 PHE A 74 18.544 24.910 -2.407 1.00 14.48 C ATOM 679 CZ PHE A 74 17.744 25.026 -1.290 1.00 13.97 C ATOM 680 H PHE A 74 18.072 30.514 -2.331 1.00 0.00 H ATOM 681 N VAL A 75 20.800 30.337 -5.146 1.00 11.27 N ATOM 682 CA VAL A 75 21.209 31.374 -6.099 1.00 13.23 C ATOM 683 C VAL A 75 20.234 31.439 -7.293 1.00 17.44 C ATOM 684 O VAL A 75 19.864 30.415 -7.851 1.00 15.85 O ATOM 685 CB VAL A 75 22.710 31.295 -6.526 1.00 20.48 C ATOM 686 CG1 VAL A 75 23.608 31.423 -5.316 1.00 19.63 C ATOM 687 CG2 VAL A 75 23.042 30.024 -7.302 1.00 21.51 C ATOM 688 H VAL A 75 21.481 29.602 -4.868 1.00 0.00 H ATOM 689 N GLY A 76 19.714 32.624 -7.564 1.00 17.30 N ATOM 690 CA GLY A 76 18.732 32.789 -8.633 1.00 18.94 C ATOM 691 C GLY A 76 17.276 32.645 -8.214 1.00 25.17 C ATOM 692 O GLY A 76 16.372 32.889 -9.022 1.00 26.30 O ATOM 693 H GLY A 76 20.009 33.452 -7.007 1.00 0.00 H ATOM 694 N GLU A 77 17.027 32.214 -6.975 1.00 17.38 N ATOM 695 CA GLU A 77 15.670 32.089 -6.423 1.00 15.93 C ATOM 696 C GLU A 77 15.478 33.311 -5.519 1.00 15.24 C ATOM 697 O GLU A 77 16.285 33.523 -4.602 1.00 12.85 O ATOM 698 CB GLU A 77 15.486 30.796 -5.607 1.00 16.57 C ATOM 699 H GLU A 77 17.832 31.954 -6.371 1.00 0.00 H ATOM 700 N PRO A 78 14.457 34.143 -5.774 1.00 12.82 N ATOM 701 CA PRO A 78 14.290 35.349 -4.950 1.00 11.81 C ATOM 702 C PRO A 78 13.969 35.120 -3.505 1.00 13.09 C ATOM 703 O PRO A 78 14.433 35.888 -2.660 1.00 11.89 O ATOM 704 CB PRO A 78 13.131 36.115 -5.624 1.00 14.72 C ATOM 705 CG PRO A 78 12.404 35.096 -6.445 1.00 20.13 C ATOM 706 CD PRO A 78 13.456 34.076 -6.860 1.00 15.06 C ATOM 707 N GLU A 79 13.180 34.080 -3.200 1.00 9.39 N ATOM 708 CA GLU A 79 12.784 33.865 -1.825 1.00 10.27 C ATOM 709 C GLU A 79 13.768 33.062 -0.991 1.00 12.60 C ATOM 710 O GLU A 79 14.187 31.972 -1.388 1.00 10.53 O ATOM 711 CB GLU A 79 11.398 33.216 -1.779 1.00 13.36 C ATOM 712 CG GLU A 79 10.791 33.238 -0.388 1.00 26.50 C ATOM 713 H GLU A 79 12.855 33.433 -3.946 1.00 0.00 H ATOM 714 N LEU A 80 14.126 33.599 0.179 1.00 10.50 N ATOM 715 CA LEU A 80 14.934 32.875 1.154 1.00 9.31 C ATOM 716 C LEU A 80 14.002 31.972 1.958 1.00 13.22 C ATOM 717 O LEU A 80 12.899 32.400 2.300 1.00 12.81 O ATOM 718 CB LEU A 80 15.587 33.860 2.142 1.00 8.90 C ATOM 719 CG LEU A 80 16.583 34.864 1.527 1.00 12.14 C ATOM 720 CD1 LEU A 80 17.232 35.721 2.601 1.00 12.46 C ATOM 721 CD2 LEU A 80 17.651 34.132 0.691 1.00 11.55 C ATOM 722 H LEU A 80 13.818 34.567 0.402 1.00 0.00 H ATOM 723 N MET A 81 14.458 30.764 2.301 1.00 8.12 N ATOM 724 CA MET A 81 13.655 29.871 3.158 1.00 7.73 C ATOM 725 C MET A 81 14.071 30.119 4.592 1.00 11.05 C ATOM 726 O MET A 81 15.219 29.875 4.949 1.00 11.58 O ATOM 727 CB MET A 81 13.828 28.394 2.793 1.00 9.23 C ATOM 728 CG MET A 81 13.388 28.064 1.386 1.00 12.46 C ATOM 729 SD MET A 81 13.823 26.344 1.002 1.00 15.82 S ATOM 730 CE MET A 81 12.592 25.400 1.971 1.00 13.06 C ATOM 731 H MET A 81 15.389 30.450 1.960 1.00 0.00 H ATOM 732 N ASP A 82 13.159 30.652 5.414 1.00 7.08 N ATOM 733 CA ASP A 82 13.449 30.878 6.823 1.00 6.20 C ATOM 734 C ASP A 82 12.909 29.678 7.606 1.00 9.63 C ATOM 735 O ASP A 82 11.717 29.584 7.918 1.00 8.99 O ATOM 736 CB ASP A 82 12.829 32.212 7.257 1.00 8.46 C ATOM 737 CG ASP A 82 12.917 32.546 8.715 1.00 14.39 C ATOM 738 OD1 ASP A 82 13.760 31.960 9.409 1.00 16.88 O ATOM 739 OD2 ASP A 82 12.186 33.435 9.147 1.00 22.43 O ATOM 740 H ASP A 82 12.224 30.910 5.039 1.00 0.00 H ATOM 741 N VAL A 83 13.790 28.745 7.894 1.00 5.26 N ATOM 742 CA VAL A 83 13.381 27.466 8.497 1.00 6.27 C ATOM 743 C VAL A 83 13.531 27.460 9.989 1.00 8.40 C ATOM 744 O VAL A 83 14.635 27.551 10.519 1.00 9.38 O ATOM 745 CB VAL A 83 14.098 26.273 7.818 1.00 9.81 C ATOM 746 CG1 VAL A 83 13.601 24.945 8.371 1.00 10.48 C ATOM 747 CG2 VAL A 83 13.957 26.341 6.274 1.00 8.93 C ATOM 748 H VAL A 83 14.796 28.914 7.692 1.00 0.00 H ATOM 749 N HIS A 84 12.410 27.244 10.668 1.00 6.56 N ATOM 750 CA HIS A 84 12.344 27.130 12.123 1.00 5.24 C ATOM 751 C HIS A 84 12.363 25.671 12.513 1.00 9.21 C ATOM 752 O HIS A 84 11.460 24.895 12.142 1.00 7.29 O ATOM 753 CB HIS A 84 11.100 27.898 12.632 1.00 5.65 C ATOM 754 CG HIS A 84 11.221 29.385 12.457 1.00 8.69 C ATOM 755 ND1 HIS A 84 11.328 30.220 13.546 1.00 10.96 N ATOM 756 CD2 HIS A 84 11.229 30.139 11.326 1.00 10.61 C ATOM 757 CE1 HIS A 84 11.431 31.452 13.056 1.00 10.78 C ATOM 758 NE2 HIS A 84 11.381 31.451 11.724 1.00 11.41 N ATOM 759 H HIS A 84 11.525 27.150 10.131 1.00 0.00 H ATOM 760 N VAL A 85 13.471 25.264 13.142 1.00 5.78 N ATOM 761 CA VAL A 85 13.746 23.860 13.467 1.00 4.20 C ATOM 762 C VAL A 85 13.287 23.538 14.862 1.00 7.74 C ATOM 763 O VAL A 85 13.583 24.287 15.796 1.00 7.79 O ATOM 764 CB VAL A 85 15.234 23.475 13.240 1.00 6.70 C ATOM 765 CG1 VAL A 85 15.436 21.936 13.337 1.00 7.07 C ATOM 766 CG2 VAL A 85 15.721 23.996 11.888 1.00 6.40 C ATOM 767 H VAL A 85 14.174 25.980 13.415 1.00 0.00 H ATOM 768 N PHE A 86 12.606 22.388 15.004 1.00 5.36 N ATOM 769 CA PHE A 86 12.129 21.944 16.303 1.00 6.86 C ATOM 770 C PHE A 86 12.481 20.515 16.523 1.00 8.31 C ATOM 771 O PHE A 86 12.690 19.752 15.562 1.00 7.27 O ATOM 772 CB PHE A 86 10.586 22.009 16.383 1.00 9.32 C ATOM 773 CG PHE A 86 10.003 23.389 16.269 1.00 9.84 C ATOM 774 CD1 PHE A 86 9.744 23.950 15.022 1.00 10.76 C ATOM 775 CD2 PHE A 86 9.639 24.103 17.404 1.00 10.97 C ATOM 776 CE1 PHE A 86 9.171 25.232 14.913 1.00 11.82 C ATOM 777 CE2 PHE A 86 9.083 25.384 17.296 1.00 14.35 C ATOM 778 CZ PHE A 86 8.852 25.941 16.049 1.00 12.22 C ATOM 779 H PHE A 86 12.416 21.803 14.166 1.00 0.00 H ATOM 780 N CYS A 87 12.505 20.151 17.812 1.00 7.47 N ATOM 781 CA CYS A 87 12.788 18.793 18.240 1.00 7.79 C ATOM 782 C CYS A 87 11.716 18.296 19.200 1.00 10.89 C ATOM 783 O CYS A 87 11.180 19.095 19.971 1.00 9.59 O ATOM 784 CB CYS A 87 14.161 18.754 18.893 1.00 8.47 C ATOM 785 SG CYS A 87 14.849 17.100 19.048 1.00 12.70 S ATOM 786 H CYS A 87 12.313 20.872 18.537 1.00 0.00 H ATOM 787 N THR A 88 11.457 16.990 19.196 1.00 9.67 N ATOM 788 CA THR A 88 10.553 16.372 20.165 1.00 11.74 C ATOM 789 C THR A 88 11.091 14.983 20.518 1.00 19.32 C ATOM 790 O THR A 88 11.666 14.314 19.649 1.00 17.93 O ATOM 791 CB THR A 88 9.103 16.288 19.684 1.00 20.71 C ATOM 792 OG1 THR A 88 8.330 15.689 20.745 1.00 21.45 O ATOM 793 CG2 THR A 88 8.950 15.482 18.409 1.00 16.82 C ATOM 794 HG1 THR A 88 8.394 16.252 21.557 1.00 0.00 H ATOM 795 H THR A 88 11.913 16.389 18.480 1.00 0.00 H ATOM 796 N ASP A 89 10.851 14.521 21.752 1.00 19.39 N ATOM 797 CA ASP A 89 11.154 13.151 22.133 1.00 20.60 C ATOM 798 C ASP A 89 9.832 12.465 22.532 1.00 29.55 C ATOM 799 O ASP A 89 9.790 11.230 22.620 1.00 32.59 O ATOM 800 CB ASP A 89 12.190 13.087 23.289 1.00 22.10 C ATOM 801 CG ASP A 89 11.767 13.659 24.642 1.00 35.70 C ATOM 802 OD1 ASP A 89 10.546 13.897 24.844 1.00 36.71 O ATOM 803 OD2 ASP A 89 12.648 13.814 25.522 1.00 44.68 O ATOM 804 H ASP A 89 10.436 15.161 22.459 1.00 0.00 H ATOM 805 N SER A 90 8.763 13.283 22.775 1.00 25.85 N ATOM 806 CA SER A 90 7.423 12.832 23.198 1.00 25.01 C ATOM 807 C SER A 90 6.387 12.946 22.075 1.00 24.44 C ATOM 808 O SER A 90 5.948 14.034 21.677 1.00 23.57 O ATOM 809 CB SER A 90 6.975 13.515 24.493 1.00 31.68 C ATOM 810 OG SER A 90 6.068 14.593 24.327 1.00 43.38 O ATOM 811 HG SER A 90 5.246 14.266 23.882 1.00 0.00 H ATOM 812 H SER A 90 8.906 14.306 22.652 1.00 0.00 H ATOM 813 N ILE A 91 6.068 11.788 21.516 1.00 18.17 N ATOM 814 CA ILE A 91 5.146 11.630 20.400 1.00 15.34 C ATOM 815 C ILE A 91 4.141 10.527 20.713 1.00 16.32 C ATOM 816 O ILE A 91 4.364 9.694 21.599 1.00 16.89 O ATOM 817 CB ILE A 91 5.909 11.380 19.053 1.00 17.99 C ATOM 818 CG1 ILE A 91 6.971 10.265 19.177 1.00 20.56 C ATOM 819 CG2 ILE A 91 6.606 12.653 18.551 1.00 17.55 C ATOM 820 CD1 ILE A 91 6.679 9.039 18.478 1.00 23.21 C ATOM 821 H ILE A 91 6.508 10.929 21.903 1.00 0.00 H ATOM 822 N GLN A 92 3.056 10.524 19.960 1.00 10.73 N ATOM 823 CA GLN A 92 1.975 9.530 19.981 1.00 10.29 C ATOM 824 C GLN A 92 1.729 9.063 18.567 1.00 16.01 C ATOM 825 O GLN A 92 1.768 9.867 17.630 1.00 15.05 O ATOM 826 CB GLN A 92 0.669 10.158 20.517 1.00 11.77 C ATOM 827 CG GLN A 92 0.767 10.528 21.970 1.00 15.52 C ATOM 828 CD GLN A 92 -0.554 11.032 22.468 1.00 34.06 C ATOM 829 OE1 GLN A 92 -1.390 10.269 22.975 1.00 27.21 O ATOM 830 NE2 GLN A 92 -0.751 12.335 22.368 1.00 22.63 N ATOM 831 HE22 GLN A 92 -0.023 12.939 21.936 1.00 0.00 H ATOM 832 HE21 GLN A 92 -1.634 12.756 22.722 1.00 0.00 H ATOM 833 H GLN A 92 2.957 11.306 19.282 1.00 0.00 H ATOM 834 N GLY A 93 1.411 7.782 18.432 1.00 16.46 N ATOM 835 CA GLY A 93 1.138 7.181 17.133 1.00 16.57 C ATOM 836 C GLY A 93 2.339 6.438 16.589 1.00 18.83 C ATOM 837 O GLY A 93 3.414 6.422 17.195 1.00 18.25 O ATOM 838 H GLY A 93 1.355 7.186 19.283 1.00 0.00 H ATOM 839 N THR A 94 2.148 5.791 15.466 1.00 15.04 N ATOM 840 CA THR A 94 3.238 5.076 14.792 1.00 13.93 C ATOM 841 C THR A 94 3.409 5.793 13.464 1.00 15.23 C ATOM 842 O THR A 94 2.400 6.179 12.863 1.00 15.12 O ATOM 843 CB THR A 94 2.871 3.575 14.627 1.00 22.91 C ATOM 844 OG1 THR A 94 2.875 2.972 15.927 1.00 30.43 O ATOM 845 CG2 THR A 94 3.889 2.795 13.760 1.00 19.04 C ATOM 846 HG1 THR A 94 2.643 2.013 15.845 1.00 0.00 H ATOM 847 H THR A 94 1.199 5.784 15.041 1.00 0.00 H ATOM 848 N PRO A 95 4.667 5.946 12.980 1.00 12.60 N ATOM 849 CA PRO A 95 4.884 6.619 11.695 1.00 11.34 C ATOM 850 C PRO A 95 4.191 5.848 10.572 1.00 15.90 C ATOM 851 O PRO A 95 4.196 4.613 10.538 1.00 14.61 O ATOM 852 CB PRO A 95 6.417 6.619 11.547 1.00 12.71 C ATOM 853 CG PRO A 95 6.950 6.464 12.948 1.00 17.39 C ATOM 854 CD PRO A 95 5.952 5.542 13.601 1.00 13.35 C ATOM 855 N VAL A 96 3.565 6.601 9.695 1.00 14.28 N ATOM 856 CA VAL A 96 2.734 6.138 8.584 1.00 15.08 C ATOM 857 C VAL A 96 3.429 6.408 7.250 1.00 16.88 C ATOM 858 O VAL A 96 3.806 7.552 7.006 1.00 16.73 O ATOM 859 CB VAL A 96 1.367 6.899 8.640 1.00 21.07 C ATOM 860 CG1 VAL A 96 0.536 6.654 7.379 1.00 21.61 C ATOM 861 CG2 VAL A 96 0.554 6.548 9.896 1.00 21.77 C ATOM 862 H VAL A 96 3.671 7.630 9.802 1.00 0.00 H ATOM 863 N GLU A 97 3.558 5.393 6.378 1.00 11.82 N ATOM 864 CA GLU A 97 4.098 5.614 5.029 1.00 11.48 C ATOM 865 C GLU A 97 2.957 6.036 4.159 1.00 12.78 C ATOM 866 O GLU A 97 1.881 5.416 4.179 1.00 13.01 O ATOM 867 CB GLU A 97 4.762 4.353 4.423 1.00 12.69 C ATOM 868 CG GLU A 97 5.053 4.481 2.935 1.00 15.68 C ATOM 869 CD GLU A 97 6.048 3.526 2.312 1.00 20.61 C ATOM 870 OE1 GLU A 97 6.252 2.442 2.883 1.00 23.65 O ATOM 871 OE2 GLU A 97 6.555 3.823 1.207 1.00 25.51 O ATOM 872 H GLU A 97 3.271 4.435 6.663 1.00 0.00 H ATOM 873 N SER A 98 3.171 7.108 3.392 1.00 11.43 N ATOM 874 CA SER A 98 2.140 7.568 2.473 1.00 11.35 C ATOM 875 C SER A 98 2.768 7.681 1.106 1.00 16.63 C ATOM 876 O SER A 98 3.976 7.406 0.937 1.00 13.34 O ATOM 877 CB SER A 98 1.612 8.932 2.921 1.00 12.39 C ATOM 878 OG SER A 98 2.661 9.887 2.867 1.00 16.75 O ATOM 879 HG SER A 98 2.318 10.769 3.157 1.00 0.00 H ATOM 880 H SER A 98 4.077 7.616 3.451 1.00 0.00 H ATOM 881 N ASP A 99 1.956 8.108 0.136 1.00 14.22 N ATOM 882 CA ASP A 99 2.339 8.424 -1.236 1.00 14.87 C ATOM 883 C ASP A 99 3.466 9.476 -1.217 1.00 19.67 C ATOM 884 O ASP A 99 4.284 9.552 -2.120 1.00 23.95 O ATOM 885 CB ASP A 99 1.105 9.021 -1.976 1.00 16.22 C ATOM 886 CG ASP A 99 0.463 10.290 -1.383 1.00 21.07 C ATOM 887 OD1 ASP A 99 0.652 10.561 -0.166 1.00 17.43 O ATOM 888 OD2 ASP A 99 -0.278 10.973 -2.114 1.00 28.78 O ATOM 889 H ASP A 99 0.953 8.227 0.382 1.00 0.00 H ATOM 890 N GLU A 100 3.447 10.324 -0.209 1.00 14.44 N ATOM 891 CA GLU A 100 4.381 11.444 -0.129 1.00 15.56 C ATOM 892 C GLU A 100 5.665 11.193 0.642 1.00 16.65 C ATOM 893 O GLU A 100 6.664 11.858 0.364 1.00 16.02 O ATOM 894 CB GLU A 100 3.683 12.675 0.474 1.00 17.12 C ATOM 895 H GLU A 100 2.748 10.192 0.550 1.00 0.00 H ATOM 896 N MET A 101 5.653 10.267 1.609 1.00 11.64 N ATOM 897 CA MET A 101 6.789 10.128 2.511 1.00 12.52 C ATOM 898 C MET A 101 6.928 8.727 3.031 1.00 14.82 C ATOM 899 O MET A 101 5.927 8.122 3.433 1.00 15.48 O ATOM 900 CB MET A 101 6.498 11.063 3.714 1.00 15.33 C ATOM 901 CG MET A 101 7.652 11.327 4.611 1.00 18.25 C ATOM 902 SD MET A 101 8.870 12.425 3.856 1.00 21.31 S ATOM 903 CE MET A 101 8.030 14.097 4.030 1.00 19.49 C ATOM 904 H MET A 101 4.828 9.643 1.717 1.00 0.00 H ATOM 905 N ARG A 102 8.180 8.221 3.088 1.00 9.96 N ATOM 906 CA ARG A 102 8.476 6.904 3.644 1.00 9.32 C ATOM 907 C ARG A 102 9.304 7.076 4.961 1.00 13.19 C ATOM 908 O ARG A 102 10.516 7.253 4.904 1.00 10.64 O ATOM 909 CB ARG A 102 9.201 6.037 2.609 1.00 10.29 C ATOM 910 CG ARG A 102 9.586 4.650 3.090 1.00 14.25 C ATOM 911 CD ARG A 102 10.077 3.796 1.930 1.00 13.34 C ATOM 912 NE ARG A 102 11.314 4.300 1.306 1.00 12.38 N ATOM 913 CZ ARG A 102 12.549 3.925 1.643 1.00 20.92 C ATOM 914 NH1 ARG A 102 12.744 3.081 2.646 1.00 13.56 N ATOM 915 NH2 ARG A 102 13.600 4.419 0.999 1.00 18.73 N ATOM 916 HE ARG A 102 11.216 5.002 0.545 1.00 0.00 H ATOM 917 HH12 ARG A 102 13.710 2.793 2.903 1.00 0.00 H ATOM 918 HH11 ARG A 102 11.931 2.707 3.176 1.00 0.00 H ATOM 919 HH22 ARG A 102 14.560 4.123 1.267 1.00 0.00 H ATOM 920 HH21 ARG A 102 13.463 5.102 0.227 1.00 0.00 H ATOM 921 H ARG A 102 8.966 8.794 2.720 1.00 0.00 H ATOM 922 N PRO A 103 8.655 7.046 6.146 1.00 12.01 N ATOM 923 CA PRO A 103 9.408 7.222 7.409 1.00 11.15 C ATOM 924 C PRO A 103 10.206 5.986 7.847 1.00 12.00 C ATOM 925 O PRO A 103 9.784 4.847 7.680 1.00 12.84 O ATOM 926 CB PRO A 103 8.322 7.605 8.445 1.00 13.27 C ATOM 927 CG PRO A 103 7.041 7.819 7.650 1.00 19.87 C ATOM 928 CD PRO A 103 7.204 6.942 6.407 1.00 15.71 C ATOM 929 N CYS A 104 11.379 6.233 8.434 1.00 7.99 N ATOM 930 CA CYS A 104 12.258 5.201 8.930 1.00 8.92 C ATOM 931 C CYS A 104 13.028 5.707 10.152 1.00 9.91 C ATOM 932 O CYS A 104 13.495 6.842 10.140 1.00 10.16 O ATOM 933 CB CYS A 104 13.211 4.802 7.818 1.00 11.61 C ATOM 934 SG CYS A 104 14.109 3.284 8.138 1.00 17.09 S ATOM 935 H CYS A 104 11.676 7.224 8.540 1.00 0.00 H ATOM 936 N TRP A 105 13.212 4.850 11.149 1.00 9.08 N ATOM 937 CA TRP A 105 13.988 5.189 12.342 1.00 10.79 C ATOM 938 C TRP A 105 15.454 4.893 12.028 1.00 14.58 C ATOM 939 O TRP A 105 15.755 3.831 11.463 1.00 14.96 O ATOM 940 CB TRP A 105 13.558 4.320 13.528 1.00 10.18 C ATOM 941 CG TRP A 105 12.235 4.683 14.131 1.00 10.06 C ATOM 942 CD1 TRP A 105 11.075 3.973 14.043 1.00 13.42 C ATOM 943 CD2 TRP A 105 11.949 5.820 14.962 1.00 9.61 C ATOM 944 NE1 TRP A 105 10.063 4.634 14.710 1.00 12.28 N ATOM 945 CE2 TRP A 105 10.586 5.744 15.323 1.00 12.47 C ATOM 946 CE3 TRP A 105 12.699 6.939 15.383 1.00 10.63 C ATOM 947 CZ2 TRP A 105 9.964 6.719 16.118 1.00 11.38 C ATOM 948 CZ3 TRP A 105 12.100 7.869 16.239 1.00 10.99 C ATOM 949 CH2 TRP A 105 10.756 7.748 16.608 1.00 11.29 C ATOM 950 HE1 TRP A 105 9.066 4.338 14.742 1.00 0.00 H ATOM 951 H TRP A 105 12.789 3.903 11.079 1.00 0.00 H ATOM 952 N PHE A 106 16.369 5.791 12.424 1.00 8.44 N ATOM 953 CA PHE A 106 17.809 5.588 12.255 1.00 8.80 C ATOM 954 C PHE A 106 18.494 5.642 13.594 1.00 12.82 C ATOM 955 O PHE A 106 18.284 6.593 14.345 1.00 11.50 O ATOM 956 CB PHE A 106 18.422 6.686 11.347 1.00 9.26 C ATOM 957 CG PHE A 106 17.939 6.561 9.923 1.00 10.39 C ATOM 958 CD1 PHE A 106 18.612 5.750 9.014 1.00 11.83 C ATOM 959 CD2 PHE A 106 16.779 7.211 9.506 1.00 11.41 C ATOM 960 CE1 PHE A 106 18.135 5.589 7.717 1.00 13.61 C ATOM 961 CE2 PHE A 106 16.288 7.028 8.217 1.00 11.78 C ATOM 962 CZ PHE A 106 16.975 6.227 7.324 1.00 10.78 C ATOM 963 H PHE A 106 16.041 6.671 12.871 1.00 0.00 H ATOM 964 N GLN A 107 19.408 4.693 13.833 1.00 11.86 N ATOM 965 CA GLN A 107 20.242 4.731 15.035 1.00 11.54 C ATOM 966 C GLN A 107 21.127 5.953 14.843 1.00 13.66 C ATOM 967 O GLN A 107 21.469 6.274 13.703 1.00 12.11 O ATOM 968 CB GLN A 107 21.092 3.447 15.142 1.00 12.60 C ATOM 969 CG GLN A 107 20.258 2.180 15.399 1.00 23.46 C ATOM 970 CD GLN A 107 19.566 2.218 16.735 1.00 31.43 C ATOM 971 OE1 GLN A 107 20.198 2.140 17.790 1.00 24.94 O ATOM 972 NE2 GLN A 107 18.254 2.371 16.721 1.00 22.96 N ATOM 973 HE22 GLN A 107 17.747 2.434 15.815 1.00 0.00 H ATOM 974 HE21 GLN A 107 17.728 2.429 17.616 1.00 0.00 H ATOM 975 H GLN A 107 19.527 3.915 13.153 1.00 0.00 H ATOM 976 N LEU A 108 21.498 6.637 15.934 1.00 11.77 N ATOM 977 CA LEU A 108 22.237 7.909 15.839 1.00 13.03 C ATOM 978 C LEU A 108 23.581 7.808 15.106 1.00 17.04 C ATOM 979 O LEU A 108 23.921 8.734 14.367 1.00 17.81 O ATOM 980 CB LEU A 108 22.383 8.568 17.215 1.00 13.81 C ATOM 981 CG LEU A 108 21.049 8.865 17.946 1.00 17.71 C ATOM 982 CD1 LEU A 108 21.281 9.780 19.154 1.00 18.48 C ATOM 983 CD2 LEU A 108 20.039 9.575 17.011 1.00 15.37 C ATOM 984 H LEU A 108 21.258 6.260 16.873 1.00 0.00 H ATOM 985 N ASP A 109 24.276 6.669 15.205 1.00 15.90 N ATOM 986 CA ASP A 109 25.557 6.507 14.495 1.00 17.10 C ATOM 987 C ASP A 109 25.388 6.064 13.059 1.00 21.15 C ATOM 988 O ASP A 109 26.395 5.846 12.362 1.00 22.61 O ATOM 989 CB ASP A 109 26.449 5.484 15.213 1.00 20.07 C ATOM 990 CG ASP A 109 27.149 6.002 16.446 1.00 30.37 C ATOM 991 OD1 ASP A 109 26.878 7.162 16.847 1.00 29.51 O ATOM 992 OD2 ASP A 109 27.938 5.241 17.028 1.00 33.79 O ATOM 993 H ASP A 109 23.909 5.891 15.789 1.00 0.00 H ATOM 994 N GLN A 110 24.127 5.905 12.614 1.00 14.45 N ATOM 995 CA GLN A 110 23.825 5.438 11.264 1.00 12.83 C ATOM 996 C GLN A 110 22.941 6.436 10.506 1.00 14.68 C ATOM 997 O GLN A 110 22.232 6.040 9.573 1.00 15.79 O ATOM 998 CB GLN A 110 23.154 4.052 11.325 1.00 14.75 C ATOM 999 CG GLN A 110 24.059 2.931 11.843 1.00 24.83 C ATOM 1000 CD GLN A 110 23.324 1.621 11.802 1.00 52.15 C ATOM 1001 OE1 GLN A 110 23.295 0.937 10.777 1.00 49.22 O ATOM 1002 NE2 GLN A 110 22.652 1.272 12.895 1.00 49.89 N ATOM 1003 HE22 GLN A 110 22.696 1.869 13.745 1.00 0.00 H ATOM 1004 HE21 GLN A 110 22.083 0.402 12.900 1.00 0.00 H ATOM 1005 H GLN A 110 23.339 6.123 13.256 1.00 0.00 H ATOM 1006 N ILE A 111 23.026 7.735 10.855 1.00 9.90 N ATOM 1007 CA ILE A 111 22.269 8.785 10.154 1.00 9.21 C ATOM 1008 C ILE A 111 22.792 8.868 8.691 1.00 11.08 C ATOM 1009 O ILE A 111 24.010 8.886 8.476 1.00 11.59 O ATOM 1010 CB ILE A 111 22.279 10.103 10.951 1.00 11.58 C ATOM 1011 CG1 ILE A 111 21.489 9.894 12.308 1.00 11.07 C ATOM 1012 CG2 ILE A 111 21.671 11.256 10.145 1.00 13.01 C ATOM 1013 CD1 ILE A 111 21.582 11.034 13.325 1.00 14.08 C ATOM 1014 H ILE A 111 23.646 8.004 11.645 1.00 0.00 H ATOM 1015 N PRO A 112 21.881 8.740 7.695 1.00 10.58 N ATOM 1016 CA PRO A 112 22.312 8.604 6.293 1.00 10.27 C ATOM 1017 C PRO A 112 22.664 9.920 5.605 1.00 12.32 C ATOM 1018 O PRO A 112 22.015 10.311 4.632 1.00 11.22 O ATOM 1019 CB PRO A 112 21.103 7.921 5.630 1.00 12.75 C ATOM 1020 CG PRO A 112 19.947 8.404 6.413 1.00 16.37 C ATOM 1021 CD PRO A 112 20.416 8.574 7.826 1.00 12.65 C ATOM 1022 N PHE A 113 23.706 10.584 6.081 1.00 10.91 N ATOM 1023 CA PHE A 113 24.108 11.904 5.568 1.00 10.80 C ATOM 1024 C PHE A 113 24.319 11.975 4.054 1.00 13.67 C ATOM 1025 O PHE A 113 24.021 13.005 3.450 1.00 13.84 O ATOM 1026 CB PHE A 113 25.344 12.425 6.318 1.00 11.59 C ATOM 1027 CG PHE A 113 25.023 12.783 7.754 1.00 11.54 C ATOM 1028 CD1 PHE A 113 24.215 13.878 8.053 1.00 12.32 C ATOM 1029 CD2 PHE A 113 25.573 12.060 8.808 1.00 12.67 C ATOM 1030 CE1 PHE A 113 23.929 14.214 9.375 1.00 12.30 C ATOM 1031 CE2 PHE A 113 25.279 12.382 10.132 1.00 15.08 C ATOM 1032 CZ PHE A 113 24.469 13.469 10.414 1.00 12.13 C ATOM 1033 H PHE A 113 24.263 10.156 6.848 1.00 0.00 H ATOM 1034 N LYS A 114 24.783 10.890 3.435 1.00 11.84 N ATOM 1035 CA LYS A 114 25.008 10.871 1.987 1.00 13.59 C ATOM 1036 C LYS A 114 23.704 11.019 1.188 1.00 15.73 C ATOM 1037 O LYS A 114 23.737 11.487 0.048 1.00 17.11 O ATOM 1038 CB LYS A 114 25.770 9.600 1.549 1.00 17.42 C ATOM 1039 H LYS A 114 24.990 10.037 3.992 1.00 0.00 H ATOM 1040 N ASP A 115 22.563 10.636 1.790 1.00 11.92 N ATOM 1041 CA ASP A 115 21.227 10.691 1.169 1.00 10.01 C ATOM 1042 C ASP A 115 20.366 11.744 1.849 1.00 12.26 C ATOM 1043 O ASP A 115 19.143 11.597 1.896 1.00 11.22 O ATOM 1044 CB ASP A 115 20.541 9.295 1.263 1.00 10.97 C ATOM 1045 CG ASP A 115 21.136 8.291 0.307 1.00 25.05 C ATOM 1046 OD1 ASP A 115 21.357 8.652 -0.860 1.00 27.53 O ATOM 1047 OD2 ASP A 115 21.366 7.143 0.725 1.00 28.63 O ATOM 1048 H ASP A 115 22.628 10.275 2.763 1.00 0.00 H ATOM 1049 N MET A 116 21.005 12.810 2.372 1.00 7.52 N ATOM 1050 CA MET A 116 20.322 13.911 3.048 1.00 7.01 C ATOM 1051 C MET A 116 20.804 15.213 2.431 1.00 11.59 C ATOM 1052 O MET A 116 21.832 15.223 1.739 1.00 11.25 O ATOM 1053 CB MET A 116 20.647 13.902 4.563 1.00 7.89 C ATOM 1054 CG MET A 116 19.946 12.745 5.291 1.00 9.52 C ATOM 1055 SD MET A 116 20.570 12.392 6.931 1.00 11.39 S ATOM 1056 CE MET A 116 19.745 13.738 7.935 1.00 8.32 C ATOM 1057 H MET A 116 22.041 12.851 2.290 1.00 0.00 H ATOM 1058 N TRP A 117 20.108 16.328 2.714 1.00 9.01 N ATOM 1059 CA TRP A 117 20.578 17.599 2.213 1.00 9.61 C ATOM 1060 C TRP A 117 21.983 17.812 2.787 1.00 11.97 C ATOM 1061 O TRP A 117 22.225 17.476 3.939 1.00 10.04 O ATOM 1062 CB TRP A 117 19.676 18.729 2.687 1.00 9.92 C ATOM 1063 CG TRP A 117 18.436 18.875 1.871 1.00 10.42 C ATOM 1064 CD1 TRP A 117 17.225 18.293 2.110 1.00 13.10 C ATOM 1065 CD2 TRP A 117 18.259 19.727 0.742 1.00 10.42 C ATOM 1066 NE1 TRP A 117 16.312 18.707 1.171 1.00 13.49 N ATOM 1067 CE2 TRP A 117 16.926 19.572 0.305 1.00 14.08 C ATOM 1068 CE3 TRP A 117 19.110 20.609 0.040 1.00 12.38 C ATOM 1069 CZ2 TRP A 117 16.413 20.269 -0.800 1.00 14.44 C ATOM 1070 CZ3 TRP A 117 18.601 21.292 -1.061 1.00 14.35 C ATOM 1071 CH2 TRP A 117 17.278 21.105 -1.481 1.00 15.16 C ATOM 1072 HE1 TRP A 117 15.316 18.411 1.125 1.00 0.00 H ATOM 1073 H TRP A 117 19.242 16.276 3.287 1.00 0.00 H ATOM 1074 N PRO A 118 22.886 18.389 1.992 1.00 11.07 N ATOM 1075 CA PRO A 118 24.282 18.570 2.435 1.00 11.01 C ATOM 1076 C PRO A 118 24.487 19.354 3.721 1.00 11.96 C ATOM 1077 O PRO A 118 25.436 19.078 4.453 1.00 10.83 O ATOM 1078 CB PRO A 118 24.935 19.311 1.261 1.00 13.41 C ATOM 1079 CG PRO A 118 24.077 19.056 0.108 1.00 18.15 C ATOM 1080 CD PRO A 118 22.695 18.802 0.583 1.00 12.78 C ATOM 1081 N ASP A 119 23.607 20.331 4.010 1.00 8.07 N ATOM 1082 CA ASP A 119 23.757 21.151 5.217 1.00 5.75 C ATOM 1083 C ASP A 119 23.517 20.347 6.499 1.00 8.89 C ATOM 1084 O ASP A 119 23.999 20.736 7.548 1.00 7.84 O ATOM 1085 CB ASP A 119 22.801 22.331 5.188 1.00 7.33 C ATOM 1086 CG ASP A 119 21.367 21.928 4.987 1.00 11.46 C ATOM 1087 OD1 ASP A 119 21.027 21.535 3.868 1.00 13.57 O ATOM 1088 OD2 ASP A 119 20.590 21.984 5.958 1.00 11.16 O ATOM 1089 H ASP A 119 22.808 20.507 3.367 1.00 0.00 H ATOM 1090 N ASP A 120 22.774 19.228 6.419 1.00 6.55 N ATOM 1091 CA ASP A 120 22.513 18.427 7.626 1.00 6.01 C ATOM 1092 C ASP A 120 23.812 17.948 8.312 1.00 8.66 C ATOM 1093 O ASP A 120 23.877 17.901 9.527 1.00 8.64 O ATOM 1094 CB ASP A 120 21.657 17.210 7.293 1.00 6.05 C ATOM 1095 CG ASP A 120 20.227 17.568 6.940 1.00 9.83 C ATOM 1096 OD1 ASP A 120 19.848 18.739 7.114 1.00 11.06 O ATOM 1097 OD2 ASP A 120 19.520 16.698 6.411 1.00 12.93 O ATOM 1098 H ASP A 120 22.383 18.929 5.503 1.00 0.00 H ATOM 1099 N SER A 121 24.850 17.622 7.540 1.00 7.23 N ATOM 1100 CA SER A 121 26.133 17.181 8.107 1.00 7.37 C ATOM 1101 C SER A 121 26.736 18.255 9.020 1.00 11.68 C ATOM 1102 O SER A 121 27.510 17.927 9.935 1.00 10.24 O ATOM 1103 CB SER A 121 27.098 16.846 6.960 1.00 10.31 C ATOM 1104 OG SER A 121 26.601 15.679 6.318 1.00 22.96 O ATOM 1105 HG SER A 121 25.692 15.858 5.968 1.00 0.00 H ATOM 1106 H SER A 121 24.749 17.682 6.507 1.00 0.00 H ATOM 1107 N TYR A 122 26.357 19.536 8.780 1.00 7.57 N ATOM 1108 CA TYR A 122 26.856 20.684 9.539 1.00 8.66 C ATOM 1109 C TYR A 122 26.156 20.877 10.874 1.00 11.15 C ATOM 1110 O TYR A 122 26.814 21.138 11.881 1.00 12.46 O ATOM 1111 CB TYR A 122 26.773 22.000 8.715 1.00 8.84 C ATOM 1112 CG TYR A 122 27.764 22.037 7.564 1.00 14.29 C ATOM 1113 CD1 TYR A 122 27.469 21.432 6.346 1.00 15.55 C ATOM 1114 CD2 TYR A 122 29.034 22.582 7.731 1.00 18.45 C ATOM 1115 CE1 TYR A 122 28.406 21.388 5.313 1.00 17.13 C ATOM 1116 CE2 TYR A 122 29.975 22.558 6.700 1.00 20.99 C ATOM 1117 CZ TYR A 122 29.649 21.974 5.489 1.00 27.16 C ATOM 1118 OH TYR A 122 30.596 21.891 4.505 1.00 31.99 O ATOM 1119 HH TYR A 122 30.206 21.450 3.709 1.00 0.00 H ATOM 1120 H TYR A 122 25.675 19.712 8.015 1.00 0.00 H ATOM 1121 N TRP A 123 24.819 20.861 10.862 1.00 8.13 N ATOM 1122 CA TRP A 123 24.068 21.179 12.073 1.00 7.11 C ATOM 1123 C TRP A 123 23.539 19.967 12.853 1.00 11.63 C ATOM 1124 O TRP A 123 23.196 20.136 14.022 1.00 9.16 O ATOM 1125 CB TRP A 123 22.932 22.186 11.781 1.00 6.83 C ATOM 1126 CG TRP A 123 21.929 21.751 10.746 1.00 6.81 C ATOM 1127 CD1 TRP A 123 21.921 22.081 9.423 1.00 8.61 C ATOM 1128 CD2 TRP A 123 20.715 21.018 10.985 1.00 6.55 C ATOM 1129 NE1 TRP A 123 20.817 21.534 8.810 1.00 7.32 N ATOM 1130 CE2 TRP A 123 20.007 20.979 9.761 1.00 10.40 C ATOM 1131 CE3 TRP A 123 20.099 20.514 12.141 1.00 8.52 C ATOM 1132 CZ2 TRP A 123 18.759 20.348 9.636 1.00 10.90 C ATOM 1133 CZ3 TRP A 123 18.852 19.914 12.025 1.00 10.58 C ATOM 1134 CH2 TRP A 123 18.219 19.797 10.781 1.00 11.04 C ATOM 1135 HE1 TRP A 123 20.629 21.542 7.787 1.00 0.00 H ATOM 1136 H TRP A 123 24.312 20.621 9.986 1.00 0.00 H ATOM 1137 N PHE A 124 23.434 18.759 12.231 1.00 8.91 N ATOM 1138 CA PHE A 124 23.022 17.569 13.031 1.00 10.23 C ATOM 1139 C PHE A 124 23.930 17.339 14.206 1.00 13.49 C ATOM 1140 O PHE A 124 23.381 17.054 15.267 1.00 15.43 O ATOM 1141 CB PHE A 124 23.009 16.291 12.197 1.00 12.85 C ATOM 1142 CG PHE A 124 21.609 15.948 11.790 1.00 14.00 C ATOM 1143 CD1 PHE A 124 20.874 16.809 10.991 1.00 16.88 C ATOM 1144 CD2 PHE A 124 21.001 14.788 12.255 1.00 14.98 C ATOM 1145 CE1 PHE A 124 19.565 16.502 10.635 1.00 16.48 C ATOM 1146 CE2 PHE A 124 19.684 14.484 11.904 1.00 17.79 C ATOM 1147 CZ PHE A 124 18.979 15.342 11.092 1.00 15.08 C ATOM 1148 H PHE A 124 23.638 18.668 11.215 1.00 0.00 H ATOM 1149 N PRO A 125 25.277 17.464 14.093 1.00 11.56 N ATOM 1150 CA PRO A 125 26.138 17.278 15.280 1.00 10.92 C ATOM 1151 C PRO A 125 25.694 18.161 16.463 1.00 14.47 C ATOM 1152 O PRO A 125 25.766 17.737 17.627 1.00 14.66 O ATOM 1153 CB PRO A 125 27.525 17.633 14.766 1.00 13.43 C ATOM 1154 CG PRO A 125 27.487 17.268 13.314 1.00 18.29 C ATOM 1155 CD PRO A 125 26.109 17.705 12.886 1.00 14.55 C ATOM 1156 N LEU A 126 25.169 19.368 16.167 1.00 10.52 N ATOM 1157 CA LEU A 126 24.703 20.266 17.239 1.00 9.31 C ATOM 1158 C LEU A 126 23.386 19.797 17.805 1.00 9.82 C ATOM 1159 O LEU A 126 23.222 19.717 19.022 1.00 10.80 O ATOM 1160 CB LEU A 126 24.614 21.739 16.753 1.00 9.18 C ATOM 1161 CG LEU A 126 25.876 22.301 16.073 1.00 12.95 C ATOM 1162 CD1 LEU A 126 25.594 23.710 15.462 1.00 11.20 C ATOM 1163 CD2 LEU A 126 27.057 22.361 17.062 1.00 18.26 C ATOM 1164 H LEU A 126 25.092 19.667 15.174 1.00 0.00 H ATOM 1165 N LEU A 127 22.472 19.397 16.916 1.00 6.96 N ATOM 1166 CA LEU A 127 21.163 18.908 17.290 1.00 7.97 C ATOM 1167 C LEU A 127 21.330 17.675 18.197 1.00 11.96 C ATOM 1168 O LEU A 127 20.678 17.597 19.234 1.00 12.91 O ATOM 1169 CB LEU A 127 20.394 18.549 16.018 1.00 8.80 C ATOM 1170 CG LEU A 127 19.117 17.752 16.229 1.00 14.39 C ATOM 1171 CD1 LEU A 127 17.961 18.681 16.346 1.00 16.54 C ATOM 1172 CD2 LEU A 127 18.935 16.698 15.124 1.00 15.17 C ATOM 1173 H LEU A 127 22.714 19.439 15.905 1.00 0.00 H ATOM 1174 N LEU A 128 22.278 16.781 17.870 1.00 9.98 N ATOM 1175 CA LEU A 128 22.493 15.546 18.637 1.00 9.59 C ATOM 1176 C LEU A 128 23.049 15.766 20.035 1.00 14.91 C ATOM 1177 O LEU A 128 22.867 14.918 20.916 1.00 14.60 O ATOM 1178 CB LEU A 128 23.385 14.579 17.847 1.00 10.23 C ATOM 1179 CG LEU A 128 22.766 14.008 16.542 1.00 14.21 C ATOM 1180 CD1 LEU A 128 23.699 12.970 15.917 1.00 14.83 C ATOM 1181 CD2 LEU A 128 21.364 13.427 16.778 1.00 16.80 C ATOM 1182 H LEU A 128 22.881 16.970 17.044 1.00 0.00 H ATOM 1183 N GLN A 129 23.718 16.908 20.236 1.00 10.36 N ATOM 1184 CA GLN A 129 24.298 17.271 21.517 1.00 11.14 C ATOM 1185 C GLN A 129 23.437 18.294 22.268 1.00 13.41 C ATOM 1186 O GLN A 129 23.934 18.954 23.190 1.00 14.14 O ATOM 1187 CB GLN A 129 25.751 17.741 21.363 1.00 11.00 C ATOM 1188 CG GLN A 129 26.664 16.517 21.051 1.00 13.27 C ATOM 1189 CD GLN A 129 28.149 16.785 20.998 1.00 18.37 C ATOM 1190 OE1 GLN A 129 28.978 15.843 20.997 1.00 18.21 O ATOM 1191 NE2 GLN A 129 28.526 18.048 20.950 1.00 8.88 N ATOM 1192 HE22 GLN A 129 27.812 18.804 20.952 1.00 0.00 H ATOM 1193 HE21 GLN A 129 29.537 18.288 20.910 1.00 0.00 H ATOM 1194 H GLN A 129 23.827 17.566 19.438 1.00 0.00 H ATOM 1195 N LYS A 130 22.176 18.451 21.843 1.00 10.19 N ATOM 1196 CA LYS A 130 21.182 19.329 22.489 1.00 11.05 C ATOM 1197 C LYS A 130 21.590 20.797 22.454 1.00 15.08 C ATOM 1198 O LYS A 130 21.298 21.579 23.388 1.00 14.66 O ATOM 1199 CB LYS A 130 20.890 18.843 23.940 1.00 14.93 C ATOM 1200 CG LYS A 130 20.301 17.435 23.987 1.00 24.79 C ATOM 1201 H LYS A 130 21.878 17.918 21.001 1.00 0.00 H ATOM 1202 N LYS A 131 22.269 21.177 21.367 1.00 10.23 N ATOM 1203 CA LYS A 131 22.685 22.556 21.185 1.00 9.21 C ATOM 1204 C LYS A 131 21.667 23.280 20.314 1.00 13.30 C ATOM 1205 O LYS A 131 20.961 22.643 19.521 1.00 13.59 O ATOM 1206 CB LYS A 131 24.083 22.631 20.546 1.00 11.81 C ATOM 1207 CG LYS A 131 25.223 22.042 21.376 1.00 15.83 C ATOM 1208 CD LYS A 131 25.234 22.618 22.771 1.00 24.30 C ATOM 1209 CE LYS A 131 26.508 22.328 23.507 1.00 36.76 C ATOM 1210 NZ LYS A 131 26.429 22.796 24.911 1.00 35.98 N ATOM 1211 HZ1 LYS A 131 26.262 23.822 24.924 1.00 0.00 H ATOM 1212 HZ2 LYS A 131 25.646 22.310 25.394 1.00 0.00 H ATOM 1213 HZ3 LYS A 131 27.323 22.583 25.397 1.00 0.00 H ATOM 1214 H LYS A 131 22.503 20.472 20.639 1.00 0.00 H ATOM 1215 N LYS A 132 21.560 24.600 20.496 1.00 8.85 N ATOM 1216 CA LYS A 132 20.668 25.431 19.692 1.00 7.74 C ATOM 1217 C LYS A 132 21.516 26.212 18.710 1.00 10.10 C ATOM 1218 O LYS A 132 22.670 26.515 19.025 1.00 9.26 O ATOM 1219 CB LYS A 132 19.826 26.352 20.561 1.00 10.23 C ATOM 1220 CG LYS A 132 18.902 25.556 21.496 1.00 10.80 C ATOM 1221 CD LYS A 132 18.130 26.470 22.430 1.00 20.46 C ATOM 1222 CE LYS A 132 17.551 25.708 23.597 1.00 47.11 C ATOM 1223 NZ LYS A 132 18.583 25.393 24.623 1.00 66.84 N ATOM 1224 HZ1 LYS A 132 19.331 24.812 24.193 1.00 0.00 H ATOM 1225 HZ2 LYS A 132 18.993 26.278 24.983 1.00 0.00 H ATOM 1226 HZ3 LYS A 132 18.143 24.870 25.406 1.00 0.00 H ATOM 1227 H LYS A 132 22.133 25.052 21.237 1.00 0.00 H ATOM 1228 N PHE A 133 20.955 26.598 17.548 1.00 8.38 N ATOM 1229 CA PHE A 133 21.789 27.255 16.552 1.00 7.92 C ATOM 1230 C PHE A 133 21.075 28.191 15.620 1.00 11.02 C ATOM 1231 O PHE A 133 19.865 28.107 15.453 1.00 9.49 O ATOM 1232 CB PHE A 133 22.556 26.178 15.725 1.00 9.99 C ATOM 1233 CG PHE A 133 21.626 25.162 15.105 1.00 11.18 C ATOM 1234 CD1 PHE A 133 20.993 25.423 13.890 1.00 13.11 C ATOM 1235 CD2 PHE A 133 21.339 23.965 15.760 1.00 13.54 C ATOM 1236 CE1 PHE A 133 20.050 24.532 13.374 1.00 14.59 C ATOM 1237 CE2 PHE A 133 20.396 23.065 15.228 1.00 17.14 C ATOM 1238 CZ PHE A 133 19.765 23.358 14.038 1.00 14.74 C ATOM 1239 H PHE A 133 19.945 26.430 17.366 1.00 0.00 H ATOM 1240 N HIS A 134 21.852 29.071 14.988 1.00 7.59 N ATOM 1241 CA HIS A 134 21.390 29.926 13.906 1.00 7.57 C ATOM 1242 C HIS A 134 22.299 29.590 12.755 1.00 10.78 C ATOM 1243 O HIS A 134 23.523 29.639 12.906 1.00 10.78 O ATOM 1244 CB HIS A 134 21.514 31.426 14.225 1.00 8.33 C ATOM 1245 CG HIS A 134 20.398 31.965 15.069 1.00 11.59 C ATOM 1246 ND1 HIS A 134 20.316 33.311 15.368 1.00 13.87 N ATOM 1247 CD2 HIS A 134 19.347 31.322 15.635 1.00 12.46 C ATOM 1248 CE1 HIS A 134 19.266 33.437 16.162 1.00 13.42 C ATOM 1249 NE2 HIS A 134 18.624 32.279 16.316 1.00 12.91 N ATOM 1250 H HIS A 134 22.845 29.151 15.286 1.00 0.00 H ATOM 1251 N GLY A 135 21.712 29.279 11.605 1.00 7.74 N ATOM 1252 CA GLY A 135 22.497 28.962 10.421 1.00 8.70 C ATOM 1253 C GLY A 135 22.011 29.652 9.160 1.00 11.96 C ATOM 1254 O GLY A 135 20.883 30.127 9.115 1.00 9.73 O ATOM 1255 H GLY A 135 20.674 29.262 11.549 1.00 0.00 H ATOM 1256 N TYR A 136 22.912 29.781 8.155 1.00 9.79 N ATOM 1257 CA TYR A 136 22.598 30.340 6.847 1.00 9.05 C ATOM 1258 C TYR A 136 23.407 29.531 5.850 1.00 11.35 C ATOM 1259 O TYR A 136 24.610 29.428 6.031 1.00 11.46 O ATOM 1260 CB TYR A 136 22.970 31.850 6.769 1.00 12.13 C ATOM 1261 CG TYR A 136 23.199 32.327 5.351 1.00 16.99 C ATOM 1262 CD1 TYR A 136 22.133 32.602 4.509 1.00 17.60 C ATOM 1263 CD2 TYR A 136 24.483 32.419 4.826 1.00 22.00 C ATOM 1264 CE1 TYR A 136 22.339 32.991 3.183 1.00 18.51 C ATOM 1265 CE2 TYR A 136 24.700 32.806 3.510 1.00 26.14 C ATOM 1266 CZ TYR A 136 23.624 33.111 2.697 1.00 29.28 C ATOM 1267 OH TYR A 136 23.857 33.514 1.407 1.00 27.01 O ATOM 1268 HH TYR A 136 22.993 33.694 0.958 1.00 0.00 H ATOM 1269 H TYR A 136 23.886 29.461 8.329 1.00 0.00 H ATOM 1270 N PHE A 137 22.767 28.975 4.815 1.00 7.76 N ATOM 1271 CA PHE A 137 23.436 28.186 3.783 1.00 6.71 C ATOM 1272 C PHE A 137 23.034 28.721 2.426 1.00 9.94 C ATOM 1273 O PHE A 137 21.845 28.766 2.110 1.00 9.13 O ATOM 1274 CB PHE A 137 23.052 26.689 3.887 1.00 7.34 C ATOM 1275 CG PHE A 137 23.600 26.045 5.136 1.00 6.95 C ATOM 1276 CD1 PHE A 137 22.903 26.123 6.341 1.00 8.57 C ATOM 1277 CD2 PHE A 137 24.800 25.340 5.107 1.00 8.68 C ATOM 1278 CE1 PHE A 137 23.436 25.567 7.507 1.00 10.52 C ATOM 1279 CE2 PHE A 137 25.324 24.780 6.273 1.00 9.97 C ATOM 1280 CZ PHE A 137 24.625 24.875 7.455 1.00 8.38 C ATOM 1281 H PHE A 137 21.739 29.112 4.741 1.00 0.00 H ATOM 1282 N LYS A 138 24.033 29.069 1.615 1.00 8.69 N ATOM 1283 CA LYS A 138 23.836 29.541 0.240 1.00 8.24 C ATOM 1284 C LYS A 138 24.145 28.365 -0.667 1.00 10.27 C ATOM 1285 O LYS A 138 25.275 27.877 -0.671 1.00 10.17 O ATOM 1286 CB LYS A 138 24.771 30.719 -0.054 1.00 10.29 C ATOM 1287 CG LYS A 138 24.703 31.213 -1.497 1.00 14.34 C ATOM 1288 CD LYS A 138 25.667 32.380 -1.722 1.00 16.15 C ATOM 1289 CE LYS A 138 25.753 32.821 -3.161 1.00 36.30 C ATOM 1290 NZ LYS A 138 26.813 33.845 -3.412 1.00 29.81 N ATOM 1291 HZ1 LYS A 138 26.619 34.691 -2.839 1.00 0.00 H ATOM 1292 HZ2 LYS A 138 27.740 33.453 -3.151 1.00 0.00 H ATOM 1293 HZ3 LYS A 138 26.815 34.101 -4.420 1.00 0.00 H ATOM 1294 H LYS A 138 25.006 29.002 1.977 1.00 0.00 H ATOM 1295 N PHE A 139 23.152 27.919 -1.427 1.00 8.15 N ATOM 1296 CA PHE A 139 23.273 26.782 -2.351 1.00 8.05 C ATOM 1297 C PHE A 139 23.286 27.201 -3.806 1.00 13.16 C ATOM 1298 O PHE A 139 22.615 28.156 -4.181 1.00 12.52 O ATOM 1299 CB PHE A 139 22.033 25.883 -2.204 1.00 9.62 C ATOM 1300 CG PHE A 139 22.059 24.871 -1.096 1.00 10.61 C ATOM 1301 CD1 PHE A 139 21.731 25.232 0.207 1.00 12.02 C ATOM 1302 CD2 PHE A 139 22.383 23.540 -1.357 1.00 14.38 C ATOM 1303 CE1 PHE A 139 21.752 24.281 1.241 1.00 11.73 C ATOM 1304 CE2 PHE A 139 22.403 22.594 -0.323 1.00 14.69 C ATOM 1305 CZ PHE A 139 22.057 22.972 0.958 1.00 11.62 C ATOM 1306 H PHE A 139 22.234 28.403 -1.365 1.00 0.00 H ATOM 1307 N GLN A 140 23.980 26.414 -4.643 1.00 10.12 N ATOM 1308 CA GLN A 140 23.896 26.528 -6.081 1.00 12.69 C ATOM 1309 C GLN A 140 23.264 25.208 -6.487 1.00 19.28 C ATOM 1310 O GLN A 140 23.838 24.150 -6.240 1.00 19.47 O ATOM 1311 CB GLN A 140 25.255 26.792 -6.745 1.00 15.31 C ATOM 1312 CG GLN A 140 25.191 26.767 -8.286 1.00 24.66 C ATOM 1313 CD GLN A 140 26.587 26.905 -8.838 1.00 43.61 C ATOM 1314 OE1 GLN A 140 27.231 25.917 -9.217 1.00 42.24 O ATOM 1315 NE2 GLN A 140 27.130 28.116 -8.768 1.00 30.71 N ATOM 1316 HE22 GLN A 140 26.560 28.924 -8.445 1.00 0.00 H ATOM 1317 HE21 GLN A 140 28.125 28.256 -9.036 1.00 0.00 H ATOM 1318 H GLN A 140 24.607 25.689 -4.238 1.00 0.00 H ATOM 1319 N GLY A 141 22.013 25.267 -6.930 1.00 16.76 N ATOM 1320 CA GLY A 141 21.244 24.059 -7.194 1.00 17.35 C ATOM 1321 C GLY A 141 20.943 23.362 -5.871 1.00 20.38 C ATOM 1322 O GLY A 141 20.945 24.002 -4.806 1.00 19.95 O ATOM 1323 H GLY A 141 21.574 26.196 -7.092 1.00 0.00 H ATOM 1324 N GLN A 142 20.730 22.043 -5.887 1.00 16.02 N ATOM 1325 CA GLN A 142 20.400 21.379 -4.609 1.00 15.35 C ATOM 1326 C GLN A 142 21.554 20.581 -3.977 1.00 15.91 C ATOM 1327 O GLN A 142 21.373 19.959 -2.923 1.00 13.77 O ATOM 1328 CB GLN A 142 19.182 20.461 -4.802 1.00 18.25 C ATOM 1329 CG GLN A 142 17.915 21.179 -5.247 1.00 30.92 C ATOM 1330 CD GLN A 142 16.835 20.182 -5.609 1.00 51.44 C ATOM 1331 OE1 GLN A 142 16.635 19.168 -4.931 1.00 45.56 O ATOM 1332 NE2 GLN A 142 16.114 20.447 -6.693 1.00 46.61 N ATOM 1333 HE22 GLN A 142 16.303 21.307 -7.246 1.00 0.00 H ATOM 1334 HE21 GLN A 142 15.361 19.794 -6.989 1.00 0.00 H ATOM 1335 H GLN A 142 20.795 21.500 -6.772 1.00 0.00 H ATOM 1336 N ASP A 143 22.753 20.628 -4.576 1.00 11.56 N ATOM 1337 CA ASP A 143 23.853 19.788 -4.077 1.00 12.35 C ATOM 1338 C ASP A 143 25.059 20.515 -3.589 1.00 15.17 C ATOM 1339 O ASP A 143 25.890 19.895 -2.935 1.00 15.56 O ATOM 1340 CB ASP A 143 24.327 18.825 -5.183 1.00 15.90 C ATOM 1341 CG ASP A 143 23.251 17.916 -5.722 1.00 24.11 C ATOM 1342 OD1 ASP A 143 22.298 17.620 -4.974 1.00 22.06 O ATOM 1343 OD2 ASP A 143 23.369 17.496 -6.887 1.00 27.43 O ATOM 1344 H ASP A 143 22.905 21.256 -5.391 1.00 0.00 H ATOM 1345 N THR A 144 25.231 21.766 -4.002 1.00 10.40 N ATOM 1346 CA THR A 144 26.458 22.504 -3.679 1.00 10.08 C ATOM 1347 C THR A 144 26.234 23.622 -2.682 1.00 12.68 C ATOM 1348 O THR A 144 25.428 24.516 -2.936 1.00 11.24 O ATOM 1349 CB THR A 144 27.044 23.055 -4.977 1.00 16.40 C ATOM 1350 OG1 THR A 144 27.163 21.988 -5.925 1.00 16.68 O ATOM 1351 CG2 THR A 144 28.396 23.757 -4.768 1.00 14.44 C ATOM 1352 HG1 THR A 144 27.543 22.339 -6.769 1.00 0.00 H ATOM 1353 H THR A 144 24.486 22.229 -4.562 1.00 0.00 H ATOM 1354 N ILE A 145 27.006 23.616 -1.589 1.00 9.48 N ATOM 1355 CA ILE A 145 26.944 24.702 -0.618 1.00 7.95 C ATOM 1356 C ILE A 145 28.050 25.650 -1.062 1.00 12.42 C ATOM 1357 O ILE A 145 29.224 25.284 -1.008 1.00 11.67 O ATOM 1358 CB ILE A 145 27.167 24.225 0.844 1.00 9.68 C ATOM 1359 CG1 ILE A 145 26.011 23.329 1.330 1.00 10.25 C ATOM 1360 CG2 ILE A 145 27.339 25.444 1.766 1.00 9.06 C ATOM 1361 CD1 ILE A 145 26.330 22.575 2.681 1.00 10.38 C ATOM 1362 H ILE A 145 27.661 22.824 -1.430 1.00 0.00 H ATOM 1363 N LEU A 146 27.684 26.849 -1.524 1.00 8.38 N ATOM 1364 CA LEU A 146 28.701 27.833 -1.928 1.00 9.71 C ATOM 1365 C LEU A 146 29.393 28.451 -0.695 1.00 14.13 C ATOM 1366 O LEU A 146 30.613 28.652 -0.693 1.00 14.62 O ATOM 1367 CB LEU A 146 28.060 28.945 -2.767 1.00 10.80 C ATOM 1368 CG LEU A 146 27.425 28.489 -4.077 1.00 14.57 C ATOM 1369 CD1 LEU A 146 26.760 29.636 -4.737 1.00 15.18 C ATOM 1370 CD2 LEU A 146 28.453 27.869 -5.004 1.00 16.69 C ATOM 1371 H LEU A 146 26.675 27.088 -1.599 1.00 0.00 H ATOM 1372 N ASP A 147 28.604 28.782 0.336 1.00 11.52 N ATOM 1373 CA ASP A 147 29.099 29.355 1.585 1.00 11.48 C ATOM 1374 C ASP A 147 28.040 29.208 2.668 1.00 10.19 C ATOM 1375 O ASP A 147 26.889 28.902 2.387 1.00 8.86 O ATOM 1376 CB ASP A 147 29.563 30.809 1.439 1.00 15.73 C ATOM 1377 CG ASP A 147 28.527 31.786 0.954 1.00 32.54 C ATOM 1378 OD1 ASP A 147 27.662 32.171 1.758 1.00 37.14 O ATOM 1379 OD2 ASP A 147 28.670 32.279 -0.179 1.00 40.95 O ATOM 1380 H ASP A 147 27.581 28.622 0.242 1.00 0.00 H ATOM 1381 N TYR A 148 28.447 29.357 3.903 1.00 8.06 N ATOM 1382 CA TYR A 148 27.508 29.206 5.002 1.00 8.55 C ATOM 1383 C TYR A 148 28.042 29.869 6.231 1.00 12.14 C ATOM 1384 O TYR A 148 29.243 30.157 6.312 1.00 13.12 O ATOM 1385 CB TYR A 148 27.289 27.680 5.288 1.00 7.54 C ATOM 1386 CG TYR A 148 28.381 27.035 6.120 1.00 8.67 C ATOM 1387 CD1 TYR A 148 29.612 26.705 5.560 1.00 12.49 C ATOM 1388 CD2 TYR A 148 28.191 26.780 7.471 1.00 9.61 C ATOM 1389 CE1 TYR A 148 30.646 26.183 6.342 1.00 16.26 C ATOM 1390 CE2 TYR A 148 29.197 26.213 8.252 1.00 11.61 C ATOM 1391 CZ TYR A 148 30.428 25.933 7.688 1.00 16.76 C ATOM 1392 OH TYR A 148 31.420 25.399 8.478 1.00 19.14 O ATOM 1393 HH TYR A 148 31.115 24.534 8.849 1.00 0.00 H ATOM 1394 H TYR A 148 29.443 29.584 4.098 1.00 0.00 H ATOM 1395 N THR A 149 27.167 30.019 7.229 1.00 8.52 N ATOM 1396 CA THR A 149 27.543 30.417 8.577 1.00 9.09 C ATOM 1397 C THR A 149 26.711 29.553 9.493 1.00 11.91 C ATOM 1398 O THR A 149 25.590 29.188 9.140 1.00 10.38 O ATOM 1399 CB THR A 149 27.303 31.896 8.894 1.00 13.92 C ATOM 1400 OG1 THR A 149 25.913 32.216 8.788 1.00 15.52 O ATOM 1401 CG2 THR A 149 28.167 32.836 8.063 1.00 12.17 C ATOM 1402 HG1 THR A 149 25.399 31.663 9.428 1.00 0.00 H ATOM 1403 H THR A 149 26.161 29.842 7.032 1.00 0.00 H ATOM 1404 N LEU A 150 27.255 29.215 10.657 1.00 9.56 N ATOM 1405 CA LEU A 150 26.538 28.416 11.642 1.00 8.97 C ATOM 1406 C LEU A 150 27.153 28.729 12.983 1.00 15.60 C ATOM 1407 O LEU A 150 28.371 28.582 13.158 1.00 15.52 O ATOM 1408 CB LEU A 150 26.695 26.935 11.323 1.00 9.07 C ATOM 1409 CG LEU A 150 25.936 25.937 12.203 1.00 13.12 C ATOM 1410 CD1 LEU A 150 24.417 26.184 12.164 1.00 12.42 C ATOM 1411 CD2 LEU A 150 26.234 24.515 11.738 1.00 15.29 C ATOM 1412 H LEU A 150 28.222 29.530 10.872 1.00 0.00 H ATOM 1413 N ARG A 151 26.320 29.171 13.915 1.00 11.87 N ATOM 1414 CA ARG A 151 26.785 29.480 15.265 1.00 12.07 C ATOM 1415 C ARG A 151 25.811 28.961 16.293 1.00 13.63 C ATOM 1416 O ARG A 151 24.610 28.881 16.028 1.00 13.00 O ATOM 1417 CB ARG A 151 27.051 30.982 15.447 1.00 13.80 C ATOM 1418 CG ARG A 151 25.812 31.843 15.692 1.00 22.44 C ATOM 1419 CD ARG A 151 26.155 33.327 15.813 1.00 32.33 C ATOM 1420 NE ARG A 151 24.935 34.137 15.810 1.00 33.91 N ATOM 1421 CZ ARG A 151 24.308 34.547 16.908 1.00 42.14 C ATOM 1422 NH1 ARG A 151 24.800 34.260 18.106 1.00 35.20 N ATOM 1423 NH2 ARG A 151 23.192 35.263 16.815 1.00 24.95 N ATOM 1424 HE ARG A 151 24.533 34.409 14.890 1.00 0.00 H ATOM 1425 HH12 ARG A 151 24.306 34.583 18.962 1.00 0.00 H ATOM 1426 HH11 ARG A 151 25.680 33.712 18.189 1.00 0.00 H ATOM 1427 HH22 ARG A 151 22.705 35.581 17.677 1.00 0.00 H ATOM 1428 HH21 ARG A 151 22.806 35.505 15.880 1.00 0.00 H ATOM 1429 H ARG A 151 25.315 29.300 13.680 1.00 0.00 H ATOM 1430 N GLU A 152 26.328 28.586 17.460 1.00 10.16 N ATOM 1431 CA GLU A 152 25.477 28.095 18.548 1.00 10.23 C ATOM 1432 C GLU A 152 24.923 29.299 19.262 1.00 12.26 C ATOM 1433 O GLU A 152 25.587 30.338 19.331 1.00 13.18 O ATOM 1434 CB GLU A 152 26.280 27.244 19.540 1.00 12.55 C ATOM 1435 CG GLU A 152 26.688 25.930 18.942 1.00 19.85 C ATOM 1436 CD GLU A 152 27.599 25.128 19.843 1.00 27.14 C ATOM 1437 OE1 GLU A 152 27.417 25.168 21.080 1.00 21.85 O ATOM 1438 OE2 GLU A 152 28.510 24.467 19.302 1.00 29.78 O ATOM 1439 H GLU A 152 27.357 28.642 17.603 1.00 0.00 H ATOM 1440 N VAL A 153 23.706 29.166 19.778 1.00 9.02 N ATOM 1441 CA VAL A 153 23.009 30.234 20.490 1.00 8.70 C ATOM 1442 C VAL A 153 22.373 29.727 21.769 1.00 13.63 C ATOM 1443 O VAL A 153 22.086 28.538 21.872 1.00 11.84 O ATOM 1444 CB VAL A 153 21.946 30.905 19.569 1.00 11.43 C ATOM 1445 CG1 VAL A 153 22.610 31.565 18.361 1.00 9.76 C ATOM 1446 CG2 VAL A 153 20.844 29.922 19.139 1.00 11.62 C ATOM 1447 H VAL A 153 23.223 28.251 19.669 1.00 0.00 H ATOM 1448 N ASP A 154 22.084 30.651 22.713 1.00 12.02 N ATOM 1449 CA ASP A 154 21.348 30.292 23.936 1.00 12.45 C ATOM 1450 C ASP A 154 19.840 30.316 23.682 1.00 15.47 C ATOM 1451 O ASP A 154 19.101 29.538 24.293 1.00 16.22 O ATOM 1452 CB ASP A 154 21.733 31.237 25.083 1.00 15.31 C ATOM 1453 CG ASP A 154 23.180 31.035 25.519 1.00 19.78 C ATOM 1454 OD1 ASP A 154 23.668 29.885 25.449 1.00 22.35 O ATOM 1455 OD2 ASP A 154 23.803 32.012 25.956 1.00 23.54 O ATOM 1456 H ASP A 154 22.388 31.636 22.572 1.00 0.00 H ATOM 1457 N THR A 155 19.385 31.254 22.844 1.00 12.16 N ATOM 1458 CA THR A 155 17.974 31.387 22.482 1.00 12.64 C ATOM 1459 C THR A 155 17.817 31.411 20.998 1.00 13.38 C ATOM 1460 O THR A 155 18.508 32.145 20.301 1.00 14.51 O ATOM 1461 CB THR A 155 17.288 32.590 23.138 1.00 25.26 C ATOM 1462 OG1 THR A 155 17.930 33.781 22.736 1.00 24.99 O ATOM 1463 CG2 THR A 155 17.309 32.506 24.602 1.00 22.99 C ATOM 1464 HG1 THR A 155 18.880 33.752 23.014 1.00 0.00 H ATOM 1465 H THR A 155 20.067 31.921 22.430 1.00 0.00 H ATOM 1466 N VAL A 156 16.895 30.603 20.514 1.00 8.59 N ATOM 1467 CA VAL A 156 16.612 30.534 19.098 1.00 8.40 C ATOM 1468 C VAL A 156 15.913 31.821 18.644 1.00 13.77 C ATOM 1469 O VAL A 156 14.957 32.250 19.328 1.00 12.96 O ATOM 1470 CB VAL A 156 15.796 29.259 18.780 1.00 11.34 C ATOM 1471 CG1 VAL A 156 15.461 29.182 17.294 1.00 11.73 C ATOM 1472 CG2 VAL A 156 16.559 28.013 19.231 1.00 12.20 C ATOM 1473 OXT VAL A 156 16.318 32.386 17.609 1.00 20.38 O ATOM 1474 H VAL A 156 16.357 29.999 21.168 1.00 0.00 H TER 1475 VAL A 156 HETATM 1476 O HOH 1 11.707 38.484 9.805 1.00 30.94 O HETATM 1477 O HOH 2 28.580 0.388 17.566 1.00 36.35 O HETATM 1478 O HOH 3 0.066 17.977 21.920 1.00 33.39 O HETATM 1479 O HOH 4 24.192 15.595 4.830 1.00 13.47 O HETATM 1480 O HOH 5 16.724 31.873 -2.294 1.00 11.82 O HETATM 1481 O HOH 6 23.064 26.036 22.523 1.00 14.30 O HETATM 1482 O HOH 7 11.638 13.684 12.480 1.00 10.24 O HETATM 1483 O HOH 8 19.818 2.595 11.946 1.00 15.98 O HETATM 1484 O HOH 9 17.808 16.224 4.443 1.00 13.34 O HETATM 1485 O HOH 10 4.988 29.732 4.838 1.00 17.33 O HETATM 1486 O HOH 11 15.178 29.240 22.562 1.00 20.62 O HETATM 1487 O HOH 12 -1.315 22.633 14.817 1.00 15.40 O HETATM 1488 O HOH 13 6.177 33.344 5.198 1.00 11.49 O HETATM 1489 O HOH 14 11.021 29.173 16.141 1.00 28.33 O HETATM 1490 O HOH 15 27.294 15.366 17.781 1.00 15.46 O HETATM 1491 O HOH 16 5.149 29.680 17.414 1.00 15.42 O HETATM 1492 O HOH 17 4.538 24.309 8.985 1.00 14.40 O HETATM 1493 O HOH 18 26.443 13.229 19.358 1.00 25.97 O HETATM 1494 O HOH 19 12.104 31.895 -4.869 1.00 18.61 O HETATM 1495 O HOH 20 10.060 1.040 17.142 1.00 18.94 O HETATM 1496 O HOH 21 -1.192 11.887 1.284 1.00 32.06 O HETATM 1497 O HOH 22 24.602 31.935 11.205 1.00 23.69 O HETATM 1498 O HOH 23 1.727 16.475 15.366 1.00 14.52 O HETATM 1499 O HOH 24 28.031 13.052 21.593 1.00 19.43 O HETATM 1500 O HOH 25 4.563 32.090 15.450 1.00 20.60 O HETATM 1501 O HOH 26 31.822 30.239 5.434 1.00 31.17 O HETATM 1502 O HOH 27 12.676 29.764 -1.891 1.00 23.56 O HETATM 1503 O HOH 28 25.864 26.219 23.026 1.00 32.18 O HETATM 1504 O HOH 29 12.634 26.960 16.067 1.00 17.08 O HETATM 1505 O HOH 30 10.505 5.694 -0.942 1.00 16.98 O HETATM 1506 O HOH 31 15.835 5.658 21.592 1.00 20.99 O HETATM 1507 O HOH 32 20.357 27.794 -7.607 1.00 19.01 O HETATM 1508 O HOH 33 11.062 1.269 4.481 1.00 27.46 O HETATM 1509 O HOH 34 1.251 2.854 3.472 1.00 25.13 O HETATM 1510 O HOH 35 25.503 8.400 4.630 1.00 28.22 O HETATM 1511 O HOH 36 27.819 18.028 3.382 1.00 19.28 O HETATM 1512 O HOH 37 -2.666 24.564 12.721 1.00 25.30 O HETATM 1513 O HOH 38 19.775 10.976 -1.947 1.00 23.28 O HETATM 1514 O HOH 39 11.842 2.381 10.912 1.00 20.47 O HETATM 1515 O HOH 40 6.707 13.907 -1.461 1.00 24.05 O HETATM 1516 O HOH 41 -2.055 28.682 15.135 1.00 18.43 O HETATM 1517 O HOH 42 27.826 14.143 15.474 1.00 18.37 O HETATM 1518 O HOH 43 20.928 33.673 22.497 1.00 20.69 O HETATM 1519 O HOH 44 4.348 23.001 2.641 1.00 23.23 O HETATM 1520 O HOH 45 -5.553 30.877 7.050 1.00 24.06 O HETATM 1521 O HOH 46 19.932 5.766 2.723 1.00 25.20 O HETATM 1522 O HOH 47 21.598 4.087 7.866 1.00 28.07 O HETATM 1523 O HOH 48 26.329 13.748 13.306 1.00 25.00 O HETATM 1524 O HOH 49 -5.047 28.612 5.641 1.00 30.48 O HETATM 1525 O HOH 50 7.370 2.783 16.141 1.00 20.95 O HETATM 1526 O HOH 51 28.851 22.504 21.016 1.00 19.74 O HETATM 1527 O HOH 52 24.201 21.719 -7.148 1.00 21.69 O HETATM 1528 O HOH 53 -3.867 26.806 13.666 1.00 26.74 O HETATM 1529 O HOH 54 10.433 34.647 7.234 1.00 20.70 O HETATM 1530 O HOH 55 10.346 29.840 -0.382 1.00 15.68 O HETATM 1531 O HOH 56 3.157 9.862 5.811 1.00 26.44 O HETATM 1532 O HOH 57 29.134 28.569 17.579 1.00 21.15 O HETATM 1533 O HOH 58 -2.434 30.285 4.469 1.00 17.52 O HETATM 1534 O HOH 59 14.495 15.389 21.362 1.00 21.16 O HETATM 1535 O HOH 60 23.799 5.139 18.230 1.00 29.42 O HETATM 1536 O HOH 61 -1.438 13.288 5.458 1.00 26.69 O HETATM 1537 O HOH 62 18.179 18.380 20.200 1.00 28.21 O HETATM 1538 O HOH 63 19.599 13.936 21.971 1.00 36.93 O HETATM 1539 O HOH 64 32.955 28.738 0.885 1.00 26.17 O HETATM 1540 O HOH 65 22.596 35.039 13.195 1.00 35.49 O HETATM 1541 O HOH 66 1.482 27.935 19.199 1.00 26.53 O HETATM 1542 O HOH 67 18.941 20.979 20.372 1.00 24.75 O HETATM 1543 O HOH 68 21.340 13.212 -1.888 1.00 26.18 O HETATM 1544 O HOH 69 13.639 31.198 21.425 1.00 23.13 O HETATM 1545 O HOH 70 29.516 25.790 13.776 1.00 35.39 O HETATM 1546 O HOH 71 21.298 4.686 -0.897 1.00 28.81 O HETATM 1547 O HOH 72 20.818 20.645 -8.443 1.00 28.50 O HETATM 1548 O HOH 73 26.049 29.367 23.165 1.00 40.07 O HETATM 1549 O HOH 74 2.279 3.000 7.321 1.00 30.79 O HETATM 1550 O HOH 75 23.716 33.351 22.169 1.00 27.88 O HETATM 1551 O HOH 76 7.231 9.363 23.333 1.00 34.31 O HETATM 1552 O HOH 77 27.907 15.246 10.532 1.00 32.93 O HETATM 1553 O HOH 78 22.308 33.395 11.045 1.00 41.16 O HETATM 1554 O HOH 79 30.334 18.909 7.924 1.00 29.87 O HETATM 1555 O HOH 80 28.568 22.708 -8.378 1.00 31.64 O HETATM 1556 O HOH 81 12.988 16.980 23.064 1.00 32.29 O HETATM 1557 O HOH 82 12.296 6.845 -2.893 1.00 30.51 O HETATM 1558 O HOH 83 7.527 3.822 6.646 1.00 31.21 O HETATM 1559 O HOH 84 3.507 5.048 20.827 1.00 43.25 O HETATM 1560 O HOH 85 21.978 5.269 22.427 1.00 46.58 O HETATM 1561 O HOH 86 3.529 29.516 19.835 1.00 29.34 O HETATM 1562 O HOH 87 -1.409 13.328 -1.469 1.00 30.23 O HETATM 1563 O HOH 88 9.528 23.687 -0.784 1.00 39.69 O HETATM 1564 O HOH 89 21.452 27.351 -10.032 1.00 24.07 O HETATM 1565 O HOH 90 7.255 1.546 5.497 1.00 28.10 O HETATM 1566 O HOH 91 25.855 17.220 -2.420 1.00 39.42 O HETATM 1567 O HOH 92 5.811 23.123 23.370 1.00 33.17 O HETATM 1568 O HOH 93 13.204 35.506 12.930 1.00 35.79 O HETATM 1569 O HOH 94 19.782 32.454 10.621 1.00 30.39 O HETATM 1570 O HOH 95 5.939 20.390 3.073 1.00 32.61 O HETATM 1571 O HOH 96 26.242 8.482 10.009 1.00 25.18 O HETATM 1572 O HOH 97 14.451 26.656 22.786 1.00 29.59 O HETATM 1573 O HOH 98 21.421 10.076 23.621 1.00 36.15 O HETATM 1574 O HOH 99 15.864 34.539 15.931 1.00 27.21 O HETATM 1575 O HOH 100 -3.352 19.321 12.435 1.00 35.24 O HETATM 1576 O HOH 101 3.889 11.172 -5.507 1.00 44.71 O HETATM 1577 O HOH 102 27.775 17.522 -4.302 1.00 37.84 O HETATM 1578 O HOH 103 18.015 25.846 -7.378 1.00 34.90 O HETATM 1579 O HOH 104 -0.271 11.290 25.481 1.00 31.94 O HETATM 1580 O HOH 105 10.351 36.273 -1.159 1.00 38.20 O HETATM 1581 O HOH 106 30.555 24.558 10.988 1.00 31.65 O HETATM 1582 O HOH 107 16.608 2.252 14.320 1.00 32.93 O HETATM 1583 O HOH 108 10.081 16.443 24.066 1.00 25.90 O HETATM 1584 O HOH 109 1.848 23.975 4.636 1.00 28.73 O HETATM 1585 O HOH 110 13.127 19.297 1.072 1.00 32.41 O HETATM 1586 O HOH 111 22.714 25.157 -10.990 1.00 31.21 O HETATM 1587 O HOH 112 16.321 12.437 22.986 1.00 29.01 O HETATM 1588 O HOH 113 26.371 33.542 12.440 1.00 29.85 O HETATM 1589 O HOH 114 -0.010 7.539 13.599 1.00 38.02 O HETATM 1590 O HOH 115 6.644 35.333 2.959 1.00 28.98 O HETATM 1591 O HOH 116 18.125 23.662 26.783 1.00 34.75 O HETATM 1592 O HOH 117 29.491 19.155 11.322 1.00 35.79 O HETATM 1593 O HOH 118 7.741 20.652 -3.346 1.00 45.34 O HETATM 1594 O HOH 119 23.753 13.668 23.291 1.00 36.23 O HETATM 1595 O HOH 120 2.865 18.451 3.776 1.00 34.13 O HETATM 1596 O HOH 121 2.559 33.826 15.939 1.00 42.99 O HETATM 1597 O HOH 122 13.010 5.532 22.001 1.00 37.41 O HETATM 1598 O HOH 123 -4.968 29.286 10.923 1.00 44.03 O HETATM 1599 O HOH 124 6.981 19.836 -0.893 1.00 46.70 O HETATM 1600 O HOH 125 25.648 11.009 13.429 1.00 27.90 O HETATM 1601 O HOH 126 9.411 33.125 -5.667 1.00 43.95 O HETATM 1602 O HOH 127 12.616 21.888 1.293 1.00 52.62 O HETATM 1603 O HOH 128 4.549 1.321 6.358 1.00 34.24 O HETATM 1604 O HOH 129 -0.045 21.268 3.925 1.00 36.88 O HETATM 1605 O HOH 130 1.761 28.054 -1.764 1.00 45.97 O HETATM 1606 O HOH 131 12.184 31.659 17.617 1.00 29.52 O HETATM 1607 O HOH 132 1.953 14.585 -2.436 1.00 43.30 O HETATM 1608 O HOH 133 6.449 5.767 17.528 1.00 28.65 O HETATM 1609 O HOH 134 -1.248 37.032 3.601 1.00 32.20 O HETATM 1610 O HOH 135 24.615 34.928 8.287 1.00 26.06 O HETATM 1611 O HOH 136 0.584 12.333 3.279 1.00 26.78 O HETATM 1612 O HOH 137 8.441 31.363 -1.579 1.00 33.67 O HETATM 1613 O HOH 138 20.577 4.030 5.362 1.00 36.80 O HETATM 1614 O HOH 139 14.329 5.503 -1.461 1.00 44.83 O HETATM 1615 O HOH 140 24.676 15.015 1.114 1.00 28.28 O HETATM 1616 O HOH 141 -6.254 31.211 12.514 1.00 33.72 O HETATM 1617 O HOH 142 8.343 5.920 19.456 1.00 35.66 O HETATM 1618 O HOH 143 13.878 32.150 15.226 1.00 43.18 O HETATM 1619 O HOH 144 7.737 16.139 -8.597 1.00 43.77 O HETATM 1620 O HOH 145 17.766 11.074 -5.332 1.00 35.26 O HETATM 1621 O HOH 146 3.834 10.246 25.049 1.00 53.92 O HETATM 1622 O HOH 147 20.192 16.159 -5.864 1.00 45.95 O HETATM 1623 O HOH 148 14.713 35.654 7.549 1.00 43.47 O HETATM 1624 O HOH 149 10.198 17.624 4.518 1.00 43.33 O HETATM 1625 O HOH 150 19.841 12.671 -4.548 1.00 78.73 O HETATM 1626 O HOH 151 6.041 15.443 1.644 1.00 39.93 O HETATM 1627 O HOH 152 17.596 14.145 -4.197 1.00 41.65 O HETATM 1628 O HOH 153 7.684 27.583 19.993 1.00 34.23 O HETATM 1629 O HOH 154 -3.230 14.688 7.633 1.00 38.43 O HETATM 1630 O HOH 155 23.830 10.694 21.780 1.00 40.98 O HETATM 1631 O HOH 156 30.489 15.705 11.732 1.00 41.62 O HETATM 1632 O HOH 157 16.951 16.484 21.958 1.00 25.67 O HETATM 1633 O HOH 158 -3.702 19.314 8.485 1.00 32.73 O HETATM 1634 O HOH 159 7.469 22.747 1.181 1.00 70.92 O HETATM 1635 O HOH 160 -5.378 16.663 11.134 1.00 49.81 O HETATM 1636 O HOH 161 11.932 9.796 23.542 1.00 45.78 O HETATM 1637 O HOH 162 -4.097 17.043 6.598 1.00 48.30 O HETATM 1638 O HOH 163 18.005 -0.002 13.710 1.00 39.89 O HETATM 1639 O HOH 164 16.507 1.851 18.818 1.00 44.37 O HETATM 1640 O HOH 165 13.430 32.464 -10.281 1.00 32.01 O HETATM 1641 O HOH 166 14.471 1.635 15.884 1.00 41.37 O HETATM 1642 O HOH 167 21.172 37.112 2.335 1.00 22.55 O HETATM 1643 O HOH 168 0.426 18.028 18.109 1.00 23.84 O HETATM 1644 O HOH 169 11.393 34.323 11.409 1.00 32.93 O HETATM 1645 O HOH 170 8.309 35.905 8.157 1.00 29.85 O HETATM 1646 O HOH 171 31.980 28.304 3.395 1.00 33.44 O HETATM 1647 O HOH 172 30.107 33.099 4.867 1.00 63.67 O HETATM 1648 O HOH 173 14.745 34.660 -10.263 1.00 27.63 O HETATM 1649 O HOH 174 27.109 32.492 19.152 1.00 37.55 O HETATM 1650 O HOH 175 3.151 12.223 4.089 1.00 39.65 O HETATM 1651 O HOH 176 22.101 11.936 -6.922 1.00 52.20 O HETATM 1652 O10 N A 91 15.204 17.598 6.648 1.00 -0.39 O HETATM 1653 C10 N A 91 16.318 17.830 7.098 1.00 0.20 C HETATM 1654 C11 N A 91 16.923 16.975 8.171 1.00 0.03 C HETATM 1655 H1 N A 91 17.922 17.359 8.426 1.00 0.05 H HETATM 1656 H2 N A 91 17.009 15.940 7.810 1.00 0.05 H HETATM 1657 H3 N A 91 16.282 16.999 9.064 1.00 0.05 H HETATM 1658 N5 N A 91 17.090 18.887 6.687 1.00 -0.24 N HETATM 1659 C5 N A 91 16.883 19.751 5.579 1.00 0.05 C HETATM 1660 C4 N A 91 17.994 20.407 5.040 1.00 -0.04 C HETATM 1661 C9 N A 91 17.811 21.301 3.986 1.00 0.02 C HETATM 1662 N3 N A 91 18.736 22.021 3.234 1.00 -0.31 N HETATM 1663 C2 N A 91 18.005 22.676 2.368 1.00 0.10 C HETATM 1664 N1 N A 91 16.682 22.385 2.425 1.00 -0.25 N HETATM 1665 C1 N A 91 15.617 22.950 1.605 1.00 0.04 C HETATM 1666 H7 N A 91 16.055 23.596 0.830 1.00 0.06 H HETATM 1667 H8 N A 91 14.942 23.544 2.239 1.00 0.06 H HETATM 1668 H9 N A 91 15.051 22.137 1.128 1.00 0.06 H HETATM 1669 C8 N A 91 16.527 21.528 3.495 1.00 0.07 C HETATM 1670 C7 N A 91 15.411 20.879 4.012 1.00 -0.05 C HETATM 1671 C6 N A 91 15.594 20.038 5.101 1.00 -0.05 C HETATM 1672 H11 N A 91 14.732 19.598 5.588 1.00 0.05 H HETATM 1673 H10 N A 91 14.428 21.025 3.578 1.00 0.05 H HETATM 1674 H6 N A 91 18.423 23.393 1.663 1.00 0.13 H HETATM 1675 H5 N A 91 18.986 20.223 5.437 1.00 0.04 H HETATM 1676 H4 N A 91 17.903 19.073 7.239 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1652 1653 CONECT 1653 1652 1654 1658 CONECT 1654 1653 1655 1656 1657 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1654 CONECT 1658 1653 1659 1676 CONECT 1659 1658 1660 1671 CONECT 1660 1659 1661 1675 CONECT 1661 1660 1662 1669 CONECT 1662 1661 1663 CONECT 1663 1662 1664 1674 CONECT 1664 1663 1665 1669 CONECT 1665 1664 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1661 1664 1670 CONECT 1670 1669 1671 1673 CONECT 1671 1659 1670 1672 CONECT 1672 1671 CONECT 1673 1670 CONECT 1674 1663 CONECT 1675 1660 CONECT 1676 1658 MASTER 0 0 0 0 0 0 0 0 1675 1 29 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5fsm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3whw
RCSB PDB
PDBbind
156aa, >3WHW_1|Chains... at 100%
4c9w
RCSB PDB
PDBbind
158aa, >4C9W_1|Chain... at 100%
4c9x
RCSB PDB
PDBbind
158aa, >4C9X_1|Chain... at 100%
4n1t
RCSB PDB
PDBbind
159aa, >4N1T_1|Chain... at 98%
4n1u
RCSB PDB
PDBbind
158aa, >4N1U_1|Chains... at 98%
5ans
RCSB PDB
PDBbind
175aa, >5ANS_1|Chain... at 93%
5ant
RCSB PDB
PDBbind
175aa, >5ANT_1|Chains... at 93%
5anu
RCSB PDB
PDBbind
158aa, >5ANU_1|Chain... at 100%
5anv
RCSB PDB
PDBbind
158aa, >5ANV_1|Chain... at 100%
5anw
RCSB PDB
PDBbind
158aa, >5ANW_1|Chain... at 100%
5fsl
RCSB PDB
PDBbind
156aa, >5FSL_1|Chain... at 100%
5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
5ngt
RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
5nhy
RCSB PDB
PDBbind
159aa, >5NHY_1|Chains... at 98%
6f1x
RCSB PDB
PDBbind
159aa, >6F1X_1|Chains... at 98%
6f20
RCSB PDB
PDBbind
159aa, >6F20_1|Chains... at 98%
6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6f23
RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fsm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nudix pyrophosphatase MTH1
Ligand Name
N91
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
Kd>40uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Plos One Vol. 11: pp. 51154-
Ligand Properties
Formula
C
1
0
H
1
1
N
3
O
Molecular Weight
189.214
Exact Mass
189.090
No. of atoms
25
No. of bonds
26
Polar Surface Area
46.92
LOGP Value
0.62 (
Computed with XLOGP3
)
1.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CC(=O)Nc1ccc2c(c1)ncn2C
InChI String
InChI=1S/C10H11N3O/c1-7(14)12-8-3-4-10-9(5-8)11-6-13(10)2/h3-6H,1-2H3,(H,12,14)
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):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓