Browse entries in the PDBbind-CN Database
HEADER 4J59_COMPLEX COMPND 4J59_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 GLY ASN PRO LEU VAL TYR LEU ASP VAL ASP ALA ASN GLY SEQRES 2 A 164 LYS PRO LEU GLY ARG VAL VAL LEU GLU LEU LYS ALA ASP SEQRES 3 A 164 VAL VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU CYS SEQRES 4 A 164 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER THR PHE SEQRES 5 A 164 HIS ARG VAL ILE PRO SER PHE MET CYS GLN ALA GLY ASP SEQRES 6 A 164 PHE THR ASN HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 164 GLY SER ARG PHE PRO ASP GLU ASN PHE THR LEU LYS HIS SEQRES 8 A 164 VAL GLY PRO GLY VAL LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 164 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ILE LYS SEQRES 10 A 164 THR ASP TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY HIS SEQRES 11 A 164 VAL ILE GLU GLY MET ASP VAL VAL LYS LYS ILE GLU SER SEQRES 12 A 164 PHE GLY SER LYS SER GLY ARG THR SER LYS LYS ILE VAL SEQRES 13 A 164 ILE THR ASP CYS GLY GLN LEU SER HET UNN A 413 56 ATOM 1 N GLY A 44 20.678 12.811 42.939 1.00 11.30 N ATOM 2 CA GLY A 44 20.664 13.945 42.036 1.00 10.64 C ATOM 3 C GLY A 44 19.723 13.725 40.869 1.00 10.15 C ATOM 4 O GLY A 44 18.895 12.807 40.886 1.00 10.66 O ATOM 5 HN3 GLY A 44 20.989 11.963 42.424 1.00 0.00 H ATOM 6 HN2 GLY A 44 19.721 12.657 43.316 1.00 0.00 H ATOM 7 HN1 GLY A 44 21.334 13.002 43.723 1.00 0.00 H ATOM 8 N ASN A 45 19.836 14.566 39.850 1.00 9.20 N ATOM 9 CA ASN A 45 18.952 14.445 38.693 1.00 9.22 C ATOM 10 C ASN A 45 19.175 13.154 37.918 1.00 8.63 C ATOM 11 O ASN A 45 20.311 12.710 37.759 1.00 8.65 O ATOM 12 CB ASN A 45 19.108 15.653 37.774 1.00 9.30 C ATOM 13 CG ASN A 45 18.477 16.898 38.350 1.00 8.71 C ATOM 14 OD1 ASN A 45 17.550 16.820 39.164 1.00 8.81 O ATOM 15 ND2 ASN A 45 18.965 18.054 37.930 1.00 7.84 N ATOM 16 HD22 ASN A 45 19.746 18.070 37.244 1.00 0.00 H ATOM 17 HD21 ASN A 45 18.567 18.947 38.286 1.00 0.00 H ATOM 18 H ASN A 45 20.557 15.315 39.874 1.00 0.00 H ATOM 19 N PRO A 46 18.085 12.543 37.434 1.00 8.05 N ATOM 20 CA PRO A 46 18.206 11.305 36.655 1.00 8.37 C ATOM 21 C PRO A 46 19.023 11.494 35.379 1.00 7.88 C ATOM 22 O PRO A 46 18.955 12.547 34.742 1.00 8.54 O ATOM 23 CB PRO A 46 16.752 10.968 36.290 1.00 8.07 C ATOM 24 CG PRO A 46 15.922 11.684 37.312 1.00 7.82 C ATOM 25 CD PRO A 46 16.682 12.927 37.670 1.00 7.47 C ATOM 26 N LEU A 47 19.794 10.477 35.012 1.00 7.18 N ATOM 27 CA LEU A 47 20.425 10.445 33.700 1.00 6.81 C ATOM 28 C LEU A 47 19.783 9.286 32.956 1.00 5.24 C ATOM 29 O LEU A 47 19.714 8.177 33.479 1.00 4.26 O ATOM 30 CB LEU A 47 21.936 10.201 33.802 1.00 7.63 C ATOM 31 CG LEU A 47 22.947 11.269 34.244 1.00 8.22 C ATOM 32 CD1 LEU A 47 24.371 10.761 33.971 1.00 8.12 C ATOM 33 CD2 LEU A 47 22.714 12.624 33.567 1.00 8.01 C ATOM 34 H LEU A 47 19.950 9.690 35.673 1.00 0.00 H ATOM 35 N VAL A 48 19.295 9.540 31.748 1.00 4.94 N ATOM 36 CA VAL A 48 18.691 8.478 30.945 1.00 3.61 C ATOM 37 C VAL A 48 19.374 8.391 29.586 1.00 3.22 C ATOM 38 O VAL A 48 20.164 9.275 29.213 1.00 2.91 O ATOM 39 CB VAL A 48 17.155 8.672 30.796 1.00 3.46 C ATOM 40 CG1 VAL A 48 16.485 8.625 32.168 1.00 2.96 C ATOM 41 CG2 VAL A 48 16.835 9.996 30.105 1.00 2.37 C ATOM 42 H VAL A 48 19.343 10.507 31.368 1.00 0.00 H ATOM 43 N TYR A 49 19.106 7.324 28.843 1.00 2.97 N ATOM 44 CA TYR A 49 19.736 7.179 27.540 1.00 4.50 C ATOM 45 C TYR A 49 18.762 6.708 26.482 1.00 4.33 C ATOM 46 O TYR A 49 17.811 5.992 26.789 1.00 4.38 O ATOM 47 CB TYR A 49 20.921 6.211 27.599 1.00 6.32 C ATOM 48 CG TYR A 49 20.516 4.782 27.865 1.00 6.84 C ATOM 49 CD1 TYR A 49 20.262 3.896 26.817 1.00 7.38 C ATOM 50 CD2 TYR A 49 20.375 4.320 29.164 1.00 7.20 C ATOM 51 CE1 TYR A 49 19.880 2.586 27.068 1.00 8.16 C ATOM 52 CE2 TYR A 49 20.002 3.020 29.426 1.00 8.14 C ATOM 53 CZ TYR A 49 19.752 2.156 28.381 1.00 9.21 C ATOM 54 OH TYR A 49 19.375 0.862 28.675 1.00 10.81 O ATOM 55 HH TYR A 49 19.231 0.362 27.833 1.00 0.00 H ATOM 56 H TYR A 49 18.449 6.596 29.191 1.00 0.00 H ATOM 57 N LEU A 50 19.021 7.116 25.239 1.00 3.24 N ATOM 58 CA LEU A 50 18.329 6.589 24.069 1.00 3.10 C ATOM 59 C LEU A 50 19.374 6.058 23.097 1.00 3.62 C ATOM 60 O LEU A 50 20.249 6.806 22.670 1.00 3.47 O ATOM 61 CB LEU A 50 17.550 7.702 23.365 1.00 3.55 C ATOM 62 CG LEU A 50 16.664 8.617 24.218 1.00 5.12 C ATOM 63 CD1 LEU A 50 16.204 9.849 23.418 1.00 5.56 C ATOM 64 CD2 LEU A 50 15.465 7.849 24.765 1.00 5.91 C ATOM 65 H LEU A 50 19.750 7.844 25.098 1.00 0.00 H ATOM 66 N ASP A 51 19.297 4.775 22.755 1.00 4.46 N ATOM 67 CA ASP A 51 20.112 4.225 21.673 1.00 6.37 C ATOM 68 C ASP A 51 19.325 4.294 20.361 1.00 7.54 C ATOM 69 O ASP A 51 18.205 3.782 20.275 1.00 9.21 O ATOM 70 CB ASP A 51 20.531 2.781 21.983 1.00 7.39 C ATOM 71 CG ASP A 51 21.475 2.694 23.168 1.00 8.97 C ATOM 72 OD1 ASP A 51 22.191 3.686 23.433 1.00 8.70 O ATOM 73 OD2 ASP A 51 21.502 1.640 23.838 1.00 9.46 O ATOM 74 H ASP A 51 18.643 4.150 23.268 1.00 0.00 H ATOM 75 N VAL A 52 19.895 4.935 19.343 1.00 6.00 N ATOM 76 CA VAL A 52 19.126 5.233 18.136 1.00 6.29 C ATOM 77 C VAL A 52 19.693 4.597 16.865 1.00 8.02 C ATOM 78 O VAL A 52 20.884 4.721 16.587 1.00 9.29 O ATOM 79 CB VAL A 52 18.998 6.762 17.934 1.00 5.73 C ATOM 80 CG1 VAL A 52 18.074 7.076 16.757 1.00 5.26 C ATOM 81 CG2 VAL A 52 18.483 7.419 19.214 1.00 4.57 C ATOM 82 H VAL A 52 20.892 5.225 19.407 1.00 0.00 H ATOM 83 N ASP A 53 18.826 3.920 16.106 1.00 7.95 N ATOM 84 CA ASP A 53 19.150 3.407 14.773 1.00 9.76 C ATOM 85 C ASP A 53 18.717 4.380 13.681 1.00 10.89 C ATOM 86 O ASP A 53 17.747 5.123 13.844 1.00 11.63 O ATOM 87 CB ASP A 53 18.384 2.110 14.496 1.00 10.64 C ATOM 88 CG ASP A 53 19.145 0.861 14.907 1.00 10.81 C ATOM 89 OD1 ASP A 53 18.700 -0.246 14.511 1.00 9.33 O ATOM 90 OD2 ASP A 53 20.159 0.975 15.627 1.00 10.62 O ATOM 91 H ASP A 53 17.871 3.749 16.482 1.00 0.00 H ATOM 92 N ALA A 54 19.422 4.350 12.556 1.00 10.70 N ATOM 93 CA ALA A 54 18.917 4.931 11.316 1.00 10.58 C ATOM 94 C ALA A 54 19.038 3.852 10.239 1.00 11.61 C ATOM 95 O ALA A 54 20.137 3.344 9.983 1.00 10.81 O ATOM 96 CB ALA A 54 19.702 6.179 10.934 1.00 10.39 C ATOM 97 H ALA A 54 20.360 3.900 12.559 1.00 0.00 H ATOM 98 N ASN A 55 17.904 3.478 9.647 1.00 11.93 N ATOM 99 CA ASN A 55 17.859 2.391 8.669 1.00 12.69 C ATOM 100 C ASN A 55 18.589 1.117 9.118 1.00 13.58 C ATOM 101 O ASN A 55 19.413 0.560 8.377 1.00 13.92 O ATOM 102 CB ASN A 55 18.395 2.857 7.316 1.00 12.42 C ATOM 103 CG ASN A 55 17.492 3.886 6.650 1.00 12.53 C ATOM 104 OD1 ASN A 55 16.296 3.978 6.956 1.00 12.93 O ATOM 105 ND2 ASN A 55 18.058 4.655 5.727 1.00 11.06 N ATOM 106 HD22 ASN A 55 19.067 4.541 5.503 1.00 0.00 H ATOM 107 HD21 ASN A 55 17.492 5.371 5.228 1.00 0.00 H ATOM 108 H ASN A 55 17.023 3.975 9.888 1.00 0.00 H ATOM 109 N GLY A 56 18.299 0.674 10.339 1.00 13.66 N ATOM 110 CA GLY A 56 18.777 -0.612 10.812 1.00 14.69 C ATOM 111 C GLY A 56 20.215 -0.665 11.300 1.00 15.38 C ATOM 112 O GLY A 56 20.704 -1.734 11.676 1.00 15.88 O ATOM 113 H GLY A 56 17.717 1.263 10.968 1.00 0.00 H ATOM 114 N LYS A 57 20.899 0.475 11.288 1.00 14.56 N ATOM 115 CA LYS A 57 22.258 0.541 11.822 1.00 14.63 C ATOM 116 C LYS A 57 22.349 1.557 12.965 1.00 12.95 C ATOM 117 O LYS A 57 21.730 2.621 12.906 1.00 11.53 O ATOM 118 CB LYS A 57 23.270 0.858 10.713 1.00 16.20 C ATOM 119 CG LYS A 57 23.461 -0.285 9.702 1.00 17.49 C ATOM 120 CD LYS A 57 24.686 -0.071 8.818 1.00 18.36 C ATOM 121 CE LYS A 57 24.917 -1.245 7.868 1.00 18.71 C ATOM 122 NZ LYS A 57 25.800 -2.295 8.451 1.00 18.78 N ATOM 123 HZ1 LYS A 57 26.727 -1.881 8.676 1.00 0.00 H ATOM 124 HZ2 LYS A 57 25.366 -2.669 9.319 1.00 0.00 H ATOM 125 HZ3 LYS A 57 25.921 -3.065 7.763 1.00 0.00 H ATOM 126 H LYS A 57 20.461 1.332 10.893 1.00 0.00 H ATOM 127 N PRO A 58 23.112 1.221 14.016 1.00 12.46 N ATOM 128 CA PRO A 58 23.202 2.079 15.208 1.00 12.12 C ATOM 129 C PRO A 58 23.944 3.395 14.980 1.00 12.05 C ATOM 130 O PRO A 58 25.019 3.418 14.379 1.00 12.91 O ATOM 131 CB PRO A 58 23.960 1.205 16.221 1.00 12.23 C ATOM 132 CG PRO A 58 24.728 0.215 15.376 1.00 12.15 C ATOM 133 CD PRO A 58 23.857 -0.043 14.173 1.00 12.62 C ATOM 134 N LEU A 59 23.352 4.486 15.458 1.00 10.69 N ATOM 135 CA LEU A 59 23.989 5.797 15.429 1.00 9.61 C ATOM 136 C LEU A 59 24.785 6.018 16.707 1.00 9.14 C ATOM 137 O LEU A 59 25.713 6.821 16.744 1.00 9.85 O ATOM 138 CB LEU A 59 22.936 6.898 15.314 1.00 8.69 C ATOM 139 CG LEU A 59 22.100 6.933 14.041 1.00 9.10 C ATOM 140 CD1 LEU A 59 21.054 8.049 14.115 1.00 8.27 C ATOM 141 CD2 LEU A 59 23.018 7.118 12.843 1.00 9.46 C ATOM 142 H LEU A 59 22.400 4.401 15.867 1.00 0.00 H ATOM 143 N GLY A 60 24.405 5.314 17.764 1.00 8.14 N ATOM 144 CA GLY A 60 25.012 5.524 19.062 1.00 7.80 C ATOM 145 C GLY A 60 23.982 5.934 20.100 1.00 6.83 C ATOM 146 O GLY A 60 22.795 5.643 19.955 1.00 5.80 O ATOM 147 H GLY A 60 23.658 4.598 17.659 1.00 0.00 H ATOM 148 N ARG A 61 24.442 6.615 21.145 1.00 7.01 N ATOM 149 CA ARG A 61 23.621 6.857 22.325 1.00 7.15 C ATOM 150 C ARG A 61 23.544 8.339 22.678 1.00 6.39 C ATOM 151 O ARG A 61 24.562 9.029 22.702 1.00 5.65 O ATOM 152 CB ARG A 61 24.185 6.076 23.518 1.00 6.52 C ATOM 153 CG ARG A 61 23.578 6.436 24.855 1.00 6.77 C ATOM 154 CD ARG A 61 24.048 5.475 25.932 1.00 6.96 C ATOM 155 NE ARG A 61 23.538 4.122 25.708 1.00 7.32 N ATOM 156 CZ ARG A 61 23.750 3.108 26.539 1.00 8.98 C ATOM 157 NH1 ARG A 61 24.470 3.292 27.637 1.00 10.01 N ATOM 158 NH2 ARG A 61 23.247 1.911 26.277 1.00 9.97 N ATOM 159 HE ARG A 61 22.978 3.944 24.850 1.00 0.00 H ATOM 160 HH12 ARG A 61 24.637 2.499 28.289 1.00 0.00 H ATOM 161 HH11 ARG A 61 24.868 4.230 27.847 1.00 0.00 H ATOM 162 HH22 ARG A 61 23.417 1.121 26.932 1.00 0.00 H ATOM 163 HH21 ARG A 61 22.682 1.761 25.417 1.00 0.00 H ATOM 164 H ARG A 61 25.414 6.985 21.120 1.00 0.00 H ATOM 165 N VAL A 62 22.329 8.811 22.943 1.00 5.27 N ATOM 166 CA VAL A 62 22.116 10.142 23.478 1.00 5.68 C ATOM 167 C VAL A 62 21.873 9.989 24.973 1.00 6.96 C ATOM 168 O VAL A 62 21.004 9.216 25.384 1.00 6.92 O ATOM 169 CB VAL A 62 20.877 10.802 22.849 1.00 5.57 C ATOM 170 CG1 VAL A 62 20.692 12.231 23.374 1.00 5.04 C ATOM 171 CG2 VAL A 62 20.993 10.801 21.333 1.00 5.16 C ATOM 172 H VAL A 62 21.504 8.205 22.760 1.00 0.00 H ATOM 173 N VAL A 63 22.650 10.704 25.784 1.00 6.03 N ATOM 174 CA VAL A 63 22.428 10.729 27.230 1.00 5.38 C ATOM 175 C VAL A 63 21.806 12.066 27.612 1.00 5.32 C ATOM 176 O VAL A 63 22.253 13.126 27.148 1.00 5.67 O ATOM 177 CB VAL A 63 23.744 10.529 28.009 1.00 5.06 C ATOM 178 CG1 VAL A 63 23.487 10.539 29.506 1.00 5.24 C ATOM 179 CG2 VAL A 63 24.419 9.222 27.582 1.00 4.14 C ATOM 180 H VAL A 63 23.433 11.257 25.380 1.00 0.00 H ATOM 181 N LEU A 64 20.762 12.018 28.435 1.00 4.38 N ATOM 182 CA LEU A 64 20.028 13.214 28.811 1.00 3.71 C ATOM 183 C LEU A 64 19.987 13.364 30.320 1.00 4.25 C ATOM 184 O LEU A 64 19.740 12.394 31.034 1.00 4.28 O ATOM 185 CB LEU A 64 18.587 13.125 28.290 1.00 3.68 C ATOM 186 CG LEU A 64 18.413 12.945 26.780 1.00 3.38 C ATOM 187 CD1 LEU A 64 17.025 12.415 26.478 1.00 3.86 C ATOM 188 CD2 LEU A 64 18.679 14.258 26.043 1.00 2.79 C ATOM 189 H LEU A 64 20.463 11.099 28.820 1.00 0.00 H ATOM 190 N GLU A 65 20.230 14.575 30.812 1.00 4.46 N ATOM 191 CA GLU A 65 19.951 14.856 32.213 1.00 5.36 C ATOM 192 C GLU A 65 18.531 15.380 32.322 1.00 4.35 C ATOM 193 O GLU A 65 18.149 16.283 31.581 1.00 3.69 O ATOM 194 CB GLU A 65 20.919 15.891 32.791 1.00 7.11 C ATOM 195 CG GLU A 65 20.540 16.301 34.222 1.00 9.13 C ATOM 196 CD GLU A 65 21.440 17.378 34.811 1.00 10.08 C ATOM 197 OE1 GLU A 65 22.431 17.769 34.163 1.00 9.25 O ATOM 198 OE2 GLU A 65 21.146 17.837 35.938 1.00 11.82 O ATOM 199 H GLU A 65 20.618 15.319 30.198 1.00 0.00 H ATOM 200 N LEU A 66 17.748 14.810 33.236 1.00 4.17 N ATOM 201 CA LEU A 66 16.395 15.282 33.486 1.00 4.94 C ATOM 202 C LEU A 66 16.382 16.186 34.716 1.00 6.34 C ATOM 203 O LEU A 66 16.788 15.778 35.799 1.00 7.39 O ATOM 204 CB LEU A 66 15.442 14.098 33.669 1.00 4.04 C ATOM 205 CG LEU A 66 15.562 13.037 32.569 1.00 3.57 C ATOM 206 CD1 LEU A 66 14.585 11.889 32.793 1.00 4.05 C ATOM 207 CD2 LEU A 66 15.362 13.659 31.192 1.00 2.95 C ATOM 208 H LEU A 66 18.113 14.006 33.786 1.00 0.00 H ATOM 209 N LYS A 67 15.910 17.416 34.545 1.00 5.89 N ATOM 210 CA LYS A 67 16.021 18.423 35.598 1.00 5.78 C ATOM 211 C LYS A 67 14.904 18.307 36.637 1.00 6.50 C ATOM 212 O LYS A 67 14.124 19.229 36.821 1.00 6.48 O ATOM 213 CB LYS A 67 16.070 19.826 34.982 1.00 5.23 C ATOM 214 CG LYS A 67 17.410 20.155 34.317 1.00 6.56 C ATOM 215 CD LYS A 67 18.499 20.366 35.385 1.00 7.83 C ATOM 216 CE LYS A 67 19.892 20.539 34.772 1.00 8.83 C ATOM 217 NZ LYS A 67 20.971 20.635 35.816 1.00 8.90 N ATOM 218 HZ1 LYS A 67 20.786 21.454 36.430 1.00 0.00 H ATOM 219 HZ2 LYS A 67 20.977 19.766 36.388 1.00 0.00 H ATOM 220 HZ3 LYS A 67 21.893 20.751 35.350 1.00 0.00 H ATOM 221 H LYS A 67 15.453 17.667 33.645 1.00 0.00 H ATOM 222 N ALA A 68 14.860 17.162 37.317 1.00 6.83 N ATOM 223 CA ALA A 68 13.870 16.869 38.358 1.00 6.32 C ATOM 224 C ALA A 68 13.841 17.896 39.494 1.00 6.68 C ATOM 225 O ALA A 68 12.826 18.051 40.181 1.00 5.62 O ATOM 226 CB ALA A 68 14.094 15.460 38.914 1.00 5.58 C ATOM 227 H ALA A 68 15.569 16.434 37.097 1.00 0.00 H ATOM 228 N ASP A 69 14.956 18.595 39.684 1.00 7.58 N ATOM 229 CA ASP A 69 15.039 19.664 40.679 1.00 8.50 C ATOM 230 C ASP A 69 14.175 20.877 40.333 1.00 9.86 C ATOM 231 O ASP A 69 13.761 21.618 41.229 1.00 11.82 O ATOM 232 CB ASP A 69 16.493 20.098 40.903 1.00 8.68 C ATOM 233 CG ASP A 69 17.180 20.563 39.623 1.00 9.95 C ATOM 234 OD1 ASP A 69 16.761 20.174 38.510 1.00 8.34 O ATOM 235 OD2 ASP A 69 18.165 21.321 39.735 1.00 12.59 O ATOM 236 H ASP A 69 15.794 18.375 39.108 1.00 0.00 H ATOM 237 N VAL A 70 13.903 21.079 39.043 1.00 8.73 N ATOM 238 CA VAL A 70 13.050 22.178 38.586 1.00 8.06 C ATOM 239 C VAL A 70 11.660 21.681 38.188 1.00 7.67 C ATOM 240 O VAL A 70 10.652 22.347 38.441 1.00 8.39 O ATOM 241 CB VAL A 70 13.645 22.884 37.342 1.00 8.92 C ATOM 242 CG1 VAL A 70 12.864 24.151 37.024 1.00 9.03 C ATOM 243 CG2 VAL A 70 15.116 23.206 37.552 1.00 9.52 C ATOM 244 H VAL A 70 14.311 20.433 38.337 1.00 0.00 H ATOM 245 N VAL A 71 11.611 20.523 37.533 1.00 5.43 N ATOM 246 CA VAL A 71 10.353 20.018 36.987 1.00 3.97 C ATOM 247 C VAL A 71 10.188 18.539 37.312 1.00 3.12 C ATOM 248 O VAL A 71 10.263 17.695 36.425 1.00 3.24 O ATOM 249 CB VAL A 71 10.267 20.231 35.451 1.00 5.18 C ATOM 250 CG1 VAL A 71 9.725 21.621 35.122 1.00 4.88 C ATOM 251 CG2 VAL A 71 11.635 20.019 34.784 1.00 5.48 C ATOM 252 H VAL A 71 12.482 19.969 37.408 1.00 0.00 H ATOM 253 N PRO A 72 9.971 18.216 38.597 1.00 3.66 N ATOM 254 CA PRO A 72 9.994 16.807 39.014 1.00 3.90 C ATOM 255 C PRO A 72 8.969 15.926 38.307 1.00 5.10 C ATOM 256 O PRO A 72 9.275 14.777 37.966 1.00 5.05 O ATOM 257 CB PRO A 72 9.709 16.870 40.525 1.00 3.67 C ATOM 258 CG PRO A 72 9.137 18.241 40.771 1.00 3.99 C ATOM 259 CD PRO A 72 9.783 19.129 39.740 1.00 4.41 C ATOM 260 N LYS A 73 7.770 16.453 38.083 1.00 5.33 N ATOM 261 CA LYS A 73 6.709 15.652 37.482 1.00 5.84 C ATOM 262 C LYS A 73 7.011 15.316 36.018 1.00 6.40 C ATOM 263 O LYS A 73 6.797 14.180 35.566 1.00 6.63 O ATOM 264 CB LYS A 73 5.372 16.378 37.605 1.00 5.51 C ATOM 265 CG LYS A 73 4.931 16.623 39.049 1.00 6.50 C ATOM 266 CD LYS A 73 3.723 17.552 39.105 1.00 7.15 C ATOM 267 CE LYS A 73 3.212 17.736 40.528 1.00 8.92 C ATOM 268 NZ LYS A 73 4.209 18.349 41.460 1.00 9.44 N ATOM 269 HZ1 LYS A 73 5.052 17.742 41.513 1.00 0.00 H ATOM 270 HZ2 LYS A 73 4.479 19.289 41.107 1.00 0.00 H ATOM 271 HZ3 LYS A 73 3.787 18.441 42.406 1.00 0.00 H ATOM 272 H LYS A 73 7.586 17.444 38.338 1.00 0.00 H ATOM 273 N THR A 74 7.504 16.307 35.282 1.00 5.53 N ATOM 274 CA THR A 74 7.820 16.130 33.869 1.00 4.78 C ATOM 275 C THR A 74 9.029 15.204 33.733 1.00 4.42 C ATOM 276 O THR A 74 9.081 14.343 32.850 1.00 4.73 O ATOM 277 CB THR A 74 8.092 17.494 33.209 1.00 5.44 C ATOM 278 OG1 THR A 74 6.990 18.374 33.478 1.00 5.85 O ATOM 279 CG2 THR A 74 8.269 17.363 31.692 1.00 4.82 C ATOM 280 HG1 THR A 74 6.893 18.490 34.456 1.00 0.00 H ATOM 281 H THR A 74 7.669 17.233 35.725 1.00 0.00 H ATOM 282 N ALA A 75 9.988 15.363 34.636 1.00 4.31 N ATOM 283 CA ALA A 75 11.187 14.531 34.621 1.00 4.94 C ATOM 284 C ALA A 75 10.829 13.085 34.949 1.00 5.10 C ATOM 285 O ALA A 75 11.286 12.164 34.280 1.00 5.71 O ATOM 286 CB ALA A 75 12.223 15.068 35.600 1.00 4.86 C ATOM 287 H ALA A 75 9.883 16.094 35.368 1.00 0.00 H ATOM 288 N GLU A 76 9.995 12.892 35.966 1.00 4.46 N ATOM 289 CA GLU A 76 9.592 11.541 36.363 1.00 5.03 C ATOM 290 C GLU A 76 8.865 10.804 35.231 1.00 5.63 C ATOM 291 O GLU A 76 9.092 9.619 34.996 1.00 5.69 O ATOM 292 CB GLU A 76 8.747 11.583 37.645 1.00 5.51 C ATOM 293 CG GLU A 76 8.144 10.237 38.089 1.00 5.61 C ATOM 294 CD GLU A 76 9.168 9.120 38.285 1.00 6.33 C ATOM 295 OE1 GLU A 76 10.386 9.393 38.406 1.00 5.55 O ATOM 296 OE2 GLU A 76 8.740 7.946 38.319 1.00 7.02 O ATOM 297 H GLU A 76 9.623 13.712 36.487 1.00 0.00 H ATOM 298 N ASN A 77 8.006 11.517 34.514 1.00 4.73 N ATOM 299 CA ASN A 77 7.363 10.942 33.343 1.00 3.89 C ATOM 300 C ASN A 77 8.373 10.425 32.298 1.00 3.44 C ATOM 301 O ASN A 77 8.307 9.271 31.876 1.00 2.47 O ATOM 302 CB ASN A 77 6.410 11.971 32.731 1.00 3.71 C ATOM 303 CG ASN A 77 5.663 11.425 31.545 1.00 4.66 C ATOM 304 OD1 ASN A 77 4.930 10.440 31.663 1.00 5.29 O ATOM 305 ND2 ASN A 77 5.833 12.068 30.387 1.00 3.58 N ATOM 306 HD22 ASN A 77 6.462 12.894 30.339 1.00 0.00 H ATOM 307 HD21 ASN A 77 5.336 11.742 29.534 1.00 0.00 H ATOM 308 H ASN A 77 7.791 12.496 34.792 1.00 0.00 H ATOM 309 N PHE A 78 9.305 11.278 31.883 1.00 4.26 N ATOM 310 CA PHE A 78 10.308 10.878 30.896 1.00 4.30 C ATOM 311 C PHE A 78 11.176 9.717 31.400 1.00 4.22 C ATOM 312 O PHE A 78 11.474 8.794 30.645 1.00 3.26 O ATOM 313 CB PHE A 78 11.180 12.068 30.502 1.00 4.41 C ATOM 314 CG PHE A 78 11.929 11.877 29.206 1.00 4.93 C ATOM 315 CD1 PHE A 78 11.343 12.220 27.996 1.00 4.89 C ATOM 316 CD2 PHE A 78 13.221 11.366 29.201 1.00 5.85 C ATOM 317 CE1 PHE A 78 12.016 12.051 26.808 1.00 5.02 C ATOM 318 CE2 PHE A 78 13.912 11.196 28.004 1.00 5.63 C ATOM 319 CZ PHE A 78 13.311 11.542 26.809 1.00 5.38 C ATOM 320 H PHE A 78 9.321 12.245 32.266 1.00 0.00 H ATOM 321 N ARG A 79 11.559 9.765 32.676 1.00 4.27 N ATOM 322 CA ARG A 79 12.343 8.695 33.300 1.00 4.41 C ATOM 323 C ARG A 79 11.659 7.332 33.167 1.00 5.65 C ATOM 324 O ARG A 79 12.241 6.382 32.636 1.00 6.36 O ATOM 325 CB ARG A 79 12.602 9.007 34.781 1.00 4.55 C ATOM 326 CG ARG A 79 13.648 8.094 35.448 1.00 5.01 C ATOM 327 CD ARG A 79 13.470 8.059 36.969 1.00 5.55 C ATOM 328 NE ARG A 79 12.125 7.598 37.316 1.00 5.10 N ATOM 329 CZ ARG A 79 11.763 6.319 37.343 1.00 5.84 C ATOM 330 NH1 ARG A 79 12.647 5.369 37.046 1.00 5.47 N ATOM 331 NH2 ARG A 79 10.517 5.989 37.655 1.00 5.67 N ATOM 332 HE ARG A 79 11.410 8.314 37.556 1.00 0.00 H ATOM 333 HH12 ARG A 79 12.363 4.369 37.067 1.00 0.00 H ATOM 334 HH11 ARG A 79 13.622 5.627 36.792 1.00 0.00 H ATOM 335 HH22 ARG A 79 10.234 4.989 37.676 1.00 0.00 H ATOM 336 HH21 ARG A 79 9.823 6.731 37.879 1.00 0.00 H ATOM 337 H ARG A 79 11.292 10.591 33.249 1.00 0.00 H ATOM 338 N ALA A 80 10.418 7.239 33.641 1.00 6.40 N ATOM 339 CA ALA A 80 9.674 5.976 33.603 1.00 5.82 C ATOM 340 C ALA A 80 9.392 5.477 32.180 1.00 5.04 C ATOM 341 O ALA A 80 9.386 4.263 31.935 1.00 5.03 O ATOM 342 CB ALA A 80 8.379 6.094 34.390 1.00 5.79 C ATOM 343 H ALA A 80 9.966 8.082 34.048 1.00 0.00 H ATOM 344 N LEU A 81 9.157 6.400 31.247 1.00 4.24 N ATOM 345 CA LEU A 81 8.955 6.011 29.848 1.00 3.55 C ATOM 346 C LEU A 81 10.250 5.475 29.229 1.00 4.46 C ATOM 347 O LEU A 81 10.212 4.640 28.325 1.00 3.79 O ATOM 348 CB LEU A 81 8.390 7.174 29.019 1.00 2.95 C ATOM 349 CG LEU A 81 7.016 7.697 29.455 1.00 3.13 C ATOM 350 CD1 LEU A 81 6.607 8.935 28.650 1.00 3.12 C ATOM 351 CD2 LEU A 81 5.960 6.590 29.333 1.00 3.59 C ATOM 352 H LEU A 81 9.117 7.404 31.514 1.00 0.00 H ATOM 353 N CYS A 82 11.395 5.948 29.718 1.00 4.35 N ATOM 354 CA CYS A 82 12.675 5.419 29.258 1.00 3.67 C ATOM 355 C CYS A 82 12.921 3.991 29.781 1.00 4.24 C ATOM 356 O CYS A 82 13.349 3.122 29.021 1.00 4.50 O ATOM 357 CB CYS A 82 13.837 6.344 29.636 1.00 3.42 C ATOM 358 SG CYS A 82 13.998 7.842 28.604 1.00 6.31 S ATOM 359 H CYS A 82 11.377 6.702 30.435 1.00 0.00 H ATOM 360 N THR A 83 12.643 3.745 31.061 1.00 3.59 N ATOM 361 CA THR A 83 12.826 2.407 31.620 1.00 4.42 C ATOM 362 C THR A 83 11.743 1.447 31.142 1.00 5.54 C ATOM 363 O THR A 83 11.967 0.237 31.069 1.00 6.55 O ATOM 364 CB THR A 83 12.772 2.404 33.155 1.00 4.82 C ATOM 365 OG1 THR A 83 11.435 2.701 33.574 1.00 4.81 O ATOM 366 CG2 THR A 83 13.746 3.423 33.744 1.00 4.68 C ATOM 367 HG1 THR A 83 11.393 2.701 34.563 1.00 0.00 H ATOM 368 H THR A 83 12.292 4.513 31.668 1.00 0.00 H ATOM 369 N GLY A 84 10.565 1.991 30.837 1.00 5.13 N ATOM 370 CA GLY A 84 9.424 1.187 30.430 1.00 5.92 C ATOM 371 C GLY A 84 8.744 0.481 31.591 1.00 6.97 C ATOM 372 O GLY A 84 7.944 -0.436 31.382 1.00 6.65 O ATOM 373 H GLY A 84 10.459 3.024 30.892 1.00 0.00 H ATOM 374 N GLU A 85 9.046 0.913 32.815 1.00 7.72 N ATOM 375 CA GLU A 85 8.588 0.205 34.017 1.00 8.62 C ATOM 376 C GLU A 85 7.069 0.184 34.227 1.00 9.54 C ATOM 377 O GLU A 85 6.577 -0.616 35.021 1.00 9.69 O ATOM 378 CB GLU A 85 9.293 0.738 35.274 1.00 8.89 C ATOM 379 CG GLU A 85 8.910 2.150 35.688 1.00 8.34 C ATOM 380 CD GLU A 85 9.910 2.761 36.660 1.00 8.85 C ATOM 381 OE1 GLU A 85 11.103 2.894 36.291 1.00 7.69 O ATOM 382 OE2 GLU A 85 9.510 3.103 37.799 1.00 9.28 O ATOM 383 H GLU A 85 9.621 1.773 32.921 1.00 0.00 H ATOM 384 N LYS A 86 6.329 1.052 33.534 1.00 9.36 N ATOM 385 CA LYS A 86 4.865 1.051 33.647 1.00 10.16 C ATOM 386 C LYS A 86 4.181 0.116 32.650 1.00 10.34 C ATOM 387 O LYS A 86 2.960 0.016 32.636 1.00 10.95 O ATOM 388 CB LYS A 86 4.277 2.456 33.489 1.00 10.24 C ATOM 389 CG LYS A 86 4.878 3.505 34.408 1.00 9.99 C ATOM 390 CD LYS A 86 4.623 3.190 35.861 1.00 10.35 C ATOM 391 CE LYS A 86 5.185 4.292 36.746 1.00 10.83 C ATOM 392 NZ LYS A 86 4.980 3.999 38.191 1.00 10.69 N ATOM 393 HZ1 LYS A 86 3.962 3.911 38.385 1.00 0.00 H ATOM 394 HZ2 LYS A 86 5.458 3.108 38.434 1.00 0.00 H ATOM 395 HZ3 LYS A 86 5.377 4.774 38.760 1.00 0.00 H ATOM 396 H LYS A 86 6.795 1.738 32.906 1.00 0.00 H ATOM 397 N GLY A 87 4.957 -0.565 31.816 1.00 9.97 N ATOM 398 CA GLY A 87 4.375 -1.457 30.832 1.00 9.84 C ATOM 399 C GLY A 87 4.370 -0.881 29.426 1.00 9.54 C ATOM 400 O GLY A 87 3.988 -1.564 28.471 1.00 8.92 O ATOM 401 H GLY A 87 5.990 -0.458 31.869 1.00 0.00 H ATOM 402 N PHE A 88 4.809 0.370 29.308 1.00 9.07 N ATOM 403 CA PHE A 88 4.876 1.074 28.026 1.00 8.28 C ATOM 404 C PHE A 88 5.954 2.154 28.076 1.00 7.58 C ATOM 405 O PHE A 88 6.447 2.504 29.151 1.00 7.26 O ATOM 406 CB PHE A 88 3.515 1.684 27.662 1.00 8.22 C ATOM 407 CG PHE A 88 2.912 2.528 28.751 1.00 8.59 C ATOM 408 CD1 PHE A 88 3.205 3.880 28.840 1.00 8.57 C ATOM 409 CD2 PHE A 88 2.041 1.972 29.680 1.00 8.91 C ATOM 410 CE1 PHE A 88 2.655 4.663 29.840 1.00 8.92 C ATOM 411 CE2 PHE A 88 1.484 2.755 30.689 1.00 9.43 C ATOM 412 CZ PHE A 88 1.795 4.105 30.766 1.00 9.25 C ATOM 413 H PHE A 88 5.119 0.870 30.166 1.00 0.00 H ATOM 414 N GLY A 89 6.329 2.684 26.915 1.00 7.25 N ATOM 415 CA GLY A 89 7.359 3.707 26.867 1.00 7.99 C ATOM 416 C GLY A 89 8.038 3.809 25.514 1.00 7.25 C ATOM 417 O GLY A 89 7.524 3.300 24.516 1.00 6.02 O ATOM 418 H GLY A 89 5.880 2.363 26.033 1.00 0.00 H ATOM 419 N TYR A 90 9.214 4.435 25.493 1.00 6.85 N ATOM 420 CA TYR A 90 9.828 4.872 24.245 1.00 7.19 C ATOM 421 C TYR A 90 10.465 3.773 23.401 1.00 8.78 C ATOM 422 O TYR A 90 10.660 3.968 22.201 1.00 8.25 O ATOM 423 CB TYR A 90 10.866 5.968 24.507 1.00 7.10 C ATOM 424 CG TYR A 90 10.294 7.267 25.047 1.00 7.36 C ATOM 425 CD1 TYR A 90 9.238 7.912 24.404 1.00 7.36 C ATOM 426 CD2 TYR A 90 10.812 7.845 26.198 1.00 6.63 C ATOM 427 CE1 TYR A 90 8.720 9.098 24.900 1.00 6.91 C ATOM 428 CE2 TYR A 90 10.303 9.024 26.702 1.00 6.32 C ATOM 429 CZ TYR A 90 9.258 9.648 26.051 1.00 6.70 C ATOM 430 OH TYR A 90 8.749 10.831 26.555 1.00 6.31 O ATOM 431 HH TYR A 90 8.010 11.144 25.975 1.00 0.00 H ATOM 432 H TYR A 90 9.707 4.617 26.391 1.00 0.00 H ATOM 433 N LYS A 91 10.814 2.644 24.019 1.00 10.26 N ATOM 434 CA LYS A 91 11.512 1.576 23.306 1.00 10.09 C ATOM 435 C LYS A 91 10.739 1.197 22.051 1.00 11.02 C ATOM 436 O LYS A 91 9.546 0.890 22.126 1.00 11.09 O ATOM 437 CB LYS A 91 11.699 0.344 24.194 1.00 10.26 C ATOM 438 CG LYS A 91 12.463 -0.802 23.517 1.00 10.90 C ATOM 439 CD LYS A 91 12.433 -2.066 24.370 1.00 11.77 C ATOM 440 CE LYS A 91 13.391 -3.138 23.854 1.00 12.80 C ATOM 441 NZ LYS A 91 14.818 -2.799 24.126 1.00 13.43 N ATOM 442 HZ1 LYS A 91 15.055 -1.901 23.658 1.00 0.00 H ATOM 443 HZ2 LYS A 91 14.961 -2.705 25.152 1.00 0.00 H ATOM 444 HZ3 LYS A 91 15.429 -3.556 23.758 1.00 0.00 H ATOM 445 H LYS A 91 10.585 2.521 25.026 1.00 0.00 H ATOM 446 N GLY A 92 11.413 1.243 20.904 1.00 11.10 N ATOM 447 CA GLY A 92 10.796 0.883 19.640 1.00 12.19 C ATOM 448 C GLY A 92 10.097 2.008 18.887 1.00 14.21 C ATOM 449 O GLY A 92 9.724 1.831 17.723 1.00 16.13 O ATOM 450 H GLY A 92 12.408 1.545 20.914 1.00 0.00 H ATOM 451 N SER A 93 9.914 3.164 19.524 1.00 12.98 N ATOM 452 CA SER A 93 9.265 4.287 18.847 1.00 12.95 C ATOM 453 C SER A 93 10.255 5.050 17.961 1.00 13.16 C ATOM 454 O SER A 93 11.446 4.720 17.926 1.00 13.09 O ATOM 455 CB SER A 93 8.582 5.227 19.847 1.00 12.89 C ATOM 456 OG SER A 93 9.515 5.829 20.726 1.00 12.62 O ATOM 457 HG SER A 93 9.989 5.125 21.235 1.00 0.00 H ATOM 458 H SER A 93 10.234 3.269 20.508 1.00 0.00 H ATOM 459 N THR A 94 9.760 6.058 17.243 1.00 12.09 N ATOM 460 CA THR A 94 10.562 6.741 16.225 1.00 11.18 C ATOM 461 C THR A 94 10.693 8.247 16.443 1.00 10.45 C ATOM 462 O THR A 94 9.890 8.859 17.161 1.00 10.28 O ATOM 463 CB THR A 94 9.943 6.557 14.820 1.00 10.89 C ATOM 464 OG1 THR A 94 8.680 7.240 14.755 1.00 11.16 O ATOM 465 CG2 THR A 94 9.738 5.083 14.506 1.00 10.58 C ATOM 466 HG1 THR A 94 8.287 7.120 13.854 1.00 0.00 H ATOM 467 H THR A 94 8.781 6.367 17.409 1.00 0.00 H ATOM 468 N PHE A 95 11.713 8.837 15.820 1.00 8.84 N ATOM 469 CA PHE A 95 11.702 10.269 15.540 1.00 8.00 C ATOM 470 C PHE A 95 10.881 10.501 14.263 1.00 9.04 C ATOM 471 O PHE A 95 11.332 10.188 13.153 1.00 9.93 O ATOM 472 CB PHE A 95 13.123 10.825 15.379 1.00 7.50 C ATOM 473 CG PHE A 95 13.884 10.932 16.670 1.00 6.83 C ATOM 474 CD1 PHE A 95 14.393 9.798 17.286 1.00 7.13 C ATOM 475 CD2 PHE A 95 14.091 12.169 17.271 1.00 7.01 C ATOM 476 CE1 PHE A 95 15.093 9.893 18.480 1.00 7.33 C ATOM 477 CE2 PHE A 95 14.793 12.273 18.466 1.00 6.60 C ATOM 478 CZ PHE A 95 15.291 11.136 19.074 1.00 6.58 C ATOM 479 H PHE A 95 12.532 8.266 15.528 1.00 0.00 H ATOM 480 N HIS A 96 9.679 11.050 14.421 1.00 7.62 N ATOM 481 CA HIS A 96 8.766 11.208 13.290 1.00 7.16 C ATOM 482 C HIS A 96 8.863 12.578 12.604 1.00 5.81 C ATOM 483 O HIS A 96 8.524 12.705 11.431 1.00 5.05 O ATOM 484 CB HIS A 96 7.327 10.959 13.738 1.00 6.81 C ATOM 485 CG HIS A 96 6.839 11.949 14.747 1.00 6.51 C ATOM 486 ND1 HIS A 96 7.080 11.815 16.100 1.00 6.59 N ATOM 487 CD2 HIS A 96 6.148 13.104 14.601 1.00 5.05 C ATOM 488 CE1 HIS A 96 6.548 12.842 16.741 1.00 5.57 C ATOM 489 NE2 HIS A 96 5.976 13.638 15.854 1.00 4.13 N ATOM 490 H HIS A 96 9.384 11.372 15.365 1.00 0.00 H ATOM 491 N ARG A 97 9.303 13.600 13.333 1.00 5.68 N ATOM 492 CA ARG A 97 9.487 14.920 12.729 1.00 7.16 C ATOM 493 C ARG A 97 10.875 15.474 13.034 1.00 8.49 C ATOM 494 O ARG A 97 11.210 15.712 14.193 1.00 8.88 O ATOM 495 CB ARG A 97 8.423 15.919 13.199 1.00 7.65 C ATOM 496 CG ARG A 97 8.577 17.309 12.557 1.00 8.39 C ATOM 497 CD ARG A 97 7.687 18.360 13.209 1.00 9.27 C ATOM 498 NE ARG A 97 6.357 18.423 12.605 1.00 9.77 N ATOM 499 CZ ARG A 97 5.222 18.526 13.295 1.00 9.18 C ATOM 500 NH1 ARG A 97 4.058 18.579 12.651 1.00 8.19 N ATOM 501 NH2 ARG A 97 5.251 18.580 14.624 1.00 8.38 N ATOM 502 HE ARG A 97 6.293 18.385 11.568 1.00 0.00 H ATOM 503 HH12 ARG A 97 3.170 18.659 13.187 1.00 0.00 H ATOM 504 HH11 ARG A 97 4.036 18.540 11.612 1.00 0.00 H ATOM 505 HH22 ARG A 97 4.364 18.660 15.161 1.00 0.00 H ATOM 506 HH21 ARG A 97 6.161 18.542 15.126 1.00 0.00 H ATOM 507 H ARG A 97 9.518 13.460 14.341 1.00 0.00 H ATOM 508 N VAL A 98 11.669 15.688 11.988 1.00 8.12 N ATOM 509 CA VAL A 98 13.025 16.202 12.146 1.00 8.47 C ATOM 510 C VAL A 98 13.243 17.346 11.162 1.00 8.11 C ATOM 511 O VAL A 98 13.058 17.178 9.956 1.00 8.84 O ATOM 512 CB VAL A 98 14.086 15.090 11.922 1.00 5.77 C ATOM 513 CG1 VAL A 98 15.504 15.651 12.044 1.00 5.46 C ATOM 514 CG2 VAL A 98 13.879 13.943 12.907 1.00 5.91 C ATOM 515 H VAL A 98 11.313 15.483 11.032 1.00 0.00 H ATOM 516 N ILE A 99 13.615 18.512 11.681 1.00 7.78 N ATOM 517 CA ILE A 99 13.779 19.711 10.858 1.00 7.33 C ATOM 518 C ILE A 99 15.154 20.332 11.087 1.00 8.06 C ATOM 519 O ILE A 99 15.427 20.838 12.171 1.00 7.95 O ATOM 520 CB ILE A 99 12.666 20.742 11.171 1.00 6.05 C ATOM 521 CG1 ILE A 99 11.296 20.155 10.811 1.00 6.06 C ATOM 522 CG2 ILE A 99 12.886 22.041 10.418 1.00 5.51 C ATOM 523 CD1 ILE A 99 10.121 20.984 11.289 1.00 5.51 C ATOM 524 H ILE A 99 13.795 18.574 12.703 1.00 0.00 H ATOM 525 N PRO A 100 16.031 20.281 10.064 1.00 10.00 N ATOM 526 CA PRO A 100 17.406 20.796 10.177 1.00 10.37 C ATOM 527 C PRO A 100 17.428 22.268 10.592 1.00 10.52 C ATOM 528 O PRO A 100 16.615 23.049 10.091 1.00 10.91 O ATOM 529 CB PRO A 100 17.966 20.623 8.760 1.00 10.97 C ATOM 530 CG PRO A 100 17.139 19.536 8.158 1.00 11.05 C ATOM 531 CD PRO A 100 15.764 19.721 8.727 1.00 10.44 C ATOM 532 N SER A 101 18.340 22.622 11.497 1.00 10.00 N ATOM 533 CA SER A 101 18.413 23.961 12.091 1.00 10.71 C ATOM 534 C SER A 101 17.185 24.297 12.931 1.00 9.61 C ATOM 535 O SER A 101 16.792 25.458 13.025 1.00 8.97 O ATOM 536 CB SER A 101 18.620 25.053 11.030 1.00 11.98 C ATOM 537 OG SER A 101 19.776 24.803 10.256 1.00 13.82 O ATOM 538 HG SER A 101 20.570 24.783 10.847 1.00 0.00 H ATOM 539 H SER A 101 19.037 21.911 11.798 1.00 0.00 H ATOM 540 N PHE A 102 16.569 23.281 13.526 1.00 7.87 N ATOM 541 CA PHE A 102 15.460 23.516 14.439 1.00 6.76 C ATOM 542 C PHE A 102 15.497 22.446 15.541 1.00 6.32 C ATOM 543 O PHE A 102 16.006 22.712 16.640 1.00 6.22 O ATOM 544 CB PHE A 102 14.130 23.564 13.658 1.00 6.93 C ATOM 545 CG PHE A 102 12.898 23.849 14.504 1.00 8.07 C ATOM 546 CD1 PHE A 102 12.996 24.275 15.822 1.00 8.65 C ATOM 547 CD2 PHE A 102 11.624 23.690 13.953 1.00 8.33 C ATOM 548 CE1 PHE A 102 11.852 24.522 16.580 1.00 8.63 C ATOM 549 CE2 PHE A 102 10.474 23.939 14.701 1.00 8.31 C ATOM 550 CZ PHE A 102 10.583 24.353 16.013 1.00 8.05 C ATOM 551 H PHE A 102 16.883 22.308 13.337 1.00 0.00 H ATOM 552 N MET A 103 15.000 21.245 15.249 1.00 5.22 N ATOM 553 CA MET A 103 14.870 20.216 16.289 1.00 5.06 C ATOM 554 C MET A 103 14.553 18.816 15.755 1.00 4.58 C ATOM 555 O MET A 103 14.232 18.642 14.579 1.00 4.73 O ATOM 556 CB MET A 103 13.816 20.636 17.332 1.00 4.09 C ATOM 557 CG MET A 103 12.400 20.838 16.779 1.00 3.19 C ATOM 558 SD MET A 103 11.465 19.301 16.593 1.00 7.98 S ATOM 559 CE MET A 103 10.886 19.449 14.896 1.00 5.16 C ATOM 560 H MET A 103 14.701 21.034 14.275 1.00 0.00 H ATOM 561 N CYS A 104 14.633 17.825 16.640 1.00 4.80 N ATOM 562 CA CYS A 104 14.274 16.450 16.304 1.00 4.43 C ATOM 563 C CYS A 104 13.192 15.993 17.283 1.00 5.01 C ATOM 564 O CYS A 104 13.420 15.978 18.488 1.00 5.10 O ATOM 565 CB CYS A 104 15.481 15.511 16.441 1.00 3.07 C ATOM 566 SG CYS A 104 17.042 16.052 15.685 1.00 7.66 S ATOM 567 H CYS A 104 14.962 18.037 17.603 1.00 0.00 H ATOM 568 N GLN A 105 12.038 15.587 16.760 1.00 5.34 N ATOM 569 CA GLN A 105 10.877 15.258 17.583 1.00 5.29 C ATOM 570 C GLN A 105 10.584 13.752 17.590 1.00 6.57 C ATOM 571 O GLN A 105 10.651 13.094 16.547 1.00 6.51 O ATOM 572 CB GLN A 105 9.665 16.033 17.064 1.00 5.96 C ATOM 573 CG GLN A 105 8.439 15.983 17.960 1.00 6.11 C ATOM 574 CD GLN A 105 7.304 16.820 17.430 1.00 6.11 C ATOM 575 OE1 GLN A 105 7.507 17.743 16.636 1.00 7.30 O ATOM 576 NE2 GLN A 105 6.095 16.502 17.858 1.00 6.04 N ATOM 577 HE22 GLN A 105 5.970 15.716 18.528 1.00 0.00 H ATOM 578 HE21 GLN A 105 5.268 17.038 17.525 1.00 0.00 H ATOM 579 H GLN A 105 11.960 15.501 15.727 1.00 0.00 H ATOM 580 N ALA A 106 10.252 13.209 18.763 1.00 6.15 N ATOM 581 CA ALA A 106 10.011 11.774 18.895 1.00 5.46 C ATOM 582 C ALA A 106 8.942 11.470 19.936 1.00 5.20 C ATOM 583 O ALA A 106 8.339 12.380 20.511 1.00 4.58 O ATOM 584 CB ALA A 106 11.306 11.061 19.264 1.00 5.44 C ATOM 585 H ALA A 106 10.163 13.820 19.600 1.00 0.00 H ATOM 586 N GLY A 107 8.704 10.184 20.172 1.00 5.49 N ATOM 587 CA GLY A 107 7.975 9.766 21.357 1.00 5.87 C ATOM 588 C GLY A 107 6.517 9.377 21.215 1.00 6.67 C ATOM 589 O GLY A 107 5.845 9.197 22.230 1.00 7.68 O ATOM 590 H GLY A 107 9.044 9.467 19.499 1.00 0.00 H ATOM 591 N ASP A 108 6.013 9.249 19.987 1.00 6.99 N ATOM 592 CA ASP A 108 4.634 8.788 19.802 1.00 9.57 C ATOM 593 C ASP A 108 4.605 7.264 19.718 1.00 11.05 C ATOM 594 O ASP A 108 4.631 6.697 18.621 1.00 12.16 O ATOM 595 CB ASP A 108 3.988 9.399 18.549 1.00 10.70 C ATOM 596 CG ASP A 108 2.529 8.963 18.362 1.00 11.23 C ATOM 597 OD1 ASP A 108 2.036 8.123 19.140 1.00 11.96 O ATOM 598 OD2 ASP A 108 1.863 9.456 17.428 1.00 11.15 O ATOM 599 H ASP A 108 6.600 9.477 19.159 1.00 0.00 H ATOM 600 N PHE A 109 4.540 6.602 20.870 1.00 11.60 N ATOM 601 CA PHE A 109 4.553 5.143 20.892 1.00 12.56 C ATOM 602 C PHE A 109 3.157 4.528 20.825 1.00 15.53 C ATOM 603 O PHE A 109 3.022 3.306 20.823 1.00 17.09 O ATOM 604 CB PHE A 109 5.332 4.597 22.102 1.00 11.13 C ATOM 605 CG PHE A 109 4.820 5.079 23.439 1.00 9.93 C ATOM 606 CD1 PHE A 109 3.697 4.505 24.022 1.00 10.34 C ATOM 607 CD2 PHE A 109 5.475 6.087 24.120 1.00 9.21 C ATOM 608 CE1 PHE A 109 3.228 4.945 25.253 1.00 9.75 C ATOM 609 CE2 PHE A 109 5.018 6.528 25.357 1.00 9.05 C ATOM 610 CZ PHE A 109 3.892 5.961 25.921 1.00 9.18 C ATOM 611 H PHE A 109 4.479 7.130 21.764 1.00 0.00 H ATOM 612 N THR A 110 2.118 5.354 20.777 1.00 17.05 N ATOM 613 CA THR A 110 0.768 4.804 20.678 1.00 19.19 C ATOM 614 C THR A 110 0.253 4.769 19.237 1.00 21.82 C ATOM 615 O THR A 110 -0.268 3.745 18.790 1.00 22.33 O ATOM 616 CB THR A 110 -0.255 5.519 21.599 1.00 16.00 C ATOM 617 OG1 THR A 110 -0.551 6.825 21.092 1.00 16.86 O ATOM 618 CG2 THR A 110 0.268 5.628 23.027 1.00 15.74 C ATOM 619 HG1 THR A 110 -1.204 7.269 21.689 1.00 0.00 H ATOM 620 H THR A 110 2.264 6.383 20.810 1.00 0.00 H ATOM 621 N ASN A 111 0.402 5.875 18.511 1.00 22.99 N ATOM 622 CA ASN A 111 -0.105 5.958 17.141 1.00 24.30 C ATOM 623 C ASN A 111 1.007 5.905 16.100 1.00 24.55 C ATOM 624 O ASN A 111 0.748 5.728 14.910 1.00 25.46 O ATOM 625 CB ASN A 111 -0.937 7.228 16.943 1.00 24.95 C ATOM 626 CG ASN A 111 -2.195 7.241 17.787 1.00 25.83 C ATOM 627 OD1 ASN A 111 -2.646 6.199 18.265 1.00 26.68 O ATOM 628 ND2 ASN A 111 -2.773 8.422 17.973 1.00 25.37 N ATOM 629 HD22 ASN A 111 -2.357 9.277 17.550 1.00 0.00 H ATOM 630 HD21 ASN A 111 -3.641 8.492 18.541 1.00 0.00 H ATOM 631 H ASN A 111 0.888 6.696 18.926 1.00 0.00 H ATOM 632 N HIS A 112 2.243 6.070 16.558 1.00 23.58 N ATOM 633 CA HIS A 112 3.417 6.015 15.693 1.00 23.59 C ATOM 634 C HIS A 112 3.332 6.948 14.501 1.00 22.45 C ATOM 635 O HIS A 112 3.799 6.607 13.417 1.00 23.04 O ATOM 636 CB HIS A 112 3.663 4.588 15.206 1.00 25.04 C ATOM 637 CG HIS A 112 3.803 3.600 16.315 1.00 26.68 C ATOM 638 ND1 HIS A 112 2.721 2.949 16.869 1.00 27.42 N ATOM 639 CD2 HIS A 112 4.892 3.167 16.991 1.00 27.33 C ATOM 640 CE1 HIS A 112 3.140 2.153 17.835 1.00 28.01 C ATOM 641 NE2 HIS A 112 4.452 2.265 17.929 1.00 28.05 N ATOM 642 H HIS A 112 2.379 6.245 17.574 1.00 0.00 H ATOM 643 N ASN A 113 2.746 8.125 14.694 1.00 20.13 N ATOM 644 CA ASN A 113 2.651 9.080 13.592 1.00 18.17 C ATOM 645 C ASN A 113 2.686 10.555 13.998 1.00 16.33 C ATOM 646 O ASN A 113 2.554 11.439 13.156 1.00 16.17 O ATOM 647 CB ASN A 113 1.428 8.780 12.715 1.00 17.64 C ATOM 648 CG ASN A 113 0.109 8.950 13.458 1.00 17.79 C ATOM 649 OD1 ASN A 113 0.028 9.656 14.469 1.00 17.02 O ATOM 650 ND2 ASN A 113 -0.936 8.300 12.951 1.00 17.48 N ATOM 651 HD22 ASN A 113 -0.821 7.717 12.098 1.00 0.00 H ATOM 652 HD21 ASN A 113 -1.867 8.375 13.408 1.00 0.00 H ATOM 653 H ASN A 113 2.356 8.366 15.627 1.00 0.00 H ATOM 654 N GLY A 114 2.856 10.821 15.289 1.00 14.38 N ATOM 655 CA GLY A 114 2.955 12.190 15.754 1.00 12.40 C ATOM 656 C GLY A 114 1.652 12.758 16.285 1.00 10.98 C ATOM 657 O GLY A 114 1.599 13.919 16.680 1.00 10.86 O ATOM 658 H GLY A 114 2.919 10.039 15.972 1.00 0.00 H ATOM 659 N THR A 115 0.595 11.952 16.302 1.00 10.24 N ATOM 660 CA THR A 115 -0.673 12.425 16.855 1.00 10.04 C ATOM 661 C THR A 115 -0.887 11.877 18.249 1.00 10.09 C ATOM 662 O THR A 115 -1.810 12.302 18.938 1.00 8.98 O ATOM 663 CB THR A 115 -1.889 11.985 16.016 1.00 10.00 C ATOM 664 OG1 THR A 115 -1.995 10.555 16.048 1.00 10.59 O ATOM 665 CG2 THR A 115 -1.772 12.472 14.573 1.00 9.34 C ATOM 666 HG1 THR A 115 -1.171 10.156 15.672 1.00 0.00 H ATOM 667 H THR A 115 0.670 10.987 15.923 1.00 0.00 H ATOM 668 N GLY A 116 -0.045 10.928 18.660 1.00 10.51 N ATOM 669 CA GLY A 116 -0.313 10.182 19.880 1.00 11.55 C ATOM 670 C GLY A 116 0.691 10.243 21.020 1.00 11.95 C ATOM 671 O GLY A 116 1.333 11.270 21.270 1.00 10.47 O ATOM 672 H GLY A 116 0.809 10.720 18.105 1.00 0.00 H ATOM 673 N GLY A 117 0.814 9.118 21.723 1.00 12.71 N ATOM 674 CA GLY A 117 1.581 9.048 22.953 1.00 12.64 C ATOM 675 C GLY A 117 0.694 9.164 24.190 1.00 11.94 C ATOM 676 O GLY A 117 -0.480 9.514 24.084 1.00 12.12 O ATOM 677 H GLY A 117 0.343 8.258 21.377 1.00 0.00 H ATOM 678 N LYS A 118 1.253 8.844 25.356 1.00 10.94 N ATOM 679 CA LYS A 118 0.571 9.036 26.637 1.00 9.76 C ATOM 680 C LYS A 118 1.594 9.140 27.765 1.00 9.41 C ATOM 681 O LYS A 118 2.728 8.686 27.622 1.00 8.47 O ATOM 682 CB LYS A 118 -0.409 7.896 26.923 1.00 10.02 C ATOM 683 CG LYS A 118 0.232 6.531 27.097 1.00 10.22 C ATOM 684 CD LYS A 118 -0.825 5.446 27.326 1.00 10.44 C ATOM 685 CE LYS A 118 -0.197 4.062 27.312 1.00 10.97 C ATOM 686 NZ LYS A 118 -1.194 2.938 27.425 1.00 10.96 N ATOM 687 HZ1 LYS A 118 -1.718 3.030 28.318 1.00 0.00 H ATOM 688 HZ2 LYS A 118 -1.858 2.984 26.626 1.00 0.00 H ATOM 689 HZ3 LYS A 118 -0.692 2.028 27.408 1.00 0.00 H ATOM 690 H LYS A 118 2.212 8.442 25.356 1.00 0.00 H ATOM 691 N SER A 119 1.191 9.730 28.888 1.00 9.46 N ATOM 692 CA SER A 119 2.084 9.857 30.039 1.00 8.33 C ATOM 693 C SER A 119 1.833 8.743 31.060 1.00 6.71 C ATOM 694 O SER A 119 0.868 7.975 30.946 1.00 5.27 O ATOM 695 CB SER A 119 1.913 11.224 30.708 1.00 8.10 C ATOM 696 OG SER A 119 0.871 11.186 31.670 1.00 8.92 O ATOM 697 HG SER A 119 0.022 10.939 31.225 1.00 0.00 H ATOM 698 H SER A 119 0.224 10.107 28.948 1.00 0.00 H ATOM 699 N ILE A 120 2.694 8.663 32.068 1.00 5.79 N ATOM 700 CA ILE A 120 2.516 7.651 33.102 1.00 5.08 C ATOM 701 C ILE A 120 1.313 7.989 33.991 1.00 5.13 C ATOM 702 O ILE A 120 0.805 7.133 34.709 1.00 5.50 O ATOM 703 CB ILE A 120 3.784 7.482 33.960 1.00 6.19 C ATOM 704 CG1 ILE A 120 4.064 8.746 34.777 1.00 6.71 C ATOM 705 CG2 ILE A 120 4.986 7.125 33.073 1.00 5.71 C ATOM 706 CD1 ILE A 120 5.290 8.622 35.685 1.00 7.17 C ATOM 707 H ILE A 120 3.496 9.323 32.120 1.00 0.00 H ATOM 708 N TYR A 121 0.853 9.233 33.922 1.00 4.71 N ATOM 709 CA TYR A 121 -0.212 9.707 34.804 1.00 4.70 C ATOM 710 C TYR A 121 -1.597 9.532 34.200 1.00 5.59 C ATOM 711 O TYR A 121 -2.598 9.545 34.913 1.00 6.29 O ATOM 712 CB TYR A 121 -0.010 11.188 35.123 1.00 3.97 C ATOM 713 CG TYR A 121 1.363 11.539 35.628 1.00 4.48 C ATOM 714 CD1 TYR A 121 1.841 11.010 36.818 1.00 4.48 C ATOM 715 CD2 TYR A 121 2.175 12.421 34.925 1.00 5.48 C ATOM 716 CE1 TYR A 121 3.095 11.336 37.291 1.00 5.59 C ATOM 717 CE2 TYR A 121 3.438 12.758 35.389 1.00 5.68 C ATOM 718 CZ TYR A 121 3.894 12.208 36.570 1.00 6.48 C ATOM 719 OH TYR A 121 5.148 12.532 37.038 1.00 7.25 O ATOM 720 HH TYR A 121 5.315 12.054 37.889 1.00 0.00 H ATOM 721 H TYR A 121 1.261 9.886 33.223 1.00 0.00 H ATOM 722 N GLY A 122 -1.645 9.395 32.881 1.00 5.74 N ATOM 723 CA GLY A 122 -2.889 9.415 32.136 1.00 6.15 C ATOM 724 C GLY A 122 -2.549 9.893 30.737 1.00 7.67 C ATOM 725 O GLY A 122 -1.372 10.011 30.399 1.00 6.64 O ATOM 726 H GLY A 122 -0.754 9.268 32.360 1.00 0.00 H ATOM 727 N SER A 123 -3.550 10.181 29.914 1.00 8.02 N ATOM 728 CA SER A 123 -3.237 10.511 28.532 1.00 9.37 C ATOM 729 C SER A 123 -2.505 11.856 28.393 1.00 9.45 C ATOM 730 O SER A 123 -1.641 12.001 27.521 1.00 9.55 O ATOM 731 CB SER A 123 -4.477 10.443 27.642 1.00 10.96 C ATOM 732 OG SER A 123 -5.347 11.523 27.901 1.00 12.56 O ATOM 733 HG SER A 123 -6.140 11.455 27.312 1.00 0.00 H ATOM 734 H SER A 123 -4.534 10.171 30.249 1.00 0.00 H ATOM 735 N ARG A 124 -2.836 12.827 29.251 1.00 7.99 N ATOM 736 CA ARG A 124 -2.177 14.140 29.218 1.00 7.13 C ATOM 737 C ARG A 124 -1.954 14.690 30.621 1.00 4.93 C ATOM 738 O ARG A 124 -2.663 14.330 31.552 1.00 3.44 O ATOM 739 CB ARG A 124 -3.011 15.152 28.429 1.00 7.68 C ATOM 740 CG ARG A 124 -3.418 14.720 27.024 1.00 8.54 C ATOM 741 CD ARG A 124 -2.243 14.722 26.038 1.00 9.08 C ATOM 742 NE ARG A 124 -2.703 14.492 24.666 1.00 9.79 N ATOM 743 CZ ARG A 124 -2.660 13.315 24.044 1.00 9.89 C ATOM 744 NH1 ARG A 124 -2.171 12.245 24.661 1.00 8.88 N ATOM 745 NH2 ARG A 124 -3.100 13.206 22.799 1.00 10.03 N ATOM 746 HE ARG A 124 -3.089 15.303 24.142 1.00 0.00 H ATOM 747 HH12 ARG A 124 -2.141 11.329 24.169 1.00 0.00 H ATOM 748 HH11 ARG A 124 -1.818 12.323 25.636 1.00 0.00 H ATOM 749 HH22 ARG A 124 -3.066 12.287 22.314 1.00 0.00 H ATOM 750 HH21 ARG A 124 -3.479 14.040 22.307 1.00 0.00 H ATOM 751 H ARG A 124 -3.577 12.649 29.958 1.00 0.00 H ATOM 752 N PHE A 125 -0.977 15.578 30.778 1.00 4.82 N ATOM 753 CA PHE A 125 -0.767 16.219 32.081 1.00 4.49 C ATOM 754 C PHE A 125 -0.372 17.692 31.929 1.00 5.28 C ATOM 755 O PHE A 125 0.081 18.101 30.853 1.00 5.72 O ATOM 756 CB PHE A 125 0.233 15.418 32.945 1.00 4.36 C ATOM 757 CG PHE A 125 1.648 15.428 32.437 1.00 5.08 C ATOM 758 CD1 PHE A 125 2.019 14.647 31.348 1.00 5.49 C ATOM 759 CD2 PHE A 125 2.622 16.182 33.081 1.00 5.01 C ATOM 760 CE1 PHE A 125 3.331 14.641 30.888 1.00 5.87 C ATOM 761 CE2 PHE A 125 3.939 16.183 32.635 1.00 5.03 C ATOM 762 CZ PHE A 125 4.298 15.413 31.535 1.00 5.79 C ATOM 763 H PHE A 125 -0.361 15.819 29.976 1.00 0.00 H ATOM 764 N PRO A 126 -0.563 18.501 32.994 1.00 5.83 N ATOM 765 CA PRO A 126 -0.372 19.953 32.860 1.00 5.56 C ATOM 766 C PRO A 126 1.052 20.419 32.598 1.00 6.21 C ATOM 767 O PRO A 126 2.026 19.711 32.898 1.00 6.61 O ATOM 768 CB PRO A 126 -0.814 20.495 34.231 1.00 5.13 C ATOM 769 CG PRO A 126 -1.741 19.456 34.782 1.00 5.59 C ATOM 770 CD PRO A 126 -1.172 18.145 34.294 1.00 5.47 C ATOM 771 N ASP A 127 1.155 21.632 32.054 1.00 5.67 N ATOM 772 CA ASP A 127 2.425 22.345 31.974 1.00 5.79 C ATOM 773 C ASP A 127 2.926 22.661 33.375 1.00 7.12 C ATOM 774 O ASP A 127 2.352 23.517 34.070 1.00 7.14 O ATOM 775 CB ASP A 127 2.255 23.656 31.211 1.00 5.84 C ATOM 776 CG ASP A 127 1.883 23.444 29.761 1.00 6.34 C ATOM 777 OD1 ASP A 127 2.360 22.454 29.167 1.00 6.16 O ATOM 778 OD2 ASP A 127 1.118 24.275 29.215 1.00 6.36 O ATOM 779 H ASP A 127 0.300 22.086 31.673 1.00 0.00 H ATOM 780 N GLU A 128 4.000 21.989 33.780 1.00 7.05 N ATOM 781 CA GLU A 128 4.518 22.098 35.138 1.00 6.58 C ATOM 782 C GLU A 128 4.967 23.524 35.474 1.00 6.77 C ATOM 783 O GLU A 128 4.521 24.108 36.465 1.00 6.76 O ATOM 784 CB GLU A 128 5.667 21.111 35.344 1.00 7.23 C ATOM 785 CG GLU A 128 6.064 20.931 36.796 1.00 6.70 C ATOM 786 CD GLU A 128 6.809 19.636 37.031 1.00 7.49 C ATOM 787 OE1 GLU A 128 7.239 18.998 36.047 1.00 6.80 O ATOM 788 OE2 GLU A 128 6.958 19.245 38.205 1.00 8.40 O ATOM 789 H GLU A 128 4.486 21.365 33.105 1.00 0.00 H ATOM 790 N ASN A 129 5.870 24.066 34.663 1.00 6.37 N ATOM 791 CA ASN A 129 6.229 25.483 34.722 1.00 5.52 C ATOM 792 C ASN A 129 7.048 25.825 33.496 1.00 6.03 C ATOM 793 O ASN A 129 7.417 24.929 32.738 1.00 5.58 O ATOM 794 CB ASN A 129 7.011 25.832 35.994 1.00 6.01 C ATOM 795 CG ASN A 129 8.290 25.039 36.135 1.00 6.92 C ATOM 796 OD1 ASN A 129 9.183 25.119 35.293 1.00 7.24 O ATOM 797 ND2 ASN A 129 8.396 24.281 37.222 1.00 7.14 N ATOM 798 HD22 ASN A 129 7.615 24.244 37.908 1.00 0.00 H ATOM 799 HD21 ASN A 129 9.260 23.725 37.386 1.00 0.00 H ATOM 800 H ASN A 129 6.339 23.460 33.960 1.00 0.00 H ATOM 801 N PHE A 130 7.335 27.107 33.293 1.00 6.25 N ATOM 802 CA PHE A 130 8.170 27.513 32.164 1.00 7.13 C ATOM 803 C PHE A 130 9.486 28.133 32.632 1.00 8.00 C ATOM 804 O PHE A 130 10.022 29.050 32.007 1.00 7.89 O ATOM 805 CB PHE A 130 7.403 28.455 31.231 1.00 7.00 C ATOM 806 CG PHE A 130 6.145 27.844 30.675 1.00 6.61 C ATOM 807 CD1 PHE A 130 6.211 26.755 29.817 1.00 6.73 C ATOM 808 CD2 PHE A 130 4.902 28.337 31.027 1.00 6.27 C ATOM 809 CE1 PHE A 130 5.056 26.177 29.306 1.00 6.45 C ATOM 810 CE2 PHE A 130 3.744 27.763 30.524 1.00 6.43 C ATOM 811 CZ PHE A 130 3.822 26.687 29.663 1.00 6.67 C ATOM 812 H PHE A 130 6.962 27.828 33.943 1.00 0.00 H ATOM 813 N THR A 131 10.024 27.589 33.718 1.00 8.23 N ATOM 814 CA THR A 131 11.219 28.143 34.342 1.00 8.54 C ATOM 815 C THR A 131 12.498 28.012 33.510 1.00 7.32 C ATOM 816 O THR A 131 13.241 28.981 33.356 1.00 7.87 O ATOM 817 CB THR A 131 11.426 27.543 35.733 1.00 8.97 C ATOM 818 OG1 THR A 131 10.273 27.830 36.533 1.00 9.99 O ATOM 819 CG2 THR A 131 12.666 28.132 36.400 1.00 8.57 C ATOM 820 HG1 THR A 131 10.396 27.446 37.437 1.00 0.00 H ATOM 821 H THR A 131 9.581 26.745 34.134 1.00 0.00 H ATOM 822 N LEU A 132 12.759 26.818 32.993 1.00 6.06 N ATOM 823 CA LEU A 132 13.908 26.587 32.116 1.00 5.37 C ATOM 824 C LEU A 132 13.611 27.111 30.704 1.00 5.04 C ATOM 825 O LEU A 132 12.487 26.995 30.224 1.00 5.02 O ATOM 826 CB LEU A 132 14.220 25.091 32.058 1.00 5.27 C ATOM 827 CG LEU A 132 14.926 24.452 33.254 1.00 5.65 C ATOM 828 CD1 LEU A 132 14.656 22.946 33.280 1.00 5.38 C ATOM 829 CD2 LEU A 132 16.421 24.720 33.179 1.00 4.94 C ATOM 830 H LEU A 132 12.128 26.022 33.218 1.00 0.00 H ATOM 831 N LYS A 133 14.609 27.680 30.035 1.00 5.06 N ATOM 832 CA LYS A 133 14.377 28.274 28.714 1.00 5.39 C ATOM 833 C LYS A 133 15.020 27.452 27.590 1.00 5.59 C ATOM 834 O LYS A 133 15.899 26.616 27.836 1.00 5.40 O ATOM 835 CB LYS A 133 14.882 29.724 28.669 1.00 5.68 C ATOM 836 CG LYS A 133 14.423 30.600 29.845 1.00 6.54 C ATOM 837 CD LYS A 133 12.924 30.833 29.821 1.00 7.80 C ATOM 838 CE LYS A 133 12.435 31.430 31.137 1.00 8.51 C ATOM 839 NZ LYS A 133 10.956 31.618 31.147 1.00 8.49 N ATOM 840 HZ1 LYS A 133 10.684 32.261 30.376 1.00 0.00 H ATOM 841 HZ2 LYS A 133 10.490 30.698 31.013 1.00 0.00 H ATOM 842 HZ3 LYS A 133 10.666 32.026 32.059 1.00 0.00 H ATOM 843 H LYS A 133 15.562 27.704 30.451 1.00 0.00 H ATOM 844 N HIS A 134 14.569 27.677 26.361 1.00 5.36 N ATOM 845 CA HIS A 134 15.178 27.023 25.204 1.00 5.94 C ATOM 846 C HIS A 134 16.436 27.789 24.785 1.00 7.27 C ATOM 847 O HIS A 134 16.409 28.566 23.833 1.00 6.92 O ATOM 848 CB HIS A 134 14.196 26.965 24.037 1.00 5.11 C ATOM 849 CG HIS A 134 12.929 26.224 24.342 1.00 4.89 C ATOM 850 ND1 HIS A 134 11.894 26.778 25.063 1.00 5.28 N ATOM 851 CD2 HIS A 134 12.527 24.975 24.006 1.00 4.04 C ATOM 852 CE1 HIS A 134 10.908 25.904 25.159 1.00 4.86 C ATOM 853 NE2 HIS A 134 11.264 24.803 24.522 1.00 4.73 N ATOM 854 H HIS A 134 13.771 28.328 26.220 1.00 0.00 H ATOM 855 N VAL A 135 17.539 27.539 25.487 1.00 8.44 N ATOM 856 CA VAL A 135 18.727 28.392 25.416 1.00 8.10 C ATOM 857 C VAL A 135 19.680 28.111 24.243 1.00 9.27 C ATOM 858 O VAL A 135 20.446 28.993 23.849 1.00 9.36 O ATOM 859 CB VAL A 135 19.540 28.315 26.732 1.00 7.19 C ATOM 860 CG1 VAL A 135 18.743 28.878 27.903 1.00 6.06 C ATOM 861 CG2 VAL A 135 19.980 26.878 27.010 1.00 6.89 C ATOM 862 H VAL A 135 17.558 26.706 26.110 1.00 0.00 H ATOM 863 N GLY A 136 19.648 26.895 23.702 1.00 8.64 N ATOM 864 CA GLY A 136 20.566 26.510 22.637 1.00 7.78 C ATOM 865 C GLY A 136 20.399 25.061 22.209 1.00 7.42 C ATOM 866 O GLY A 136 19.452 24.390 22.626 1.00 7.05 O ATOM 867 H GLY A 136 18.952 26.204 24.047 1.00 0.00 H ATOM 868 N PRO A 137 21.317 24.566 21.363 1.00 7.08 N ATOM 869 CA PRO A 137 21.284 23.159 20.936 1.00 6.77 C ATOM 870 C PRO A 137 21.388 22.225 22.144 1.00 5.63 C ATOM 871 O PRO A 137 22.079 22.562 23.104 1.00 5.58 O ATOM 872 CB PRO A 137 22.534 23.025 20.055 1.00 6.58 C ATOM 873 CG PRO A 137 22.835 24.420 19.595 1.00 6.91 C ATOM 874 CD PRO A 137 22.407 25.325 20.723 1.00 6.93 C ATOM 875 N GLY A 138 20.695 21.087 22.104 1.00 4.93 N ATOM 876 CA GLY A 138 20.779 20.108 23.175 1.00 4.15 C ATOM 877 C GLY A 138 19.690 20.219 24.228 1.00 4.31 C ATOM 878 O GLY A 138 19.597 19.379 25.119 1.00 4.66 O ATOM 879 H GLY A 138 20.080 20.895 21.288 1.00 0.00 H ATOM 880 N VAL A 139 18.858 21.250 24.132 1.00 3.88 N ATOM 881 CA VAL A 139 17.752 21.414 25.075 1.00 4.30 C ATOM 882 C VAL A 139 16.690 20.338 24.847 1.00 3.89 C ATOM 883 O VAL A 139 16.323 20.055 23.701 1.00 3.34 O ATOM 884 CB VAL A 139 17.106 22.814 24.951 1.00 5.67 C ATOM 885 CG1 VAL A 139 15.712 22.842 25.618 1.00 6.41 C ATOM 886 CG2 VAL A 139 18.024 23.894 25.533 1.00 5.35 C ATOM 887 H VAL A 139 18.995 21.951 23.376 1.00 0.00 H ATOM 888 N LEU A 140 16.216 19.734 25.937 1.00 4.30 N ATOM 889 CA LEU A 140 15.186 18.703 25.879 1.00 5.40 C ATOM 890 C LEU A 140 13.855 19.284 26.376 1.00 5.54 C ATOM 891 O LEU A 140 13.777 19.813 27.486 1.00 4.98 O ATOM 892 CB LEU A 140 15.596 17.503 26.734 1.00 5.53 C ATOM 893 CG LEU A 140 14.610 16.341 26.853 1.00 6.14 C ATOM 894 CD1 LEU A 140 14.471 15.607 25.512 1.00 5.99 C ATOM 895 CD2 LEU A 140 15.050 15.389 27.960 1.00 5.92 C ATOM 896 H LEU A 140 16.596 20.009 26.865 1.00 0.00 H ATOM 897 N SER A 141 12.811 19.165 25.562 1.00 5.59 N ATOM 898 CA SER A 141 11.563 19.888 25.811 1.00 5.75 C ATOM 899 C SER A 141 10.328 19.084 25.379 1.00 4.60 C ATOM 900 O SER A 141 10.427 18.214 24.514 1.00 3.57 O ATOM 901 CB SER A 141 11.605 21.233 25.078 1.00 6.38 C ATOM 902 OG SER A 141 10.483 22.036 25.394 1.00 6.04 O ATOM 903 HG SER A 141 10.544 22.894 24.904 1.00 0.00 H ATOM 904 H SER A 141 12.882 18.545 24.730 1.00 0.00 H ATOM 905 N MET A 142 9.172 19.364 25.988 1.00 3.89 N ATOM 906 CA MET A 142 7.953 18.605 25.676 1.00 3.38 C ATOM 907 C MET A 142 7.187 19.159 24.468 1.00 3.57 C ATOM 908 O MET A 142 6.875 20.353 24.405 1.00 2.18 O ATOM 909 CB MET A 142 7.010 18.530 26.885 1.00 2.62 C ATOM 910 CG MET A 142 7.533 17.716 28.073 1.00 2.41 C ATOM 911 SD MET A 142 7.770 15.963 27.716 1.00 7.93 S ATOM 912 CE MET A 142 6.077 15.405 27.554 1.00 1.12 C ATOM 913 H MET A 142 9.135 20.129 26.692 1.00 0.00 H ATOM 914 N ALA A 143 6.892 18.287 23.506 1.00 3.93 N ATOM 915 CA ALA A 143 5.983 18.640 22.425 1.00 4.48 C ATOM 916 C ALA A 143 4.588 18.810 23.024 1.00 5.15 C ATOM 917 O ALA A 143 4.304 18.264 24.092 1.00 4.55 O ATOM 918 CB ALA A 143 5.975 17.546 21.357 1.00 3.84 C ATOM 919 H ALA A 143 7.318 17.338 23.527 1.00 0.00 H ATOM 920 N ASN A 144 3.718 19.569 22.360 1.00 5.25 N ATOM 921 CA ASN A 144 2.331 19.641 22.812 1.00 5.39 C ATOM 922 C ASN A 144 1.349 20.075 21.730 1.00 5.82 C ATOM 923 O ASN A 144 1.746 20.445 20.616 1.00 4.07 O ATOM 924 CB ASN A 144 2.194 20.522 24.060 1.00 4.67 C ATOM 925 CG ASN A 144 2.489 21.994 23.785 1.00 5.75 C ATOM 926 OD1 ASN A 144 2.036 22.559 22.785 1.00 5.71 O ATOM 927 ND2 ASN A 144 3.258 22.623 24.679 1.00 5.36 N ATOM 928 HD22 ASN A 144 3.619 22.109 25.508 1.00 0.00 H ATOM 929 HD21 ASN A 144 3.496 23.627 24.546 1.00 0.00 H ATOM 930 H ASN A 144 4.024 20.107 21.525 1.00 0.00 H ATOM 931 N ALA A 145 0.065 20.011 22.069 1.00 6.30 N ATOM 932 CA ALA A 145 -0.995 20.457 21.177 1.00 7.49 C ATOM 933 C ALA A 145 -1.703 21.657 21.807 1.00 7.58 C ATOM 934 O ALA A 145 -2.933 21.784 21.738 1.00 7.47 O ATOM 935 CB ALA A 145 -1.982 19.320 20.914 1.00 8.57 C ATOM 936 H ALA A 145 -0.190 19.630 23.002 1.00 0.00 H ATOM 937 N GLY A 146 -0.914 22.539 22.417 1.00 6.43 N ATOM 938 CA GLY A 146 -1.457 23.672 23.146 1.00 5.91 C ATOM 939 C GLY A 146 -1.265 23.539 24.649 1.00 5.91 C ATOM 940 O GLY A 146 -0.656 22.574 25.123 1.00 5.14 O ATOM 941 H GLY A 146 0.117 22.414 22.370 1.00 0.00 H ATOM 942 N PRO A 147 -1.796 24.504 25.415 1.00 6.83 N ATOM 943 CA PRO A 147 -1.570 24.487 26.863 1.00 6.15 C ATOM 944 C PRO A 147 -2.020 23.175 27.498 1.00 5.28 C ATOM 945 O PRO A 147 -3.062 22.616 27.128 1.00 4.88 O ATOM 946 CB PRO A 147 -2.421 25.661 27.360 1.00 7.09 C ATOM 947 CG PRO A 147 -2.475 26.590 26.182 1.00 7.44 C ATOM 948 CD PRO A 147 -2.553 25.694 24.985 1.00 7.17 C ATOM 949 N ASN A 148 -1.197 22.675 28.412 1.00 5.22 N ATOM 950 CA ASN A 148 -1.543 21.535 29.251 1.00 5.78 C ATOM 951 C ASN A 148 -1.908 20.251 28.505 1.00 5.71 C ATOM 952 O ASN A 148 -2.873 19.571 28.867 1.00 5.83 O ATOM 953 CB ASN A 148 -2.668 21.925 30.211 1.00 6.68 C ATOM 954 CG ASN A 148 -2.317 23.139 31.045 1.00 6.69 C ATOM 955 OD1 ASN A 148 -1.302 23.156 31.749 1.00 6.26 O ATOM 956 ND2 ASN A 148 -3.145 24.173 30.956 1.00 7.36 N ATOM 957 HD22 ASN A 148 -3.988 24.113 30.350 1.00 0.00 H ATOM 958 HD21 ASN A 148 -2.950 25.043 31.492 1.00 0.00 H ATOM 959 H ASN A 148 -0.264 23.117 28.535 1.00 0.00 H ATOM 960 N THR A 149 -1.152 19.923 27.464 1.00 5.41 N ATOM 961 CA THR A 149 -1.411 18.690 26.727 1.00 6.28 C ATOM 962 C THR A 149 -0.136 17.863 26.553 1.00 5.99 C ATOM 963 O THR A 149 0.079 17.242 25.509 1.00 5.79 O ATOM 964 CB THR A 149 -2.046 18.959 25.354 1.00 6.70 C ATOM 965 OG1 THR A 149 -1.159 19.764 24.576 1.00 7.91 O ATOM 966 CG2 THR A 149 -3.380 19.680 25.503 1.00 6.47 C ATOM 967 HG1 THR A 149 -0.999 20.622 25.043 1.00 0.00 H ATOM 968 H THR A 149 -0.373 20.547 27.173 1.00 0.00 H ATOM 969 N ASN A 150 0.711 17.868 27.578 1.00 4.64 N ATOM 970 CA ASN A 150 1.906 17.040 27.576 1.00 5.63 C ATOM 971 C ASN A 150 1.518 15.584 27.634 1.00 6.50 C ATOM 972 O ASN A 150 0.661 15.207 28.425 1.00 7.86 O ATOM 973 CB ASN A 150 2.760 17.372 28.788 1.00 5.85 C ATOM 974 CG ASN A 150 3.166 18.819 28.813 1.00 6.00 C ATOM 975 OD1 ASN A 150 4.045 19.236 28.051 1.00 5.93 O ATOM 976 ND2 ASN A 150 2.521 19.604 29.670 1.00 5.93 N ATOM 977 HD22 ASN A 150 1.788 19.205 30.291 1.00 0.00 H ATOM 978 HD21 ASN A 150 2.749 20.618 29.720 1.00 0.00 H ATOM 979 H ASN A 150 0.515 18.477 28.398 1.00 0.00 H ATOM 980 N GLY A 151 2.136 14.765 26.793 1.00 5.63 N ATOM 981 CA GLY A 151 1.863 13.340 26.806 1.00 4.20 C ATOM 982 C GLY A 151 3.176 12.611 26.938 1.00 4.20 C ATOM 983 O GLY A 151 3.725 12.499 28.044 1.00 4.25 O ATOM 984 H GLY A 151 2.825 15.149 26.116 1.00 0.00 H ATOM 985 N SER A 152 3.699 12.136 25.809 1.00 3.58 N ATOM 986 CA SER A 152 5.006 11.500 25.794 1.00 3.76 C ATOM 987 C SER A 152 5.936 12.102 24.732 1.00 3.69 C ATOM 988 O SER A 152 7.151 11.971 24.824 1.00 3.49 O ATOM 989 CB SER A 152 4.857 9.997 25.576 1.00 4.50 C ATOM 990 OG SER A 152 4.135 9.751 24.389 1.00 5.03 O ATOM 991 HG SER A 152 4.620 10.146 23.621 1.00 0.00 H ATOM 992 H SER A 152 3.163 12.222 24.922 1.00 0.00 H ATOM 993 N GLN A 153 5.368 12.756 23.725 1.00 4.22 N ATOM 994 CA GLN A 153 6.185 13.350 22.667 1.00 3.76 C ATOM 995 C GLN A 153 7.135 14.420 23.202 1.00 4.29 C ATOM 996 O GLN A 153 6.748 15.251 24.031 1.00 5.20 O ATOM 997 CB GLN A 153 5.308 13.919 21.550 1.00 2.88 C ATOM 998 CG GLN A 153 4.591 12.854 20.739 1.00 3.54 C ATOM 999 CD GLN A 153 3.909 13.426 19.515 1.00 5.33 C ATOM 1000 OE1 GLN A 153 4.525 14.135 18.729 1.00 5.27 O ATOM 1001 NE2 GLN A 153 2.622 13.125 19.352 1.00 5.98 N ATOM 1002 HE22 GLN A 153 2.138 12.519 20.045 1.00 0.00 H ATOM 1003 HE21 GLN A 153 2.101 13.496 18.532 1.00 0.00 H ATOM 1004 H GLN A 153 4.333 12.847 23.688 1.00 0.00 H ATOM 1005 N PHE A 154 8.374 14.393 22.714 1.00 4.06 N ATOM 1006 CA PHE A 154 9.404 15.328 23.148 1.00 4.57 C ATOM 1007 C PHE A 154 10.257 15.754 21.965 1.00 5.16 C ATOM 1008 O PHE A 154 10.179 15.159 20.889 1.00 5.22 O ATOM 1009 CB PHE A 154 10.303 14.671 24.201 1.00 4.48 C ATOM 1010 CG PHE A 154 11.058 13.460 23.696 1.00 4.85 C ATOM 1011 CD1 PHE A 154 12.378 13.573 23.263 1.00 4.45 C ATOM 1012 CD2 PHE A 154 10.452 12.210 23.662 1.00 4.58 C ATOM 1013 CE1 PHE A 154 13.071 12.459 22.803 1.00 4.69 C ATOM 1014 CE2 PHE A 154 11.145 11.093 23.207 1.00 4.53 C ATOM 1015 CZ PHE A 154 12.454 11.219 22.770 1.00 4.32 C ATOM 1016 H PHE A 154 8.615 13.679 21.997 1.00 0.00 H ATOM 1017 N PHE A 155 11.078 16.778 22.167 1.00 5.53 N ATOM 1018 CA PHE A 155 12.040 17.164 21.147 1.00 5.00 C ATOM 1019 C PHE A 155 13.388 17.594 21.727 1.00 5.22 C ATOM 1020 O PHE A 155 13.499 17.965 22.899 1.00 5.38 O ATOM 1021 CB PHE A 155 11.466 18.216 20.181 1.00 4.38 C ATOM 1022 CG PHE A 155 11.088 19.528 20.828 1.00 4.30 C ATOM 1023 CD1 PHE A 155 9.871 19.670 21.479 1.00 4.12 C ATOM 1024 CD2 PHE A 155 11.926 20.634 20.736 1.00 3.64 C ATOM 1025 CE1 PHE A 155 9.507 20.872 22.047 1.00 4.23 C ATOM 1026 CE2 PHE A 155 11.571 21.846 21.305 1.00 2.85 C ATOM 1027 CZ PHE A 155 10.364 21.968 21.965 1.00 3.06 C ATOM 1028 H PHE A 155 11.033 17.308 23.061 1.00 0.00 H ATOM 1029 N ILE A 156 14.416 17.510 20.891 1.00 4.55 N ATOM 1030 CA ILE A 156 15.737 17.974 21.261 1.00 4.01 C ATOM 1031 C ILE A 156 16.108 19.042 20.255 1.00 3.64 C ATOM 1032 O ILE A 156 16.118 18.785 19.052 1.00 3.44 O ATOM 1033 CB ILE A 156 16.756 16.823 21.230 1.00 4.10 C ATOM 1034 CG1 ILE A 156 16.320 15.729 22.215 1.00 4.19 C ATOM 1035 CG2 ILE A 156 18.161 17.343 21.546 1.00 3.48 C ATOM 1036 CD1 ILE A 156 17.108 14.448 22.103 1.00 4.74 C ATOM 1037 H ILE A 156 14.269 17.101 19.946 1.00 0.00 H ATOM 1038 N CYS A 157 16.366 20.249 20.742 1.00 3.36 N ATOM 1039 CA CYS A 157 16.682 21.370 19.865 1.00 4.46 C ATOM 1040 C CYS A 157 18.095 21.262 19.290 1.00 4.45 C ATOM 1041 O CYS A 157 19.005 20.757 19.945 1.00 4.51 O ATOM 1042 CB CYS A 157 16.547 22.687 20.629 1.00 5.28 C ATOM 1043 SG CYS A 157 14.949 22.944 21.445 1.00 9.25 S ATOM 1044 H CYS A 157 16.342 20.399 21.771 1.00 0.00 H ATOM 1045 N THR A 158 18.277 21.758 18.071 1.00 5.04 N ATOM 1046 CA THR A 158 19.606 21.835 17.475 1.00 6.68 C ATOM 1047 C THR A 158 20.032 23.302 17.294 1.00 7.71 C ATOM 1048 O THR A 158 21.052 23.593 16.673 1.00 7.62 O ATOM 1049 CB THR A 158 19.650 21.110 16.119 1.00 6.73 C ATOM 1050 OG1 THR A 158 18.679 21.693 15.245 1.00 7.41 O ATOM 1051 CG2 THR A 158 19.338 19.628 16.290 1.00 5.54 C ATOM 1052 HG1 THR A 158 18.703 21.230 14.370 1.00 0.00 H ATOM 1053 H THR A 158 17.456 22.098 17.531 1.00 0.00 H ATOM 1054 N ILE A 159 19.215 24.209 17.824 1.00 8.57 N ATOM 1055 CA ILE A 159 19.474 25.649 17.792 1.00 8.52 C ATOM 1056 C ILE A 159 18.794 26.262 19.001 1.00 8.15 C ATOM 1057 O ILE A 159 17.999 25.604 19.667 1.00 7.43 O ATOM 1058 CB ILE A 159 18.836 26.343 16.566 1.00 8.60 C ATOM 1059 CG1 ILE A 159 17.332 26.064 16.528 1.00 8.88 C ATOM 1060 CG2 ILE A 159 19.499 25.927 15.265 1.00 8.39 C ATOM 1061 CD1 ILE A 159 16.543 27.066 15.722 1.00 9.06 C ATOM 1062 H ILE A 159 18.345 23.876 18.286 1.00 0.00 H ATOM 1063 N LYS A 160 19.085 27.525 19.296 1.00 8.10 N ATOM 1064 CA LYS A 160 18.302 28.233 20.305 1.00 8.40 C ATOM 1065 C LYS A 160 16.900 28.462 19.737 1.00 9.20 C ATOM 1066 O LYS A 160 16.762 29.020 18.649 1.00 9.50 O ATOM 1067 CB LYS A 160 18.937 29.577 20.650 1.00 8.28 C ATOM 1068 CG LYS A 160 18.115 30.379 21.634 1.00 8.98 C ATOM 1069 CD LYS A 160 18.854 31.602 22.139 1.00 10.90 C ATOM 1070 CE LYS A 160 18.619 32.804 21.246 1.00 11.85 C ATOM 1071 NZ LYS A 160 18.919 34.070 21.982 1.00 12.25 N ATOM 1072 HZ1 LYS A 160 18.300 34.141 22.814 1.00 0.00 H ATOM 1073 HZ2 LYS A 160 19.913 34.065 22.288 1.00 0.00 H ATOM 1074 HZ3 LYS A 160 18.752 34.882 21.354 1.00 0.00 H ATOM 1075 H LYS A 160 19.868 28.007 18.810 1.00 0.00 H ATOM 1076 N THR A 161 15.864 28.022 20.450 1.00 9.24 N ATOM 1077 CA THR A 161 14.490 28.199 19.977 1.00 9.30 C ATOM 1078 C THR A 161 13.676 29.053 20.958 1.00 9.86 C ATOM 1079 O THR A 161 12.707 28.576 21.553 1.00 10.02 O ATOM 1080 CB THR A 161 13.774 26.835 19.745 1.00 5.94 C ATOM 1081 OG1 THR A 161 13.739 26.085 20.964 1.00 5.51 O ATOM 1082 CG2 THR A 161 14.487 26.013 18.676 1.00 5.81 C ATOM 1083 HG1 THR A 161 13.246 26.599 21.652 1.00 0.00 H ATOM 1084 H THR A 161 16.034 27.545 21.358 1.00 0.00 H ATOM 1085 N ASP A 162 14.063 30.319 21.114 1.00 10.19 N ATOM 1086 CA ASP A 162 13.507 31.155 22.182 1.00 10.41 C ATOM 1087 C ASP A 162 12.001 31.399 22.072 1.00 10.16 C ATOM 1088 O ASP A 162 11.341 31.645 23.078 1.00 10.03 O ATOM 1089 CB ASP A 162 14.273 32.478 22.309 1.00 11.77 C ATOM 1090 CG ASP A 162 14.133 33.362 21.087 1.00 12.85 C ATOM 1091 OD1 ASP A 162 14.379 34.581 21.223 1.00 13.64 O ATOM 1092 OD2 ASP A 162 13.779 32.852 19.999 1.00 12.65 O ATOM 1093 H ASP A 162 14.771 30.720 20.467 1.00 0.00 H ATOM 1094 N TRP A 163 11.454 31.308 20.862 1.00 9.78 N ATOM 1095 CA TRP A 163 10.024 31.550 20.666 1.00 9.67 C ATOM 1096 C TRP A 163 9.146 30.448 21.270 1.00 8.76 C ATOM 1097 O TRP A 163 7.925 30.593 21.340 1.00 8.63 O ATOM 1098 CB TRP A 163 9.692 31.763 19.185 1.00 10.59 C ATOM 1099 CG TRP A 163 9.747 30.518 18.355 1.00 11.74 C ATOM 1100 CD1 TRP A 163 8.701 29.702 18.035 1.00 11.92 C ATOM 1101 CD2 TRP A 163 10.904 29.955 17.724 1.00 12.60 C ATOM 1102 NE1 TRP A 163 9.137 28.657 17.255 1.00 12.36 N ATOM 1103 CE2 TRP A 163 10.485 28.788 17.051 1.00 12.23 C ATOM 1104 CE3 TRP A 163 12.253 30.321 17.667 1.00 13.24 C ATOM 1105 CZ2 TRP A 163 11.361 27.989 16.327 1.00 13.02 C ATOM 1106 CZ3 TRP A 163 13.127 29.524 16.945 1.00 13.32 C ATOM 1107 CH2 TRP A 163 12.675 28.371 16.283 1.00 13.70 C ATOM 1108 HE1 TRP A 163 8.540 27.892 16.881 1.00 0.00 H ATOM 1109 H TRP A 163 12.050 31.062 20.046 1.00 0.00 H ATOM 1110 N LEU A 164 9.767 29.359 21.720 1.00 7.61 N ATOM 1111 CA LEU A 164 9.028 28.293 22.396 1.00 6.73 C ATOM 1112 C LEU A 164 8.991 28.489 23.915 1.00 6.14 C ATOM 1113 O LEU A 164 8.315 27.738 24.626 1.00 5.79 O ATOM 1114 CB LEU A 164 9.601 26.912 22.052 1.00 6.01 C ATOM 1115 CG LEU A 164 9.601 26.552 20.562 1.00 7.08 C ATOM 1116 CD1 LEU A 164 10.144 25.151 20.343 1.00 7.29 C ATOM 1117 CD2 LEU A 164 8.199 26.702 19.956 1.00 7.15 C ATOM 1118 H LEU A 164 10.794 29.265 21.589 1.00 0.00 H ATOM 1119 N ASP A 165 9.722 29.489 24.406 1.00 5.49 N ATOM 1120 CA ASP A 165 9.714 29.808 25.827 1.00 6.30 C ATOM 1121 C ASP A 165 8.299 30.203 26.231 1.00 6.29 C ATOM 1122 O ASP A 165 7.666 31.012 25.556 1.00 5.40 O ATOM 1123 CB ASP A 165 10.687 30.958 26.146 1.00 7.40 C ATOM 1124 CG ASP A 165 12.155 30.556 25.997 1.00 8.54 C ATOM 1125 OD1 ASP A 165 12.439 29.348 25.874 1.00 8.32 O ATOM 1126 OD2 ASP A 165 13.029 31.454 26.026 1.00 8.68 O ATOM 1127 H ASP A 165 10.311 30.054 23.761 1.00 0.00 H ATOM 1128 N GLY A 166 7.808 29.629 27.326 1.00 6.08 N ATOM 1129 CA GLY A 166 6.462 29.899 27.804 1.00 5.99 C ATOM 1130 C GLY A 166 5.368 29.102 27.102 1.00 6.26 C ATOM 1131 O GLY A 166 4.182 29.243 27.413 1.00 5.85 O ATOM 1132 H GLY A 166 8.407 28.965 27.858 1.00 0.00 H ATOM 1133 N LYS A 167 5.754 28.273 26.142 1.00 6.09 N ATOM 1134 CA LYS A 167 4.784 27.460 25.414 1.00 7.52 C ATOM 1135 C LYS A 167 5.067 25.981 25.592 1.00 7.04 C ATOM 1136 O LYS A 167 4.144 25.169 25.666 1.00 7.22 O ATOM 1137 CB LYS A 167 4.798 27.789 23.920 1.00 9.08 C ATOM 1138 CG LYS A 167 4.172 29.122 23.571 1.00 11.19 C ATOM 1139 CD LYS A 167 4.334 29.420 22.081 1.00 13.07 C ATOM 1140 CE LYS A 167 3.884 30.832 21.792 1.00 13.82 C ATOM 1141 NZ LYS A 167 2.699 31.136 22.631 1.00 13.87 N ATOM 1142 HZ1 LYS A 167 1.935 30.468 22.404 1.00 0.00 H ATOM 1143 HZ2 LYS A 167 2.954 31.045 23.635 1.00 0.00 H ATOM 1144 HZ3 LYS A 167 2.380 32.107 22.440 1.00 0.00 H ATOM 1145 H LYS A 167 6.764 28.201 25.904 1.00 0.00 H ATOM 1146 N HIS A 168 6.352 25.639 25.629 1.00 6.29 N ATOM 1147 CA HIS A 168 6.779 24.254 25.769 1.00 5.30 C ATOM 1148 C HIS A 168 7.619 24.104 27.029 1.00 5.34 C ATOM 1149 O HIS A 168 8.482 24.944 27.311 1.00 6.53 O ATOM 1150 CB HIS A 168 7.572 23.808 24.534 1.00 5.83 C ATOM 1151 CG HIS A 168 6.749 23.751 23.284 1.00 5.61 C ATOM 1152 ND1 HIS A 168 6.189 22.582 22.814 1.00 6.16 N ATOM 1153 CD2 HIS A 168 6.380 24.723 22.413 1.00 5.53 C ATOM 1154 CE1 HIS A 168 5.514 22.832 21.706 1.00 5.82 C ATOM 1155 NE2 HIS A 168 5.612 24.124 21.442 1.00 5.91 N ATOM 1156 H HIS A 168 7.074 26.384 25.556 1.00 0.00 H ATOM 1157 N VAL A 169 7.358 23.045 27.792 1.00 3.97 N ATOM 1158 CA VAL A 169 8.066 22.816 29.046 1.00 3.70 C ATOM 1159 C VAL A 169 9.432 22.184 28.813 1.00 3.57 C ATOM 1160 O VAL A 169 9.531 21.024 28.383 1.00 0.79 O ATOM 1161 CB VAL A 169 7.253 21.922 30.009 1.00 3.74 C ATOM 1162 CG1 VAL A 169 8.018 21.717 31.326 1.00 2.92 C ATOM 1163 CG2 VAL A 169 5.882 22.537 30.273 1.00 4.09 C ATOM 1164 H VAL A 169 6.632 22.365 27.487 1.00 0.00 H ATOM 1165 N VAL A 170 10.476 22.962 29.094 1.00 3.52 N ATOM 1166 CA VAL A 170 11.850 22.478 29.043 1.00 4.17 C ATOM 1167 C VAL A 170 12.122 21.674 30.313 1.00 5.13 C ATOM 1168 O VAL A 170 11.775 22.112 31.416 1.00 4.60 O ATOM 1169 CB VAL A 170 12.850 23.650 28.953 1.00 4.16 C ATOM 1170 CG1 VAL A 170 14.291 23.159 29.095 1.00 4.12 C ATOM 1171 CG2 VAL A 170 12.658 24.411 27.640 1.00 3.56 C ATOM 1172 H VAL A 170 10.304 23.953 29.360 1.00 0.00 H ATOM 1173 N PHE A 171 12.734 20.500 30.170 1.00 5.16 N ATOM 1174 CA PHE A 171 12.936 19.639 31.330 1.00 5.12 C ATOM 1175 C PHE A 171 14.262 18.885 31.334 1.00 6.62 C ATOM 1176 O PHE A 171 14.486 18.025 32.194 1.00 7.69 O ATOM 1177 CB PHE A 171 11.764 18.656 31.484 1.00 3.80 C ATOM 1178 CG PHE A 171 11.667 17.640 30.375 1.00 3.78 C ATOM 1179 CD1 PHE A 171 11.114 17.979 29.146 1.00 4.02 C ATOM 1180 CD2 PHE A 171 12.113 16.340 30.568 1.00 3.10 C ATOM 1181 CE1 PHE A 171 11.025 17.039 28.127 1.00 4.09 C ATOM 1182 CE2 PHE A 171 12.023 15.398 29.561 1.00 2.87 C ATOM 1183 CZ PHE A 171 11.475 15.747 28.336 1.00 4.07 C ATOM 1184 H PHE A 171 13.067 20.197 29.233 1.00 0.00 H ATOM 1185 N GLY A 172 15.144 19.195 30.392 1.00 6.54 N ATOM 1186 CA GLY A 172 16.438 18.542 30.388 1.00 6.59 C ATOM 1187 C GLY A 172 17.390 19.022 29.317 1.00 6.48 C ATOM 1188 O GLY A 172 17.095 19.977 28.601 1.00 6.30 O ATOM 1189 H GLY A 172 14.909 19.899 29.664 1.00 0.00 H ATOM 1190 N HIS A 173 18.536 18.354 29.209 1.00 6.36 N ATOM 1191 CA HIS A 173 19.487 18.642 28.142 1.00 7.09 C ATOM 1192 C HIS A 173 20.429 17.467 27.853 1.00 6.76 C ATOM 1193 O HIS A 173 20.555 16.536 28.659 1.00 6.48 O ATOM 1194 CB HIS A 173 20.266 19.945 28.404 1.00 8.63 C ATOM 1195 CG HIS A 173 21.344 19.827 29.437 1.00 10.17 C ATOM 1196 ND1 HIS A 173 21.129 20.095 30.772 1.00 9.98 N ATOM 1197 CD2 HIS A 173 22.654 19.498 29.326 1.00 10.33 C ATOM 1198 CE1 HIS A 173 22.257 19.922 31.440 1.00 10.68 C ATOM 1199 NE2 HIS A 173 23.198 19.563 30.585 1.00 10.30 N ATOM 1200 H HIS A 173 18.758 17.610 29.901 1.00 0.00 H ATOM 1201 N VAL A 174 21.056 17.516 26.679 1.00 6.74 N ATOM 1202 CA VAL A 174 21.979 16.478 26.219 1.00 6.65 C ATOM 1203 C VAL A 174 23.319 16.549 26.958 1.00 7.77 C ATOM 1204 O VAL A 174 24.021 17.560 26.899 1.00 8.36 O ATOM 1205 CB VAL A 174 22.238 16.597 24.699 1.00 6.54 C ATOM 1206 CG1 VAL A 174 23.284 15.576 24.248 1.00 6.29 C ATOM 1207 CG2 VAL A 174 20.932 16.424 23.916 1.00 6.02 C ATOM 1208 H VAL A 174 20.881 18.332 26.059 1.00 0.00 H ATOM 1209 N ILE A 175 23.654 15.465 27.655 1.00 7.00 N ATOM 1210 CA ILE A 175 24.886 15.359 28.424 1.00 7.01 C ATOM 1211 C ILE A 175 26.004 14.841 27.523 1.00 7.65 C ATOM 1212 O ILE A 175 27.146 15.305 27.580 1.00 7.40 O ATOM 1213 CB ILE A 175 24.690 14.380 29.606 1.00 6.48 C ATOM 1214 CG1 ILE A 175 23.766 14.993 30.672 1.00 6.46 C ATOM 1215 CG2 ILE A 175 26.031 13.960 30.212 1.00 4.70 C ATOM 1216 CD1 ILE A 175 24.403 16.129 31.458 1.00 6.74 C ATOM 1217 H ILE A 175 23.003 14.654 27.650 1.00 0.00 H ATOM 1218 N GLU A 176 25.643 13.892 26.667 1.00 7.65 N ATOM 1219 CA GLU A 176 26.587 13.235 25.777 1.00 7.42 C ATOM 1220 C GLU A 176 25.825 12.801 24.527 1.00 6.82 C ATOM 1221 O GLU A 176 24.642 12.475 24.606 1.00 6.54 O ATOM 1222 CB GLU A 176 27.164 12.014 26.495 1.00 8.07 C ATOM 1223 CG GLU A 176 28.103 11.159 25.691 1.00 8.64 C ATOM 1224 CD GLU A 176 28.322 9.798 26.335 1.00 9.69 C ATOM 1225 OE1 GLU A 176 28.703 9.741 27.535 1.00 8.30 O ATOM 1226 OE2 GLU A 176 28.091 8.787 25.634 1.00 9.64 O ATOM 1227 H GLU A 176 24.644 13.607 26.632 1.00 0.00 H ATOM 1228 N GLY A 177 26.480 12.811 23.372 1.00 6.32 N ATOM 1229 CA GLY A 177 25.860 12.259 22.176 1.00 6.31 C ATOM 1230 C GLY A 177 25.226 13.279 21.244 1.00 6.44 C ATOM 1231 O GLY A 177 24.360 12.943 20.429 1.00 6.34 O ATOM 1232 H GLY A 177 27.437 13.214 23.322 1.00 0.00 H ATOM 1233 N MET A 178 25.661 14.529 21.339 1.00 5.49 N ATOM 1234 CA MET A 178 25.188 15.533 20.404 1.00 6.88 C ATOM 1235 C MET A 178 25.559 15.171 18.953 1.00 7.51 C ATOM 1236 O MET A 178 24.883 15.584 18.015 1.00 7.09 O ATOM 1237 CB MET A 178 25.717 16.917 20.770 1.00 7.24 C ATOM 1238 CG MET A 178 24.977 18.034 20.087 1.00 8.97 C ATOM 1239 SD MET A 178 23.291 18.263 20.720 1.00 17.82 S ATOM 1240 CE MET A 178 22.575 19.105 19.302 1.00 22.09 C ATOM 1241 H MET A 178 26.340 14.789 22.083 1.00 0.00 H ATOM 1242 N ASP A 179 26.616 14.385 18.769 1.00 8.17 N ATOM 1243 CA ASP A 179 26.965 13.915 17.429 1.00 8.23 C ATOM 1244 C ASP A 179 25.832 13.055 16.876 1.00 7.95 C ATOM 1245 O ASP A 179 25.528 13.099 15.675 1.00 8.45 O ATOM 1246 CB ASP A 179 28.280 13.132 17.431 1.00 9.52 C ATOM 1247 CG ASP A 179 28.257 11.944 18.378 1.00 10.49 C ATOM 1248 OD1 ASP A 179 27.879 12.132 19.552 1.00 11.68 O ATOM 1249 OD2 ASP A 179 28.603 10.822 17.946 1.00 10.66 O ATOM 1250 H ASP A 179 27.198 14.103 19.583 1.00 0.00 H ATOM 1251 N VAL A 180 25.200 12.284 17.757 1.00 6.19 N ATOM 1252 CA VAL A 180 24.087 11.438 17.359 1.00 5.71 C ATOM 1253 C VAL A 180 22.900 12.305 16.956 1.00 5.98 C ATOM 1254 O VAL A 180 22.254 12.056 15.930 1.00 5.61 O ATOM 1255 CB VAL A 180 23.669 10.476 18.496 1.00 4.55 C ATOM 1256 CG1 VAL A 180 22.514 9.588 18.062 1.00 4.69 C ATOM 1257 CG2 VAL A 180 24.858 9.634 18.936 1.00 3.78 C ATOM 1258 H VAL A 180 25.508 12.287 18.750 1.00 0.00 H ATOM 1259 N VAL A 181 22.626 13.324 17.767 1.00 5.74 N ATOM 1260 CA VAL A 181 21.575 14.289 17.481 1.00 6.19 C ATOM 1261 C VAL A 181 21.799 14.970 16.130 1.00 6.96 C ATOM 1262 O VAL A 181 20.851 15.217 15.390 1.00 8.74 O ATOM 1263 CB VAL A 181 21.467 15.352 18.604 1.00 7.18 C ATOM 1264 CG1 VAL A 181 20.392 16.375 18.283 1.00 7.74 C ATOM 1265 CG2 VAL A 181 21.183 14.688 19.933 1.00 7.19 C ATOM 1266 H VAL A 181 23.184 13.435 18.638 1.00 0.00 H ATOM 1267 N LYS A 182 23.052 15.253 15.792 1.00 7.52 N ATOM 1268 CA LYS A 182 23.343 15.905 14.515 1.00 8.65 C ATOM 1269 C LYS A 182 23.114 14.959 13.337 1.00 8.68 C ATOM 1270 O LYS A 182 22.637 15.384 12.278 1.00 8.45 O ATOM 1271 CB LYS A 182 24.764 16.474 14.486 1.00 10.16 C ATOM 1272 CG LYS A 182 24.997 17.624 15.476 1.00 10.93 C ATOM 1273 CD LYS A 182 24.084 18.825 15.196 1.00 10.59 C ATOM 1274 CE LYS A 182 24.634 19.715 14.092 1.00 9.89 C ATOM 1275 NZ LYS A 182 23.855 20.978 13.960 1.00 8.70 N ATOM 1276 HZ1 LYS A 182 22.865 20.751 13.735 1.00 0.00 H ATOM 1277 HZ2 LYS A 182 23.896 21.505 14.856 1.00 0.00 H ATOM 1278 HZ3 LYS A 182 24.262 21.556 13.197 1.00 0.00 H ATOM 1279 H LYS A 182 23.830 15.010 16.438 1.00 0.00 H ATOM 1280 N LYS A 183 23.453 13.684 13.518 1.00 9.11 N ATOM 1281 CA LYS A 183 23.155 12.677 12.505 1.00 9.12 C ATOM 1282 C LYS A 183 21.656 12.638 12.276 1.00 8.72 C ATOM 1283 O LYS A 183 21.194 12.729 11.141 1.00 9.58 O ATOM 1284 CB LYS A 183 23.652 11.288 12.923 1.00 9.54 C ATOM 1285 CG LYS A 183 25.175 11.102 12.885 1.00 10.42 C ATOM 1286 CD LYS A 183 25.734 11.141 11.469 1.00 11.76 C ATOM 1287 CE LYS A 183 25.211 9.997 10.603 1.00 12.85 C ATOM 1288 NZ LYS A 183 25.808 10.003 9.227 1.00 13.45 N ATOM 1289 HZ1 LYS A 183 25.574 10.899 8.753 1.00 0.00 H ATOM 1290 HZ2 LYS A 183 26.841 9.907 9.298 1.00 0.00 H ATOM 1291 HZ3 LYS A 183 25.421 9.208 8.679 1.00 0.00 H ATOM 1292 H LYS A 183 23.937 13.402 14.394 1.00 0.00 H ATOM 1293 N ILE A 184 20.893 12.509 13.358 1.00 7.46 N ATOM 1294 CA ILE A 184 19.436 12.493 13.251 1.00 7.67 C ATOM 1295 C ILE A 184 18.919 13.715 12.491 1.00 9.28 C ATOM 1296 O ILE A 184 18.101 13.587 11.567 1.00 9.95 O ATOM 1297 CB ILE A 184 18.767 12.435 14.638 1.00 7.01 C ATOM 1298 CG1 ILE A 184 19.059 11.095 15.318 1.00 6.43 C ATOM 1299 CG2 ILE A 184 17.264 12.645 14.507 1.00 6.36 C ATOM 1300 CD1 ILE A 184 18.596 11.030 16.757 1.00 6.01 C ATOM 1301 H ILE A 184 21.340 12.418 14.293 1.00 0.00 H ATOM 1302 N GLU A 185 19.416 14.888 12.880 1.00 9.35 N ATOM 1303 CA GLU A 185 19.064 16.155 12.241 1.00 10.17 C ATOM 1304 C GLU A 185 19.324 16.135 10.736 1.00 11.69 C ATOM 1305 O GLU A 185 18.512 16.633 9.955 1.00 12.63 O ATOM 1306 CB GLU A 185 19.838 17.309 12.883 1.00 10.10 C ATOM 1307 CG GLU A 185 19.491 18.682 12.315 1.00 9.64 C ATOM 1308 CD GLU A 185 20.380 19.789 12.853 1.00 9.23 C ATOM 1309 OE1 GLU A 185 21.550 19.510 13.180 1.00 8.53 O ATOM 1310 OE2 GLU A 185 19.909 20.946 12.941 1.00 9.04 O ATOM 1311 H GLU A 185 20.086 14.903 13.675 1.00 0.00 H ATOM 1312 N SER A 186 20.451 15.549 10.335 1.00 11.77 N ATOM 1313 CA SER A 186 20.823 15.479 8.922 1.00 11.54 C ATOM 1314 C SER A 186 19.869 14.617 8.088 1.00 10.63 C ATOM 1315 O SER A 186 19.875 14.673 6.854 1.00 9.59 O ATOM 1316 CB SER A 186 22.262 14.969 8.763 1.00 11.63 C ATOM 1317 OG SER A 186 22.341 13.557 8.920 1.00 11.90 O ATOM 1318 HG SER A 186 22.020 13.308 9.823 1.00 0.00 H ATOM 1319 H SER A 186 21.084 15.130 11.046 1.00 0.00 H ATOM 1320 N PHE A 187 19.054 13.817 8.759 1.00 10.25 N ATOM 1321 CA PHE A 187 18.106 12.966 8.053 1.00 10.81 C ATOM 1322 C PHE A 187 16.717 13.601 8.059 1.00 11.01 C ATOM 1323 O PHE A 187 15.719 12.947 7.732 1.00 9.19 O ATOM 1324 CB PHE A 187 18.047 11.576 8.684 1.00 11.73 C ATOM 1325 CG PHE A 187 19.381 10.908 8.803 1.00 13.08 C ATOM 1326 CD1 PHE A 187 20.347 11.077 7.829 1.00 13.78 C ATOM 1327 CD2 PHE A 187 19.671 10.110 9.900 1.00 13.75 C ATOM 1328 CE1 PHE A 187 21.583 10.458 7.944 1.00 14.58 C ATOM 1329 CE2 PHE A 187 20.903 9.488 10.021 1.00 14.06 C ATOM 1330 CZ PHE A 187 21.858 9.663 9.040 1.00 14.66 C ATOM 1331 H PHE A 187 19.091 13.796 9.798 1.00 0.00 H ATOM 1332 N GLY A 188 16.661 14.876 8.432 1.00 11.05 N ATOM 1333 CA GLY A 188 15.403 15.589 8.452 1.00 11.83 C ATOM 1334 C GLY A 188 15.151 16.297 7.140 1.00 13.00 C ATOM 1335 O GLY A 188 15.858 16.077 6.157 1.00 13.35 O ATOM 1336 H GLY A 188 17.534 15.367 8.713 1.00 0.00 H ATOM 1337 N SER A 189 14.129 17.142 7.121 1.00 12.96 N ATOM 1338 CA SER A 189 13.816 17.936 5.940 1.00 13.18 C ATOM 1339 C SER A 189 13.007 19.138 6.366 1.00 12.79 C ATOM 1340 O SER A 189 12.570 19.230 7.511 1.00 12.08 O ATOM 1341 CB SER A 189 13.014 17.121 4.928 1.00 14.04 C ATOM 1342 OG SER A 189 11.670 16.968 5.358 1.00 14.78 O ATOM 1343 HG SER A 189 11.655 16.500 6.230 1.00 0.00 H ATOM 1344 H SER A 189 13.536 17.240 7.970 1.00 0.00 H ATOM 1345 N LYS A 190 12.799 20.052 5.429 1.00 12.75 N ATOM 1346 CA LYS A 190 12.058 21.271 5.696 1.00 12.88 C ATOM 1347 C LYS A 190 10.656 20.977 6.238 1.00 12.27 C ATOM 1348 O LYS A 190 10.200 21.600 7.198 1.00 12.00 O ATOM 1349 CB LYS A 190 11.968 22.076 4.407 1.00 13.75 C ATOM 1350 CG LYS A 190 11.829 23.556 4.622 1.00 14.97 C ATOM 1351 CD LYS A 190 11.863 24.277 3.288 1.00 16.14 C ATOM 1352 CE LYS A 190 13.153 23.990 2.530 1.00 16.71 C ATOM 1353 NZ LYS A 190 14.329 24.516 3.279 1.00 17.14 N ATOM 1354 HZ1 LYS A 190 14.230 25.544 3.400 1.00 0.00 H ATOM 1355 HZ2 LYS A 190 14.377 24.059 4.212 1.00 0.00 H ATOM 1356 HZ3 LYS A 190 15.198 24.310 2.746 1.00 0.00 H ATOM 1357 H LYS A 190 13.178 19.891 4.474 1.00 0.00 H ATOM 1358 N SER A 191 9.984 20.006 5.632 1.00 12.84 N ATOM 1359 CA SER A 191 8.632 19.643 6.039 1.00 12.92 C ATOM 1360 C SER A 191 8.615 18.832 7.326 1.00 12.16 C ATOM 1361 O SER A 191 7.557 18.621 7.916 1.00 11.45 O ATOM 1362 CB SER A 191 7.958 18.824 4.944 1.00 14.15 C ATOM 1363 OG SER A 191 8.523 17.530 4.885 1.00 14.86 O ATOM 1364 HG SER A 191 9.490 17.602 4.688 1.00 0.00 H ATOM 1365 H SER A 191 10.433 19.491 4.848 1.00 0.00 H ATOM 1366 N GLY A 192 9.778 18.359 7.752 1.00 12.01 N ATOM 1367 CA GLY A 192 9.843 17.519 8.933 1.00 12.17 C ATOM 1368 C GLY A 192 9.892 16.029 8.628 1.00 13.10 C ATOM 1369 O GLY A 192 10.258 15.247 9.505 1.00 12.82 O ATOM 1370 H GLY A 192 10.650 18.592 7.236 1.00 0.00 H ATOM 1371 N ARG A 193 9.533 15.635 7.406 1.00 13.74 N ATOM 1372 CA ARG A 193 9.587 14.227 7.001 1.00 15.50 C ATOM 1373 C ARG A 193 11.031 13.720 6.997 1.00 13.46 C ATOM 1374 O ARG A 193 11.934 14.395 6.483 1.00 13.07 O ATOM 1375 CB ARG A 193 8.959 14.031 5.600 1.00 19.30 C ATOM 1376 CG ARG A 193 9.212 12.666 4.951 1.00 23.56 C ATOM 1377 CD ARG A 193 8.837 11.510 5.867 1.00 27.42 C ATOM 1378 NE ARG A 193 8.949 10.204 5.222 1.00 30.92 N ATOM 1379 CZ ARG A 193 7.910 9.523 4.719 1.00 34.04 C ATOM 1380 NH1 ARG A 193 6.698 10.057 4.792 1.00 35.20 N ATOM 1381 NH2 ARG A 193 8.097 8.324 4.149 1.00 35.25 N ATOM 1382 HE ARG A 193 9.894 9.776 5.149 1.00 0.00 H ATOM 1383 HH12 ARG A 193 5.880 9.544 4.407 1.00 0.00 H ATOM 1384 HH11 ARG A 193 6.566 10.989 5.234 1.00 0.00 H ATOM 1385 HH22 ARG A 193 7.286 7.801 3.761 1.00 0.00 H ATOM 1386 HH21 ARG A 193 9.053 7.917 4.095 1.00 0.00 H ATOM 1387 H ARG A 193 9.206 16.346 6.721 1.00 0.00 H ATOM 1388 N THR A 194 11.247 12.533 7.579 1.00 12.79 N ATOM 1389 CA THR A 194 12.590 11.965 7.661 1.00 12.05 C ATOM 1390 C THR A 194 12.940 11.135 6.424 1.00 11.53 C ATOM 1391 O THR A 194 12.074 10.482 5.836 1.00 10.48 O ATOM 1392 CB THR A 194 12.790 11.081 8.909 1.00 12.07 C ATOM 1393 OG1 THR A 194 11.816 10.028 8.910 1.00 11.04 O ATOM 1394 CG2 THR A 194 12.653 11.908 10.185 1.00 12.22 C ATOM 1395 HG1 THR A 194 10.907 10.421 8.925 1.00 0.00 H ATOM 1396 H THR A 194 10.444 12.007 7.979 1.00 0.00 H ATOM 1397 N SER A 195 14.213 11.159 6.043 1.00 11.67 N ATOM 1398 CA SER A 195 14.671 10.433 4.863 1.00 12.77 C ATOM 1399 C SER A 195 15.273 9.087 5.241 1.00 12.93 C ATOM 1400 O SER A 195 15.693 8.314 4.378 1.00 13.14 O ATOM 1401 CB SER A 195 15.669 11.269 4.054 1.00 13.34 C ATOM 1402 OG SER A 195 16.745 11.723 4.858 1.00 13.75 O ATOM 1403 HG SER A 195 17.367 12.257 4.304 1.00 0.00 H ATOM 1404 H SER A 195 14.899 11.708 6.599 1.00 0.00 H ATOM 1405 N LYS A 196 15.320 8.819 6.540 1.00 12.43 N ATOM 1406 CA LYS A 196 15.716 7.516 7.042 1.00 12.33 C ATOM 1407 C LYS A 196 14.768 7.130 8.161 1.00 11.53 C ATOM 1408 O LYS A 196 14.148 8.000 8.782 1.00 11.42 O ATOM 1409 CB LYS A 196 17.163 7.539 7.545 1.00 13.23 C ATOM 1410 CG LYS A 196 18.189 7.887 6.472 1.00 13.91 C ATOM 1411 CD LYS A 196 19.610 7.573 6.928 1.00 14.99 C ATOM 1412 CE LYS A 196 20.583 7.626 5.744 1.00 16.01 C ATOM 1413 NZ LYS A 196 21.909 7.042 6.101 1.00 16.18 N ATOM 1414 HZ1 LYS A 196 22.321 7.578 6.891 1.00 0.00 H ATOM 1415 HZ2 LYS A 196 21.785 6.048 6.382 1.00 0.00 H ATOM 1416 HZ3 LYS A 196 22.542 7.094 5.278 1.00 0.00 H ATOM 1417 H LYS A 196 15.065 9.565 7.219 1.00 0.00 H ATOM 1418 N LYS A 197 14.639 5.838 8.413 1.00 10.52 N ATOM 1419 CA LYS A 197 13.790 5.355 9.491 1.00 10.62 C ATOM 1420 C LYS A 197 14.556 5.419 10.820 1.00 9.59 C ATOM 1421 O LYS A 197 15.477 4.642 11.067 1.00 10.35 O ATOM 1422 CB LYS A 197 13.263 3.952 9.223 1.00 11.51 C ATOM 1423 CG LYS A 197 12.283 3.491 10.285 1.00 12.17 C ATOM 1424 CD LYS A 197 11.755 2.096 10.012 1.00 12.32 C ATOM 1425 CE LYS A 197 10.802 1.654 11.110 1.00 12.69 C ATOM 1426 NZ LYS A 197 10.295 0.278 10.851 1.00 13.04 N ATOM 1427 HZ1 LYS A 197 9.790 0.261 9.942 1.00 0.00 H ATOM 1428 HZ2 LYS A 197 11.096 -0.384 10.816 1.00 0.00 H ATOM 1429 HZ3 LYS A 197 9.646 -0.001 11.615 1.00 0.00 H ATOM 1430 H LYS A 197 15.156 5.152 7.827 1.00 0.00 H ATOM 1431 N ILE A 198 14.170 6.353 11.670 1.00 8.82 N ATOM 1432 CA ILE A 198 14.936 6.638 12.879 1.00 9.08 C ATOM 1433 C ILE A 198 14.239 6.069 14.113 1.00 8.24 C ATOM 1434 O ILE A 198 13.187 6.551 14.512 1.00 8.57 O ATOM 1435 CB ILE A 198 15.157 8.155 13.019 1.00 9.28 C ATOM 1436 CG1 ILE A 198 15.715 8.710 11.703 1.00 9.46 C ATOM 1437 CG2 ILE A 198 16.079 8.469 14.201 1.00 8.28 C ATOM 1438 CD1 ILE A 198 15.757 10.222 11.636 1.00 10.31 C ATOM 1439 H ILE A 198 13.304 6.895 11.474 1.00 0.00 H ATOM 1440 N VAL A 199 14.832 5.036 14.703 1.00 7.50 N ATOM 1441 CA VAL A 199 14.181 4.294 15.773 1.00 8.72 C ATOM 1442 C VAL A 199 14.975 4.310 17.081 1.00 10.15 C ATOM 1443 O VAL A 199 16.196 4.144 17.081 1.00 10.90 O ATOM 1444 CB VAL A 199 13.918 2.818 15.356 1.00 6.85 C ATOM 1445 CG1 VAL A 199 13.203 2.065 16.475 1.00 6.43 C ATOM 1446 CG2 VAL A 199 13.107 2.765 14.055 1.00 6.57 C ATOM 1447 H VAL A 199 15.783 4.751 14.393 1.00 0.00 H ATOM 1448 N ILE A 200 14.273 4.534 18.189 1.00 10.83 N ATOM 1449 CA ILE A 200 14.834 4.355 19.518 1.00 10.10 C ATOM 1450 C ILE A 200 14.791 2.856 19.824 1.00 9.88 C ATOM 1451 O ILE A 200 13.745 2.323 20.195 1.00 11.37 O ATOM 1452 CB ILE A 200 14.029 5.155 20.580 1.00 6.85 C ATOM 1453 CG1 ILE A 200 14.097 6.660 20.287 1.00 6.39 C ATOM 1454 CG2 ILE A 200 14.548 4.875 21.985 1.00 6.68 C ATOM 1455 CD1 ILE A 200 13.096 7.483 21.067 1.00 4.53 C ATOM 1456 H ILE A 200 13.286 4.849 18.101 1.00 0.00 H ATOM 1457 N THR A 201 15.914 2.169 19.646 1.00 7.76 N ATOM 1458 CA THR A 201 15.917 0.713 19.774 1.00 8.24 C ATOM 1459 C THR A 201 15.930 0.264 21.232 1.00 8.33 C ATOM 1460 O THR A 201 15.378 -0.788 21.575 1.00 8.07 O ATOM 1461 CB THR A 201 17.126 0.065 19.046 1.00 9.33 C ATOM 1462 OG1 THR A 201 18.352 0.490 19.657 1.00 9.39 O ATOM 1463 CG2 THR A 201 17.136 0.450 17.582 1.00 8.93 C ATOM 1464 HG1 THR A 201 18.358 0.215 20.608 1.00 0.00 H ATOM 1465 H THR A 201 16.796 2.670 19.414 1.00 0.00 H ATOM 1466 N ASP A 202 16.592 1.053 22.075 1.00 7.88 N ATOM 1467 CA ASP A 202 16.698 0.756 23.493 1.00 8.76 C ATOM 1468 C ASP A 202 16.754 2.081 24.243 1.00 7.63 C ATOM 1469 O ASP A 202 17.237 3.084 23.716 1.00 7.52 O ATOM 1470 CB ASP A 202 17.978 -0.037 23.796 1.00 10.28 C ATOM 1471 CG ASP A 202 18.100 -1.309 22.980 1.00 11.37 C ATOM 1472 OD1 ASP A 202 17.639 -2.370 23.455 1.00 11.42 O ATOM 1473 OD2 ASP A 202 18.671 -1.249 21.868 1.00 11.81 O ATOM 1474 H ASP A 202 17.049 1.911 21.706 1.00 0.00 H ATOM 1475 N CYS A 203 16.276 2.075 25.481 1.00 6.30 N ATOM 1476 CA CYS A 203 16.364 3.246 26.340 1.00 5.35 C ATOM 1477 C CYS A 203 16.278 2.812 27.799 1.00 5.45 C ATOM 1478 O CYS A 203 15.831 1.709 28.093 1.00 5.55 O ATOM 1479 CB CYS A 203 15.259 4.248 25.993 1.00 5.19 C ATOM 1480 SG CYS A 203 13.648 3.489 25.698 1.00 5.78 S ATOM 1481 H CYS A 203 15.827 1.211 25.847 1.00 0.00 H ATOM 1482 N GLY A 204 16.725 3.667 28.713 1.00 5.18 N ATOM 1483 CA GLY A 204 16.701 3.330 30.127 1.00 4.36 C ATOM 1484 C GLY A 204 17.333 4.395 31.004 1.00 3.90 C ATOM 1485 O GLY A 204 17.650 5.488 30.536 1.00 2.67 O ATOM 1486 H GLY A 204 17.097 4.590 28.412 1.00 0.00 H ATOM 1487 N GLN A 205 17.509 4.068 32.280 1.00 3.89 N ATOM 1488 CA GLN A 205 18.068 4.995 33.255 1.00 4.21 C ATOM 1489 C GLN A 205 19.485 4.584 33.632 1.00 6.16 C ATOM 1490 O GLN A 205 19.741 3.412 33.944 1.00 5.89 O ATOM 1491 CB GLN A 205 17.190 5.035 34.509 1.00 3.08 C ATOM 1492 CG GLN A 205 17.655 6.008 35.589 1.00 4.05 C ATOM 1493 CD GLN A 205 16.567 6.275 36.617 1.00 4.16 C ATOM 1494 OE1 GLN A 205 15.587 5.533 36.696 1.00 3.72 O ATOM 1495 NE2 GLN A 205 16.725 7.349 37.396 1.00 3.46 N ATOM 1496 HE22 GLN A 205 17.570 7.946 37.293 1.00 0.00 H ATOM 1497 HE21 GLN A 205 16.003 7.587 38.106 1.00 0.00 H ATOM 1498 H GLN A 205 17.237 3.115 32.594 1.00 0.00 H ATOM 1499 N LEU A 206 20.401 5.550 33.606 1.00 5.77 N ATOM 1500 CA LEU A 206 21.790 5.294 33.971 1.00 5.87 C ATOM 1501 C LEU A 206 22.027 5.559 35.460 1.00 5.28 C ATOM 1502 O LEU A 206 22.799 4.849 36.113 1.00 4.00 O ATOM 1503 CB LEU A 206 22.728 6.160 33.125 1.00 5.25 C ATOM 1504 CG LEU A 206 22.737 5.849 31.627 1.00 6.33 C ATOM 1505 CD1 LEU A 206 23.571 6.882 30.853 1.00 6.69 C ATOM 1506 CD2 LEU A 206 23.254 4.433 31.356 1.00 6.81 C ATOM 1507 H LEU A 206 20.120 6.509 33.319 1.00 0.00 H ATOM 1508 N SER A 207 21.362 6.587 35.984 1.00 5.52 N ATOM 1509 CA SER A 207 21.502 6.966 37.389 1.00 5.86 C ATOM 1510 C SER A 207 20.334 7.843 37.819 1.00 7.34 C ATOM 1511 O SER A 207 20.146 8.135 39.010 1.00 6.93 O ATOM 1512 CB SER A 207 22.832 7.692 37.630 1.00 5.27 C ATOM 1513 OG SER A 207 22.916 8.907 36.888 1.00 4.58 O ATOM 1514 OXT SER A 207 19.549 8.280 36.969 1.00 8.04 O ATOM 1515 HG SER A 207 22.179 9.510 37.160 1.00 0.00 H ATOM 1516 H SER A 207 20.723 7.137 35.375 1.00 0.00 H TER 1517 SER A 207 HETATM 1518 O HOH 1 16.197 12.328 41.219 1.00 12.25 O HETATM 1519 O HOH 2 21.775 -0.803 18.933 1.00 31.99 O HETATM 1520 O HOH 3 28.499 9.646 9.607 1.00 22.70 O HETATM 1521 O HOH 4 27.694 6.597 12.732 1.00 27.23 O HETATM 1522 O HOH 5 28.408 0.237 14.473 1.00 12.23 O HETATM 1523 O HOH 6 -2.360 30.045 25.411 1.00 28.57 O HETATM 1524 O HOH 7 21.565 -0.925 24.589 1.00 31.00 O HETATM 1525 O HOH 8 24.656 1.803 19.808 1.00 10.74 O HETATM 1526 O HOH 9 -4.763 28.486 23.790 1.00 19.37 O HETATM 1527 O HOH 10 20.600 1.577 18.101 1.00 10.29 O HETATM 1528 O HOH 11 16.064 0.153 13.589 1.00 19.34 O HETATM 1529 O HOH 12 11.127 16.394 43.646 1.00 10.60 O HETATM 1530 O HOH 13 14.108 4.373 5.101 1.00 13.67 O HETATM 1531 O HOH 14 12.116 14.228 42.042 1.00 9.31 O HETATM 1532 O HOH 15 8.845 12.856 41.617 1.00 24.60 O HETATM 1533 O HOH 16 21.636 7.787 41.235 1.00 15.70 O HETATM 1534 O HOH 17 14.301 -0.249 9.078 1.00 32.84 O HETATM 1535 O HOH 18 14.270 10.572 40.353 1.00 7.50 O HETATM 1536 O HOH 19 7.827 9.885 41.685 1.00 28.75 O HETATM 1537 O HOH 20 12.592 9.808 42.429 1.00 10.21 O HETATM 1538 O HOH 21 24.701 -6.852 12.914 1.00 28.84 O HETATM 1539 O HOH 22 25.243 3.935 11.714 1.00 15.92 O HETATM 1540 O HOH 23 27.593 2.876 15.289 1.00 14.08 O HETATM 1541 O HOH 24 22.693 3.059 18.700 1.00 6.78 O HETATM 1542 O HOH 25 7.034 2.086 41.370 1.00 23.03 O HETATM 1543 O HOH 26 26.245 5.534 28.612 1.00 16.33 O HETATM 1544 O HOH 27 27.344 7.122 21.213 1.00 12.77 O HETATM 1545 O HOH 28 6.015 14.011 7.417 1.00 12.55 O HETATM 1546 O HOH 29 11.882 -0.819 13.418 1.00 32.33 O HETATM 1547 O HOH 30 19.999 21.886 37.828 1.00 41.10 O HETATM 1548 O HOH 31 10.171 24.147 40.186 1.00 22.04 O HETATM 1549 O HOH 32 -1.982 9.505 9.359 1.00 10.37 O HETATM 1550 O HOH 33 20.650 30.774 30.367 1.00 19.04 O HETATM 1551 O HOH 34 11.008 13.481 39.819 1.00 8.83 O HETATM 1552 O HOH 35 6.032 16.427 42.326 1.00 11.52 O HETATM 1553 O HOH 36 7.852 14.067 30.484 1.00 5.58 O HETATM 1554 O HOH 37 4.938 19.738 32.103 1.00 3.36 O HETATM 1555 O HOH 38 10.974 8.246 40.808 1.00 19.30 O HETATM 1556 O HOH 39 12.146 11.356 38.453 1.00 10.28 O HETATM 1557 O HOH 40 6.305 7.026 39.090 1.00 12.86 O HETATM 1558 O HOH 41 1.149 27.519 33.736 1.00 32.23 O HETATM 1559 O HOH 42 3.344 21.714 39.342 1.00 15.37 O HETATM 1560 O HOH 43 17.822 30.982 30.676 1.00 10.06 O HETATM 1561 O HOH 44 10.748 1.947 27.108 1.00 9.27 O HETATM 1562 O HOH 45 12.958 0.414 27.940 1.00 9.37 O HETATM 1563 O HOH 46 -1.279 21.033 17.617 1.00 20.71 O HETATM 1564 O HOH 47 11.182 -1.870 32.957 1.00 13.85 O HETATM 1565 O HOH 48 12.465 -2.186 28.639 1.00 15.71 O HETATM 1566 O HOH 49 -4.343 27.841 29.778 1.00 22.33 O HETATM 1567 O HOH 50 7.788 -1.476 29.009 1.00 14.14 O HETATM 1568 O HOH 51 9.349 -3.340 32.058 1.00 27.71 O HETATM 1569 O HOH 52 11.082 3.034 39.928 1.00 14.44 O HETATM 1570 O HOH 53 7.202 2.386 38.833 1.00 10.61 O HETATM 1571 O HOH 54 25.197 21.603 18.514 1.00 12.67 O HETATM 1572 O HOH 55 6.772 3.059 31.737 1.00 6.32 O HETATM 1573 O HOH 56 18.828 6.824 2.496 1.00 26.64 O HETATM 1574 O HOH 57 5.221 0.844 24.544 1.00 8.44 O HETATM 1575 O HOH 58 8.642 0.326 27.059 1.00 8.46 O HETATM 1576 O HOH 59 27.410 -0.864 18.497 1.00 32.30 O HETATM 1577 O HOH 60 7.943 0.146 24.081 1.00 13.90 O HETATM 1578 O HOH 61 15.287 -0.731 26.025 1.00 15.30 O HETATM 1579 O HOH 62 20.103 24.399 33.117 1.00 14.63 O HETATM 1580 O HOH 63 27.935 4.593 25.268 1.00 25.56 O HETATM 1581 O HOH 64 6.866 6.143 16.844 1.00 13.23 O HETATM 1582 O HOH 65 7.616 7.473 12.361 1.00 16.58 O HETATM 1583 O HOH 66 7.165 9.256 17.270 1.00 4.91 O HETATM 1584 O HOH 67 16.407 0.794 35.452 1.00 9.70 O HETATM 1585 O HOH 68 11.906 8.228 11.268 1.00 6.16 O HETATM 1586 O HOH 69 9.136 11.109 9.189 1.00 1.63 O HETATM 1587 O HOH 70 3.707 15.572 15.511 1.00 8.29 O HETATM 1588 O HOH 71 6.831 14.703 9.895 1.00 14.45 O HETATM 1589 O HOH 72 21.344 18.924 9.070 1.00 25.43 O HETATM 1590 O HOH 73 14.988 14.639 2.412 1.00 19.21 O HETATM 1591 O HOH 74 17.130 33.063 28.876 1.00 17.80 O HETATM 1592 O HOH 75 17.565 32.227 26.260 1.00 30.52 O HETATM 1593 O HOH 76 15.168 23.467 7.679 1.00 25.03 O HETATM 1594 O HOH 77 22.201 22.016 9.617 1.00 26.99 O HETATM 1595 O HOH 78 13.115 -1.918 17.610 1.00 30.38 O HETATM 1596 O HOH 79 18.547 4.644 39.531 1.00 15.82 O HETATM 1597 O HOH 80 -3.406 3.504 17.815 1.00 27.22 O HETATM 1598 O HOH 81 -3.856 16.444 23.184 1.00 16.75 O HETATM 1599 O HOH 82 5.997 9.047 11.002 1.00 21.21 O HETATM 1600 O HOH 83 4.726 13.758 11.405 1.00 13.10 O HETATM 1601 O HOH 84 4.248 11.089 10.779 1.00 13.34 O HETATM 1602 O HOH 85 0.356 12.541 11.957 1.00 4.46 O HETATM 1603 O HOH 86 -4.087 9.320 14.007 1.00 7.49 O HETATM 1604 O HOH 87 2.224 12.783 23.422 1.00 6.09 O HETATM 1605 O HOH 88 -6.493 12.661 25.573 1.00 20.58 O HETATM 1606 O HOH 89 -3.606 6.878 29.146 1.00 14.12 O HETATM 1607 O HOH 90 2.813 18.982 35.514 1.00 6.70 O HETATM 1608 O HOH 91 0.087 26.290 30.632 1.00 4.42 O HETATM 1609 O HOH 92 2.720 26.280 34.394 1.00 31.74 O HETATM 1610 O HOH 93 0.830 23.294 36.386 1.00 18.61 O HETATM 1611 O HOH 94 1.225 21.496 26.856 1.00 6.35 O HETATM 1612 O HOH 95 5.814 20.546 40.220 1.00 14.20 O HETATM 1613 O HOH 96 7.648 23.577 41.461 1.00 21.62 O HETATM 1614 O HOH 97 6.533 24.578 39.239 1.00 19.99 O HETATM 1615 O HOH 98 10.885 24.391 32.970 1.00 6.85 O HETATM 1616 O HOH 99 5.987 29.287 34.856 1.00 13.31 O HETATM 1617 O HOH 100 9.116 30.426 36.367 1.00 15.96 O HETATM 1618 O HOH 101 10.008 27.127 39.049 1.00 10.81 O HETATM 1619 O HOH 102 13.301 31.671 34.733 1.00 11.07 O HETATM 1620 O HOH 103 10.242 25.333 30.518 1.00 7.86 O HETATM 1621 O HOH 104 17.422 25.068 29.526 1.00 12.31 O HETATM 1622 O HOH 105 10.006 33.112 28.775 1.00 20.23 O HETATM 1623 O HOH 106 16.993 28.339 31.380 1.00 3.17 O HETATM 1624 O HOH 107 20.274 31.776 25.921 1.00 29.51 O HETATM 1625 O HOH 108 22.203 29.458 21.849 1.00 31.58 O HETATM 1626 O HOH 109 19.153 21.869 31.691 1.00 8.65 O HETATM 1627 O HOH 110 4.013 15.557 24.836 1.00 4.38 O HETATM 1628 O HOH 111 2.285 22.794 19.643 1.00 22.13 O HETATM 1629 O HOH 112 2.056 25.127 22.203 1.00 15.75 O HETATM 1630 O HOH 113 -1.202 24.161 34.192 1.00 15.33 O HETATM 1631 O HOH 114 -2.272 26.938 31.659 1.00 25.49 O HETATM 1632 O HOH 115 4.885 21.596 26.990 1.00 8.30 O HETATM 1633 O HOH 116 23.509 22.099 16.387 1.00 15.15 O HETATM 1634 O HOH 117 16.676 25.713 22.447 1.00 9.85 O HETATM 1635 O HOH 118 15.647 31.501 18.883 1.00 22.80 O HETATM 1636 O HOH 119 16.746 6.014 3.541 1.00 15.85 O HETATM 1637 O HOH 120 13.585 36.919 20.204 1.00 24.35 O HETATM 1638 O HOH 121 15.653 31.088 25.007 1.00 8.20 O HETATM 1639 O HOH 122 1.605 28.481 27.397 1.00 8.38 O HETATM 1640 O HOH 123 3.765 31.314 29.283 1.00 8.16 O HETATM 1641 O HOH 124 1.807 25.643 26.756 1.00 4.40 O HETATM 1642 O HOH 125 3.740 25.456 20.173 1.00 10.21 O HETATM 1643 O HOH 126 9.692 27.367 28.284 1.00 1.89 O HETATM 1644 O HOH 127 -2.130 9.482 38.070 1.00 22.49 O HETATM 1645 O HOH 128 29.815 14.011 27.779 1.00 18.91 O HETATM 1646 O HOH 129 30.485 7.772 28.345 1.00 8.21 O HETATM 1647 O HOH 130 29.769 11.642 29.107 1.00 6.02 O HETATM 1648 O HOH 131 27.405 9.078 23.041 1.00 10.73 O HETATM 1649 O HOH 132 30.175 7.761 23.948 1.00 33.85 O HETATM 1650 O HOH 133 27.606 6.638 26.852 1.00 15.95 O HETATM 1651 O HOH 134 27.363 13.904 13.862 1.00 10.39 O HETATM 1652 O HOH 135 28.770 10.017 15.140 1.00 20.61 O HETATM 1653 O HOH 136 26.109 14.809 11.549 1.00 14.36 O HETATM 1654 O HOH 137 22.841 17.956 11.304 1.00 6.78 O HETATM 1655 O HOH 138 8.910 25.492 3.907 1.00 19.67 O HETATM 1656 O HOH 139 7.772 22.261 8.647 1.00 21.27 O HETATM 1657 O HOH 140 10.531 18.987 2.991 1.00 23.74 O HETATM 1658 O HOH 141 12.909 13.774 3.933 1.00 23.70 O HETATM 1659 O HOH 142 11.144 7.590 7.329 1.00 16.62 O HETATM 1660 O HOH 143 12.845 6.871 5.392 1.00 31.33 O HETATM 1661 O HOH 144 17.467 14.244 4.873 1.00 13.58 O HETATM 1662 O HOH 145 23.256 6.891 8.842 1.00 25.77 O HETATM 1663 O HOH 146 20.804 4.353 5.371 1.00 16.42 O HETATM 1664 O HOH 147 13.348 -1.978 20.156 1.00 15.41 O HETATM 1665 O HOH 148 20.748 0.931 32.903 1.00 21.26 O HETATM 1666 O HOH 149 19.823 2.671 36.697 1.00 11.75 O HETATM 1667 O HOH 150 15.229 2.797 37.164 1.00 6.34 O HETATM 1668 O HOH 151 16.735 1.433 32.860 1.00 3.12 O HETATM 1669 O HOH 152 22.569 2.512 37.719 1.00 16.64 O HETATM 1670 O HOH 153 18.443 9.829 39.874 1.00 11.26 O HETATM 1671 O HOH 154 14.846 14.965 42.354 1.00 19.02 O HETATM 1672 O HOH 155 24.745 2.030 22.408 1.00 17.54 O HETATM 1673 O HOH 156 12.667 33.750 27.461 1.00 20.52 O HETATM 1674 O HOH 157 24.950 20.829 23.234 1.00 31.37 O HETATM 1675 O HOH 158 14.446 19.948 2.926 1.00 22.28 O HETATM 1676 O HOH 159 6.190 17.462 10.044 1.00 19.67 O HETATM 1677 O HOH 160 22.275 11.074 38.601 1.00 13.50 O HETATM 1678 O HOH 161 12.164 12.093 43.624 1.00 25.33 O HETATM 1679 O HOH 162 18.622 -3.234 20.520 1.00 40.23 O HETATM 1680 O HOH 163 18.584 -3.898 12.121 1.00 32.31 O HETATM 1681 O HOH 164 14.862 25.385 9.812 1.00 26.30 O HETATM 1682 O HOH 165 22.083 25.360 12.495 1.00 20.66 O HETATM 1683 O HOH 166 21.534 28.634 18.515 1.00 24.74 O HETATM 1684 O HOH 167 17.551 22.533 29.566 1.00 16.83 O HETATM 1685 O HOH 168 -1.451 6.689 30.793 1.00 15.95 O HETATM 1686 O HOH 169 29.011 10.736 21.625 1.00 13.01 O HETATM 1687 O HOH 170 15.793 1.813 11.750 1.00 11.12 O HETATM 1688 O HOH 171 18.617 12.278 44.637 1.00 12.07 O HETATM 1689 O HOH 172 5.385 12.458 39.646 1.00 19.21 O HETATM 1690 O HOH 173 6.733 1.387 20.225 1.00 31.76 O HETATM 1691 O HOH 174 23.030 21.762 34.458 1.00 15.73 O HETATM 1692 O HOH 175 0.936 26.327 24.209 1.00 19.79 O HETATM 1693 O HOH 176 2.277 14.264 40.335 1.00 15.23 O HETATM 1694 O HOH 177 16.775 16.556 41.633 1.00 11.40 O HETATM 1695 O HOH 178 21.565 23.125 13.691 1.00 20.06 O HETATM 1696 O HOH 179 -5.095 23.459 25.429 1.00 19.68 O HETATM 1697 O HOH 180 28.146 17.518 17.484 1.00 21.30 O HETATM 1698 O HOH 181 15.630 8.245 39.787 1.00 14.58 O HETATM 1699 O HOH 182 15.282 -0.091 31.114 1.00 25.34 O HETATM 1700 O HOH 183 28.098 8.088 18.492 1.00 24.03 O HETATM 1701 O HOH 184 25.482 -2.640 11.884 1.00 26.14 O HETATM 1702 O HOH 185 23.319 8.611 4.316 1.00 28.10 O HETATM 1703 O HOH 186 -2.627 5.911 34.375 1.00 34.31 O HETATM 1704 O HOH 187 22.749 4.167 9.671 1.00 30.20 O HETATM 1705 O HOH 188 26.653 8.223 14.497 1.00 15.76 O HETATM 1706 O HOH 189 27.427 1.707 10.618 1.00 28.95 O HETATM 1707 O HOH 190 12.630 0.485 37.078 1.00 17.18 O HETATM 1708 O HOH 191 -2.317 4.917 14.017 1.00 37.71 O HETATM 1709 O HOH 192 16.485 22.949 5.769 1.00 27.96 O HETATM 1710 O HOH 193 22.297 10.852 41.038 1.00 17.15 O HETATM 1711 O HOH 194 26.994 -0.130 12.347 1.00 22.28 O HETATM 1712 O HOH 195 6.051 17.968 1.641 1.00 27.94 O HETATM 1713 O HOH 196 29.224 13.282 23.099 1.00 9.73 O HETATM 1714 O HOH 197 27.447 16.301 23.647 1.00 11.74 O HETATM 1715 O HOH 198 28.940 14.639 20.749 1.00 22.73 O HETATM 1716 O HOH 199 31.906 14.714 17.624 1.00 19.93 O HETATM 1717 O HOH 200 34.699 14.818 18.686 1.00 27.27 O HETATM 1718 O HOH 201 27.363 19.823 17.550 1.00 20.10 O HETATM 1719 O HOH 202 21.969 0.816 6.968 1.00 27.15 O HETATM 1720 O HOH 203 23.169 0.533 4.335 1.00 27.51 O HETATM 1721 O HOH 204 10.726 21.220 42.709 1.00 18.34 O HETATM 1722 O HOH 205 7.033 14.502 40.936 1.00 26.76 O HETATM 1723 O HOH 206 6.506 -3.759 33.185 1.00 37.80 O HETATM 1724 O HOH 207 1.579 4.761 34.917 1.00 23.93 O HETATM 1725 O HOH 208 3.863 -1.469 25.737 1.00 22.69 O HETATM 1726 O HOH 209 0.997 1.978 24.280 1.00 35.20 O HETATM 1727 O HOH 210 13.727 -3.997 26.916 1.00 22.86 O HETATM 1728 O HOH 211 10.231 -3.175 29.389 1.00 18.02 O HETATM 1729 O HOH 212 12.289 25.661 10.438 1.00 27.67 O HETATM 1730 O HOH 213 18.853 10.402 3.807 1.00 27.58 O HETATM 1731 O HOH 214 3.347 26.900 37.077 1.00 20.98 O HETATM 1732 O HOH 215 9.863 6.697 10.569 1.00 26.57 O HETATM 1733 O HOH 216 22.389 34.143 27.614 1.00 39.10 O HETATM 1734 O HOH 217 5.523 31.932 35.510 1.00 26.88 O HETATM 1735 O HOH 218 12.523 35.566 25.094 1.00 29.53 O HETATM 1736 O HOH 219 23.634 20.121 25.365 1.00 14.31 O HETATM 1737 O HOH 220 11.767 23.650 42.509 1.00 23.43 O HETATM 1738 O HOH 221 6.388 -0.256 37.796 1.00 21.38 O HETATM 1739 O HOH 222 -2.403 26.374 35.269 1.00 26.07 O HETATM 1740 O HOH 223 31.382 9.284 21.917 1.00 26.93 O HETATM 1741 O HOH 224 6.490 20.393 10.211 1.00 27.48 O HETATM 1742 O HOH 225 18.465 -1.180 26.923 1.00 34.93 O HETATM 1743 O HOH 226 4.709 1.030 21.869 1.00 25.12 O HETATM 1744 O HOH 227 21.373 27.849 30.748 1.00 23.91 O HETATM 1745 O HOH 228 18.331 -2.813 15.626 1.00 20.01 O HETATM 1746 O HOH 229 20.986 18.925 40.970 1.00 35.44 O HETATM 1747 O HOH 230 21.826 22.278 26.523 1.00 26.22 O HETATM 1748 O HOH 231 -3.645 7.366 13.443 1.00 18.98 O HETATM 1749 O HOH 232 4.284 8.379 39.372 1.00 7.56 O HETATM 1750 O HOH 233 10.401 5.609 41.310 1.00 21.54 O HETATM 1751 O HOH 234 8.330 -0.165 42.349 1.00 11.99 O HETATM 1752 O HOH 235 8.591 16.963 44.027 1.00 11.22 O HETATM 1753 O HOH 236 0.128 0.767 26.358 1.00 11.23 O HETATM 1754 O HOH 237 10.633 -2.938 20.854 1.00 11.87 O HETATM 1755 O HOH 238 7.776 13.174 43.660 1.00 36.11 O HETATM 1756 O HOH 239 3.534 27.289 18.735 1.00 39.92 O HETATM 1757 O HOH 240 14.223 -2.371 30.953 1.00 30.29 O HETATM 1758 O HOH 241 16.206 -5.372 23.589 1.00 39.31 O HETATM 1759 O HOH 242 22.421 34.859 24.321 1.00 36.70 O HETATM 1760 O HOH 243 4.791 10.107 40.719 1.00 44.97 O HETATM 1761 O HOH 244 23.771 -3.565 15.846 1.00 33.99 O HETATM 1762 O HOH 245 7.680 1.784 15.755 1.00 44.34 O HETATM 1763 O HOH 246 6.780 -0.734 19.048 1.00 39.01 O HETATM 1764 O HOH 247 15.415 17.189 1.841 1.00 39.05 O HETATM 1765 O HOH 248 7.120 32.653 23.156 1.00 37.94 O HETATM 1766 CAJ UNN A 249 1.943 16.691 20.592 1.00 -0.07 C HETATM 1767 CAH UNN A 249 1.772 16.229 21.893 1.00 -0.05 C HETATM 1768 CAX UNN A 249 0.695 15.412 22.206 1.00 0.03 C HETATM 1769 NAA UNN A 249 0.540 14.978 23.458 1.00 -0.34 N HETATM 1770 H3 UNN A 249 -0.257 14.371 23.698 1.00 0.17 H HETATM 1771 H4 UNN A 249 1.217 15.250 24.185 1.00 0.17 H HETATM 1772 CAI UNN A 249 -0.215 15.059 21.213 1.00 -0.05 C HETATM 1773 CAK UNN A 249 -0.044 15.522 19.910 1.00 -0.07 C HETATM 1774 CAY UNN A 249 1.041 16.336 19.594 1.00 -0.03 C HETATM 1775 CAR UNN A 249 1.236 16.819 18.287 1.00 0.06 C HETATM 1776 NAU UNN A 249 1.659 18.219 18.382 1.00 -0.26 N HETATM 1777 CAV UNN A 249 2.794 18.723 17.855 1.00 0.26 C HETATM 1778 OAB UNN A 249 3.566 18.036 17.184 1.00 -0.40 O HETATM 1779 N UNN A 249 3.004 20.043 18.053 1.00 -0.25 N HETATM 1780 CA UNN A 249 4.181 20.773 17.554 1.00 0.12 C HETATM 1781 C UNN A 249 5.277 20.709 18.622 1.00 0.20 C HETATM 1782 O UNN A 249 5.011 20.316 19.755 1.00 -0.39 O HETATM 1783 NBD UNN A 249 6.524 20.995 18.192 1.00 -0.26 N HETATM 1784 CAS UNN A 249 7.769 20.880 18.938 1.00 0.04 C HETATM 1785 CAO UNN A 249 8.802 21.829 18.303 1.00 -0.03 C HETATM 1786 CAQ UNN A 249 8.603 21.083 17.046 1.00 -0.02 C HETATM 1787 CBC UNN A 249 7.027 21.370 16.840 1.00 0.08 C HETATM 1788 CAZ UNN A 249 6.776 22.776 16.704 1.00 -0.01 C HETATM 1789 CBB UNN A 249 6.865 23.306 15.397 1.00 -0.01 C HETATM 1790 CAN UNN A 249 7.187 22.484 14.309 1.00 -0.05 C HETATM 1791 CAE UNN A 249 7.286 22.992 13.011 1.00 -0.06 C HETATM 1792 CAD UNN A 249 7.067 24.344 12.776 1.00 -0.06 C HETATM 1793 CAL UNN A 249 6.741 25.167 13.850 1.00 -0.06 C HETATM 1794 CBA UNN A 249 6.643 24.657 15.145 1.00 -0.02 C HETATM 1795 CAM UNN A 249 6.316 25.516 16.191 1.00 -0.06 C HETATM 1796 CAF UNN A 249 6.203 25.018 17.482 1.00 -0.07 C HETATM 1797 CAG UNN A 249 6.417 23.666 17.726 1.00 -0.06 C HETATM 1798 H26 UNN A 249 6.303 23.289 18.736 1.00 0.05 H HETATM 1799 H25 UNN A 249 5.948 25.683 18.299 1.00 0.06 H HETATM 1800 H24 UNN A 249 6.150 26.570 15.998 1.00 0.05 H HETATM 1801 H23 UNN A 249 6.560 26.222 13.678 1.00 0.06 H HETATM 1802 H22 UNN A 249 7.149 24.750 11.774 1.00 0.06 H HETATM 1803 H21 UNN A 249 7.534 22.332 12.188 1.00 0.06 H HETATM 1804 H20 UNN A 249 7.364 21.428 14.478 1.00 0.06 H HETATM 1805 H19 UNN A 249 6.585 20.791 16.016 1.00 0.07 H HETATM 1806 H17 UNN A 249 8.816 20.010 17.163 1.00 0.03 H HETATM 1807 H18 UNN A 249 9.209 21.490 16.223 1.00 0.03 H HETATM 1808 H15 UNN A 249 9.815 21.756 18.726 1.00 0.03 H HETATM 1809 H16 UNN A 249 8.495 22.885 18.265 1.00 0.03 H HETATM 1810 H13 UNN A 249 8.137 19.844 18.891 1.00 0.05 H HETATM 1811 H14 UNN A 249 7.601 21.162 19.988 1.00 0.05 H HETATM 1812 H11 UNN A 249 3.913 21.822 17.359 1.00 0.08 H HETATM 1813 H12 UNN A 249 4.540 20.308 16.624 1.00 0.08 H HETATM 1814 H10 UNN A 249 2.318 20.555 18.570 1.00 0.19 H HETATM 1815 H9 UNN A 249 1.060 18.849 18.876 1.00 0.19 H HETATM 1816 H7 UNN A 249 0.296 16.750 17.719 1.00 0.07 H HETATM 1817 H8 UNN A 249 2.014 16.227 17.782 1.00 0.07 H HETATM 1818 H6 UNN A 249 -0.757 15.248 19.141 1.00 0.05 H HETATM 1819 H5 UNN A 249 -1.059 14.422 21.454 1.00 0.05 H HETATM 1820 H2 UNN A 249 2.482 16.508 22.664 1.00 0.05 H HETATM 1821 H1 UNN A 249 2.784 17.332 20.354 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1766 1767 1774 1821 CONECT 1767 1766 1768 1820 CONECT 1768 1767 1769 1772 CONECT 1769 1768 1770 1771 CONECT 1770 1769 CONECT 1771 1769 CONECT 1772 1768 1773 1819 CONECT 1773 1772 1774 1818 CONECT 1774 1766 1773 1775 CONECT 1775 1774 1776 1816 1817 CONECT 1776 1775 1777 1815 CONECT 1777 1776 1778 1779 CONECT 1778 1777 CONECT 1779 1777 1780 1814 CONECT 1780 1779 1781 1812 1813 CONECT 1781 1780 1782 1783 CONECT 1782 1781 CONECT 1783 1781 1784 1787 CONECT 1784 1783 1785 1810 1811 CONECT 1785 1784 1786 1808 1809 CONECT 1786 1785 1787 1806 1807 CONECT 1787 1783 1786 1788 1805 CONECT 1788 1787 1789 1797 CONECT 1789 1788 1790 1794 CONECT 1790 1789 1791 1804 CONECT 1791 1790 1792 1803 CONECT 1792 1791 1793 1802 CONECT 1793 1792 1794 1801 CONECT 1794 1789 1793 1795 CONECT 1795 1794 1796 1800 CONECT 1796 1795 1797 1799 CONECT 1797 1788 1796 1798 CONECT 1798 1797 CONECT 1799 1796 CONECT 1800 1795 CONECT 1801 1793 CONECT 1802 1792 CONECT 1803 1791 CONECT 1804 1790 CONECT 1805 1787 CONECT 1806 1786 CONECT 1807 1786 CONECT 1808 1785 CONECT 1809 1785 CONECT 1810 1784 CONECT 1811 1784 CONECT 1812 1780 CONECT 1813 1780 CONECT 1814 1779 CONECT 1815 1776 CONECT 1816 1775 CONECT 1817 1775 CONECT 1818 1773 CONECT 1819 1772 CONECT 1820 1767 CONECT 1821 1766 MASTER 0 0 0 0 0 0 0 0 1820 1 60 13 END
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Structure:
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Related entries of code: 4j59
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j58
RCSB PDB
PDBbind
164aa, >4J58_1|Chain... at 100%
4j5b
RCSB PDB
PDBbind
164aa, >4J5B_1|Chain... at 100%
4j5c
RCSB PDB
PDBbind
164aa, >4J5C_1|Chain... at 100%
4j5d
RCSB PDB
PDBbind
164aa, >4J5D_1|Chain... at 100%
4j5e
RCSB PDB
PDBbind
164aa, >4J5E_1|Chain... at 100%
6ra1
RCSB PDB
PDBbind
164aa, >6RA1_1|Chain... at 100%
6r9x
RCSB PDB
PDBbind
164aa, >6R9X_1|Chain... at 100%
6r9u
RCSB PDB
PDBbind
164aa, >6R9U_1|Chain... at 100%
6r9s
RCSB PDB
PDBbind
164aa, >6R9S_1|Chain... at 100%
6r8w
RCSB PDB
PDBbind
164aa, >6R8W_1|Chain... at 100%
6r8o
RCSB PDB
PDBbind
164aa, >6R8O_1|Chain... at 100%
6r8l
RCSB PDB
PDBbind
164aa, >6R8L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4j59
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
671
EC.Number
E.C.5.2.1.8
Resolution
1.92(Å)
Affinity (Kd/Ki/IC50)
IC50=1.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
2
4
H
2
6
N
4
O
2
Molecular Weight
402.489
Exact Mass
402.206
No. of atoms
56
No. of bonds
59
Polar Surface Area
87.46
LOGP Value
2.98 (
Computed with XLOGP3
)
4.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
O=C(NCC(=O)N1CCC[C@@H]1c1cccc2c1cccc2)NCc1ccc(cc1)N
InChI String
InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)/t22-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
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