Browse entries in the PDBbind-CN Database
HEADER 4J5D_COMPLEX COMPND 4J5D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 X 164 GLY ASN PRO LEU VAL TYR LEU ASP VAL ASP ALA ASN GLY SEQRES 2 X 164 LYS PRO LEU GLY ARG VAL VAL LEU GLU LEU LYS ALA ASP SEQRES 3 X 164 VAL VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU CYS SEQRES 4 X 164 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER THR PHE SEQRES 5 X 164 HIS ARG VAL ILE PRO SER PHE MET CYS GLN ALA GLY ASP SEQRES 6 X 164 PHE THR ASN HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 X 164 GLY SER ARG PHE PRO ASP GLU ASN PHE THR LEU LYS HIS SEQRES 8 X 164 VAL GLY PRO GLY VAL LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 X 164 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ILE LYS SEQRES 10 X 164 THR ASP TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY HIS SEQRES 11 X 164 VAL ILE GLU GLY MET ASP VAL VAL LYS LYS ILE GLU SER SEQRES 12 X 164 PHE GLY SER LYS SER GLY ARG THR SER LYS LYS ILE VAL SEQRES 13 X 164 ILE THR ASP CYS GLY GLN LEU SER HET UNN A 511 50 ATOM 1 N GLY X 44 20.447 12.475 42.836 1.00 14.51 N ATOM 2 CA GLY X 44 20.459 13.605 41.929 1.00 12.42 C ATOM 3 C GLY X 44 19.467 13.405 40.805 1.00 11.12 C ATOM 4 O GLY X 44 18.641 12.489 40.846 1.00 11.85 O ATOM 5 HN3 GLY X 44 20.701 11.611 42.315 1.00 0.00 H ATOM 6 HN2 GLY X 44 19.496 12.369 43.243 1.00 0.00 H ATOM 7 HN1 GLY X 44 21.136 12.636 43.598 1.00 0.00 H ATOM 8 N ASN X 45 19.549 14.265 39.798 1.00 9.35 N ATOM 9 CA ASN X 45 18.661 14.177 38.647 1.00 7.87 C ATOM 10 C ASN X 45 18.881 12.895 37.862 1.00 7.65 C ATOM 11 O ASN X 45 20.015 12.442 37.714 1.00 7.76 O ATOM 12 CB ASN X 45 18.895 15.362 37.718 1.00 7.44 C ATOM 13 CG ASN X 45 18.294 16.646 38.241 1.00 7.45 C ATOM 14 OD1 ASN X 45 17.361 16.632 39.038 1.00 7.84 O ATOM 15 ND2 ASN X 45 18.825 17.771 37.780 1.00 7.53 N ATOM 16 HD22 ASN X 45 19.615 17.735 37.105 1.00 0.00 H ATOM 17 HD21 ASN X 45 18.451 18.689 38.094 1.00 0.00 H ATOM 18 H ASN X 45 20.264 15.019 39.831 1.00 0.00 H ATOM 19 N PRO X 46 17.798 12.306 37.340 1.00 6.82 N ATOM 20 CA PRO X 46 17.968 11.104 36.515 1.00 7.26 C ATOM 21 C PRO X 46 18.798 11.350 35.257 1.00 6.17 C ATOM 22 O PRO X 46 18.706 12.419 34.645 1.00 6.80 O ATOM 23 CB PRO X 46 16.529 10.758 36.107 1.00 8.29 C ATOM 24 CG PRO X 46 15.677 11.358 37.184 1.00 8.17 C ATOM 25 CD PRO X 46 16.378 12.630 37.569 1.00 6.70 C ATOM 26 N LEU X 47 19.612 10.366 34.894 1.00 5.85 N ATOM 27 CA LEU X 47 20.205 10.297 33.564 1.00 5.56 C ATOM 28 C LEU X 47 19.525 9.147 32.841 1.00 5.68 C ATOM 29 O LEU X 47 19.436 8.041 33.373 1.00 6.11 O ATOM 30 CB LEU X 47 21.714 10.027 33.635 1.00 6.22 C ATOM 31 CG LEU X 47 22.647 11.105 34.185 1.00 7.33 C ATOM 32 CD1 LEU X 47 24.111 10.713 33.936 1.00 8.41 C ATOM 33 CD2 LEU X 47 22.326 12.481 33.586 1.00 8.89 C ATOM 34 H LEU X 47 19.834 9.619 35.582 1.00 0.00 H ATOM 35 N VAL X 48 19.027 9.409 31.640 1.00 5.34 N ATOM 36 CA VAL X 48 18.417 8.362 30.830 1.00 4.67 C ATOM 37 C VAL X 48 19.090 8.299 29.460 1.00 4.95 C ATOM 38 O VAL X 48 19.850 9.196 29.091 1.00 5.69 O ATOM 39 CB VAL X 48 16.889 8.573 30.693 1.00 4.45 C ATOM 40 CG1 VAL X 48 16.209 8.493 32.063 1.00 6.00 C ATOM 41 CG2 VAL X 48 16.579 9.905 30.013 1.00 5.08 C ATOM 42 H VAL X 48 19.073 10.380 31.269 1.00 0.00 H ATOM 43 N TYR X 49 18.830 7.233 28.714 1.00 5.58 N ATOM 44 CA TYR X 49 19.429 7.082 27.387 1.00 5.84 C ATOM 45 C TYR X 49 18.416 6.670 26.338 1.00 6.06 C ATOM 46 O TYR X 49 17.435 5.993 26.643 1.00 6.79 O ATOM 47 CB TYR X 49 20.594 6.076 27.398 1.00 6.13 C ATOM 48 CG TYR X 49 20.191 4.638 27.675 1.00 7.09 C ATOM 49 CD1 TYR X 49 19.916 3.750 26.635 1.00 7.88 C ATOM 50 CD2 TYR X 49 20.084 4.170 28.976 1.00 7.55 C ATOM 51 CE1 TYR X 49 19.544 2.433 26.893 1.00 8.29 C ATOM 52 CE2 TYR X 49 19.720 2.859 29.244 1.00 8.53 C ATOM 53 CZ TYR X 49 19.445 1.998 28.200 1.00 9.24 C ATOM 54 OH TYR X 49 19.076 0.696 28.472 1.00 11.18 O ATOM 55 HH TYR X 49 18.248 0.695 29.014 1.00 0.00 H ATOM 56 H TYR X 49 18.193 6.496 29.077 1.00 0.00 H ATOM 57 N LEU X 50 18.680 7.089 25.102 1.00 6.00 N ATOM 58 CA LEU X 50 17.981 6.604 23.911 1.00 6.11 C ATOM 59 C LEU X 50 19.041 6.072 22.958 1.00 7.10 C ATOM 60 O LEU X 50 19.952 6.810 22.589 1.00 7.24 O ATOM 61 CB LEU X 50 17.248 7.754 23.213 1.00 6.57 C ATOM 62 CG LEU X 50 16.335 8.645 24.053 1.00 6.39 C ATOM 63 CD1 LEU X 50 15.809 9.823 23.220 1.00 6.84 C ATOM 64 CD2 LEU X 50 15.195 7.824 24.660 1.00 6.64 C ATOM 65 H LEU X 50 19.426 7.802 24.976 1.00 0.00 H ATOM 66 N ASP X 51 18.938 4.802 22.570 1.00 7.73 N ATOM 67 CA ASP X 51 19.772 4.274 21.488 1.00 6.51 C ATOM 68 C ASP X 51 18.962 4.369 20.208 1.00 6.84 C ATOM 69 O ASP X 51 17.828 3.910 20.161 1.00 7.77 O ATOM 70 CB ASP X 51 20.179 2.821 21.753 1.00 8.07 C ATOM 71 CG ASP X 51 21.114 2.685 22.939 1.00 9.17 C ATOM 72 OD1 ASP X 51 21.904 3.617 23.188 1.00 9.18 O ATOM 73 OD2 ASP X 51 21.052 1.646 23.629 1.00 10.26 O ATOM 74 H ASP X 51 18.255 4.176 23.042 1.00 0.00 H ATOM 75 N VAL X 52 19.534 4.971 19.173 1.00 7.07 N ATOM 76 CA VAL X 52 18.760 5.318 17.986 1.00 7.92 C ATOM 77 C VAL X 52 19.354 4.711 16.717 1.00 8.67 C ATOM 78 O VAL X 52 20.555 4.825 16.481 1.00 9.87 O ATOM 79 CB VAL X 52 18.661 6.859 17.821 1.00 7.87 C ATOM 80 CG1 VAL X 52 17.760 7.212 16.654 1.00 8.97 C ATOM 81 CG2 VAL X 52 18.159 7.513 19.114 1.00 8.19 C ATOM 82 H VAL X 52 20.548 5.199 19.208 1.00 0.00 H ATOM 83 N ASP X 53 18.500 4.061 15.924 1.00 7.88 N ATOM 84 CA ASP X 53 18.839 3.533 14.602 1.00 8.91 C ATOM 85 C ASP X 53 18.344 4.496 13.531 1.00 9.21 C ATOM 86 O ASP X 53 17.353 5.196 13.726 1.00 9.24 O ATOM 87 CB ASP X 53 18.068 2.232 14.341 1.00 9.59 C ATOM 88 CG ASP X 53 18.828 0.983 14.724 1.00 9.00 C ATOM 89 OD1 ASP X 53 18.347 -0.107 14.339 1.00 8.87 O ATOM 90 OD2 ASP X 53 19.867 1.065 15.409 1.00 8.63 O ATOM 91 H ASP X 53 17.529 3.920 16.268 1.00 0.00 H ATOM 92 N ALA X 54 19.003 4.492 12.379 1.00 10.01 N ATOM 93 CA ALA X 54 18.434 5.079 11.173 1.00 11.01 C ATOM 94 C ALA X 54 18.500 4.010 10.105 1.00 12.04 C ATOM 95 O ALA X 54 19.591 3.544 9.777 1.00 12.41 O ATOM 96 CB ALA X 54 19.233 6.289 10.742 1.00 12.15 C ATOM 97 H ALA X 54 19.948 4.060 12.336 1.00 0.00 H ATOM 98 N ASN X 55 17.346 3.617 9.571 1.00 13.02 N ATOM 99 CA ASN X 55 17.292 2.533 8.590 1.00 14.69 C ATOM 100 C ASN X 55 18.001 1.268 9.085 1.00 15.52 C ATOM 101 O ASN X 55 18.722 0.614 8.331 1.00 16.89 O ATOM 102 CB ASN X 55 17.884 2.985 7.254 1.00 15.39 C ATOM 103 CG ASN X 55 17.006 3.985 6.526 1.00 14.97 C ATOM 104 OD1 ASN X 55 15.808 4.100 6.797 1.00 15.12 O ATOM 105 ND2 ASN X 55 17.597 4.704 5.577 1.00 14.38 N ATOM 106 HD22 ASN X 55 18.610 4.575 5.382 1.00 0.00 H ATOM 107 HD21 ASN X 55 17.046 5.396 5.030 1.00 0.00 H ATOM 108 H ASN X 55 16.465 4.090 9.857 1.00 0.00 H ATOM 109 N GLY X 56 17.809 0.954 10.365 1.00 14.72 N ATOM 110 CA GLY X 56 18.322 -0.273 10.954 1.00 14.92 C ATOM 111 C GLY X 56 19.793 -0.247 11.316 1.00 15.29 C ATOM 112 O GLY X 56 20.355 -1.244 11.766 1.00 16.18 O ATOM 113 H GLY X 56 17.272 1.611 10.966 1.00 0.00 H ATOM 114 N LYS X 57 20.413 0.908 11.125 1.00 14.65 N ATOM 115 CA LYS X 57 21.822 1.102 11.417 1.00 14.29 C ATOM 116 C LYS X 57 21.980 1.912 12.702 1.00 12.54 C ATOM 117 O LYS X 57 21.422 2.994 12.810 1.00 11.35 O ATOM 118 CB LYS X 57 22.384 1.901 10.245 1.00 15.63 C ATOM 119 CG LYS X 57 23.690 2.560 10.503 1.00 17.53 C ATOM 120 CD LYS X 57 24.754 1.516 10.472 1.00 18.69 C ATOM 121 CE LYS X 57 25.924 1.987 9.658 1.00 19.71 C ATOM 122 NZ LYS X 57 27.013 2.392 10.571 1.00 20.08 N ATOM 123 HZ1 LYS X 57 26.680 3.162 11.186 1.00 0.00 H ATOM 124 HZ2 LYS X 57 27.295 1.578 11.154 1.00 0.00 H ATOM 125 HZ3 LYS X 57 27.827 2.720 10.013 1.00 0.00 H ATOM 126 H LYS X 57 19.867 1.710 10.750 1.00 0.00 H ATOM 127 N PRO X 58 22.745 1.399 13.677 1.00 11.63 N ATOM 128 CA PRO X 58 22.847 2.144 14.937 1.00 10.95 C ATOM 129 C PRO X 58 23.607 3.458 14.774 1.00 10.65 C ATOM 130 O PRO X 58 24.682 3.474 14.177 1.00 10.85 O ATOM 131 CB PRO X 58 23.619 1.186 15.849 1.00 11.60 C ATOM 132 CG PRO X 58 24.414 0.324 14.909 1.00 12.14 C ATOM 133 CD PRO X 58 23.543 0.160 13.687 1.00 11.35 C ATOM 134 N LEU X 59 23.040 4.545 15.289 1.00 9.69 N ATOM 135 CA LEU X 59 23.698 5.845 15.252 1.00 10.11 C ATOM 136 C LEU X 59 24.492 6.080 16.522 1.00 9.16 C ATOM 137 O LEU X 59 25.391 6.924 16.563 1.00 10.09 O ATOM 138 CB LEU X 59 22.666 6.960 15.134 1.00 9.97 C ATOM 139 CG LEU X 59 21.804 6.988 13.883 1.00 10.77 C ATOM 140 CD1 LEU X 59 20.830 8.157 13.977 1.00 10.90 C ATOM 141 CD2 LEU X 59 22.692 7.086 12.645 1.00 12.31 C ATOM 142 H LEU X 59 22.102 4.465 15.730 1.00 0.00 H ATOM 143 N GLY X 60 24.132 5.347 17.568 1.00 8.07 N ATOM 144 CA GLY X 60 24.707 5.558 18.880 1.00 7.05 C ATOM 145 C GLY X 60 23.687 5.939 19.938 1.00 7.26 C ATOM 146 O GLY X 60 22.488 5.675 19.803 1.00 7.56 O ATOM 147 H GLY X 60 23.418 4.601 17.442 1.00 0.00 H ATOM 148 N ARG X 61 24.172 6.579 20.997 1.00 6.87 N ATOM 149 CA ARG X 61 23.371 6.809 22.197 1.00 6.94 C ATOM 150 C ARG X 61 23.251 8.288 22.536 1.00 6.41 C ATOM 151 O ARG X 61 24.240 9.020 22.522 1.00 7.63 O ATOM 152 CB ARG X 61 23.982 6.053 23.380 1.00 7.05 C ATOM 153 CG ARG X 61 23.300 6.322 24.717 1.00 6.89 C ATOM 154 CD ARG X 61 23.778 5.350 25.783 1.00 6.33 C ATOM 155 NE ARG X 61 23.268 4.008 25.523 1.00 6.74 N ATOM 156 CZ ARG X 61 23.384 2.981 26.358 1.00 7.79 C ATOM 157 NH1 ARG X 61 24.003 3.135 27.520 1.00 8.56 N ATOM 158 NH2 ARG X 61 22.873 1.802 26.029 1.00 9.05 N ATOM 159 HE ARG X 61 22.779 3.844 24.620 1.00 0.00 H ATOM 160 HH12 ARG X 61 24.093 2.330 28.172 1.00 0.00 H ATOM 161 HH11 ARG X 61 24.399 4.061 27.780 1.00 0.00 H ATOM 162 HH22 ARG X 61 22.962 0.996 26.681 1.00 0.00 H ATOM 163 HH21 ARG X 61 22.383 1.683 25.119 1.00 0.00 H ATOM 164 H ARG X 61 25.152 6.927 20.971 1.00 0.00 H ATOM 165 N VAL X 62 22.029 8.726 22.832 1.00 5.75 N ATOM 166 CA VAL X 62 21.796 10.065 23.356 1.00 5.91 C ATOM 167 C VAL X 62 21.543 9.925 24.853 1.00 5.80 C ATOM 168 O VAL X 62 20.658 9.179 25.271 1.00 6.74 O ATOM 169 CB VAL X 62 20.580 10.736 22.676 1.00 5.82 C ATOM 170 CG1 VAL X 62 20.367 12.148 23.229 1.00 5.89 C ATOM 171 CG2 VAL X 62 20.752 10.762 21.157 1.00 6.78 C ATOM 172 H VAL X 62 21.217 8.093 22.685 1.00 0.00 H ATOM 173 N VAL X 63 22.347 10.606 25.659 1.00 5.57 N ATOM 174 CA VAL X 63 22.144 10.593 27.102 1.00 5.38 C ATOM 175 C VAL X 63 21.529 11.924 27.518 1.00 5.36 C ATOM 176 O VAL X 63 22.005 12.983 27.118 1.00 5.57 O ATOM 177 CB VAL X 63 23.455 10.345 27.876 1.00 5.80 C ATOM 178 CG1 VAL X 63 23.194 10.414 29.378 1.00 6.26 C ATOM 179 CG2 VAL X 63 24.067 8.992 27.484 1.00 6.63 C ATOM 180 H VAL X 63 23.132 11.156 25.256 1.00 0.00 H ATOM 181 N LEU X 64 20.464 11.864 28.312 1.00 4.77 N ATOM 182 CA LEU X 64 19.721 13.056 28.680 1.00 4.57 C ATOM 183 C LEU X 64 19.695 13.210 30.187 1.00 4.38 C ATOM 184 O LEU X 64 19.440 12.243 30.905 1.00 5.24 O ATOM 185 CB LEU X 64 18.283 12.942 28.163 1.00 4.79 C ATOM 186 CG LEU X 64 18.117 12.825 26.645 1.00 5.44 C ATOM 187 CD1 LEU X 64 16.729 12.309 26.289 1.00 5.95 C ATOM 188 CD2 LEU X 64 18.395 14.167 25.973 1.00 6.18 C ATOM 189 H LEU X 64 20.156 10.941 28.678 1.00 0.00 H ATOM 190 N GLU X 65 19.958 14.421 30.671 1.00 4.50 N ATOM 191 CA GLU X 65 19.697 14.727 32.072 1.00 4.46 C ATOM 192 C GLU X 65 18.258 15.206 32.195 1.00 4.92 C ATOM 193 O GLU X 65 17.828 16.065 31.437 1.00 5.50 O ATOM 194 CB GLU X 65 20.646 15.802 32.614 1.00 4.44 C ATOM 195 CG GLU X 65 20.267 16.235 34.041 1.00 5.42 C ATOM 196 CD GLU X 65 21.207 17.245 34.664 1.00 5.38 C ATOM 197 OE1 GLU X 65 22.228 17.593 34.035 1.00 6.32 O ATOM 198 OE2 GLU X 65 20.914 17.689 35.803 1.00 5.77 O ATOM 199 H GLU X 65 20.352 15.153 30.046 1.00 0.00 H ATOM 200 N LEU X 66 17.515 14.636 33.136 1.00 5.14 N ATOM 201 CA LEU X 66 16.153 15.086 33.396 1.00 4.62 C ATOM 202 C LEU X 66 16.148 15.977 34.633 1.00 5.25 C ATOM 203 O LEU X 66 16.559 15.550 35.714 1.00 5.80 O ATOM 204 CB LEU X 66 15.218 13.886 33.582 1.00 4.60 C ATOM 205 CG LEU X 66 15.286 12.823 32.479 1.00 4.73 C ATOM 206 CD1 LEU X 66 14.295 11.683 32.759 1.00 5.10 C ATOM 207 CD2 LEU X 66 15.069 13.440 31.093 1.00 4.81 C ATOM 208 H LEU X 66 17.911 13.855 33.697 1.00 0.00 H ATOM 209 N LYS X 67 15.686 17.214 34.474 1.00 5.43 N ATOM 210 CA LYS X 67 15.784 18.204 35.538 1.00 5.48 C ATOM 211 C LYS X 67 14.665 18.050 36.563 1.00 5.97 C ATOM 212 O LYS X 67 13.784 18.911 36.701 1.00 6.10 O ATOM 213 CB LYS X 67 15.844 19.615 34.941 1.00 6.42 C ATOM 214 CG LYS X 67 17.143 19.895 34.192 1.00 7.38 C ATOM 215 CD LYS X 67 18.311 19.984 35.171 1.00 6.99 C ATOM 216 CE LYS X 67 19.609 20.444 34.515 1.00 6.40 C ATOM 217 NZ LYS X 67 20.744 20.429 35.495 1.00 6.46 N ATOM 218 HZ1 LYS X 67 20.526 21.068 36.286 1.00 0.00 H ATOM 219 HZ2 LYS X 67 20.877 19.462 35.855 1.00 0.00 H ATOM 220 HZ3 LYS X 67 21.614 20.746 35.021 1.00 0.00 H ATOM 221 H LYS X 67 15.245 17.480 33.570 1.00 0.00 H ATOM 222 N ALA X 68 14.729 16.940 37.292 1.00 6.29 N ATOM 223 CA ALA X 68 13.746 16.618 38.320 1.00 6.13 C ATOM 224 C ALA X 68 13.738 17.651 39.439 1.00 6.76 C ATOM 225 O ALA X 68 12.736 17.797 40.135 1.00 7.77 O ATOM 226 CB ALA X 68 13.992 15.211 38.880 1.00 6.46 C ATOM 227 H ALA X 68 15.511 16.275 37.123 1.00 0.00 H ATOM 228 N ASP X 69 14.849 18.352 39.635 1.00 6.91 N ATOM 229 CA ASP X 69 14.862 19.398 40.653 1.00 8.10 C ATOM 230 C ASP X 69 13.889 20.526 40.304 1.00 8.35 C ATOM 231 O ASP X 69 13.304 21.130 41.204 1.00 9.50 O ATOM 232 CB ASP X 69 16.280 19.926 40.938 1.00 8.76 C ATOM 233 CG ASP X 69 17.116 20.111 39.681 1.00 9.24 C ATOM 234 OD1 ASP X 69 16.584 19.947 38.565 1.00 8.82 O ATOM 235 OD2 ASP X 69 18.319 20.437 39.816 1.00 10.30 O ATOM 236 H ASP X 69 15.700 18.158 39.070 1.00 0.00 H ATOM 237 N VAL X 70 13.689 20.765 39.004 1.00 7.64 N ATOM 238 CA VAL X 70 12.881 21.896 38.516 1.00 7.30 C ATOM 239 C VAL X 70 11.471 21.455 38.116 1.00 6.38 C ATOM 240 O VAL X 70 10.476 22.137 38.389 1.00 6.54 O ATOM 241 CB VAL X 70 13.534 22.540 37.256 1.00 6.06 C ATOM 242 CG1 VAL X 70 12.736 23.754 36.782 1.00 6.37 C ATOM 243 CG2 VAL X 70 14.996 22.915 37.518 1.00 5.88 C ATOM 244 H VAL X 70 14.122 20.125 38.308 1.00 0.00 H ATOM 245 N VAL X 71 11.399 20.311 37.448 1.00 5.17 N ATOM 246 CA VAL X 71 10.139 19.797 36.923 1.00 5.07 C ATOM 247 C VAL X 71 10.030 18.310 37.262 1.00 5.13 C ATOM 248 O VAL X 71 10.145 17.450 36.387 1.00 5.03 O ATOM 249 CB VAL X 71 10.016 20.044 35.384 1.00 4.78 C ATOM 250 CG1 VAL X 71 9.533 21.466 35.099 1.00 5.40 C ATOM 251 CG2 VAL X 71 11.344 19.787 34.671 1.00 5.61 C ATOM 252 H VAL X 71 12.269 19.763 37.294 1.00 0.00 H ATOM 253 N PRO X 72 9.817 17.999 38.552 1.00 5.46 N ATOM 254 CA PRO X 72 9.813 16.589 38.967 1.00 5.38 C ATOM 255 C PRO X 72 8.744 15.735 38.285 1.00 5.40 C ATOM 256 O PRO X 72 9.007 14.576 37.961 1.00 5.24 O ATOM 257 CB PRO X 72 9.559 16.667 40.483 1.00 5.63 C ATOM 258 CG PRO X 72 8.942 18.029 40.714 1.00 6.28 C ATOM 259 CD PRO X 72 9.601 18.915 39.691 1.00 5.96 C ATOM 260 N LYS X 73 7.556 16.281 38.058 1.00 4.85 N ATOM 261 CA LYS X 73 6.495 15.467 37.471 1.00 5.06 C ATOM 262 C LYS X 73 6.794 15.137 36.018 1.00 5.16 C ATOM 263 O LYS X 73 6.538 14.026 35.548 1.00 5.19 O ATOM 264 CB LYS X 73 5.153 16.174 37.601 1.00 5.22 C ATOM 265 CG LYS X 73 4.738 16.408 39.038 1.00 5.56 C ATOM 266 CD LYS X 73 3.535 17.328 39.119 1.00 6.45 C ATOM 267 CE LYS X 73 3.087 17.520 40.560 1.00 8.36 C ATOM 268 NZ LYS X 73 4.145 18.107 41.438 1.00 9.12 N ATOM 269 HZ1 LYS X 73 4.973 17.478 41.449 1.00 0.00 H ATOM 270 HZ2 LYS X 73 4.422 19.039 41.070 1.00 0.00 H ATOM 271 HZ3 LYS X 73 3.774 18.211 42.404 1.00 0.00 H ATOM 272 H LYS X 73 7.382 17.278 38.296 1.00 0.00 H ATOM 273 N THR X 74 7.350 16.110 35.313 1.00 5.27 N ATOM 274 CA THR X 74 7.666 15.946 33.904 1.00 4.70 C ATOM 275 C THR X 74 8.868 15.024 33.740 1.00 5.07 C ATOM 276 O THR X 74 8.878 14.161 32.860 1.00 5.16 O ATOM 277 CB THR X 74 7.925 17.316 33.256 1.00 4.74 C ATOM 278 OG1 THR X 74 6.802 18.172 33.523 1.00 4.95 O ATOM 279 CG2 THR X 74 8.116 17.179 31.756 1.00 5.12 C ATOM 280 HG1 THR X 74 6.694 18.277 34.501 1.00 0.00 H ATOM 281 H THR X 74 7.566 17.014 35.779 1.00 0.00 H ATOM 282 N ALA X 75 9.861 15.189 34.612 1.00 4.26 N ATOM 283 CA ALA X 75 11.038 14.320 34.611 1.00 4.67 C ATOM 284 C ALA X 75 10.648 12.877 34.909 1.00 4.93 C ATOM 285 O ALA X 75 11.128 11.952 34.259 1.00 5.65 O ATOM 286 CB ALA X 75 12.068 14.809 35.629 1.00 4.93 C ATOM 287 H ALA X 75 9.798 15.956 35.312 1.00 0.00 H ATOM 288 N GLU X 76 9.772 12.684 35.891 1.00 5.00 N ATOM 289 CA GLU X 76 9.393 11.334 36.297 1.00 5.33 C ATOM 290 C GLU X 76 8.671 10.603 35.173 1.00 5.37 C ATOM 291 O GLU X 76 8.912 9.421 34.927 1.00 5.71 O ATOM 292 CB GLU X 76 8.547 11.360 37.573 1.00 5.68 C ATOM 293 CG GLU X 76 7.898 10.024 37.931 1.00 6.16 C ATOM 294 CD GLU X 76 8.892 8.905 38.216 1.00 7.04 C ATOM 295 OE1 GLU X 76 10.097 9.179 38.412 1.00 6.56 O ATOM 296 OE2 GLU X 76 8.455 7.735 38.248 1.00 7.64 O ATOM 297 H GLU X 76 9.353 13.504 36.375 1.00 0.00 H ATOM 298 N ASN X 77 7.794 11.322 34.483 1.00 4.65 N ATOM 299 CA ASN X 77 7.123 10.770 33.316 1.00 5.32 C ATOM 300 C ASN X 77 8.128 10.255 32.289 1.00 5.10 C ATOM 301 O ASN X 77 8.062 9.106 31.857 1.00 5.57 O ATOM 302 CB ASN X 77 6.200 11.816 32.685 1.00 5.01 C ATOM 303 CG ASN X 77 5.482 11.286 31.459 1.00 5.98 C ATOM 304 OD1 ASN X 77 4.750 10.293 31.548 1.00 6.12 O ATOM 305 ND2 ASN X 77 5.685 11.932 30.309 1.00 6.44 N ATOM 306 HD22 ASN X 77 6.310 12.763 30.283 1.00 0.00 H ATOM 307 HD21 ASN X 77 5.219 11.604 29.439 1.00 0.00 H ATOM 308 H ASN X 77 7.583 12.296 34.781 1.00 0.00 H ATOM 309 N PHE X 78 9.077 11.100 31.903 1.00 5.20 N ATOM 310 CA PHE X 78 10.026 10.709 30.866 1.00 4.29 C ATOM 311 C PHE X 78 10.886 9.544 31.345 1.00 4.57 C ATOM 312 O PHE X 78 11.143 8.610 30.591 1.00 4.44 O ATOM 313 CB PHE X 78 10.896 11.903 30.468 1.00 4.85 C ATOM 314 CG PHE X 78 11.632 11.719 29.167 1.00 4.37 C ATOM 315 CD1 PHE X 78 11.056 12.110 27.960 1.00 5.11 C ATOM 316 CD2 PHE X 78 12.910 11.171 29.150 1.00 5.17 C ATOM 317 CE1 PHE X 78 11.732 11.955 26.767 1.00 5.52 C ATOM 318 CE2 PHE X 78 13.600 11.011 27.961 1.00 5.32 C ATOM 319 CZ PHE X 78 13.008 11.401 26.762 1.00 5.61 C ATOM 320 H PHE X 78 9.144 12.041 32.340 1.00 0.00 H ATOM 321 N ARG X 79 11.307 9.594 32.606 1.00 4.55 N ATOM 322 CA ARG X 79 12.155 8.549 33.170 1.00 5.05 C ATOM 323 C ARG X 79 11.476 7.187 33.057 1.00 5.37 C ATOM 324 O ARG X 79 12.064 6.223 32.555 1.00 5.52 O ATOM 325 CB ARG X 79 12.448 8.845 34.644 1.00 4.73 C ATOM 326 CG ARG X 79 13.399 7.853 35.298 1.00 5.62 C ATOM 327 CD ARG X 79 13.248 7.835 36.819 1.00 6.30 C ATOM 328 NE ARG X 79 11.921 7.360 37.208 1.00 5.66 N ATOM 329 CZ ARG X 79 11.553 6.081 37.203 1.00 6.23 C ATOM 330 NH1 ARG X 79 12.414 5.134 36.842 1.00 6.65 N ATOM 331 NH2 ARG X 79 10.319 5.750 37.557 1.00 6.44 N ATOM 332 HE ARG X 79 11.220 8.067 37.508 1.00 0.00 H ATOM 333 HH12 ARG X 79 12.119 4.137 36.840 1.00 0.00 H ATOM 334 HH11 ARG X 79 13.382 5.391 36.561 1.00 0.00 H ATOM 335 HH22 ARG X 79 10.027 4.752 37.554 1.00 0.00 H ATOM 336 HH21 ARG X 79 9.643 6.489 37.837 1.00 0.00 H ATOM 337 H ARG X 79 11.025 10.397 33.204 1.00 0.00 H ATOM 338 N ALA X 80 10.229 7.118 33.509 1.00 5.50 N ATOM 339 CA ALA X 80 9.476 5.865 33.491 1.00 5.12 C ATOM 340 C ALA X 80 9.158 5.391 32.072 1.00 5.38 C ATOM 341 O ALA X 80 9.104 4.188 31.811 1.00 5.50 O ATOM 342 CB ALA X 80 8.200 5.996 34.324 1.00 5.41 C ATOM 343 H ALA X 80 9.777 7.976 33.885 1.00 0.00 H ATOM 344 N LEU X 81 8.946 6.323 31.151 1.00 5.57 N ATOM 345 CA LEU X 81 8.724 5.934 29.760 1.00 5.78 C ATOM 346 C LEU X 81 9.998 5.376 29.127 1.00 5.89 C ATOM 347 O LEU X 81 9.933 4.542 28.224 1.00 6.41 O ATOM 348 CB LEU X 81 8.162 7.095 28.932 1.00 5.95 C ATOM 349 CG LEU X 81 6.759 7.548 29.339 1.00 5.91 C ATOM 350 CD1 LEU X 81 6.364 8.799 28.566 1.00 5.70 C ATOM 351 CD2 LEU X 81 5.721 6.440 29.134 1.00 7.10 C ATOM 352 H LEU X 81 8.938 7.328 31.419 1.00 0.00 H ATOM 353 N CYS X 82 11.157 5.819 29.606 1.00 4.64 N ATOM 354 CA CYS X 82 12.423 5.246 29.145 1.00 5.45 C ATOM 355 C CYS X 82 12.633 3.830 29.677 1.00 5.68 C ATOM 356 O CYS X 82 13.075 2.947 28.944 1.00 6.70 O ATOM 357 CB CYS X 82 13.601 6.132 29.537 1.00 5.71 C ATOM 358 SG CYS X 82 13.740 7.645 28.554 1.00 6.02 S ATOM 359 H CYS X 82 11.164 6.580 30.315 1.00 0.00 H ATOM 360 N THR X 83 12.326 3.601 30.951 1.00 5.60 N ATOM 361 CA THR X 83 12.541 2.262 31.500 1.00 6.34 C ATOM 362 C THR X 83 11.471 1.295 31.014 1.00 7.66 C ATOM 363 O THR X 83 11.708 0.090 30.944 1.00 8.89 O ATOM 364 CB THR X 83 12.520 2.223 33.040 1.00 6.69 C ATOM 365 OG1 THR X 83 11.203 2.532 33.498 1.00 7.46 O ATOM 366 CG2 THR X 83 13.528 3.194 33.638 1.00 6.93 C ATOM 367 HG1 THR X 83 11.185 2.508 34.488 1.00 0.00 H ATOM 368 H THR X 83 11.940 4.361 31.547 1.00 0.00 H ATOM 369 N GLY X 84 10.297 1.831 30.691 1.00 6.80 N ATOM 370 CA GLY X 84 9.154 1.024 30.303 1.00 7.11 C ATOM 371 C GLY X 84 8.486 0.317 31.470 1.00 7.53 C ATOM 372 O GLY X 84 7.680 -0.591 31.271 1.00 7.53 O ATOM 373 H GLY X 84 10.194 2.866 30.717 1.00 0.00 H ATOM 374 N GLU X 85 8.806 0.734 32.691 1.00 8.38 N ATOM 375 CA GLU X 85 8.356 0.017 33.887 1.00 8.62 C ATOM 376 C GLU X 85 6.842 -0.017 34.119 1.00 8.94 C ATOM 377 O GLU X 85 6.356 -0.856 34.875 1.00 10.36 O ATOM 378 CB GLU X 85 9.059 0.557 35.131 1.00 8.26 C ATOM 379 CG GLU X 85 8.715 1.994 35.462 1.00 7.59 C ATOM 380 CD GLU X 85 9.684 2.599 36.451 1.00 8.26 C ATOM 381 OE1 GLU X 85 10.891 2.681 36.127 1.00 8.41 O ATOM 382 OE2 GLU X 85 9.240 2.987 37.551 1.00 7.99 O ATOM 383 H GLU X 85 9.389 1.588 32.800 1.00 0.00 H ATOM 384 N LYS X 86 6.096 0.883 33.484 1.00 7.70 N ATOM 385 CA LYS X 86 4.635 0.859 33.593 1.00 8.66 C ATOM 386 C LYS X 86 3.990 -0.076 32.571 1.00 9.24 C ATOM 387 O LYS X 86 2.770 -0.243 32.559 1.00 11.82 O ATOM 388 CB LYS X 86 4.047 2.265 33.444 1.00 10.12 C ATOM 389 CG LYS X 86 4.716 3.332 34.300 1.00 11.02 C ATOM 390 CD LYS X 86 4.581 3.059 35.794 1.00 11.29 C ATOM 391 CE LYS X 86 5.153 4.223 36.592 1.00 11.82 C ATOM 392 NZ LYS X 86 5.002 4.060 38.060 1.00 12.36 N ATOM 393 HZ1 LYS X 86 3.992 3.983 38.297 1.00 0.00 H ATOM 394 HZ2 LYS X 86 5.497 3.198 38.365 1.00 0.00 H ATOM 395 HZ3 LYS X 86 5.411 4.885 38.543 1.00 0.00 H ATOM 396 H LYS X 86 6.556 1.613 32.903 1.00 0.00 H ATOM 397 N GLY X 87 4.802 -0.676 31.708 1.00 8.80 N ATOM 398 CA GLY X 87 4.289 -1.591 30.704 1.00 9.79 C ATOM 399 C GLY X 87 4.193 -1.001 29.310 1.00 9.85 C ATOM 400 O GLY X 87 3.724 -1.654 28.379 1.00 11.21 O ATOM 401 H GLY X 87 5.824 -0.487 31.752 1.00 0.00 H ATOM 402 N PHE X 88 4.637 0.242 29.170 1.00 8.73 N ATOM 403 CA PHE X 88 4.673 0.922 27.882 1.00 8.61 C ATOM 404 C PHE X 88 5.749 1.995 27.934 1.00 8.37 C ATOM 405 O PHE X 88 6.251 2.322 29.009 1.00 7.99 O ATOM 406 CB PHE X 88 3.310 1.545 27.553 1.00 9.13 C ATOM 407 CG PHE X 88 2.739 2.390 28.658 1.00 9.08 C ATOM 408 CD1 PHE X 88 3.068 3.734 28.765 1.00 9.27 C ATOM 409 CD2 PHE X 88 1.851 1.846 29.578 1.00 10.09 C ATOM 410 CE1 PHE X 88 2.541 4.515 29.779 1.00 10.07 C ATOM 411 CE2 PHE X 88 1.316 2.621 30.593 1.00 10.50 C ATOM 412 CZ PHE X 88 1.656 3.958 30.693 1.00 10.15 C ATOM 413 H PHE X 88 4.972 0.751 30.013 1.00 0.00 H ATOM 414 N GLY X 89 6.114 2.542 26.781 1.00 7.71 N ATOM 415 CA GLY X 89 7.139 3.566 26.760 1.00 8.04 C ATOM 416 C GLY X 89 7.781 3.732 25.404 1.00 7.11 C ATOM 417 O GLY X 89 7.247 3.272 24.394 1.00 7.04 O ATOM 418 H GLY X 89 5.665 2.236 25.894 1.00 0.00 H ATOM 419 N TYR X 90 8.943 4.376 25.388 1.00 6.77 N ATOM 420 CA TYR X 90 9.554 4.819 24.141 1.00 6.48 C ATOM 421 C TYR X 90 10.176 3.722 23.296 1.00 8.07 C ATOM 422 O TYR X 90 10.389 3.928 22.106 1.00 9.27 O ATOM 423 CB TYR X 90 10.618 5.894 24.410 1.00 5.73 C ATOM 424 CG TYR X 90 10.067 7.177 24.980 1.00 5.85 C ATOM 425 CD1 TYR X 90 9.012 7.839 24.359 1.00 5.57 C ATOM 426 CD2 TYR X 90 10.587 7.720 26.149 1.00 6.20 C ATOM 427 CE1 TYR X 90 8.498 9.013 24.886 1.00 5.10 C ATOM 428 CE2 TYR X 90 10.082 8.896 26.681 1.00 6.12 C ATOM 429 CZ TYR X 90 9.038 9.539 26.043 1.00 5.27 C ATOM 430 OH TYR X 90 8.524 10.706 26.568 1.00 6.05 O ATOM 431 HH TYR X 90 7.788 11.030 25.991 1.00 0.00 H ATOM 432 H TYR X 90 9.429 4.569 26.287 1.00 0.00 H ATOM 433 N LYS X 91 10.488 2.576 23.895 1.00 7.40 N ATOM 434 CA LYS X 91 11.194 1.539 23.145 1.00 8.52 C ATOM 435 C LYS X 91 10.413 1.168 21.893 1.00 9.40 C ATOM 436 O LYS X 91 9.227 0.841 21.969 1.00 9.83 O ATOM 437 CB LYS X 91 11.434 0.293 23.991 1.00 9.22 C ATOM 438 CG LYS X 91 12.232 -0.770 23.258 1.00 9.73 C ATOM 439 CD LYS X 91 12.277 -2.068 24.038 1.00 10.39 C ATOM 440 CE LYS X 91 13.247 -3.049 23.414 1.00 10.83 C ATOM 441 NZ LYS X 91 14.655 -2.645 23.665 1.00 11.31 N ATOM 442 HZ1 LYS X 91 14.823 -1.704 23.254 1.00 0.00 H ATOM 443 HZ2 LYS X 91 14.828 -2.613 24.690 1.00 0.00 H ATOM 444 HZ3 LYS X 91 15.296 -3.336 23.226 1.00 0.00 H ATOM 445 H LYS X 91 10.231 2.419 24.890 1.00 0.00 H ATOM 446 N GLY X 92 11.076 1.259 20.742 1.00 9.98 N ATOM 447 CA GLY X 92 10.468 0.908 19.468 1.00 11.18 C ATOM 448 C GLY X 92 9.756 2.045 18.754 1.00 12.46 C ATOM 449 O GLY X 92 9.320 1.887 17.613 1.00 13.74 O ATOM 450 H GLY X 92 12.061 1.592 20.754 1.00 0.00 H ATOM 451 N SER X 93 9.622 3.190 19.414 1.00 11.72 N ATOM 452 CA SER X 93 8.961 4.336 18.795 1.00 11.23 C ATOM 453 C SER X 93 9.938 5.133 17.918 1.00 10.20 C ATOM 454 O SER X 93 11.138 4.857 17.903 1.00 10.87 O ATOM 455 CB SER X 93 8.269 5.213 19.852 1.00 12.32 C ATOM 456 OG SER X 93 9.207 5.873 20.684 1.00 12.99 O ATOM 457 HG SER X 93 8.725 6.426 21.349 1.00 0.00 H ATOM 458 H SER X 93 9.992 3.271 20.383 1.00 0.00 H ATOM 459 N THR X 94 9.418 6.101 17.170 1.00 9.07 N ATOM 460 CA THR X 94 10.204 6.769 16.139 1.00 9.47 C ATOM 461 C THR X 94 10.372 8.270 16.368 1.00 8.54 C ATOM 462 O THR X 94 9.642 8.875 17.151 1.00 8.68 O ATOM 463 CB THR X 94 9.546 6.583 14.763 1.00 10.46 C ATOM 464 OG1 THR X 94 8.308 7.306 14.732 1.00 11.30 O ATOM 465 CG2 THR X 94 9.285 5.103 14.487 1.00 10.62 C ATOM 466 HG1 THR X 94 7.881 7.189 13.847 1.00 0.00 H ATOM 467 H THR X 94 8.430 6.388 17.323 1.00 0.00 H ATOM 468 N PHE X 95 11.353 8.850 15.681 1.00 8.12 N ATOM 469 CA PHE X 95 11.406 10.289 15.469 1.00 7.90 C ATOM 470 C PHE X 95 10.597 10.556 14.207 1.00 8.46 C ATOM 471 O PHE X 95 11.053 10.255 13.103 1.00 9.04 O ATOM 472 CB PHE X 95 12.854 10.761 15.288 1.00 7.81 C ATOM 473 CG PHE X 95 13.604 10.919 16.579 1.00 7.83 C ATOM 474 CD1 PHE X 95 14.135 9.814 17.236 1.00 8.08 C ATOM 475 CD2 PHE X 95 13.765 12.175 17.143 1.00 7.39 C ATOM 476 CE1 PHE X 95 14.818 9.968 18.440 1.00 7.85 C ATOM 477 CE2 PHE X 95 14.439 12.340 18.339 1.00 7.71 C ATOM 478 CZ PHE X 95 14.973 11.240 18.993 1.00 8.34 C ATOM 479 H PHE X 95 12.107 8.255 15.282 1.00 0.00 H ATOM 480 N HIS X 96 9.388 11.090 14.372 1.00 8.45 N ATOM 481 CA HIS X 96 8.451 11.252 13.249 1.00 8.35 C ATOM 482 C HIS X 96 8.564 12.600 12.544 1.00 8.22 C ATOM 483 O HIS X 96 8.195 12.722 11.378 1.00 8.39 O ATOM 484 CB HIS X 96 6.996 11.038 13.703 1.00 7.98 C ATOM 485 CG HIS X 96 6.531 12.022 14.726 1.00 7.43 C ATOM 486 ND1 HIS X 96 6.785 11.870 16.073 1.00 7.36 N ATOM 487 CD2 HIS X 96 5.835 13.184 14.606 1.00 7.22 C ATOM 488 CE1 HIS X 96 6.268 12.889 16.735 1.00 6.94 C ATOM 489 NE2 HIS X 96 5.686 13.697 15.869 1.00 7.11 N ATOM 490 H HIS X 96 9.098 11.401 15.321 1.00 0.00 H ATOM 491 N ARG X 97 9.048 13.613 13.255 1.00 7.52 N ATOM 492 CA ARG X 97 9.178 14.948 12.678 1.00 7.22 C ATOM 493 C ARG X 97 10.556 15.488 12.988 1.00 7.43 C ATOM 494 O ARG X 97 10.908 15.653 14.146 1.00 7.20 O ATOM 495 CB ARG X 97 8.131 15.915 13.237 1.00 7.59 C ATOM 496 CG ARG X 97 8.328 17.346 12.719 1.00 8.09 C ATOM 497 CD ARG X 97 7.470 18.356 13.447 1.00 8.70 C ATOM 498 NE ARG X 97 6.145 18.508 12.851 1.00 8.36 N ATOM 499 CZ ARG X 97 5.017 18.570 13.549 1.00 8.95 C ATOM 500 NH1 ARG X 97 5.048 18.470 14.874 1.00 8.15 N ATOM 501 NH2 ARG X 97 3.859 18.732 12.920 1.00 9.44 N ATOM 502 HE ARG X 97 6.081 18.572 11.815 1.00 0.00 H ATOM 503 HH12 ARG X 97 4.164 18.519 15.420 1.00 0.00 H ATOM 504 HH11 ARG X 97 5.956 18.343 15.365 1.00 0.00 H ATOM 505 HH22 ARG X 97 2.974 18.781 13.464 1.00 0.00 H ATOM 506 HH21 ARG X 97 3.837 18.810 11.883 1.00 0.00 H ATOM 507 H ARG X 97 9.339 13.452 14.240 1.00 0.00 H ATOM 508 N VAL X 98 11.337 15.754 11.950 1.00 7.19 N ATOM 509 CA VAL X 98 12.680 16.287 12.131 1.00 7.79 C ATOM 510 C VAL X 98 12.866 17.430 11.153 1.00 7.78 C ATOM 511 O VAL X 98 12.745 17.245 9.944 1.00 8.02 O ATOM 512 CB VAL X 98 13.763 15.212 11.893 1.00 8.41 C ATOM 513 CG1 VAL X 98 15.155 15.814 12.017 1.00 9.46 C ATOM 514 CG2 VAL X 98 13.592 14.047 12.870 1.00 8.83 C ATOM 515 H VAL X 98 10.984 15.579 10.988 1.00 0.00 H ATOM 516 N ILE X 99 13.129 18.617 11.687 1.00 8.03 N ATOM 517 CA ILE X 99 13.281 19.821 10.873 1.00 8.35 C ATOM 518 C ILE X 99 14.672 20.398 11.110 1.00 9.27 C ATOM 519 O ILE X 99 14.989 20.803 12.226 1.00 9.00 O ATOM 520 CB ILE X 99 12.204 20.878 11.224 1.00 8.54 C ATOM 521 CG1 ILE X 99 10.800 20.317 10.968 1.00 8.91 C ATOM 522 CG2 ILE X 99 12.435 22.164 10.437 1.00 9.26 C ATOM 523 CD1 ILE X 99 9.669 21.208 11.454 1.00 9.07 C ATOM 524 H ILE X 99 13.230 18.692 12.719 1.00 0.00 H ATOM 525 N PRO X 100 15.514 20.413 10.067 1.00 10.00 N ATOM 526 CA PRO X 100 16.868 20.947 10.236 1.00 10.82 C ATOM 527 C PRO X 100 16.866 22.383 10.717 1.00 11.06 C ATOM 528 O PRO X 100 15.980 23.174 10.355 1.00 11.77 O ATOM 529 CB PRO X 100 17.460 20.852 8.826 1.00 11.51 C ATOM 530 CG PRO X 100 16.760 19.691 8.237 1.00 11.86 C ATOM 531 CD PRO X 100 15.338 19.805 8.736 1.00 11.09 C ATOM 532 N SER X 101 17.855 22.692 11.548 1.00 11.16 N ATOM 533 CA SER X 101 17.976 23.994 12.174 1.00 11.63 C ATOM 534 C SER X 101 16.723 24.301 12.968 1.00 11.29 C ATOM 535 O SER X 101 16.317 25.456 13.036 1.00 13.13 O ATOM 536 CB SER X 101 18.216 25.085 11.132 1.00 11.96 C ATOM 537 OG SER X 101 19.448 24.875 10.480 1.00 12.43 O ATOM 538 HG SER X 101 20.180 24.896 11.146 1.00 0.00 H ATOM 539 H SER X 101 18.573 21.969 11.758 1.00 0.00 H ATOM 540 N PHE X 102 16.120 23.264 13.549 1.00 9.47 N ATOM 541 CA PHE X 102 14.981 23.414 14.444 1.00 8.70 C ATOM 542 C PHE X 102 15.054 22.404 15.584 1.00 8.52 C ATOM 543 O PHE X 102 15.551 22.713 16.678 1.00 8.09 O ATOM 544 CB PHE X 102 13.645 23.418 13.673 1.00 8.19 C ATOM 545 CG PHE X 102 12.429 23.778 14.509 1.00 8.74 C ATOM 546 CD1 PHE X 102 12.514 24.059 15.873 1.00 9.51 C ATOM 547 CD2 PHE X 102 11.183 23.821 13.907 1.00 10.17 C ATOM 548 CE1 PHE X 102 11.374 24.361 16.610 1.00 10.36 C ATOM 549 CE2 PHE X 102 10.037 24.136 14.640 1.00 10.23 C ATOM 550 CZ PHE X 102 10.140 24.407 15.998 1.00 10.05 C ATOM 551 H PHE X 102 16.478 22.307 13.355 1.00 0.00 H ATOM 552 N MET X 103 14.579 21.197 15.321 1.00 8.26 N ATOM 553 CA MET X 103 14.492 20.193 16.366 1.00 7.48 C ATOM 554 C MET X 103 14.200 18.810 15.793 1.00 6.62 C ATOM 555 O MET X 103 13.850 18.667 14.614 1.00 7.00 O ATOM 556 CB MET X 103 13.429 20.591 17.408 1.00 6.93 C ATOM 557 CG MET X 103 12.021 20.769 16.843 1.00 7.75 C ATOM 558 SD MET X 103 11.175 19.190 16.694 1.00 7.82 S ATOM 559 CE MET X 103 10.536 19.284 15.019 1.00 8.96 C ATOM 560 H MET X 103 14.265 20.966 14.357 1.00 0.00 H ATOM 561 N CYS X 104 14.340 17.797 16.641 1.00 6.49 N ATOM 562 CA CYS X 104 13.995 16.423 16.311 1.00 6.22 C ATOM 563 C CYS X 104 12.925 15.984 17.303 1.00 5.84 C ATOM 564 O CYS X 104 13.154 16.024 18.511 1.00 6.47 O ATOM 565 CB CYS X 104 15.225 15.523 16.464 1.00 7.13 C ATOM 566 SG CYS X 104 16.730 16.118 15.634 1.00 7.75 S ATOM 567 H CYS X 104 14.716 17.997 17.590 1.00 0.00 H ATOM 568 N GLN X 105 11.771 15.562 16.792 1.00 5.37 N ATOM 569 CA GLN X 105 10.602 15.241 17.613 1.00 4.94 C ATOM 570 C GLN X 105 10.294 13.752 17.555 1.00 6.08 C ATOM 571 O GLN X 105 10.352 13.137 16.491 1.00 7.12 O ATOM 572 CB GLN X 105 9.383 16.040 17.127 1.00 4.91 C ATOM 573 CG GLN X 105 8.135 15.875 17.981 1.00 5.58 C ATOM 574 CD GLN X 105 6.997 16.761 17.506 1.00 6.08 C ATOM 575 OE1 GLN X 105 7.204 17.686 16.717 1.00 6.74 O ATOM 576 NE2 GLN X 105 5.785 16.472 17.967 1.00 5.78 N ATOM 577 HE22 GLN X 105 5.656 15.682 18.632 1.00 0.00 H ATOM 578 HE21 GLN X 105 4.965 17.035 17.663 1.00 0.00 H ATOM 579 H GLN X 105 11.696 15.455 15.760 1.00 0.00 H ATOM 580 N ALA X 106 9.952 13.179 18.705 1.00 5.75 N ATOM 581 CA ALA X 106 9.754 11.745 18.827 1.00 6.14 C ATOM 582 C ALA X 106 8.711 11.449 19.889 1.00 6.93 C ATOM 583 O ALA X 106 8.138 12.362 20.489 1.00 7.56 O ATOM 584 CB ALA X 106 11.074 11.079 19.199 1.00 5.94 C ATOM 585 H ALA X 106 9.822 13.778 19.545 1.00 0.00 H ATOM 586 N GLY X 107 8.457 10.165 20.118 1.00 7.02 N ATOM 587 CA GLY X 107 7.763 9.757 21.324 1.00 7.24 C ATOM 588 C GLY X 107 6.321 9.311 21.211 1.00 7.06 C ATOM 589 O GLY X 107 5.696 9.035 22.229 1.00 7.77 O ATOM 590 H GLY X 107 8.758 9.448 19.428 1.00 0.00 H ATOM 591 N ASP X 108 5.781 9.236 19.996 1.00 6.79 N ATOM 592 CA ASP X 108 4.424 8.720 19.835 1.00 6.86 C ATOM 593 C ASP X 108 4.453 7.196 19.740 1.00 8.23 C ATOM 594 O ASP X 108 4.532 6.639 18.646 1.00 8.87 O ATOM 595 CB ASP X 108 3.733 9.328 18.606 1.00 7.08 C ATOM 596 CG ASP X 108 2.340 8.760 18.379 1.00 7.89 C ATOM 597 OD1 ASP X 108 1.858 7.986 19.232 1.00 7.81 O ATOM 598 OD2 ASP X 108 1.719 9.095 17.350 1.00 7.98 O ATOM 599 H ASP X 108 6.324 9.544 19.164 1.00 0.00 H ATOM 600 N PHE X 109 4.379 6.532 20.890 1.00 8.63 N ATOM 601 CA PHE X 109 4.426 5.075 20.923 1.00 8.95 C ATOM 602 C PHE X 109 3.048 4.420 20.859 1.00 10.70 C ATOM 603 O PHE X 109 2.943 3.196 20.917 1.00 12.66 O ATOM 604 CB PHE X 109 5.213 4.565 22.139 1.00 9.19 C ATOM 605 CG PHE X 109 4.678 5.037 23.461 1.00 8.14 C ATOM 606 CD1 PHE X 109 3.567 4.435 24.031 1.00 8.78 C ATOM 607 CD2 PHE X 109 5.304 6.059 24.149 1.00 8.62 C ATOM 608 CE1 PHE X 109 3.073 4.871 25.247 1.00 8.83 C ATOM 609 CE2 PHE X 109 4.821 6.495 25.364 1.00 8.55 C ATOM 610 CZ PHE X 109 3.702 5.898 25.917 1.00 8.57 C ATOM 611 H PHE X 109 4.286 7.061 21.781 1.00 0.00 H ATOM 612 N THR X 110 1.990 5.218 20.746 1.00 10.89 N ATOM 613 CA THR X 110 0.654 4.635 20.632 1.00 13.11 C ATOM 614 C THR X 110 0.108 4.614 19.207 1.00 15.26 C ATOM 615 O THR X 110 -0.537 3.645 18.814 1.00 16.50 O ATOM 616 CB THR X 110 -0.379 5.306 21.569 1.00 13.21 C ATOM 617 OG1 THR X 110 -0.638 6.648 21.133 1.00 12.86 O ATOM 618 CG2 THR X 110 0.120 5.303 23.011 1.00 13.27 C ATOM 619 HG1 THR X 110 -1.299 7.068 21.738 1.00 0.00 H ATOM 620 H THR X 110 2.112 6.251 20.739 1.00 0.00 H ATOM 621 N ASN X 111 0.355 5.674 18.439 1.00 15.86 N ATOM 622 CA ASN X 111 -0.152 5.757 17.065 1.00 16.24 C ATOM 623 C ASN X 111 0.967 5.725 16.027 1.00 15.76 C ATOM 624 O ASN X 111 0.711 5.563 14.831 1.00 16.49 O ATOM 625 CB ASN X 111 -1.006 7.016 16.863 1.00 16.99 C ATOM 626 CG ASN X 111 -2.268 7.014 17.704 1.00 18.28 C ATOM 627 OD1 ASN X 111 -2.725 5.968 18.155 1.00 19.22 O ATOM 628 ND2 ASN X 111 -2.844 8.197 17.910 1.00 18.97 N ATOM 629 HD22 ASN X 111 -2.421 9.058 17.508 1.00 0.00 H ATOM 630 HD21 ASN X 111 -3.716 8.260 18.473 1.00 0.00 H ATOM 631 H ASN X 111 0.919 6.459 18.822 1.00 0.00 H ATOM 632 N HIS X 112 2.197 5.895 16.505 1.00 14.48 N ATOM 633 CA HIS X 112 3.402 5.911 15.675 1.00 13.82 C ATOM 634 C HIS X 112 3.338 6.841 14.480 1.00 13.28 C ATOM 635 O HIS X 112 3.872 6.529 13.424 1.00 13.92 O ATOM 636 CB HIS X 112 3.781 4.499 15.232 1.00 14.64 C ATOM 637 CG HIS X 112 4.112 3.598 16.376 1.00 15.10 C ATOM 638 ND1 HIS X 112 5.347 3.598 16.982 1.00 15.38 N ATOM 639 CD2 HIS X 112 3.351 2.716 17.058 1.00 15.81 C ATOM 640 CE1 HIS X 112 5.343 2.723 17.975 1.00 16.04 C ATOM 641 NE2 HIS X 112 4.141 2.174 18.039 1.00 16.30 N ATOM 642 H HIS X 112 2.309 6.024 17.531 1.00 0.00 H ATOM 643 N ASN X 113 2.700 7.993 14.652 1.00 11.98 N ATOM 644 CA ASN X 113 2.586 8.944 13.549 1.00 11.30 C ATOM 645 C ASN X 113 2.611 10.416 13.948 1.00 10.81 C ATOM 646 O ASN X 113 2.541 11.288 13.091 1.00 10.71 O ATOM 647 CB ASN X 113 1.359 8.629 12.683 1.00 11.83 C ATOM 648 CG ASN X 113 0.048 8.762 13.441 1.00 12.51 C ATOM 649 OD1 ASN X 113 -0.020 9.404 14.485 1.00 11.72 O ATOM 650 ND2 ASN X 113 -1.004 8.147 12.910 1.00 13.58 N ATOM 651 HD22 ASN X 113 -0.902 7.614 12.023 1.00 0.00 H ATOM 652 HD21 ASN X 113 -1.930 8.199 13.381 1.00 0.00 H ATOM 653 H ASN X 113 2.280 8.219 15.576 1.00 0.00 H ATOM 654 N GLY X 114 2.707 10.691 15.245 1.00 9.84 N ATOM 655 CA GLY X 114 2.775 12.064 15.708 1.00 9.05 C ATOM 656 C GLY X 114 1.466 12.602 16.249 1.00 9.07 C ATOM 657 O GLY X 114 1.393 13.761 16.639 1.00 9.39 O ATOM 658 H GLY X 114 2.734 9.913 15.935 1.00 0.00 H ATOM 659 N THR X 115 0.428 11.771 16.270 1.00 8.51 N ATOM 660 CA THR X 115 -0.851 12.204 16.833 1.00 9.03 C ATOM 661 C THR X 115 -1.063 11.720 18.256 1.00 10.15 C ATOM 662 O THR X 115 -1.974 12.185 18.937 1.00 11.37 O ATOM 663 CB THR X 115 -2.050 11.687 16.020 1.00 10.32 C ATOM 664 OG1 THR X 115 -2.022 10.250 15.991 1.00 10.97 O ATOM 665 CG2 THR X 115 -2.037 12.247 14.596 1.00 11.14 C ATOM 666 HG1 THR X 115 -1.180 9.946 15.569 1.00 0.00 H ATOM 667 H THR X 115 0.526 10.810 15.885 1.00 0.00 H ATOM 668 N GLY X 116 -0.234 10.783 18.701 1.00 9.26 N ATOM 669 CA GLY X 116 -0.530 10.056 19.921 1.00 9.74 C ATOM 670 C GLY X 116 0.481 10.141 21.041 1.00 9.50 C ATOM 671 O GLY X 116 1.152 11.156 21.228 1.00 9.09 O ATOM 672 H GLY X 116 0.635 10.569 18.171 1.00 0.00 H ATOM 673 N GLY X 117 0.579 9.048 21.790 1.00 10.45 N ATOM 674 CA GLY X 117 1.358 9.018 23.010 1.00 9.97 C ATOM 675 C GLY X 117 0.484 9.155 24.247 1.00 9.38 C ATOM 676 O GLY X 117 -0.681 9.547 24.172 1.00 11.23 O ATOM 677 H GLY X 117 0.080 8.186 21.490 1.00 0.00 H ATOM 678 N LYS X 118 1.049 8.809 25.396 1.00 7.76 N ATOM 679 CA LYS X 118 0.360 8.986 26.664 1.00 6.64 C ATOM 680 C LYS X 118 1.402 9.100 27.760 1.00 5.86 C ATOM 681 O LYS X 118 2.539 8.667 27.583 1.00 6.26 O ATOM 682 CB LYS X 118 -0.590 7.819 26.951 1.00 7.49 C ATOM 683 CG LYS X 118 0.072 6.446 26.961 1.00 7.17 C ATOM 684 CD LYS X 118 -0.929 5.348 27.324 1.00 8.60 C ATOM 685 CE LYS X 118 -0.331 3.966 27.141 1.00 9.36 C ATOM 686 NZ LYS X 118 -1.357 2.892 27.313 1.00 9.80 N ATOM 687 HZ1 LYS X 118 -1.761 2.950 28.269 1.00 0.00 H ATOM 688 HZ2 LYS X 118 -2.111 3.019 26.608 1.00 0.00 H ATOM 689 HZ3 LYS X 118 -0.910 1.963 27.180 1.00 0.00 H ATOM 690 H LYS X 118 2.006 8.402 25.390 1.00 0.00 H ATOM 691 N SER X 119 1.025 9.701 28.881 1.00 6.35 N ATOM 692 CA SER X 119 1.933 9.816 30.014 1.00 5.89 C ATOM 693 C SER X 119 1.702 8.667 30.995 1.00 6.14 C ATOM 694 O SER X 119 0.735 7.911 30.866 1.00 6.82 O ATOM 695 CB SER X 119 1.747 11.158 30.723 1.00 6.15 C ATOM 696 OG SER X 119 0.627 11.134 31.597 1.00 7.35 O ATOM 697 HG SER X 119 -0.192 10.938 31.077 1.00 0.00 H ATOM 698 H SER X 119 0.066 10.096 28.952 1.00 0.00 H ATOM 699 N ILE X 120 2.586 8.541 31.978 1.00 5.59 N ATOM 700 CA ILE X 120 2.381 7.553 33.032 1.00 5.47 C ATOM 701 C ILE X 120 1.214 7.903 33.945 1.00 6.19 C ATOM 702 O ILE X 120 0.744 7.050 34.686 1.00 7.09 O ATOM 703 CB ILE X 120 3.642 7.340 33.885 1.00 5.74 C ATOM 704 CG1 ILE X 120 4.001 8.619 34.649 1.00 6.32 C ATOM 705 CG2 ILE X 120 4.792 6.878 33.006 1.00 6.71 C ATOM 706 CD1 ILE X 120 5.140 8.453 35.642 1.00 7.17 C ATOM 707 H ILE X 120 3.429 9.150 31.997 1.00 0.00 H ATOM 708 N TYR X 121 0.742 9.145 33.876 1.00 5.19 N ATOM 709 CA TYR X 121 -0.338 9.606 34.746 1.00 5.27 C ATOM 710 C TYR X 121 -1.720 9.418 34.138 1.00 5.58 C ATOM 711 O TYR X 121 -2.719 9.426 34.852 1.00 6.23 O ATOM 712 CB TYR X 121 -0.160 11.097 35.071 1.00 5.10 C ATOM 713 CG TYR X 121 1.214 11.448 35.563 1.00 5.05 C ATOM 714 CD1 TYR X 121 1.690 10.929 36.758 1.00 5.52 C ATOM 715 CD2 TYR X 121 2.045 12.294 34.833 1.00 5.74 C ATOM 716 CE1 TYR X 121 2.952 11.228 37.216 1.00 5.84 C ATOM 717 CE2 TYR X 121 3.319 12.608 35.286 1.00 5.64 C ATOM 718 CZ TYR X 121 3.763 12.071 36.486 1.00 6.18 C ATOM 719 OH TYR X 121 5.021 12.356 36.971 1.00 6.26 O ATOM 720 HH TYR X 121 5.156 11.886 37.832 1.00 0.00 H ATOM 721 H TYR X 121 1.152 9.805 33.185 1.00 0.00 H ATOM 722 N GLY X 122 -1.774 9.281 32.818 1.00 5.84 N ATOM 723 CA GLY X 122 -3.028 9.364 32.079 1.00 6.35 C ATOM 724 C GLY X 122 -2.703 9.856 30.682 1.00 6.22 C ATOM 725 O GLY X 122 -1.521 9.956 30.328 1.00 6.86 O ATOM 726 H GLY X 122 -0.892 9.109 32.294 1.00 0.00 H ATOM 727 N SER X 123 -3.712 10.170 29.875 1.00 6.04 N ATOM 728 CA SER X 123 -3.408 10.507 28.481 1.00 6.65 C ATOM 729 C SER X 123 -2.618 11.807 28.356 1.00 7.70 C ATOM 730 O SER X 123 -1.740 11.909 27.492 1.00 8.65 O ATOM 731 CB SER X 123 -4.642 10.491 27.578 1.00 7.97 C ATOM 732 OG SER X 123 -5.543 11.505 27.944 1.00 7.52 O ATOM 733 HG SER X 123 -6.332 11.475 27.347 1.00 0.00 H ATOM 734 H SER X 123 -4.692 10.176 30.224 1.00 0.00 H ATOM 735 N ARG X 124 -2.943 12.793 29.198 1.00 7.03 N ATOM 736 CA ARG X 124 -2.310 14.112 29.154 1.00 7.52 C ATOM 737 C ARG X 124 -2.057 14.598 30.579 1.00 6.33 C ATOM 738 O ARG X 124 -2.745 14.159 31.516 1.00 6.79 O ATOM 739 CB ARG X 124 -3.203 15.127 28.434 1.00 7.47 C ATOM 740 CG ARG X 124 -3.638 14.729 27.035 1.00 7.14 C ATOM 741 CD ARG X 124 -2.518 14.835 26.026 1.00 6.30 C ATOM 742 NE ARG X 124 -2.975 14.482 24.682 1.00 6.56 N ATOM 743 CZ ARG X 124 -2.849 13.277 24.140 1.00 7.69 C ATOM 744 NH1 ARG X 124 -2.269 12.304 24.820 1.00 8.06 N ATOM 745 NH2 ARG X 124 -3.297 13.052 22.916 1.00 8.25 N ATOM 746 HE ARG X 124 -3.429 15.225 24.113 1.00 0.00 H ATOM 747 HH12 ARG X 124 -2.170 11.360 24.395 1.00 0.00 H ATOM 748 HH11 ARG X 124 -1.911 12.482 25.780 1.00 0.00 H ATOM 749 HH22 ARG X 124 -3.198 12.108 22.491 1.00 0.00 H ATOM 750 HH21 ARG X 124 -3.748 13.819 22.378 1.00 0.00 H ATOM 751 H ARG X 124 -3.676 12.616 29.914 1.00 0.00 H ATOM 752 N PHE X 125 -1.102 15.518 30.745 1.00 5.48 N ATOM 753 CA PHE X 125 -0.862 16.123 32.056 1.00 5.31 C ATOM 754 C PHE X 125 -0.479 17.600 31.911 1.00 5.20 C ATOM 755 O PHE X 125 -0.064 18.024 30.831 1.00 6.07 O ATOM 756 CB PHE X 125 0.126 15.287 32.911 1.00 5.59 C ATOM 757 CG PHE X 125 1.556 15.291 32.423 1.00 4.70 C ATOM 758 CD1 PHE X 125 1.955 14.475 31.368 1.00 4.69 C ATOM 759 CD2 PHE X 125 2.518 16.059 33.067 1.00 4.73 C ATOM 760 CE1 PHE X 125 3.282 14.452 30.938 1.00 5.23 C ATOM 761 CE2 PHE X 125 3.841 16.040 32.651 1.00 4.93 C ATOM 762 CZ PHE X 125 4.227 15.240 31.578 1.00 5.67 C ATOM 763 H PHE X 125 -0.522 15.808 29.932 1.00 0.00 H ATOM 764 N PRO X 126 -0.664 18.398 32.977 1.00 5.51 N ATOM 765 CA PRO X 126 -0.498 19.853 32.856 1.00 6.33 C ATOM 766 C PRO X 126 0.929 20.312 32.609 1.00 6.14 C ATOM 767 O PRO X 126 1.891 19.587 32.884 1.00 6.26 O ATOM 768 CB PRO X 126 -0.929 20.382 34.237 1.00 7.55 C ATOM 769 CG PRO X 126 -1.616 19.289 34.913 1.00 7.12 C ATOM 770 CD PRO X 126 -1.168 18.001 34.305 1.00 5.94 C ATOM 771 N ASP X 127 1.053 21.536 32.104 1.00 5.99 N ATOM 772 CA ASP X 127 2.346 22.209 32.034 1.00 6.20 C ATOM 773 C ASP X 127 2.824 22.482 33.450 1.00 6.68 C ATOM 774 O ASP X 127 2.178 23.209 34.201 1.00 7.53 O ATOM 775 CB ASP X 127 2.223 23.525 31.268 1.00 6.05 C ATOM 776 CG ASP X 127 1.794 23.323 29.825 1.00 6.43 C ATOM 777 OD1 ASP X 127 2.254 22.339 29.214 1.00 6.60 O ATOM 778 OD2 ASP X 127 1.001 24.142 29.304 1.00 6.28 O ATOM 779 H ASP X 127 0.207 22.026 31.750 1.00 0.00 H ATOM 780 N GLU X 128 3.955 21.893 33.818 1.00 5.65 N ATOM 781 CA GLU X 128 4.413 21.936 35.202 1.00 5.11 C ATOM 782 C GLU X 128 4.901 23.332 35.586 1.00 5.18 C ATOM 783 O GLU X 128 4.523 23.872 36.627 1.00 6.42 O ATOM 784 CB GLU X 128 5.498 20.880 35.420 1.00 5.32 C ATOM 785 CG GLU X 128 5.854 20.666 36.872 1.00 5.64 C ATOM 786 CD GLU X 128 6.667 19.407 37.100 1.00 5.99 C ATOM 787 OE1 GLU X 128 7.116 18.782 36.115 1.00 6.02 O ATOM 788 OE2 GLU X 128 6.847 19.036 38.275 1.00 6.38 O ATOM 789 H GLU X 128 4.525 21.392 33.107 1.00 0.00 H ATOM 790 N ASN X 129 5.758 23.894 34.742 1.00 5.26 N ATOM 791 CA ASN X 129 6.156 25.298 34.817 1.00 5.65 C ATOM 792 C ASN X 129 6.904 25.640 33.543 1.00 5.50 C ATOM 793 O ASN X 129 7.184 24.754 32.728 1.00 5.57 O ATOM 794 CB ASN X 129 7.026 25.596 36.048 1.00 5.32 C ATOM 795 CG ASN X 129 8.280 24.749 36.106 1.00 5.86 C ATOM 796 OD1 ASN X 129 9.125 24.806 35.214 1.00 5.78 O ATOM 797 ND2 ASN X 129 8.424 23.977 37.180 1.00 5.99 N ATOM 798 HD22 ASN X 129 7.684 23.959 37.911 1.00 0.00 H ATOM 799 HD21 ASN X 129 9.276 23.391 37.289 1.00 0.00 H ATOM 800 H ASN X 129 6.167 23.305 33.989 1.00 0.00 H ATOM 801 N PHE X 130 7.230 26.915 33.366 1.00 5.37 N ATOM 802 CA PHE X 130 8.069 27.329 32.244 1.00 5.52 C ATOM 803 C PHE X 130 9.371 27.933 32.758 1.00 5.96 C ATOM 804 O PHE X 130 9.895 28.899 32.208 1.00 6.85 O ATOM 805 CB PHE X 130 7.306 28.294 31.332 1.00 5.52 C ATOM 806 CG PHE X 130 6.054 27.697 30.760 1.00 6.02 C ATOM 807 CD1 PHE X 130 6.123 26.637 29.869 1.00 6.65 C ATOM 808 CD2 PHE X 130 4.805 28.180 31.128 1.00 6.75 C ATOM 809 CE1 PHE X 130 4.971 26.072 29.344 1.00 7.04 C ATOM 810 CE2 PHE X 130 3.648 27.622 30.606 1.00 7.70 C ATOM 811 CZ PHE X 130 3.731 26.564 29.711 1.00 7.53 C ATOM 812 H PHE X 130 6.883 27.630 34.037 1.00 0.00 H ATOM 813 N THR X 131 9.904 27.335 33.815 1.00 5.04 N ATOM 814 CA THR X 131 11.097 27.877 34.445 1.00 5.42 C ATOM 815 C THR X 131 12.343 27.726 33.578 1.00 5.54 C ATOM 816 O THR X 131 13.107 28.676 33.424 1.00 6.16 O ATOM 817 CB THR X 131 11.302 27.255 35.832 1.00 5.97 C ATOM 818 OG1 THR X 131 10.149 27.539 36.630 1.00 7.60 O ATOM 819 CG2 THR X 131 12.534 27.832 36.516 1.00 6.49 C ATOM 820 HG1 THR X 131 10.266 27.143 37.530 1.00 0.00 H ATOM 821 H THR X 131 9.466 26.472 34.196 1.00 0.00 H ATOM 822 N LEU X 132 12.542 26.539 33.009 1.00 5.00 N ATOM 823 CA LEU X 132 13.653 26.318 32.082 1.00 5.00 C ATOM 824 C LEU X 132 13.310 26.854 30.700 1.00 5.33 C ATOM 825 O LEU X 132 12.164 26.770 30.259 1.00 5.73 O ATOM 826 CB LEU X 132 13.980 24.829 32.002 1.00 5.34 C ATOM 827 CG LEU X 132 14.694 24.264 33.228 1.00 5.75 C ATOM 828 CD1 LEU X 132 14.491 22.759 33.310 1.00 6.40 C ATOM 829 CD2 LEU X 132 16.179 24.609 33.188 1.00 7.21 C ATOM 830 H LEU X 132 11.896 25.754 33.227 1.00 0.00 H ATOM 831 N LYS X 133 14.310 27.396 30.016 1.00 5.32 N ATOM 832 CA LYS X 133 14.083 28.006 28.713 1.00 5.58 C ATOM 833 C LYS X 133 14.754 27.228 27.580 1.00 6.51 C ATOM 834 O LYS X 133 15.648 26.404 27.802 1.00 5.95 O ATOM 835 CB LYS X 133 14.564 29.465 28.709 1.00 6.10 C ATOM 836 CG LYS X 133 14.073 30.297 29.887 1.00 6.10 C ATOM 837 CD LYS X 133 12.556 30.386 29.929 1.00 6.12 C ATOM 838 CE LYS X 133 12.111 31.265 31.088 1.00 6.63 C ATOM 839 NZ LYS X 133 10.628 31.387 31.199 1.00 7.60 N ATOM 840 HZ1 LYS X 133 10.249 31.804 30.325 1.00 0.00 H ATOM 841 HZ2 LYS X 133 10.214 30.444 31.343 1.00 0.00 H ATOM 842 HZ3 LYS X 133 10.391 31.998 32.007 1.00 0.00 H ATOM 843 H LYS X 133 15.270 27.385 30.416 1.00 0.00 H ATOM 844 N HIS X 134 14.303 27.497 26.360 1.00 6.71 N ATOM 845 CA HIS X 134 14.875 26.869 25.179 1.00 6.92 C ATOM 846 C HIS X 134 16.131 27.647 24.793 1.00 8.18 C ATOM 847 O HIS X 134 16.109 28.469 23.880 1.00 9.91 O ATOM 848 CB HIS X 134 13.854 26.860 24.041 1.00 6.83 C ATOM 849 CG HIS X 134 12.623 26.058 24.331 1.00 5.82 C ATOM 850 ND1 HIS X 134 11.556 26.554 25.054 1.00 5.73 N ATOM 851 CD2 HIS X 134 12.286 24.787 23.995 1.00 6.15 C ATOM 852 CE1 HIS X 134 10.616 25.627 25.143 1.00 6.16 C ATOM 853 NE2 HIS X 134 11.038 24.545 24.516 1.00 5.99 N ATOM 854 H HIS X 134 13.521 28.174 26.246 1.00 0.00 H ATOM 855 N VAL X 135 17.226 27.373 25.498 1.00 7.45 N ATOM 856 CA VAL X 135 18.424 28.209 25.423 1.00 8.02 C ATOM 857 C VAL X 135 19.365 27.925 24.251 1.00 8.33 C ATOM 858 O VAL X 135 20.212 28.751 23.928 1.00 9.37 O ATOM 859 CB VAL X 135 19.250 28.134 26.732 1.00 8.59 C ATOM 860 CG1 VAL X 135 18.463 28.712 27.909 1.00 9.45 C ATOM 861 CG2 VAL X 135 19.701 26.698 27.006 1.00 9.35 C ATOM 862 H VAL X 135 17.230 26.540 26.121 1.00 0.00 H ATOM 863 N GLY X 136 19.232 26.765 23.620 1.00 7.12 N ATOM 864 CA GLY X 136 20.134 26.404 22.543 1.00 7.54 C ATOM 865 C GLY X 136 20.009 24.952 22.141 1.00 7.71 C ATOM 866 O GLY X 136 19.081 24.261 22.563 1.00 7.60 O ATOM 867 H GLY X 136 18.475 26.109 23.900 1.00 0.00 H ATOM 868 N PRO X 137 20.947 24.484 21.311 1.00 7.47 N ATOM 869 CA PRO X 137 20.971 23.081 20.893 1.00 7.58 C ATOM 870 C PRO X 137 21.070 22.166 22.108 1.00 7.06 C ATOM 871 O PRO X 137 21.738 22.502 23.091 1.00 8.43 O ATOM 872 CB PRO X 137 22.255 22.980 20.060 1.00 8.58 C ATOM 873 CG PRO X 137 22.570 24.381 19.651 1.00 8.86 C ATOM 874 CD PRO X 137 22.058 25.265 20.744 1.00 7.53 C ATOM 875 N GLY X 138 20.399 21.024 22.041 1.00 6.41 N ATOM 876 CA GLY X 138 20.493 20.026 23.089 1.00 6.12 C ATOM 877 C GLY X 138 19.388 20.092 24.122 1.00 5.33 C ATOM 878 O GLY X 138 19.262 19.195 24.950 1.00 5.18 O ATOM 879 H GLY X 138 19.791 20.840 21.218 1.00 0.00 H ATOM 880 N VAL X 139 18.586 21.152 24.085 1.00 5.47 N ATOM 881 CA VAL X 139 17.482 21.289 25.033 1.00 5.19 C ATOM 882 C VAL X 139 16.410 20.229 24.779 1.00 5.37 C ATOM 883 O VAL X 139 16.047 19.976 23.628 1.00 5.83 O ATOM 884 CB VAL X 139 16.858 22.701 24.963 1.00 6.12 C ATOM 885 CG1 VAL X 139 15.506 22.736 25.667 1.00 6.61 C ATOM 886 CG2 VAL X 139 17.812 23.741 25.553 1.00 6.66 C ATOM 887 H VAL X 139 18.746 21.893 23.373 1.00 0.00 H ATOM 888 N LEU X 140 15.931 19.608 25.858 1.00 4.84 N ATOM 889 CA LEU X 140 14.900 18.565 25.810 1.00 4.43 C ATOM 890 C LEU X 140 13.598 19.153 26.340 1.00 4.70 C ATOM 891 O LEU X 140 13.565 19.695 27.448 1.00 5.04 O ATOM 892 CB LEU X 140 15.331 17.373 26.666 1.00 5.15 C ATOM 893 CG LEU X 140 14.339 16.221 26.846 1.00 4.89 C ATOM 894 CD1 LEU X 140 14.102 15.474 25.541 1.00 6.02 C ATOM 895 CD2 LEU X 140 14.833 15.261 27.918 1.00 6.00 C ATOM 896 H LEU X 140 16.310 19.879 26.788 1.00 0.00 H ATOM 897 N SER X 141 12.529 19.055 25.552 1.00 5.02 N ATOM 898 CA SER X 141 11.294 19.782 25.840 1.00 4.65 C ATOM 899 C SER X 141 10.075 18.964 25.409 1.00 4.89 C ATOM 900 O SER X 141 10.190 18.093 24.547 1.00 5.32 O ATOM 901 CB SER X 141 11.343 21.143 25.131 1.00 5.36 C ATOM 902 OG SER X 141 10.204 21.937 25.414 1.00 5.99 O ATOM 903 HG SER X 141 10.279 22.801 24.937 1.00 0.00 H ATOM 904 H SER X 141 12.574 18.446 24.710 1.00 0.00 H ATOM 905 N MET X 142 8.920 19.215 26.025 1.00 4.47 N ATOM 906 CA MET X 142 7.713 18.442 25.718 1.00 4.92 C ATOM 907 C MET X 142 6.965 18.998 24.513 1.00 4.20 C ATOM 908 O MET X 142 6.684 20.197 24.444 1.00 4.82 O ATOM 909 CB MET X 142 6.761 18.396 26.926 1.00 5.52 C ATOM 910 CG MET X 142 7.266 17.584 28.117 1.00 5.80 C ATOM 911 SD MET X 142 7.594 15.839 27.739 1.00 5.90 S ATOM 912 CE MET X 142 5.933 15.176 27.592 1.00 6.50 C ATOM 913 H MET X 142 8.874 19.973 26.736 1.00 0.00 H ATOM 914 N ALA X 143 6.644 18.124 23.564 1.00 4.74 N ATOM 915 CA ALA X 143 5.745 18.499 22.482 1.00 5.00 C ATOM 916 C ALA X 143 4.344 18.678 23.062 1.00 5.07 C ATOM 917 O ALA X 143 4.031 18.148 24.131 1.00 5.46 O ATOM 918 CB ALA X 143 5.740 17.434 21.388 1.00 5.31 C ATOM 919 H ALA X 143 7.039 17.163 23.595 1.00 0.00 H ATOM 920 N ASN X 144 3.495 19.436 22.384 1.00 4.82 N ATOM 921 CA ASN X 144 2.130 19.558 22.868 1.00 5.78 C ATOM 922 C ASN X 144 1.169 19.989 21.785 1.00 6.86 C ATOM 923 O ASN X 144 1.584 20.327 20.669 1.00 6.75 O ATOM 924 CB ASN X 144 2.053 20.462 24.117 1.00 5.73 C ATOM 925 CG ASN X 144 2.325 21.936 23.818 1.00 5.78 C ATOM 926 OD1 ASN X 144 1.752 22.515 22.890 1.00 7.13 O ATOM 927 ND2 ASN X 144 3.181 22.556 24.627 1.00 5.61 N ATOM 928 HD22 ASN X 144 3.642 22.031 25.397 1.00 0.00 H ATOM 929 HD21 ASN X 144 3.389 23.566 24.489 1.00 0.00 H ATOM 930 H ASN X 144 3.799 19.934 21.523 1.00 0.00 H ATOM 931 N ALA X 145 -0.117 19.952 22.117 1.00 6.95 N ATOM 932 CA ALA X 145 -1.172 20.401 21.218 1.00 7.78 C ATOM 933 C ALA X 145 -1.898 21.582 21.852 1.00 8.02 C ATOM 934 O ALA X 145 -3.123 21.700 21.756 1.00 9.17 O ATOM 935 CB ALA X 145 -2.144 19.256 20.924 1.00 9.11 C ATOM 936 H ALA X 145 -0.381 19.588 23.055 1.00 0.00 H ATOM 937 N GLY X 146 -1.124 22.455 22.494 1.00 7.84 N ATOM 938 CA GLY X 146 -1.663 23.588 23.224 1.00 7.53 C ATOM 939 C GLY X 146 -1.399 23.454 24.713 1.00 7.09 C ATOM 940 O GLY X 146 -0.771 22.487 25.154 1.00 6.34 O ATOM 941 H GLY X 146 -0.093 22.320 22.471 1.00 0.00 H ATOM 942 N PRO X 147 -1.869 24.428 25.503 1.00 6.89 N ATOM 943 CA PRO X 147 -1.616 24.370 26.947 1.00 7.13 C ATOM 944 C PRO X 147 -2.076 23.062 27.588 1.00 6.58 C ATOM 945 O PRO X 147 -3.140 22.531 27.252 1.00 6.84 O ATOM 946 CB PRO X 147 -2.434 25.550 27.488 1.00 7.30 C ATOM 947 CG PRO X 147 -2.452 26.532 26.347 1.00 8.54 C ATOM 948 CD PRO X 147 -2.539 25.680 25.100 1.00 7.82 C ATOM 949 N ASN X 148 -1.247 22.540 28.483 1.00 5.97 N ATOM 950 CA ASN X 148 -1.623 21.410 29.328 1.00 6.11 C ATOM 951 C ASN X 148 -2.011 20.157 28.563 1.00 6.04 C ATOM 952 O ASN X 148 -2.991 19.495 28.904 1.00 5.84 O ATOM 953 CB ASN X 148 -2.761 21.820 30.266 1.00 6.26 C ATOM 954 CG ASN X 148 -2.406 23.032 31.095 1.00 6.54 C ATOM 955 OD1 ASN X 148 -1.398 23.032 31.808 1.00 7.09 O ATOM 956 ND2 ASN X 148 -3.205 24.085 30.983 1.00 6.52 N ATOM 957 HD22 ASN X 148 -4.044 24.038 30.370 1.00 0.00 H ATOM 958 HD21 ASN X 148 -2.993 24.957 31.508 1.00 0.00 H ATOM 959 H ASN X 148 -0.297 22.950 28.586 1.00 0.00 H ATOM 960 N THR X 149 -1.235 19.830 27.533 1.00 5.11 N ATOM 961 CA THR X 149 -1.489 18.635 26.731 1.00 5.85 C ATOM 962 C THR X 149 -0.233 17.793 26.573 1.00 5.89 C ATOM 963 O THR X 149 -0.023 17.153 25.542 1.00 7.02 O ATOM 964 CB THR X 149 -2.078 18.977 25.340 1.00 5.89 C ATOM 965 OG1 THR X 149 -1.192 19.857 24.632 1.00 5.70 O ATOM 966 CG2 THR X 149 -3.445 19.635 25.484 1.00 6.02 C ATOM 967 HG1 THR X 149 -1.075 20.692 25.150 1.00 0.00 H ATOM 968 H THR X 149 -0.428 20.440 27.293 1.00 0.00 H ATOM 969 N ASN X 150 0.611 17.800 27.598 1.00 5.00 N ATOM 970 CA ASN X 150 1.786 16.937 27.604 1.00 4.95 C ATOM 971 C ASN X 150 1.375 15.483 27.680 1.00 4.96 C ATOM 972 O ASN X 150 0.480 15.129 28.439 1.00 5.78 O ATOM 973 CB ASN X 150 2.681 17.274 28.791 1.00 4.72 C ATOM 974 CG ASN X 150 3.049 18.731 28.814 1.00 4.87 C ATOM 975 OD1 ASN X 150 3.891 19.172 28.030 1.00 5.44 O ATOM 976 ND2 ASN X 150 2.399 19.498 29.682 1.00 5.94 N ATOM 977 HD22 ASN X 150 1.697 19.077 30.323 1.00 0.00 H ATOM 978 HD21 ASN X 150 2.592 20.519 29.720 1.00 0.00 H ATOM 979 H ASN X 150 0.432 18.429 28.407 1.00 0.00 H ATOM 980 N GLY X 151 2.025 14.640 26.891 1.00 5.70 N ATOM 981 CA GLY X 151 1.753 13.216 26.917 1.00 4.85 C ATOM 982 C GLY X 151 3.068 12.478 27.017 1.00 4.97 C ATOM 983 O GLY X 151 3.655 12.369 28.099 1.00 5.85 O ATOM 984 H GLY X 151 2.746 15.008 26.238 1.00 0.00 H ATOM 985 N SER X 152 3.543 11.993 25.874 1.00 5.11 N ATOM 986 CA SER X 152 4.852 11.373 25.792 1.00 5.10 C ATOM 987 C SER X 152 5.720 12.015 24.720 1.00 4.90 C ATOM 988 O SER X 152 6.939 11.898 24.767 1.00 4.96 O ATOM 989 CB SER X 152 4.733 9.866 25.532 1.00 5.73 C ATOM 990 OG SER X 152 4.029 9.612 24.334 1.00 6.71 O ATOM 991 HG SER X 152 4.510 10.028 23.575 1.00 0.00 H ATOM 992 H SER X 152 2.960 12.060 25.015 1.00 0.00 H ATOM 993 N GLN X 153 5.117 12.690 23.747 1.00 4.72 N ATOM 994 CA GLN X 153 5.935 13.284 22.692 1.00 4.87 C ATOM 995 C GLN X 153 6.871 14.358 23.215 1.00 5.14 C ATOM 996 O GLN X 153 6.514 15.153 24.086 1.00 5.46 O ATOM 997 CB GLN X 153 5.075 13.835 21.559 1.00 5.08 C ATOM 998 CG GLN X 153 4.417 12.762 20.721 1.00 5.67 C ATOM 999 CD GLN X 153 3.716 13.349 19.518 1.00 6.16 C ATOM 1000 OE1 GLN X 153 4.305 14.124 18.765 1.00 6.28 O ATOM 1001 NE2 GLN X 153 2.442 13.004 19.343 1.00 6.12 N ATOM 1002 HE22 GLN X 153 1.986 12.345 20.006 1.00 0.00 H ATOM 1003 HE21 GLN X 153 1.903 13.393 18.543 1.00 0.00 H ATOM 1004 H GLN X 153 4.082 12.794 23.737 1.00 0.00 H ATOM 1005 N PHE X 154 8.076 14.369 22.661 1.00 4.83 N ATOM 1006 CA PHE X 154 9.127 15.269 23.120 1.00 4.38 C ATOM 1007 C PHE X 154 9.970 15.701 21.942 1.00 4.63 C ATOM 1008 O PHE X 154 9.875 15.132 20.859 1.00 5.45 O ATOM 1009 CB PHE X 154 10.009 14.572 24.170 1.00 4.96 C ATOM 1010 CG PHE X 154 10.802 13.406 23.629 1.00 4.53 C ATOM 1011 CD1 PHE X 154 12.103 13.585 23.178 1.00 5.08 C ATOM 1012 CD2 PHE X 154 10.256 12.126 23.596 1.00 5.32 C ATOM 1013 CE1 PHE X 154 12.840 12.523 22.690 1.00 5.76 C ATOM 1014 CE2 PHE X 154 10.994 11.054 23.108 1.00 5.55 C ATOM 1015 CZ PHE X 154 12.288 11.255 22.653 1.00 5.85 C ATOM 1016 H PHE X 154 8.277 13.717 21.876 1.00 0.00 H ATOM 1017 N PHE X 155 10.800 16.714 22.148 1.00 3.98 N ATOM 1018 CA PHE X 155 11.748 17.100 21.111 1.00 4.85 C ATOM 1019 C PHE X 155 13.089 17.478 21.692 1.00 5.17 C ATOM 1020 O PHE X 155 13.188 17.867 22.858 1.00 5.56 O ATOM 1021 CB PHE X 155 11.191 18.196 20.180 1.00 4.73 C ATOM 1022 CG PHE X 155 10.810 19.487 20.878 1.00 4.79 C ATOM 1023 CD1 PHE X 155 9.620 19.590 21.581 1.00 5.13 C ATOM 1024 CD2 PHE X 155 11.621 20.617 20.773 1.00 5.64 C ATOM 1025 CE1 PHE X 155 9.254 20.783 22.192 1.00 5.07 C ATOM 1026 CE2 PHE X 155 11.263 21.816 21.378 1.00 6.11 C ATOM 1027 CZ PHE X 155 10.079 21.904 22.088 1.00 5.68 C ATOM 1028 H PHE X 155 10.775 17.233 23.049 1.00 0.00 H ATOM 1029 N ILE X 156 14.120 17.319 20.874 1.00 5.02 N ATOM 1030 CA ILE X 156 15.458 17.781 21.215 1.00 5.28 C ATOM 1031 C ILE X 156 15.818 18.891 20.240 1.00 5.46 C ATOM 1032 O ILE X 156 15.797 18.697 19.024 1.00 5.99 O ATOM 1033 CB ILE X 156 16.501 16.650 21.130 1.00 6.02 C ATOM 1034 CG1 ILE X 156 16.126 15.506 22.085 1.00 6.19 C ATOM 1035 CG2 ILE X 156 17.890 17.205 21.439 1.00 6.74 C ATOM 1036 CD1 ILE X 156 16.922 14.239 21.870 1.00 7.42 C ATOM 1037 H ILE X 156 13.968 16.849 19.959 1.00 0.00 H ATOM 1038 N CYS X 157 16.131 20.066 20.772 1.00 6.12 N ATOM 1039 CA CYS X 157 16.447 21.225 19.938 1.00 6.73 C ATOM 1040 C CYS X 157 17.815 21.127 19.278 1.00 7.08 C ATOM 1041 O CYS X 157 18.751 20.572 19.853 1.00 7.67 O ATOM 1042 CB CYS X 157 16.401 22.492 20.782 1.00 7.18 C ATOM 1043 SG CYS X 157 14.789 22.764 21.518 1.00 7.60 S ATOM 1044 H CYS X 157 16.152 20.165 21.807 1.00 0.00 H ATOM 1045 N THR X 158 17.928 21.686 18.076 1.00 7.21 N ATOM 1046 CA THR X 158 19.223 21.782 17.405 1.00 7.71 C ATOM 1047 C THR X 158 19.659 23.237 17.226 1.00 8.60 C ATOM 1048 O THR X 158 20.704 23.527 16.631 1.00 10.01 O ATOM 1049 CB THR X 158 19.236 21.045 16.052 1.00 8.80 C ATOM 1050 OG1 THR X 158 18.210 21.583 15.211 1.00 8.95 O ATOM 1051 CG2 THR X 158 18.995 19.542 16.248 1.00 9.18 C ATOM 1052 HG1 THR X 158 18.217 21.111 14.341 1.00 0.00 H ATOM 1053 H THR X 158 17.080 22.061 17.605 1.00 0.00 H ATOM 1054 N ILE X 159 18.831 24.147 17.731 1.00 9.18 N ATOM 1055 CA ILE X 159 19.184 25.570 17.801 1.00 9.69 C ATOM 1056 C ILE X 159 18.440 26.145 18.989 1.00 8.88 C ATOM 1057 O ILE X 159 17.666 25.442 19.650 1.00 9.08 O ATOM 1058 CB ILE X 159 18.720 26.406 16.584 1.00 11.60 C ATOM 1059 CG1 ILE X 159 17.208 26.529 16.610 1.00 13.04 C ATOM 1060 CG2 ILE X 159 19.273 25.857 15.238 1.00 11.76 C ATOM 1061 CD1 ILE X 159 16.628 25.594 15.914 1.00 14.49 C ATOM 1062 H ILE X 159 17.903 23.840 18.088 1.00 0.00 H ATOM 1063 N LYS X 160 18.686 27.421 19.294 1.00 8.84 N ATOM 1064 CA LYS X 160 17.915 28.102 20.323 1.00 9.16 C ATOM 1065 C LYS X 160 16.503 28.341 19.793 1.00 9.24 C ATOM 1066 O LYS X 160 16.317 29.090 18.837 1.00 10.77 O ATOM 1067 CB LYS X 160 18.580 29.430 20.676 1.00 10.42 C ATOM 1068 CG LYS X 160 17.828 30.275 21.686 1.00 11.23 C ATOM 1069 CD LYS X 160 18.686 31.447 22.106 1.00 12.51 C ATOM 1070 CE LYS X 160 17.881 32.676 22.489 1.00 12.03 C ATOM 1071 NZ LYS X 160 18.721 33.917 22.387 1.00 11.76 N ATOM 1072 HZ1 LYS X 160 19.536 33.836 23.028 1.00 0.00 H ATOM 1073 HZ2 LYS X 160 19.057 34.027 21.409 1.00 0.00 H ATOM 1074 HZ3 LYS X 160 18.149 34.744 22.654 1.00 0.00 H ATOM 1075 H LYS X 160 19.437 27.934 18.790 1.00 0.00 H ATOM 1076 N THR X 161 15.510 27.697 20.396 1.00 8.79 N ATOM 1077 CA THR X 161 14.128 27.862 19.946 1.00 8.77 C ATOM 1078 C THR X 161 13.355 28.745 20.926 1.00 8.31 C ATOM 1079 O THR X 161 12.397 28.299 21.571 1.00 8.13 O ATOM 1080 CB THR X 161 13.416 26.504 19.779 1.00 8.36 C ATOM 1081 OG1 THR X 161 13.378 25.821 21.033 1.00 7.79 O ATOM 1082 CG2 THR X 161 14.139 25.623 18.771 1.00 8.42 C ATOM 1083 HG1 THR X 161 12.885 26.371 21.692 1.00 0.00 H ATOM 1084 H THR X 161 15.718 27.068 21.198 1.00 0.00 H ATOM 1085 N ASP X 162 13.771 30.003 21.035 1.00 8.82 N ATOM 1086 CA ASP X 162 13.246 30.878 22.081 1.00 9.51 C ATOM 1087 C ASP X 162 11.753 31.163 21.961 1.00 9.21 C ATOM 1088 O ASP X 162 11.094 31.453 22.958 1.00 9.10 O ATOM 1089 CB ASP X 162 14.073 32.171 22.211 1.00 10.29 C ATOM 1090 CG ASP X 162 14.110 32.992 20.935 1.00 12.34 C ATOM 1091 OD1 ASP X 162 14.402 34.204 21.031 1.00 14.34 O ATOM 1092 OD2 ASP X 162 13.875 32.440 19.840 1.00 12.53 O ATOM 1093 H ASP X 162 14.479 30.369 20.367 1.00 0.00 H ATOM 1094 N TRP X 163 11.214 31.040 20.751 1.00 8.79 N ATOM 1095 CA TRP X 163 9.795 31.297 20.532 1.00 7.89 C ATOM 1096 C TRP X 163 8.898 30.264 21.207 1.00 7.64 C ATOM 1097 O TRP X 163 7.690 30.468 21.319 1.00 8.60 O ATOM 1098 CB TRP X 163 9.475 31.420 19.034 1.00 8.47 C ATOM 1099 CG TRP X 163 9.684 30.169 18.206 1.00 8.94 C ATOM 1100 CD1 TRP X 163 8.729 29.263 17.832 1.00 9.93 C ATOM 1101 CD2 TRP X 163 10.913 29.707 17.611 1.00 10.11 C ATOM 1102 NE1 TRP X 163 9.287 28.268 17.064 1.00 10.25 N ATOM 1103 CE2 TRP X 163 10.626 28.523 16.912 1.00 9.99 C ATOM 1104 CE3 TRP X 163 12.225 30.197 17.615 1.00 11.32 C ATOM 1105 CZ2 TRP X 163 11.600 27.805 16.216 1.00 10.49 C ATOM 1106 CZ3 TRP X 163 13.198 29.481 16.918 1.00 11.29 C ATOM 1107 CH2 TRP X 163 12.880 28.299 16.234 1.00 11.58 C ATOM 1108 HE1 TRP X 163 8.777 27.455 16.664 1.00 0.00 H ATOM 1109 H TRP X 163 11.813 30.756 19.950 1.00 0.00 H ATOM 1110 N LEU X 164 9.493 29.171 21.675 1.00 6.42 N ATOM 1111 CA LEU X 164 8.736 28.139 22.381 1.00 6.50 C ATOM 1112 C LEU X 164 8.728 28.351 23.898 1.00 6.31 C ATOM 1113 O LEU X 164 8.033 27.634 24.619 1.00 6.23 O ATOM 1114 CB LEU X 164 9.257 26.742 22.026 1.00 6.38 C ATOM 1115 CG LEU X 164 9.236 26.416 20.528 1.00 7.03 C ATOM 1116 CD1 LEU X 164 9.743 25.002 20.268 1.00 7.98 C ATOM 1117 CD2 LEU X 164 7.839 26.598 19.944 1.00 7.00 C ATOM 1118 H LEU X 164 10.516 29.048 21.536 1.00 0.00 H ATOM 1119 N ASP X 165 9.487 29.336 24.377 1.00 5.73 N ATOM 1120 CA ASP X 165 9.503 29.647 25.804 1.00 5.57 C ATOM 1121 C ASP X 165 8.110 30.053 26.250 1.00 6.09 C ATOM 1122 O ASP X 165 7.463 30.873 25.602 1.00 6.60 O ATOM 1123 CB ASP X 165 10.475 30.792 26.112 1.00 6.00 C ATOM 1124 CG ASP X 165 11.929 30.385 25.980 1.00 6.85 C ATOM 1125 OD1 ASP X 165 12.203 29.174 25.841 1.00 7.05 O ATOM 1126 OD2 ASP X 165 12.799 31.283 26.039 1.00 8.12 O ATOM 1127 H ASP X 165 10.077 29.892 23.725 1.00 0.00 H ATOM 1128 N GLY X 166 7.650 29.481 27.355 1.00 6.54 N ATOM 1129 CA GLY X 166 6.329 29.796 27.871 1.00 6.87 C ATOM 1130 C GLY X 166 5.224 29.021 27.176 1.00 6.92 C ATOM 1131 O GLY X 166 4.048 29.177 27.518 1.00 7.33 O ATOM 1132 H GLY X 166 8.246 28.795 27.861 1.00 0.00 H ATOM 1133 N LYS X 167 5.598 28.186 26.204 1.00 6.45 N ATOM 1134 CA LYS X 167 4.625 27.378 25.474 1.00 6.64 C ATOM 1135 C LYS X 167 4.907 25.883 25.627 1.00 6.11 C ATOM 1136 O LYS X 167 3.969 25.085 25.772 1.00 7.41 O ATOM 1137 CB LYS X 167 4.589 27.769 23.993 1.00 8.15 C ATOM 1138 CG LYS X 167 4.032 29.163 23.763 1.00 9.53 C ATOM 1139 CD LYS X 167 3.786 29.474 22.289 1.00 11.45 C ATOM 1140 CE LYS X 167 3.074 30.815 22.133 1.00 11.86 C ATOM 1141 NZ LYS X 167 2.750 31.169 20.723 1.00 12.16 N ATOM 1142 HZ1 LYS X 167 3.629 31.221 20.169 1.00 0.00 H ATOM 1143 HZ2 LYS X 167 2.127 30.441 20.319 1.00 0.00 H ATOM 1144 HZ3 LYS X 167 2.269 32.091 20.700 1.00 0.00 H ATOM 1145 H LYS X 167 6.606 28.109 25.961 1.00 0.00 H ATOM 1146 N HIS X 168 6.185 25.509 25.606 1.00 5.50 N ATOM 1147 CA HIS X 168 6.566 24.109 25.805 1.00 5.55 C ATOM 1148 C HIS X 168 7.386 23.969 27.071 1.00 5.28 C ATOM 1149 O HIS X 168 8.227 24.821 27.372 1.00 5.84 O ATOM 1150 CB HIS X 168 7.339 23.594 24.592 1.00 5.26 C ATOM 1151 CG HIS X 168 6.515 23.571 23.345 1.00 5.72 C ATOM 1152 ND1 HIS X 168 5.955 22.417 22.842 1.00 5.74 N ATOM 1153 CD2 HIS X 168 6.115 24.577 22.526 1.00 6.13 C ATOM 1154 CE1 HIS X 168 5.262 22.707 21.756 1.00 5.89 C ATOM 1155 NE2 HIS X 168 5.335 24.008 21.545 1.00 6.68 N ATOM 1156 H HIS X 168 6.924 26.223 25.446 1.00 0.00 H ATOM 1157 N VAL X 169 7.123 22.910 27.828 1.00 4.50 N ATOM 1158 CA VAL X 169 7.829 22.684 29.081 1.00 3.95 C ATOM 1159 C VAL X 169 9.182 22.037 28.834 1.00 4.45 C ATOM 1160 O VAL X 169 9.267 20.888 28.400 1.00 4.57 O ATOM 1161 CB VAL X 169 7.007 21.808 30.056 1.00 4.66 C ATOM 1162 CG1 VAL X 169 7.828 21.515 31.314 1.00 5.03 C ATOM 1163 CG2 VAL X 169 5.675 22.479 30.399 1.00 4.96 C ATOM 1164 H VAL X 169 6.399 22.230 27.520 1.00 0.00 H ATOM 1165 N VAL X 170 10.237 22.798 29.101 1.00 4.52 N ATOM 1166 CA VAL X 170 11.605 22.293 29.038 1.00 4.13 C ATOM 1167 C VAL X 170 11.902 21.479 30.290 1.00 4.43 C ATOM 1168 O VAL X 170 11.571 21.896 31.401 1.00 5.51 O ATOM 1169 CB VAL X 170 12.617 23.453 28.911 1.00 4.46 C ATOM 1170 CG1 VAL X 170 14.041 22.918 28.942 1.00 5.40 C ATOM 1171 CG2 VAL X 170 12.365 24.224 27.626 1.00 5.58 C ATOM 1172 H VAL X 170 10.083 23.792 29.365 1.00 0.00 H ATOM 1173 N PHE X 171 12.515 20.312 30.122 1.00 3.92 N ATOM 1174 CA PHE X 171 12.733 19.439 31.275 1.00 4.00 C ATOM 1175 C PHE X 171 14.076 18.728 31.313 1.00 4.82 C ATOM 1176 O PHE X 171 14.295 17.875 32.167 1.00 5.41 O ATOM 1177 CB PHE X 171 11.580 18.439 31.437 1.00 4.42 C ATOM 1178 CG PHE X 171 11.466 17.439 30.318 1.00 4.15 C ATOM 1179 CD1 PHE X 171 10.868 17.783 29.111 1.00 4.65 C ATOM 1180 CD2 PHE X 171 11.933 16.140 30.481 1.00 4.20 C ATOM 1181 CE1 PHE X 171 10.757 16.851 28.086 1.00 4.60 C ATOM 1182 CE2 PHE X 171 11.818 15.205 29.462 1.00 4.46 C ATOM 1183 CZ PHE X 171 11.229 15.564 28.263 1.00 5.30 C ATOM 1184 H PHE X 171 12.838 20.021 29.177 1.00 0.00 H ATOM 1185 N GLY X 172 14.983 19.089 30.417 1.00 4.97 N ATOM 1186 CA GLY X 172 16.313 18.513 30.464 1.00 5.58 C ATOM 1187 C GLY X 172 17.179 18.911 29.295 1.00 5.46 C ATOM 1188 O GLY X 172 16.875 19.863 28.581 1.00 5.24 O ATOM 1189 H GLY X 172 14.742 19.784 29.682 1.00 0.00 H ATOM 1190 N HIS X 173 18.274 18.183 29.108 1.00 4.41 N ATOM 1191 CA HIS X 173 19.190 18.469 28.017 1.00 4.89 C ATOM 1192 C HIS X 173 20.115 17.297 27.735 1.00 5.10 C ATOM 1193 O HIS X 173 20.248 16.373 28.550 1.00 5.41 O ATOM 1194 CB HIS X 173 19.999 19.746 28.291 1.00 5.81 C ATOM 1195 CG HIS X 173 21.023 19.597 29.371 1.00 7.03 C ATOM 1196 ND1 HIS X 173 20.737 19.806 30.704 1.00 7.64 N ATOM 1197 CD2 HIS X 173 22.335 19.254 29.316 1.00 6.88 C ATOM 1198 CE1 HIS X 173 21.830 19.598 31.424 1.00 8.42 C ATOM 1199 NE2 HIS X 173 22.806 19.258 30.604 1.00 8.25 N ATOM 1200 H HIS X 173 18.479 17.394 29.754 1.00 0.00 H ATOM 1201 N VAL X 174 20.744 17.355 26.567 1.00 5.15 N ATOM 1202 CA VAL X 174 21.684 16.335 26.111 1.00 5.13 C ATOM 1203 C VAL X 174 23.009 16.435 26.856 1.00 5.45 C ATOM 1204 O VAL X 174 23.691 17.464 26.806 1.00 5.65 O ATOM 1205 CB VAL X 174 21.938 16.453 24.577 1.00 5.88 C ATOM 1206 CG1 VAL X 174 23.023 15.479 24.118 1.00 5.91 C ATOM 1207 CG2 VAL X 174 20.654 16.219 23.796 1.00 5.62 C ATOM 1208 H VAL X 174 20.558 18.168 25.946 1.00 0.00 H ATOM 1209 N ILE X 175 23.361 15.350 27.539 1.00 5.38 N ATOM 1210 CA ILE X 175 24.609 15.222 28.288 1.00 5.24 C ATOM 1211 C ILE X 175 25.719 14.694 27.379 1.00 5.73 C ATOM 1212 O ILE X 175 26.876 15.116 27.467 1.00 5.81 O ATOM 1213 CB ILE X 175 24.402 14.231 29.454 1.00 5.52 C ATOM 1214 CG1 ILE X 175 23.502 14.854 30.525 1.00 5.91 C ATOM 1215 CG2 ILE X 175 25.733 13.787 30.054 1.00 5.91 C ATOM 1216 CD1 ILE X 175 24.176 15.949 31.334 1.00 6.15 C ATOM 1217 H ILE X 175 22.707 14.541 27.540 1.00 0.00 H ATOM 1218 N GLU X 176 25.337 13.769 26.505 1.00 6.14 N ATOM 1219 CA GLU X 176 26.250 13.098 25.597 1.00 5.81 C ATOM 1220 C GLU X 176 25.459 12.699 24.365 1.00 5.32 C ATOM 1221 O GLU X 176 24.275 12.374 24.460 1.00 4.99 O ATOM 1222 CB GLU X 176 26.792 11.841 26.273 1.00 6.14 C ATOM 1223 CG GLU X 176 27.808 11.063 25.494 1.00 6.38 C ATOM 1224 CD GLU X 176 28.057 9.707 26.125 1.00 5.28 C ATOM 1225 OE1 GLU X 176 28.375 9.652 27.335 1.00 4.75 O ATOM 1226 OE2 GLU X 176 27.906 8.698 25.412 1.00 5.21 O ATOM 1227 H GLU X 176 24.330 13.512 26.469 1.00 0.00 H ATOM 1228 N GLY X 177 26.098 12.727 23.204 1.00 5.89 N ATOM 1229 CA GLY X 177 25.451 12.241 22.003 1.00 5.97 C ATOM 1230 C GLY X 177 24.855 13.298 21.092 1.00 6.00 C ATOM 1231 O GLY X 177 23.990 12.990 20.271 1.00 6.29 O ATOM 1232 H GLY X 177 27.068 13.099 23.155 1.00 0.00 H ATOM 1233 N MET X 178 25.308 14.542 21.209 1.00 5.79 N ATOM 1234 CA MET X 178 24.866 15.547 20.241 1.00 6.52 C ATOM 1235 C MET X 178 25.238 15.149 18.808 1.00 6.48 C ATOM 1236 O MET X 178 24.560 15.540 17.861 1.00 7.34 O ATOM 1237 CB MET X 178 25.400 16.937 20.594 1.00 7.37 C ATOM 1238 CG MET X 178 24.616 18.059 19.933 1.00 8.00 C ATOM 1239 SD MET X 178 22.872 18.119 20.408 1.00 9.31 S ATOM 1240 CE MET X 178 22.215 19.146 19.095 1.00 9.13 C ATOM 1241 H MET X 178 25.965 14.797 21.974 1.00 0.00 H ATOM 1242 N ASP X 179 26.292 14.346 18.642 1.00 6.01 N ATOM 1243 CA ASP X 179 26.630 13.853 17.307 1.00 6.48 C ATOM 1244 C ASP X 179 25.490 13.012 16.740 1.00 6.56 C ATOM 1245 O ASP X 179 25.196 13.069 15.544 1.00 7.34 O ATOM 1246 CB ASP X 179 27.939 13.046 17.307 1.00 7.17 C ATOM 1247 CG ASP X 179 27.875 11.794 18.177 1.00 7.97 C ATOM 1248 OD1 ASP X 179 27.536 11.897 19.370 1.00 8.74 O ATOM 1249 OD2 ASP X 179 28.173 10.689 17.661 1.00 9.44 O ATOM 1250 H ASP X 179 26.872 14.072 19.461 1.00 0.00 H ATOM 1251 N VAL X 180 24.843 12.238 17.603 1.00 5.80 N ATOM 1252 CA VAL X 180 23.703 11.430 17.191 1.00 6.48 C ATOM 1253 C VAL X 180 22.536 12.337 16.814 1.00 6.77 C ATOM 1254 O VAL X 180 21.872 12.127 15.797 1.00 7.11 O ATOM 1255 CB VAL X 180 23.280 10.456 18.311 1.00 6.80 C ATOM 1256 CG1 VAL X 180 22.032 9.663 17.898 1.00 7.33 C ATOM 1257 CG2 VAL X 180 24.440 9.527 18.686 1.00 8.37 C ATOM 1258 H VAL X 180 25.157 12.208 18.594 1.00 0.00 H ATOM 1259 N VAL X 181 22.301 13.353 17.634 1.00 7.12 N ATOM 1260 CA VAL X 181 21.257 14.330 17.345 1.00 7.26 C ATOM 1261 C VAL X 181 21.510 15.035 16.006 1.00 7.30 C ATOM 1262 O VAL X 181 20.579 15.245 15.227 1.00 7.73 O ATOM 1263 CB VAL X 181 21.114 15.360 18.494 1.00 7.38 C ATOM 1264 CG1 VAL X 181 20.069 16.410 18.146 1.00 8.38 C ATOM 1265 CG2 VAL X 181 20.757 14.659 19.810 1.00 6.38 C ATOM 1266 H VAL X 181 22.871 13.455 18.498 1.00 0.00 H ATOM 1267 N LYS X 182 22.766 15.382 15.723 1.00 6.82 N ATOM 1268 CA LYS X 182 23.071 16.026 14.444 1.00 7.67 C ATOM 1269 C LYS X 182 22.821 15.073 13.268 1.00 8.23 C ATOM 1270 O LYS X 182 22.356 15.496 12.207 1.00 8.68 O ATOM 1271 CB LYS X 182 24.507 16.586 14.402 1.00 8.52 C ATOM 1272 CG LYS X 182 24.802 17.704 15.413 1.00 9.65 C ATOM 1273 CD LYS X 182 23.909 18.935 15.230 1.00 9.67 C ATOM 1274 CE LYS X 182 24.398 19.834 14.092 1.00 9.72 C ATOM 1275 NZ LYS X 182 23.472 20.994 13.867 1.00 9.88 N ATOM 1276 HZ1 LYS X 182 22.526 20.638 13.622 1.00 0.00 H ATOM 1277 HZ2 LYS X 182 23.415 21.564 14.735 1.00 0.00 H ATOM 1278 HZ3 LYS X 182 23.836 21.580 13.089 1.00 0.00 H ATOM 1279 H LYS X 182 23.526 15.196 16.408 1.00 0.00 H ATOM 1280 N LYS X 183 23.120 13.789 13.452 1.00 8.23 N ATOM 1281 CA LYS X 183 22.800 12.803 12.423 1.00 9.04 C ATOM 1282 C LYS X 183 21.302 12.753 12.186 1.00 8.88 C ATOM 1283 O LYS X 183 20.850 12.833 11.043 1.00 9.58 O ATOM 1284 CB LYS X 183 23.323 11.407 12.782 1.00 10.90 C ATOM 1285 CG LYS X 183 24.837 11.240 12.690 1.00 12.55 C ATOM 1286 CD LYS X 183 25.357 11.414 11.267 1.00 13.67 C ATOM 1287 CE LYS X 183 24.774 10.380 10.317 1.00 14.37 C ATOM 1288 NZ LYS X 183 25.432 10.439 8.975 1.00 14.96 N ATOM 1289 HZ1 LYS X 183 25.291 11.383 8.562 1.00 0.00 H ATOM 1290 HZ2 LYS X 183 26.450 10.254 9.081 1.00 0.00 H ATOM 1291 HZ3 LYS X 183 25.011 9.721 8.352 1.00 0.00 H ATOM 1292 H LYS X 183 23.584 13.486 14.332 1.00 0.00 H ATOM 1293 N ILE X 184 20.528 12.625 13.260 1.00 7.61 N ATOM 1294 CA ILE X 184 19.073 12.603 13.127 1.00 8.22 C ATOM 1295 C ILE X 184 18.585 13.841 12.387 1.00 8.49 C ATOM 1296 O ILE X 184 17.796 13.740 11.443 1.00 8.94 O ATOM 1297 CB ILE X 184 18.395 12.512 14.502 1.00 8.44 C ATOM 1298 CG1 ILE X 184 18.742 11.176 15.159 1.00 9.15 C ATOM 1299 CG2 ILE X 184 16.875 12.670 14.375 1.00 8.27 C ATOM 1300 CD1 ILE X 184 18.340 11.085 16.637 1.00 9.85 C ATOM 1301 H ILE X 184 20.962 12.540 14.201 1.00 0.00 H ATOM 1302 N GLU X 185 19.088 15.000 12.798 1.00 8.25 N ATOM 1303 CA GLU X 185 18.738 16.270 12.164 1.00 8.93 C ATOM 1304 C GLU X 185 18.970 16.238 10.656 1.00 10.08 C ATOM 1305 O GLU X 185 18.131 16.699 9.875 1.00 10.71 O ATOM 1306 CB GLU X 185 19.537 17.413 12.794 1.00 9.21 C ATOM 1307 CG GLU X 185 19.187 18.787 12.220 1.00 10.13 C ATOM 1308 CD GLU X 185 20.083 19.897 12.749 1.00 10.23 C ATOM 1309 OE1 GLU X 185 21.248 19.615 13.092 1.00 11.09 O ATOM 1310 OE2 GLU X 185 19.621 21.058 12.831 1.00 9.82 O ATOM 1311 H GLU X 185 19.753 15.004 13.598 1.00 0.00 H ATOM 1312 N SER X 186 20.097 15.664 10.249 1.00 10.59 N ATOM 1313 CA SER X 186 20.453 15.597 8.835 1.00 11.86 C ATOM 1314 C SER X 186 19.497 14.716 8.032 1.00 12.18 C ATOM 1315 O SER X 186 19.475 14.779 6.802 1.00 12.54 O ATOM 1316 CB SER X 186 21.897 15.106 8.662 1.00 12.36 C ATOM 1317 OG SER X 186 21.991 13.695 8.776 1.00 12.47 O ATOM 1318 HG SER X 186 21.672 13.415 9.671 1.00 0.00 H ATOM 1319 H SER X 186 20.741 15.253 10.955 1.00 0.00 H ATOM 1320 N PHE X 187 18.713 13.893 8.723 1.00 12.17 N ATOM 1321 CA PHE X 187 17.740 13.034 8.050 1.00 12.70 C ATOM 1322 C PHE X 187 16.354 13.674 8.014 1.00 13.27 C ATOM 1323 O PHE X 187 15.377 13.030 7.641 1.00 14.15 O ATOM 1324 CB PHE X 187 17.644 11.664 8.725 1.00 12.69 C ATOM 1325 CG PHE X 187 18.966 10.975 8.913 1.00 12.71 C ATOM 1326 CD1 PHE X 187 19.978 11.090 7.977 1.00 13.01 C ATOM 1327 CD2 PHE X 187 19.192 10.209 10.041 1.00 12.82 C ATOM 1328 CE1 PHE X 187 21.193 10.454 8.177 1.00 13.12 C ATOM 1329 CE2 PHE X 187 20.390 9.567 10.239 1.00 13.27 C ATOM 1330 CZ PHE X 187 21.391 9.682 9.305 1.00 13.32 C ATOM 1331 H PHE X 187 18.794 13.860 9.759 1.00 0.00 H ATOM 1332 N GLY X 188 16.262 14.937 8.407 1.00 13.17 N ATOM 1333 CA GLY X 188 14.987 15.628 8.372 1.00 13.75 C ATOM 1334 C GLY X 188 14.778 16.371 7.072 1.00 14.51 C ATOM 1335 O GLY X 188 15.480 16.150 6.085 1.00 16.13 O ATOM 1336 H GLY X 188 17.110 15.436 8.743 1.00 0.00 H ATOM 1337 N SER X 189 13.804 17.269 7.078 1.00 14.39 N ATOM 1338 CA SER X 189 13.484 18.063 5.908 1.00 14.92 C ATOM 1339 C SER X 189 12.654 19.233 6.376 1.00 14.56 C ATOM 1340 O SER X 189 12.216 19.274 7.525 1.00 13.75 O ATOM 1341 CB SER X 189 12.706 17.234 4.885 1.00 15.24 C ATOM 1342 OG SER X 189 11.396 16.949 5.345 1.00 15.18 O ATOM 1343 HG SER X 189 11.449 16.438 6.192 1.00 0.00 H ATOM 1344 H SER X 189 13.252 17.409 7.948 1.00 0.00 H ATOM 1345 N LYS X 190 12.433 20.182 5.485 1.00 15.33 N ATOM 1346 CA LYS X 190 11.692 21.371 5.857 1.00 15.40 C ATOM 1347 C LYS X 190 10.295 21.046 6.364 1.00 15.77 C ATOM 1348 O LYS X 190 9.829 21.653 7.329 1.00 16.38 O ATOM 1349 CB LYS X 190 11.629 22.357 4.694 1.00 16.00 C ATOM 1350 CG LYS X 190 12.270 23.674 5.029 1.00 16.22 C ATOM 1351 CD LYS X 190 11.672 24.226 6.303 1.00 15.74 C ATOM 1352 CE LYS X 190 11.348 25.687 6.143 1.00 15.36 C ATOM 1353 NZ LYS X 190 9.906 25.942 6.395 1.00 15.22 N ATOM 1354 HZ1 LYS X 190 9.335 25.397 5.718 1.00 0.00 H ATOM 1355 HZ2 LYS X 190 9.668 25.651 7.365 1.00 0.00 H ATOM 1356 HZ3 LYS X 190 9.709 26.956 6.278 1.00 0.00 H ATOM 1357 H LYS X 190 12.791 20.076 4.514 1.00 0.00 H ATOM 1358 N SER X 191 9.628 20.094 5.730 1.00 15.10 N ATOM 1359 CA SER X 191 8.273 19.756 6.135 1.00 14.64 C ATOM 1360 C SER X 191 8.246 18.959 7.428 1.00 13.45 C ATOM 1361 O SER X 191 7.191 18.802 8.040 1.00 13.22 O ATOM 1362 CB SER X 191 7.589 18.940 5.049 1.00 15.33 C ATOM 1363 OG SER X 191 8.142 17.638 5.015 1.00 16.09 O ATOM 1364 HG SER X 191 9.111 17.697 4.822 1.00 0.00 H ATOM 1365 H SER X 191 10.075 19.586 4.940 1.00 0.00 H ATOM 1366 N GLY X 192 9.404 18.446 7.832 1.00 11.94 N ATOM 1367 CA GLY X 192 9.488 17.576 8.988 1.00 10.98 C ATOM 1368 C GLY X 192 9.525 16.107 8.611 1.00 10.56 C ATOM 1369 O GLY X 192 9.880 15.272 9.440 1.00 10.27 O ATOM 1370 H GLY X 192 10.271 18.675 7.305 1.00 0.00 H ATOM 1371 N ARG X 193 9.160 15.785 7.371 1.00 11.04 N ATOM 1372 CA ARG X 193 9.209 14.398 6.908 1.00 12.21 C ATOM 1373 C ARG X 193 10.638 13.870 6.960 1.00 12.82 C ATOM 1374 O ARG X 193 11.569 14.525 6.491 1.00 13.76 O ATOM 1375 CB ARG X 193 8.649 14.266 5.483 1.00 13.39 C ATOM 1376 CG ARG X 193 8.842 12.875 4.869 1.00 14.19 C ATOM 1377 CD ARG X 193 8.032 11.796 5.595 1.00 15.56 C ATOM 1378 NE ARG X 193 8.554 10.444 5.369 1.00 16.92 N ATOM 1379 CZ ARG X 193 7.910 9.478 4.717 1.00 17.89 C ATOM 1380 NH1 ARG X 193 6.702 9.696 4.216 1.00 18.52 N ATOM 1381 NH2 ARG X 193 8.476 8.287 4.574 1.00 18.13 N ATOM 1382 HE ARG X 193 9.498 10.223 5.746 1.00 0.00 H ATOM 1383 HH12 ARG X 193 6.205 8.937 3.708 1.00 0.00 H ATOM 1384 HH11 ARG X 193 6.251 10.626 4.331 1.00 0.00 H ATOM 1385 HH22 ARG X 193 7.975 7.531 4.065 1.00 0.00 H ATOM 1386 HH21 ARG X 193 9.421 8.109 4.971 1.00 0.00 H ATOM 1387 H ARG X 193 8.835 16.530 6.723 1.00 0.00 H ATOM 1388 N THR X 194 10.815 12.692 7.547 1.00 12.40 N ATOM 1389 CA THR X 194 12.145 12.104 7.658 1.00 12.84 C ATOM 1390 C THR X 194 12.495 11.309 6.406 1.00 13.76 C ATOM 1391 O THR X 194 11.616 10.731 5.757 1.00 14.89 O ATOM 1392 CB THR X 194 12.282 11.224 8.920 1.00 12.55 C ATOM 1393 OG1 THR X 194 11.302 10.176 8.895 1.00 12.45 O ATOM 1394 CG2 THR X 194 12.082 12.066 10.172 1.00 12.29 C ATOM 1395 HG1 THR X 194 10.396 10.574 8.871 1.00 0.00 H ATOM 1396 H THR X 194 9.995 12.182 7.933 1.00 0.00 H ATOM 1397 N SER X 195 13.782 11.290 6.068 1.00 13.86 N ATOM 1398 CA SER X 195 14.246 10.621 4.854 1.00 14.08 C ATOM 1399 C SER X 195 14.841 9.257 5.177 1.00 14.14 C ATOM 1400 O SER X 195 15.238 8.519 4.277 1.00 15.30 O ATOM 1401 CB SER X 195 15.260 11.490 4.105 1.00 13.99 C ATOM 1402 OG SER X 195 16.427 11.688 4.881 1.00 14.11 O ATOM 1403 HG SER X 195 17.066 12.251 4.376 1.00 0.00 H ATOM 1404 H SER X 195 14.475 11.763 6.683 1.00 0.00 H ATOM 1405 N LYS X 196 14.910 8.943 6.466 1.00 13.50 N ATOM 1406 CA LYS X 196 15.252 7.609 6.945 1.00 12.81 C ATOM 1407 C LYS X 196 14.286 7.251 8.072 1.00 12.77 C ATOM 1408 O LYS X 196 13.690 8.136 8.680 1.00 12.98 O ATOM 1409 CB LYS X 196 16.692 7.562 7.466 1.00 12.61 C ATOM 1410 CG LYS X 196 17.754 7.957 6.457 1.00 13.22 C ATOM 1411 CD LYS X 196 19.155 7.639 6.970 1.00 14.14 C ATOM 1412 CE LYS X 196 20.226 8.221 6.064 1.00 14.54 C ATOM 1413 NZ LYS X 196 20.379 7.523 4.769 1.00 14.54 N ATOM 1414 HZ1 LYS X 196 20.634 6.529 4.940 1.00 0.00 H ATOM 1415 HZ2 LYS X 196 19.482 7.567 4.245 1.00 0.00 H ATOM 1416 HZ3 LYS X 196 21.129 7.984 4.215 1.00 0.00 H ATOM 1417 H LYS X 196 14.710 9.685 7.167 1.00 0.00 H ATOM 1418 N LYS X 197 14.126 5.959 8.340 1.00 12.76 N ATOM 1419 CA LYS X 197 13.299 5.511 9.455 1.00 12.93 C ATOM 1420 C LYS X 197 14.128 5.531 10.722 1.00 11.86 C ATOM 1421 O LYS X 197 15.059 4.746 10.889 1.00 11.61 O ATOM 1422 CB LYS X 197 12.704 4.113 9.194 1.00 14.38 C ATOM 1423 CG LYS X 197 12.109 3.382 10.425 1.00 15.77 C ATOM 1424 CD LYS X 197 10.590 3.563 10.592 1.00 17.03 C ATOM 1425 CE LYS X 197 9.987 2.607 11.641 1.00 17.88 C ATOM 1426 NZ LYS X 197 10.085 1.159 11.280 1.00 18.47 N ATOM 1427 HZ1 LYS X 197 9.579 0.991 10.387 1.00 0.00 H ATOM 1428 HZ2 LYS X 197 11.085 0.898 11.168 1.00 0.00 H ATOM 1429 HZ3 LYS X 197 9.658 0.585 12.035 1.00 0.00 H ATOM 1430 H LYS X 197 14.600 5.253 7.742 1.00 0.00 H ATOM 1431 N ILE X 198 13.788 6.461 11.603 1.00 10.17 N ATOM 1432 CA ILE X 198 14.592 6.747 12.774 1.00 9.45 C ATOM 1433 C ILE X 198 13.891 6.193 13.997 1.00 8.77 C ATOM 1434 O ILE X 198 12.815 6.652 14.366 1.00 9.30 O ATOM 1435 CB ILE X 198 14.820 8.247 12.907 1.00 10.00 C ATOM 1436 CG1 ILE X 198 15.354 8.798 11.581 1.00 10.76 C ATOM 1437 CG2 ILE X 198 15.768 8.545 14.055 1.00 10.17 C ATOM 1438 CD1 ILE X 198 15.345 10.303 11.497 1.00 11.45 C ATOM 1439 H ILE X 198 12.914 7.004 11.449 1.00 0.00 H ATOM 1440 N VAL X 199 14.506 5.191 14.612 1.00 8.57 N ATOM 1441 CA VAL X 199 13.841 4.405 15.639 1.00 8.99 C ATOM 1442 C VAL X 199 14.633 4.385 16.938 1.00 8.66 C ATOM 1443 O VAL X 199 15.847 4.174 16.938 1.00 8.76 O ATOM 1444 CB VAL X 199 13.641 2.952 15.150 1.00 9.97 C ATOM 1445 CG1 VAL X 199 13.016 2.090 16.243 1.00 10.43 C ATOM 1446 CG2 VAL X 199 12.802 2.925 13.878 1.00 9.94 C ATOM 1447 H VAL X 199 15.487 4.962 14.353 1.00 0.00 H ATOM 1448 N ILE X 200 13.944 4.623 18.047 1.00 8.07 N ATOM 1449 CA ILE X 200 14.541 4.410 19.356 1.00 7.87 C ATOM 1450 C ILE X 200 14.489 2.910 19.628 1.00 8.42 C ATOM 1451 O ILE X 200 13.436 2.371 19.953 1.00 9.33 O ATOM 1452 CB ILE X 200 13.773 5.179 20.447 1.00 7.38 C ATOM 1453 CG1 ILE X 200 13.851 6.686 20.183 1.00 7.22 C ATOM 1454 CG2 ILE X 200 14.317 4.831 21.825 1.00 7.79 C ATOM 1455 CD1 ILE X 200 12.881 7.508 21.004 1.00 8.03 C ATOM 1456 H ILE X 200 12.965 4.966 17.979 1.00 0.00 H ATOM 1457 N THR X 201 15.619 2.229 19.465 1.00 7.84 N ATOM 1458 CA THR X 201 15.626 0.770 19.560 1.00 8.93 C ATOM 1459 C THR X 201 15.654 0.297 21.007 1.00 9.42 C ATOM 1460 O THR X 201 15.126 -0.768 21.339 1.00 10.06 O ATOM 1461 CB THR X 201 16.826 0.159 18.813 1.00 10.18 C ATOM 1462 OG1 THR X 201 18.045 0.649 19.384 1.00 11.18 O ATOM 1463 CG2 THR X 201 16.772 0.524 17.342 1.00 10.48 C ATOM 1464 HG1 THR X 201 18.086 0.394 20.340 1.00 0.00 H ATOM 1465 H THR X 201 16.505 2.738 19.268 1.00 0.00 H ATOM 1466 N ASP X 202 16.290 1.092 21.858 1.00 8.11 N ATOM 1467 CA ASP X 202 16.418 0.778 23.269 1.00 8.02 C ATOM 1468 C ASP X 202 16.460 2.081 24.031 1.00 6.85 C ATOM 1469 O ASP X 202 16.853 3.114 23.495 1.00 7.25 O ATOM 1470 CB ASP X 202 17.724 0.031 23.548 1.00 8.22 C ATOM 1471 CG ASP X 202 17.870 -1.223 22.724 1.00 8.31 C ATOM 1472 OD1 ASP X 202 17.462 -2.300 23.209 1.00 8.78 O ATOM 1473 OD2 ASP X 202 18.398 -1.129 21.593 1.00 8.92 O ATOM 1474 H ASP X 202 16.712 1.973 21.501 1.00 0.00 H ATOM 1475 N CYS X 203 16.077 2.021 25.296 1.00 6.20 N ATOM 1476 CA CYS X 203 16.115 3.191 26.157 1.00 5.99 C ATOM 1477 C CYS X 203 16.035 2.727 27.597 1.00 6.70 C ATOM 1478 O CYS X 203 15.673 1.584 27.868 1.00 7.72 O ATOM 1479 CB CYS X 203 14.987 4.181 25.811 1.00 6.48 C ATOM 1480 SG CYS X 203 13.330 3.451 25.617 1.00 6.61 S ATOM 1481 H CYS X 203 15.741 1.116 25.683 1.00 0.00 H ATOM 1482 N GLY X 204 16.385 3.607 28.523 1.00 5.21 N ATOM 1483 CA GLY X 204 16.399 3.223 29.921 1.00 5.41 C ATOM 1484 C GLY X 204 17.007 4.291 30.791 1.00 5.36 C ATOM 1485 O GLY X 204 17.248 5.415 30.341 1.00 6.01 O ATOM 1486 H GLY X 204 16.650 4.574 28.247 1.00 0.00 H ATOM 1487 N GLN X 205 17.250 3.929 32.043 1.00 5.33 N ATOM 1488 CA GLN X 205 17.789 4.854 33.027 1.00 5.56 C ATOM 1489 C GLN X 205 19.193 4.436 33.420 1.00 5.90 C ATOM 1490 O GLN X 205 19.436 3.275 33.764 1.00 6.84 O ATOM 1491 CB GLN X 205 16.893 4.893 34.265 1.00 5.81 C ATOM 1492 CG GLN X 205 17.426 5.788 35.367 1.00 6.37 C ATOM 1493 CD GLN X 205 16.412 6.043 36.470 1.00 6.30 C ATOM 1494 OE1 GLN X 205 15.409 5.330 36.592 1.00 6.27 O ATOM 1495 NE2 GLN X 205 16.662 7.075 37.269 1.00 6.60 N ATOM 1496 HE22 GLN X 205 17.519 7.646 37.128 1.00 0.00 H ATOM 1497 HE21 GLN X 205 16.000 7.311 38.036 1.00 0.00 H ATOM 1498 H GLN X 205 17.048 2.950 32.331 1.00 0.00 H ATOM 1499 N LEU X 206 20.111 5.395 33.371 1.00 5.29 N ATOM 1500 CA LEU X 206 21.499 5.158 33.769 1.00 5.41 C ATOM 1501 C LEU X 206 21.730 5.408 35.256 1.00 5.29 C ATOM 1502 O LEU X 206 22.563 4.753 35.873 1.00 5.28 O ATOM 1503 CB LEU X 206 22.437 6.044 32.949 1.00 5.83 C ATOM 1504 CG LEU X 206 22.450 5.755 31.446 1.00 6.87 C ATOM 1505 CD1 LEU X 206 23.343 6.759 30.721 1.00 7.26 C ATOM 1506 CD2 LEU X 206 22.877 4.308 31.135 1.00 7.00 C ATOM 1507 H LEU X 206 19.835 6.342 33.040 1.00 0.00 H ATOM 1508 N SER X 207 21.015 6.382 35.815 1.00 5.82 N ATOM 1509 CA SER X 207 21.166 6.749 37.226 1.00 5.85 C ATOM 1510 C SER X 207 20.012 7.634 37.635 1.00 6.07 C ATOM 1511 O SER X 207 19.844 7.917 38.826 1.00 7.05 O ATOM 1512 CB SER X 207 22.485 7.475 37.493 1.00 6.48 C ATOM 1513 OG SER X 207 22.539 8.716 36.807 1.00 6.85 O ATOM 1514 OXT SER X 207 19.243 8.076 36.777 1.00 5.49 O ATOM 1515 HG SER X 207 21.794 9.293 37.112 1.00 0.00 H ATOM 1516 H SER X 207 20.327 6.899 35.232 1.00 0.00 H TER 1517 SER X 207 HETATM 1518 O HOH 1 15.846 12.235 41.159 1.00 12.14 O HETATM 1519 O HOH 2 19.815 -2.309 17.906 1.00 29.90 O HETATM 1520 O HOH 3 27.994 0.316 14.275 1.00 13.31 O HETATM 1521 O HOH 4 -2.398 29.900 25.244 1.00 21.66 O HETATM 1522 O HOH 5 20.833 -0.823 24.906 1.00 41.53 O HETATM 1523 O HOH 6 24.327 1.764 19.645 1.00 17.39 O HETATM 1524 O HOH 7 -4.337 28.429 23.839 1.00 35.51 O HETATM 1525 O HOH 8 20.282 1.551 18.032 1.00 13.57 O HETATM 1526 O HOH 9 15.667 0.019 13.633 1.00 21.65 O HETATM 1527 O HOH 10 10.731 16.038 43.717 1.00 14.31 O HETATM 1528 O HOH 11 13.755 4.557 4.876 1.00 20.02 O HETATM 1529 O HOH 12 11.899 14.067 41.961 1.00 13.01 O HETATM 1530 O HOH 13 8.470 12.688 41.854 1.00 32.80 O HETATM 1531 O HOH 14 21.299 7.362 40.997 1.00 19.23 O HETATM 1532 O HOH 15 14.062 10.323 40.235 1.00 11.58 O HETATM 1533 O HOH 16 12.367 9.516 42.209 1.00 16.87 O HETATM 1534 O HOH 17 22.405 3.055 18.572 1.00 10.81 O HETATM 1535 O HOH 18 6.973 1.802 41.406 1.00 31.88 O HETATM 1536 O HOH 19 25.579 5.348 28.594 1.00 13.16 O HETATM 1537 O HOH 20 27.047 6.994 20.888 1.00 9.59 O HETATM 1538 O HOH 21 5.814 14.011 7.490 1.00 12.85 O HETATM 1539 O HOH 22 13.862 22.997 43.238 1.00 43.97 O HETATM 1540 O HOH 23 19.718 21.554 37.726 1.00 38.24 O HETATM 1541 O HOH 24 9.941 23.963 40.275 1.00 8.59 O HETATM 1542 O HOH 25 20.369 30.526 30.283 1.00 15.21 O HETATM 1543 O HOH 26 5.927 16.099 42.341 1.00 16.84 O HETATM 1544 O HOH 27 7.675 14.022 30.367 1.00 7.65 O HETATM 1545 O HOH 28 4.789 19.600 32.165 1.00 6.20 O HETATM 1546 O HOH 29 10.753 7.836 40.782 1.00 22.16 O HETATM 1547 O HOH 30 6.089 6.716 38.921 1.00 14.45 O HETATM 1548 O HOH 31 2.726 26.175 34.568 1.00 23.02 O HETATM 1549 O HOH 32 17.650 30.700 30.608 1.00 11.96 O HETATM 1550 O HOH 33 10.475 1.973 26.926 1.00 7.48 O HETATM 1551 O HOH 34 12.727 0.322 27.688 1.00 10.03 O HETATM 1552 O HOH 35 10.760 -2.078 32.845 1.00 22.37 O HETATM 1553 O HOH 36 12.145 -2.149 28.535 1.00 29.07 O HETATM 1554 O HOH 37 7.452 -1.674 28.715 1.00 16.15 O HETATM 1555 O HOH 38 10.967 2.924 39.757 1.00 13.60 O HETATM 1556 O HOH 39 6.894 2.162 38.554 1.00 17.70 O HETATM 1557 O HOH 40 24.965 21.686 18.390 1.00 23.39 O HETATM 1558 O HOH 41 6.650 2.963 31.647 1.00 6.86 O HETATM 1559 O HOH 42 4.948 0.800 24.503 1.00 13.71 O HETATM 1560 O HOH 43 8.374 0.167 26.814 1.00 10.44 O HETATM 1561 O HOH 44 7.688 0.110 24.171 1.00 11.91 O HETATM 1562 O HOH 45 14.886 -0.642 25.873 1.00 14.16 O HETATM 1563 O HOH 46 10.290 -0.619 16.418 1.00 23.13 O HETATM 1564 O HOH 47 19.773 24.148 32.807 1.00 13.91 O HETATM 1565 O HOH 48 27.677 4.461 24.676 1.00 46.50 O HETATM 1566 O HOH 49 6.644 6.247 16.750 1.00 11.87 O HETATM 1567 O HOH 50 7.440 7.637 12.209 1.00 19.26 O HETATM 1568 O HOH 51 6.880 9.303 17.333 1.00 7.73 O HETATM 1569 O HOH 52 16.120 0.724 35.325 1.00 11.18 O HETATM 1570 O HOH 53 11.606 8.325 11.108 1.00 10.49 O HETATM 1571 O HOH 54 8.747 11.217 9.177 1.00 12.04 O HETATM 1572 O HOH 55 6.646 14.780 9.962 1.00 10.72 O HETATM 1573 O HOH 56 16.825 32.768 28.904 1.00 14.67 O HETATM 1574 O HOH 57 17.419 32.167 26.275 1.00 16.18 O HETATM 1575 O HOH 58 14.580 23.657 8.085 1.00 31.46 O HETATM 1576 O HOH 59 12.947 -1.568 17.252 1.00 32.41 O HETATM 1577 O HOH 60 -3.437 3.390 18.090 1.00 41.10 O HETATM 1578 O HOH 61 5.640 9.043 10.741 1.00 18.55 O HETATM 1579 O HOH 62 4.646 13.746 11.463 1.00 13.52 O HETATM 1580 O HOH 63 3.998 11.220 10.872 1.00 12.73 O HETATM 1581 O HOH 64 0.377 12.405 11.954 1.00 8.95 O HETATM 1582 O HOH 65 -3.902 8.458 13.684 1.00 24.72 O HETATM 1583 O HOH 66 2.114 12.567 23.445 1.00 6.19 O HETATM 1584 O HOH 67 -6.450 12.404 25.525 1.00 18.81 O HETATM 1585 O HOH 68 -3.831 6.880 28.883 1.00 21.14 O HETATM 1586 O HOH 69 2.865 18.736 35.455 1.00 7.54 O HETATM 1587 O HOH 70 1.122 21.387 26.948 1.00 5.98 O HETATM 1588 O HOH 71 5.580 20.177 40.266 1.00 12.20 O HETATM 1589 O HOH 72 6.531 24.221 39.533 1.00 17.77 O HETATM 1590 O HOH 73 10.703 24.147 33.044 1.00 6.20 O HETATM 1591 O HOH 74 9.940 26.683 39.105 1.00 10.76 O HETATM 1592 O HOH 75 13.108 31.208 34.701 1.00 11.03 O HETATM 1593 O HOH 76 9.956 25.249 30.533 1.00 6.05 O HETATM 1594 O HOH 77 17.247 24.869 29.415 1.00 9.25 O HETATM 1595 O HOH 78 9.783 32.640 28.861 1.00 17.18 O HETATM 1596 O HOH 79 16.872 28.058 31.327 1.00 8.18 O HETATM 1597 O HOH 80 20.131 31.341 25.462 1.00 21.79 O HETATM 1598 O HOH 81 22.379 29.289 21.932 1.00 29.53 O HETATM 1599 O HOH 82 3.839 15.506 24.890 1.00 5.20 O HETATM 1600 O HOH 83 -1.269 23.849 34.545 1.00 12.94 O HETATM 1601 O HOH 84 -2.411 26.648 32.173 1.00 19.02 O HETATM 1602 O HOH 85 4.824 21.397 26.779 1.00 12.08 O HETATM 1603 O HOH 86 23.037 22.013 16.521 1.00 17.46 O HETATM 1604 O HOH 87 16.412 25.515 22.415 1.00 8.40 O HETATM 1605 O HOH 88 16.289 6.090 3.497 1.00 21.33 O HETATM 1606 O HOH 89 15.317 31.006 25.109 1.00 12.69 O HETATM 1607 O HOH 90 1.524 28.264 27.373 1.00 12.11 O HETATM 1608 O HOH 91 3.495 31.178 29.479 1.00 16.07 O HETATM 1609 O HOH 92 1.563 25.472 26.965 1.00 8.30 O HETATM 1610 O HOH 93 9.386 27.246 28.229 1.00 6.93 O HETATM 1611 O HOH 94 -2.415 9.306 37.569 1.00 15.94 O HETATM 1612 O HOH 95 29.464 14.018 27.659 1.00 10.07 O HETATM 1613 O HOH 96 30.191 7.820 28.148 1.00 9.25 O HETATM 1614 O HOH 97 29.416 11.465 28.994 1.00 7.69 O HETATM 1615 O HOH 98 26.976 8.938 22.881 1.00 9.20 O HETATM 1616 O HOH 99 29.830 7.233 24.054 1.00 18.75 O HETATM 1617 O HOH 100 27.353 6.327 26.738 1.00 18.97 O HETATM 1618 O HOH 101 27.020 14.051 13.706 1.00 10.42 O HETATM 1619 O HOH 102 28.402 10.048 15.028 1.00 13.14 O HETATM 1620 O HOH 103 25.898 14.810 11.422 1.00 17.76 O HETATM 1621 O HOH 104 22.664 18.068 11.175 1.00 12.69 O HETATM 1622 O HOH 105 10.204 19.098 3.016 1.00 23.96 O HETATM 1623 O HOH 106 12.458 13.952 3.804 1.00 22.38 O HETATM 1624 O HOH 107 10.844 7.850 7.106 1.00 22.68 O HETATM 1625 O HOH 108 12.400 6.838 5.208 1.00 27.20 O HETATM 1626 O HOH 109 16.952 14.353 4.790 1.00 22.42 O HETATM 1627 O HOH 110 20.465 4.613 5.388 1.00 17.16 O HETATM 1628 O HOH 111 20.386 0.939 32.726 1.00 33.33 O HETATM 1629 O HOH 112 15.021 2.710 36.968 1.00 10.57 O HETATM 1630 O HOH 113 16.543 1.166 32.621 1.00 8.48 O HETATM 1631 O HOH 114 22.181 2.457 37.692 1.00 24.56 O HETATM 1632 O HOH 115 14.560 14.484 42.246 1.00 17.75 O HETATM 1633 O HOH 116 18.217 15.381 43.467 1.00 28.54 O HETATM 1634 O HOH 117 24.362 2.151 22.337 1.00 24.99 O HETATM 1635 O HOH 118 12.176 33.552 27.531 1.00 16.14 O HETATM 1636 O HOH 119 14.038 20.184 3.027 1.00 34.20 O HETATM 1637 O HOH 120 6.016 17.493 10.106 1.00 9.33 O HETATM 1638 O HOH 121 17.639 -3.500 20.260 1.00 39.40 O HETATM 1639 O HOH 122 24.718 20.640 23.399 1.00 40.88 O HETATM 1640 O HOH 123 21.043 28.742 18.381 1.00 34.90 O HETATM 1641 O HOH 124 28.665 10.516 21.335 1.00 16.16 O HETATM 1642 O HOH 125 15.533 2.118 11.795 1.00 15.33 O HETATM 1643 O HOH 126 18.335 12.019 44.480 1.00 14.08 O HETATM 1644 O HOH 127 5.308 12.288 39.692 1.00 21.18 O HETATM 1645 O HOH 128 16.498 16.197 41.625 1.00 16.41 O HETATM 1646 O HOH 129 27.620 17.422 17.385 1.00 19.03 O HETATM 1647 O HOH 130 28.554 16.045 15.179 1.00 17.82 O HETATM 1648 O HOH 131 -1.697 6.576 30.648 1.00 18.16 O HETATM 1649 O HOH 132 26.396 8.245 14.347 1.00 21.43 O HETATM 1650 O HOH 133 10.502 -2.653 20.381 1.00 28.71 O HETATM 1651 O HOH 134 13.699 3.093 39.393 1.00 17.49 O HETATM 1652 O HOH 135 14.718 2.616 41.575 1.00 38.37 O HETATM 1653 O HOH 136 7.492 23.238 41.665 1.00 21.04 O HETATM 1654 O HOH 137 11.429 23.481 42.521 1.00 31.28 O HETATM 1655 O HOH 138 6.944 14.157 40.865 1.00 16.41 O HETATM 1656 O HOH 139 7.185 20.773 42.438 1.00 31.18 O HETATM 1657 O HOH 140 8.381 -1.469 39.230 1.00 24.08 O HETATM 1658 O HOH 141 11.021 0.864 41.510 1.00 20.76 O HETATM 1659 O HOH 142 6.609 9.870 8.225 1.00 18.39 O HETATM 1660 O HOH 143 -0.536 7.191 8.547 1.00 13.23 O HETATM 1661 O HOH 144 0.843 1.743 24.240 1.00 38.69 O HETATM 1662 O HOH 145 8.443 21.061 1.821 1.00 48.22 O HETATM 1663 O HOH 146 10.283 -3.085 29.464 1.00 27.10 O HETATM 1664 O HOH 147 13.520 -4.150 26.933 1.00 32.76 O HETATM 1665 O HOH 148 3.375 15.544 15.657 1.00 8.36 O HETATM 1666 O HOH 149 -2.048 9.392 9.355 1.00 9.84 O HETATM 1667 O HOH 150 0.401 29.458 25.165 1.00 27.92 O HETATM 1668 O HOH 151 -0.076 26.312 30.755 1.00 10.60 O HETATM 1669 O HOH 152 -5.439 6.655 31.221 1.00 17.24 O HETATM 1670 O HOH 153 13.391 -2.203 19.823 1.00 27.53 O HETATM 1671 O HOH 154 21.925 10.782 38.497 1.00 16.07 O HETATM 1672 O HOH 155 18.079 9.690 39.867 1.00 14.66 O HETATM 1673 O HOH 156 12.032 11.170 38.445 1.00 8.59 O HETATM 1674 O HOH 157 10.940 13.338 39.606 1.00 10.42 O HETATM 1675 O HOH 158 29.142 4.985 28.789 1.00 25.68 O HETATM 1676 O HOH 159 31.663 6.634 26.080 1.00 13.20 O HETATM 1677 O HOH 160 27.627 8.084 18.334 1.00 11.86 O HETATM 1678 O HOH 161 21.237 23.109 13.775 1.00 13.60 O HETATM 1679 O HOH 162 0.677 26.343 24.472 1.00 18.82 O HETATM 1680 O HOH 163 -5.176 23.394 25.599 1.00 20.66 O HETATM 1681 O HOH 164 5.688 -3.428 33.966 1.00 24.87 O HETATM 1682 O HOH 165 15.975 22.797 5.751 1.00 49.98 O HETATM 1683 O HOH 166 6.830 -0.927 18.941 1.00 43.53 O HETATM 1684 O HOH 167 -1.821 4.065 31.756 1.00 29.63 O HETATM 1685 O HOH 168 9.662 7.922 19.770 1.00 15.37 O HETATM 1686 O HOH 169 1.585 25.178 22.470 1.00 16.51 O HETATM 1687 O HOH 170 1.611 19.475 14.590 1.00 9.45 O HETATM 1688 O HOH 171 3.143 27.421 18.677 1.00 19.62 O HETATM 1689 O HOH 172 3.309 25.421 20.439 1.00 10.90 O HETATM 1690 O HOH 173 7.768 27.350 14.497 1.00 19.51 O HETATM 1691 O HOH 174 21.430 -0.866 18.744 1.00 23.52 O HETATM 1692 O HOH 175 21.091 -0.642 21.725 1.00 21.60 O HETATM 1693 O HOH 176 17.044 22.289 30.146 1.00 10.43 O HETATM 1694 O HOH 177 25.620 -2.264 11.729 1.00 17.43 O HETATM 1695 O HOH 178 5.168 29.081 17.909 1.00 30.92 O HETATM 1696 O HOH 179 5.638 28.837 15.253 1.00 22.60 O HETATM 1697 O HOH 180 2.170 22.950 19.671 1.00 16.55 O HETATM 1698 O HOH 181 2.155 23.689 17.111 1.00 17.04 O HETATM 1699 O HOH 182 -1.940 24.900 15.646 1.00 28.50 O HETATM 1700 O HOH 183 -4.102 24.566 17.320 1.00 28.99 O HETATM 1701 O HOH 184 5.534 31.023 19.485 1.00 26.22 O HETATM 1702 O HOH 185 28.900 13.136 22.881 1.00 12.78 O HETATM 1703 O HOH 186 21.589 25.280 12.297 1.00 19.40 O HETATM 1704 O HOH 187 10.298 20.983 42.599 1.00 26.11 O HETATM 1705 O HOH 188 6.430 -0.461 37.645 1.00 21.50 O HETATM 1706 O HOH 189 23.168 19.892 25.476 1.00 19.01 O HETATM 1707 O HOH 190 -2.344 2.696 29.804 1.00 35.39 O HETATM 1708 O HOH 191 2.730 18.915 43.714 1.00 25.13 O HETATM 1709 O HOH 192 1.524 4.563 35.066 1.00 24.64 O HETATM 1710 O HOH 193 3.730 -1.487 25.482 1.00 28.25 O HETATM 1711 O HOH 194 28.671 14.789 20.625 1.00 19.62 O HETATM 1712 O HOH 195 7.050 32.320 23.278 1.00 34.76 O HETATM 1713 O HOH 196 0.866 27.177 33.479 1.00 21.72 O HETATM 1714 O HOH 197 9.517 6.582 10.710 1.00 17.91 O HETATM 1715 O HOH 198 24.868 -0.768 7.591 1.00 24.06 O HETATM 1716 O HOH 199 6.790 1.142 20.305 1.00 21.56 O HETATM 1717 O HOH 200 19.588 2.578 36.467 1.00 13.75 O HETATM 1718 O HOH 201 30.499 14.072 25.137 1.00 19.82 O HETATM 1719 O HOH 202 -2.389 26.424 35.135 1.00 25.71 O HETATM 1720 O HOH 203 15.017 -0.154 30.933 1.00 24.11 O HETATM 1721 O HOH 204 25.793 4.608 12.005 1.00 32.94 O HETATM 1722 O HOH 205 10.887 -0.627 13.660 1.00 34.86 O HETATM 1723 O HOH 206 13.773 -1.361 14.681 1.00 30.30 O HETATM 1724 O HOH 207 29.278 6.050 18.010 1.00 35.14 O HETATM 1725 O HOH 208 15.444 34.162 25.099 1.00 44.14 O HETATM 1726 O HOH 209 1.386 29.249 19.626 1.00 38.63 O HETATM 1727 O HOH 210 8.974 -2.218 17.698 1.00 48.64 O HETATM 1728 O HOH 211 23.644 -2.761 10.055 1.00 53.88 O HETATM 1729 O HOH 212 24.109 24.997 11.188 1.00 34.55 O HETATM 1730 O HOH 213 20.579 31.298 17.906 1.00 45.25 O HETATM 1731 O HOH 214 -4.924 2.356 29.588 1.00 49.84 O HETATM 1732 O HOH 215 21.410 -2.505 9.468 1.00 42.66 O HETATM 1733 O HOH 216 8.155 16.960 44.028 1.00 32.43 O HETATM 1734 O HOH 217 25.629 21.248 20.955 1.00 37.55 O HETATM 1735 O HOH 218 -4.879 9.969 15.512 1.00 36.17 O HETATM 1736 O HOH 219 21.507 32.211 32.034 1.00 29.79 O HETATM 1737 O HOH 220 16.845 -0.988 28.149 1.00 55.43 O HETATM 1738 O HOH 221 21.520 27.832 12.917 1.00 48.05 O HETATM 1739 O HOH 222 21.911 23.720 27.642 1.00 32.47 O HETATM 1740 O HOH 223 18.619 -0.113 31.225 1.00 18.93 O HETATM 1741 O HOH 224 1.928 26.389 16.372 1.00 19.49 O HETATM 1742 O HOH 225 21.359 21.660 9.878 1.00 34.88 O HETATM 1743 O HOH 226 21.515 22.067 26.269 1.00 37.98 O HETATM 1744 O HOH 227 2.165 4.502 38.132 1.00 33.30 O HETATM 1745 O HOH 228 22.268 24.606 24.776 1.00 31.80 O HETATM 1746 O HOH 229 23.246 27.114 17.671 1.00 62.00 O HETATM 1747 O HOH 230 14.440 14.761 2.452 1.00 38.18 O HETATM 1748 O HOH 231 15.153 -5.947 27.797 1.00 89.85 O HETATM 1749 O HOH 232 20.902 19.341 9.168 1.00 61.27 O HETATM 1750 O HOH 233 9.771 5.261 41.249 1.00 64.53 O HETATM 1751 O HOH 234 0.466 0.123 33.253 1.00 46.12 O HETATM 1752 O HOH 235 -3.683 6.830 21.083 1.00 51.26 O HETATM 1753 O HOH 236 8.061 10.015 41.772 1.00 53.77 O HETATM 1754 O HOH 237 -4.236 7.211 26.277 1.00 31.36 O HETATM 1755 O HOH 238 2.978 33.420 28.063 1.00 30.91 O HETATM 1756 O HOH 239 21.408 31.051 27.725 1.00 29.51 O HETATM 1757 O HOH 240 24.245 -1.979 18.151 1.00 47.80 O HETATM 1758 O HOH 241 -1.108 -0.245 30.631 1.00 40.56 O HETATM 1759 O HOH 242 23.171 27.054 25.074 1.00 49.64 O HETATM 1760 O HOH 243 18.618 10.485 4.030 1.00 45.62 O HETATM 1761 O HOH 244 9.036 6.355 8.118 1.00 44.61 O HETATM 1762 O HOH 245 26.501 2.770 23.464 1.00 59.41 O HETATM 1763 O HOH 246 18.343 7.292 2.871 1.00 24.34 O HETATM 1764 O HOH 247 -3.551 14.365 18.873 1.00 35.74 O HETATM 1765 O HOH 248 7.293 26.982 39.628 1.00 18.04 O HETATM 1766 O HOH 249 27.192 2.852 15.190 1.00 19.81 O HETATM 1767 O HOH 250 16.073 -2.700 12.157 1.00 41.47 O HETATM 1768 O HOH 251 13.437 5.748 40.355 1.00 42.10 O HETATM 1769 O HOH 252 18.383 -3.714 12.261 1.00 38.42 O HETATM 1770 O HOH 253 6.112 33.125 18.531 1.00 51.90 O HETATM 1771 O HOH 254 15.447 7.992 39.710 1.00 19.26 O HETATM 1772 O HOH 255 -0.012 22.645 15.984 1.00 22.63 O HETATM 1773 O HOH 256 1.854 7.131 37.601 1.00 26.20 O HETATM 1774 O HOH 257 26.969 15.623 23.316 1.00 7.44 O HETATM 1775 O HOH 258 4.507 1.043 21.788 1.00 17.72 O HETATM 1776 O HOH 259 1.014 4.568 11.755 1.00 36.15 O HETATM 1777 O HOH 260 -0.100 0.267 26.629 1.00 32.13 O HETATM 1778 O HOH 261 27.305 6.697 12.470 1.00 30.44 O HETATM 1779 O HOH 262 3.109 -1.419 21.764 1.00 40.19 O HETATM 1780 O HOH 263 11.624 11.468 2.396 1.00 35.73 O HETATM 1781 O HOH 264 7.225 33.254 27.613 1.00 43.00 O HETATM 1782 O HOH 265 25.098 6.215 10.187 1.00 48.31 O HETATM 1783 O HOH 266 1.834 8.379 39.595 1.00 33.19 O HETATM 1784 O HOH 267 4.388 9.219 40.143 1.00 64.92 O HETATM 1785 O HOH 268 -5.863 4.285 32.176 1.00 39.84 O HETATM 1786 O HOH 269 4.540 18.187 47.778 1.00 16.68 O HETATM 1787 O HOH 270 4.416 21.128 10.250 1.00 13.91 O HETATM 1788 O HOH 271 14.030 0.349 9.288 1.00 24.74 O HETATM 1789 O HOH 272 21.947 34.550 24.251 1.00 35.19 O HETATM 1790 O HOH 273 22.555 33.827 27.211 1.00 36.95 O HETATM 1791 O HOH 274 28.945 4.714 14.126 1.00 37.49 O HETATM 1792 O HOH 275 21.546 4.578 8.070 1.00 43.43 O HETATM 1793 O HOH 276 23.410 7.051 8.494 1.00 55.46 O HETATM 1794 O HOH 277 22.934 -0.507 29.050 1.00 40.67 O HETATM 1795 O HOH 278 6.943 -4.097 31.595 1.00 29.29 O HETATM 1796 O HOH 279 5.417 29.976 34.489 1.00 3.04 O HETATM 1797 O HOH 280 6.300 21.793 10.057 1.00 49.27 O HETATM 1798 O HOH 281 3.528 29.361 34.655 1.00 27.63 O HETATM 1799 O HOH 282 11.712 11.954 43.661 1.00 17.70 O HETATM 1800 O HOH 283 3.682 22.396 9.023 1.00 42.99 O HETATM 1801 O HOH 284 -2.937 6.156 34.156 1.00 43.60 O HETATM 1802 O HOH 285 5.260 34.644 28.043 1.00 28.38 O HETATM 1803 O HOH 286 12.387 34.678 24.959 1.00 36.61 O HETATM 1804 O HOH 287 -7.597 9.721 24.623 1.00 49.49 O HETATM 1805 O HOH 288 -1.125 25.264 20.054 1.00 38.14 O HETATM 1806 O HOH 289 2.873 17.063 48.202 1.00 39.19 O HETATM 1807 O HOH 290 14.058 26.363 10.838 1.00 43.80 O HETATM 1808 O HOH 291 10.430 34.403 23.134 1.00 41.11 O HETATM 1809 O HOH 292 21.006 -1.439 15.057 1.00 20.31 O HETATM 1810 O HOH 293 15.593 31.300 18.997 1.00 17.14 O HETATM 1811 O HOH 294 0.615 -2.418 29.203 1.00 25.63 O HETATM 1812 O HOH 295 16.155 35.172 22.957 1.00 21.25 O HETATM 1813 O HOH 296 23.231 29.161 26.749 1.00 36.34 O HETATM 1814 O HOH 297 4.351 13.494 41.455 1.00 19.48 O HETATM 1815 O HOH 298 -4.981 23.730 21.380 1.00 29.32 O HETATM 1816 O HOH 299 5.472 31.543 35.862 1.00 12.26 O HETATM 1817 O HOH 300 -2.053 1.695 20.594 1.00 57.20 O HETATM 1818 O HOH 301 22.497 22.835 29.505 1.00 24.98 O HETATM 1819 O HOH 302 7.262 1.680 14.773 1.00 32.77 O HETATM 1820 O HOH 303 28.163 19.778 20.634 1.00 25.68 O HETATM 1821 O HOH 304 31.174 6.276 20.453 1.00 25.53 O HETATM 1822 O HOH 305 6.327 -3.977 27.978 1.00 35.89 O HETATM 1823 O HOH 306 17.744 18.404 4.742 1.00 30.27 O HETATM 1824 O HOH 307 -3.218 10.114 22.488 1.00 19.04 O HETATM 1825 O HOH 308 23.038 27.127 28.314 1.00 20.89 O HETATM 1826 O HOH 309 -5.280 22.403 23.408 1.00 13.32 O HETATM 1827 O HOH 310 0.395 7.635 41.679 1.00 21.56 O HETATM 1828 O HOH 311 10.163 15.538 2.216 1.00 33.04 O HETATM 1829 O HOH 312 10.666 13.808 -0.450 1.00 29.92 O HETATM 1830 O HOH 313 27.004 4.236 16.838 1.00 12.14 O HETATM 1831 O HOH 314 -4.118 6.361 38.036 1.00 21.46 O HETATM 1832 O HOH 315 19.881 -4.526 13.853 1.00 19.48 O HETATM 1833 O HOH 316 14.035 -0.212 29.141 1.00 23.11 O HETATM 1834 O HOH 317 23.295 -1.881 25.068 1.00 21.61 O HETATM 1835 O HOH 318 20.159 6.454 2.092 1.00 29.06 O HETATM 1836 O HOH 319 22.934 7.683 3.988 1.00 37.43 O HETATM 1837 O HOH 320 25.281 26.686 19.843 1.00 28.16 O HETATM 1838 O HOH 321 7.981 19.393 44.159 1.00 25.03 O HETATM 1839 O HOH 322 -2.662 27.559 22.140 1.00 30.99 O HETATM 1840 O HOH 323 28.738 16.531 25.187 1.00 16.62 O HETATM 1841 O HOH 324 18.795 25.086 7.787 1.00 27.67 O HETATM 1842 O HOH 325 26.080 23.578 19.942 1.00 24.73 O HETATM 1843 O HOH 326 32.957 14.935 21.523 1.00 29.19 O HETATM 1844 O HOH 327 32.144 16.811 21.779 1.00 20.41 O HETATM 1845 O HOH 328 31.169 18.454 22.514 1.00 28.64 O HETATM 1846 O HOH 329 -5.163 9.623 19.790 1.00 27.00 O HETATM 1847 O HOH 330 -7.230 10.819 22.769 1.00 34.29 O HETATM 1848 O HOH 331 13.647 -7.340 24.272 1.00 59.64 O HETATM 1849 O HOH 332 16.214 -5.263 23.434 1.00 29.19 O HETATM 1850 O HOH 333 9.828 -5.702 28.488 1.00 55.90 O HETATM 1851 O HOH 334 -4.194 4.701 34.923 1.00 48.17 O HETATM 1852 O HOH 335 0.754 4.016 40.628 1.00 57.36 O HETATM 1853 O HOH 336 -2.282 4.657 38.247 1.00 63.09 O HETATM 1854 O HOH 337 2.126 0.413 36.933 1.00 61.66 O HETATM 1855 O HOH 338 -0.400 2.804 34.113 1.00 50.32 O HETATM 1856 O HOH 339 18.906 21.769 31.643 1.00 12.42 O HETATM 1857 O HOH 340 30.914 4.741 21.797 1.00 30.08 O HETATM 1858 O HOH 341 8.069 22.868 44.392 1.00 23.70 O HETATM 1859 O HOH 342 8.170 14.190 -1.792 1.00 25.32 O HETATM 1860 O HOH 343 27.432 2.143 26.203 1.00 19.29 O HETATM 1861 O HOH 344 6.093 5.017 12.171 1.00 22.35 O HETATM 1862 O HOH 345 4.275 19.245 49.423 1.00 19.86 O HETATM 1863 O HOH 346 4.150 33.977 18.213 1.00 26.95 O HETATM 1864 CAA UNN A 347 1.784 16.536 20.750 1.00 -0.07 C HETATM 1865 CAB UNN A 347 1.592 16.066 22.054 1.00 -0.05 C HETATM 1866 CAC UNN A 347 0.507 15.242 22.356 1.00 0.03 C HETATM 1867 NAG UNN A 347 0.319 14.790 23.603 1.00 -0.34 N HETATM 1868 H3 UNN A 347 -0.485 14.182 23.815 1.00 0.17 H HETATM 1869 H4 UNN A 347 0.979 15.050 24.350 1.00 0.17 H HETATM 1870 CAD UNN A 347 -0.376 14.887 21.338 1.00 -0.05 C HETATM 1871 CAE UNN A 347 -0.181 15.354 20.038 1.00 -0.07 C HETATM 1872 CAF UNN A 347 0.897 16.178 19.728 1.00 -0.03 C HETATM 1873 CAH UNN A 347 1.083 16.682 18.277 1.00 0.06 C HETATM 1874 NAI UNN A 347 1.432 18.101 18.373 1.00 -0.26 N HETATM 1875 CAJ UNN A 347 2.558 18.607 17.879 1.00 0.26 C HETATM 1876 OAL UNN A 347 3.345 17.959 17.185 1.00 -0.40 O HETATM 1877 N UNN A 347 2.719 19.904 18.049 1.00 -0.25 N HETATM 1878 CA UNN A 347 3.925 20.539 17.538 1.00 0.12 C HETATM 1879 C UNN A 347 4.986 20.523 18.653 1.00 0.20 C HETATM 1880 O UNN A 347 4.749 20.087 19.785 1.00 -0.39 O HETATM 1881 NAP UNN A 347 6.215 20.819 18.285 1.00 -0.26 N HETATM 1882 CAQ UNN A 347 7.410 20.681 19.083 1.00 0.04 C HETATM 1883 CAR UNN A 347 8.362 21.743 18.536 1.00 -0.03 C HETATM 1884 CAS UNN A 347 8.200 21.006 17.184 1.00 -0.02 C HETATM 1885 CAT UNN A 347 6.628 21.151 16.929 1.00 0.08 C HETATM 1886 CAU UNN A 347 6.355 22.684 16.832 1.00 -0.01 C HETATM 1887 CAX UNN A 347 5.971 23.572 17.853 1.00 -0.06 C HETATM 1888 CAW UNN A 347 5.692 24.906 17.563 1.00 -0.07 C HETATM 1889 CAV UNN A 347 5.700 25.373 16.257 1.00 -0.07 C HETATM 1890 CAY UNN A 347 6.009 24.502 15.225 1.00 -0.06 C HETATM 1891 CAZ UNN A 347 6.307 23.169 15.505 1.00 0.02 C HETATM 1892 BR UNN A 347 6.705 22.065 13.997 1.00 -0.06 BR HETATM 1893 H23 UNN A 347 6.019 24.857 14.201 1.00 0.06 H HETATM 1894 H22 UNN A 347 5.466 26.410 16.046 1.00 0.06 H HETATM 1895 H21 UNN A 347 5.465 25.591 18.372 1.00 0.06 H HETATM 1896 H20 UNN A 347 5.891 23.216 18.874 1.00 0.06 H HETATM 1897 H19 UNN A 347 6.203 20.548 16.113 1.00 0.07 H HETATM 1898 H17 UNN A 347 8.499 19.950 17.263 1.00 0.03 H HETATM 1899 H18 UNN A 347 8.783 21.493 16.388 1.00 0.03 H HETATM 1900 H15 UNN A 347 9.377 21.724 18.960 1.00 0.03 H HETATM 1901 H16 UNN A 347 7.975 22.773 18.556 1.00 0.03 H HETATM 1902 H13 UNN A 347 7.841 19.676 18.966 1.00 0.05 H HETATM 1903 H14 UNN A 347 7.191 20.865 20.145 1.00 0.05 H HETATM 1904 H11 UNN A 347 3.705 21.577 17.248 1.00 0.08 H HETATM 1905 H12 UNN A 347 4.296 19.985 16.663 1.00 0.08 H HETATM 1906 H10 UNN A 347 2.023 20.444 18.522 1.00 0.19 H HETATM 1907 H9 UNN A 347 0.793 18.719 18.832 1.00 0.19 H HETATM 1908 H7 UNN A 347 0.149 16.558 17.709 1.00 0.07 H HETATM 1909 H8 UNN A 347 1.891 16.124 17.781 1.00 0.07 H HETATM 1910 H6 UNN A 347 -0.879 15.071 19.258 1.00 0.05 H HETATM 1911 H5 UNN A 347 -1.220 14.243 21.558 1.00 0.05 H HETATM 1912 H2 UNN A 347 2.291 16.344 22.835 1.00 0.05 H HETATM 1913 H1 UNN A 347 2.626 17.182 20.530 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1864 1865 1872 1913 CONECT 1865 1864 1866 1912 CONECT 1866 1865 1867 1870 CONECT 1867 1866 1868 1869 CONECT 1868 1867 CONECT 1869 1867 CONECT 1870 1866 1871 1911 CONECT 1871 1870 1872 1910 CONECT 1872 1864 1871 1873 CONECT 1873 1872 1874 1908 1909 CONECT 1874 1873 1875 1907 CONECT 1875 1874 1876 1877 CONECT 1876 1875 CONECT 1877 1875 1878 1906 CONECT 1878 1877 1879 1904 1905 CONECT 1879 1878 1880 1881 CONECT 1880 1879 CONECT 1881 1879 1882 1885 CONECT 1882 1881 1883 1902 1903 CONECT 1883 1882 1884 1900 1901 CONECT 1884 1883 1885 1898 1899 CONECT 1885 1881 1884 1886 1897 CONECT 1886 1885 1887 1891 CONECT 1887 1886 1888 1896 CONECT 1888 1887 1889 1895 CONECT 1889 1888 1890 1894 CONECT 1890 1889 1891 1893 CONECT 1891 1886 1890 1892 CONECT 1892 1891 CONECT 1893 1890 CONECT 1894 1889 CONECT 1895 1888 CONECT 1896 1887 CONECT 1897 1885 CONECT 1898 1884 CONECT 1899 1884 CONECT 1900 1883 CONECT 1901 1883 CONECT 1902 1882 CONECT 1903 1882 CONECT 1904 1878 CONECT 1905 1878 CONECT 1906 1877 CONECT 1907 1874 CONECT 1908 1873 CONECT 1909 1873 CONECT 1910 1871 CONECT 1911 1870 CONECT 1912 1865 CONECT 1913 1864 MASTER 0 0 0 0 0 0 0 0 1912 1 54 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4j5d
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%
4j5b
RCSB PDB
PDBbind
164aa, >4J5B_1|Chain... at 100%
4j5c
RCSB PDB
PDBbind
164aa, >4J5C_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
4j5d
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
728
EC.Number
E.C.5.2.1.8
Resolution
1.32(Å)
Affinity (Kd/Ki/IC50)
IC50=1.1uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
2
0
H
2
3
BrN
4
O
2
Molecular Weight
431.326
Exact Mass
430.100
No. of atoms
50
No. of bonds
52
Polar Surface Area
87.46
LOGP Value
2.42 (
Computed with XLOGP3
)
4.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
O=C(NCc1ccc(cc1)N)NCC(=O)N1CCC[C@@H]1c1ccccc1Br
InChI String
InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)/t18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓