Browse entries in the PDBbind-CN Database
HEADER 4J5B_COMPLEX COMPND 4J5B_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 248 54 ATOM 1 N GLY A 44 20.413 13.002 43.648 1.00 23.87 N ATOM 2 CA GLY A 44 20.527 13.980 42.582 1.00 22.93 C ATOM 3 C GLY A 44 19.606 13.788 41.422 1.00 21.96 C ATOM 4 O GLY A 44 18.719 12.886 41.532 1.00 22.61 O ATOM 5 HN3 GLY A 44 20.614 12.054 43.270 1.00 0.00 H ATOM 6 HN2 GLY A 44 19.448 13.024 44.036 1.00 0.00 H ATOM 7 HN1 GLY A 44 21.095 13.229 44.400 1.00 0.00 H ATOM 8 N ASN A 45 19.818 14.559 40.357 1.00 20.34 N ATOM 9 CA ASN A 45 18.968 14.444 39.189 1.00 17.95 C ATOM 10 C ASN A 45 19.213 13.117 38.441 1.00 16.58 C ATOM 11 O ASN A 45 20.340 12.737 38.268 1.00 16.41 O ATOM 12 CB ASN A 45 19.180 15.618 38.252 1.00 16.94 C ATOM 13 CG ASN A 45 18.638 16.912 38.822 1.00 16.40 C ATOM 14 OD1 ASN A 45 17.682 16.912 39.598 1.00 16.05 O ATOM 15 ND2 ASN A 45 19.225 18.023 38.414 1.00 16.27 N ATOM 16 HD22 ASN A 45 20.030 17.975 37.757 1.00 0.00 H ATOM 17 HD21 ASN A 45 18.882 18.946 38.749 1.00 0.00 H ATOM 18 H ASN A 45 20.598 15.247 40.364 1.00 0.00 H ATOM 19 N PRO A 46 18.154 12.497 37.916 1.00 15.70 N ATOM 20 CA PRO A 46 18.317 11.222 37.177 1.00 15.54 C ATOM 21 C PRO A 46 19.094 11.460 35.894 1.00 15.29 C ATOM 22 O PRO A 46 18.974 12.519 35.270 1.00 15.74 O ATOM 23 CB PRO A 46 16.876 10.841 36.822 1.00 15.22 C ATOM 24 CG PRO A 46 16.009 11.594 37.789 1.00 15.32 C ATOM 25 CD PRO A 46 16.747 12.855 38.086 1.00 15.16 C ATOM 26 N LEU A 47 19.904 10.474 35.519 1.00 14.41 N ATOM 27 CA LEU A 47 20.504 10.422 34.202 1.00 13.65 C ATOM 28 C LEU A 47 19.836 9.271 33.475 1.00 13.24 C ATOM 29 O LEU A 47 19.733 8.171 34.023 1.00 13.15 O ATOM 30 CB LEU A 47 22.000 10.122 34.283 1.00 13.92 C ATOM 31 CG LEU A 47 23.013 11.142 34.784 1.00 14.24 C ATOM 32 CD1 LEU A 47 24.389 10.674 34.378 1.00 14.55 C ATOM 33 CD2 LEU A 47 22.723 12.525 34.228 1.00 14.14 C ATOM 34 H LEU A 47 20.114 9.713 36.196 1.00 0.00 H ATOM 35 N VAL A 48 19.384 9.516 32.251 1.00 12.79 N ATOM 36 CA VAL A 48 18.745 8.476 31.459 1.00 12.62 C ATOM 37 C VAL A 48 19.393 8.450 30.097 1.00 13.22 C ATOM 38 O VAL A 48 20.034 9.420 29.698 1.00 13.28 O ATOM 39 CB VAL A 48 17.223 8.715 31.318 1.00 11.99 C ATOM 40 CG1 VAL A 48 16.551 8.651 32.703 1.00 11.83 C ATOM 41 CG2 VAL A 48 16.936 10.062 30.626 1.00 11.49 C ATOM 42 H VAL A 48 19.489 10.470 31.850 1.00 0.00 H ATOM 43 N TYR A 49 19.234 7.345 29.378 1.00 13.74 N ATOM 44 CA TYR A 49 19.838 7.252 28.059 1.00 14.34 C ATOM 45 C TYR A 49 18.839 6.788 27.021 1.00 14.48 C ATOM 46 O TYR A 49 17.868 6.104 27.350 1.00 14.57 O ATOM 47 CB TYR A 49 21.044 6.310 28.072 1.00 15.25 C ATOM 48 CG TYR A 49 20.682 4.856 28.263 1.00 16.02 C ATOM 49 CD1 TYR A 49 20.466 4.018 27.171 1.00 16.81 C ATOM 50 CD2 TYR A 49 20.560 4.318 29.539 1.00 16.24 C ATOM 51 CE1 TYR A 49 20.131 2.674 27.350 1.00 17.32 C ATOM 52 CE2 TYR A 49 20.227 2.991 29.730 1.00 16.84 C ATOM 53 CZ TYR A 49 20.010 2.172 28.637 1.00 17.48 C ATOM 54 OH TYR A 49 19.676 0.852 28.845 1.00 18.33 O ATOM 55 HH TYR A 49 19.555 0.402 27.972 1.00 0.00 H ATOM 56 H TYR A 49 18.680 6.550 29.757 1.00 0.00 H ATOM 57 N LEU A 50 19.088 7.180 25.772 1.00 14.56 N ATOM 58 CA LEU A 50 18.394 6.641 24.611 1.00 14.94 C ATOM 59 C LEU A 50 19.455 6.125 23.651 1.00 15.64 C ATOM 60 O LEU A 50 20.363 6.870 23.273 1.00 15.32 O ATOM 61 CB LEU A 50 17.600 7.740 23.909 1.00 14.90 C ATOM 62 CG LEU A 50 16.748 8.691 24.749 1.00 15.00 C ATOM 63 CD1 LEU A 50 16.337 9.910 23.911 1.00 15.23 C ATOM 64 CD2 LEU A 50 15.525 7.979 25.300 1.00 15.24 C ATOM 65 H LEU A 50 19.815 7.908 25.619 1.00 0.00 H ATOM 66 N ASP A 51 19.362 4.850 23.279 1.00 16.71 N ATOM 67 CA ASP A 51 20.207 4.313 22.217 1.00 17.62 C ATOM 68 C ASP A 51 19.414 4.379 20.913 1.00 19.13 C ATOM 69 O ASP A 51 18.291 3.873 20.837 1.00 19.37 O ATOM 70 CB ASP A 51 20.629 2.872 22.511 1.00 17.47 C ATOM 71 CG ASP A 51 21.599 2.769 23.668 1.00 16.92 C ATOM 72 OD1 ASP A 51 22.303 3.756 23.957 1.00 16.51 O ATOM 73 OD2 ASP A 51 21.657 1.691 24.289 1.00 16.94 O ATOM 74 H ASP A 51 18.677 4.227 23.752 1.00 0.00 H ATOM 75 N VAL A 52 19.993 5.008 19.892 1.00 20.06 N ATOM 76 CA VAL A 52 19.261 5.302 18.659 1.00 21.19 C ATOM 77 C VAL A 52 19.810 4.564 17.435 1.00 22.58 C ATOM 78 O VAL A 52 21.018 4.495 17.246 1.00 22.56 O ATOM 79 CB VAL A 52 19.295 6.812 18.351 1.00 21.31 C ATOM 80 CG1 VAL A 52 18.432 7.121 17.151 1.00 21.85 C ATOM 81 CG2 VAL A 52 18.844 7.611 19.557 1.00 20.83 C ATOM 82 H VAL A 52 20.989 5.297 19.973 1.00 0.00 H ATOM 83 N ASP A 53 18.910 4.016 16.618 1.00 24.20 N ATOM 84 CA ASP A 53 19.258 3.399 15.336 1.00 26.70 C ATOM 85 C ASP A 53 18.709 4.227 14.183 1.00 26.95 C ATOM 86 O ASP A 53 17.666 4.877 14.318 1.00 26.40 O ATOM 87 CB ASP A 53 18.601 2.025 15.215 1.00 28.65 C ATOM 88 CG ASP A 53 19.422 0.920 15.823 1.00 30.14 C ATOM 89 OD1 ASP A 53 19.055 -0.255 15.596 1.00 31.35 O ATOM 90 OD2 ASP A 53 20.399 1.213 16.545 1.00 30.08 O ATOM 91 H ASP A 53 17.911 4.027 16.905 1.00 0.00 H ATOM 92 N ALA A 54 19.385 4.167 13.039 1.00 27.59 N ATOM 93 CA ALA A 54 18.821 4.679 11.792 1.00 28.02 C ATOM 94 C ALA A 54 18.915 3.594 10.724 1.00 29.18 C ATOM 95 O ALA A 54 20.003 3.106 10.431 1.00 29.19 O ATOM 96 CB ALA A 54 19.537 5.949 11.350 1.00 27.88 C ATOM 97 H ALA A 54 20.336 3.746 13.032 1.00 0.00 H ATOM 98 N ASN A 55 17.772 3.214 10.158 1.00 30.18 N ATOM 99 CA ASN A 55 17.701 2.088 9.225 1.00 31.97 C ATOM 100 C ASN A 55 18.425 0.853 9.752 1.00 32.44 C ATOM 101 O ASN A 55 19.124 0.173 9.005 1.00 33.40 O ATOM 102 CB ASN A 55 18.263 2.467 7.849 1.00 33.08 C ATOM 103 CG ASN A 55 17.423 3.513 7.140 1.00 33.49 C ATOM 104 OD1 ASN A 55 16.210 3.599 7.341 1.00 33.28 O ATOM 105 ND2 ASN A 55 18.066 4.314 6.299 1.00 34.03 N ATOM 106 HD22 ASN A 55 19.091 4.206 6.159 1.00 0.00 H ATOM 107 HD21 ASN A 55 17.545 5.049 5.780 1.00 0.00 H ATOM 108 H ASN A 55 16.901 3.734 10.386 1.00 0.00 H ATOM 109 N GLY A 56 18.288 0.591 11.048 1.00 31.75 N ATOM 110 CA GLY A 56 18.928 -0.559 11.657 1.00 31.91 C ATOM 111 C GLY A 56 20.398 -0.373 11.996 1.00 31.76 C ATOM 112 O GLY A 56 21.000 -1.243 12.623 1.00 32.22 O ATOM 113 H GLY A 56 17.710 1.224 11.637 1.00 0.00 H ATOM 114 N LYS A 57 20.984 0.746 11.584 1.00 31.04 N ATOM 115 CA LYS A 57 22.386 1.016 11.884 1.00 30.48 C ATOM 116 C LYS A 57 22.498 1.887 13.128 1.00 28.84 C ATOM 117 O LYS A 57 21.935 2.979 13.161 1.00 28.16 O ATOM 118 CB LYS A 57 23.058 1.709 10.700 1.00 31.09 C ATOM 119 H LYS A 57 20.434 1.441 11.039 1.00 0.00 H ATOM 120 N PRO A 58 23.216 1.405 14.157 1.00 28.18 N ATOM 121 CA PRO A 58 23.319 2.146 15.419 1.00 27.02 C ATOM 122 C PRO A 58 23.991 3.502 15.228 1.00 26.46 C ATOM 123 O PRO A 58 25.059 3.554 14.619 1.00 26.97 O ATOM 124 CB PRO A 58 24.221 1.258 16.285 1.00 27.39 C ATOM 125 CG PRO A 58 24.221 -0.083 15.625 1.00 28.34 C ATOM 126 CD PRO A 58 24.034 0.177 14.168 1.00 28.77 C ATOM 127 N LEU A 59 23.372 4.570 15.729 1.00 24.93 N ATOM 128 CA LEU A 59 23.973 5.902 15.697 1.00 24.03 C ATOM 129 C LEU A 59 24.737 6.179 16.982 1.00 22.96 C ATOM 130 O LEU A 59 25.704 6.939 16.990 1.00 23.49 O ATOM 131 CB LEU A 59 22.907 6.981 15.526 1.00 23.44 C ATOM 132 CG LEU A 59 22.059 6.981 14.257 1.00 24.14 C ATOM 133 CD1 LEU A 59 21.009 8.092 14.345 1.00 23.77 C ATOM 134 CD2 LEU A 59 22.942 7.145 13.026 1.00 24.90 C ATOM 135 H LEU A 59 22.431 4.452 16.156 1.00 0.00 H ATOM 136 N GLY A 60 24.287 5.580 18.074 1.00 21.15 N ATOM 137 CA GLY A 60 24.914 5.817 19.356 1.00 19.81 C ATOM 138 C GLY A 60 23.924 6.136 20.466 1.00 18.37 C ATOM 139 O GLY A 60 22.719 5.920 20.342 1.00 17.92 O ATOM 140 H GLY A 60 23.475 4.933 18.009 1.00 0.00 H ATOM 141 N ARG A 61 24.451 6.673 21.558 1.00 17.41 N ATOM 142 CA ARG A 61 23.680 6.880 22.769 1.00 16.68 C ATOM 143 C ARG A 61 23.576 8.365 23.090 1.00 15.93 C ATOM 144 O ARG A 61 24.545 9.109 22.971 1.00 15.93 O ATOM 145 CB ARG A 61 24.339 6.126 23.934 1.00 16.81 C ATOM 146 CG ARG A 61 23.744 6.429 25.300 1.00 16.23 C ATOM 147 CD ARG A 61 24.244 5.457 26.343 1.00 16.29 C ATOM 148 NE ARG A 61 23.708 4.114 26.122 1.00 16.41 N ATOM 149 CZ ARG A 61 23.915 3.086 26.936 1.00 16.43 C ATOM 150 NH1 ARG A 61 24.654 3.241 28.024 1.00 16.19 N ATOM 151 NH2 ARG A 61 23.385 1.901 26.666 1.00 16.78 N ATOM 152 HE ARG A 61 23.128 3.954 25.274 1.00 0.00 H ATOM 153 HH12 ARG A 61 24.816 2.436 28.662 1.00 0.00 H ATOM 154 HH11 ARG A 61 25.072 4.168 28.241 1.00 0.00 H ATOM 155 HH22 ARG A 61 23.550 1.099 27.307 1.00 0.00 H ATOM 156 HH21 ARG A 61 22.804 1.773 25.813 1.00 0.00 H ATOM 157 H ARG A 61 25.452 6.956 21.546 1.00 0.00 H ATOM 158 N VAL A 62 22.385 8.794 23.484 1.00 15.25 N ATOM 159 CA VAL A 62 22.196 10.137 24.003 1.00 14.43 C ATOM 160 C VAL A 62 21.963 10.008 25.502 1.00 13.73 C ATOM 161 O VAL A 62 21.110 9.231 25.922 1.00 13.83 O ATOM 162 CB VAL A 62 20.972 10.805 23.364 1.00 14.46 C ATOM 163 CG1 VAL A 62 20.801 12.221 23.893 1.00 14.20 C ATOM 164 CG2 VAL A 62 21.103 10.813 21.858 1.00 14.95 C ATOM 165 H VAL A 62 21.568 8.154 23.420 1.00 0.00 H ATOM 166 N VAL A 63 22.730 10.740 26.309 1.00 13.13 N ATOM 167 CA VAL A 63 22.520 10.755 27.760 1.00 12.63 C ATOM 168 C VAL A 63 21.943 12.108 28.155 1.00 12.23 C ATOM 169 O VAL A 63 22.422 13.151 27.696 1.00 12.14 O ATOM 170 CB VAL A 63 23.831 10.498 28.550 1.00 12.69 C ATOM 171 CG1 VAL A 63 23.572 10.495 30.060 1.00 12.36 C ATOM 172 CG2 VAL A 63 24.466 9.175 28.118 1.00 12.81 C ATOM 173 H VAL A 63 23.495 11.314 25.900 1.00 0.00 H ATOM 174 N LEU A 64 20.910 12.080 28.991 1.00 11.71 N ATOM 175 CA LEU A 64 20.188 13.281 29.380 1.00 11.54 C ATOM 176 C LEU A 64 20.127 13.417 30.899 1.00 11.53 C ATOM 177 O LEU A 64 19.916 12.429 31.611 1.00 11.86 O ATOM 178 CB LEU A 64 18.763 13.215 28.821 1.00 11.56 C ATOM 179 CG LEU A 64 18.662 12.917 27.318 1.00 11.77 C ATOM 180 CD1 LEU A 64 17.388 12.189 26.991 1.00 11.89 C ATOM 181 CD2 LEU A 64 18.796 14.181 26.489 1.00 11.91 C ATOM 182 H LEU A 64 20.607 11.165 29.382 1.00 0.00 H ATOM 183 N GLU A 65 20.318 14.640 31.389 1.00 11.26 N ATOM 184 CA GLU A 65 20.006 14.966 32.774 1.00 10.73 C ATOM 185 C GLU A 65 18.570 15.480 32.855 1.00 10.40 C ATOM 186 O GLU A 65 18.183 16.379 32.108 1.00 10.42 O ATOM 187 CB GLU A 65 20.959 16.031 33.323 1.00 10.68 C ATOM 188 CG GLU A 65 20.587 16.482 34.742 1.00 10.63 C ATOM 189 CD GLU A 65 21.606 17.406 35.383 1.00 11.17 C ATOM 190 OE1 GLU A 65 22.678 17.629 34.791 1.00 11.34 O ATOM 191 OE2 GLU A 65 21.338 17.908 36.493 1.00 11.78 O ATOM 192 H GLU A 65 20.700 15.381 30.767 1.00 0.00 H ATOM 193 N LEU A 66 17.776 14.904 33.751 1.00 10.10 N ATOM 194 CA LEU A 66 16.415 15.390 33.976 1.00 10.81 C ATOM 195 C LEU A 66 16.403 16.291 35.207 1.00 11.91 C ATOM 196 O LEU A 66 16.800 15.871 36.295 1.00 12.31 O ATOM 197 CB LEU A 66 15.445 14.220 34.162 1.00 10.53 C ATOM 198 CG LEU A 66 15.559 13.131 33.085 1.00 10.74 C ATOM 199 CD1 LEU A 66 14.663 11.954 33.425 1.00 11.08 C ATOM 200 CD2 LEU A 66 15.232 13.683 31.675 1.00 10.33 C ATOM 201 H LEU A 66 18.128 14.095 34.301 1.00 0.00 H ATOM 202 N LYS A 67 15.955 17.529 35.039 1.00 12.30 N ATOM 203 CA LYS A 67 16.024 18.495 36.130 1.00 13.26 C ATOM 204 C LYS A 67 14.891 18.299 37.128 1.00 13.38 C ATOM 205 O LYS A 67 13.973 19.112 37.223 1.00 13.40 O ATOM 206 CB LYS A 67 16.058 19.922 35.583 1.00 14.39 C ATOM 207 CG LYS A 67 17.292 20.205 34.725 1.00 15.29 C ATOM 208 CD LYS A 67 18.561 20.332 35.595 1.00 16.47 C ATOM 209 CE LYS A 67 18.815 21.782 36.033 1.00 17.52 C ATOM 210 NZ LYS A 67 19.485 21.894 37.371 1.00 18.28 N ATOM 211 HZ1 LYS A 67 18.886 21.449 38.096 1.00 0.00 H ATOM 212 HZ2 LYS A 67 20.406 21.412 37.338 1.00 0.00 H ATOM 213 HZ3 LYS A 67 19.626 22.898 37.604 1.00 0.00 H ATOM 214 H LYS A 67 15.552 17.812 34.123 1.00 0.00 H ATOM 215 N ALA A 68 14.966 17.194 37.864 1.00 13.47 N ATOM 216 CA ALA A 68 13.971 16.869 38.880 1.00 13.45 C ATOM 217 C ALA A 68 13.970 17.895 40.011 1.00 13.70 C ATOM 218 O ALA A 68 12.992 18.020 40.730 1.00 13.53 O ATOM 219 CB ALA A 68 14.218 15.463 39.431 1.00 13.03 C ATOM 220 H ALA A 68 15.760 16.540 37.710 1.00 0.00 H ATOM 221 N ASP A 69 15.074 18.618 40.168 1.00 14.35 N ATOM 222 CA ASP A 69 15.158 19.660 41.180 1.00 14.85 C ATOM 223 C ASP A 69 14.242 20.840 40.854 1.00 15.55 C ATOM 224 O ASP A 69 13.788 21.533 41.756 1.00 16.90 O ATOM 225 CB ASP A 69 16.612 20.109 41.405 1.00 15.14 C ATOM 226 CG ASP A 69 17.335 20.457 40.114 1.00 15.10 C ATOM 227 OD1 ASP A 69 16.829 20.130 39.023 1.00 13.88 O ATOM 228 OD2 ASP A 69 18.428 21.053 40.200 1.00 16.23 O ATOM 229 H ASP A 69 15.894 18.435 39.555 1.00 0.00 H ATOM 230 N VAL A 70 13.940 21.042 39.574 1.00 14.64 N ATOM 231 CA VAL A 70 13.107 22.169 39.138 1.00 14.28 C ATOM 232 C VAL A 70 11.690 21.744 38.694 1.00 13.49 C ATOM 233 O VAL A 70 10.697 22.432 38.977 1.00 13.37 O ATOM 234 CB VAL A 70 13.789 22.932 37.980 1.00 14.60 C ATOM 235 CG1 VAL A 70 12.887 24.065 37.461 1.00 14.69 C ATOM 236 CG2 VAL A 70 15.170 23.456 38.421 1.00 15.15 C ATOM 237 H VAL A 70 14.306 20.380 38.860 1.00 0.00 H ATOM 238 N VAL A 71 11.603 20.613 37.993 1.00 12.41 N ATOM 239 CA VAL A 71 10.320 20.110 37.498 1.00 11.78 C ATOM 240 C VAL A 71 10.173 18.629 37.824 1.00 11.68 C ATOM 241 O VAL A 71 10.304 17.785 36.949 1.00 11.64 O ATOM 242 CB VAL A 71 10.166 20.351 35.977 1.00 11.30 C ATOM 243 CG1 VAL A 71 9.671 21.769 35.716 1.00 11.62 C ATOM 244 CG2 VAL A 71 11.492 20.098 35.248 1.00 11.03 C ATOM 245 H VAL A 71 12.469 20.074 37.793 1.00 0.00 H ATOM 246 N PRO A 72 9.922 18.305 39.091 1.00 11.84 N ATOM 247 CA PRO A 72 9.925 16.894 39.495 1.00 11.72 C ATOM 248 C PRO A 72 8.846 16.039 38.821 1.00 11.32 C ATOM 249 O PRO A 72 9.103 14.871 38.540 1.00 10.42 O ATOM 250 CB PRO A 72 9.708 16.939 41.022 1.00 12.21 C ATOM 251 CG PRO A 72 9.150 18.311 41.311 1.00 12.44 C ATOM 252 CD PRO A 72 9.728 19.218 40.245 1.00 12.07 C ATOM 253 N LYS A 73 7.666 16.592 38.571 1.00 11.65 N ATOM 254 CA LYS A 73 6.597 15.777 38.010 1.00 12.25 C ATOM 255 C LYS A 73 6.900 15.457 36.558 1.00 11.46 C ATOM 256 O LYS A 73 6.665 14.341 36.090 1.00 11.74 O ATOM 257 CB LYS A 73 5.249 16.486 38.138 1.00 13.63 C ATOM 258 CG LYS A 73 4.802 16.641 39.587 1.00 15.31 C ATOM 259 CD LYS A 73 3.542 17.487 39.715 1.00 16.48 C ATOM 260 CE LYS A 73 3.180 17.717 41.176 1.00 17.73 C ATOM 261 NZ LYS A 73 2.718 19.115 41.407 1.00 18.33 N ATOM 262 HZ1 LYS A 73 3.476 19.777 41.146 1.00 0.00 H ATOM 263 HZ2 LYS A 73 1.877 19.302 40.824 1.00 0.00 H ATOM 264 HZ3 LYS A 73 2.479 19.238 42.412 1.00 0.00 H ATOM 265 H LYS A 73 7.506 17.599 38.774 1.00 0.00 H ATOM 266 N THR A 74 7.434 16.443 35.852 1.00 10.47 N ATOM 267 CA THR A 74 7.747 16.288 34.441 1.00 10.04 C ATOM 268 C THR A 74 8.961 15.387 34.262 1.00 9.55 C ATOM 269 O THR A 74 8.993 14.548 33.366 1.00 9.35 O ATOM 270 CB THR A 74 7.982 17.658 33.784 1.00 9.95 C ATOM 271 OG1 THR A 74 6.848 18.498 34.051 1.00 10.14 O ATOM 272 CG2 THR A 74 8.186 17.515 32.278 1.00 9.72 C ATOM 273 HG1 THR A 74 6.743 18.607 35.029 1.00 0.00 H ATOM 274 H THR A 74 7.634 17.350 36.319 1.00 0.00 H ATOM 275 N ALA A 75 9.958 15.553 35.120 1.00 9.53 N ATOM 276 CA ALA A 75 11.134 14.691 35.065 1.00 9.38 C ATOM 277 C ALA A 75 10.760 13.240 35.376 1.00 9.49 C ATOM 278 O ALA A 75 11.256 12.315 34.731 1.00 9.36 O ATOM 279 CB ALA A 75 12.208 15.188 36.034 1.00 9.35 C ATOM 280 H ALA A 75 9.901 16.303 35.838 1.00 0.00 H ATOM 281 N GLU A 76 9.881 13.046 36.356 1.00 9.46 N ATOM 282 CA GLU A 76 9.494 11.697 36.766 1.00 9.69 C ATOM 283 C GLU A 76 8.756 10.976 35.637 1.00 10.17 C ATOM 284 O GLU A 76 8.926 9.773 35.438 1.00 11.05 O ATOM 285 CB GLU A 76 8.655 11.724 38.068 1.00 9.74 C ATOM 286 CG GLU A 76 8.069 10.361 38.519 1.00 8.32 C ATOM 287 CD GLU A 76 9.134 9.291 38.764 1.00 8.20 C ATOM 288 OE1 GLU A 76 10.335 9.620 38.829 1.00 4.66 O ATOM 289 OE2 GLU A 76 8.770 8.109 38.896 1.00 8.14 O ATOM 290 H GLU A 76 9.463 13.867 36.838 1.00 0.00 H ATOM 291 N ASN A 77 7.927 11.705 34.906 1.00 9.70 N ATOM 292 CA ASN A 77 7.208 11.123 33.776 1.00 9.83 C ATOM 293 C ASN A 77 8.198 10.577 32.741 1.00 10.39 C ATOM 294 O ASN A 77 8.121 9.409 32.346 1.00 10.56 O ATOM 295 CB ASN A 77 6.279 12.173 33.154 1.00 9.68 C ATOM 296 CG ASN A 77 5.484 11.641 31.975 1.00 10.41 C ATOM 297 OD1 ASN A 77 4.669 10.735 32.127 1.00 11.37 O ATOM 298 ND2 ASN A 77 5.704 12.214 30.793 1.00 10.12 N ATOM 299 HD22 ASN A 77 6.404 12.979 30.708 1.00 0.00 H ATOM 300 HD21 ASN A 77 5.176 11.897 29.955 1.00 0.00 H ATOM 301 H ASN A 77 7.786 12.708 35.140 1.00 0.00 H ATOM 302 N PHE A 78 9.146 11.415 32.330 1.00 10.49 N ATOM 303 CA PHE A 78 10.154 11.000 31.351 1.00 11.19 C ATOM 304 C PHE A 78 10.976 9.817 31.869 1.00 12.02 C ATOM 305 O PHE A 78 11.154 8.840 31.159 1.00 12.52 O ATOM 306 CB PHE A 78 11.081 12.169 30.991 1.00 10.94 C ATOM 307 CG PHE A 78 11.837 11.979 29.697 1.00 11.49 C ATOM 308 CD1 PHE A 78 11.280 12.379 28.490 1.00 11.34 C ATOM 309 CD2 PHE A 78 13.102 11.417 29.689 1.00 12.03 C ATOM 310 CE1 PHE A 78 11.955 12.224 27.308 1.00 11.69 C ATOM 311 CE2 PHE A 78 13.795 11.249 28.485 1.00 12.20 C ATOM 312 CZ PHE A 78 13.215 11.652 27.298 1.00 12.04 C ATOM 313 H PHE A 78 9.172 12.382 32.711 1.00 0.00 H ATOM 314 N ARG A 79 11.469 9.906 33.105 1.00 12.30 N ATOM 315 CA ARG A 79 12.258 8.821 33.707 1.00 12.72 C ATOM 316 C ARG A 79 11.552 7.464 33.643 1.00 13.10 C ATOM 317 O ARG A 79 12.135 6.473 33.205 1.00 13.53 O ATOM 318 CB ARG A 79 12.617 9.145 35.166 1.00 12.84 C ATOM 319 CG ARG A 79 13.632 8.183 35.794 1.00 13.25 C ATOM 320 CD ARG A 79 13.587 8.207 37.326 1.00 13.65 C ATOM 321 NE ARG A 79 12.292 7.754 37.831 1.00 14.10 N ATOM 322 CZ ARG A 79 11.906 6.481 37.857 1.00 14.91 C ATOM 323 NH1 ARG A 79 12.713 5.520 37.420 1.00 15.06 N ATOM 324 NH2 ARG A 79 10.705 6.163 38.321 1.00 15.11 N ATOM 325 HE ARG A 79 11.631 8.471 38.192 1.00 0.00 H ATOM 326 HH12 ARG A 79 12.401 4.528 37.445 1.00 0.00 H ATOM 327 HH11 ARG A 79 13.656 5.760 37.053 1.00 0.00 H ATOM 328 HH22 ARG A 79 10.402 5.168 38.342 1.00 0.00 H ATOM 329 HH21 ARG A 79 10.066 6.908 38.664 1.00 0.00 H ATOM 330 H ARG A 79 11.290 10.768 33.659 1.00 0.00 H ATOM 331 N ALA A 80 10.295 7.425 34.070 1.00 13.49 N ATOM 332 CA ALA A 80 9.533 6.175 34.112 1.00 13.91 C ATOM 333 C ALA A 80 9.265 5.629 32.708 1.00 14.18 C ATOM 334 O ALA A 80 9.257 4.413 32.488 1.00 14.25 O ATOM 335 CB ALA A 80 8.231 6.380 34.863 1.00 14.02 C ATOM 336 H ALA A 80 9.839 8.306 34.383 1.00 0.00 H ATOM 337 N LEU A 81 9.059 6.530 31.754 1.00 14.05 N ATOM 338 CA LEU A 81 8.842 6.124 30.370 1.00 14.19 C ATOM 339 C LEU A 81 10.145 5.593 29.760 1.00 14.21 C ATOM 340 O LEU A 81 10.124 4.786 28.819 1.00 13.63 O ATOM 341 CB LEU A 81 8.281 7.290 29.549 1.00 13.99 C ATOM 342 CG LEU A 81 6.857 7.754 29.902 1.00 14.66 C ATOM 343 CD1 LEU A 81 6.517 9.057 29.187 1.00 14.52 C ATOM 344 CD2 LEU A 81 5.832 6.690 29.548 1.00 15.27 C ATOM 345 H LEU A 81 9.052 7.541 31.998 1.00 0.00 H ATOM 346 N CYS A 82 11.280 6.039 30.300 1.00 14.45 N ATOM 347 CA CYS A 82 12.574 5.516 29.856 1.00 15.15 C ATOM 348 C CYS A 82 12.842 4.102 30.385 1.00 16.26 C ATOM 349 O CYS A 82 13.342 3.243 29.654 1.00 16.73 O ATOM 350 CB CYS A 82 13.716 6.447 30.259 1.00 14.58 C ATOM 351 SG CYS A 82 13.910 7.839 29.161 1.00 14.00 S ATOM 352 H CYS A 82 11.246 6.765 31.044 1.00 0.00 H ATOM 353 N THR A 83 12.509 3.859 31.649 1.00 16.49 N ATOM 354 CA THR A 83 12.711 2.535 32.224 1.00 17.21 C ATOM 355 C THR A 83 11.626 1.563 31.774 1.00 18.27 C ATOM 356 O THR A 83 11.835 0.356 31.764 1.00 18.85 O ATOM 357 CB THR A 83 12.711 2.571 33.748 1.00 17.20 C ATOM 358 OG1 THR A 83 11.406 2.936 34.204 1.00 17.16 O ATOM 359 CG2 THR A 83 13.736 3.582 34.262 1.00 16.82 C ATOM 360 HG1 THR A 83 11.399 2.961 35.194 1.00 0.00 H ATOM 361 H THR A 83 12.102 4.618 32.231 1.00 0.00 H ATOM 362 N GLY A 84 10.466 2.095 31.404 1.00 18.95 N ATOM 363 CA GLY A 84 9.337 1.268 31.020 1.00 20.24 C ATOM 364 C GLY A 84 8.708 0.566 32.209 1.00 21.77 C ATOM 365 O GLY A 84 7.954 -0.395 32.043 1.00 22.46 O ATOM 366 H GLY A 84 10.365 3.130 31.389 1.00 0.00 H ATOM 367 N GLU A 85 9.012 1.055 33.409 1.00 22.27 N ATOM 368 CA GLU A 85 8.570 0.401 34.639 1.00 23.01 C ATOM 369 C GLU A 85 7.048 0.382 34.848 1.00 23.96 C ATOM 370 O GLU A 85 6.562 -0.405 35.651 1.00 24.77 O ATOM 371 CB GLU A 85 9.280 0.992 35.863 1.00 22.75 C ATOM 372 CG GLU A 85 8.932 2.439 36.175 1.00 22.29 C ATOM 373 CD GLU A 85 9.939 3.080 37.113 1.00 22.34 C ATOM 374 OE1 GLU A 85 11.148 3.096 36.776 1.00 22.28 O ATOM 375 OE2 GLU A 85 9.524 3.557 38.192 1.00 22.34 O ATOM 376 H GLU A 85 9.579 1.925 33.473 1.00 0.00 H ATOM 377 N LYS A 86 6.298 1.225 34.140 1.00 24.05 N ATOM 378 CA LYS A 86 4.824 1.177 34.222 1.00 24.55 C ATOM 379 C LYS A 86 4.177 0.199 33.243 1.00 24.90 C ATOM 380 O LYS A 86 2.968 -0.014 33.294 1.00 25.90 O ATOM 381 CB LYS A 86 4.186 2.553 33.997 1.00 24.49 C ATOM 382 CG LYS A 86 4.588 3.620 34.989 1.00 24.29 C ATOM 383 CD LYS A 86 4.380 3.166 36.415 1.00 24.71 C ATOM 384 CE LYS A 86 5.365 3.885 37.316 1.00 24.48 C ATOM 385 NZ LYS A 86 4.688 4.587 38.436 1.00 24.63 N ATOM 386 HZ1 LYS A 86 4.026 5.291 38.052 1.00 0.00 H ATOM 387 HZ2 LYS A 86 4.166 3.896 39.012 1.00 0.00 H ATOM 388 HZ3 LYS A 86 5.400 5.064 39.025 1.00 0.00 H ATOM 389 H LYS A 86 6.756 1.925 33.522 1.00 0.00 H ATOM 390 N GLY A 87 4.962 -0.375 32.341 1.00 24.24 N ATOM 391 CA GLY A 87 4.417 -1.321 31.386 1.00 24.37 C ATOM 392 C GLY A 87 4.327 -0.753 29.986 1.00 23.74 C ATOM 393 O GLY A 87 3.902 -1.437 29.054 1.00 24.41 O ATOM 394 H GLY A 87 5.976 -0.145 32.318 1.00 0.00 H ATOM 395 N PHE A 88 4.722 0.507 29.842 1.00 22.36 N ATOM 396 CA PHE A 88 4.776 1.166 28.541 1.00 21.57 C ATOM 397 C PHE A 88 5.890 2.200 28.582 1.00 20.43 C ATOM 398 O PHE A 88 6.333 2.601 29.661 1.00 20.11 O ATOM 399 CB PHE A 88 3.435 1.820 28.179 1.00 21.53 C ATOM 400 CG PHE A 88 2.864 2.689 29.267 1.00 21.30 C ATOM 401 CD1 PHE A 88 3.139 4.054 29.310 1.00 20.42 C ATOM 402 CD2 PHE A 88 2.040 2.143 30.242 1.00 21.66 C ATOM 403 CE1 PHE A 88 2.614 4.854 30.311 1.00 20.18 C ATOM 404 CE2 PHE A 88 1.512 2.935 31.252 1.00 21.37 C ATOM 405 CZ PHE A 88 1.795 4.294 31.287 1.00 20.70 C ATOM 406 H PHE A 88 5.003 1.044 30.687 1.00 0.00 H ATOM 407 N GLY A 89 6.358 2.623 27.415 1.00 19.78 N ATOM 408 CA GLY A 89 7.437 3.588 27.372 1.00 18.84 C ATOM 409 C GLY A 89 8.028 3.777 25.991 1.00 18.57 C ATOM 410 O GLY A 89 7.454 3.345 24.989 1.00 18.74 O ATOM 411 H GLY A 89 5.949 2.261 26.530 1.00 0.00 H ATOM 412 N TYR A 90 9.196 4.408 25.951 1.00 17.54 N ATOM 413 CA TYR A 90 9.800 4.859 24.707 1.00 16.79 C ATOM 414 C TYR A 90 10.462 3.775 23.887 1.00 17.79 C ATOM 415 O TYR A 90 10.691 3.965 22.687 1.00 18.18 O ATOM 416 CB TYR A 90 10.848 5.913 25.020 1.00 15.16 C ATOM 417 CG TYR A 90 10.268 7.199 25.549 1.00 13.72 C ATOM 418 CD1 TYR A 90 9.173 7.799 24.926 1.00 13.26 C ATOM 419 CD2 TYR A 90 10.817 7.818 26.664 1.00 12.59 C ATOM 420 CE1 TYR A 90 8.651 8.992 25.395 1.00 12.79 C ATOM 421 CE2 TYR A 90 10.306 9.007 27.142 1.00 12.10 C ATOM 422 CZ TYR A 90 9.223 9.588 26.510 1.00 12.40 C ATOM 423 OH TYR A 90 8.723 10.777 26.999 1.00 12.13 O ATOM 424 HH TYR A 90 7.955 11.064 26.444 1.00 0.00 H ATOM 425 H TYR A 90 9.698 4.587 26.844 1.00 0.00 H ATOM 426 N LYS A 91 10.803 2.661 24.527 1.00 18.40 N ATOM 427 CA LYS A 91 11.568 1.633 23.834 1.00 19.77 C ATOM 428 C LYS A 91 10.868 1.169 22.566 1.00 20.30 C ATOM 429 O LYS A 91 9.710 0.764 22.605 1.00 20.43 O ATOM 430 CB LYS A 91 11.826 0.433 24.730 1.00 20.88 C ATOM 431 CG LYS A 91 12.874 -0.493 24.149 1.00 22.19 C ATOM 432 CD LYS A 91 12.849 -1.854 24.798 1.00 23.32 C ATOM 433 CE LYS A 91 13.958 -2.002 25.812 1.00 23.61 C ATOM 434 NZ LYS A 91 14.711 -3.255 25.559 1.00 24.45 N ATOM 435 HZ1 LYS A 91 14.066 -4.067 25.635 1.00 0.00 H ATOM 436 HZ2 LYS A 91 15.121 -3.225 24.604 1.00 0.00 H ATOM 437 HZ3 LYS A 91 15.472 -3.348 26.262 1.00 0.00 H ATOM 438 H LYS A 91 10.524 2.524 25.520 1.00 0.00 H ATOM 439 N GLY A 92 11.568 1.264 21.438 1.00 20.59 N ATOM 440 CA GLY A 92 11.025 0.817 20.171 1.00 21.31 C ATOM 441 C GLY A 92 10.166 1.840 19.446 1.00 21.85 C ATOM 442 O GLY A 92 9.599 1.543 18.393 1.00 23.11 O ATOM 443 H GLY A 92 12.526 1.668 21.467 1.00 0.00 H ATOM 444 N SER A 93 10.051 3.042 19.999 1.00 21.14 N ATOM 445 CA SER A 93 9.351 4.121 19.301 1.00 20.93 C ATOM 446 C SER A 93 10.350 4.916 18.454 1.00 20.90 C ATOM 447 O SER A 93 11.546 4.621 18.464 1.00 20.96 O ATOM 448 CB SER A 93 8.608 5.028 20.286 1.00 20.45 C ATOM 449 OG SER A 93 9.507 5.674 21.171 1.00 19.91 O ATOM 450 HG SER A 93 10.008 4.993 21.686 1.00 0.00 H ATOM 451 H SER A 93 10.463 3.218 20.938 1.00 0.00 H ATOM 452 N THR A 94 9.871 5.919 17.728 1.00 20.83 N ATOM 453 CA THR A 94 10.696 6.570 16.716 1.00 21.14 C ATOM 454 C THR A 94 10.793 8.087 16.911 1.00 20.73 C ATOM 455 O THR A 94 9.996 8.686 17.642 1.00 20.44 O ATOM 456 CB THR A 94 10.113 6.326 15.308 1.00 21.93 C ATOM 457 OG1 THR A 94 8.888 7.056 15.178 1.00 21.80 O ATOM 458 CG2 THR A 94 9.835 4.835 15.070 1.00 22.61 C ATOM 459 HG1 THR A 94 8.509 6.904 14.276 1.00 0.00 H ATOM 460 H THR A 94 8.896 6.245 17.883 1.00 0.00 H ATOM 461 N PHE A 95 11.779 8.707 16.262 1.00 20.34 N ATOM 462 CA PHE A 95 11.750 10.153 16.054 1.00 20.12 C ATOM 463 C PHE A 95 10.927 10.392 14.795 1.00 20.77 C ATOM 464 O PHE A 95 11.352 10.013 13.701 1.00 21.36 O ATOM 465 CB PHE A 95 13.157 10.726 15.862 1.00 19.68 C ATOM 466 CG PHE A 95 13.923 10.891 17.139 1.00 18.63 C ATOM 467 CD1 PHE A 95 14.465 9.788 17.783 1.00 18.17 C ATOM 468 CD2 PHE A 95 14.106 12.151 17.691 1.00 18.09 C ATOM 469 CE1 PHE A 95 15.173 9.934 18.963 1.00 17.69 C ATOM 470 CE2 PHE A 95 14.811 12.309 18.876 1.00 17.63 C ATOM 471 CZ PHE A 95 15.342 11.198 19.515 1.00 17.36 C ATOM 472 H PHE A 95 12.581 8.153 15.898 1.00 0.00 H ATOM 473 N HIS A 96 9.756 11.007 14.948 1.00 20.34 N ATOM 474 CA HIS A 96 8.789 11.076 13.854 1.00 20.99 C ATOM 475 C HIS A 96 8.812 12.412 13.112 1.00 21.38 C ATOM 476 O HIS A 96 8.346 12.507 11.984 1.00 21.67 O ATOM 477 CB HIS A 96 7.374 10.777 14.369 1.00 20.80 C ATOM 478 CG HIS A 96 6.849 11.815 15.322 1.00 20.32 C ATOM 479 ND1 HIS A 96 6.959 11.689 16.683 1.00 19.98 N ATOM 480 CD2 HIS A 96 6.234 12.993 15.088 1.00 20.14 C ATOM 481 CE1 HIS A 96 6.420 12.757 17.265 1.00 19.46 C ATOM 482 NE2 HIS A 96 5.979 13.560 16.314 1.00 19.64 N ATOM 483 H HIS A 96 9.525 11.446 15.862 1.00 0.00 H ATOM 484 N ARG A 97 9.340 13.448 13.752 1.00 21.52 N ATOM 485 CA ARG A 97 9.470 14.750 13.109 1.00 22.49 C ATOM 486 C ARG A 97 10.839 15.338 13.428 1.00 22.14 C ATOM 487 O ARG A 97 11.189 15.500 14.595 1.00 21.67 O ATOM 488 CB ARG A 97 8.363 15.705 13.565 1.00 23.22 C ATOM 489 CG ARG A 97 8.474 17.093 12.938 1.00 24.62 C ATOM 490 CD ARG A 97 7.623 18.128 13.666 1.00 25.30 C ATOM 491 NE ARG A 97 6.269 18.196 13.132 1.00 26.57 N ATOM 492 CZ ARG A 97 5.180 18.295 13.884 1.00 27.12 C ATOM 493 NH1 ARG A 97 5.295 18.334 15.205 1.00 26.60 N ATOM 494 NH2 ARG A 97 3.980 18.353 13.317 1.00 27.94 N ATOM 495 HE ARG A 97 6.149 18.165 12.099 1.00 0.00 H ATOM 496 HH12 ARG A 97 4.445 18.412 15.799 1.00 0.00 H ATOM 497 HH11 ARG A 97 6.235 18.287 15.647 1.00 0.00 H ATOM 498 HH22 ARG A 97 3.128 18.431 13.909 1.00 0.00 H ATOM 499 HH21 ARG A 97 3.892 18.321 12.281 1.00 0.00 H ATOM 500 H ARG A 97 9.668 13.329 14.732 1.00 0.00 H ATOM 501 N VAL A 98 11.621 15.626 12.391 1.00 22.35 N ATOM 502 CA VAL A 98 12.964 16.177 12.567 1.00 22.25 C ATOM 503 C VAL A 98 13.178 17.349 11.617 1.00 22.90 C ATOM 504 O VAL A 98 13.102 17.191 10.393 1.00 23.47 O ATOM 505 CB VAL A 98 14.062 15.112 12.311 1.00 23.58 C ATOM 506 CG1 VAL A 98 15.449 15.730 12.414 1.00 23.67 C ATOM 507 CG2 VAL A 98 13.924 13.944 13.289 1.00 22.98 C ATOM 508 H VAL A 98 11.267 15.454 11.428 1.00 0.00 H ATOM 509 N ILE A 99 13.441 18.527 12.176 1.00 22.52 N ATOM 510 CA ILE A 99 13.623 19.717 11.351 1.00 23.19 C ATOM 511 C ILE A 99 14.986 20.356 11.566 1.00 23.41 C ATOM 512 O ILE A 99 15.274 20.866 12.647 1.00 22.80 O ATOM 513 CB ILE A 99 12.508 20.750 11.593 1.00 22.99 C ATOM 514 CG1 ILE A 99 11.160 20.145 11.211 1.00 22.98 C ATOM 515 CG2 ILE A 99 12.758 22.009 10.778 1.00 23.49 C ATOM 516 CD1 ILE A 99 9.989 21.008 11.571 1.00 23.02 C ATOM 517 H ILE A 99 13.518 18.601 13.211 1.00 0.00 H ATOM 518 N PRO A 100 15.830 20.337 10.526 1.00 24.28 N ATOM 519 CA PRO A 100 17.207 20.809 10.688 1.00 24.32 C ATOM 520 C PRO A 100 17.270 22.268 11.121 1.00 24.09 C ATOM 521 O PRO A 100 16.448 23.082 10.687 1.00 24.35 O ATOM 522 CB PRO A 100 17.811 20.617 9.294 1.00 25.17 C ATOM 523 CG PRO A 100 16.955 19.567 8.650 1.00 25.45 C ATOM 524 CD PRO A 100 15.572 19.879 9.147 1.00 25.08 C ATOM 525 N SER A 101 18.226 22.566 11.998 1.00 23.58 N ATOM 526 CA SER A 101 18.385 23.893 12.589 1.00 23.20 C ATOM 527 C SER A 101 17.136 24.292 13.383 1.00 22.57 C ATOM 528 O SER A 101 16.777 25.466 13.443 1.00 22.86 O ATOM 529 CB SER A 101 18.721 24.938 11.519 1.00 23.96 C ATOM 530 OG SER A 101 19.872 24.558 10.783 1.00 24.43 O ATOM 531 HG SER A 101 20.068 25.247 10.100 1.00 0.00 H ATOM 532 H SER A 101 18.892 21.818 12.276 1.00 0.00 H ATOM 533 N PHE A 102 16.487 23.301 13.995 1.00 21.45 N ATOM 534 CA PHE A 102 15.352 23.548 14.878 1.00 20.54 C ATOM 535 C PHE A 102 15.315 22.507 16.001 1.00 19.25 C ATOM 536 O PHE A 102 15.765 22.783 17.118 1.00 18.88 O ATOM 537 CB PHE A 102 14.044 23.571 14.078 1.00 21.21 C ATOM 538 CG PHE A 102 12.813 23.870 14.904 1.00 21.08 C ATOM 539 CD1 PHE A 102 12.906 24.506 16.140 1.00 20.91 C ATOM 540 CD2 PHE A 102 11.558 23.515 14.436 1.00 21.33 C ATOM 541 CE1 PHE A 102 11.772 24.774 16.889 1.00 20.74 C ATOM 542 CE2 PHE A 102 10.419 23.782 15.178 1.00 21.31 C ATOM 543 CZ PHE A 102 10.527 24.412 16.409 1.00 21.03 C ATOM 544 H PHE A 102 16.799 22.322 13.838 1.00 0.00 H ATOM 545 N MET A 103 14.787 21.317 15.716 1.00 18.23 N ATOM 546 CA MET A 103 14.670 20.295 16.756 1.00 17.01 C ATOM 547 C MET A 103 14.432 18.892 16.203 1.00 16.34 C ATOM 548 O MET A 103 14.125 18.720 15.016 1.00 16.29 O ATOM 549 CB MET A 103 13.560 20.670 17.756 1.00 16.72 C ATOM 550 CG MET A 103 12.176 20.861 17.146 1.00 16.89 C ATOM 551 SD MET A 103 11.270 19.318 16.971 1.00 18.83 S ATOM 552 CE MET A 103 10.986 19.305 15.193 1.00 12.96 C ATOM 553 H MET A 103 14.457 21.114 14.751 1.00 0.00 H ATOM 554 N CYS A 104 14.574 17.899 17.079 1.00 15.41 N ATOM 555 CA CYS A 104 14.234 16.517 16.773 1.00 14.98 C ATOM 556 C CYS A 104 13.172 16.103 17.767 1.00 14.37 C ATOM 557 O CYS A 104 13.377 16.217 18.970 1.00 13.93 O ATOM 558 CB CYS A 104 15.452 15.603 16.935 1.00 14.87 C ATOM 559 SG CYS A 104 16.948 16.222 16.186 1.00 13.81 S ATOM 560 H CYS A 104 14.945 18.121 18.025 1.00 0.00 H ATOM 561 N GLN A 105 12.043 15.613 17.266 1.00 14.42 N ATOM 562 CA GLN A 105 10.896 15.312 18.113 1.00 14.34 C ATOM 563 C GLN A 105 10.574 13.817 18.115 1.00 14.18 C ATOM 564 O GLN A 105 10.677 13.158 17.085 1.00 14.17 O ATOM 565 CB GLN A 105 9.684 16.121 17.641 1.00 14.75 C ATOM 566 CG GLN A 105 8.418 15.897 18.450 1.00 14.53 C ATOM 567 CD GLN A 105 7.279 16.780 17.991 1.00 14.88 C ATOM 568 OE1 GLN A 105 7.492 17.771 17.289 1.00 15.05 O ATOM 569 NE2 GLN A 105 6.054 16.428 18.388 1.00 14.64 N ATOM 570 HE22 GLN A 105 5.922 15.583 18.980 1.00 0.00 H ATOM 571 HE21 GLN A 105 5.232 16.999 18.105 1.00 0.00 H ATOM 572 H GLN A 105 11.976 15.440 16.243 1.00 0.00 H ATOM 573 N ALA A 106 10.184 13.290 19.272 1.00 13.55 N ATOM 574 CA ALA A 106 9.873 11.872 19.408 1.00 13.21 C ATOM 575 C ALA A 106 8.870 11.648 20.537 1.00 13.09 C ATOM 576 O ALA A 106 8.359 12.603 21.125 1.00 12.36 O ATOM 577 CB ALA A 106 11.150 11.089 19.682 1.00 13.18 C ATOM 578 H ALA A 106 10.098 13.908 20.104 1.00 0.00 H ATOM 579 N GLY A 107 8.592 10.384 20.844 1.00 13.81 N ATOM 580 CA GLY A 107 7.826 10.054 22.037 1.00 13.85 C ATOM 581 C GLY A 107 6.394 9.587 21.820 1.00 14.37 C ATOM 582 O GLY A 107 5.673 9.302 22.783 1.00 14.29 O ATOM 583 H GLY A 107 8.927 9.620 20.223 1.00 0.00 H ATOM 584 N ASP A 108 5.962 9.509 20.566 1.00 15.11 N ATOM 585 CA ASP A 108 4.628 8.992 20.284 1.00 16.07 C ATOM 586 C ASP A 108 4.702 7.474 20.139 1.00 17.48 C ATOM 587 O ASP A 108 4.825 6.958 19.031 1.00 18.01 O ATOM 588 CB ASP A 108 4.058 9.624 19.012 1.00 16.06 C ATOM 589 CG ASP A 108 2.639 9.157 18.706 1.00 16.41 C ATOM 590 OD1 ASP A 108 2.133 8.261 19.417 1.00 16.49 O ATOM 591 OD2 ASP A 108 2.030 9.682 17.747 1.00 16.69 O ATOM 592 H ASP A 108 6.576 9.817 19.785 1.00 0.00 H ATOM 593 N PHE A 109 4.612 6.762 21.259 1.00 18.34 N ATOM 594 CA PHE A 109 4.734 5.305 21.242 1.00 19.60 C ATOM 595 C PHE A 109 3.396 4.591 21.036 1.00 21.25 C ATOM 596 O PHE A 109 3.354 3.365 20.950 1.00 22.16 O ATOM 597 CB PHE A 109 5.428 4.787 22.514 1.00 19.18 C ATOM 598 CG PHE A 109 4.779 5.239 23.795 1.00 18.61 C ATOM 599 CD1 PHE A 109 3.659 4.582 24.297 1.00 19.02 C ATOM 600 CD2 PHE A 109 5.302 6.305 24.511 1.00 17.83 C ATOM 601 CE1 PHE A 109 3.058 4.996 25.481 1.00 18.85 C ATOM 602 CE2 PHE A 109 4.709 6.729 25.698 1.00 17.60 C ATOM 603 CZ PHE A 109 3.584 6.077 26.183 1.00 18.04 C ATOM 604 H PHE A 109 4.452 7.250 22.163 1.00 0.00 H ATOM 605 N THR A 110 2.307 5.352 20.976 1.00 21.75 N ATOM 606 CA THR A 110 0.995 4.763 20.718 1.00 23.40 C ATOM 607 C THR A 110 0.629 4.798 19.233 1.00 25.08 C ATOM 608 O THR A 110 0.225 3.778 18.680 1.00 25.96 O ATOM 609 CB THR A 110 -0.146 5.423 21.548 1.00 18.32 C ATOM 610 OG1 THR A 110 -0.180 6.832 21.310 1.00 18.08 O ATOM 611 CG2 THR A 110 0.044 5.178 23.039 1.00 18.16 C ATOM 612 HG1 THR A 110 -0.909 7.238 21.843 1.00 0.00 H ATOM 613 H THR A 110 2.390 6.379 21.114 1.00 0.00 H ATOM 614 N ASN A 111 0.766 5.962 18.592 1.00 25.49 N ATOM 615 CA ASN A 111 0.319 6.128 17.200 1.00 26.72 C ATOM 616 C ASN A 111 1.447 6.324 16.192 1.00 26.96 C ATOM 617 O ASN A 111 1.227 6.274 14.980 1.00 27.58 O ATOM 618 CB ASN A 111 -0.677 7.281 17.081 1.00 27.12 C ATOM 619 CG ASN A 111 -1.966 7.016 17.832 1.00 28.09 C ATOM 620 OD1 ASN A 111 -2.351 5.867 18.029 1.00 29.15 O ATOM 621 ND2 ASN A 111 -2.643 8.079 18.249 1.00 27.90 N ATOM 622 HD22 ASN A 111 -2.279 9.035 18.060 1.00 0.00 H ATOM 623 HD21 ASN A 111 -3.538 7.956 18.765 1.00 0.00 H ATOM 624 H ASN A 111 1.198 6.768 19.087 1.00 0.00 H ATOM 625 N HIS A 112 2.648 6.580 16.696 1.00 26.52 N ATOM 626 CA HIS A 112 3.838 6.696 15.854 1.00 26.47 C ATOM 627 C HIS A 112 3.776 7.767 14.759 1.00 26.20 C ATOM 628 O HIS A 112 4.459 7.652 13.741 1.00 27.05 O ATOM 629 CB HIS A 112 4.160 5.332 15.238 1.00 27.53 C ATOM 630 CG HIS A 112 4.255 4.235 16.252 1.00 27.87 C ATOM 631 ND1 HIS A 112 5.388 4.020 17.000 1.00 27.79 N ATOM 632 CD2 HIS A 112 3.343 3.326 16.669 1.00 28.46 C ATOM 633 CE1 HIS A 112 5.181 3.005 17.827 1.00 28.02 C ATOM 634 NE2 HIS A 112 3.947 2.568 17.643 1.00 28.56 N ATOM 635 H HIS A 112 2.746 6.702 17.724 1.00 0.00 H ATOM 636 N ASN A 113 2.975 8.808 14.959 1.00 24.95 N ATOM 637 CA ASN A 113 2.849 9.839 13.927 1.00 24.19 C ATOM 638 C ASN A 113 2.699 11.259 14.459 1.00 23.05 C ATOM 639 O ASN A 113 2.454 12.189 13.690 1.00 23.49 O ATOM 640 CB ASN A 113 1.710 9.511 12.961 1.00 24.55 C ATOM 641 CG ASN A 113 0.362 9.398 13.652 1.00 24.70 C ATOM 642 OD1 ASN A 113 0.191 9.800 14.807 1.00 23.99 O ATOM 643 ND2 ASN A 113 -0.607 8.845 12.939 1.00 25.41 N ATOM 644 HD22 ASN A 113 -0.419 8.520 11.969 1.00 0.00 H ATOM 645 HD21 ASN A 113 -1.557 8.735 13.349 1.00 0.00 H ATOM 646 H ASN A 113 2.439 8.890 15.846 1.00 0.00 H ATOM 647 N GLY A 114 2.835 11.423 15.767 1.00 21.56 N ATOM 648 CA GLY A 114 2.717 12.738 16.363 1.00 20.94 C ATOM 649 C GLY A 114 1.353 13.054 16.950 1.00 20.66 C ATOM 650 O GLY A 114 1.146 14.145 17.465 1.00 20.73 O ATOM 651 H GLY A 114 3.028 10.599 16.372 1.00 0.00 H ATOM 652 N THR A 115 0.419 12.112 16.893 1.00 20.38 N ATOM 653 CA THR A 115 -0.901 12.356 17.464 1.00 20.13 C ATOM 654 C THR A 115 -1.095 11.695 18.818 1.00 20.24 C ATOM 655 O THR A 115 -2.088 11.954 19.503 1.00 21.18 O ATOM 656 CB THR A 115 -2.027 11.836 16.554 1.00 20.45 C ATOM 657 OG1 THR A 115 -1.909 10.413 16.407 1.00 20.55 O ATOM 658 CG2 THR A 115 -1.982 12.516 15.189 1.00 20.72 C ATOM 659 HG1 THR A 115 -1.032 10.196 16.003 1.00 0.00 H ATOM 660 H THR A 115 0.629 11.199 16.441 1.00 0.00 H ATOM 661 N GLY A 116 -0.165 10.837 19.209 1.00 19.27 N ATOM 662 CA GLY A 116 -0.420 9.978 20.348 1.00 18.87 C ATOM 663 C GLY A 116 0.552 10.099 21.494 1.00 18.08 C ATOM 664 O GLY A 116 1.202 11.131 21.672 1.00 17.59 O ATOM 665 H GLY A 116 0.742 10.780 18.702 1.00 0.00 H ATOM 666 N GLY A 117 0.654 9.020 22.264 1.00 17.77 N ATOM 667 CA GLY A 117 1.451 9.008 23.470 1.00 16.81 C ATOM 668 C GLY A 117 0.562 9.252 24.669 1.00 16.35 C ATOM 669 O GLY A 117 -0.551 9.750 24.526 1.00 16.55 O ATOM 670 H GLY A 117 0.144 8.156 21.990 1.00 0.00 H ATOM 671 N LYS A 118 1.049 8.883 25.846 1.00 15.56 N ATOM 672 CA LYS A 118 0.355 9.166 27.096 1.00 14.92 C ATOM 673 C LYS A 118 1.388 9.340 28.202 1.00 14.16 C ATOM 674 O LYS A 118 2.541 8.953 28.041 1.00 13.70 O ATOM 675 CB LYS A 118 -0.638 8.052 27.437 1.00 15.17 C ATOM 676 CG LYS A 118 -0.031 6.674 27.583 1.00 15.50 C ATOM 677 CD LYS A 118 -1.110 5.614 27.815 1.00 16.31 C ATOM 678 CE LYS A 118 -0.499 4.221 27.889 1.00 16.66 C ATOM 679 NZ LYS A 118 -1.507 3.134 27.725 1.00 17.38 N ATOM 680 HZ1 LYS A 118 -2.220 3.208 28.478 1.00 0.00 H ATOM 681 HZ2 LYS A 118 -1.969 3.228 26.798 1.00 0.00 H ATOM 682 HZ3 LYS A 118 -1.032 2.211 27.784 1.00 0.00 H ATOM 683 H LYS A 118 1.956 8.375 25.878 1.00 0.00 H ATOM 684 N SER A 119 0.990 9.942 29.318 1.00 14.17 N ATOM 685 CA SER A 119 1.913 10.108 30.434 1.00 13.78 C ATOM 686 C SER A 119 1.679 8.997 31.450 1.00 13.97 C ATOM 687 O SER A 119 0.754 8.187 31.298 1.00 14.40 O ATOM 688 CB SER A 119 1.750 11.486 31.085 1.00 13.81 C ATOM 689 OG SER A 119 0.659 11.513 31.993 1.00 14.20 O ATOM 690 HG SER A 119 -0.177 11.296 31.509 1.00 0.00 H ATOM 691 H SER A 119 0.015 10.296 29.395 1.00 0.00 H ATOM 692 N ILE A 120 2.508 8.953 32.487 1.00 13.67 N ATOM 693 CA ILE A 120 2.310 7.953 33.528 1.00 14.21 C ATOM 694 C ILE A 120 1.134 8.345 34.426 1.00 14.65 C ATOM 695 O ILE A 120 0.656 7.538 35.222 1.00 15.44 O ATOM 696 CB ILE A 120 3.593 7.684 34.372 1.00 11.62 C ATOM 697 CG1 ILE A 120 3.951 8.889 35.238 1.00 11.89 C ATOM 698 CG2 ILE A 120 4.788 7.292 33.469 1.00 11.33 C ATOM 699 CD1 ILE A 120 5.242 8.712 36.028 1.00 11.62 C ATOM 700 H ILE A 120 3.295 9.629 32.556 1.00 0.00 H ATOM 701 N TYR A 121 0.641 9.572 34.266 1.00 14.36 N ATOM 702 CA TYR A 121 -0.418 10.096 35.141 1.00 14.65 C ATOM 703 C TYR A 121 -1.835 9.971 34.580 1.00 14.73 C ATOM 704 O TYR A 121 -2.810 10.047 35.323 1.00 14.76 O ATOM 705 CB TYR A 121 -0.172 11.575 35.442 1.00 14.52 C ATOM 706 CG TYR A 121 1.206 11.871 35.955 1.00 14.29 C ATOM 707 CD1 TYR A 121 1.635 11.359 37.180 1.00 14.65 C ATOM 708 CD2 TYR A 121 2.082 12.672 35.227 1.00 13.81 C ATOM 709 CE1 TYR A 121 2.907 11.623 37.656 1.00 14.58 C ATOM 710 CE2 TYR A 121 3.353 12.942 35.694 1.00 13.56 C ATOM 711 CZ TYR A 121 3.758 12.418 36.906 1.00 14.22 C ATOM 712 OH TYR A 121 5.022 12.686 37.368 1.00 14.35 O ATOM 713 HH TYR A 121 5.133 13.664 37.475 1.00 0.00 H ATOM 714 H TYR A 121 1.014 10.174 33.504 1.00 0.00 H ATOM 715 N GLY A 122 -1.933 9.806 33.263 1.00 14.91 N ATOM 716 CA GLY A 122 -3.190 9.893 32.535 1.00 15.19 C ATOM 717 C GLY A 122 -2.845 10.288 31.105 1.00 15.07 C ATOM 718 O GLY A 122 -1.662 10.303 30.753 1.00 14.71 O ATOM 719 H GLY A 122 -1.066 9.604 32.726 1.00 0.00 H ATOM 720 N SER A 123 -3.835 10.613 30.278 1.00 15.22 N ATOM 721 CA SER A 123 -3.527 10.958 28.888 1.00 15.67 C ATOM 722 C SER A 123 -2.707 12.234 28.781 1.00 16.23 C ATOM 723 O SER A 123 -1.826 12.332 27.926 1.00 16.48 O ATOM 724 CB SER A 123 -4.787 11.039 28.024 1.00 16.03 C ATOM 725 OG SER A 123 -5.651 12.070 28.458 1.00 16.27 O ATOM 726 HG SER A 123 -6.453 12.093 27.878 1.00 0.00 H ATOM 727 H SER A 123 -4.819 10.622 30.615 1.00 0.00 H ATOM 728 N ARG A 124 -3.010 13.209 29.642 1.00 16.32 N ATOM 729 CA ARG A 124 -2.341 14.513 29.629 1.00 16.33 C ATOM 730 C ARG A 124 -2.110 14.995 31.049 1.00 15.43 C ATOM 731 O ARG A 124 -2.844 14.603 31.956 1.00 15.33 O ATOM 732 CB ARG A 124 -3.132 15.528 28.790 1.00 17.37 C ATOM 733 CG ARG A 124 -3.497 15.059 27.356 1.00 18.58 C ATOM 734 CD ARG A 124 -2.286 14.958 26.416 1.00 18.37 C ATOM 735 NE ARG A 124 -2.639 14.490 25.071 1.00 18.72 N ATOM 736 CZ ARG A 124 -2.235 13.335 24.543 1.00 18.55 C ATOM 737 NH1 ARG A 124 -1.458 12.519 25.242 1.00 18.01 N ATOM 738 NH2 ARG A 124 -2.601 12.998 23.311 1.00 18.90 N ATOM 739 HE ARG A 124 -3.246 15.102 24.489 1.00 0.00 H ATOM 740 HH12 ARG A 124 -1.144 11.618 24.828 1.00 0.00 H ATOM 741 HH11 ARG A 124 -1.163 12.780 26.204 1.00 0.00 H ATOM 742 HH22 ARG A 124 -2.284 12.096 22.903 1.00 0.00 H ATOM 743 HH21 ARG A 124 -3.205 13.636 22.755 1.00 0.00 H ATOM 744 H ARG A 124 -3.751 13.036 30.351 1.00 0.00 H ATOM 745 N PHE A 125 -1.121 15.865 31.246 1.00 14.46 N ATOM 746 CA PHE A 125 -0.944 16.523 32.536 1.00 14.13 C ATOM 747 C PHE A 125 -0.545 17.992 32.354 1.00 13.92 C ATOM 748 O PHE A 125 -0.058 18.371 31.284 1.00 14.16 O ATOM 749 CB PHE A 125 0.026 15.737 33.441 1.00 13.77 C ATOM 750 CG PHE A 125 1.453 15.734 32.975 1.00 13.22 C ATOM 751 CD1 PHE A 125 1.864 14.865 31.977 1.00 12.79 C ATOM 752 CD2 PHE A 125 2.390 16.561 33.572 1.00 13.19 C ATOM 753 CE1 PHE A 125 3.179 14.829 31.564 1.00 12.65 C ATOM 754 CE2 PHE A 125 3.711 16.541 33.166 1.00 13.03 C ATOM 755 CZ PHE A 125 4.108 15.675 32.151 1.00 12.78 C ATOM 756 H PHE A 125 -0.465 16.079 30.468 1.00 0.00 H ATOM 757 N PRO A 126 -0.777 18.829 33.379 1.00 13.94 N ATOM 758 CA PRO A 126 -0.563 20.275 33.233 1.00 13.98 C ATOM 759 C PRO A 126 0.886 20.687 33.028 1.00 13.55 C ATOM 760 O PRO A 126 1.809 19.936 33.356 1.00 13.22 O ATOM 761 CB PRO A 126 -1.030 20.844 34.581 1.00 14.46 C ATOM 762 CG PRO A 126 -1.906 19.820 35.156 1.00 14.81 C ATOM 763 CD PRO A 126 -1.388 18.502 34.683 1.00 14.21 C ATOM 764 N ASP A 127 1.070 21.901 32.514 1.00 13.61 N ATOM 765 CA ASP A 127 2.382 22.534 32.483 1.00 13.15 C ATOM 766 C ASP A 127 2.828 22.827 33.906 1.00 13.00 C ATOM 767 O ASP A 127 2.158 23.559 34.624 1.00 13.48 O ATOM 768 CB ASP A 127 2.310 23.826 31.682 1.00 13.50 C ATOM 769 CG ASP A 127 1.918 23.585 30.243 1.00 13.73 C ATOM 770 OD1 ASP A 127 2.410 22.612 29.636 1.00 14.02 O ATOM 771 OD2 ASP A 127 1.103 24.355 29.714 1.00 14.02 O ATOM 772 H ASP A 127 0.253 22.413 32.123 1.00 0.00 H ATOM 773 N GLU A 128 3.960 22.257 34.310 1.00 12.35 N ATOM 774 CA GLU A 128 4.401 22.311 35.702 1.00 11.74 C ATOM 775 C GLU A 128 4.855 23.717 36.066 1.00 11.89 C ATOM 776 O GLU A 128 4.352 24.317 37.018 1.00 11.59 O ATOM 777 CB GLU A 128 5.537 21.312 35.926 1.00 10.96 C ATOM 778 CG GLU A 128 5.978 21.157 37.376 1.00 10.80 C ATOM 779 CD GLU A 128 6.751 19.868 37.584 1.00 10.54 C ATOM 780 OE1 GLU A 128 7.182 19.256 36.578 1.00 10.09 O ATOM 781 OE2 GLU A 128 6.906 19.455 38.748 1.00 11.00 O ATOM 782 H GLU A 128 4.549 21.758 33.614 1.00 0.00 H ATOM 783 N ASN A 129 5.820 24.224 35.308 1.00 11.99 N ATOM 784 CA ASN A 129 6.233 25.619 35.392 1.00 12.98 C ATOM 785 C ASN A 129 7.036 25.948 34.146 1.00 13.38 C ATOM 786 O ASN A 129 7.366 25.053 33.375 1.00 13.43 O ATOM 787 CB ASN A 129 7.062 25.903 36.657 1.00 13.12 C ATOM 788 CG ASN A 129 8.363 25.109 36.707 1.00 12.83 C ATOM 789 OD1 ASN A 129 9.221 25.231 35.831 1.00 12.29 O ATOM 790 ND2 ASN A 129 8.511 24.296 37.742 1.00 12.87 N ATOM 791 HD22 ASN A 129 7.761 24.224 38.458 1.00 0.00 H ATOM 792 HD21 ASN A 129 9.378 23.729 37.838 1.00 0.00 H ATOM 793 H ASN A 129 6.300 23.601 34.628 1.00 0.00 H ATOM 794 N PHE A 130 7.377 27.215 33.961 1.00 14.19 N ATOM 795 CA PHE A 130 8.214 27.619 32.831 1.00 14.91 C ATOM 796 C PHE A 130 9.518 28.263 33.307 1.00 15.57 C ATOM 797 O PHE A 130 9.970 29.267 32.757 1.00 16.16 O ATOM 798 CB PHE A 130 7.443 28.559 31.897 1.00 15.44 C ATOM 799 CG PHE A 130 6.207 27.936 31.305 1.00 15.95 C ATOM 800 CD1 PHE A 130 6.309 26.964 30.321 1.00 15.97 C ATOM 801 CD2 PHE A 130 4.947 28.307 31.746 1.00 16.94 C ATOM 802 CE1 PHE A 130 5.178 26.373 29.772 1.00 16.15 C ATOM 803 CE2 PHE A 130 3.804 27.719 31.202 1.00 17.28 C ATOM 804 CZ PHE A 130 3.924 26.751 30.213 1.00 16.68 C ATOM 805 H PHE A 130 7.043 27.936 34.632 1.00 0.00 H ATOM 806 N THR A 131 10.125 27.676 34.335 1.00 15.47 N ATOM 807 CA THR A 131 11.309 28.271 34.950 1.00 15.89 C ATOM 808 C THR A 131 12.585 28.097 34.113 1.00 15.39 C ATOM 809 O THR A 131 13.375 29.030 33.976 1.00 15.37 O ATOM 810 CB THR A 131 11.517 27.719 36.357 1.00 16.73 C ATOM 811 OG1 THR A 131 10.387 28.078 37.160 1.00 17.47 O ATOM 812 CG2 THR A 131 12.796 28.287 36.984 1.00 17.21 C ATOM 813 HG1 THR A 131 10.510 27.725 38.077 1.00 0.00 H ATOM 814 H THR A 131 9.751 26.780 34.707 1.00 0.00 H ATOM 815 N LEU A 132 12.791 26.915 33.546 1.00 14.83 N ATOM 816 CA LEU A 132 13.920 26.717 32.627 1.00 14.34 C ATOM 817 C LEU A 132 13.586 27.254 31.229 1.00 14.81 C ATOM 818 O LEU A 132 12.449 27.135 30.767 1.00 14.65 O ATOM 819 CB LEU A 132 14.300 25.240 32.558 1.00 13.64 C ATOM 820 CG LEU A 132 14.901 24.661 33.849 1.00 14.00 C ATOM 821 CD1 LEU A 132 14.853 23.131 33.852 1.00 13.48 C ATOM 822 CD2 LEU A 132 16.336 25.142 34.033 1.00 14.53 C ATOM 823 H LEU A 132 12.149 26.124 33.754 1.00 0.00 H ATOM 824 N LYS A 133 14.577 27.842 30.559 1.00 15.39 N ATOM 825 CA LYS A 133 14.380 28.426 29.233 1.00 15.96 C ATOM 826 C LYS A 133 15.038 27.585 28.138 1.00 15.41 C ATOM 827 O LYS A 133 15.886 26.733 28.413 1.00 14.62 O ATOM 828 CB LYS A 133 14.959 29.840 29.180 1.00 17.38 C ATOM 829 CG LYS A 133 14.605 30.721 30.372 1.00 18.70 C ATOM 830 CD LYS A 133 13.133 31.078 30.392 1.00 19.66 C ATOM 831 CE LYS A 133 12.750 31.739 31.709 1.00 20.70 C ATOM 832 NZ LYS A 133 11.285 31.692 31.953 1.00 21.01 N ATOM 833 HZ1 LYS A 133 10.791 32.189 31.185 1.00 0.00 H ATOM 834 HZ2 LYS A 133 10.972 30.701 31.984 1.00 0.00 H ATOM 835 HZ3 LYS A 133 11.071 32.153 32.860 1.00 0.00 H ATOM 836 H LYS A 133 15.521 27.887 30.993 1.00 0.00 H ATOM 837 N HIS A 134 14.647 27.837 26.894 1.00 15.69 N ATOM 838 CA HIS A 134 15.271 27.177 25.756 1.00 15.74 C ATOM 839 C HIS A 134 16.543 27.958 25.406 1.00 16.73 C ATOM 840 O HIS A 134 16.522 28.814 24.534 1.00 17.29 O ATOM 841 CB HIS A 134 14.300 27.120 24.571 1.00 15.51 C ATOM 842 CG HIS A 134 13.027 26.363 24.856 1.00 14.90 C ATOM 843 ND1 HIS A 134 11.985 26.901 25.584 1.00 14.82 N ATOM 844 CD2 HIS A 134 12.635 25.123 24.501 1.00 14.46 C ATOM 845 CE1 HIS A 134 11.000 26.024 25.659 1.00 14.46 C ATOM 846 NE2 HIS A 134 11.373 24.922 25.013 1.00 14.34 N ATOM 847 H HIS A 134 13.880 28.519 26.729 1.00 0.00 H ATOM 848 N VAL A 135 17.647 27.667 26.098 1.00 17.10 N ATOM 849 CA VAL A 135 18.851 28.512 26.020 1.00 18.25 C ATOM 850 C VAL A 135 19.826 28.195 24.883 1.00 18.84 C ATOM 851 O VAL A 135 20.711 28.995 24.583 1.00 19.78 O ATOM 852 CB VAL A 135 19.653 28.495 27.340 1.00 18.23 C ATOM 853 CG1 VAL A 135 18.797 28.997 28.487 1.00 18.48 C ATOM 854 CG2 VAL A 135 20.168 27.099 27.629 1.00 17.69 C ATOM 855 H VAL A 135 17.657 26.824 26.707 1.00 0.00 H ATOM 856 N GLY A 136 19.683 27.032 24.262 1.00 18.33 N ATOM 857 CA GLY A 136 20.576 26.651 23.186 1.00 18.37 C ATOM 858 C GLY A 136 20.398 25.194 22.805 1.00 17.88 C ATOM 859 O GLY A 136 19.440 24.545 23.231 1.00 17.18 O ATOM 860 H GLY A 136 18.921 26.386 24.551 1.00 0.00 H ATOM 861 N PRO A 137 21.333 24.668 22.007 1.00 18.00 N ATOM 862 CA PRO A 137 21.277 23.276 21.545 1.00 17.41 C ATOM 863 C PRO A 137 21.387 22.318 22.730 1.00 16.52 C ATOM 864 O PRO A 137 22.089 22.618 23.689 1.00 16.82 O ATOM 865 CB PRO A 137 22.518 23.154 20.653 1.00 17.87 C ATOM 866 CG PRO A 137 22.935 24.583 20.344 1.00 18.74 C ATOM 867 CD PRO A 137 22.555 25.354 21.559 1.00 18.68 C ATOM 868 N GLY A 138 20.687 21.193 22.676 1.00 15.65 N ATOM 869 CA GLY A 138 20.789 20.200 23.730 1.00 14.93 C ATOM 870 C GLY A 138 19.685 20.282 24.768 1.00 14.55 C ATOM 871 O GLY A 138 19.532 19.379 25.578 1.00 14.67 O ATOM 872 H GLY A 138 20.056 21.020 21.867 1.00 0.00 H ATOM 873 N VAL A 139 18.919 21.367 24.754 1.00 14.34 N ATOM 874 CA VAL A 139 17.775 21.513 25.655 1.00 13.51 C ATOM 875 C VAL A 139 16.696 20.475 25.339 1.00 13.06 C ATOM 876 O VAL A 139 16.389 20.223 24.170 1.00 12.98 O ATOM 877 CB VAL A 139 17.178 22.940 25.568 1.00 13.60 C ATOM 878 CG1 VAL A 139 15.774 23.000 26.187 1.00 13.20 C ATOM 879 CG2 VAL A 139 18.119 23.958 26.209 1.00 13.47 C ATOM 880 H VAL A 139 19.138 22.133 24.085 1.00 0.00 H ATOM 881 N LEU A 140 16.146 19.870 26.393 1.00 12.84 N ATOM 882 CA LEU A 140 15.100 18.853 26.286 1.00 12.82 C ATOM 883 C LEU A 140 13.773 19.429 26.778 1.00 12.14 C ATOM 884 O LEU A 140 13.691 19.953 27.887 1.00 12.06 O ATOM 885 CB LEU A 140 15.492 17.638 27.129 1.00 13.10 C ATOM 886 CG LEU A 140 14.566 16.433 27.262 1.00 13.57 C ATOM 887 CD1 LEU A 140 14.405 15.707 25.931 1.00 13.75 C ATOM 888 CD2 LEU A 140 15.121 15.494 28.338 1.00 13.88 C ATOM 889 H LEU A 140 16.479 20.136 27.342 1.00 0.00 H ATOM 890 N SER A 141 12.733 19.323 25.959 1.00 11.87 N ATOM 891 CA SER A 141 11.497 20.056 26.220 1.00 12.06 C ATOM 892 C SER A 141 10.267 19.223 25.831 1.00 11.79 C ATOM 893 O SER A 141 10.354 18.362 24.940 1.00 11.61 O ATOM 894 CB SER A 141 11.533 21.371 25.431 1.00 12.82 C ATOM 895 OG SER A 141 10.519 22.270 25.839 1.00 13.37 O ATOM 896 HG SER A 141 10.581 23.101 25.304 1.00 0.00 H ATOM 897 H SER A 141 12.800 18.710 25.121 1.00 0.00 H ATOM 898 N MET A 142 9.133 19.468 26.496 1.00 11.45 N ATOM 899 CA MET A 142 7.893 18.752 26.193 1.00 11.27 C ATOM 900 C MET A 142 7.204 19.320 24.960 1.00 11.89 C ATOM 901 O MET A 142 7.017 20.530 24.862 1.00 11.97 O ATOM 902 CB MET A 142 6.919 18.829 27.369 1.00 11.66 C ATOM 903 CG MET A 142 7.360 18.058 28.615 1.00 11.53 C ATOM 904 SD MET A 142 7.651 16.312 28.286 1.00 13.12 S ATOM 905 CE MET A 142 5.996 15.650 28.153 1.00 16.54 C ATOM 906 H MET A 142 9.132 20.186 27.248 1.00 0.00 H ATOM 907 N ALA A 143 6.837 18.445 24.023 1.00 12.47 N ATOM 908 CA ALA A 143 5.962 18.818 22.920 1.00 12.77 C ATOM 909 C ALA A 143 4.547 18.890 23.473 1.00 13.33 C ATOM 910 O ALA A 143 4.242 18.274 24.504 1.00 13.01 O ATOM 911 CB ALA A 143 6.042 17.790 21.797 1.00 13.01 C ATOM 912 H ALA A 143 7.186 17.467 24.082 1.00 0.00 H ATOM 913 N ASN A 144 3.680 19.651 22.813 1.00 14.10 N ATOM 914 CA ASN A 144 2.305 19.754 23.281 1.00 14.80 C ATOM 915 C ASN A 144 1.355 20.224 22.191 1.00 15.74 C ATOM 916 O ASN A 144 1.784 20.546 21.074 1.00 15.92 O ATOM 917 CB ASN A 144 2.197 20.625 24.549 1.00 14.86 C ATOM 918 CG ASN A 144 2.547 22.094 24.306 1.00 15.57 C ATOM 919 OD1 ASN A 144 2.034 22.730 23.382 1.00 16.02 O ATOM 920 ND2 ASN A 144 3.414 22.644 25.160 1.00 15.33 N ATOM 921 HD22 ASN A 144 3.824 22.072 25.926 1.00 0.00 H ATOM 922 HD21 ASN A 144 3.680 23.644 25.059 1.00 0.00 H ATOM 923 H ASN A 144 3.983 20.171 21.965 1.00 0.00 H ATOM 924 N ALA A 145 0.068 20.252 22.527 1.00 16.23 N ATOM 925 CA ALA A 145 -0.966 20.710 21.609 1.00 16.88 C ATOM 926 C ALA A 145 -1.675 21.907 22.211 1.00 17.01 C ATOM 927 O ALA A 145 -2.888 22.042 22.090 1.00 18.10 O ATOM 928 CB ALA A 145 -1.957 19.599 21.330 1.00 16.90 C ATOM 929 H ALA A 145 -0.209 19.936 23.478 1.00 0.00 H ATOM 930 N GLY A 146 -0.905 22.776 22.856 1.00 16.09 N ATOM 931 CA GLY A 146 -1.461 23.905 23.575 1.00 15.82 C ATOM 932 C GLY A 146 -1.215 23.771 25.064 1.00 15.10 C ATOM 933 O GLY A 146 -0.623 22.788 25.511 1.00 14.31 O ATOM 934 H GLY A 146 0.126 22.643 22.845 1.00 0.00 H ATOM 935 N PRO A 147 -1.655 24.773 25.837 1.00 15.21 N ATOM 936 CA PRO A 147 -1.505 24.797 27.294 1.00 14.90 C ATOM 937 C PRO A 147 -2.006 23.504 27.934 1.00 14.75 C ATOM 938 O PRO A 147 -3.075 23.012 27.556 1.00 15.31 O ATOM 939 CB PRO A 147 -2.412 25.957 27.704 1.00 15.46 C ATOM 940 CG PRO A 147 -2.359 26.886 26.543 1.00 15.98 C ATOM 941 CD PRO A 147 -2.254 26.017 25.320 1.00 15.71 C ATOM 942 N ASN A 148 -1.232 22.953 28.863 1.00 13.91 N ATOM 943 CA ASN A 148 -1.701 21.847 29.694 1.00 13.82 C ATOM 944 C ASN A 148 -2.120 20.598 28.915 1.00 14.06 C ATOM 945 O ASN A 148 -3.167 19.999 29.184 1.00 14.47 O ATOM 946 CB ASN A 148 -2.844 22.320 30.590 1.00 13.95 C ATOM 947 CG ASN A 148 -2.475 23.554 31.391 1.00 13.97 C ATOM 948 OD1 ASN A 148 -1.477 23.558 32.119 1.00 13.60 O ATOM 949 ND2 ASN A 148 -3.273 24.612 31.251 1.00 14.19 N ATOM 950 HD22 ASN A 148 -4.102 24.559 30.625 1.00 0.00 H ATOM 951 HD21 ASN A 148 -3.067 25.491 31.767 1.00 0.00 H ATOM 952 H ASN A 148 -0.268 23.318 29.002 1.00 0.00 H ATOM 953 N THR A 149 -1.302 20.206 27.947 1.00 13.85 N ATOM 954 CA THR A 149 -1.563 18.981 27.206 1.00 13.77 C ATOM 955 C THR A 149 -0.300 18.132 27.069 1.00 13.38 C ATOM 956 O THR A 149 -0.093 17.493 26.046 1.00 13.63 O ATOM 957 CB THR A 149 -2.143 19.274 25.804 1.00 13.73 C ATOM 958 OG1 THR A 149 -1.211 20.065 25.060 1.00 13.52 O ATOM 959 CG2 THR A 149 -3.476 20.028 25.904 1.00 14.17 C ATOM 960 HG1 THR A 149 -1.049 20.918 25.536 1.00 0.00 H ATOM 961 H THR A 149 -0.466 20.780 27.715 1.00 0.00 H ATOM 962 N ASN A 150 0.538 18.121 28.100 1.00 12.68 N ATOM 963 CA ASN A 150 1.737 17.292 28.091 1.00 12.41 C ATOM 964 C ASN A 150 1.387 15.816 28.122 1.00 12.85 C ATOM 965 O ASN A 150 0.522 15.403 28.891 1.00 13.05 O ATOM 966 CB ASN A 150 2.617 17.627 29.287 1.00 11.81 C ATOM 967 CG ASN A 150 3.043 19.069 29.285 1.00 11.99 C ATOM 968 OD1 ASN A 150 3.896 19.468 28.484 1.00 12.07 O ATOM 969 ND2 ASN A 150 2.429 19.876 30.156 1.00 11.84 N ATOM 970 HD22 ASN A 150 1.718 19.491 30.810 1.00 0.00 H ATOM 971 HD21 ASN A 150 2.663 20.889 30.180 1.00 0.00 H ATOM 972 H ASN A 150 0.335 18.715 28.929 1.00 0.00 H ATOM 973 N GLY A 151 2.052 15.026 27.289 1.00 12.48 N ATOM 974 CA GLY A 151 1.806 13.597 27.257 1.00 12.66 C ATOM 975 C GLY A 151 3.119 12.862 27.411 1.00 12.39 C ATOM 976 O GLY A 151 3.686 12.806 28.520 1.00 12.19 O ATOM 977 H GLY A 151 2.761 15.438 26.649 1.00 0.00 H ATOM 978 N SER A 152 3.622 12.318 26.303 1.00 11.88 N ATOM 979 CA SER A 152 4.922 11.656 26.321 1.00 12.09 C ATOM 980 C SER A 152 5.867 12.225 25.262 1.00 12.41 C ATOM 981 O SER A 152 7.073 11.970 25.292 1.00 12.75 O ATOM 982 CB SER A 152 4.758 10.159 26.102 1.00 12.27 C ATOM 983 OG SER A 152 4.225 9.927 24.814 1.00 12.73 O ATOM 984 HG SER A 152 4.841 10.295 24.132 1.00 0.00 H ATOM 985 H SER A 152 3.082 12.366 25.416 1.00 0.00 H ATOM 986 N GLN A 153 5.323 12.996 24.327 1.00 12.33 N ATOM 987 CA GLN A 153 6.135 13.537 23.242 1.00 12.43 C ATOM 988 C GLN A 153 7.083 14.627 23.718 1.00 12.39 C ATOM 989 O GLN A 153 6.701 15.491 24.516 1.00 12.69 O ATOM 990 CB GLN A 153 5.252 14.071 22.110 1.00 12.59 C ATOM 991 CG GLN A 153 4.543 12.972 21.330 1.00 13.29 C ATOM 992 CD GLN A 153 3.808 13.509 20.126 1.00 13.60 C ATOM 993 OE1 GLN A 153 4.401 14.167 19.275 1.00 13.42 O ATOM 994 NE2 GLN A 153 2.507 13.240 20.051 1.00 14.03 N ATOM 995 HE22 GLN A 153 2.048 12.678 20.796 1.00 0.00 H ATOM 996 HE21 GLN A 153 1.949 13.591 19.247 1.00 0.00 H ATOM 997 H GLN A 153 4.307 13.216 24.369 1.00 0.00 H ATOM 998 N PHE A 154 8.308 14.598 23.202 1.00 12.29 N ATOM 999 CA PHE A 154 9.340 15.528 23.626 1.00 12.62 C ATOM 1000 C PHE A 154 10.199 15.928 22.440 1.00 13.22 C ATOM 1001 O PHE A 154 10.151 15.288 21.388 1.00 13.50 O ATOM 1002 CB PHE A 154 10.227 14.877 24.692 1.00 12.86 C ATOM 1003 CG PHE A 154 10.980 13.667 24.201 1.00 13.58 C ATOM 1004 CD1 PHE A 154 12.281 13.781 23.735 1.00 14.00 C ATOM 1005 CD2 PHE A 154 10.385 12.416 24.204 1.00 13.90 C ATOM 1006 CE1 PHE A 154 12.970 12.673 23.283 1.00 14.45 C ATOM 1007 CE2 PHE A 154 11.072 11.307 23.758 1.00 14.32 C ATOM 1008 CZ PHE A 154 12.363 11.436 23.294 1.00 14.58 C ATOM 1009 H PHE A 154 8.534 13.890 22.475 1.00 0.00 H ATOM 1010 N PHE A 155 10.999 16.974 22.611 1.00 13.36 N ATOM 1011 CA PHE A 155 11.980 17.323 21.591 1.00 14.18 C ATOM 1012 C PHE A 155 13.316 17.733 22.186 1.00 14.04 C ATOM 1013 O PHE A 155 13.393 18.138 23.350 1.00 13.84 O ATOM 1014 CB PHE A 155 11.457 18.375 20.594 1.00 14.80 C ATOM 1015 CG PHE A 155 11.052 19.685 21.219 1.00 15.37 C ATOM 1016 CD1 PHE A 155 9.812 19.827 21.812 1.00 15.68 C ATOM 1017 CD2 PHE A 155 11.894 20.784 21.177 1.00 15.88 C ATOM 1018 CE1 PHE A 155 9.423 21.028 22.380 1.00 15.86 C ATOM 1019 CE2 PHE A 155 11.508 21.991 21.736 1.00 16.23 C ATOM 1020 CZ PHE A 155 10.267 22.112 22.336 1.00 16.10 C ATOM 1021 H PHE A 155 10.925 17.546 23.476 1.00 0.00 H ATOM 1022 N ILE A 156 14.362 17.572 21.379 1.00 14.31 N ATOM 1023 CA ILE A 156 15.695 18.057 21.699 1.00 14.39 C ATOM 1024 C ILE A 156 16.037 19.143 20.684 1.00 15.25 C ATOM 1025 O ILE A 156 16.040 18.898 19.471 1.00 15.46 O ATOM 1026 CB ILE A 156 16.730 16.917 21.631 1.00 14.18 C ATOM 1027 CG1 ILE A 156 16.284 15.753 22.531 1.00 14.11 C ATOM 1028 CG2 ILE A 156 18.112 17.429 22.034 1.00 13.89 C ATOM 1029 CD1 ILE A 156 17.120 14.498 22.398 1.00 14.46 C ATOM 1030 H ILE A 156 14.219 17.076 20.476 1.00 0.00 H ATOM 1031 N CYS A 157 16.293 20.349 21.186 1.00 15.89 N ATOM 1032 CA CYS A 157 16.594 21.496 20.340 1.00 16.99 C ATOM 1033 C CYS A 157 18.000 21.391 19.767 1.00 17.43 C ATOM 1034 O CYS A 157 18.901 20.873 20.425 1.00 17.23 O ATOM 1035 CB CYS A 157 16.491 22.781 21.156 1.00 17.34 C ATOM 1036 SG CYS A 157 14.909 22.996 21.964 1.00 20.66 S ATOM 1037 H CYS A 157 16.278 20.477 22.218 1.00 0.00 H ATOM 1038 N THR A 158 18.188 21.895 18.551 1.00 17.93 N ATOM 1039 CA THR A 158 19.524 21.971 17.966 1.00 18.87 C ATOM 1040 C THR A 158 20.000 23.419 17.795 1.00 19.79 C ATOM 1041 O THR A 158 21.093 23.672 17.282 1.00 20.18 O ATOM 1042 CB THR A 158 19.614 21.200 16.628 1.00 19.52 C ATOM 1043 OG1 THR A 158 18.645 21.708 15.702 1.00 20.43 O ATOM 1044 CG2 THR A 158 19.361 19.720 16.855 1.00 18.92 C ATOM 1045 HG1 THR A 158 18.711 21.208 14.850 1.00 0.00 H ATOM 1046 H THR A 158 17.371 22.240 18.008 1.00 0.00 H ATOM 1047 N ILE A 159 19.161 24.360 18.221 1.00 19.99 N ATOM 1048 CA ILE A 159 19.526 25.769 18.293 1.00 20.63 C ATOM 1049 C ILE A 159 18.793 26.359 19.477 1.00 20.13 C ATOM 1050 O ILE A 159 17.999 25.679 20.114 1.00 19.62 O ATOM 1051 CB ILE A 159 19.066 26.559 17.061 1.00 21.52 C ATOM 1052 CG1 ILE A 159 17.624 26.186 16.725 1.00 21.36 C ATOM 1053 CG2 ILE A 159 20.002 26.332 15.880 1.00 22.49 C ATOM 1054 CD1 ILE A 159 16.848 27.282 16.040 1.00 22.05 C ATOM 1055 H ILE A 159 18.204 24.078 18.515 1.00 0.00 H ATOM 1056 N LYS A 160 19.049 27.630 19.764 1.00 20.51 N ATOM 1057 CA LYS A 160 18.297 28.349 20.788 1.00 20.35 C ATOM 1058 C LYS A 160 16.911 28.651 20.236 1.00 20.54 C ATOM 1059 O LYS A 160 16.780 29.384 19.260 1.00 20.86 O ATOM 1060 CB LYS A 160 19.033 29.643 21.149 1.00 20.89 C ATOM 1061 CG LYS A 160 18.293 30.608 22.071 1.00 21.05 C ATOM 1062 CD LYS A 160 19.135 31.865 22.260 1.00 22.09 C ATOM 1063 CE LYS A 160 18.593 32.761 23.361 1.00 22.69 C ATOM 1064 NZ LYS A 160 19.652 33.105 24.354 1.00 23.13 N ATOM 1065 HZ1 LYS A 160 20.016 32.232 24.787 1.00 0.00 H ATOM 1066 HZ2 LYS A 160 20.427 33.604 23.873 1.00 0.00 H ATOM 1067 HZ3 LYS A 160 19.248 33.717 25.091 1.00 0.00 H ATOM 1068 H LYS A 160 19.803 28.125 19.247 1.00 0.00 H ATOM 1069 N THR A 161 15.877 28.063 20.835 1.00 20.09 N ATOM 1070 CA THR A 161 14.516 28.293 20.369 1.00 20.18 C ATOM 1071 C THR A 161 13.786 29.128 21.406 1.00 20.64 C ATOM 1072 O THR A 161 12.838 28.664 22.037 1.00 20.21 O ATOM 1073 CB THR A 161 13.760 26.970 20.144 1.00 19.31 C ATOM 1074 OG1 THR A 161 13.702 26.248 21.374 1.00 18.66 O ATOM 1075 CG2 THR A 161 14.470 26.108 19.098 1.00 19.25 C ATOM 1076 HG1 THR A 161 13.228 26.791 22.052 1.00 0.00 H ATOM 1077 H THR A 161 16.043 27.432 21.645 1.00 0.00 H ATOM 1078 N ASP A 162 14.234 30.368 21.579 1.00 21.33 N ATOM 1079 CA ASP A 162 13.765 31.181 22.691 1.00 21.67 C ATOM 1080 C ASP A 162 12.306 31.602 22.537 1.00 21.60 C ATOM 1081 O ASP A 162 11.675 32.037 23.499 1.00 21.84 O ATOM 1082 CB ASP A 162 14.683 32.384 22.918 1.00 22.76 C ATOM 1083 CG ASP A 162 14.712 33.341 21.739 1.00 23.98 C ATOM 1084 OD1 ASP A 162 15.198 34.467 21.930 1.00 25.04 O ATOM 1085 OD2 ASP A 162 14.257 32.987 20.631 1.00 23.91 O ATOM 1086 H ASP A 162 14.928 30.761 20.912 1.00 0.00 H ATOM 1087 N TRP A 163 11.766 31.437 21.334 1.00 21.25 N ATOM 1088 CA TRP A 163 10.369 31.772 21.085 1.00 20.99 C ATOM 1089 C TRP A 163 9.413 30.730 21.662 1.00 20.06 C ATOM 1090 O TRP A 163 8.194 30.918 21.634 1.00 20.29 O ATOM 1091 CB TRP A 163 10.100 31.984 19.588 1.00 21.43 C ATOM 1092 CG TRP A 163 10.240 30.752 18.727 1.00 21.29 C ATOM 1093 CD1 TRP A 163 9.251 29.872 18.382 1.00 21.09 C ATOM 1094 CD2 TRP A 163 11.432 30.286 18.080 1.00 21.45 C ATOM 1095 NE1 TRP A 163 9.759 28.884 17.570 1.00 21.04 N ATOM 1096 CE2 TRP A 163 11.094 29.115 17.372 1.00 21.29 C ATOM 1097 CE3 TRP A 163 12.752 30.748 18.032 1.00 21.90 C ATOM 1098 CZ2 TRP A 163 12.029 28.399 16.628 1.00 21.54 C ATOM 1099 CZ3 TRP A 163 13.678 30.035 17.292 1.00 22.15 C ATOM 1100 CH2 TRP A 163 13.312 28.875 16.599 1.00 21.90 C ATOM 1101 HE1 TRP A 163 9.217 28.091 17.172 1.00 0.00 H ATOM 1102 H TRP A 163 12.349 31.063 20.558 1.00 0.00 H ATOM 1103 N LEU A 164 9.959 29.635 22.185 1.00 18.73 N ATOM 1104 CA LEU A 164 9.124 28.618 22.818 1.00 17.77 C ATOM 1105 C LEU A 164 9.092 28.776 24.347 1.00 17.62 C ATOM 1106 O LEU A 164 8.395 28.034 25.041 1.00 17.42 O ATOM 1107 CB LEU A 164 9.589 27.213 22.418 1.00 17.02 C ATOM 1108 CG LEU A 164 9.599 26.891 20.918 1.00 16.96 C ATOM 1109 CD1 LEU A 164 10.165 25.487 20.684 1.00 16.68 C ATOM 1110 CD2 LEU A 164 8.201 27.008 20.316 1.00 16.87 C ATOM 1111 H LEU A 164 10.990 29.502 22.143 1.00 0.00 H ATOM 1112 N ASP A 165 9.854 29.738 24.863 1.00 17.79 N ATOM 1113 CA ASP A 165 9.858 30.024 26.290 1.00 18.42 C ATOM 1114 C ASP A 165 8.445 30.404 26.707 1.00 19.21 C ATOM 1115 O ASP A 165 7.804 31.230 26.075 1.00 19.19 O ATOM 1116 CB ASP A 165 10.832 31.163 26.626 1.00 19.05 C ATOM 1117 CG ASP A 165 12.295 30.729 26.583 1.00 19.01 C ATOM 1118 OD1 ASP A 165 12.570 29.513 26.538 1.00 17.61 O ATOM 1119 OD2 ASP A 165 13.176 31.620 26.602 1.00 20.18 O ATOM 1120 H ASP A 165 10.461 30.299 24.231 1.00 0.00 H ATOM 1121 N GLY A 166 7.944 29.772 27.757 1.00 13.71 N ATOM 1122 CA GLY A 166 6.616 30.077 28.254 1.00 14.77 C ATOM 1123 C GLY A 166 5.512 29.297 27.561 1.00 16.11 C ATOM 1124 O GLY A 166 4.334 29.474 27.871 1.00 16.80 O ATOM 1125 H GLY A 166 8.513 29.044 28.234 1.00 0.00 H ATOM 1126 N LYS A 167 5.878 28.433 26.620 1.00 16.42 N ATOM 1127 CA LYS A 167 4.883 27.637 25.910 1.00 17.15 C ATOM 1128 C LYS A 167 5.152 26.146 26.022 1.00 16.30 C ATOM 1129 O LYS A 167 4.224 25.334 25.970 1.00 16.17 O ATOM 1130 CB LYS A 167 4.839 28.017 24.435 1.00 18.69 C ATOM 1131 CG LYS A 167 4.185 29.354 24.181 1.00 20.32 C ATOM 1132 CD LYS A 167 4.283 29.742 22.724 1.00 21.71 C ATOM 1133 CE LYS A 167 3.598 31.071 22.474 1.00 22.59 C ATOM 1134 NZ LYS A 167 3.823 31.510 21.078 1.00 23.36 N ATOM 1135 HZ1 LYS A 167 4.844 31.616 20.910 1.00 0.00 H ATOM 1136 HZ2 LYS A 167 3.435 30.799 20.426 1.00 0.00 H ATOM 1137 HZ3 LYS A 167 3.348 32.422 20.922 1.00 0.00 H ATOM 1138 H LYS A 167 6.886 28.323 26.387 1.00 0.00 H ATOM 1139 N HIS A 168 6.427 25.795 26.147 1.00 15.12 N ATOM 1140 CA HIS A 168 6.821 24.400 26.286 1.00 14.30 C ATOM 1141 C HIS A 168 7.643 24.251 27.557 1.00 13.02 C ATOM 1142 O HIS A 168 8.466 25.108 27.870 1.00 12.94 O ATOM 1143 CB HIS A 168 7.601 23.937 25.046 1.00 14.22 C ATOM 1144 CG HIS A 168 6.789 23.941 23.795 1.00 14.46 C ATOM 1145 ND1 HIS A 168 6.117 22.824 23.330 1.00 14.53 N ATOM 1146 CD2 HIS A 168 6.509 24.935 22.908 1.00 14.77 C ATOM 1147 CE1 HIS A 168 5.479 23.131 22.215 1.00 14.79 C ATOM 1148 NE2 HIS A 168 5.694 24.394 21.942 1.00 14.91 N ATOM 1149 H HIS A 168 7.160 26.533 26.146 1.00 0.00 H ATOM 1150 N VAL A 169 7.389 23.189 28.313 1.00 11.70 N ATOM 1151 CA VAL A 169 8.099 22.970 29.562 1.00 10.93 C ATOM 1152 C VAL A 169 9.459 22.328 29.310 1.00 10.30 C ATOM 1153 O VAL A 169 9.540 21.200 28.826 1.00 10.07 O ATOM 1154 CB VAL A 169 7.281 22.078 30.525 1.00 10.74 C ATOM 1155 CG1 VAL A 169 8.065 21.816 31.804 1.00 10.54 C ATOM 1156 CG2 VAL A 169 5.941 22.743 30.838 1.00 10.72 C ATOM 1157 H VAL A 169 6.670 22.503 28.006 1.00 0.00 H ATOM 1158 N VAL A 170 10.518 23.062 29.630 1.00 10.14 N ATOM 1159 CA VAL A 170 11.883 22.553 29.536 1.00 10.85 C ATOM 1160 C VAL A 170 12.175 21.734 30.792 1.00 11.11 C ATOM 1161 O VAL A 170 11.870 22.182 31.900 1.00 11.01 O ATOM 1162 CB VAL A 170 12.880 23.722 29.451 1.00 11.56 C ATOM 1163 CG1 VAL A 170 14.328 23.220 29.470 1.00 11.56 C ATOM 1164 CG2 VAL A 170 12.606 24.551 28.197 1.00 11.89 C ATOM 1165 H VAL A 170 10.369 24.037 29.960 1.00 0.00 H ATOM 1166 N PHE A 171 12.752 20.541 30.642 1.00 11.13 N ATOM 1167 CA PHE A 171 12.955 19.683 31.811 1.00 11.06 C ATOM 1168 C PHE A 171 14.287 18.942 31.867 1.00 11.33 C ATOM 1169 O PHE A 171 14.485 18.065 32.721 1.00 10.97 O ATOM 1170 CB PHE A 171 11.796 18.684 31.957 1.00 11.38 C ATOM 1171 CG PHE A 171 11.695 17.692 30.831 1.00 11.69 C ATOM 1172 CD1 PHE A 171 11.117 18.050 29.622 1.00 12.36 C ATOM 1173 CD2 PHE A 171 12.150 16.394 30.996 1.00 11.79 C ATOM 1174 CE1 PHE A 171 11.017 17.142 28.592 1.00 12.70 C ATOM 1175 CE2 PHE A 171 12.050 15.478 29.984 1.00 12.14 C ATOM 1176 CZ PHE A 171 11.481 15.848 28.771 1.00 12.48 C ATOM 1177 H PHE A 171 13.056 20.222 29.700 1.00 0.00 H ATOM 1178 N GLY A 172 15.204 19.283 30.968 1.00 11.43 N ATOM 1179 CA GLY A 172 16.486 18.612 30.965 1.00 11.33 C ATOM 1180 C GLY A 172 17.411 19.072 29.865 1.00 11.67 C ATOM 1181 O GLY A 172 17.093 20.011 29.118 1.00 11.31 O ATOM 1182 H GLY A 172 15.002 20.028 30.271 1.00 0.00 H ATOM 1183 N HIS A 173 18.556 18.402 29.754 1.00 12.14 N ATOM 1184 CA HIS A 173 19.490 18.700 28.679 1.00 13.15 C ATOM 1185 C HIS A 173 20.416 17.527 28.387 1.00 13.55 C ATOM 1186 O HIS A 173 20.565 16.608 29.212 1.00 13.37 O ATOM 1187 CB HIS A 173 20.294 19.971 28.988 1.00 13.88 C ATOM 1188 CG HIS A 173 21.349 19.787 30.031 1.00 14.88 C ATOM 1189 ND1 HIS A 173 21.101 19.915 31.380 1.00 15.36 N ATOM 1190 CD2 HIS A 173 22.674 19.496 29.916 1.00 15.22 C ATOM 1191 CE1 HIS A 173 22.223 19.702 32.053 1.00 15.47 C ATOM 1192 NE2 HIS A 173 23.182 19.453 31.191 1.00 15.39 N ATOM 1193 H HIS A 173 18.785 17.658 30.443 1.00 0.00 H ATOM 1194 N VAL A 174 21.020 17.563 27.205 1.00 13.95 N ATOM 1195 CA VAL A 174 21.960 16.539 26.771 1.00 14.44 C ATOM 1196 C VAL A 174 23.297 16.637 27.514 1.00 15.22 C ATOM 1197 O VAL A 174 23.958 17.682 27.502 1.00 15.39 O ATOM 1198 CB VAL A 174 22.215 16.639 25.259 1.00 14.36 C ATOM 1199 CG1 VAL A 174 23.212 15.594 24.820 1.00 14.23 C ATOM 1200 CG2 VAL A 174 20.897 16.484 24.488 1.00 14.56 C ATOM 1201 H VAL A 174 20.813 18.355 26.563 1.00 0.00 H ATOM 1202 N ILE A 175 23.684 15.539 28.155 1.00 15.58 N ATOM 1203 CA ILE A 175 24.944 15.450 28.888 1.00 16.22 C ATOM 1204 C ILE A 175 26.043 14.999 27.944 1.00 16.63 C ATOM 1205 O ILE A 175 27.167 15.503 27.984 1.00 16.64 O ATOM 1206 CB ILE A 175 24.842 14.415 30.027 1.00 16.34 C ATOM 1207 CG1 ILE A 175 23.918 14.932 31.129 1.00 16.63 C ATOM 1208 CG2 ILE A 175 26.224 14.082 30.585 1.00 16.57 C ATOM 1209 CD1 ILE A 175 24.416 16.207 31.783 1.00 16.93 C ATOM 1210 H ILE A 175 23.062 14.706 28.134 1.00 0.00 H ATOM 1211 N GLU A 176 25.694 14.042 27.092 1.00 17.10 N ATOM 1212 CA GLU A 176 26.633 13.431 26.175 1.00 18.34 C ATOM 1213 C GLU A 176 25.860 12.919 24.967 1.00 18.44 C ATOM 1214 O GLU A 176 24.742 12.429 25.105 1.00 18.78 O ATOM 1215 CB GLU A 176 27.360 12.288 26.891 1.00 19.54 C ATOM 1216 CG GLU A 176 27.821 11.154 26.008 1.00 20.90 C ATOM 1217 CD GLU A 176 28.293 9.948 26.801 1.00 21.91 C ATOM 1218 OE1 GLU A 176 28.838 10.125 27.912 1.00 21.92 O ATOM 1219 OE2 GLU A 176 28.119 8.816 26.305 1.00 22.76 O ATOM 1220 H GLU A 176 24.706 13.718 27.083 1.00 0.00 H ATOM 1221 N GLY A 177 26.440 13.053 23.780 1.00 18.14 N ATOM 1222 CA GLY A 177 25.823 12.509 22.586 1.00 17.87 C ATOM 1223 C GLY A 177 25.223 13.555 21.665 1.00 17.93 C ATOM 1224 O GLY A 177 24.336 13.241 20.865 1.00 17.69 O ATOM 1225 H GLY A 177 27.348 13.554 23.706 1.00 0.00 H ATOM 1226 N MET A 178 25.685 14.799 21.764 1.00 18.11 N ATOM 1227 CA MET A 178 25.225 15.808 20.813 1.00 18.60 C ATOM 1228 C MET A 178 25.623 15.423 19.385 1.00 19.11 C ATOM 1229 O MET A 178 24.954 15.820 18.437 1.00 19.42 O ATOM 1230 CB MET A 178 25.737 17.211 21.146 1.00 18.78 C ATOM 1231 CG MET A 178 24.842 18.020 22.073 1.00 18.79 C ATOM 1232 SD MET A 178 23.142 18.241 21.489 1.00 25.66 S ATOM 1233 CE MET A 178 23.322 19.324 20.097 1.00 22.72 C ATOM 1234 H MET A 178 26.365 15.050 22.509 1.00 0.00 H ATOM 1235 N ASP A 179 26.695 14.648 19.226 1.00 19.34 N ATOM 1236 CA ASP A 179 27.064 14.163 17.893 1.00 19.92 C ATOM 1237 C ASP A 179 25.984 13.231 17.352 1.00 20.45 C ATOM 1238 O ASP A 179 25.669 13.254 16.161 1.00 21.12 O ATOM 1239 CB ASP A 179 28.431 13.462 17.894 1.00 20.11 C ATOM 1240 CG ASP A 179 28.496 12.297 18.865 1.00 20.09 C ATOM 1241 OD1 ASP A 179 28.121 12.478 20.040 1.00 19.98 O ATOM 1242 OD2 ASP A 179 28.919 11.198 18.450 1.00 20.26 O ATOM 1243 H ASP A 179 27.272 14.386 20.051 1.00 0.00 H ATOM 1244 N VAL A 180 25.411 12.417 18.233 1.00 20.30 N ATOM 1245 CA VAL A 180 24.317 11.534 17.844 1.00 19.89 C ATOM 1246 C VAL A 180 23.092 12.369 17.462 1.00 20.31 C ATOM 1247 O VAL A 180 22.417 12.078 16.469 1.00 20.46 O ATOM 1248 CB VAL A 180 23.957 10.538 18.967 1.00 19.21 C ATOM 1249 CG1 VAL A 180 22.731 9.725 18.593 1.00 18.76 C ATOM 1250 CG2 VAL A 180 25.124 9.610 19.253 1.00 19.00 C ATOM 1251 H VAL A 180 25.749 12.410 19.217 1.00 0.00 H ATOM 1252 N VAL A 181 22.821 13.410 18.244 1.00 20.31 N ATOM 1253 CA VAL A 181 21.723 14.323 17.947 1.00 20.65 C ATOM 1254 C VAL A 181 21.919 15.011 16.588 1.00 21.29 C ATOM 1255 O VAL A 181 20.969 15.133 15.811 1.00 21.35 O ATOM 1256 CB VAL A 181 21.543 15.391 19.059 1.00 19.45 C ATOM 1257 CG1 VAL A 181 20.525 16.447 18.643 1.00 19.38 C ATOM 1258 CG2 VAL A 181 21.129 14.740 20.375 1.00 19.47 C ATOM 1259 H VAL A 181 23.406 13.577 19.087 1.00 0.00 H ATOM 1260 N LYS A 182 23.147 15.443 16.297 1.00 21.99 N ATOM 1261 CA LYS A 182 23.435 16.116 15.028 1.00 23.16 C ATOM 1262 C LYS A 182 23.277 15.155 13.849 1.00 23.95 C ATOM 1263 O LYS A 182 22.961 15.573 12.743 1.00 23.96 O ATOM 1264 CB LYS A 182 24.834 16.749 15.024 1.00 23.43 C ATOM 1265 CG LYS A 182 25.097 17.772 16.135 1.00 23.93 C ATOM 1266 CD LYS A 182 24.330 19.069 15.942 1.00 24.51 C ATOM 1267 CE LYS A 182 24.938 19.924 14.842 1.00 24.59 C ATOM 1268 NZ LYS A 182 24.031 21.050 14.465 1.00 24.64 N ATOM 1269 HZ1 LYS A 182 23.127 20.666 14.124 1.00 0.00 H ATOM 1270 HZ2 LYS A 182 23.862 21.651 15.297 1.00 0.00 H ATOM 1271 HZ3 LYS A 182 24.475 21.614 13.712 1.00 0.00 H ATOM 1272 H LYS A 182 23.914 15.299 16.984 1.00 0.00 H ATOM 1273 N LYS A 183 23.487 13.863 14.087 1.00 24.93 N ATOM 1274 CA LYS A 183 23.251 12.874 13.042 1.00 25.93 C ATOM 1275 C LYS A 183 21.764 12.733 12.757 1.00 26.29 C ATOM 1276 O LYS A 183 21.344 12.741 11.596 1.00 26.76 O ATOM 1277 CB LYS A 183 23.845 11.513 13.406 1.00 26.54 C ATOM 1278 CG LYS A 183 25.361 11.463 13.380 1.00 27.22 C ATOM 1279 CD LYS A 183 25.852 10.018 13.386 1.00 27.79 C ATOM 1280 CE LYS A 183 27.137 9.865 14.182 1.00 28.17 C ATOM 1281 NZ LYS A 183 27.098 8.637 15.028 1.00 28.29 N ATOM 1282 HZ1 LYS A 183 26.299 8.700 15.691 1.00 0.00 H ATOM 1283 HZ2 LYS A 183 26.980 7.802 14.419 1.00 0.00 H ATOM 1284 HZ3 LYS A 183 27.987 8.556 15.561 1.00 0.00 H ATOM 1285 H LYS A 183 23.821 13.557 15.023 1.00 0.00 H ATOM 1286 N ILE A 184 20.970 12.594 13.814 1.00 25.71 N ATOM 1287 CA ILE A 184 19.519 12.538 13.665 1.00 25.09 C ATOM 1288 C ILE A 184 19.025 13.759 12.884 1.00 24.81 C ATOM 1289 O ILE A 184 18.291 13.630 11.900 1.00 24.78 O ATOM 1290 CB ILE A 184 18.820 12.457 15.038 1.00 24.83 C ATOM 1291 CG1 ILE A 184 19.130 11.113 15.707 1.00 24.77 C ATOM 1292 CG2 ILE A 184 17.314 12.654 14.889 1.00 24.50 C ATOM 1293 CD1 ILE A 184 18.891 11.084 17.202 1.00 24.72 C ATOM 1294 H ILE A 184 21.390 12.524 14.763 1.00 0.00 H ATOM 1295 N GLU A 185 19.483 14.934 13.301 1.00 24.77 N ATOM 1296 CA GLU A 185 19.138 16.192 12.648 1.00 25.14 C ATOM 1297 C GLU A 185 19.388 16.151 11.144 1.00 25.97 C ATOM 1298 O GLU A 185 18.585 16.656 10.356 1.00 25.79 O ATOM 1299 CB GLU A 185 19.932 17.342 13.264 1.00 25.13 C ATOM 1300 CG GLU A 185 19.699 18.686 12.582 1.00 25.43 C ATOM 1301 CD GLU A 185 20.518 19.810 13.195 1.00 25.90 C ATOM 1302 OE1 GLU A 185 21.676 19.563 13.603 1.00 26.36 O ATOM 1303 OE2 GLU A 185 19.996 20.945 13.273 1.00 25.96 O ATOM 1304 H GLU A 185 20.114 14.958 14.127 1.00 0.00 H ATOM 1305 N SER A 186 20.490 15.525 10.748 1.00 26.75 N ATOM 1306 CA SER A 186 20.884 15.501 9.346 1.00 27.51 C ATOM 1307 C SER A 186 19.935 14.674 8.483 1.00 27.98 C ATOM 1308 O SER A 186 19.965 14.765 7.257 1.00 28.57 O ATOM 1309 CB SER A 186 22.306 14.962 9.204 1.00 27.76 C ATOM 1310 OG SER A 186 22.297 13.546 9.174 1.00 28.06 O ATOM 1311 HG SER A 186 21.904 13.202 10.015 1.00 0.00 H ATOM 1312 H SER A 186 21.083 15.042 11.453 1.00 0.00 H ATOM 1313 N PHE A 187 19.105 13.856 9.119 1.00 27.86 N ATOM 1314 CA PHE A 187 18.174 13.008 8.382 1.00 27.62 C ATOM 1315 C PHE A 187 16.791 13.634 8.303 1.00 28.00 C ATOM 1316 O PHE A 187 15.833 12.987 7.884 1.00 28.19 O ATOM 1317 CB PHE A 187 18.076 11.630 9.027 1.00 27.20 C ATOM 1318 CG PHE A 187 19.391 10.920 9.140 1.00 27.12 C ATOM 1319 CD1 PHE A 187 20.388 11.117 8.197 1.00 27.21 C ATOM 1320 CD2 PHE A 187 19.630 10.055 10.191 1.00 27.05 C ATOM 1321 CE1 PHE A 187 21.600 10.464 8.305 1.00 27.29 C ATOM 1322 CE2 PHE A 187 20.835 9.395 10.301 1.00 27.15 C ATOM 1323 CZ PHE A 187 21.822 9.599 9.356 1.00 27.21 C ATOM 1324 H PHE A 187 19.119 13.819 10.158 1.00 0.00 H ATOM 1325 N GLY A 188 16.695 14.895 8.704 1.00 28.37 N ATOM 1326 CA GLY A 188 15.432 15.601 8.676 1.00 28.79 C ATOM 1327 C GLY A 188 15.272 16.436 7.424 1.00 29.34 C ATOM 1328 O GLY A 188 16.135 16.434 6.547 1.00 29.47 O ATOM 1329 H GLY A 188 17.545 15.387 9.046 1.00 0.00 H ATOM 1330 N SER A 189 14.160 17.156 7.350 1.00 29.63 N ATOM 1331 CA SER A 189 13.845 17.981 6.195 1.00 30.01 C ATOM 1332 C SER A 189 12.990 19.138 6.677 1.00 30.46 C ATOM 1333 O SER A 189 12.601 19.177 7.847 1.00 30.57 O ATOM 1334 CB SER A 189 13.069 17.163 5.169 1.00 30.03 C ATOM 1335 OG SER A 189 11.849 16.714 5.730 1.00 30.07 O ATOM 1336 HG SER A 189 12.039 16.150 6.521 1.00 0.00 H ATOM 1337 H SER A 189 13.491 17.129 8.146 1.00 0.00 H ATOM 1338 N LYS A 190 12.683 20.072 5.780 1.00 30.65 N ATOM 1339 CA LYS A 190 11.903 21.248 6.154 1.00 30.73 C ATOM 1340 C LYS A 190 10.502 20.875 6.644 1.00 30.64 C ATOM 1341 O LYS A 190 9.931 21.556 7.496 1.00 30.58 O ATOM 1342 CB LYS A 190 11.827 22.246 4.992 1.00 30.86 C ATOM 1343 H LYS A 190 13.004 19.962 4.797 1.00 0.00 H ATOM 1344 N SER A 191 9.960 19.780 6.119 1.00 30.75 N ATOM 1345 CA SER A 191 8.604 19.361 6.464 1.00 30.74 C ATOM 1346 C SER A 191 8.554 18.522 7.736 1.00 30.45 C ATOM 1347 O SER A 191 7.479 18.302 8.294 1.00 30.49 O ATOM 1348 CB SER A 191 7.975 18.568 5.320 1.00 30.98 C ATOM 1349 OG SER A 191 8.615 17.313 5.171 1.00 31.27 O ATOM 1350 HG SER A 191 9.575 17.455 4.974 1.00 0.00 H ATOM 1351 H SER A 191 10.514 19.210 5.448 1.00 0.00 H ATOM 1352 N GLY A 192 9.715 18.046 8.178 1.00 30.09 N ATOM 1353 CA GLY A 192 9.796 17.205 9.358 1.00 29.85 C ATOM 1354 C GLY A 192 9.976 15.733 9.038 1.00 29.86 C ATOM 1355 O GLY A 192 10.424 14.954 9.883 1.00 29.98 O ATOM 1356 H GLY A 192 10.588 18.283 7.664 1.00 0.00 H ATOM 1357 N ARG A 193 9.619 15.346 7.817 1.00 29.69 N ATOM 1358 CA ARG A 193 9.741 13.954 7.398 1.00 29.45 C ATOM 1359 C ARG A 193 11.200 13.512 7.418 1.00 29.19 C ATOM 1360 O ARG A 193 12.079 14.235 6.960 1.00 29.00 O ATOM 1361 CB ARG A 193 9.135 13.756 6.005 1.00 29.58 C ATOM 1362 CG ARG A 193 7.714 13.225 6.008 1.00 29.74 C ATOM 1363 CD ARG A 193 6.702 14.181 6.663 1.00 29.97 C ATOM 1364 NE ARG A 193 6.270 15.299 5.816 1.00 30.12 N ATOM 1365 CZ ARG A 193 5.711 15.177 4.611 1.00 30.13 C ATOM 1366 NH1 ARG A 193 5.341 16.258 3.941 1.00 30.01 N ATOM 1367 NH2 ARG A 193 5.516 13.985 4.063 1.00 30.16 N ATOM 1368 HE ARG A 193 6.411 16.261 6.184 1.00 0.00 H ATOM 1369 HH12 ARG A 193 4.905 16.164 3.001 1.00 0.00 H ATOM 1370 HH11 ARG A 193 5.486 17.201 4.354 1.00 0.00 H ATOM 1371 HH22 ARG A 193 5.079 13.910 3.122 1.00 0.00 H ATOM 1372 HH21 ARG A 193 5.801 13.125 4.574 1.00 0.00 H ATOM 1373 H ARG A 193 9.246 16.049 7.148 1.00 0.00 H ATOM 1374 N THR A 194 11.461 12.338 7.978 1.00 29.41 N ATOM 1375 CA THR A 194 12.823 11.824 8.033 1.00 29.78 C ATOM 1376 C THR A 194 13.134 10.983 6.810 1.00 30.23 C ATOM 1377 O THR A 194 12.253 10.340 6.247 1.00 30.00 O ATOM 1378 CB THR A 194 13.079 10.972 9.289 1.00 29.54 C ATOM 1379 OG1 THR A 194 12.081 9.952 9.389 1.00 29.59 O ATOM 1380 CG2 THR A 194 13.040 11.832 10.535 1.00 29.39 C ATOM 1381 HG1 THR A 194 12.249 9.406 10.198 1.00 0.00 H ATOM 1382 H THR A 194 10.684 11.778 8.383 1.00 0.00 H ATOM 1383 N SER A 195 14.399 10.987 6.412 1.00 30.79 N ATOM 1384 CA SER A 195 14.818 10.251 5.230 1.00 31.31 C ATOM 1385 C SER A 195 15.340 8.871 5.610 1.00 31.50 C ATOM 1386 O SER A 195 15.774 8.107 4.750 1.00 31.67 O ATOM 1387 CB SER A 195 15.876 11.040 4.453 1.00 31.65 C ATOM 1388 OG SER A 195 17.035 11.248 5.242 1.00 31.87 O ATOM 1389 HG SER A 195 16.792 11.757 6.055 1.00 0.00 H ATOM 1390 H SER A 195 15.104 11.526 6.955 1.00 0.00 H ATOM 1391 N LYS A 196 15.304 8.569 6.906 1.00 31.39 N ATOM 1392 CA LYS A 196 15.642 7.247 7.433 1.00 31.12 C ATOM 1393 C LYS A 196 14.698 6.969 8.604 1.00 30.66 C ATOM 1394 O LYS A 196 14.165 7.907 9.199 1.00 31.01 O ATOM 1395 CB LYS A 196 17.097 7.217 7.917 1.00 31.38 C ATOM 1396 CG LYS A 196 18.118 7.709 6.889 1.00 31.56 C ATOM 1397 CD LYS A 196 19.535 7.689 7.427 1.00 31.64 C ATOM 1398 CE LYS A 196 20.550 7.792 6.301 1.00 31.70 C ATOM 1399 NZ LYS A 196 21.364 6.550 6.189 1.00 31.74 N ATOM 1400 HZ1 LYS A 196 21.874 6.390 7.081 1.00 0.00 H ATOM 1401 HZ2 LYS A 196 20.737 5.742 5.997 1.00 0.00 H ATOM 1402 HZ3 LYS A 196 22.047 6.653 5.411 1.00 0.00 H ATOM 1403 H LYS A 196 15.021 9.311 7.578 1.00 0.00 H ATOM 1404 N LYS A 197 14.473 5.700 8.940 1.00 29.61 N ATOM 1405 CA LYS A 197 13.667 5.388 10.121 1.00 28.72 C ATOM 1406 C LYS A 197 14.532 5.414 11.381 1.00 27.61 C ATOM 1407 O LYS A 197 15.428 4.585 11.551 1.00 27.76 O ATOM 1408 CB LYS A 197 12.943 4.044 9.986 1.00 28.79 C ATOM 1409 CG LYS A 197 11.820 3.850 11.008 1.00 28.89 C ATOM 1410 CD LYS A 197 11.030 2.573 10.750 1.00 28.99 C ATOM 1411 CE LYS A 197 9.866 2.422 11.725 1.00 29.05 C ATOM 1412 NZ LYS A 197 9.281 1.050 11.684 1.00 29.12 N ATOM 1413 HZ1 LYS A 197 8.931 0.852 10.725 1.00 0.00 H ATOM 1414 HZ2 LYS A 197 10.012 0.355 11.938 1.00 0.00 H ATOM 1415 HZ3 LYS A 197 8.494 0.990 12.361 1.00 0.00 H ATOM 1416 H LYS A 197 14.870 4.931 8.363 1.00 0.00 H ATOM 1417 N ILE A 198 14.252 6.372 12.258 1.00 26.11 N ATOM 1418 CA ILE A 198 15.087 6.610 13.430 1.00 24.85 C ATOM 1419 C ILE A 198 14.426 6.066 14.692 1.00 23.89 C ATOM 1420 O ILE A 198 13.448 6.619 15.189 1.00 24.04 O ATOM 1421 CB ILE A 198 15.425 8.108 13.544 1.00 24.84 C ATOM 1422 CG1 ILE A 198 16.084 8.572 12.241 1.00 24.69 C ATOM 1423 CG2 ILE A 198 16.336 8.373 14.719 1.00 24.75 C ATOM 1424 CD1 ILE A 198 16.096 10.073 12.052 1.00 24.73 C ATOM 1425 H ILE A 198 13.414 6.969 12.105 1.00 0.00 H ATOM 1426 N VAL A 199 14.969 4.963 15.194 1.00 22.67 N ATOM 1427 CA VAL A 199 14.336 4.205 16.262 1.00 22.06 C ATOM 1428 C VAL A 199 15.102 4.291 17.584 1.00 21.49 C ATOM 1429 O VAL A 199 16.324 4.154 17.614 1.00 21.52 O ATOM 1430 CB VAL A 199 14.212 2.717 15.852 1.00 22.19 C ATOM 1431 CG1 VAL A 199 13.606 1.888 16.970 1.00 22.33 C ATOM 1432 CG2 VAL A 199 13.390 2.582 14.569 1.00 22.40 C ATOM 1433 H VAL A 199 15.877 4.630 14.811 1.00 0.00 H ATOM 1434 N ILE A 200 14.385 4.531 18.676 1.00 20.78 N ATOM 1435 CA ILE A 200 14.968 4.377 20.001 1.00 19.97 C ATOM 1436 C ILE A 200 14.975 2.879 20.321 1.00 20.29 C ATOM 1437 O ILE A 200 13.955 2.312 20.698 1.00 20.75 O ATOM 1438 CB ILE A 200 14.167 5.170 21.063 1.00 19.25 C ATOM 1439 CG1 ILE A 200 14.198 6.669 20.740 1.00 18.72 C ATOM 1440 CG2 ILE A 200 14.722 4.915 22.460 1.00 19.12 C ATOM 1441 CD1 ILE A 200 13.152 7.482 21.487 1.00 18.74 C ATOM 1442 H ILE A 200 13.394 4.833 18.583 1.00 0.00 H ATOM 1443 N THR A 201 16.118 2.224 20.144 1.00 19.92 N ATOM 1444 CA THR A 201 16.157 0.771 20.275 1.00 19.76 C ATOM 1445 C THR A 201 16.263 0.329 21.728 1.00 19.75 C ATOM 1446 O THR A 201 15.846 -0.777 22.087 1.00 19.80 O ATOM 1447 CB THR A 201 17.313 0.148 19.475 1.00 19.80 C ATOM 1448 OG1 THR A 201 18.548 0.761 19.863 1.00 19.80 O ATOM 1449 CG2 THR A 201 17.086 0.345 17.999 1.00 19.79 C ATOM 1450 HG1 THR A 201 18.505 1.733 19.679 1.00 0.00 H ATOM 1451 H THR A 201 16.986 2.748 19.912 1.00 0.00 H ATOM 1452 N ASP A 202 16.827 1.185 22.570 1.00 19.03 N ATOM 1453 CA ASP A 202 16.849 0.888 23.987 1.00 18.68 C ATOM 1454 C ASP A 202 16.904 2.197 24.744 1.00 18.06 C ATOM 1455 O ASP A 202 17.288 3.230 24.178 1.00 18.05 O ATOM 1456 CB ASP A 202 18.046 0.000 24.329 1.00 19.12 C ATOM 1457 CG ASP A 202 17.996 -0.527 25.748 1.00 19.50 C ATOM 1458 OD1 ASP A 202 19.059 -0.576 26.398 1.00 20.01 O ATOM 1459 OD2 ASP A 202 16.897 -0.887 26.219 1.00 19.34 O ATOM 1460 H ASP A 202 17.251 2.065 22.214 1.00 0.00 H ATOM 1461 N CYS A 203 16.503 2.147 26.013 1.00 17.44 N ATOM 1462 CA CYS A 203 16.544 3.306 26.891 1.00 16.65 C ATOM 1463 C CYS A 203 16.415 2.858 28.332 1.00 16.32 C ATOM 1464 O CYS A 203 15.947 1.758 28.607 1.00 16.85 O ATOM 1465 CB CYS A 203 15.443 4.313 26.530 1.00 16.32 C ATOM 1466 SG CYS A 203 13.762 3.623 26.365 1.00 17.00 S ATOM 1467 H CYS A 203 16.147 1.246 26.390 1.00 0.00 H ATOM 1468 N GLY A 204 16.841 3.710 29.253 1.00 15.77 N ATOM 1469 CA GLY A 204 16.770 3.384 30.659 1.00 15.32 C ATOM 1470 C GLY A 204 17.408 4.452 31.503 1.00 15.01 C ATOM 1471 O GLY A 204 17.693 5.538 31.017 1.00 14.69 O ATOM 1472 H GLY A 204 17.233 4.628 28.959 1.00 0.00 H ATOM 1473 N GLN A 205 17.632 4.126 32.770 1.00 15.14 N ATOM 1474 CA GLN A 205 18.196 5.058 33.725 1.00 15.03 C ATOM 1475 C GLN A 205 19.611 4.626 34.098 1.00 15.12 C ATOM 1476 O GLN A 205 19.855 3.450 34.373 1.00 14.98 O ATOM 1477 CB GLN A 205 17.309 5.107 34.966 1.00 15.02 C ATOM 1478 CG GLN A 205 17.749 6.100 36.024 1.00 14.98 C ATOM 1479 CD GLN A 205 16.720 6.250 37.130 1.00 14.94 C ATOM 1480 OE1 GLN A 205 15.660 5.610 37.104 1.00 15.19 O ATOM 1481 NE2 GLN A 205 17.017 7.106 38.104 1.00 14.37 N ATOM 1482 HE22 GLN A 205 17.920 7.622 38.085 1.00 0.00 H ATOM 1483 HE21 GLN A 205 16.347 7.259 38.884 1.00 0.00 H ATOM 1484 H GLN A 205 17.394 3.165 33.089 1.00 0.00 H ATOM 1485 N LEU A 206 20.537 5.581 34.103 1.00 15.03 N ATOM 1486 CA LEU A 206 21.923 5.319 34.480 1.00 14.78 C ATOM 1487 C LEU A 206 22.147 5.550 35.970 1.00 14.74 C ATOM 1488 O LEU A 206 22.926 4.839 36.602 1.00 14.65 O ATOM 1489 CB LEU A 206 22.876 6.204 33.675 1.00 14.53 C ATOM 1490 CG LEU A 206 22.918 5.907 32.174 1.00 14.87 C ATOM 1491 CD1 LEU A 206 23.824 6.906 31.461 1.00 15.09 C ATOM 1492 CD2 LEU A 206 23.361 4.459 31.911 1.00 14.66 C ATOM 1493 H LEU A 206 20.265 6.547 33.829 1.00 0.00 H ATOM 1494 N SER A 207 21.481 6.559 36.520 1.00 14.81 N ATOM 1495 CA SER A 207 21.602 6.867 37.945 1.00 15.24 C ATOM 1496 C SER A 207 20.441 7.752 38.411 1.00 15.01 C ATOM 1497 O SER A 207 20.233 7.994 39.605 1.00 15.08 O ATOM 1498 CB SER A 207 22.949 7.542 38.248 1.00 15.60 C ATOM 1499 OG SER A 207 23.035 8.834 37.659 1.00 15.86 O ATOM 1500 OXT SER A 207 19.671 8.242 37.583 1.00 14.73 O ATOM 1501 HG SER A 207 23.913 9.236 37.875 1.00 0.00 H ATOM 1502 H SER A 207 20.860 7.143 35.924 1.00 0.00 H TER 1503 SER A 207 HETATM 1504 O HOH 1 12.105 14.022 42.510 1.00 29.14 O HETATM 1505 O HOH 2 14.265 10.821 40.889 1.00 35.60 O HETATM 1506 O HOH 3 22.687 2.872 18.957 1.00 28.84 O HETATM 1507 O HOH 4 26.487 5.310 28.885 1.00 31.17 O HETATM 1508 O HOH 5 27.477 6.773 21.493 1.00 33.42 O HETATM 1509 O HOH 6 10.120 24.202 40.805 1.00 27.80 O HETATM 1510 O HOH 7 11.161 13.573 39.977 1.00 27.85 O HETATM 1511 O HOH 8 7.851 14.398 30.823 1.00 14.33 O HETATM 1512 O HOH 9 4.836 19.845 32.644 1.00 13.22 O HETATM 1513 O HOH 10 12.142 11.353 38.891 1.00 22.24 O HETATM 1514 O HOH 11 18.061 30.900 31.443 1.00 36.19 O HETATM 1515 O HOH 12 10.768 2.102 27.589 1.00 20.28 O HETATM 1516 O HOH 13 13.006 0.274 28.744 1.00 25.84 O HETATM 1517 O HOH 14 6.762 3.063 32.314 1.00 21.11 O HETATM 1518 O HOH 15 5.301 0.829 25.140 1.00 28.48 O HETATM 1519 O HOH 16 8.705 0.023 27.570 1.00 35.84 O HETATM 1520 O HOH 17 7.899 -0.119 24.864 1.00 37.77 O HETATM 1521 O HOH 18 19.824 24.360 33.904 1.00 38.35 O HETATM 1522 O HOH 19 7.017 6.204 17.335 1.00 18.96 O HETATM 1523 O HOH 20 7.369 7.127 12.772 1.00 37.83 O HETATM 1524 O HOH 21 7.218 9.251 17.872 1.00 16.80 O HETATM 1525 O HOH 22 12.065 8.198 11.749 1.00 23.65 O HETATM 1526 O HOH 23 0.504 13.030 12.154 1.00 26.75 O HETATM 1527 O HOH 24 2.120 12.832 24.000 1.00 18.11 O HETATM 1528 O HOH 25 2.621 19.198 36.093 1.00 17.72 O HETATM 1529 O HOH 26 0.142 26.697 30.886 1.00 19.37 O HETATM 1530 O HOH 27 1.121 21.796 27.383 1.00 10.93 O HETATM 1531 O HOH 28 6.452 21.006 40.689 1.00 30.18 O HETATM 1532 O HOH 29 10.960 24.531 33.641 1.00 10.18 O HETATM 1533 O HOH 30 6.096 29.366 35.491 1.00 22.24 O HETATM 1534 O HOH 31 10.070 27.224 39.687 1.00 27.70 O HETATM 1535 O HOH 32 10.343 25.538 31.105 1.00 13.89 O HETATM 1536 O HOH 33 17.489 25.234 30.185 1.00 18.02 O HETATM 1537 O HOH 34 17.179 28.492 32.023 1.00 26.57 O HETATM 1538 O HOH 35 19.362 22.081 32.237 1.00 41.53 O HETATM 1539 O HOH 36 3.840 15.788 25.276 1.00 15.46 O HETATM 1540 O HOH 37 2.164 25.480 22.403 1.00 36.08 O HETATM 1541 O HOH 38 4.706 21.833 27.484 1.00 11.94 O HETATM 1542 O HOH 39 23.389 22.245 16.976 1.00 41.60 O HETATM 1543 O HOH 40 16.884 25.721 22.975 1.00 17.45 O HETATM 1544 O HOH 41 15.812 31.359 25.812 1.00 28.80 O HETATM 1545 O HOH 42 1.502 28.448 27.601 1.00 25.46 O HETATM 1546 O HOH 43 1.690 25.782 27.250 1.00 20.87 O HETATM 1547 O HOH 44 3.995 25.819 20.181 1.00 33.07 O HETATM 1548 O HOH 45 9.862 27.527 28.791 1.00 14.18 O HETATM 1549 O HOH 46 29.995 14.244 28.529 1.00 36.11 O HETATM 1550 O HOH 47 30.362 7.913 28.732 1.00 26.17 O HETATM 1551 O HOH 48 29.793 11.538 29.540 1.00 19.29 O HETATM 1552 O HOH 49 27.316 9.093 23.558 1.00 36.25 O HETATM 1553 O HOH 50 27.887 14.585 14.369 1.00 42.03 O HETATM 1554 O HOH 51 20.751 4.320 5.553 1.00 31.01 O HETATM 1555 O HOH 52 15.451 2.809 37.921 1.00 31.81 O HETATM 1556 O HOH 53 16.854 1.356 33.464 1.00 19.95 O HETATM 1557 O HOH 54 18.327 9.632 40.645 1.00 26.80 O HETATM 1558 O HOH 55 21.850 28.415 18.908 1.00 33.55 O HETATM 1559 O HOH 56 17.585 22.730 30.364 1.00 26.85 O HETATM 1560 O HOH 57 -1.624 6.728 31.080 1.00 33.24 O HETATM 1561 O HOH 58 16.200 1.989 12.355 1.00 35.51 O HETATM 1562 O HOH 59 18.454 12.172 45.126 1.00 33.21 O HETATM 1563 O HOH 60 16.955 16.163 42.375 1.00 36.80 O HETATM 1564 O HOH 61 21.513 23.375 14.070 1.00 33.73 O HETATM 1565 O HOH 62 -5.100 23.624 25.645 1.00 22.72 O HETATM 1566 O HOH 63 15.504 8.059 40.386 1.00 41.62 O HETATM 1567 O HOH 64 18.086 31.267 17.768 1.00 40.82 O HETATM 1568 O HOH 65 27.780 15.957 23.614 1.00 31.00 O HETATM 1569 O HOH 66 29.367 13.832 23.735 1.00 40.23 O HETATM 1570 O HOH 67 2.883 15.563 12.843 1.00 36.55 O HETATM 1571 O HOH 68 19.029 26.575 32.082 1.00 36.63 O HETATM 1572 O HOH 69 -0.160 29.043 29.766 1.00 43.22 O HETATM 1573 O HOH 70 9.706 7.983 20.476 1.00 32.07 O HETATM 1574 O HOH 71 13.115 1.611 37.742 1.00 32.28 O HETATM 1575 O HOH 72 3.509 15.822 16.007 1.00 36.16 O HETATM 1576 O HOH 73 6.972 2.369 13.648 1.00 38.23 O HETATM 1577 O HOH 74 -4.882 16.769 24.201 1.00 26.75 O HETATM 1578 O HOH 75 -6.198 26.255 28.644 1.00 25.52 O HETATM 1579 O HOH 76 9.046 10.573 9.841 1.00 21.27 O HETATM 1580 O HOH 77 21.886 7.704 41.829 1.00 12.45 O HETATM 1581 O HOH 78 29.180 11.583 22.473 1.00 21.66 O HETATM 1582 O HOH 79 2.479 3.567 11.783 1.00 16.53 O HETATM 1583 O HOH 80 22.267 15.565 40.370 1.00 14.26 O HETATM 1584 O HOH 81 13.595 -2.129 20.467 1.00 13.94 O HETATM 1585 O HOH 82 13.272 27.125 12.964 1.00 48.59 O HETATM 1586 O HOH 83 2.408 26.573 35.103 1.00 43.56 O HETATM 1587 CAA UNN A 84 6.471 22.512 12.968 1.00 -0.01 C HETATM 1588 SAT UNN A 84 6.882 21.739 14.518 1.00 -0.11 S HETATM 1589 CAY UNN A 84 6.581 23.088 15.657 1.00 0.02 C HETATM 1590 CAG UNN A 84 6.239 24.342 15.158 1.00 -0.06 C HETATM 1591 CAE UNN A 84 6.002 25.402 16.017 1.00 -0.07 C HETATM 1592 CAF UNN A 84 6.122 25.194 17.379 1.00 -0.08 C HETATM 1593 CAH UNN A 84 6.444 23.935 17.877 1.00 -0.06 C HETATM 1594 CAZ UNN A 84 6.729 22.857 17.028 1.00 -0.01 C HETATM 1595 CBA UNN A 84 7.069 21.496 17.327 1.00 0.08 C HETATM 1596 CAP UNN A 84 8.592 21.287 17.777 1.00 -0.02 C HETATM 1597 CAM UNN A 84 8.604 22.128 18.983 1.00 -0.03 C HETATM 1598 CAQ UNN A 84 7.515 21.197 19.538 1.00 0.04 C HETATM 1599 N1 UNN A 84 6.408 21.235 18.625 1.00 -0.26 N HETATM 1600 C UNN A 84 5.149 20.965 18.998 1.00 0.20 C HETATM 1601 O UNN A 84 4.837 20.665 20.148 1.00 -0.39 O HETATM 1602 CA UNN A 84 4.114 20.906 17.883 1.00 0.12 C HETATM 1603 N UNN A 84 2.936 20.185 18.378 1.00 -0.25 N HETATM 1604 CAU UNN A 84 2.760 18.872 18.196 1.00 0.26 C HETATM 1605 OAC UNN A 84 3.558 18.176 17.562 1.00 -0.40 O HETATM 1606 N2 UNN A 84 1.640 18.358 18.704 1.00 -0.26 N HETATM 1607 CAO UNN A 84 1.280 16.939 18.599 1.00 0.06 C HETATM 1608 CAX UNN A 84 1.059 16.503 19.899 1.00 -0.03 C HETATM 1609 CAK UNN A 84 2.018 16.777 20.868 1.00 -0.07 C HETATM 1610 CAI UNN A 84 1.823 16.370 22.179 1.00 -0.05 C HETATM 1611 CAW UNN A 84 0.663 15.690 22.524 1.00 0.03 C HETATM 1612 N3 UNN A 84 0.490 15.308 23.787 1.00 -0.34 N HETATM 1613 H23 UNN A 84 -0.365 14.803 24.060 1.00 0.17 H HETATM 1614 H24 UNN A 84 1.211 15.518 24.492 1.00 0.17 H HETATM 1615 CAJ UNN A 84 -0.302 15.412 21.556 1.00 -0.05 C HETATM 1616 CAL UNN A 84 -0.105 15.823 20.241 1.00 -0.07 C HETATM 1617 H26 UNN A 84 -0.855 15.614 19.487 1.00 0.05 H HETATM 1618 H25 UNN A 84 -1.204 14.876 21.828 1.00 0.05 H HETATM 1619 H22 UNN A 84 2.574 16.582 22.932 1.00 0.05 H HETATM 1620 H21 UNN A 84 2.922 17.311 20.597 1.00 0.05 H HETATM 1621 H19 UNN A 84 2.101 16.369 18.139 1.00 0.07 H HETATM 1622 H20 UNN A 84 0.368 16.820 17.996 1.00 0.07 H HETATM 1623 H18 UNN A 84 1.012 18.972 19.182 1.00 0.19 H HETATM 1624 H17 UNN A 84 2.234 20.698 18.873 1.00 0.19 H HETATM 1625 H15 UNN A 84 4.534 20.378 17.014 1.00 0.08 H HETATM 1626 H16 UNN A 84 3.828 21.926 17.588 1.00 0.08 H HETATM 1627 H13 UNN A 84 7.194 21.544 20.531 1.00 0.05 H HETATM 1628 H14 UNN A 84 7.902 20.170 19.616 1.00 0.05 H HETATM 1629 H11 UNN A 84 8.284 23.168 18.823 1.00 0.03 H HETATM 1630 H12 UNN A 84 9.550 22.117 19.544 1.00 0.03 H HETATM 1631 H9 UNN A 84 9.299 21.650 17.016 1.00 0.03 H HETATM 1632 H10 UNN A 84 8.811 20.234 18.008 1.00 0.03 H HETATM 1633 H8 UNN A 84 6.772 20.817 16.514 1.00 0.07 H HETATM 1634 H7 UNN A 84 6.475 23.784 18.950 1.00 0.05 H HETATM 1635 H6 UNN A 84 5.964 26.019 18.064 1.00 0.05 H HETATM 1636 H5 UNN A 84 5.728 26.376 15.629 1.00 0.05 H HETATM 1637 H4 UNN A 84 6.157 24.490 14.087 1.00 0.05 H HETATM 1638 H1 UNN A 84 6.610 21.790 12.150 1.00 0.04 H HETATM 1639 H2 UNN A 84 7.127 23.380 12.806 1.00 0.04 H HETATM 1640 H3 UNN A 84 5.423 22.844 12.990 1.00 0.04 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1587 1588 1638 1639 1640 CONECT 1588 1587 1589 CONECT 1589 1588 1590 1594 CONECT 1590 1589 1591 1637 CONECT 1591 1590 1592 1636 CONECT 1592 1591 1593 1635 CONECT 1593 1592 1594 1634 CONECT 1594 1589 1593 1595 CONECT 1595 1594 1596 1599 1633 CONECT 1596 1595 1597 1631 1632 CONECT 1597 1596 1598 1629 1630 CONECT 1598 1597 1599 1627 1628 CONECT 1599 1595 1598 1600 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1625 1626 CONECT 1603 1602 1604 1624 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1623 CONECT 1607 1606 1608 1621 1622 CONECT 1608 1607 1609 1616 CONECT 1609 1608 1610 1620 CONECT 1610 1609 1611 1619 CONECT 1611 1610 1612 1615 CONECT 1612 1611 1613 1614 CONECT 1613 1612 CONECT 1614 1612 CONECT 1615 1611 1616 1618 CONECT 1616 1608 1615 1617 CONECT 1617 1616 CONECT 1618 1615 CONECT 1619 1610 CONECT 1620 1609 CONECT 1621 1607 CONECT 1622 1607 CONECT 1623 1606 CONECT 1624 1603 CONECT 1625 1602 CONECT 1626 1602 CONECT 1627 1598 CONECT 1628 1598 CONECT 1629 1597 CONECT 1630 1597 CONECT 1631 1596 CONECT 1632 1596 CONECT 1633 1595 CONECT 1634 1593 CONECT 1635 1592 CONECT 1636 1591 CONECT 1637 1590 CONECT 1638 1587 CONECT 1639 1587 CONECT 1640 1587 MASTER 0 0 0 0 0 0 0 0 1639 1 58 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4j5b
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%
4j59
RCSB PDB
PDBbind
164aa, >4J59_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
4j5b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
6B4
EC.Number
E.C.5.2.1.8
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
IC50=0.6uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
2
1
H
2
6
N
4
O
2
S
Molecular Weight
398.522
Exact Mass
398.178
No. of atoms
54
No. of bonds
56
Polar Surface Area
112.76
LOGP Value
2.24 (
Computed with XLOGP3
)
4.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc(cc1)N
InChI String
InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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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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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
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