Browse entries in the PDBbind-CN Database
HEADER 5ZA9_COMPLEX COMPND 5ZA9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 U 245 ILE ILE GLY GLY GLU PHE THR THR ILE GLU ASN GLN PRO SEQRES 2 U 245 TRP PHE ALA ALA ILE TYR ARG ARG HIS ARG GLY GLY SER SEQRES 3 U 245 VAL THR TYR VAL CYS GLY GLY SER LEU ILE SER PRO CYS SEQRES 4 U 245 TRP VAL ILE SER ALA THR HIS CYS PHE ILE ASP TYR PRO SEQRES 5 U 245 LYS LYS GLU ASP TYR ILE VAL TYR LEU GLY ARG SER ARG SEQRES 6 U 245 LEU ASN SER ASN THR GLN GLY GLU MET LYS PHE GLU VAL SEQRES 7 U 245 GLU ASN LEU ILE LEU HIS LYS ASP TYR SER ALA ASP THR SEQRES 8 U 245 LEU ALA HIS HIS ASN ASP ILE ALA LEU LEU LYS ILE ARG SEQRES 9 U 245 SER LYS GLU GLY ARG CYS ALA GLN PRO SER ARG THR ILE SEQRES 10 U 245 GLN THR ILE ALA LEU PRO SER MET TYR ASN ASP PRO GLN SEQRES 11 U 245 PHE GLY THR SER CYS GLU ILE THR GLY PHE GLY LYS GLU SEQRES 12 U 245 GLN SER THR ASP TYR LEU TYR PRO GLU GLN LEU LYS MET SEQRES 13 U 245 THR VAL VAL LYS LEU ILE SER HIS ARG GLU CYS GLN GLN SEQRES 14 U 245 PRO HIS TYR TYR GLY SER GLU VAL THR THR LYS MET LEU SEQRES 15 U 245 CYS ALA ALA ASP PRO GLN TRP LYS THR ASP SER CYS GLN SEQRES 16 U 245 GLY ASP SER GLY GLY PRO LEU VAL CYS SER LEU GLN GLY SEQRES 17 U 245 ARG MET THR LEU THR GLY ILE VAL SER TRP GLY ARG GLY SEQRES 18 U 245 CYS ALA LEU LYS ASP LYS PRO GLY VAL TYR THR ARG VAL SEQRES 19 U 245 SER HIS PHE LEU PRO TRP ILE ARG SER HIS THR HET UNN A 352 53 SSBOND 1 CYS U 42 CYS U 58 SSBOND 2 CYS U 50 CYS U 111 SSBOND 3 CYS U 168 CYS U 182 SSBOND 4 CYS U 136 CYS U 201 SSBOND 5 CYS U 191 CYS U 220 ATOM 1 N ILE U 16 34.379 9.123 -8.116 1.00 18.26 N ATOM 2 CA ILE U 16 35.760 9.659 -8.025 1.00 18.24 C ATOM 3 C ILE U 16 36.578 9.165 -9.217 1.00 18.35 C ATOM 4 O ILE U 16 36.745 7.958 -9.393 1.00 17.83 O ATOM 5 CB ILE U 16 36.456 9.231 -6.714 1.00 18.47 C ATOM 6 CG1 ILE U 16 35.655 9.709 -5.486 1.00 19.25 C ATOM 7 CG2 ILE U 16 37.899 9.731 -6.654 1.00 19.16 C ATOM 8 CD1 ILE U 16 35.707 11.199 -5.216 1.00 19.41 C ATOM 9 HN3 ILE U 16 34.411 8.084 -8.108 1.00 0.00 H ATOM 10 HN2 ILE U 16 33.939 9.451 -8.999 1.00 0.00 H ATOM 11 HN1 ILE U 16 33.823 9.460 -7.304 1.00 0.00 H ATOM 12 N ILE U 17 37.065 10.107 -10.018 1.00 18.62 N ATOM 13 CA ILE U 17 37.974 9.823 -11.125 1.00 19.23 C ATOM 14 C ILE U 17 39.366 9.741 -10.529 1.00 19.42 C ATOM 15 O ILE U 17 39.765 10.646 -9.794 1.00 19.37 O ATOM 16 CB ILE U 17 38.006 10.950 -12.191 1.00 19.42 C ATOM 17 CG1 ILE U 17 36.599 11.381 -12.623 1.00 19.90 C ATOM 18 CG2 ILE U 17 38.865 10.532 -13.386 1.00 19.58 C ATOM 19 CD1 ILE U 17 35.696 10.258 -13.075 1.00 20.33 C ATOM 20 H ILE U 17 36.785 11.094 -9.848 1.00 0.00 H ATOM 21 N GLY U 18 40.094 8.667 -10.826 1.00 18.74 N ATOM 22 CA GLY U 18 41.437 8.487 -10.289 1.00 19.44 C ATOM 23 C GLY U 18 41.374 8.199 -8.800 1.00 20.07 C ATOM 24 O GLY U 18 40.444 7.534 -8.334 1.00 20.64 O ATOM 25 H GLY U 18 39.696 7.941 -11.455 1.00 0.00 H ATOM 26 N GLY U 19 42.348 8.706 -8.050 1.00 20.39 N ATOM 27 CA GLY U 19 42.408 8.463 -6.612 1.00 20.61 C ATOM 28 C GLY U 19 42.638 7.005 -6.273 1.00 22.15 C ATOM 29 O GLY U 19 43.246 6.266 -7.050 1.00 22.15 O ATOM 30 H GLY U 19 43.084 9.289 -8.498 1.00 0.00 H ATOM 31 N GLU U 20 42.124 6.585 -5.123 1.00 22.71 N ATOM 32 CA GLU U 20 42.382 5.250 -4.602 1.00 24.11 C ATOM 33 C GLU U 20 41.149 4.697 -3.921 1.00 23.19 C ATOM 34 O GLU U 20 40.302 5.454 -3.433 1.00 22.41 O ATOM 35 CB GLU U 20 43.564 5.289 -3.628 1.00 26.43 C ATOM 36 CG GLU U 20 43.406 6.255 -2.453 1.00 29.18 C ATOM 37 CD GLU U 20 44.735 6.762 -1.903 1.00 32.00 C ATOM 38 OE1 GLU U 20 45.012 6.510 -0.716 1.00 35.39 O ATOM 39 OE2 GLU U 20 45.502 7.418 -2.648 1.00 35.92 O ATOM 40 H GLU U 20 41.518 7.230 -4.577 1.00 0.00 H ATOM 41 N PHE U 21 41.037 3.372 -3.892 1.00 22.28 N ATOM 42 CA PHE U 21 39.990 2.740 -3.102 1.00 22.46 C ATOM 43 C PHE U 21 40.340 2.871 -1.638 1.00 23.10 C ATOM 44 O PHE U 21 41.512 2.945 -1.267 1.00 25.50 O ATOM 45 CB PHE U 21 39.796 1.285 -3.490 1.00 23.11 C ATOM 46 CG PHE U 21 39.220 1.128 -4.851 1.00 22.68 C ATOM 47 CD1 PHE U 21 37.855 1.283 -5.056 1.00 22.87 C ATOM 48 CD2 PHE U 21 40.042 0.885 -5.941 1.00 23.49 C ATOM 49 CE1 PHE U 21 37.310 1.165 -6.326 1.00 23.41 C ATOM 50 CE2 PHE U 21 39.507 0.772 -7.208 1.00 23.14 C ATOM 51 CZ PHE U 21 38.143 0.907 -7.403 1.00 23.36 C ATOM 52 H PHE U 21 41.701 2.785 -4.436 1.00 0.00 H ATOM 53 N THR U 22 39.304 2.946 -0.821 1.00 22.86 N ATOM 54 CA THR U 22 39.459 3.143 0.605 1.00 22.90 C ATOM 55 C THR U 22 38.386 2.340 1.304 1.00 22.34 C ATOM 56 O THR U 22 37.607 1.646 0.662 1.00 22.35 O ATOM 57 CB THR U 22 39.383 4.640 0.968 1.00 23.54 C ATOM 58 OG1 THR U 22 39.743 4.820 2.342 1.00 24.54 O ATOM 59 CG2 THR U 22 37.976 5.224 0.719 1.00 23.03 C ATOM 60 HG1 THR U 22 39.118 4.310 2.915 1.00 0.00 H ATOM 61 H THR U 22 38.345 2.861 -1.215 1.00 0.00 H ATOM 62 N THR U 23 38.380 2.401 2.625 1.00 22.32 N ATOM 63 CA THR U 23 37.317 1.821 3.423 1.00 22.24 C ATOM 64 C THR U 23 36.814 2.888 4.360 1.00 21.07 C ATOM 65 O THR U 23 37.461 3.906 4.570 1.00 20.61 O ATOM 66 CB THR U 23 37.798 0.631 4.270 1.00 24.00 C ATOM 67 OG1 THR U 23 38.950 1.033 5.017 1.00 24.59 O ATOM 68 CG2 THR U 23 38.112 -0.575 3.394 1.00 24.99 C ATOM 69 HG1 THR U 23 39.268 0.273 5.566 1.00 0.00 H ATOM 70 H THR U 23 39.165 2.882 3.109 1.00 0.00 H ATOM 71 N ILE U 24 35.650 2.630 4.933 1.00 20.95 N ATOM 72 CA ILE U 24 34.976 3.618 5.773 1.00 20.89 C ATOM 73 C ILE U 24 35.812 4.094 6.982 1.00 20.85 C ATOM 74 O ILE U 24 35.671 5.227 7.400 1.00 19.74 O ATOM 75 CB ILE U 24 33.574 3.106 6.183 1.00 21.02 C ATOM 76 CG1 ILE U 24 32.682 4.244 6.689 1.00 21.68 C ATOM 77 CG2 ILE U 24 33.664 1.950 7.174 1.00 21.12 C ATOM 78 CD1 ILE U 24 32.308 5.257 5.633 1.00 21.68 C ATOM 79 H ILE U 24 35.204 1.703 4.782 1.00 0.00 H ATOM 80 N GLU U 25 36.719 3.265 7.502 1.00 21.57 N ATOM 81 CA GLU U 25 37.594 3.695 8.617 1.00 22.71 C ATOM 82 C GLU U 25 38.380 4.977 8.330 1.00 22.60 C ATOM 83 O GLU U 25 38.651 5.761 9.248 1.00 24.11 O ATOM 84 CB GLU U 25 38.590 2.590 9.008 1.00 24.11 C ATOM 85 CG GLU U 25 37.956 1.371 9.664 1.00 25.86 C ATOM 86 CD GLU U 25 37.541 0.283 8.691 1.00 27.23 C ATOM 87 OE1 GLU U 25 37.369 0.575 7.486 1.00 29.18 O ATOM 88 OE2 GLU U 25 37.392 -0.874 9.133 1.00 30.22 O ATOM 89 H GLU U 25 36.813 2.303 7.119 1.00 0.00 H ATOM 90 N ASN U 26 38.748 5.164 7.080 1.00 21.89 N ATOM 91 CA ASN U 26 39.417 6.332 6.624 1.00 22.46 C ATOM 92 C ASN U 26 38.572 7.604 6.584 1.00 23.14 C ATOM 93 O ASN U 26 39.112 8.670 6.654 1.00 26.75 O ATOM 94 CB ASN U 26 40.160 6.107 5.314 1.00 22.61 C ATOM 95 CG ASN U 26 41.427 5.307 5.503 1.00 23.15 C ATOM 96 OD1 ASN U 26 42.081 5.451 6.486 1.00 23.88 O ATOM 97 ND2 ASN U 26 41.700 4.423 4.588 1.00 23.24 N ATOM 98 HD22 ASN U 26 41.093 4.340 3.747 1.00 0.00 H ATOM 99 HD21 ASN U 26 42.525 3.799 4.697 1.00 0.00 H ATOM 100 H ASN U 26 38.538 4.416 6.388 1.00 0.00 H ATOM 101 N GLN U 27 37.284 7.448 6.342 1.00 21.30 N ATOM 102 CA GLN U 27 36.355 8.563 6.220 1.00 20.95 C ATOM 103 C GLN U 27 35.073 8.232 6.963 1.00 18.94 C ATOM 104 O GLN U 27 34.050 8.133 6.448 1.00 18.00 O ATOM 105 CB GLN U 27 36.040 8.819 4.759 1.00 22.43 C ATOM 106 CG GLN U 27 37.165 9.352 3.955 1.00 24.91 C ATOM 107 CD GLN U 27 37.405 10.846 4.179 1.00 25.98 C ATOM 108 OE1 GLN U 27 38.478 11.221 4.463 1.00 29.50 O ATOM 109 NE2 GLN U 27 36.401 11.654 4.056 1.00 27.55 N ATOM 110 HE22 GLN U 27 35.463 11.283 3.802 1.00 0.00 H ATOM 111 HE21 GLN U 27 36.532 12.674 4.211 1.00 0.00 H ATOM 112 H GLN U 27 36.914 6.482 6.233 1.00 0.00 H ATOM 113 N PRO U 28 35.275 8.107 8.340 1.00 17.98 N ATOM 114 CA PRO U 28 34.176 7.482 9.085 1.00 17.56 C ATOM 115 C PRO U 28 32.877 8.295 9.245 1.00 17.25 C ATOM 116 O PRO U 28 31.921 7.833 9.763 1.00 17.32 O ATOM 117 CB PRO U 28 34.791 7.162 10.443 1.00 17.79 C ATOM 118 CG PRO U 28 35.815 8.182 10.634 1.00 17.84 C ATOM 119 CD PRO U 28 36.460 8.262 9.332 1.00 18.27 C ATOM 120 N TRP U 29 32.937 9.532 8.857 1.00 16.73 N ATOM 121 CA TRP U 29 31.785 10.450 8.787 1.00 17.03 C ATOM 122 C TRP U 29 30.998 10.312 7.489 1.00 16.45 C ATOM 123 O TRP U 29 29.954 10.955 7.356 1.00 15.74 O ATOM 124 CB TRP U 29 32.252 11.907 8.931 1.00 17.82 C ATOM 125 CG TRP U 29 33.432 12.218 8.067 1.00 19.20 C ATOM 126 CD1 TRP U 29 33.423 12.540 6.745 1.00 20.18 C ATOM 127 CD2 TRP U 29 34.808 12.199 8.471 1.00 19.91 C ATOM 128 NE1 TRP U 29 34.708 12.740 6.300 1.00 21.66 N ATOM 129 CE2 TRP U 29 35.579 12.522 7.339 1.00 20.80 C ATOM 130 CE3 TRP U 29 35.460 11.931 9.685 1.00 20.62 C ATOM 131 CZ2 TRP U 29 36.980 12.603 7.383 1.00 21.58 C ATOM 132 CZ3 TRP U 29 36.850 12.003 9.729 1.00 21.65 C ATOM 133 CH2 TRP U 29 37.593 12.336 8.583 1.00 21.45 C ATOM 134 HE1 TRP U 29 34.977 13.012 5.333 1.00 0.00 H ATOM 135 H TRP U 29 33.866 9.903 8.574 1.00 0.00 H ATOM 136 N PHE U 30 31.480 9.508 6.538 1.00 15.70 N ATOM 137 CA PHE U 30 30.821 9.415 5.228 1.00 15.46 C ATOM 138 C PHE U 30 29.498 8.670 5.341 1.00 15.07 C ATOM 139 O PHE U 30 29.445 7.569 5.885 1.00 15.45 O ATOM 140 CB PHE U 30 31.702 8.728 4.182 1.00 15.44 C ATOM 141 CG PHE U 30 31.056 8.655 2.831 1.00 15.43 C ATOM 142 CD1 PHE U 30 31.035 9.776 2.012 1.00 15.87 C ATOM 143 CD2 PHE U 30 30.435 7.492 2.394 1.00 16.04 C ATOM 144 CE1 PHE U 30 30.416 9.732 0.772 1.00 16.22 C ATOM 145 CE2 PHE U 30 29.807 7.449 1.162 1.00 16.12 C ATOM 146 CZ PHE U 30 29.802 8.570 0.352 1.00 15.78 C ATOM 147 H PHE U 30 32.331 8.941 6.727 1.00 0.00 H ATOM 148 N ALA U 31 28.438 9.282 4.804 1.00 14.84 N ATOM 149 CA ALA U 31 27.089 8.720 4.816 1.00 14.99 C ATOM 150 C ALA U 31 26.705 8.364 3.398 1.00 15.48 C ATOM 151 O ALA U 31 26.944 9.163 2.483 1.00 15.44 O ATOM 152 CB ALA U 31 26.090 9.721 5.376 1.00 14.86 C ATOM 153 H ALA U 31 28.581 10.208 4.353 1.00 0.00 H ATOM 154 N ALA U 32 26.117 7.178 3.235 1.00 15.58 N ATOM 155 CA ALA U 32 25.655 6.663 1.941 1.00 15.97 C ATOM 156 C ALA U 32 24.137 6.755 1.892 1.00 16.62 C ATOM 157 O ALA U 32 23.450 6.145 2.719 1.00 15.85 O ATOM 158 CB ALA U 32 26.097 5.221 1.762 1.00 16.14 C ATOM 159 H ALA U 32 25.978 6.582 4.076 1.00 0.00 H ATOM 160 N ILE U 33 23.618 7.532 0.937 1.00 16.41 N ATOM 161 CA ILE U 33 22.184 7.850 0.889 1.00 16.78 C ATOM 162 C ILE U 33 21.549 7.179 -0.329 1.00 17.23 C ATOM 163 O ILE U 33 22.042 7.335 -1.447 1.00 17.78 O ATOM 164 CB ILE U 33 21.933 9.377 0.879 1.00 16.78 C ATOM 165 CG1 ILE U 33 22.671 10.044 2.054 1.00 16.93 C ATOM 166 CG2 ILE U 33 20.435 9.673 0.960 1.00 16.65 C ATOM 167 CD1 ILE U 33 22.760 11.558 1.973 1.00 17.43 C ATOM 168 H ILE U 33 24.247 7.923 0.207 1.00 0.00 H ATOM 169 N TYR U 34 20.471 6.432 -0.086 1.00 18.10 N ATOM 170 CA TYR U 34 19.767 5.655 -1.110 1.00 19.21 C ATOM 171 C TYR U 34 18.298 6.036 -1.139 1.00 20.50 C ATOM 172 O TYR U 34 17.781 6.579 -0.166 1.00 19.74 O ATOM 173 CB TYR U 34 19.840 4.150 -0.820 1.00 18.90 C ATOM 174 CG TYR U 34 21.226 3.545 -0.752 1.00 18.53 C ATOM 175 CD1 TYR U 34 22.048 3.768 0.352 1.00 18.90 C ATOM 176 CD2 TYR U 34 21.708 2.720 -1.775 1.00 18.70 C ATOM 177 CE1 TYR U 34 23.313 3.210 0.432 1.00 18.86 C ATOM 178 CE2 TYR U 34 22.974 2.157 -1.697 1.00 18.86 C ATOM 179 CZ TYR U 34 23.768 2.408 -0.583 1.00 18.94 C ATOM 180 OH TYR U 34 25.029 1.867 -0.469 1.00 19.28 O ATOM 181 HH TYR U 34 24.966 0.879 -0.487 1.00 0.00 H ATOM 182 H TYR U 34 20.108 6.399 0.888 1.00 0.00 H ATOM 183 N ARG U 35 17.628 5.708 -2.247 1.00 22.98 N ATOM 184 CA ARG U 35 16.191 5.971 -2.403 1.00 26.34 C ATOM 185 C ARG U 35 15.437 4.686 -2.719 1.00 27.83 C ATOM 186 O ARG U 35 15.892 3.892 -3.542 1.00 26.10 O ATOM 187 CB ARG U 35 15.935 6.993 -3.516 1.00 28.07 C ATOM 188 CG ARG U 35 14.472 7.414 -3.640 1.00 30.69 C ATOM 189 CD ARG U 35 14.299 8.687 -4.452 1.00 32.02 C ATOM 190 NE ARG U 35 14.617 8.477 -5.865 1.00 34.93 N ATOM 191 CZ ARG U 35 13.812 7.905 -6.765 1.00 37.30 C ATOM 192 NH1 ARG U 35 12.599 7.456 -6.432 1.00 38.81 N ATOM 193 NH2 ARG U 35 14.230 7.773 -8.019 1.00 39.16 N ATOM 194 HE ARG U 35 15.548 8.800 -6.197 1.00 0.00 H ATOM 195 HH12 ARG U 35 11.992 7.015 -7.152 1.00 0.00 H ATOM 196 HH11 ARG U 35 12.261 7.548 -5.453 1.00 0.00 H ATOM 197 HH22 ARG U 35 13.613 7.329 -8.729 1.00 0.00 H ATOM 198 HH21 ARG U 35 15.174 8.113 -8.291 1.00 0.00 H ATOM 199 H ARG U 35 18.142 5.250 -3.027 1.00 0.00 H ATOM 200 N ARG U 36 14.285 4.513 -2.067 1.00 30.89 N ATOM 201 CA ARG U 36 13.355 3.416 -2.348 1.00 35.68 C ATOM 202 C ARG U 36 12.526 3.791 -3.562 1.00 38.35 C ATOM 203 O ARG U 36 11.978 4.891 -3.613 1.00 40.20 O ATOM 204 CB ARG U 36 12.381 3.196 -1.185 1.00 37.76 C ATOM 205 CG ARG U 36 12.986 2.895 0.175 1.00 39.72 C ATOM 206 CD ARG U 36 11.898 2.965 1.241 1.00 40.99 C ATOM 207 NE ARG U 36 12.332 2.420 2.530 1.00 42.53 N ATOM 208 CZ ARG U 36 12.663 3.120 3.620 1.00 43.58 C ATOM 209 NH1 ARG U 36 12.626 4.454 3.645 1.00 44.66 N ATOM 210 NH2 ARG U 36 13.038 2.466 4.720 1.00 43.76 N ATOM 211 HE ARG U 36 12.388 1.384 2.605 1.00 0.00 H ATOM 212 HH12 ARG U 36 12.891 4.965 4.511 1.00 0.00 H ATOM 213 HH11 ARG U 36 12.333 4.982 2.798 1.00 0.00 H ATOM 214 HH22 ARG U 36 13.299 2.995 5.576 1.00 0.00 H ATOM 215 HH21 ARG U 36 13.070 1.426 4.722 1.00 0.00 H ATOM 216 H ARG U 36 14.034 5.192 -1.321 1.00 0.00 H ATOM 217 N HIS U 37 12.422 2.882 -4.526 1.00 42.25 N ATOM 218 CA HIS U 37 11.555 3.086 -5.683 1.00 45.71 C ATOM 219 C HIS U 37 10.186 2.474 -5.430 1.00 49.55 C ATOM 220 O HIS U 37 10.074 1.412 -4.808 1.00 50.20 O ATOM 221 CB HIS U 37 12.161 2.472 -6.946 1.00 46.29 C ATOM 222 CG HIS U 37 13.160 3.353 -7.622 1.00 47.59 C ATOM 223 ND1 HIS U 37 14.275 3.848 -6.980 1.00 48.87 N ATOM 224 CD2 HIS U 37 13.211 3.828 -8.888 1.00 48.62 C ATOM 225 CE1 HIS U 37 14.966 4.594 -7.823 1.00 48.15 C ATOM 226 NE2 HIS U 37 14.344 4.597 -8.987 1.00 49.26 N ATOM 227 H HIS U 37 12.972 2.003 -4.454 1.00 0.00 H ATOM 228 N ARG U 37A 9.150 3.186 -5.871 1.00 54.16 N ATOM 229 CA ARG U 37A 7.849 2.588 -6.176 1.00 56.66 C ATOM 230 C ARG U 37A 8.053 1.265 -6.940 1.00 56.81 C ATOM 231 O ARG U 37A 8.553 1.257 -8.068 1.00 58.64 O ATOM 232 CB ARG U 37A 6.946 3.580 -6.951 1.00 58.78 C ATOM 233 CG ARG U 37A 7.411 4.042 -8.341 1.00 60.72 C ATOM 234 CD ARG U 37A 8.363 5.238 -8.344 1.00 62.34 C ATOM 235 NE ARG U 37A 9.460 5.078 -9.308 1.00 63.43 N ATOM 236 CZ ARG U 37A 10.226 6.066 -9.782 1.00 64.02 C ATOM 237 NH1 ARG U 37A 10.052 7.329 -9.396 1.00 64.97 N ATOM 238 NH2 ARG U 37A 11.187 5.788 -10.661 1.00 64.48 N ATOM 239 HE ARG U 37A 9.657 4.116 -9.650 1.00 0.00 H ATOM 240 HH12 ARG U 37A 10.662 8.079 -9.780 1.00 0.00 H ATOM 241 HH11 ARG U 37A 9.306 7.565 -8.710 1.00 0.00 H ATOM 242 HH22 ARG U 37A 11.787 6.551 -11.034 1.00 0.00 H ATOM 243 HH21 ARG U 37A 11.338 4.808 -10.974 1.00 0.00 H ATOM 244 H ARG U 37A 9.271 4.210 -6.004 1.00 0.00 H ATOM 245 N GLY U 37B 7.717 0.148 -6.295 1.00 55.87 N ATOM 246 CA GLY U 37B 8.007 -1.187 -6.830 1.00 55.97 C ATOM 247 C GLY U 37B 8.880 -2.009 -5.897 1.00 55.22 C ATOM 248 O GLY U 37B 8.675 -3.217 -5.765 1.00 57.19 O ATOM 249 H GLY U 37B 7.231 0.226 -5.379 1.00 0.00 H ATOM 250 N GLY U 37C 9.866 -1.361 -5.272 1.00 53.35 N ATOM 251 CA GLY U 37C 10.661 -1.970 -4.196 1.00 50.51 C ATOM 252 C GLY U 37C 12.174 -1.865 -4.318 1.00 47.58 C ATOM 253 O GLY U 37C 12.880 -2.053 -3.322 1.00 48.07 O ATOM 254 H GLY U 37C 10.081 -0.385 -5.558 1.00 0.00 H ATOM 255 N SER U 37D 12.682 -1.581 -5.519 1.00 44.12 N ATOM 256 CA SER U 37D 14.131 -1.480 -5.736 1.00 42.04 C ATOM 257 C SER U 37D 14.718 -0.270 -5.003 1.00 38.66 C ATOM 258 O SER U 37D 14.026 0.727 -4.789 1.00 37.60 O ATOM 259 CB SER U 37D 14.463 -1.412 -7.232 1.00 42.39 C ATOM 260 OG SER U 37D 13.773 -0.356 -7.873 1.00 42.99 O ATOM 261 HG SER U 37D 14.011 -0.343 -8.834 1.00 0.00 H ATOM 262 H SER U 37D 12.037 -1.428 -6.320 1.00 0.00 H ATOM 263 N VAL U 38 15.984 -0.388 -4.605 1.00 35.65 N ATOM 264 CA VAL U 38 16.696 0.660 -3.867 1.00 33.76 C ATOM 265 C VAL U 38 17.958 1.032 -4.642 1.00 31.71 C ATOM 266 O VAL U 38 18.783 0.161 -4.920 1.00 32.37 O ATOM 267 CB VAL U 38 17.077 0.184 -2.447 1.00 33.98 C ATOM 268 CG1 VAL U 38 17.761 1.300 -1.657 1.00 33.38 C ATOM 269 CG2 VAL U 38 15.843 -0.329 -1.714 1.00 34.33 C ATOM 270 H VAL U 38 16.492 -1.267 -4.829 1.00 0.00 H ATOM 271 N THR U 39 18.102 2.317 -4.984 1.00 28.65 N ATOM 272 CA THR U 39 19.242 2.808 -5.768 1.00 26.32 C ATOM 273 C THR U 39 20.026 3.863 -4.992 1.00 23.74 C ATOM 274 O THR U 39 19.476 4.533 -4.119 1.00 22.87 O ATOM 275 CB THR U 39 18.778 3.442 -7.089 1.00 27.20 C ATOM 276 OG1 THR U 39 17.880 4.522 -6.806 1.00 27.14 O ATOM 277 CG2 THR U 39 18.075 2.409 -7.971 1.00 28.16 C ATOM 278 HG1 THR U 39 17.580 4.932 -7.656 1.00 0.00 H ATOM 279 H THR U 39 17.376 2.997 -4.682 1.00 0.00 H ATOM 280 N TYR U 40 21.308 4.003 -5.318 1.00 21.84 N ATOM 281 CA TYR U 40 22.155 5.011 -4.678 1.00 20.56 C ATOM 282 C TYR U 40 21.813 6.408 -5.191 1.00 21.01 C ATOM 283 O TYR U 40 21.589 6.600 -6.393 1.00 21.00 O ATOM 284 CB TYR U 40 23.626 4.725 -4.934 1.00 20.33 C ATOM 285 CG TYR U 40 24.559 5.567 -4.096 1.00 19.09 C ATOM 286 CD1 TYR U 40 24.638 5.387 -2.710 1.00 18.76 C ATOM 287 CD2 TYR U 40 25.373 6.530 -4.678 1.00 18.47 C ATOM 288 CE1 TYR U 40 25.498 6.151 -1.938 1.00 17.82 C ATOM 289 CE2 TYR U 40 26.240 7.301 -3.910 1.00 18.34 C ATOM 290 CZ TYR U 40 26.303 7.103 -2.543 1.00 17.63 C ATOM 291 OH TYR U 40 27.158 7.861 -1.783 1.00 16.32 O ATOM 292 HH TYR U 40 28.088 7.717 -2.091 1.00 0.00 H ATOM 293 H TYR U 40 21.718 3.382 -6.044 1.00 0.00 H ATOM 294 N VAL U 41 21.795 7.374 -4.277 1.00 20.39 N ATOM 295 CA VAL U 41 21.465 8.765 -4.598 1.00 20.79 C ATOM 296 C VAL U 41 22.715 9.634 -4.540 1.00 19.69 C ATOM 297 O VAL U 41 23.161 10.164 -5.563 1.00 19.00 O ATOM 298 CB VAL U 41 20.371 9.302 -3.646 1.00 21.79 C ATOM 299 CG1 VAL U 41 20.154 10.808 -3.807 1.00 22.62 C ATOM 300 CG2 VAL U 41 19.075 8.547 -3.892 1.00 22.75 C ATOM 301 H VAL U 41 22.025 7.132 -3.292 1.00 0.00 H ATOM 302 N CYS U 42 23.282 9.766 -3.342 1.00 18.45 N ATOM 303 CA CYS U 42 24.330 10.748 -3.083 1.00 18.81 C ATOM 304 C CYS U 42 25.073 10.398 -1.798 1.00 17.01 C ATOM 305 O CYS U 42 24.613 9.579 -1.004 1.00 16.94 O ATOM 306 CB CYS U 42 23.720 12.148 -2.917 1.00 20.34 C ATOM 307 SG CYS U 42 23.385 13.035 -4.455 1.00 23.54 S ATOM 308 H CYS U 42 22.968 9.149 -2.566 1.00 0.00 H ATOM 309 N GLY U 43 26.213 11.047 -1.609 1.00 15.87 N ATOM 310 CA GLY U 43 26.939 11.007 -0.348 1.00 15.73 C ATOM 311 C GLY U 43 26.442 12.052 0.642 1.00 15.69 C ATOM 312 O GLY U 43 25.591 12.886 0.337 1.00 15.64 O ATOM 313 H GLY U 43 26.604 11.607 -2.393 1.00 0.00 H ATOM 314 N GLY U 44 26.987 11.991 1.844 1.00 15.36 N ATOM 315 CA GLY U 44 26.690 12.959 2.897 1.00 15.20 C ATOM 316 C GLY U 44 27.766 12.846 3.960 1.00 15.69 C ATOM 317 O GLY U 44 28.636 11.980 3.848 1.00 15.78 O ATOM 318 H GLY U 44 27.656 11.221 2.049 1.00 0.00 H ATOM 319 N SER U 45 27.708 13.711 4.973 1.00 15.94 N ATOM 320 CA SER U 45 28.657 13.683 6.086 1.00 16.53 C ATOM 321 C SER U 45 27.929 13.799 7.411 1.00 16.68 C ATOM 322 O SER U 45 27.039 14.642 7.557 1.00 16.37 O ATOM 323 CB SER U 45 29.655 14.829 5.985 1.00 16.77 C ATOM 324 OG SER U 45 30.328 14.812 4.751 1.00 17.29 O ATOM 325 HG SER U 45 29.670 14.900 4.016 1.00 0.00 H ATOM 326 H SER U 45 26.960 14.433 4.972 1.00 0.00 H ATOM 327 N LEU U 46 28.321 12.965 8.372 1.00 16.74 N ATOM 328 CA LEU U 46 27.732 12.974 9.708 1.00 18.01 C ATOM 329 C LEU U 46 28.383 14.104 10.491 1.00 18.41 C ATOM 330 O LEU U 46 29.595 14.083 10.728 1.00 18.46 O ATOM 331 CB LEU U 46 27.963 11.636 10.423 1.00 18.54 C ATOM 332 CG LEU U 46 27.207 11.426 11.744 1.00 19.48 C ATOM 333 CD1 LEU U 46 25.722 11.200 11.499 1.00 19.58 C ATOM 334 CD2 LEU U 46 27.795 10.255 12.518 1.00 19.82 C ATOM 335 H LEU U 46 29.076 12.281 8.163 1.00 0.00 H ATOM 336 N ILE U 47 27.582 15.096 10.875 1.00 19.03 N ATOM 337 CA ILE U 47 28.076 16.240 11.650 1.00 20.22 C ATOM 338 C ILE U 47 27.672 16.205 13.126 1.00 20.86 C ATOM 339 O ILE U 47 28.246 16.920 13.932 1.00 20.98 O ATOM 340 CB ILE U 47 27.702 17.598 11.011 1.00 20.35 C ATOM 341 CG1 ILE U 47 26.182 17.780 10.869 1.00 20.76 C ATOM 342 CG2 ILE U 47 28.388 17.735 9.655 1.00 20.26 C ATOM 343 CD1 ILE U 47 25.774 19.204 10.553 1.00 20.94 C ATOM 344 H ILE U 47 26.575 15.059 10.618 1.00 0.00 H ATOM 345 N SER U 48 26.682 15.388 13.466 1.00 22.04 N ATOM 346 CA SER U 48 26.382 15.061 14.857 1.00 23.29 C ATOM 347 C SER U 48 25.650 13.719 14.828 1.00 23.83 C ATOM 348 O SER U 48 25.254 13.276 13.747 1.00 23.25 O ATOM 349 CB SER U 48 25.554 16.176 15.505 1.00 24.99 C ATOM 350 OG SER U 48 24.292 16.269 14.899 1.00 26.19 O ATOM 351 HG SER U 48 23.812 15.409 15.005 1.00 0.00 H ATOM 352 H SER U 48 26.100 14.966 12.715 1.00 0.00 H ATOM 353 N PRO U 49 25.468 13.056 15.992 1.00 23.64 N ATOM 354 CA PRO U 49 24.842 11.735 15.960 1.00 24.11 C ATOM 355 C PRO U 49 23.518 11.634 15.187 1.00 24.25 C ATOM 356 O PRO U 49 23.272 10.596 14.571 1.00 24.80 O ATOM 357 CB PRO U 49 24.650 11.409 17.448 1.00 24.60 C ATOM 358 CG PRO U 49 25.816 12.080 18.088 1.00 24.28 C ATOM 359 CD PRO U 49 25.958 13.382 17.347 1.00 24.47 C ATOM 360 N CYS U 50 22.692 12.685 15.200 1.00 24.78 N ATOM 361 CA CYS U 50 21.386 12.657 14.527 1.00 25.29 C ATOM 362 C CYS U 50 21.319 13.408 13.188 1.00 23.15 C ATOM 363 O CYS U 50 20.264 13.412 12.569 1.00 21.69 O ATOM 364 CB CYS U 50 20.298 13.209 15.459 1.00 28.23 C ATOM 365 SG CYS U 50 20.209 12.408 17.079 1.00 32.28 S ATOM 366 H CYS U 50 22.982 13.549 15.702 1.00 0.00 H ATOM 367 N TRP U 51 22.424 14.005 12.733 1.00 21.54 N ATOM 368 CA TRP U 51 22.403 14.894 11.559 1.00 21.44 C ATOM 369 C TRP U 51 23.453 14.574 10.494 1.00 19.92 C ATOM 370 O TRP U 51 24.659 14.558 10.773 1.00 19.05 O ATOM 371 CB TRP U 51 22.578 16.336 12.007 1.00 22.21 C ATOM 372 CG TRP U 51 21.394 16.856 12.742 1.00 23.56 C ATOM 373 CD1 TRP U 51 21.234 16.966 14.098 1.00 24.77 C ATOM 374 CD2 TRP U 51 20.189 17.331 12.155 1.00 24.01 C ATOM 375 NE1 TRP U 51 19.998 17.489 14.387 1.00 24.99 N ATOM 376 CE2 TRP U 51 19.337 17.729 13.211 1.00 25.14 C ATOM 377 CE3 TRP U 51 19.745 17.468 10.833 1.00 24.66 C ATOM 378 CZ2 TRP U 51 18.062 18.252 12.984 1.00 24.86 C ATOM 379 CZ3 TRP U 51 18.477 17.990 10.605 1.00 24.91 C ATOM 380 CH2 TRP U 51 17.651 18.380 11.681 1.00 24.97 C ATOM 381 HE1 TRP U 51 19.625 17.673 15.340 1.00 0.00 H ATOM 382 H TRP U 51 23.326 13.837 13.222 1.00 0.00 H ATOM 383 N VAL U 52 22.977 14.369 9.269 1.00 18.53 N ATOM 384 CA VAL U 52 23.835 14.219 8.092 1.00 18.05 C ATOM 385 C VAL U 52 23.654 15.444 7.208 1.00 17.85 C ATOM 386 O VAL U 52 22.534 15.903 7.003 1.00 17.42 O ATOM 387 CB VAL U 52 23.498 12.931 7.320 1.00 18.51 C ATOM 388 CG1 VAL U 52 24.177 12.899 5.954 1.00 18.31 C ATOM 389 CG2 VAL U 52 23.895 11.710 8.148 1.00 18.90 C ATOM 390 H VAL U 52 21.946 14.313 9.141 1.00 0.00 H ATOM 391 N ILE U 53 24.761 15.965 6.683 1.00 17.26 N ATOM 392 CA ILE U 53 24.719 17.102 5.771 1.00 17.11 C ATOM 393 C ILE U 53 25.064 16.633 4.355 1.00 16.97 C ATOM 394 O ILE U 53 25.941 15.794 4.165 1.00 16.39 O ATOM 395 CB ILE U 53 25.625 18.255 6.256 1.00 17.95 C ATOM 396 CG1 ILE U 53 25.217 19.590 5.613 1.00 18.21 C ATOM 397 CG2 ILE U 53 27.107 17.960 6.031 1.00 17.95 C ATOM 398 CD1 ILE U 53 25.864 20.790 6.279 1.00 19.01 C ATOM 399 H ILE U 53 25.682 15.549 6.930 1.00 0.00 H ATOM 400 N SER U 54 24.358 17.180 3.376 1.00 16.03 N ATOM 401 CA SER U 54 24.469 16.747 1.980 1.00 15.72 C ATOM 402 C SER U 54 24.131 17.939 1.071 1.00 15.64 C ATOM 403 O SER U 54 24.253 19.090 1.498 1.00 15.39 O ATOM 404 CB SER U 54 23.552 15.547 1.727 1.00 15.79 C ATOM 405 OG SER U 54 23.800 14.949 0.466 1.00 16.14 O ATOM 406 HG SER U 54 24.738 14.636 0.429 1.00 0.00 H ATOM 407 H SER U 54 23.697 17.949 3.608 1.00 0.00 H ATOM 408 N ALA U 55 23.764 17.659 -0.184 1.00 16.15 N ATOM 409 CA ALA U 55 23.437 18.677 -1.187 1.00 16.47 C ATOM 410 C ALA U 55 21.942 18.630 -1.532 1.00 16.86 C ATOM 411 O ALA U 55 21.390 17.560 -1.738 1.00 17.33 O ATOM 412 CB ALA U 55 24.261 18.433 -2.444 1.00 16.83 C ATOM 413 H ALA U 55 23.707 16.659 -0.465 1.00 0.00 H ATOM 414 N THR U 56 21.299 19.797 -1.606 1.00 16.66 N ATOM 415 CA THR U 56 19.864 19.881 -1.955 1.00 16.94 C ATOM 416 C THR U 56 19.542 19.249 -3.316 1.00 16.84 C ATOM 417 O THR U 56 18.504 18.606 -3.454 1.00 17.48 O ATOM 418 CB THR U 56 19.345 21.347 -1.884 1.00 17.14 C ATOM 419 OG1 THR U 56 19.092 21.693 -0.519 1.00 17.33 O ATOM 420 CG2 THR U 56 18.042 21.553 -2.653 1.00 17.33 C ATOM 421 HG1 THR U 56 19.930 21.612 0.002 1.00 0.00 H ATOM 422 H THR U 56 21.823 20.674 -1.412 1.00 0.00 H ATOM 423 N HIS U 57 20.415 19.403 -4.309 1.00 17.96 N ATOM 424 CA HIS U 57 20.105 18.904 -5.668 1.00 19.20 C ATOM 425 C HIS U 57 19.922 17.387 -5.735 1.00 20.06 C ATOM 426 O HIS U 57 19.316 16.874 -6.684 1.00 20.98 O ATOM 427 CB HIS U 57 21.141 19.375 -6.712 1.00 19.26 C ATOM 428 CG HIS U 57 22.336 18.477 -6.870 1.00 19.63 C ATOM 429 ND1 HIS U 57 23.591 18.829 -6.428 1.00 20.01 N ATOM 430 CD2 HIS U 57 22.477 17.274 -7.478 1.00 19.90 C ATOM 431 CE1 HIS U 57 24.446 17.866 -6.723 1.00 19.78 C ATOM 432 NE2 HIS U 57 23.795 16.911 -7.362 1.00 19.77 N ATOM 433 H HIS U 57 21.323 19.878 -4.129 1.00 0.00 H ATOM 434 N CYS U 58 20.454 16.677 -4.742 1.00 20.78 N ATOM 435 CA CYS U 58 20.271 15.238 -4.625 1.00 21.69 C ATOM 436 C CYS U 58 18.818 14.822 -4.394 1.00 22.41 C ATOM 437 O CYS U 58 18.425 13.715 -4.773 1.00 23.28 O ATOM 438 CB CYS U 58 21.138 14.704 -3.486 1.00 22.13 C ATOM 439 SG CYS U 58 22.912 14.887 -3.798 1.00 23.04 S ATOM 440 H CYS U 58 21.022 17.169 -4.023 1.00 0.00 H ATOM 441 N PHE U 59 18.039 15.702 -3.764 1.00 22.83 N ATOM 442 CA PHE U 59 16.698 15.393 -3.270 1.00 23.14 C ATOM 443 C PHE U 59 15.567 16.184 -3.915 1.00 24.87 C ATOM 444 O PHE U 59 14.404 15.844 -3.719 1.00 24.76 O ATOM 445 CB PHE U 59 16.656 15.674 -1.773 1.00 22.55 C ATOM 446 CG PHE U 59 17.775 15.033 -1.019 1.00 22.40 C ATOM 447 CD1 PHE U 59 17.725 13.682 -0.702 1.00 22.65 C ATOM 448 CD2 PHE U 59 18.893 15.764 -0.653 1.00 22.14 C ATOM 449 CE1 PHE U 59 18.766 13.073 -0.019 1.00 23.19 C ATOM 450 CE2 PHE U 59 19.938 15.160 0.030 1.00 22.17 C ATOM 451 CZ PHE U 59 19.873 13.815 0.346 1.00 22.18 C ATOM 452 H PHE U 59 18.406 16.664 -3.615 1.00 0.00 H ATOM 453 N ILE U 60 15.888 17.203 -4.663 1.00 27.27 N ATOM 454 CA ILE U 60 14.902 18.174 -5.067 1.00 29.93 C ATOM 455 C ILE U 60 13.835 17.583 -5.974 1.00 31.69 C ATOM 456 O ILE U 60 12.715 18.006 -5.954 1.00 31.72 O ATOM 457 CB ILE U 60 15.590 19.395 -5.636 1.00 30.68 C ATOM 458 CG1 ILE U 60 14.672 20.603 -5.634 1.00 31.61 C ATOM 459 CG2 ILE U 60 16.122 19.050 -6.989 1.00 31.23 C ATOM 460 CD1 ILE U 60 14.359 21.164 -4.296 1.00 32.05 C ATOM 461 H ILE U 60 16.874 17.317 -4.974 1.00 0.00 H ATOM 462 N ASP U 60A 14.206 16.621 -6.775 1.00 34.65 N ATOM 463 CA ASP U 60A 13.273 15.846 -7.592 1.00 36.53 C ATOM 464 C ASP U 60A 12.294 14.959 -6.832 1.00 36.75 C ATOM 465 O ASP U 60A 11.186 14.784 -7.238 1.00 36.15 O ATOM 466 CB ASP U 60A 14.004 15.009 -8.611 1.00 39.13 C ATOM 467 CG ASP U 60A 14.673 15.825 -9.679 1.00 40.69 C ATOM 468 OD1 ASP U 60A 14.633 17.038 -9.650 1.00 42.83 O ATOM 469 OD2 ASP U 60A 15.224 15.216 -10.585 1.00 43.53 O ATOM 470 H ASP U 60A 15.219 16.394 -6.835 1.00 0.00 H ATOM 471 N TYR U 60B 12.754 14.364 -5.748 1.00 36.06 N ATOM 472 CA TYR U 60B 11.978 13.435 -4.979 1.00 35.86 C ATOM 473 C TYR U 60B 12.077 13.868 -3.532 1.00 34.65 C ATOM 474 O TYR U 60B 12.736 13.259 -2.725 1.00 33.17 O ATOM 475 CB TYR U 60B 12.561 12.054 -5.138 1.00 38.17 C ATOM 476 CG TYR U 60B 12.286 11.424 -6.459 1.00 39.78 C ATOM 477 CD1 TYR U 60B 13.189 11.495 -7.479 1.00 40.74 C ATOM 478 CD2 TYR U 60B 11.106 10.750 -6.687 1.00 41.43 C ATOM 479 CE1 TYR U 60B 12.932 10.913 -8.689 1.00 42.02 C ATOM 480 CE2 TYR U 60B 10.850 10.161 -7.899 1.00 42.10 C ATOM 481 CZ TYR U 60B 11.758 10.251 -8.891 1.00 42.41 C ATOM 482 OH TYR U 60B 11.498 9.662 -10.090 1.00 44.59 O ATOM 483 HH TYR U 60B 12.258 9.819 -10.705 1.00 0.00 H ATOM 484 H TYR U 60B 13.723 14.578 -5.437 1.00 0.00 H ATOM 485 N PRO U 60C 11.330 15.005 -3.242 1.00 33.35 N ATOM 486 CA PRO U 60C 11.615 15.581 -1.919 1.00 33.86 C ATOM 487 C PRO U 60C 10.844 15.053 -0.736 1.00 34.43 C ATOM 488 O PRO U 60C 10.571 15.753 0.164 1.00 37.24 O ATOM 489 CB PRO U 60C 11.320 17.049 -2.089 1.00 34.18 C ATOM 490 CG PRO U 60C 10.287 17.140 -3.138 1.00 33.81 C ATOM 491 CD PRO U 60C 10.378 15.983 -4.004 1.00 34.12 C ATOM 492 N LYS U 61 10.529 13.795 -0.740 1.00 34.17 N ATOM 493 CA LYS U 61 9.793 13.170 0.323 1.00 34.44 C ATOM 494 C LYS U 61 10.753 12.358 1.198 1.00 32.52 C ATOM 495 O LYS U 61 11.372 11.501 0.723 1.00 32.49 O ATOM 496 CB LYS U 61 8.799 12.238 -0.326 1.00 36.49 C ATOM 497 CG LYS U 61 7.711 11.677 0.550 1.00 39.84 C ATOM 498 CD LYS U 61 6.819 10.745 -0.251 1.00 41.89 C ATOM 499 CE LYS U 61 6.173 9.687 0.619 1.00 43.62 C ATOM 500 NZ LYS U 61 5.150 8.922 -0.140 1.00 44.95 N ATOM 501 HZ1 LYS U 61 4.412 9.573 -0.477 1.00 0.00 H ATOM 502 HZ2 LYS U 61 5.600 8.455 -0.953 1.00 0.00 H ATOM 503 HZ3 LYS U 61 4.724 8.204 0.481 1.00 0.00 H ATOM 504 H LYS U 61 10.823 13.212 -1.550 1.00 0.00 H ATOM 505 N LYS U 62 10.797 12.636 2.478 1.00 31.72 N ATOM 506 CA LYS U 62 11.732 11.993 3.395 1.00 31.68 C ATOM 507 C LYS U 62 11.579 10.493 3.529 1.00 31.54 C ATOM 508 O LYS U 62 12.526 9.780 3.687 1.00 28.53 O ATOM 509 CB LYS U 62 11.685 12.630 4.764 1.00 33.38 C ATOM 510 CG LYS U 62 10.348 12.576 5.441 1.00 35.05 C ATOM 511 CD LYS U 62 10.363 13.329 6.741 1.00 37.32 C ATOM 512 CE LYS U 62 9.049 13.195 7.432 1.00 38.14 C ATOM 513 NZ LYS U 62 9.164 13.490 8.850 1.00 39.60 N ATOM 514 HZ1 LYS U 62 9.837 12.828 9.287 1.00 0.00 H ATOM 515 HZ2 LYS U 62 9.505 14.465 8.974 1.00 0.00 H ATOM 516 HZ3 LYS U 62 8.232 13.388 9.301 1.00 0.00 H ATOM 517 H LYS U 62 10.137 13.345 2.856 1.00 0.00 H ATOM 518 N GLU U 62A 10.305 10.033 3.422 1.00 30.63 N ATOM 519 CA GLU U 62A 10.032 8.609 3.532 1.00 31.34 C ATOM 520 C GLU U 62A 10.700 7.758 2.456 1.00 30.79 C ATOM 521 O GLU U 62A 10.816 6.586 2.607 1.00 30.83 O ATOM 522 CB GLU U 62A 8.531 8.346 3.526 1.00 32.21 C ATOM 523 CG GLU U 62A 7.828 8.965 4.689 1.00 33.12 C ATOM 524 CD GLU U 62A 7.489 10.438 4.497 1.00 34.80 C ATOM 525 OE1 GLU U 62A 7.698 10.976 3.410 1.00 34.62 O ATOM 526 OE2 GLU U 62A 6.971 11.036 5.457 1.00 36.59 O ATOM 527 H GLU U 62A 9.524 10.700 3.261 1.00 0.00 H ATOM 528 N ASP U 63 11.100 8.368 1.363 1.00 30.09 N ATOM 529 CA ASP U 63 11.694 7.649 0.275 1.00 30.94 C ATOM 530 C ASP U 63 13.149 7.221 0.513 1.00 27.93 C ATOM 531 O ASP U 63 13.652 6.464 -0.220 1.00 29.17 O ATOM 532 CB ASP U 63 11.649 8.483 -0.994 1.00 33.73 C ATOM 533 CG ASP U 63 10.248 8.706 -1.485 1.00 36.46 C ATOM 534 OD1 ASP U 63 9.402 7.926 -1.129 1.00 39.62 O ATOM 535 OD2 ASP U 63 10.006 9.668 -2.222 1.00 41.38 O ATOM 536 H ASP U 63 10.983 9.398 1.286 1.00 0.00 H ATOM 537 N TYR U 64 13.788 7.755 1.522 1.00 25.72 N ATOM 538 CA TYR U 64 15.250 7.661 1.652 1.00 23.96 C ATOM 539 C TYR U 64 15.746 6.764 2.774 1.00 23.65 C ATOM 540 O TYR U 64 15.104 6.610 3.809 1.00 24.57 O ATOM 541 CB TYR U 64 15.862 9.052 1.795 1.00 23.39 C ATOM 542 CG TYR U 64 15.654 9.886 0.561 1.00 22.59 C ATOM 543 CD1 TYR U 64 16.493 9.758 -0.537 1.00 22.24 C ATOM 544 CD2 TYR U 64 14.589 10.777 0.474 1.00 23.14 C ATOM 545 CE1 TYR U 64 16.290 10.505 -1.689 1.00 22.85 C ATOM 546 CE2 TYR U 64 14.377 11.530 -0.666 1.00 23.15 C ATOM 547 CZ TYR U 64 15.223 11.396 -1.747 1.00 23.06 C ATOM 548 OH TYR U 64 15.026 12.137 -2.890 1.00 22.79 O ATOM 549 HH TYR U 64 15.725 11.910 -3.554 1.00 0.00 H ATOM 550 H TYR U 64 13.247 8.260 2.253 1.00 0.00 H ATOM 551 N ILE U 65 16.902 6.160 2.524 1.00 22.28 N ATOM 552 CA ILE U 65 17.593 5.316 3.483 1.00 22.22 C ATOM 553 C ILE U 65 19.016 5.872 3.573 1.00 20.98 C ATOM 554 O ILE U 65 19.621 6.188 2.552 1.00 20.43 O ATOM 555 CB ILE U 65 17.621 3.847 3.016 1.00 23.80 C ATOM 556 CG1 ILE U 65 16.198 3.299 2.792 1.00 25.58 C ATOM 557 CG2 ILE U 65 18.357 2.983 4.030 1.00 24.17 C ATOM 558 CD1 ILE U 65 16.134 2.183 1.774 1.00 26.67 C ATOM 559 H ILE U 65 17.337 6.299 1.589 1.00 0.00 H ATOM 560 N VAL U 66 19.531 6.003 4.794 1.00 19.86 N ATOM 561 CA VAL U 66 20.890 6.469 5.027 1.00 19.06 C ATOM 562 C VAL U 66 21.666 5.374 5.752 1.00 19.09 C ATOM 563 O VAL U 66 21.173 4.807 6.735 1.00 20.23 O ATOM 564 CB VAL U 66 20.908 7.770 5.858 1.00 18.89 C ATOM 565 CG1 VAL U 66 22.341 8.224 6.130 1.00 19.28 C ATOM 566 CG2 VAL U 66 20.112 8.868 5.152 1.00 19.08 C ATOM 567 H VAL U 66 18.938 5.763 5.614 1.00 0.00 H ATOM 568 N TYR U 67 22.862 5.070 5.250 1.00 18.66 N ATOM 569 CA TYR U 67 23.785 4.165 5.932 1.00 19.11 C ATOM 570 C TYR U 67 25.006 4.930 6.417 1.00 18.80 C ATOM 571 O TYR U 67 25.515 5.813 5.727 1.00 17.94 O ATOM 572 CB TYR U 67 24.246 3.034 5.018 1.00 19.89 C ATOM 573 CG TYR U 67 23.192 2.015 4.689 1.00 20.86 C ATOM 574 CD1 TYR U 67 22.350 2.194 3.596 1.00 22.50 C ATOM 575 CD2 TYR U 67 23.052 0.853 5.452 1.00 22.08 C ATOM 576 CE1 TYR U 67 21.384 1.254 3.274 1.00 23.97 C ATOM 577 CE2 TYR U 67 22.087 -0.095 5.139 1.00 23.18 C ATOM 578 CZ TYR U 67 21.262 0.107 4.046 1.00 24.28 C ATOM 579 OH TYR U 67 20.301 -0.823 3.721 1.00 27.82 O ATOM 580 HH TYR U 67 19.808 -0.519 2.918 1.00 0.00 H ATOM 581 H TYR U 67 23.148 5.491 4.343 1.00 0.00 H ATOM 582 N LEU U 68 25.455 4.575 7.618 1.00 18.18 N ATOM 583 CA LEU U 68 26.745 4.965 8.146 1.00 18.37 C ATOM 584 C LEU U 68 27.556 3.688 8.345 1.00 17.87 C ATOM 585 O LEU U 68 26.996 2.597 8.497 1.00 17.52 O ATOM 586 CB LEU U 68 26.591 5.674 9.489 1.00 18.48 C ATOM 587 CG LEU U 68 25.703 6.919 9.516 1.00 19.33 C ATOM 588 CD1 LEU U 68 25.516 7.395 10.948 1.00 19.59 C ATOM 589 CD2 LEU U 68 26.307 8.009 8.653 1.00 19.57 C ATOM 590 H LEU U 68 24.842 3.982 8.213 1.00 0.00 H ATOM 591 N GLY U 69 28.873 3.830 8.329 1.00 18.22 N ATOM 592 CA GLY U 69 29.776 2.684 8.488 1.00 19.01 C ATOM 593 C GLY U 69 29.808 1.725 7.307 1.00 19.96 C ATOM 594 O GLY U 69 30.159 0.550 7.462 1.00 19.43 O ATOM 595 H GLY U 69 29.278 4.779 8.200 1.00 0.00 H ATOM 596 N ARG U 70 29.473 2.228 6.121 1.00 20.65 N ATOM 597 CA ARG U 70 29.348 1.402 4.918 1.00 22.01 C ATOM 598 C ARG U 70 30.469 1.702 3.913 1.00 22.08 C ATOM 599 O ARG U 70 30.666 2.859 3.512 1.00 21.27 O ATOM 600 CB ARG U 70 27.976 1.630 4.294 1.00 23.58 C ATOM 601 CG ARG U 70 27.576 0.592 3.266 1.00 25.53 C ATOM 602 CD ARG U 70 26.102 0.709 2.928 1.00 26.46 C ATOM 603 NE ARG U 70 25.724 -0.145 1.801 1.00 28.62 N ATOM 604 CZ ARG U 70 24.888 -1.188 1.832 1.00 29.42 C ATOM 605 NH1 ARG U 70 24.280 -1.592 2.953 1.00 30.58 N ATOM 606 NH2 ARG U 70 24.653 -1.852 0.701 1.00 30.91 N ATOM 607 HE ARG U 70 26.150 0.083 0.880 1.00 0.00 H ATOM 608 HH12 ARG U 70 23.637 -2.409 2.930 1.00 0.00 H ATOM 609 HH11 ARG U 70 24.450 -1.089 3.847 1.00 0.00 H ATOM 610 HH22 ARG U 70 24.006 -2.667 0.701 1.00 0.00 H ATOM 611 HH21 ARG U 70 25.116 -1.556 -0.182 1.00 0.00 H ATOM 612 H ARG U 70 29.293 3.249 6.045 1.00 0.00 H ATOM 613 N SER U 71 31.211 0.653 3.539 1.00 21.12 N ATOM 614 CA SER U 71 32.368 0.736 2.629 1.00 21.74 C ATOM 615 C SER U 71 32.056 0.260 1.211 1.00 21.16 C ATOM 616 O SER U 71 32.874 0.472 0.308 1.00 21.01 O ATOM 617 CB SER U 71 33.528 -0.127 3.145 1.00 22.15 C ATOM 618 OG SER U 71 34.143 0.407 4.294 1.00 23.81 O ATOM 619 HG SER U 71 34.880 -0.189 4.580 1.00 0.00 H ATOM 620 H SER U 71 30.955 -0.282 3.915 1.00 0.00 H ATOM 621 N ARG U 72 30.929 -0.423 1.025 1.00 21.15 N ATOM 622 CA ARG U 72 30.546 -0.955 -0.285 1.00 21.80 C ATOM 623 C ARG U 72 29.132 -0.564 -0.676 1.00 21.63 C ATOM 624 O ARG U 72 28.268 -0.376 0.173 1.00 21.27 O ATOM 625 CB ARG U 72 30.745 -2.470 -0.340 1.00 22.67 C ATOM 626 CG ARG U 72 32.221 -2.842 -0.382 1.00 23.72 C ATOM 627 CD ARG U 72 32.435 -4.336 -0.505 1.00 24.49 C ATOM 628 NE ARG U 72 32.093 -4.874 -1.825 1.00 24.91 N ATOM 629 CZ ARG U 72 32.852 -4.788 -2.923 1.00 25.31 C ATOM 630 NH1 ARG U 72 34.011 -4.130 -2.920 1.00 24.45 N ATOM 631 NH2 ARG U 72 32.432 -5.353 -4.053 1.00 26.00 N ATOM 632 HE ARG U 72 31.181 -5.365 -1.916 1.00 0.00 H ATOM 633 HH12 ARG U 72 34.582 -4.078 -3.788 1.00 0.00 H ATOM 634 HH11 ARG U 72 34.344 -3.668 -2.050 1.00 0.00 H ATOM 635 HH22 ARG U 72 33.014 -5.292 -4.913 1.00 0.00 H ATOM 636 HH21 ARG U 72 31.522 -5.855 -4.076 1.00 0.00 H ATOM 637 H ARG U 72 30.299 -0.584 1.837 1.00 0.00 H ATOM 638 N LEU U 73 28.911 -0.473 -1.981 1.00 22.12 N ATOM 639 CA LEU U 73 27.703 0.141 -2.528 1.00 23.54 C ATOM 640 C LEU U 73 26.471 -0.752 -2.373 1.00 24.73 C ATOM 641 O LEU U 73 25.416 -0.290 -1.956 1.00 24.40 O ATOM 642 CB LEU U 73 27.905 0.484 -4.019 1.00 24.74 C ATOM 643 CG LEU U 73 27.434 1.820 -4.611 1.00 26.80 C ATOM 644 CD1 LEU U 73 26.940 1.609 -6.036 1.00 26.65 C ATOM 645 CD2 LEU U 73 26.393 2.556 -3.791 1.00 27.00 C ATOM 646 H LEU U 73 29.623 -0.852 -2.638 1.00 0.00 H ATOM 647 N ASN U 74 26.618 -2.030 -2.711 1.00 26.65 N ATOM 648 CA ASN U 74 25.488 -2.962 -2.789 1.00 29.92 C ATOM 649 C ASN U 74 25.650 -4.201 -1.913 1.00 31.61 C ATOM 650 O ASN U 74 24.902 -5.173 -2.073 1.00 32.46 O ATOM 651 CB ASN U 74 25.246 -3.366 -4.251 1.00 31.52 C ATOM 652 CG ASN U 74 24.731 -2.220 -5.086 1.00 32.98 C ATOM 653 OD1 ASN U 74 23.629 -1.723 -4.850 1.00 36.25 O ATOM 654 ND2 ASN U 74 25.514 -1.793 -6.071 1.00 33.88 N ATOM 655 HD22 ASN U 74 26.437 -2.243 -6.234 1.00 0.00 H ATOM 656 HD21 ASN U 74 25.203 -1.009 -6.679 1.00 0.00 H ATOM 657 H ASN U 74 27.572 -2.382 -2.929 1.00 0.00 H ATOM 658 N SER U 75 26.608 -4.160 -0.986 1.00 32.23 N ATOM 659 CA SER U 75 26.794 -5.215 0.008 1.00 32.77 C ATOM 660 C SER U 75 26.953 -4.583 1.382 1.00 31.95 C ATOM 661 O SER U 75 27.356 -3.425 1.509 1.00 30.96 O ATOM 662 CB SER U 75 28.005 -6.087 -0.334 1.00 34.41 C ATOM 663 OG SER U 75 29.228 -5.407 -0.116 1.00 37.24 O ATOM 664 HG SER U 75 29.982 -6.004 -0.349 1.00 0.00 H ATOM 665 H SER U 75 27.250 -3.342 -0.970 1.00 0.00 H ATOM 666 N ASN U 76 26.625 -5.354 2.409 1.00 31.39 N ATOM 667 CA ASN U 76 26.622 -4.846 3.771 1.00 31.41 C ATOM 668 C ASN U 76 28.041 -4.901 4.323 1.00 30.17 C ATOM 669 O ASN U 76 28.802 -5.829 4.021 1.00 32.36 O ATOM 670 CB ASN U 76 25.627 -5.628 4.625 1.00 33.27 C ATOM 671 CG ASN U 76 24.221 -5.584 4.047 1.00 35.25 C ATOM 672 OD1 ASN U 76 23.640 -4.509 3.883 1.00 36.44 O ATOM 673 ND2 ASN U 76 23.684 -6.750 3.700 1.00 36.52 N ATOM 674 HD22 ASN U 76 24.211 -7.633 3.857 1.00 0.00 H ATOM 675 HD21 ASN U 76 22.737 -6.779 3.271 1.00 0.00 H ATOM 676 H ASN U 76 26.364 -6.346 2.236 1.00 0.00 H ATOM 677 N THR U 77 28.410 -3.860 5.059 1.00 26.89 N ATOM 678 CA THR U 77 29.694 -3.767 5.730 1.00 24.80 C ATOM 679 C THR U 77 29.468 -4.101 7.195 1.00 24.10 C ATOM 680 O THR U 77 28.527 -3.610 7.800 1.00 22.72 O ATOM 681 CB THR U 77 30.251 -2.335 5.640 1.00 25.17 C ATOM 682 OG1 THR U 77 30.440 -1.989 4.266 1.00 25.59 O ATOM 683 CG2 THR U 77 31.578 -2.199 6.383 1.00 24.62 C ATOM 684 HG1 THR U 77 30.798 -1.068 4.205 1.00 0.00 H ATOM 685 H THR U 77 27.743 -3.068 5.160 1.00 0.00 H ATOM 686 N GLN U 78 30.348 -4.913 7.762 1.00 22.98 N ATOM 687 CA GLN U 78 30.260 -5.263 9.175 1.00 23.08 C ATOM 688 C GLN U 78 30.312 -4.004 10.038 1.00 22.49 C ATOM 689 O GLN U 78 31.195 -3.169 9.863 1.00 22.06 O ATOM 690 CB GLN U 78 31.397 -6.209 9.550 1.00 23.84 C ATOM 691 CG GLN U 78 31.303 -6.745 10.959 1.00 24.19 C ATOM 692 CD GLN U 78 32.210 -7.931 11.168 1.00 24.25 C ATOM 693 OE1 GLN U 78 33.431 -7.797 11.152 1.00 23.61 O ATOM 694 NE2 GLN U 78 31.619 -9.103 11.358 1.00 25.02 N ATOM 695 HE22 GLN U 78 30.581 -9.167 11.363 1.00 0.00 H ATOM 696 HE21 GLN U 78 32.194 -9.958 11.502 1.00 0.00 H ATOM 697 H GLN U 78 31.118 -5.310 7.187 1.00 0.00 H ATOM 698 N GLY U 79 29.353 -3.874 10.955 1.00 22.46 N ATOM 699 CA GLY U 79 29.256 -2.713 11.839 1.00 22.30 C ATOM 700 C GLY U 79 28.459 -1.526 11.302 1.00 22.46 C ATOM 701 O GLY U 79 28.354 -0.511 11.981 1.00 22.56 O ATOM 702 H GLY U 79 28.644 -4.630 11.045 1.00 0.00 H ATOM 703 N GLU U 80 27.915 -1.632 10.113 1.00 22.73 N ATOM 704 CA GLU U 80 27.147 -0.544 9.544 1.00 22.88 C ATOM 705 C GLU U 80 25.812 -0.330 10.258 1.00 23.14 C ATOM 706 O GLU U 80 25.304 -1.223 10.856 1.00 22.97 O ATOM 707 CB GLU U 80 26.883 -0.815 8.067 1.00 23.97 C ATOM 708 CG GLU U 80 25.767 -1.769 7.799 1.00 25.07 C ATOM 709 CD GLU U 80 25.509 -2.081 6.347 1.00 26.70 C ATOM 710 OE1 GLU U 80 26.288 -1.697 5.514 1.00 27.44 O ATOM 711 OE2 GLU U 80 24.523 -2.730 6.058 1.00 28.35 O ATOM 712 H GLU U 80 28.037 -2.511 9.571 1.00 0.00 H ATOM 713 N MET U 81 25.257 0.874 10.141 1.00 22.56 N ATOM 714 CA MET U 81 23.974 1.237 10.716 1.00 23.15 C ATOM 715 C MET U 81 23.098 1.864 9.633 1.00 23.44 C ATOM 716 O MET U 81 23.580 2.591 8.839 1.00 22.15 O ATOM 717 CB MET U 81 24.146 2.249 11.836 1.00 24.32 C ATOM 718 CG MET U 81 24.947 1.798 13.018 1.00 26.19 C ATOM 719 SD MET U 81 24.854 2.877 14.492 1.00 28.38 S ATOM 720 CE MET U 81 23.168 2.674 15.019 1.00 30.54 C ATOM 721 H MET U 81 25.774 1.600 9.605 1.00 0.00 H ATOM 722 N LYS U 82 21.817 1.572 9.684 1.00 23.76 N ATOM 723 CA LYS U 82 20.849 1.971 8.693 1.00 24.00 C ATOM 724 C LYS U 82 19.792 2.822 9.349 1.00 23.59 C ATOM 725 O LYS U 82 19.354 2.549 10.414 1.00 23.20 O ATOM 726 CB LYS U 82 20.221 0.748 8.080 1.00 25.34 C ATOM 727 CG LYS U 82 19.085 0.977 7.127 1.00 27.13 C ATOM 728 CD LYS U 82 18.419 -0.343 6.772 1.00 28.99 C ATOM 729 CE LYS U 82 17.652 -0.249 5.484 1.00 30.80 C ATOM 730 NZ LYS U 82 16.553 -1.239 5.406 1.00 32.55 N ATOM 731 HZ1 LYS U 82 16.947 -2.199 5.476 1.00 0.00 H ATOM 732 HZ2 LYS U 82 15.887 -1.079 6.189 1.00 0.00 H ATOM 733 HZ3 LYS U 82 16.056 -1.132 4.499 1.00 0.00 H ATOM 734 H LYS U 82 21.479 1.015 10.495 1.00 0.00 H ATOM 735 N PHE U 83 19.443 3.889 8.690 1.00 22.64 N ATOM 736 CA PHE U 83 18.530 4.871 9.220 1.00 22.80 C ATOM 737 C PHE U 83 17.422 5.288 8.260 1.00 23.94 C ATOM 738 O PHE U 83 17.582 5.259 7.113 1.00 22.58 O ATOM 739 CB PHE U 83 19.265 6.121 9.668 1.00 22.88 C ATOM 740 CG PHE U 83 20.352 5.863 10.633 1.00 22.76 C ATOM 741 CD1 PHE U 83 21.587 5.590 10.199 1.00 22.00 C ATOM 742 CD2 PHE U 83 20.121 5.917 11.977 1.00 23.19 C ATOM 743 CE1 PHE U 83 22.574 5.317 11.079 1.00 22.64 C ATOM 744 CE2 PHE U 83 21.092 5.647 12.859 1.00 22.79 C ATOM 745 CZ PHE U 83 22.331 5.352 12.407 1.00 22.97 C ATOM 746 H PHE U 83 19.840 4.040 7.741 1.00 0.00 H ATOM 747 N GLU U 84 16.291 5.644 8.823 1.00 25.36 N ATOM 748 CA GLU U 84 15.288 6.390 8.125 1.00 27.14 C ATOM 749 C GLU U 84 15.563 7.874 8.268 1.00 25.82 C ATOM 750 O GLU U 84 16.313 8.265 9.083 1.00 24.31 O ATOM 751 CB GLU U 84 13.887 6.001 8.584 1.00 29.81 C ATOM 752 CG GLU U 84 13.393 4.759 7.845 1.00 33.49 C ATOM 753 CD GLU U 84 12.264 4.035 8.544 1.00 37.37 C ATOM 754 OE1 GLU U 84 12.249 3.956 9.781 1.00 41.00 O ATOM 755 OE2 GLU U 84 11.370 3.562 7.846 1.00 42.08 O ATOM 756 H GLU U 84 16.117 5.374 9.812 1.00 0.00 H ATOM 757 N VAL U 85 14.948 8.684 7.415 1.00 24.80 N ATOM 758 CA VAL U 85 15.088 10.110 7.476 1.00 25.33 C ATOM 759 C VAL U 85 13.912 10.720 8.210 1.00 26.09 C ATOM 760 O VAL U 85 12.873 10.799 7.689 1.00 26.52 O ATOM 761 CB VAL U 85 15.132 10.672 6.070 1.00 25.20 C ATOM 762 CG1 VAL U 85 15.300 12.169 6.098 1.00 25.28 C ATOM 763 CG2 VAL U 85 16.299 10.082 5.328 1.00 25.03 C ATOM 764 H VAL U 85 14.344 8.270 6.677 1.00 0.00 H ATOM 765 N GLU U 86 14.147 11.145 9.424 1.00 27.11 N ATOM 766 CA GLU U 86 13.153 11.835 10.219 1.00 28.78 C ATOM 767 C GLU U 86 12.773 13.242 9.710 1.00 28.94 C ATOM 768 O GLU U 86 11.646 13.623 9.769 1.00 28.91 O ATOM 769 CB GLU U 86 13.563 11.878 11.671 1.00 30.67 C ATOM 770 CG GLU U 86 12.592 12.598 12.544 1.00 32.30 C ATOM 771 CD GLU U 86 13.015 12.667 13.970 1.00 33.60 C ATOM 772 OE1 GLU U 86 14.036 12.125 14.320 1.00 35.24 O ATOM 773 OE2 GLU U 86 12.345 13.310 14.734 1.00 35.57 O ATOM 774 H GLU U 86 15.088 10.980 9.836 1.00 0.00 H ATOM 775 N ASN U 87 13.754 13.996 9.246 1.00 28.83 N ATOM 776 CA ASN U 87 13.512 15.287 8.660 1.00 28.84 C ATOM 777 C ASN U 87 14.373 15.437 7.442 1.00 26.18 C ATOM 778 O ASN U 87 15.486 15.095 7.492 1.00 25.63 O ATOM 779 CB ASN U 87 13.941 16.389 9.603 1.00 32.00 C ATOM 780 CG ASN U 87 13.123 16.462 10.861 1.00 35.87 C ATOM 781 OD1 ASN U 87 11.989 16.093 10.907 1.00 41.55 O ATOM 782 ND2 ASN U 87 13.719 16.999 11.873 1.00 35.91 N ATOM 783 HD22 ASN U 87 14.709 17.307 11.790 1.00 0.00 H ATOM 784 HD21 ASN U 87 13.209 17.123 12.771 1.00 0.00 H ATOM 785 H ASN U 87 14.731 13.645 9.306 1.00 0.00 H ATOM 786 N LEU U 88 13.867 16.032 6.395 1.00 23.46 N ATOM 787 CA LEU U 88 14.696 16.382 5.250 1.00 22.55 C ATOM 788 C LEU U 88 14.566 17.875 5.048 1.00 22.43 C ATOM 789 O LEU U 88 13.518 18.348 4.761 1.00 23.16 O ATOM 790 CB LEU U 88 14.254 15.624 4.018 1.00 22.52 C ATOM 791 CG LEU U 88 14.877 15.953 2.684 1.00 22.36 C ATOM 792 CD1 LEU U 88 16.333 15.620 2.705 1.00 22.58 C ATOM 793 CD2 LEU U 88 14.194 15.138 1.634 1.00 22.63 C ATOM 794 H LEU U 88 12.852 16.260 6.379 1.00 0.00 H ATOM 795 N ILE U 89 15.663 18.578 5.220 1.00 21.36 N ATOM 796 CA ILE U 89 15.687 20.036 5.202 1.00 21.45 C ATOM 797 C ILE U 89 16.521 20.521 4.019 1.00 21.10 C ATOM 798 O ILE U 89 17.739 20.364 4.007 1.00 20.18 O ATOM 799 CB ILE U 89 16.262 20.589 6.521 1.00 22.28 C ATOM 800 CG1 ILE U 89 15.382 20.154 7.700 1.00 22.63 C ATOM 801 CG2 ILE U 89 16.363 22.112 6.473 1.00 22.66 C ATOM 802 CD1 ILE U 89 15.993 20.410 9.058 1.00 22.92 C ATOM 803 H ILE U 89 16.557 18.070 5.376 1.00 0.00 H ATOM 804 N LEU U 90 15.847 21.099 3.028 1.00 21.05 N ATOM 805 CA LEU U 90 16.494 21.620 1.829 1.00 20.99 C ATOM 806 C LEU U 90 16.612 23.128 1.970 1.00 21.68 C ATOM 807 O LEU U 90 15.820 23.744 2.690 1.00 22.53 O ATOM 808 CB LEU U 90 15.687 21.240 0.589 1.00 21.14 C ATOM 809 CG LEU U 90 15.283 19.761 0.466 1.00 21.41 C ATOM 810 CD1 LEU U 90 14.530 19.522 -0.835 1.00 21.98 C ATOM 811 CD2 LEU U 90 16.501 18.852 0.548 1.00 21.51 C ATOM 812 H LEU U 90 14.814 21.183 3.112 1.00 0.00 H ATOM 813 N HIS U 91 17.595 23.726 1.298 1.00 20.84 N ATOM 814 CA HIS U 91 17.846 25.159 1.456 1.00 20.98 C ATOM 815 C HIS U 91 16.805 25.946 0.664 1.00 21.74 C ATOM 816 O HIS U 91 16.684 25.761 -0.536 1.00 20.10 O ATOM 817 CB HIS U 91 19.262 25.541 1.015 1.00 21.09 C ATOM 818 CG HIS U 91 19.730 26.842 1.586 1.00 20.87 C ATOM 819 ND1 HIS U 91 19.291 28.057 1.112 1.00 21.80 N ATOM 820 CD2 HIS U 91 20.569 27.122 2.610 1.00 21.04 C ATOM 821 CE1 HIS U 91 19.850 29.032 1.805 1.00 21.70 C ATOM 822 NE2 HIS U 91 20.634 28.491 2.719 1.00 21.30 N ATOM 823 H HIS U 91 18.191 23.168 0.654 1.00 0.00 H ATOM 824 N LYS U 92 16.061 26.805 1.360 1.00 23.90 N ATOM 825 CA LYS U 92 14.967 27.603 0.761 1.00 26.46 C ATOM 826 C LYS U 92 15.366 28.466 -0.449 1.00 25.91 C ATOM 827 O LYS U 92 14.550 28.714 -1.340 1.00 26.34 O ATOM 828 CB LYS U 92 14.315 28.493 1.835 1.00 28.74 C ATOM 829 CG LYS U 92 15.245 29.538 2.440 1.00 31.82 C ATOM 830 CD LYS U 92 14.585 30.391 3.514 1.00 34.89 C ATOM 831 CE LYS U 92 15.611 30.928 4.511 1.00 37.17 C ATOM 832 NZ LYS U 92 16.881 31.421 3.892 1.00 38.45 N ATOM 833 HZ1 LYS U 92 17.339 30.642 3.376 1.00 0.00 H ATOM 834 HZ2 LYS U 92 16.666 32.196 3.233 1.00 0.00 H ATOM 835 HZ3 LYS U 92 17.518 31.766 4.638 1.00 0.00 H ATOM 836 H LYS U 92 16.259 26.921 2.374 1.00 0.00 H ATOM 837 N ASP U 93 16.604 28.955 -0.438 1.00 25.74 N ATOM 838 CA ASP U 93 17.198 29.708 -1.552 1.00 25.55 C ATOM 839 C ASP U 93 17.962 28.886 -2.597 1.00 23.84 C ATOM 840 O ASP U 93 18.763 29.437 -3.358 1.00 23.22 O ATOM 841 CB ASP U 93 18.092 30.826 -0.995 1.00 27.24 C ATOM 842 CG ASP U 93 17.340 31.757 -0.053 1.00 28.97 C ATOM 843 OD1 ASP U 93 16.146 32.030 -0.308 1.00 29.86 O ATOM 844 OD2 ASP U 93 17.940 32.209 0.944 1.00 31.20 O ATOM 845 H ASP U 93 17.186 28.795 0.409 1.00 0.00 H ATOM 846 N TYR U 94 17.690 27.586 -2.670 1.00 23.50 N ATOM 847 CA TYR U 94 18.264 26.745 -3.717 1.00 23.21 C ATOM 848 C TYR U 94 17.837 27.242 -5.105 1.00 24.11 C ATOM 849 O TYR U 94 16.693 27.650 -5.301 1.00 22.61 O ATOM 850 CB TYR U 94 17.839 25.287 -3.535 1.00 22.96 C ATOM 851 CG TYR U 94 18.267 24.377 -4.657 1.00 23.66 C ATOM 852 CD1 TYR U 94 19.580 23.918 -4.745 1.00 23.92 C ATOM 853 CD2 TYR U 94 17.360 23.974 -5.642 1.00 24.06 C ATOM 854 CE1 TYR U 94 19.977 23.089 -5.781 1.00 24.69 C ATOM 855 CE2 TYR U 94 17.747 23.142 -6.675 1.00 24.42 C ATOM 856 CZ TYR U 94 19.057 22.697 -6.740 1.00 25.08 C ATOM 857 OH TYR U 94 19.454 21.864 -7.764 1.00 26.85 O ATOM 858 HH TYR U 94 20.414 21.646 -7.657 1.00 0.00 H ATOM 859 H TYR U 94 17.055 27.159 -1.966 1.00 0.00 H ATOM 860 N SER U 95 18.770 27.220 -6.048 1.00 25.19 N ATOM 861 CA SER U 95 18.461 27.504 -7.447 1.00 27.86 C ATOM 862 C SER U 95 19.447 26.762 -8.328 1.00 29.84 C ATOM 863 O SER U 95 20.616 26.619 -7.969 1.00 28.98 O ATOM 864 CB SER U 95 18.508 29.010 -7.737 1.00 28.76 C ATOM 865 OG SER U 95 19.840 29.485 -7.862 1.00 31.03 O ATOM 866 HG SER U 95 20.289 29.012 -8.606 1.00 0.00 H ATOM 867 H SER U 95 19.750 26.994 -5.783 1.00 0.00 H ATOM 868 N ALA U 96 19.000 26.332 -9.481 1.00 31.44 N ATOM 869 CA ALA U 96 19.922 25.744 -10.384 1.00 35.09 C ATOM 870 C ALA U 96 19.865 26.423 -11.727 1.00 39.20 C ATOM 871 O ALA U 96 18.805 26.702 -12.177 1.00 36.97 O ATOM 872 CB ALA U 96 19.579 24.297 -10.524 1.00 35.56 C ATOM 873 H ALA U 96 17.994 26.419 -9.729 1.00 0.00 H ATOM 874 N ASP U 97 21.009 26.709 -12.333 1.00 44.73 N ATOM 875 CA ASP U 97 21.049 26.943 -13.788 1.00 49.78 C ATOM 876 C ASP U 97 21.636 25.779 -14.542 1.00 51.57 C ATOM 877 O ASP U 97 21.732 24.695 -14.021 1.00 51.93 O ATOM 878 CB ASP U 97 21.671 28.266 -14.202 1.00 52.81 C ATOM 879 CG ASP U 97 23.127 28.321 -13.961 1.00 55.53 C ATOM 880 OD1 ASP U 97 23.799 27.389 -14.381 1.00 57.48 O ATOM 881 OD2 ASP U 97 23.597 29.309 -13.359 1.00 57.90 O ATOM 882 H ASP U 97 21.886 26.769 -11.777 1.00 0.00 H ATOM 883 N THR U 97A 22.091 26.020 -15.750 1.00 52.99 N ATOM 884 CA THR U 97A 22.439 24.925 -16.643 1.00 53.66 C ATOM 885 C THR U 97A 23.498 24.078 -15.967 1.00 53.14 C ATOM 886 O THR U 97A 23.479 22.857 -16.081 1.00 54.28 O ATOM 887 CB THR U 97A 22.957 25.418 -17.991 1.00 54.00 C ATOM 888 OG1 THR U 97A 21.910 26.122 -18.643 1.00 55.37 O ATOM 889 CG2 THR U 97A 23.347 24.290 -18.880 1.00 54.58 C ATOM 890 HG1 THR U 97A 22.230 26.449 -19.521 1.00 0.00 H ATOM 891 H THR U 97A 22.204 27.003 -16.072 1.00 0.00 H ATOM 892 N LEU U 97B 24.387 24.750 -15.254 1.00 50.83 N ATOM 893 CA LEU U 97B 25.472 24.106 -14.577 1.00 48.46 C ATOM 894 C LEU U 97B 25.371 24.284 -13.072 1.00 44.74 C ATOM 895 O LEU U 97B 25.241 23.342 -12.370 1.00 44.71 O ATOM 896 CB LEU U 97B 26.779 24.732 -15.058 1.00 50.17 C ATOM 897 CG LEU U 97B 27.806 23.934 -15.830 1.00 51.99 C ATOM 898 CD1 LEU U 97B 27.598 24.261 -17.297 1.00 52.56 C ATOM 899 CD2 LEU U 97B 29.178 24.441 -15.462 1.00 52.48 C ATOM 900 H LEU U 97B 24.294 25.783 -15.183 1.00 0.00 H ATOM 901 N ALA U 98 25.398 25.511 -12.603 1.00 40.34 N ATOM 902 CA ALA U 98 25.584 25.760 -11.213 1.00 37.97 C ATOM 903 C ALA U 98 24.367 25.498 -10.419 1.00 36.53 C ATOM 904 O ALA U 98 23.286 25.777 -10.849 1.00 36.87 O ATOM 905 CB ALA U 98 26.029 27.181 -10.979 1.00 37.96 C ATOM 906 H ALA U 98 25.282 26.312 -13.256 1.00 0.00 H ATOM 907 N HIS U 99 24.584 25.014 -9.219 1.00 32.59 N ATOM 908 CA HIS U 99 23.576 24.885 -8.186 1.00 31.52 C ATOM 909 C HIS U 99 23.968 25.860 -7.082 1.00 29.49 C ATOM 910 O HIS U 99 25.069 25.767 -6.539 1.00 29.24 O ATOM 911 CB HIS U 99 23.547 23.453 -7.654 1.00 32.68 C ATOM 912 CG HIS U 99 23.198 22.438 -8.696 1.00 34.51 C ATOM 913 ND1 HIS U 99 21.992 21.773 -8.716 1.00 36.26 N ATOM 914 CD2 HIS U 99 23.889 21.991 -9.770 1.00 37.12 C ATOM 915 CE1 HIS U 99 21.959 20.952 -9.750 1.00 36.93 C ATOM 916 NE2 HIS U 99 23.099 21.065 -10.405 1.00 37.95 N ATOM 917 H HIS U 99 25.549 24.700 -8.993 1.00 0.00 H ATOM 918 N HIS U 100 23.089 26.812 -6.781 1.00 26.20 N ATOM 919 CA HIS U 100 23.332 27.782 -5.711 1.00 25.22 C ATOM 920 C HIS U 100 22.673 27.288 -4.442 1.00 22.41 C ATOM 921 O HIS U 100 21.601 26.686 -4.502 1.00 20.71 O ATOM 922 CB HIS U 100 22.762 29.149 -6.077 1.00 27.01 C ATOM 923 CG HIS U 100 23.435 29.782 -7.250 1.00 29.67 C ATOM 924 ND1 HIS U 100 24.212 30.913 -7.134 1.00 31.99 N ATOM 925 CD2 HIS U 100 23.454 29.444 -8.560 1.00 31.01 C ATOM 926 CE1 HIS U 100 24.681 31.247 -8.323 1.00 32.44 C ATOM 927 NE2 HIS U 100 24.239 30.369 -9.206 1.00 32.01 N ATOM 928 H HIS U 100 22.203 26.869 -7.322 1.00 0.00 H ATOM 929 N ASN U 101 23.311 27.573 -3.306 1.00 20.18 N ATOM 930 CA ASN U 101 22.832 27.155 -1.987 1.00 20.21 C ATOM 931 C ASN U 101 22.540 25.660 -1.949 1.00 18.67 C ATOM 932 O ASN U 101 21.484 25.214 -1.488 1.00 19.56 O ATOM 933 CB ASN U 101 21.607 27.976 -1.585 1.00 20.54 C ATOM 934 CG ASN U 101 21.915 29.448 -1.509 1.00 21.64 C ATOM 935 OD1 ASN U 101 22.776 29.866 -0.742 1.00 22.59 O ATOM 936 ND2 ASN U 101 21.235 30.243 -2.320 1.00 22.46 N ATOM 937 HD22 ASN U 101 20.513 29.845 -2.954 1.00 0.00 H ATOM 938 HD21 ASN U 101 21.422 31.266 -2.323 1.00 0.00 H ATOM 939 H ASN U 101 24.194 28.120 -3.360 1.00 0.00 H ATOM 940 N ASP U 102 23.506 24.893 -2.442 1.00 18.28 N ATOM 941 CA ASP U 102 23.327 23.469 -2.633 1.00 17.66 C ATOM 942 C ASP U 102 23.738 22.732 -1.364 1.00 17.89 C ATOM 943 O ASP U 102 24.828 22.146 -1.276 1.00 17.91 O ATOM 944 CB ASP U 102 24.125 22.999 -3.856 1.00 17.84 C ATOM 945 CG ASP U 102 23.686 21.644 -4.364 1.00 17.80 C ATOM 946 OD1 ASP U 102 22.612 21.149 -3.961 1.00 18.18 O ATOM 947 OD2 ASP U 102 24.416 21.067 -5.203 1.00 17.97 O ATOM 948 H ASP U 102 24.416 25.327 -2.698 1.00 0.00 H ATOM 949 N ILE U 103 22.842 22.771 -0.384 1.00 17.47 N ATOM 950 CA ILE U 103 23.109 22.249 0.957 1.00 17.70 C ATOM 951 C ILE U 103 21.807 21.722 1.546 1.00 17.79 C ATOM 952 O ILE U 103 20.740 22.305 1.331 1.00 17.09 O ATOM 953 CB ILE U 103 23.790 23.331 1.841 1.00 17.76 C ATOM 954 CG1 ILE U 103 24.324 22.741 3.150 1.00 17.84 C ATOM 955 CG2 ILE U 103 22.858 24.505 2.131 1.00 18.12 C ATOM 956 CD1 ILE U 103 25.238 23.697 3.895 1.00 18.42 C ATOM 957 H ILE U 103 21.910 23.191 -0.578 1.00 0.00 H ATOM 958 N ALA U 104 21.889 20.595 2.246 1.00 17.56 N ATOM 959 CA ALA U 104 20.717 19.923 2.786 1.00 17.77 C ATOM 960 C ALA U 104 21.077 19.206 4.071 1.00 18.74 C ATOM 961 O ALA U 104 22.216 18.765 4.235 1.00 18.34 O ATOM 962 CB ALA U 104 20.168 18.930 1.783 1.00 18.37 C ATOM 963 H ALA U 104 22.827 20.178 2.414 1.00 0.00 H ATOM 964 N LEU U 105 20.100 19.106 4.969 1.00 18.33 N ATOM 965 CA LEU U 105 20.269 18.415 6.249 1.00 19.09 C ATOM 966 C LEU U 105 19.273 17.271 6.355 1.00 19.33 C ATOM 967 O LEU U 105 18.088 17.427 6.037 1.00 18.46 O ATOM 968 CB LEU U 105 20.094 19.388 7.413 1.00 19.86 C ATOM 969 CG LEU U 105 21.263 20.340 7.683 1.00 20.58 C ATOM 970 CD1 LEU U 105 20.810 21.495 8.567 1.00 21.17 C ATOM 971 CD2 LEU U 105 22.441 19.594 8.303 1.00 20.73 C ATOM 972 H LEU U 105 19.178 19.536 4.753 1.00 0.00 H ATOM 973 N LEU U 106 19.772 16.113 6.777 1.00 19.16 N ATOM 974 CA LEU U 106 18.966 14.936 7.008 1.00 19.89 C ATOM 975 C LEU U 106 19.084 14.586 8.480 1.00 20.73 C ATOM 976 O LEU U 106 20.189 14.312 8.960 1.00 19.88 O ATOM 977 CB LEU U 106 19.455 13.763 6.157 1.00 20.53 C ATOM 978 CG LEU U 106 19.263 13.868 4.637 1.00 21.18 C ATOM 979 CD1 LEU U 106 20.329 14.730 3.977 1.00 22.25 C ATOM 980 CD2 LEU U 106 19.265 12.482 4.020 1.00 22.42 C ATOM 981 H LEU U 106 20.796 16.051 6.950 1.00 0.00 H ATOM 982 N LYS U 107 17.961 14.623 9.198 1.00 20.91 N ATOM 983 CA LYS U 107 17.916 14.082 10.552 1.00 22.45 C ATOM 984 C LYS U 107 17.627 12.593 10.447 1.00 22.32 C ATOM 985 O LYS U 107 16.622 12.187 9.864 1.00 23.20 O ATOM 986 CB LYS U 107 16.853 14.764 11.413 1.00 23.71 C ATOM 987 CG LYS U 107 17.023 14.487 12.892 1.00 24.96 C ATOM 988 CD LYS U 107 16.041 15.282 13.728 1.00 25.76 C ATOM 989 CE LYS U 107 16.383 15.162 15.201 1.00 27.31 C ATOM 990 NZ LYS U 107 15.670 16.183 16.017 1.00 28.35 N ATOM 991 HZ1 LYS U 107 15.941 17.134 15.694 1.00 0.00 H ATOM 992 HZ2 LYS U 107 14.643 16.057 15.907 1.00 0.00 H ATOM 993 HZ3 LYS U 107 15.930 16.068 17.018 1.00 0.00 H ATOM 994 H LYS U 107 17.104 15.044 8.786 1.00 0.00 H ATOM 995 N ILE U 108 18.472 11.776 11.022 1.00 23.01 N ATOM 996 CA ILE U 108 18.398 10.346 10.882 1.00 23.80 C ATOM 997 C ILE U 108 17.890 9.702 12.127 1.00 25.08 C ATOM 998 O ILE U 108 18.174 10.117 13.175 1.00 24.94 O ATOM 999 CB ILE U 108 19.759 9.729 10.562 1.00 23.62 C ATOM 1000 CG1 ILE U 108 20.840 10.207 11.494 1.00 23.59 C ATOM 1001 CG2 ILE U 108 20.177 10.055 9.132 1.00 23.42 C ATOM 1002 CD1 ILE U 108 22.163 9.506 11.264 1.00 24.08 C ATOM 1003 H ILE U 108 19.232 12.179 11.607 1.00 0.00 H ATOM 1004 N ARG U 109 17.093 8.668 11.961 1.00 27.93 N ATOM 1005 CA ARG U 109 16.553 7.903 13.061 1.00 30.03 C ATOM 1006 C ARG U 109 16.366 6.468 12.650 1.00 28.87 C ATOM 1007 O ARG U 109 15.828 6.191 11.618 1.00 27.23 O ATOM 1008 CB ARG U 109 15.202 8.520 13.457 1.00 34.20 C ATOM 1009 CG ARG U 109 14.563 7.915 14.674 1.00 36.80 C ATOM 1010 CD ARG U 109 13.515 8.805 15.294 1.00 39.42 C ATOM 1011 NE ARG U 109 12.336 8.908 14.479 1.00 43.41 N ATOM 1012 CZ ARG U 109 11.216 9.527 14.863 1.00 45.28 C ATOM 1013 NH1 ARG U 109 11.155 10.075 16.054 1.00 46.47 N ATOM 1014 NH2 ARG U 109 10.174 9.591 14.070 1.00 46.34 N ATOM 1015 HE ARG U 109 12.356 8.475 13.534 1.00 0.00 H ATOM 1016 HH12 ARG U 109 10.287 10.559 16.360 1.00 0.00 H ATOM 1017 HH11 ARG U 109 11.975 10.026 16.692 1.00 0.00 H ATOM 1018 HH22 ARG U 109 9.310 10.077 14.385 1.00 0.00 H ATOM 1019 HH21 ARG U 109 10.211 9.156 13.126 1.00 0.00 H ATOM 1020 H ARG U 109 16.840 8.388 10.992 1.00 0.00 H ATOM 1021 N SER U 110 16.781 5.558 13.501 1.00 28.97 N ATOM 1022 CA SER U 110 16.644 4.153 13.226 1.00 30.48 C ATOM 1023 C SER U 110 15.194 3.634 13.456 1.00 32.61 C ATOM 1024 O SER U 110 14.400 4.323 14.021 1.00 32.45 O ATOM 1025 CB SER U 110 17.638 3.381 14.059 1.00 30.64 C ATOM 1026 OG SER U 110 17.126 3.168 15.324 1.00 30.18 O ATOM 1027 HG SER U 110 17.783 2.661 15.864 1.00 0.00 H ATOM 1028 H SER U 110 17.219 5.860 14.395 1.00 0.00 H ATOM 1029 N LYS U 110A 14.897 2.427 13.010 1.00 35.90 N ATOM 1030 CA LYS U 110A 13.561 1.864 13.116 1.00 39.58 C ATOM 1031 C LYS U 110A 13.204 1.825 14.563 1.00 40.79 C ATOM 1032 O LYS U 110A 12.063 1.859 14.905 1.00 43.16 O ATOM 1033 CB LYS U 110A 13.513 0.448 12.572 1.00 41.46 C ATOM 1034 CG LYS U 110A 12.837 0.279 11.234 1.00 44.10 C ATOM 1035 CD LYS U 110A 12.392 -1.176 11.050 1.00 46.28 C ATOM 1036 CE LYS U 110A 12.081 -1.550 9.603 1.00 48.06 C ATOM 1037 NZ LYS U 110A 11.579 -2.963 9.489 1.00 49.62 N ATOM 1038 HZ1 LYS U 110A 12.303 -3.617 9.848 1.00 0.00 H ATOM 1039 HZ2 LYS U 110A 10.709 -3.067 10.049 1.00 0.00 H ATOM 1040 HZ3 LYS U 110A 11.379 -3.179 8.492 1.00 0.00 H ATOM 1041 H LYS U 110A 15.646 1.858 12.567 1.00 0.00 H ATOM 1042 N GLU U 110B 14.204 1.673 15.398 1.00 41.86 N ATOM 1043 CA GLU U 110B 14.068 1.574 16.822 1.00 43.23 C ATOM 1044 C GLU U 110B 14.288 2.940 17.497 1.00 41.92 C ATOM 1045 O GLU U 110B 14.316 3.049 18.706 1.00 41.77 O ATOM 1046 CB GLU U 110B 15.000 0.473 17.335 1.00 45.22 C ATOM 1047 CG GLU U 110B 16.478 0.833 17.350 1.00 46.97 C ATOM 1048 CD GLU U 110B 17.289 0.485 16.091 1.00 48.64 C ATOM 1049 OE1 GLU U 110B 16.767 -0.145 15.137 1.00 49.29 O ATOM 1050 OE2 GLU U 110B 18.478 0.881 16.103 1.00 49.73 O ATOM 1051 H GLU U 110B 15.163 1.621 14.999 1.00 0.00 H ATOM 1052 N GLY U 110C 14.360 3.988 16.688 1.00 39.29 N ATOM 1053 CA GLY U 110C 14.356 5.341 17.209 1.00 39.01 C ATOM 1054 C GLY U 110C 15.620 5.950 17.734 1.00 38.62 C ATOM 1055 O GLY U 110C 15.586 6.862 18.498 1.00 39.98 O ATOM 1056 H GLY U 110C 14.420 3.837 15.661 1.00 0.00 H ATOM 1057 N ARG U 110D 16.741 5.410 17.329 1.00 37.54 N ATOM 1058 CA ARG U 110D 18.039 5.879 17.758 1.00 37.91 C ATOM 1059 C ARG U 110D 18.824 6.606 16.666 1.00 34.82 C ATOM 1060 O ARG U 110D 18.539 6.461 15.528 1.00 31.25 O ATOM 1061 CB ARG U 110D 18.872 4.706 18.237 1.00 41.81 C ATOM 1062 CG ARG U 110D 18.791 4.511 19.738 1.00 45.18 C ATOM 1063 CD ARG U 110D 19.647 3.387 20.252 1.00 47.87 C ATOM 1064 NE ARG U 110D 19.005 2.117 20.008 1.00 50.71 N ATOM 1065 CZ ARG U 110D 18.053 1.590 20.751 1.00 52.53 C ATOM 1066 NH1 ARG U 110D 17.598 2.245 21.795 1.00 53.92 N ATOM 1067 NH2 ARG U 110D 17.528 0.431 20.422 1.00 53.13 N ATOM 1068 HE ARG U 110D 19.319 1.574 19.179 1.00 0.00 H ATOM 1069 HH12 ARG U 110D 16.847 1.830 22.382 1.00 0.00 H ATOM 1070 HH11 ARG U 110D 17.989 3.178 22.034 1.00 0.00 H ATOM 1071 HH22 ARG U 110D 16.777 0.015 21.009 1.00 0.00 H ATOM 1072 HH21 ARG U 110D 17.864 -0.070 19.575 1.00 0.00 H ATOM 1073 H ARG U 110D 16.696 4.608 16.669 1.00 0.00 H ATOM 1074 N CYS U 111 19.781 7.408 17.080 1.00 32.69 N ATOM 1075 CA CYS U 111 20.689 8.079 16.196 1.00 32.21 C ATOM 1076 C CYS U 111 21.963 7.275 16.070 1.00 31.19 C ATOM 1077 O CYS U 111 22.017 6.164 16.500 1.00 30.88 O ATOM 1078 CB CYS U 111 20.993 9.447 16.738 1.00 33.25 C ATOM 1079 SG CYS U 111 19.550 10.476 16.672 1.00 36.07 S ATOM 1080 H CYS U 111 19.885 7.564 18.103 1.00 0.00 H ATOM 1081 N ALA U 112 22.988 7.862 15.484 1.00 29.68 N ATOM 1082 CA ALA U 112 24.220 7.141 15.278 1.00 29.78 C ATOM 1083 C ALA U 112 24.955 6.874 16.574 1.00 29.98 C ATOM 1084 O ALA U 112 25.020 7.692 17.416 1.00 30.26 O ATOM 1085 CB ALA U 112 25.120 7.856 14.315 1.00 29.25 C ATOM 1086 H ALA U 112 22.908 8.850 15.169 1.00 0.00 H ATOM 1087 N GLN U 113 25.522 5.691 16.651 1.00 31.34 N ATOM 1088 CA GLN U 113 26.394 5.309 17.720 1.00 32.23 C ATOM 1089 C GLN U 113 27.807 5.268 17.188 1.00 30.34 C ATOM 1090 O GLN U 113 28.147 4.468 16.375 1.00 29.38 O ATOM 1091 CB GLN U 113 25.968 3.947 18.256 1.00 35.67 C ATOM 1092 CG GLN U 113 27.032 3.243 19.045 1.00 39.78 C ATOM 1093 CD GLN U 113 27.317 3.948 20.330 1.00 42.80 C ATOM 1094 OE1 GLN U 113 26.446 4.095 21.167 1.00 47.63 O ATOM 1095 NE2 GLN U 113 28.529 4.442 20.470 1.00 44.01 N ATOM 1096 HE22 GLN U 113 29.241 4.291 19.727 1.00 0.00 H ATOM 1097 HE21 GLN U 113 28.774 4.984 21.323 1.00 0.00 H ATOM 1098 H GLN U 113 25.328 4.999 15.899 1.00 0.00 H ATOM 1099 N PRO U 114 28.623 6.264 17.726 1.00 28.98 N ATOM 1100 CA PRO U 114 29.970 6.298 17.166 1.00 28.98 C ATOM 1101 C PRO U 114 30.812 5.069 17.456 1.00 28.44 C ATOM 1102 O PRO U 114 30.627 4.424 18.439 1.00 28.95 O ATOM 1103 CB PRO U 114 30.598 7.514 17.809 1.00 29.41 C ATOM 1104 CG PRO U 114 29.479 8.429 18.060 1.00 29.39 C ATOM 1105 CD PRO U 114 28.494 7.518 18.626 1.00 29.35 C ATOM 1106 N SER U 115 31.736 4.789 16.560 1.00 27.10 N ATOM 1107 CA SER U 115 32.504 3.576 16.536 1.00 26.24 C ATOM 1108 C SER U 115 33.756 3.758 15.686 1.00 26.58 C ATOM 1109 O SER U 115 34.024 4.834 15.254 1.00 27.06 O ATOM 1110 CB SER U 115 31.671 2.455 15.996 1.00 26.38 C ATOM 1111 OG SER U 115 31.641 2.441 14.605 1.00 24.74 O ATOM 1112 HG SER U 115 31.081 1.686 14.296 1.00 0.00 H ATOM 1113 H SER U 115 31.922 5.495 15.819 1.00 0.00 H ATOM 1114 N ARG U 116 34.516 2.702 15.462 1.00 26.14 N ATOM 1115 CA ARG U 116 35.675 2.805 14.589 1.00 26.80 C ATOM 1116 C ARG U 116 35.251 3.223 13.169 1.00 25.46 C ATOM 1117 O ARG U 116 35.983 3.878 12.511 1.00 25.73 O ATOM 1118 CB ARG U 116 36.481 1.513 14.545 1.00 29.61 C ATOM 1119 CG ARG U 116 37.941 1.708 14.189 1.00 32.43 C ATOM 1120 CD ARG U 116 38.784 0.571 14.711 1.00 35.17 C ATOM 1121 NE ARG U 116 38.617 -0.522 13.832 1.00 38.33 N ATOM 1122 CZ ARG U 116 38.967 -1.749 14.082 1.00 41.94 C ATOM 1123 NH1 ARG U 116 39.498 -2.050 15.212 1.00 45.49 N ATOM 1124 NH2 ARG U 116 38.773 -2.661 13.168 1.00 43.67 N ATOM 1125 HE ARG U 116 38.178 -0.329 12.909 1.00 0.00 H ATOM 1126 HH12 ARG U 116 39.777 -3.032 15.410 1.00 0.00 H ATOM 1127 HH11 ARG U 116 39.649 -1.312 15.929 1.00 0.00 H ATOM 1128 HH22 ARG U 116 39.047 -3.647 13.351 1.00 0.00 H ATOM 1129 HH21 ARG U 116 38.344 -2.401 12.257 1.00 0.00 H ATOM 1130 H ARG U 116 34.285 1.793 15.911 1.00 0.00 H ATOM 1131 N THR U 117 34.093 2.772 12.714 1.00 24.03 N ATOM 1132 CA THR U 117 33.630 3.052 11.377 1.00 22.53 C ATOM 1133 C THR U 117 32.624 4.177 11.246 1.00 22.11 C ATOM 1134 O THR U 117 32.186 4.459 10.166 1.00 20.29 O ATOM 1135 CB THR U 117 33.015 1.790 10.744 1.00 22.62 C ATOM 1136 OG1 THR U 117 31.956 1.306 11.549 1.00 23.08 O ATOM 1137 CG2 THR U 117 34.043 0.765 10.645 1.00 23.09 C ATOM 1138 HG1 THR U 117 31.570 0.496 11.132 1.00 0.00 H ATOM 1139 H THR U 117 33.497 2.196 13.342 1.00 0.00 H ATOM 1140 N ILE U 118 32.229 4.743 12.361 1.00 21.21 N ATOM 1141 CA ILE U 118 31.187 5.779 12.395 1.00 21.45 C ATOM 1142 C ILE U 118 31.623 6.877 13.363 1.00 22.78 C ATOM 1143 O ILE U 118 31.680 6.647 14.573 1.00 24.05 O ATOM 1144 CB ILE U 118 29.821 5.192 12.800 1.00 21.90 C ATOM 1145 CG1 ILE U 118 29.380 4.139 11.775 1.00 21.95 C ATOM 1146 CG2 ILE U 118 28.756 6.290 12.901 1.00 21.26 C ATOM 1147 CD1 ILE U 118 28.309 3.184 12.222 1.00 22.49 C ATOM 1148 H ILE U 118 32.670 4.448 13.255 1.00 0.00 H ATOM 1149 N GLN U 119 31.941 8.053 12.823 1.00 22.65 N ATOM 1150 CA GLN U 119 32.422 9.207 13.596 1.00 23.53 C ATOM 1151 C GLN U 119 31.895 10.484 12.961 1.00 24.05 C ATOM 1152 O GLN U 119 31.630 10.514 11.764 1.00 23.01 O ATOM 1153 CB GLN U 119 33.952 9.272 13.603 1.00 24.79 C ATOM 1154 CG GLN U 119 34.659 8.185 14.403 1.00 26.37 C ATOM 1155 CD GLN U 119 34.502 8.356 15.906 1.00 28.44 C ATOM 1156 OE1 GLN U 119 34.632 9.463 16.437 1.00 31.08 O ATOM 1157 NE2 GLN U 119 34.235 7.255 16.601 1.00 30.16 N ATOM 1158 HE22 GLN U 119 34.134 6.343 16.112 1.00 0.00 H ATOM 1159 HE21 GLN U 119 34.127 7.306 17.634 1.00 0.00 H ATOM 1160 H GLN U 119 31.843 8.161 11.793 1.00 0.00 H ATOM 1161 N THR U 120 31.759 11.538 13.753 1.00 24.02 N ATOM 1162 CA THR U 120 31.375 12.846 13.223 1.00 23.85 C ATOM 1163 C THR U 120 32.589 13.569 12.645 1.00 23.47 C ATOM 1164 O THR U 120 33.736 13.238 12.976 1.00 24.60 O ATOM 1165 CB THR U 120 30.703 13.721 14.303 1.00 24.03 C ATOM 1166 OG1 THR U 120 31.617 13.939 15.391 1.00 25.44 O ATOM 1167 CG2 THR U 120 29.438 13.049 14.821 1.00 23.91 C ATOM 1168 HG1 THR U 120 32.426 14.398 15.054 1.00 0.00 H ATOM 1169 H THR U 120 31.929 11.433 14.774 1.00 0.00 H ATOM 1170 N ILE U 121 32.327 14.539 11.769 1.00 22.67 N ATOM 1171 CA ILE U 121 33.356 15.453 11.233 1.00 22.67 C ATOM 1172 C ILE U 121 33.070 16.858 11.758 1.00 22.74 C ATOM 1173 O ILE U 121 31.914 17.275 11.819 1.00 22.79 O ATOM 1174 CB ILE U 121 33.428 15.436 9.676 1.00 23.08 C ATOM 1175 CG1 ILE U 121 34.520 16.365 9.124 1.00 23.82 C ATOM 1176 CG2 ILE U 121 32.098 15.806 9.023 1.00 22.77 C ATOM 1177 CD1 ILE U 121 35.936 15.929 9.425 1.00 25.06 C ATOM 1178 H ILE U 121 31.346 14.659 11.446 1.00 0.00 H ATOM 1179 N ALA U 122 34.127 17.574 12.136 1.00 23.31 N ATOM 1180 CA ALA U 122 34.009 18.941 12.628 1.00 24.14 C ATOM 1181 C ALA U 122 33.672 19.919 11.510 1.00 24.44 C ATOM 1182 O ALA U 122 34.148 19.789 10.371 1.00 23.99 O ATOM 1183 CB ALA U 122 35.292 19.375 13.319 1.00 24.47 C ATOM 1184 H ALA U 122 35.071 17.142 12.078 1.00 0.00 H ATOM 1185 N LEU U 123 32.843 20.900 11.848 1.00 24.17 N ATOM 1186 CA LEU U 123 32.551 22.004 10.957 1.00 24.43 C ATOM 1187 C LEU U 123 33.632 23.068 11.121 1.00 25.01 C ATOM 1188 O LEU U 123 34.258 23.158 12.182 1.00 24.48 O ATOM 1189 CB LEU U 123 31.172 22.589 11.270 1.00 25.24 C ATOM 1190 CG LEU U 123 29.983 21.655 11.032 1.00 25.66 C ATOM 1191 CD1 LEU U 123 28.711 22.242 11.628 1.00 26.47 C ATOM 1192 CD2 LEU U 123 29.801 21.392 9.544 1.00 25.65 C ATOM 1193 H LEU U 123 32.389 20.875 12.783 1.00 0.00 H ATOM 1194 N PRO U 124 33.870 23.872 10.070 1.00 25.42 N ATOM 1195 CA PRO U 124 34.845 24.945 10.180 1.00 26.69 C ATOM 1196 C PRO U 124 34.310 26.080 11.034 1.00 27.93 C ATOM 1197 O PRO U 124 33.101 26.160 11.288 1.00 26.96 O ATOM 1198 CB PRO U 124 35.033 25.402 8.731 1.00 26.48 C ATOM 1199 CG PRO U 124 33.748 25.084 8.066 1.00 26.61 C ATOM 1200 CD PRO U 124 33.167 23.897 8.774 1.00 26.04 C ATOM 1201 N SER U 125 35.215 26.932 11.497 1.00 29.87 N ATOM 1202 CA SER U 125 34.802 28.175 12.120 1.00 31.74 C ATOM 1203 C SER U 125 34.420 29.138 10.998 1.00 32.38 C ATOM 1204 O SER U 125 34.841 28.989 9.847 1.00 32.46 O ATOM 1205 CB SER U 125 35.893 28.743 13.029 1.00 32.00 C ATOM 1206 OG SER U 125 37.105 28.918 12.330 1.00 34.55 O ATOM 1207 HG SER U 125 37.789 29.286 12.944 1.00 0.00 H ATOM 1208 H SER U 125 36.227 26.707 11.413 1.00 0.00 H ATOM 1209 N MET U 126 33.569 30.088 11.354 1.00 32.76 N ATOM 1210 CA MET U 126 33.003 31.080 10.444 1.00 34.68 C ATOM 1211 C MET U 126 33.999 31.734 9.485 1.00 34.36 C ATOM 1212 O MET U 126 35.011 32.283 9.917 1.00 32.81 O ATOM 1213 CB MET U 126 32.353 32.141 11.317 1.00 36.76 C ATOM 1214 CG MET U 126 32.038 33.472 10.680 1.00 39.24 C ATOM 1215 SD MET U 126 31.190 34.398 11.951 1.00 39.80 S ATOM 1216 CE MET U 126 32.476 34.664 13.171 1.00 39.49 C ATOM 1217 H MET U 126 33.283 30.131 12.353 1.00 0.00 H ATOM 1218 N TYR U 127 33.696 31.673 8.186 1.00 34.54 N ATOM 1219 CA TYR U 127 34.486 32.340 7.141 1.00 35.28 C ATOM 1220 C TYR U 127 35.991 31.989 7.194 1.00 36.53 C ATOM 1221 O TYR U 127 36.845 32.803 6.834 1.00 38.07 O ATOM 1222 CB TYR U 127 34.238 33.866 7.189 1.00 35.95 C ATOM 1223 CG TYR U 127 32.948 34.288 6.509 1.00 35.34 C ATOM 1224 CD1 TYR U 127 31.707 33.889 7.008 1.00 36.34 C ATOM 1225 CD2 TYR U 127 32.967 35.079 5.358 1.00 36.17 C ATOM 1226 CE1 TYR U 127 30.524 34.260 6.381 1.00 36.12 C ATOM 1227 CE2 TYR U 127 31.789 35.460 4.728 1.00 36.52 C ATOM 1228 CZ TYR U 127 30.570 35.046 5.241 1.00 36.55 C ATOM 1229 OH TYR U 127 29.403 35.419 4.612 1.00 37.86 O ATOM 1230 HH TYR U 127 28.630 35.043 5.103 1.00 0.00 H ATOM 1231 H TYR U 127 32.859 31.126 7.899 1.00 0.00 H ATOM 1232 N ASN U 128 36.296 30.767 7.634 1.00 36.77 N ATOM 1233 CA ASN U 128 37.667 30.298 7.807 1.00 37.25 C ATOM 1234 C ASN U 128 37.854 29.079 6.921 1.00 36.72 C ATOM 1235 O ASN U 128 37.347 27.996 7.224 1.00 37.56 O ATOM 1236 CB ASN U 128 37.948 29.948 9.278 1.00 38.27 C ATOM 1237 CG ASN U 128 39.390 29.511 9.520 1.00 39.67 C ATOM 1238 OD1 ASN U 128 40.323 30.029 8.907 1.00 41.10 O ATOM 1239 ND2 ASN U 128 39.573 28.553 10.421 1.00 40.81 N ATOM 1240 HD22 ASN U 128 38.756 28.142 10.916 1.00 0.00 H ATOM 1241 HD21 ASN U 128 40.533 28.213 10.631 1.00 0.00 H ATOM 1242 H ASN U 128 35.518 30.116 7.865 1.00 0.00 H ATOM 1243 N ASP U 129 38.548 29.279 5.806 1.00 35.88 N ATOM 1244 CA ASP U 129 38.893 28.200 4.893 1.00 36.38 C ATOM 1245 C ASP U 129 40.407 28.138 4.764 1.00 34.68 C ATOM 1246 O ASP U 129 41.090 29.116 5.073 1.00 34.75 O ATOM 1247 CB ASP U 129 38.260 28.448 3.527 1.00 36.95 C ATOM 1248 CG ASP U 129 36.744 28.491 3.588 1.00 38.66 C ATOM 1249 OD1 ASP U 129 36.137 27.536 4.115 1.00 40.66 O ATOM 1250 OD2 ASP U 129 36.159 29.480 3.106 1.00 39.60 O ATOM 1251 H ASP U 129 38.857 30.245 5.577 1.00 0.00 H ATOM 1252 N PRO U 130 40.945 26.992 4.305 1.00 34.05 N ATOM 1253 CA PRO U 130 42.382 26.949 4.018 1.00 33.61 C ATOM 1254 C PRO U 130 42.754 27.854 2.842 1.00 33.70 C ATOM 1255 O PRO U 130 41.896 28.182 2.019 1.00 31.14 O ATOM 1256 CB PRO U 130 42.633 25.474 3.659 1.00 34.07 C ATOM 1257 CG PRO U 130 41.432 24.732 4.135 1.00 33.96 C ATOM 1258 CD PRO U 130 40.299 25.697 4.022 1.00 34.15 C ATOM 1259 N GLN U 131 44.019 28.260 2.775 1.00 35.12 N ATOM 1260 CA GLN U 131 44.508 29.044 1.639 1.00 36.51 C ATOM 1261 C GLN U 131 44.559 28.181 0.384 1.00 36.50 C ATOM 1262 O GLN U 131 44.661 26.949 0.470 1.00 34.65 O ATOM 1263 CB GLN U 131 45.890 29.648 1.928 1.00 39.47 C ATOM 1264 CG GLN U 131 45.843 30.841 2.877 1.00 42.03 C ATOM 1265 CD GLN U 131 47.210 31.455 3.143 1.00 44.65 C ATOM 1266 OE1 GLN U 131 48.234 30.987 2.636 1.00 46.59 O ATOM 1267 NE2 GLN U 131 47.232 32.514 3.949 1.00 46.40 N ATOM 1268 HE22 GLN U 131 46.346 32.877 4.355 1.00 0.00 H ATOM 1269 HE21 GLN U 131 48.135 32.979 4.172 1.00 0.00 H ATOM 1270 H GLN U 131 44.674 28.016 3.545 1.00 0.00 H ATOM 1271 N PHE U 132 44.476 28.830 -0.775 1.00 36.16 N ATOM 1272 CA PHE U 132 44.556 28.123 -2.053 1.00 37.07 C ATOM 1273 C PHE U 132 45.868 27.337 -2.167 1.00 36.15 C ATOM 1274 O PHE U 132 46.889 27.708 -1.576 1.00 34.54 O ATOM 1275 CB PHE U 132 44.325 29.059 -3.259 1.00 38.50 C ATOM 1276 CG PHE U 132 45.403 30.093 -3.474 1.00 41.19 C ATOM 1277 CD1 PHE U 132 46.521 29.808 -4.260 1.00 41.86 C ATOM 1278 CD2 PHE U 132 45.279 31.375 -2.934 1.00 42.43 C ATOM 1279 CE1 PHE U 132 47.506 30.766 -4.473 1.00 42.97 C ATOM 1280 CE2 PHE U 132 46.260 32.336 -3.147 1.00 42.57 C ATOM 1281 CZ PHE U 132 47.374 32.031 -3.916 1.00 42.83 C ATOM 1282 H PHE U 132 44.352 29.863 -0.772 1.00 0.00 H ATOM 1283 N GLY U 133 45.806 26.224 -2.891 1.00 33.96 N ATOM 1284 CA GLY U 133 46.905 25.273 -2.965 1.00 33.40 C ATOM 1285 C GLY U 133 46.909 24.216 -1.870 1.00 32.47 C ATOM 1286 O GLY U 133 47.720 23.291 -1.929 1.00 34.24 O ATOM 1287 H GLY U 133 44.937 26.025 -3.426 1.00 0.00 H ATOM 1288 N THR U 134 46.019 24.338 -0.877 1.00 30.11 N ATOM 1289 CA THR U 134 45.916 23.366 0.204 1.00 29.83 C ATOM 1290 C THR U 134 45.308 22.075 -0.328 1.00 29.30 C ATOM 1291 O THR U 134 44.281 22.106 -1.007 1.00 28.54 O ATOM 1292 CB THR U 134 45.022 23.875 1.358 1.00 29.34 C ATOM 1293 OG1 THR U 134 45.605 25.047 1.935 1.00 29.96 O ATOM 1294 CG2 THR U 134 44.857 22.814 2.450 1.00 30.06 C ATOM 1295 HG1 THR U 134 45.682 25.751 1.243 1.00 0.00 H ATOM 1296 H THR U 134 45.378 25.157 -0.877 1.00 0.00 H ATOM 1297 N SER U 135 45.937 20.954 0.008 1.00 29.05 N ATOM 1298 CA SER U 135 45.444 19.633 -0.389 1.00 28.68 C ATOM 1299 C SER U 135 44.301 19.210 0.509 1.00 28.43 C ATOM 1300 O SER U 135 44.457 19.170 1.732 1.00 28.97 O ATOM 1301 CB SER U 135 46.552 18.590 -0.288 1.00 29.36 C ATOM 1302 OG SER U 135 47.538 18.818 -1.268 1.00 31.00 O ATOM 1303 HG SER U 135 48.247 18.132 -1.187 1.00 0.00 H ATOM 1304 H SER U 135 46.809 21.016 0.572 1.00 0.00 H ATOM 1305 N CYS U 136 43.168 18.852 -0.097 1.00 26.93 N ATOM 1306 CA CYS U 136 42.047 18.315 0.620 1.00 26.51 C ATOM 1307 C CYS U 136 41.580 16.977 0.033 1.00 25.50 C ATOM 1308 O CYS U 136 41.948 16.631 -1.029 1.00 25.60 O ATOM 1309 CB CYS U 136 40.909 19.284 0.623 1.00 26.84 C ATOM 1310 SG CYS U 136 41.388 20.895 1.256 1.00 28.27 S ATOM 1311 H CYS U 136 43.094 18.966 -1.128 1.00 0.00 H ATOM 1312 N GLU U 137 40.808 16.247 0.796 1.00 24.61 N ATOM 1313 CA GLU U 137 40.380 14.927 0.400 1.00 25.15 C ATOM 1314 C GLU U 137 38.914 14.915 0.069 1.00 23.44 C ATOM 1315 O GLU U 137 38.175 15.520 0.741 1.00 22.57 O ATOM 1316 CB GLU U 137 40.569 13.929 1.551 1.00 27.82 C ATOM 1317 CG GLU U 137 42.012 13.635 1.866 1.00 30.26 C ATOM 1318 CD GLU U 137 42.236 12.787 3.092 1.00 33.36 C ATOM 1319 OE1 GLU U 137 41.295 12.467 3.750 1.00 34.01 O ATOM 1320 OE2 GLU U 137 43.401 12.471 3.377 1.00 36.93 O ATOM 1321 H GLU U 137 40.495 16.628 1.712 1.00 0.00 H ATOM 1322 N ILE U 138 38.531 14.208 -0.981 1.00 21.22 N ATOM 1323 CA ILE U 138 37.138 13.972 -1.288 1.00 20.55 C ATOM 1324 C ILE U 138 36.850 12.484 -1.355 1.00 19.68 C ATOM 1325 O ILE U 138 37.708 11.741 -1.656 1.00 18.52 O ATOM 1326 CB ILE U 138 36.776 14.592 -2.607 1.00 20.97 C ATOM 1327 CG1 ILE U 138 37.832 14.301 -3.631 1.00 21.16 C ATOM 1328 CG2 ILE U 138 36.731 16.084 -2.459 1.00 21.63 C ATOM 1329 CD1 ILE U 138 37.354 14.527 -5.042 1.00 21.59 C ATOM 1330 H ILE U 138 39.258 13.808 -1.608 1.00 0.00 H ATOM 1331 N THR U 139 35.634 12.104 -1.004 1.00 18.36 N ATOM 1332 CA THR U 139 35.276 10.693 -0.829 1.00 18.33 C ATOM 1333 C THR U 139 33.912 10.450 -1.464 1.00 18.05 C ATOM 1334 O THR U 139 33.060 11.331 -1.443 1.00 16.79 O ATOM 1335 CB THR U 139 35.246 10.330 0.673 1.00 19.66 C ATOM 1336 OG1 THR U 139 36.505 10.682 1.267 1.00 21.19 O ATOM 1337 CG2 THR U 139 34.970 8.838 0.900 1.00 20.40 C ATOM 1338 HG1 THR U 139 36.490 10.451 2.230 1.00 0.00 H ATOM 1339 H THR U 139 34.906 12.830 -0.847 1.00 0.00 H ATOM 1340 N GLY U 140 33.711 9.269 -2.037 1.00 16.82 N ATOM 1341 CA GLY U 140 32.399 8.922 -2.561 1.00 16.92 C ATOM 1342 C GLY U 140 32.349 7.652 -3.382 1.00 16.92 C ATOM 1343 O GLY U 140 33.388 7.031 -3.657 1.00 17.44 O ATOM 1344 H GLY U 140 34.495 8.589 -2.111 1.00 0.00 H ATOM 1345 N PHE U 141 31.124 7.282 -3.746 1.00 16.33 N ATOM 1346 CA PHE U 141 30.823 6.126 -4.602 1.00 16.41 C ATOM 1347 C PHE U 141 30.519 6.532 -6.050 1.00 16.62 C ATOM 1348 O PHE U 141 29.914 5.752 -6.788 1.00 15.93 O ATOM 1349 CB PHE U 141 29.598 5.378 -4.065 1.00 16.85 C ATOM 1350 CG PHE U 141 29.851 4.558 -2.837 1.00 17.26 C ATOM 1351 CD1 PHE U 141 30.627 3.414 -2.907 1.00 17.43 C ATOM 1352 CD2 PHE U 141 29.244 4.883 -1.623 1.00 17.69 C ATOM 1353 CE1 PHE U 141 30.839 2.630 -1.783 1.00 18.09 C ATOM 1354 CE2 PHE U 141 29.453 4.103 -0.498 1.00 18.11 C ATOM 1355 CZ PHE U 141 30.244 2.968 -0.581 1.00 18.14 C ATOM 1356 H PHE U 141 30.324 7.850 -3.401 1.00 0.00 H ATOM 1357 N GLY U 142 30.924 7.730 -6.458 1.00 16.51 N ATOM 1358 CA GLY U 142 30.602 8.229 -7.792 1.00 17.52 C ATOM 1359 C GLY U 142 31.405 7.566 -8.896 1.00 17.21 C ATOM 1360 O GLY U 142 32.343 6.800 -8.647 1.00 17.69 O ATOM 1361 H GLY U 142 31.482 8.325 -5.813 1.00 0.00 H ATOM 1362 N LYS U 143 31.075 7.910 -10.118 1.00 18.09 N ATOM 1363 CA LYS U 143 31.662 7.234 -11.231 1.00 18.83 C ATOM 1364 C LYS U 143 33.176 7.362 -11.258 1.00 19.34 C ATOM 1365 O LYS U 143 33.711 8.318 -10.823 1.00 18.85 O ATOM 1366 CB LYS U 143 31.088 7.774 -12.535 1.00 19.74 C ATOM 1367 CG LYS U 143 29.653 7.408 -12.762 1.00 21.34 C ATOM 1368 CD LYS U 143 29.197 7.807 -14.146 1.00 23.25 C ATOM 1369 CE LYS U 143 27.740 7.527 -14.424 1.00 25.07 C ATOM 1370 NZ LYS U 143 27.340 8.266 -15.640 1.00 26.47 N ATOM 1371 HZ1 LYS U 143 27.482 9.285 -15.487 1.00 0.00 H ATOM 1372 HZ2 LYS U 143 27.921 7.950 -16.443 1.00 0.00 H ATOM 1373 HZ3 LYS U 143 26.337 8.081 -15.842 1.00 0.00 H ATOM 1374 H LYS U 143 30.387 8.674 -10.276 1.00 0.00 H ATOM 1375 N GLU U 144 33.826 6.315 -11.738 1.00 19.82 N ATOM 1376 CA GLU U 144 35.259 6.299 -11.948 1.00 20.88 C ATOM 1377 C GLU U 144 35.708 6.846 -13.266 1.00 21.49 C ATOM 1378 O GLU U 144 36.844 7.110 -13.442 1.00 21.45 O ATOM 1379 CB GLU U 144 35.771 4.888 -11.854 1.00 21.54 C ATOM 1380 CG GLU U 144 35.607 4.269 -10.492 1.00 22.46 C ATOM 1381 CD GLU U 144 36.493 3.053 -10.331 1.00 23.60 C ATOM 1382 OE1 GLU U 144 35.989 1.944 -10.587 1.00 25.34 O ATOM 1383 OE2 GLU U 144 37.665 3.213 -10.018 1.00 23.94 O ATOM 1384 H GLU U 144 33.282 5.462 -11.976 1.00 0.00 H ATOM 1385 N GLN U 145 34.789 6.887 -14.206 1.00 23.16 N ATOM 1386 CA GLN U 145 35.027 7.515 -15.489 1.00 25.04 C ATOM 1387 C GLN U 145 33.746 8.158 -15.933 1.00 24.54 C ATOM 1388 O GLN U 145 32.723 7.658 -15.680 1.00 23.06 O ATOM 1389 CB GLN U 145 35.545 6.524 -16.518 1.00 27.92 C ATOM 1390 CG GLN U 145 36.768 5.774 -16.030 1.00 31.00 C ATOM 1391 CD GLN U 145 37.474 4.963 -17.097 1.00 34.52 C ATOM 1392 OE1 GLN U 145 38.670 5.062 -17.236 1.00 38.32 O ATOM 1393 NE2 GLN U 145 36.738 4.175 -17.838 1.00 36.78 N ATOM 1394 HE22 GLN U 145 35.711 4.123 -17.681 1.00 0.00 H ATOM 1395 HE21 GLN U 145 37.180 3.601 -18.584 1.00 0.00 H ATOM 1396 H GLN U 145 33.861 6.454 -14.022 1.00 0.00 H ATOM 1397 N SER U 146 33.841 9.312 -16.569 1.00 25.06 N ATOM 1398 CA SER U 146 32.633 10.022 -17.005 1.00 26.10 C ATOM 1399 C SER U 146 31.708 9.155 -17.868 1.00 27.55 C ATOM 1400 O SER U 146 30.486 9.263 -17.763 1.00 28.58 O ATOM 1401 CB SER U 146 33.013 11.286 -17.783 1.00 26.28 C ATOM 1402 OG SER U 146 33.860 12.106 -17.002 1.00 25.96 O ATOM 1403 HG SER U 146 34.097 12.918 -17.516 1.00 0.00 H ATOM 1404 H SER U 146 34.778 9.720 -16.762 1.00 0.00 H ATOM 1405 N THR U 147 32.313 8.304 -18.695 1.00 29.59 N ATOM 1406 CA THR U 147 31.598 7.413 -19.622 1.00 30.22 C ATOM 1407 C THR U 147 31.032 6.121 -18.999 1.00 30.38 C ATOM 1408 O THR U 147 30.273 5.409 -19.663 1.00 30.28 O ATOM 1409 CB THR U 147 32.516 7.024 -20.805 1.00 30.85 C ATOM 1410 OG1 THR U 147 33.736 6.449 -20.313 1.00 32.15 O ATOM 1411 CG2 THR U 147 32.848 8.251 -21.655 1.00 31.59 C ATOM 1412 HG1 THR U 147 33.528 5.640 -19.782 1.00 0.00 H ATOM 1413 H THR U 147 33.352 8.267 -18.685 1.00 0.00 H ATOM 1414 N ASP U 148 31.390 5.806 -17.750 1.00 29.74 N ATOM 1415 CA ASP U 148 30.905 4.575 -17.105 1.00 28.83 C ATOM 1416 C ASP U 148 29.399 4.603 -16.904 1.00 29.09 C ATOM 1417 O ASP U 148 28.814 5.657 -16.659 1.00 29.35 O ATOM 1418 CB ASP U 148 31.564 4.351 -15.734 1.00 28.63 C ATOM 1419 CG ASP U 148 33.020 3.906 -15.830 1.00 28.14 C ATOM 1420 OD1 ASP U 148 33.546 3.688 -16.937 1.00 28.94 O ATOM 1421 OD2 ASP U 148 33.646 3.758 -14.769 1.00 29.09 O ATOM 1422 H ASP U 148 32.023 6.442 -17.224 1.00 0.00 H ATOM 1423 N TYR U 149 28.783 3.431 -17.020 1.00 30.05 N ATOM 1424 CA TYR U 149 27.378 3.247 -16.683 1.00 31.67 C ATOM 1425 C TYR U 149 27.228 2.886 -15.202 1.00 29.97 C ATOM 1426 O TYR U 149 26.289 3.342 -14.545 1.00 30.63 O ATOM 1427 CB TYR U 149 26.770 2.154 -17.561 1.00 33.86 C ATOM 1428 CG TYR U 149 25.286 1.941 -17.350 1.00 36.55 C ATOM 1429 CD1 TYR U 149 24.363 2.935 -17.688 1.00 37.77 C ATOM 1430 CD2 TYR U 149 24.800 0.740 -16.833 1.00 37.99 C ATOM 1431 CE1 TYR U 149 23.000 2.740 -17.505 1.00 39.17 C ATOM 1432 CE2 TYR U 149 23.440 0.536 -16.648 1.00 39.47 C ATOM 1433 CZ TYR U 149 22.544 1.536 -16.984 1.00 40.10 C ATOM 1434 OH TYR U 149 21.196 1.329 -16.798 1.00 41.59 O ATOM 1435 HH TYR U 149 20.697 2.134 -17.085 1.00 0.00 H ATOM 1436 H TYR U 149 29.325 2.613 -17.365 1.00 0.00 H ATOM 1437 N LEU U 150 28.154 2.101 -14.691 1.00 28.00 N ATOM 1438 CA LEU U 150 28.155 1.676 -13.311 1.00 26.98 C ATOM 1439 C LEU U 150 28.913 2.607 -12.346 1.00 25.12 C ATOM 1440 O LEU U 150 29.813 3.281 -12.711 1.00 24.52 O ATOM 1441 CB LEU U 150 28.794 0.309 -13.187 1.00 28.38 C ATOM 1442 CG LEU U 150 28.130 -0.901 -13.820 1.00 30.01 C ATOM 1443 CD1 LEU U 150 29.058 -2.093 -13.900 1.00 30.74 C ATOM 1444 CD2 LEU U 150 26.874 -1.287 -13.092 1.00 30.41 C ATOM 1445 H LEU U 150 28.921 1.772 -15.311 1.00 0.00 H ATOM 1446 N TYR U 151 28.485 2.577 -11.106 1.00 23.62 N ATOM 1447 CA TYR U 151 29.220 3.089 -9.999 1.00 22.81 C ATOM 1448 C TYR U 151 30.115 2.000 -9.432 1.00 21.88 C ATOM 1449 O TYR U 151 29.819 0.851 -9.480 1.00 20.89 O ATOM 1450 CB TYR U 151 28.295 3.568 -8.892 1.00 23.03 C ATOM 1451 CG TYR U 151 27.481 4.846 -9.126 1.00 23.39 C ATOM 1452 CD1 TYR U 151 27.816 5.775 -10.055 1.00 25.25 C ATOM 1453 CD2 TYR U 151 26.383 5.081 -8.410 1.00 25.46 C ATOM 1454 CE1 TYR U 151 27.068 6.895 -10.262 1.00 25.02 C ATOM 1455 CE2 TYR U 151 25.626 6.198 -8.598 1.00 25.52 C ATOM 1456 CZ TYR U 151 25.982 7.109 -9.526 1.00 25.51 C ATOM 1457 OH TYR U 151 25.186 8.212 -9.682 1.00 25.23 O ATOM 1458 HH TYR U 151 25.148 8.714 -8.829 1.00 0.00 H ATOM 1459 H TYR U 151 27.553 2.154 -10.921 1.00 0.00 H ATOM 1460 N PRO U 152 31.234 2.422 -8.824 1.00 20.32 N ATOM 1461 CA PRO U 152 32.135 1.464 -8.186 1.00 20.28 C ATOM 1462 C PRO U 152 31.487 0.853 -7.003 1.00 20.59 C ATOM 1463 O PRO U 152 30.698 1.465 -6.394 1.00 20.77 O ATOM 1464 CB PRO U 152 33.312 2.298 -7.730 1.00 20.08 C ATOM 1465 CG PRO U 152 32.771 3.666 -7.618 1.00 19.91 C ATOM 1466 CD PRO U 152 31.757 3.790 -8.704 1.00 20.21 C ATOM 1467 N GLU U 153 31.814 -0.395 -6.742 1.00 21.51 N ATOM 1468 CA GLU U 153 31.277 -1.113 -5.632 1.00 22.32 C ATOM 1469 C GLU U 153 31.965 -0.757 -4.302 1.00 21.35 C ATOM 1470 O GLU U 153 31.388 -0.846 -3.280 1.00 23.20 O ATOM 1471 CB GLU U 153 31.308 -2.598 -5.978 1.00 24.10 C ATOM 1472 CG GLU U 153 30.441 -3.454 -5.130 1.00 27.12 C ATOM 1473 CD GLU U 153 28.972 -3.047 -5.075 1.00 27.96 C ATOM 1474 OE1 GLU U 153 28.354 -2.610 -6.066 1.00 29.36 O ATOM 1475 OE2 GLU U 153 28.482 -3.192 -4.002 1.00 30.39 O ATOM 1476 H GLU U 153 32.490 -0.876 -7.369 1.00 0.00 H ATOM 1477 N GLN U 154 33.217 -0.345 -4.386 1.00 21.05 N ATOM 1478 CA GLN U 154 34.047 0.005 -3.260 1.00 20.54 C ATOM 1479 C GLN U 154 34.218 1.525 -3.147 1.00 19.80 C ATOM 1480 O GLN U 154 34.384 2.185 -4.088 1.00 19.34 O ATOM 1481 CB GLN U 154 35.422 -0.640 -3.394 1.00 21.47 C ATOM 1482 CG GLN U 154 36.352 -0.460 -2.206 1.00 23.00 C ATOM 1483 CD GLN U 154 35.996 -1.338 -1.040 1.00 24.10 C ATOM 1484 OE1 GLN U 154 35.506 -2.420 -1.200 1.00 25.57 O ATOM 1485 NE2 GLN U 154 36.271 -0.869 0.131 1.00 24.68 N ATOM 1486 HE22 GLN U 154 36.696 0.075 0.226 1.00 0.00 H ATOM 1487 HE21 GLN U 154 36.067 -1.436 0.979 1.00 0.00 H ATOM 1488 H GLN U 154 33.635 -0.267 -5.335 1.00 0.00 H ATOM 1489 N LEU U 155 34.142 2.019 -1.946 1.00 18.62 N ATOM 1490 CA LEU U 155 34.307 3.458 -1.708 1.00 18.26 C ATOM 1491 C LEU U 155 35.668 3.942 -2.197 1.00 18.01 C ATOM 1492 O LEU U 155 36.651 3.212 -2.100 1.00 17.76 O ATOM 1493 CB LEU U 155 34.177 3.766 -0.212 1.00 18.21 C ATOM 1494 CG LEU U 155 34.127 5.231 0.230 1.00 17.92 C ATOM 1495 CD1 LEU U 155 32.857 5.905 -0.273 1.00 18.14 C ATOM 1496 CD2 LEU U 155 34.203 5.293 1.750 1.00 18.23 C ATOM 1497 H LEU U 155 33.962 1.385 -1.142 1.00 0.00 H ATOM 1498 N LYS U 156 35.715 5.168 -2.705 1.00 17.44 N ATOM 1499 CA LYS U 156 36.965 5.780 -3.140 1.00 18.05 C ATOM 1500 C LYS U 156 37.218 7.141 -2.512 1.00 18.92 C ATOM 1501 O LYS U 156 36.352 7.754 -2.012 1.00 18.15 O ATOM 1502 CB LYS U 156 37.060 5.979 -4.655 1.00 18.58 C ATOM 1503 CG LYS U 156 36.904 4.697 -5.439 1.00 18.97 C ATOM 1504 CD LYS U 156 36.962 4.877 -6.933 1.00 19.52 C ATOM 1505 CE LYS U 156 38.290 5.468 -7.362 1.00 20.11 C ATOM 1506 NZ LYS U 156 38.444 5.644 -8.838 1.00 20.49 N ATOM 1507 HZ1 LYS U 156 38.359 4.720 -9.307 1.00 0.00 H ATOM 1508 HZ2 LYS U 156 37.702 6.282 -9.189 1.00 0.00 H ATOM 1509 HZ3 LYS U 156 39.379 6.052 -9.042 1.00 0.00 H ATOM 1510 H LYS U 156 34.832 5.709 -2.796 1.00 0.00 H ATOM 1511 N MET U 157 38.473 7.520 -2.549 1.00 19.38 N ATOM 1512 CA MET U 157 38.889 8.839 -2.161 1.00 21.42 C ATOM 1513 C MET U 157 40.047 9.383 -3.008 1.00 20.79 C ATOM 1514 O MET U 157 40.760 8.650 -3.582 1.00 19.92 O ATOM 1515 CB MET U 157 39.226 8.899 -0.686 1.00 24.43 C ATOM 1516 CG MET U 157 40.426 8.118 -0.270 1.00 28.34 C ATOM 1517 SD MET U 157 40.640 8.275 1.524 1.00 35.36 S ATOM 1518 CE MET U 157 40.841 10.013 1.669 1.00 36.29 C ATOM 1519 H MET U 157 39.193 6.841 -2.871 1.00 0.00 H ATOM 1520 N THR U 158 40.157 10.691 -3.086 1.00 19.68 N ATOM 1521 CA THR U 158 41.253 11.300 -3.792 1.00 20.04 C ATOM 1522 C THR U 158 41.646 12.615 -3.154 1.00 20.61 C ATOM 1523 O THR U 158 41.069 13.007 -2.204 1.00 19.29 O ATOM 1524 CB THR U 158 41.037 11.458 -5.318 1.00 20.37 C ATOM 1525 OG1 THR U 158 42.277 11.731 -5.963 1.00 20.54 O ATOM 1526 CG2 THR U 158 40.082 12.552 -5.605 1.00 20.90 C ATOM 1527 HG1 THR U 158 42.127 11.830 -6.936 1.00 0.00 H ATOM 1528 H THR U 158 39.442 11.294 -2.631 1.00 0.00 H ATOM 1529 N VAL U 159 42.705 13.204 -3.665 1.00 21.42 N ATOM 1530 CA VAL U 159 43.181 14.497 -3.202 1.00 22.69 C ATOM 1531 C VAL U 159 42.997 15.500 -4.326 1.00 22.13 C ATOM 1532 O VAL U 159 43.317 15.222 -5.480 1.00 22.11 O ATOM 1533 CB VAL U 159 44.665 14.426 -2.773 1.00 24.32 C ATOM 1534 CG1 VAL U 159 45.342 15.795 -2.787 1.00 25.72 C ATOM 1535 CG2 VAL U 159 44.759 13.814 -1.396 1.00 26.05 C ATOM 1536 H VAL U 159 43.222 12.726 -4.430 1.00 0.00 H ATOM 1537 N VAL U 160 42.468 16.665 -3.970 1.00 21.96 N ATOM 1538 CA VAL U 160 42.406 17.814 -4.862 1.00 22.49 C ATOM 1539 C VAL U 160 42.938 19.028 -4.105 1.00 23.00 C ATOM 1540 O VAL U 160 42.978 19.028 -2.867 1.00 22.97 O ATOM 1541 CB VAL U 160 40.976 18.069 -5.392 1.00 22.78 C ATOM 1542 CG1 VAL U 160 40.570 16.966 -6.364 1.00 23.22 C ATOM 1543 CG2 VAL U 160 39.957 18.182 -4.259 1.00 23.26 C ATOM 1544 H VAL U 160 42.080 16.761 -3.010 1.00 0.00 H ATOM 1545 N LYS U 161 43.354 20.040 -4.855 1.00 23.32 N ATOM 1546 CA LYS U 161 43.886 21.275 -4.280 1.00 24.91 C ATOM 1547 C LYS U 161 42.900 22.424 -4.446 1.00 24.02 C ATOM 1548 O LYS U 161 42.307 22.592 -5.511 1.00 22.72 O ATOM 1549 CB LYS U 161 45.216 21.627 -4.937 1.00 26.81 C ATOM 1550 CG LYS U 161 46.293 20.598 -4.662 1.00 29.13 C ATOM 1551 CD LYS U 161 47.660 21.095 -5.083 1.00 31.40 C ATOM 1552 CE LYS U 161 48.750 20.159 -4.593 1.00 33.15 C ATOM 1553 NZ LYS U 161 50.099 20.755 -4.789 1.00 35.76 N ATOM 1554 HZ1 LYS U 161 50.251 20.941 -5.801 1.00 0.00 H ATOM 1555 HZ2 LYS U 161 50.163 21.647 -4.258 1.00 0.00 H ATOM 1556 HZ3 LYS U 161 50.823 20.092 -4.445 1.00 0.00 H ATOM 1557 H LYS U 161 43.300 19.952 -5.890 1.00 0.00 H ATOM 1558 N LEU U 162 42.727 23.203 -3.375 1.00 24.32 N ATOM 1559 CA LEU U 162 41.860 24.374 -3.397 1.00 25.30 C ATOM 1560 C LEU U 162 42.387 25.397 -4.396 1.00 26.16 C ATOM 1561 O LEU U 162 43.594 25.655 -4.461 1.00 26.11 O ATOM 1562 CB LEU U 162 41.745 25.009 -1.999 1.00 25.76 C ATOM 1563 CG LEU U 162 40.587 24.592 -1.081 1.00 27.21 C ATOM 1564 CD1 LEU U 162 40.119 23.161 -1.285 1.00 26.98 C ATOM 1565 CD2 LEU U 162 40.951 24.825 0.380 1.00 26.78 C ATOM 1566 H LEU U 162 43.228 22.966 -2.495 1.00 0.00 H ATOM 1567 N ILE U 163 41.465 25.954 -5.172 1.00 27.50 N ATOM 1568 CA ILE U 163 41.754 26.951 -6.188 1.00 28.94 C ATOM 1569 C ILE U 163 41.168 28.257 -5.667 1.00 30.18 C ATOM 1570 O ILE U 163 40.124 28.249 -5.010 1.00 29.03 O ATOM 1571 CB ILE U 163 41.129 26.541 -7.543 1.00 29.86 C ATOM 1572 CG1 ILE U 163 41.816 25.272 -8.073 1.00 30.23 C ATOM 1573 CG2 ILE U 163 41.258 27.664 -8.569 1.00 30.46 C ATOM 1574 CD1 ILE U 163 41.069 24.561 -9.182 1.00 30.88 C ATOM 1575 H ILE U 163 40.476 25.659 -5.045 1.00 0.00 H ATOM 1576 N SER U 164 41.840 29.373 -5.945 1.00 32.64 N ATOM 1577 CA SER U 164 41.354 30.678 -5.498 1.00 34.11 C ATOM 1578 C SER U 164 40.083 31.057 -6.252 1.00 35.48 C ATOM 1579 O SER U 164 39.944 30.750 -7.438 1.00 35.21 O ATOM 1580 CB SER U 164 42.413 31.774 -5.699 1.00 34.37 C ATOM 1581 OG SER U 164 42.485 32.185 -7.054 1.00 33.95 O ATOM 1582 HG SER U 164 41.606 32.542 -7.336 1.00 0.00 H ATOM 1583 H SER U 164 42.725 29.315 -6.489 1.00 0.00 H ATOM 1584 N HIS U 165 39.154 31.692 -5.539 1.00 38.31 N ATOM 1585 CA HIS U 165 38.069 32.486 -6.141 1.00 41.23 C ATOM 1586 C HIS U 165 38.508 33.196 -7.427 1.00 41.73 C ATOM 1587 O HIS U 165 37.839 33.076 -8.451 1.00 39.45 O ATOM 1588 CB HIS U 165 37.502 33.514 -5.134 1.00 44.60 C ATOM 1589 CG HIS U 165 38.521 34.069 -4.180 1.00 47.64 C ATOM 1590 ND1 HIS U 165 38.672 33.590 -2.896 1.00 49.69 N ATOM 1591 CD2 HIS U 165 39.448 35.046 -4.328 1.00 48.91 C ATOM 1592 CE1 HIS U 165 39.644 34.251 -2.292 1.00 50.39 C ATOM 1593 NE2 HIS U 165 40.133 35.138 -3.140 1.00 49.93 N ATOM 1594 H HIS U 165 39.197 31.624 -4.502 1.00 0.00 H ATOM 1595 N ARG U 166 39.664 33.865 -7.361 1.00 43.13 N ATOM 1596 CA ARG U 166 40.223 34.671 -8.461 1.00 45.78 C ATOM 1597 C ARG U 166 40.534 33.827 -9.708 1.00 43.85 C ATOM 1598 O ARG U 166 40.295 34.265 -10.831 1.00 43.10 O ATOM 1599 CB ARG U 166 41.488 35.426 -7.999 1.00 49.72 C ATOM 1600 CG ARG U 166 41.594 36.873 -8.475 1.00 53.71 C ATOM 1601 CD ARG U 166 41.937 37.000 -9.954 1.00 56.29 C ATOM 1602 NE ARG U 166 42.533 38.306 -10.263 1.00 59.73 N ATOM 1603 CZ ARG U 166 41.874 39.468 -10.341 1.00 61.49 C ATOM 1604 NH1 ARG U 166 40.559 39.540 -10.130 1.00 63.53 N ATOM 1605 NH2 ARG U 166 42.543 40.584 -10.630 1.00 62.08 N ATOM 1606 HE ARG U 166 43.558 38.330 -10.437 1.00 0.00 H ATOM 1607 HH12 ARG U 166 40.071 40.456 -10.197 1.00 0.00 H ATOM 1608 HH11 ARG U 166 40.022 38.680 -9.899 1.00 0.00 H ATOM 1609 HH22 ARG U 166 42.038 41.491 -10.693 1.00 0.00 H ATOM 1610 HH21 ARG U 166 43.570 40.548 -10.793 1.00 0.00 H ATOM 1611 H ARG U 166 40.205 33.813 -6.474 1.00 0.00 H ATOM 1612 N GLU U 167 41.070 32.626 -9.505 1.00 40.52 N ATOM 1613 CA GLU U 167 41.374 31.716 -10.614 1.00 39.14 C ATOM 1614 C GLU U 167 40.117 31.024 -11.156 1.00 37.79 C ATOM 1615 O GLU U 167 39.980 30.857 -12.374 1.00 37.64 O ATOM 1616 CB GLU U 167 42.408 30.681 -10.178 1.00 38.75 C ATOM 1617 CG GLU U 167 42.934 29.797 -11.303 1.00 40.14 C ATOM 1618 CD GLU U 167 43.859 28.699 -10.815 1.00 40.85 C ATOM 1619 OE1 GLU U 167 44.501 28.865 -9.757 1.00 41.99 O ATOM 1620 OE2 GLU U 167 43.945 27.660 -11.502 1.00 43.53 O ATOM 1621 H GLU U 167 41.279 32.324 -8.532 1.00 0.00 H ATOM 1622 N CYS U 168 39.219 30.613 -10.262 1.00 36.32 N ATOM 1623 CA CYS U 168 37.976 29.939 -10.638 1.00 35.67 C ATOM 1624 C CYS U 168 37.031 30.780 -11.447 1.00 38.42 C ATOM 1625 O CYS U 168 36.274 30.271 -12.243 1.00 36.55 O ATOM 1626 CB CYS U 168 37.232 29.283 -9.461 1.00 34.32 C ATOM 1627 SG CYS U 168 36.470 27.714 -9.956 1.00 33.06 S ATOM 1628 H CYS U 168 39.410 30.778 -9.253 1.00 0.00 H ATOM 1629 N GLN U 169 37.049 32.074 -11.193 1.00 41.03 N ATOM 1630 CA GLN U 169 36.133 32.951 -11.886 1.00 44.96 C ATOM 1631 C GLN U 169 36.568 33.327 -13.276 1.00 44.01 C ATOM 1632 O GLN U 169 35.854 33.990 -13.953 1.00 45.67 O ATOM 1633 CB GLN U 169 35.704 34.141 -11.065 1.00 48.13 C ATOM 1634 CG GLN U 169 34.739 33.728 -10.006 1.00 50.16 C ATOM 1635 CD GLN U 169 34.305 34.865 -9.126 1.00 52.01 C ATOM 1636 OE1 GLN U 169 35.035 35.801 -8.919 1.00 54.72 O ATOM 1637 NE2 GLN U 169 33.092 34.796 -8.634 1.00 53.16 N ATOM 1638 HE22 GLN U 169 32.495 33.969 -8.837 1.00 0.00 H ATOM 1639 HE21 GLN U 169 32.727 35.568 -8.040 1.00 0.00 H ATOM 1640 H GLN U 169 37.719 32.461 -10.498 1.00 0.00 H ATOM 1641 N GLN U 170 37.724 32.893 -13.712 1.00 43.44 N ATOM 1642 CA GLN U 170 38.187 33.158 -15.041 1.00 43.07 C ATOM 1643 C GLN U 170 37.179 32.604 -15.967 1.00 42.38 C ATOM 1644 O GLN U 170 36.518 31.692 -15.686 1.00 40.11 O ATOM 1645 CB GLN U 170 39.502 32.521 -15.347 1.00 44.80 C ATOM 1646 CG GLN U 170 40.664 33.140 -14.695 1.00 46.35 C ATOM 1647 CD GLN U 170 41.932 32.430 -15.049 1.00 48.76 C ATOM 1648 OE1 GLN U 170 42.721 32.903 -15.880 1.00 50.15 O ATOM 1649 NE2 GLN U 170 42.142 31.295 -14.426 1.00 49.64 N ATOM 1650 HE22 GLN U 170 41.447 30.943 -13.737 1.00 0.00 H ATOM 1651 HE21 GLN U 170 43.004 30.747 -14.621 1.00 0.00 H ATOM 1652 H GLN U 170 38.326 32.337 -13.072 1.00 0.00 H ATOM 1653 N PRO U 170A 37.184 33.430 -17.174 1.00 41.50 N ATOM 1654 CA PRO U 170A 36.170 32.968 -18.118 1.00 41.59 C ATOM 1655 C PRO U 170A 36.349 31.543 -18.602 1.00 41.54 C ATOM 1656 O PRO U 170A 35.365 30.901 -18.850 1.00 42.33 O ATOM 1657 CB PRO U 170A 36.339 33.922 -19.285 1.00 41.87 C ATOM 1658 CG PRO U 170A 36.745 35.170 -18.640 1.00 42.07 C ATOM 1659 CD PRO U 170A 37.819 34.681 -17.830 1.00 42.17 C ATOM 1660 N HIS U 170B 37.574 31.103 -18.816 1.00 41.76 N ATOM 1661 CA HIS U 170B 37.772 29.758 -19.316 1.00 42.61 C ATOM 1662 C HIS U 170B 37.550 28.693 -18.264 1.00 39.68 C ATOM 1663 O HIS U 170B 37.423 27.564 -18.589 1.00 40.07 O ATOM 1664 CB HIS U 170B 39.084 29.579 -20.050 1.00 45.26 C ATOM 1665 CG HIS U 170B 40.279 29.883 -19.219 1.00 48.38 C ATOM 1666 ND1 HIS U 170B 40.491 31.113 -18.650 1.00 50.74 N ATOM 1667 CD2 HIS U 170B 41.339 29.125 -18.874 1.00 50.79 C ATOM 1668 CE1 HIS U 170B 41.620 31.091 -17.966 1.00 51.24 C ATOM 1669 NE2 HIS U 170B 42.160 29.900 -18.101 1.00 51.37 N ATOM 1670 H HIS U 170B 38.392 31.717 -18.627 1.00 0.00 H ATOM 1671 N TYR U 171 37.509 29.076 -17.015 1.00 36.95 N ATOM 1672 CA TYR U 171 37.028 28.200 -15.979 1.00 34.39 C ATOM 1673 C TYR U 171 35.497 28.289 -15.925 1.00 32.92 C ATOM 1674 O TYR U 171 34.868 27.807 -16.833 1.00 31.95 O ATOM 1675 CB TYR U 171 37.702 28.528 -14.683 1.00 35.35 C ATOM 1676 CG TYR U 171 39.110 28.027 -14.554 1.00 35.85 C ATOM 1677 CD1 TYR U 171 40.026 28.217 -15.534 1.00 37.79 C ATOM 1678 CD2 TYR U 171 39.524 27.416 -13.426 1.00 36.72 C ATOM 1679 CE1 TYR U 171 41.329 27.795 -15.377 1.00 37.80 C ATOM 1680 CE2 TYR U 171 40.812 26.996 -13.247 1.00 37.83 C ATOM 1681 CZ TYR U 171 41.710 27.175 -14.247 1.00 37.78 C ATOM 1682 OH TYR U 171 42.970 26.745 -14.070 1.00 37.59 O ATOM 1683 HH TYR U 171 43.368 27.206 -13.290 1.00 0.00 H ATOM 1684 H TYR U 171 37.830 30.033 -16.765 1.00 0.00 H ATOM 1685 N TYR U 172 34.909 28.959 -14.945 1.00 30.27 N ATOM 1686 CA TYR U 172 33.447 29.003 -14.787 1.00 30.26 C ATOM 1687 C TYR U 172 32.803 30.392 -14.860 1.00 31.79 C ATOM 1688 O TYR U 172 31.582 30.496 -14.759 1.00 32.10 O ATOM 1689 CB TYR U 172 33.045 28.318 -13.472 1.00 28.49 C ATOM 1690 CG TYR U 172 33.227 26.821 -13.508 1.00 26.14 C ATOM 1691 CD1 TYR U 172 32.629 26.049 -14.506 1.00 26.32 C ATOM 1692 CD2 TYR U 172 33.994 26.170 -12.548 1.00 25.26 C ATOM 1693 CE1 TYR U 172 32.801 24.671 -14.548 1.00 25.45 C ATOM 1694 CE2 TYR U 172 34.167 24.798 -12.580 1.00 24.09 C ATOM 1695 CZ TYR U 172 33.565 24.054 -13.580 1.00 24.69 C ATOM 1696 OH TYR U 172 33.728 22.686 -13.625 1.00 23.94 O ATOM 1697 HH TYR U 172 33.379 22.286 -12.790 1.00 0.00 H ATOM 1698 H TYR U 172 35.502 29.473 -14.263 1.00 0.00 H ATOM 1699 N GLY U 173 33.588 31.451 -15.051 1.00 34.54 N ATOM 1700 CA GLY U 173 33.006 32.791 -15.156 1.00 35.43 C ATOM 1701 C GLY U 173 32.301 33.145 -13.862 1.00 36.67 C ATOM 1702 O GLY U 173 32.829 32.892 -12.776 1.00 36.70 O ATOM 1703 H GLY U 173 34.618 31.326 -15.126 1.00 0.00 H ATOM 1704 N SER U 174 31.081 33.663 -13.979 1.00 37.96 N ATOM 1705 CA SER U 174 30.273 34.040 -12.815 1.00 39.12 C ATOM 1706 C SER U 174 29.397 32.936 -12.224 1.00 39.31 C ATOM 1707 O SER U 174 28.675 33.180 -11.254 1.00 37.58 O ATOM 1708 CB SER U 174 29.425 35.254 -13.150 1.00 39.96 C ATOM 1709 OG SER U 174 30.298 36.323 -13.447 1.00 41.80 O ATOM 1710 HG SER U 174 29.767 37.129 -13.669 1.00 0.00 H ATOM 1711 H SER U 174 30.686 33.806 -14.931 1.00 0.00 H ATOM 1712 N GLU U 175 29.477 31.726 -12.785 1.00 40.39 N ATOM 1713 CA GLU U 175 28.749 30.568 -12.250 1.00 40.07 C ATOM 1714 C GLU U 175 29.181 30.260 -10.810 1.00 38.38 C ATOM 1715 O GLU U 175 28.360 29.850 -9.988 1.00 37.22 O ATOM 1716 CB GLU U 175 28.954 29.336 -13.144 1.00 42.43 C ATOM 1717 CG GLU U 175 28.351 29.463 -14.541 1.00 45.02 C ATOM 1718 CD GLU U 175 28.749 28.325 -15.470 1.00 48.25 C ATOM 1719 OE1 GLU U 175 27.841 27.669 -16.026 1.00 51.34 O ATOM 1720 OE2 GLU U 175 29.962 28.084 -15.650 1.00 49.94 O ATOM 1721 H GLU U 175 30.074 31.600 -13.627 1.00 0.00 H ATOM 1722 N VAL U 176 30.465 30.477 -10.522 1.00 36.51 N ATOM 1723 CA VAL U 176 31.022 30.295 -9.167 1.00 36.04 C ATOM 1724 C VAL U 176 30.838 31.573 -8.344 1.00 34.76 C ATOM 1725 O VAL U 176 31.205 32.654 -8.785 1.00 35.64 O ATOM 1726 CB VAL U 176 32.509 29.817 -9.172 1.00 36.36 C ATOM 1727 CG1 VAL U 176 33.360 30.571 -10.187 1.00 37.21 C ATOM 1728 CG2 VAL U 176 33.133 29.899 -7.779 1.00 36.54 C ATOM 1729 H VAL U 176 31.101 30.788 -11.284 1.00 0.00 H ATOM 1730 N THR U 177 30.258 31.433 -7.155 1.00 34.32 N ATOM 1731 CA THR U 177 30.034 32.554 -6.237 1.00 33.06 C ATOM 1732 C THR U 177 30.951 32.432 -5.017 1.00 32.76 C ATOM 1733 O THR U 177 31.657 31.433 -4.860 1.00 31.51 O ATOM 1734 CB THR U 177 28.563 32.599 -5.779 1.00 33.07 C ATOM 1735 OG1 THR U 177 28.256 31.441 -4.991 1.00 32.30 O ATOM 1736 CG2 THR U 177 27.626 32.647 -6.982 1.00 33.51 C ATOM 1737 HG1 THR U 177 27.310 31.481 -4.703 1.00 0.00 H ATOM 1738 H THR U 177 29.949 30.484 -6.863 1.00 0.00 H ATOM 1739 N THR U 178 30.925 33.442 -4.146 1.00 31.61 N ATOM 1740 CA THR U 178 31.687 33.402 -2.888 1.00 31.60 C ATOM 1741 C THR U 178 31.178 32.361 -1.884 1.00 28.67 C ATOM 1742 O THR U 178 31.868 32.080 -0.914 1.00 28.48 O ATOM 1743 CB THR U 178 31.699 34.770 -2.171 1.00 33.42 C ATOM 1744 OG1 THR U 178 30.361 35.262 -2.067 1.00 35.60 O ATOM 1745 CG2 THR U 178 32.548 35.764 -2.922 1.00 33.95 C ATOM 1746 HG1 THR U 178 30.368 36.139 -1.608 1.00 0.00 H ATOM 1747 H THR U 178 30.350 34.281 -4.362 1.00 0.00 H ATOM 1748 N LYS U 179 29.980 31.811 -2.104 1.00 27.69 N ATOM 1749 CA LYS U 179 29.464 30.697 -1.303 1.00 27.67 C ATOM 1750 C LYS U 179 29.823 29.324 -1.896 1.00 25.38 C ATOM 1751 O LYS U 179 29.314 28.305 -1.439 1.00 23.63 O ATOM 1752 CB LYS U 179 27.951 30.852 -1.104 1.00 29.81 C ATOM 1753 CG LYS U 179 27.624 32.018 -0.178 1.00 31.61 C ATOM 1754 CD LYS U 179 26.265 32.637 -0.442 1.00 33.47 C ATOM 1755 CE LYS U 179 25.145 31.635 -0.275 1.00 33.73 C ATOM 1756 NZ LYS U 179 23.855 32.266 0.130 1.00 35.61 N ATOM 1757 HZ1 LYS U 179 23.980 32.756 1.039 1.00 0.00 H ATOM 1758 HZ2 LYS U 179 23.562 32.950 -0.596 1.00 0.00 H ATOM 1759 HZ3 LYS U 179 23.127 31.530 0.229 1.00 0.00 H ATOM 1760 H LYS U 179 29.391 32.188 -2.874 1.00 0.00 H ATOM 1761 N MET U 180 30.706 29.315 -2.897 1.00 24.43 N ATOM 1762 CA MET U 180 31.255 28.096 -3.478 1.00 24.40 C ATOM 1763 C MET U 180 32.777 28.080 -3.341 1.00 24.62 C ATOM 1764 O MET U 180 33.409 29.125 -3.153 1.00 23.38 O ATOM 1765 CB MET U 180 30.886 28.029 -4.953 1.00 24.65 C ATOM 1766 CG MET U 180 29.392 27.982 -5.214 1.00 25.49 C ATOM 1767 SD MET U 180 29.028 28.108 -6.972 1.00 25.53 S ATOM 1768 CE MET U 180 27.274 28.472 -6.943 1.00 26.94 C ATOM 1769 H MET U 180 31.020 30.228 -3.284 1.00 0.00 H ATOM 1770 N LEU U 181 33.348 26.880 -3.431 1.00 24.31 N ATOM 1771 CA LEU U 181 34.800 26.664 -3.471 1.00 24.91 C ATOM 1772 C LEU U 181 35.109 25.786 -4.662 1.00 25.10 C ATOM 1773 O LEU U 181 34.363 24.849 -4.937 1.00 23.51 O ATOM 1774 CB LEU U 181 35.285 25.932 -2.222 1.00 26.75 C ATOM 1775 CG LEU U 181 35.253 26.681 -0.897 1.00 27.91 C ATOM 1776 CD1 LEU U 181 35.622 25.744 0.241 1.00 28.75 C ATOM 1777 CD2 LEU U 181 36.186 27.884 -0.923 1.00 29.11 C ATOM 1778 H LEU U 181 32.728 26.046 -3.476 1.00 0.00 H ATOM 1779 N CYS U 182 36.205 26.086 -5.353 1.00 24.31 N ATOM 1780 CA CYS U 182 36.698 25.241 -6.435 1.00 24.70 C ATOM 1781 C CYS U 182 37.905 24.447 -5.981 1.00 23.27 C ATOM 1782 O CYS U 182 38.724 24.936 -5.208 1.00 23.20 O ATOM 1783 CB CYS U 182 37.084 26.081 -7.638 1.00 26.18 C ATOM 1784 SG CYS U 182 35.680 26.957 -8.335 1.00 28.69 S ATOM 1785 H CYS U 182 36.728 26.952 -5.114 1.00 0.00 H ATOM 1786 N ALA U 183 38.011 23.216 -6.471 1.00 22.05 N ATOM 1787 CA ALA U 183 39.185 22.387 -6.214 1.00 21.82 C ATOM 1788 C ALA U 183 39.429 21.469 -7.397 1.00 21.91 C ATOM 1789 O ALA U 183 38.488 21.062 -8.075 1.00 20.93 O ATOM 1790 CB ALA U 183 39.022 21.590 -4.926 1.00 21.64 C ATOM 1791 H ALA U 183 37.238 22.834 -7.052 1.00 0.00 H ATOM 1792 N ALA U 184 40.695 21.215 -7.657 1.00 22.70 N ATOM 1793 CA ALA U 184 41.079 20.409 -8.789 1.00 22.88 C ATOM 1794 C ALA U 184 42.487 19.877 -8.666 1.00 24.04 C ATOM 1795 O ALA U 184 43.227 20.301 -7.863 1.00 23.75 O ATOM 1796 CB ALA U 184 40.950 21.193 -10.050 1.00 23.33 C ATOM 1797 H ALA U 184 41.432 21.603 -7.034 1.00 0.00 H ATOM 1798 N ASP U 185 42.803 18.910 -9.506 1.00 24.26 N ATOM 1799 CA ASP U 185 44.142 18.385 -9.604 1.00 25.29 C ATOM 1800 C ASP U 185 44.952 19.246 -10.574 1.00 25.89 C ATOM 1801 O ASP U 185 44.478 19.619 -11.585 1.00 26.36 O ATOM 1802 CB ASP U 185 44.108 16.918 -10.057 1.00 25.41 C ATOM 1803 CG ASP U 185 45.492 16.303 -10.165 1.00 26.07 C ATOM 1804 OD1 ASP U 185 46.049 15.892 -9.182 1.00 27.26 O ATOM 1805 OD2 ASP U 185 45.994 16.258 -11.256 1.00 27.67 O ATOM 1806 H ASP U 185 42.061 18.513 -10.118 1.00 0.00 H ATOM 1807 N PRO U 185A 46.286 19.471 -10.203 1.00 27.65 N ATOM 1808 CA PRO U 185A 47.067 20.262 -11.166 1.00 28.58 C ATOM 1809 C PRO U 185A 47.122 19.693 -12.592 1.00 29.29 C ATOM 1810 O PRO U 185A 47.276 20.454 -13.517 1.00 29.75 O ATOM 1811 CB PRO U 185A 48.461 20.262 -10.572 1.00 28.39 C ATOM 1812 CG PRO U 185A 48.235 20.242 -9.129 1.00 28.89 C ATOM 1813 CD PRO U 185A 47.214 19.193 -8.993 1.00 27.70 C ATOM 1814 N GLN U 185B 47.046 18.387 -12.743 1.00 30.08 N ATOM 1815 CA GLN U 185B 46.968 17.778 -14.059 1.00 30.00 C ATOM 1816 C GLN U 185B 45.561 17.452 -14.531 1.00 29.19 C ATOM 1817 O GLN U 185B 45.392 16.913 -15.592 1.00 28.01 O ATOM 1818 CB GLN U 185B 47.809 16.513 -14.128 1.00 31.31 C ATOM 1819 CG GLN U 185B 49.304 16.725 -14.003 1.00 32.98 C ATOM 1820 CD GLN U 185B 50.017 16.902 -15.339 1.00 33.95 C ATOM 1821 OE1 GLN U 185B 49.557 16.527 -16.342 1.00 33.33 O ATOM 1822 NE2 GLN U 185B 51.132 17.507 -15.297 1.00 36.38 N ATOM 1823 HE22 GLN U 185B 51.515 17.829 -14.385 1.00 0.00 H ATOM 1824 HE21 GLN U 185B 51.663 17.681 -16.174 1.00 0.00 H ATOM 1825 H GLN U 185B 47.042 17.778 -11.900 1.00 0.00 H ATOM 1826 N TRP U 186 44.637 17.788 -13.812 1.00 27.01 N ATOM 1827 CA TRP U 186 43.231 17.492 -14.031 1.00 26.34 C ATOM 1828 C TRP U 186 42.937 15.995 -14.097 1.00 25.55 C ATOM 1829 O TRP U 186 41.956 15.616 -14.646 1.00 24.21 O ATOM 1830 CB TRP U 186 42.700 18.222 -15.268 1.00 26.68 C ATOM 1831 CG TRP U 186 43.105 19.641 -15.313 1.00 27.82 C ATOM 1832 CD1 TRP U 186 44.189 20.142 -15.922 1.00 28.09 C ATOM 1833 CD2 TRP U 186 42.454 20.742 -14.695 1.00 27.63 C ATOM 1834 NE1 TRP U 186 44.283 21.467 -15.723 1.00 28.97 N ATOM 1835 CE2 TRP U 186 43.208 21.874 -14.989 1.00 28.25 C ATOM 1836 CE3 TRP U 186 41.316 20.880 -13.928 1.00 27.66 C ATOM 1837 CZ2 TRP U 186 42.861 23.110 -14.549 1.00 28.32 C ATOM 1838 CZ3 TRP U 186 40.969 22.096 -13.509 1.00 27.75 C ATOM 1839 CH2 TRP U 186 41.734 23.206 -13.805 1.00 28.25 C ATOM 1840 HE1 TRP U 186 45.048 22.080 -16.071 1.00 0.00 H ATOM 1841 H TRP U 186 44.876 18.338 -12.962 1.00 0.00 H ATOM 1842 N LYS U 187 43.773 15.199 -13.489 1.00 25.49 N ATOM 1843 CA LYS U 187 43.656 13.768 -13.619 1.00 27.39 C ATOM 1844 C LYS U 187 42.766 13.053 -12.598 1.00 25.30 C ATOM 1845 O LYS U 187 42.508 11.894 -12.708 1.00 25.26 O ATOM 1846 CB LYS U 187 45.041 13.149 -13.647 1.00 30.64 C ATOM 1847 CG LYS U 187 45.622 13.064 -12.286 1.00 35.41 C ATOM 1848 CD LYS U 187 47.067 12.667 -12.207 1.00 37.94 C ATOM 1849 CE LYS U 187 47.466 12.575 -10.744 1.00 39.54 C ATOM 1850 NZ LYS U 187 48.219 13.739 -10.262 1.00 40.26 N ATOM 1851 HZ1 LYS U 187 49.094 13.838 -10.816 1.00 0.00 H ATOM 1852 HZ2 LYS U 187 47.639 14.595 -10.372 1.00 0.00 H ATOM 1853 HZ3 LYS U 187 48.456 13.606 -9.258 1.00 0.00 H ATOM 1854 H LYS U 187 44.533 15.601 -12.904 1.00 0.00 H ATOM 1855 N THR U 188 42.327 13.767 -11.584 1.00 23.83 N ATOM 1856 CA THR U 188 41.512 13.169 -10.552 1.00 23.12 C ATOM 1857 C THR U 188 40.477 14.205 -10.098 1.00 22.49 C ATOM 1858 O THR U 188 40.755 15.360 -10.134 1.00 21.96 O ATOM 1859 CB THR U 188 42.387 12.613 -9.413 1.00 23.20 C ATOM 1860 OG1 THR U 188 41.600 11.888 -8.503 1.00 22.57 O ATOM 1861 CG2 THR U 188 43.072 13.699 -8.684 1.00 23.15 C ATOM 1862 HG1 THR U 188 41.164 11.134 -8.973 1.00 0.00 H ATOM 1863 H THR U 188 42.570 14.776 -11.525 1.00 0.00 H ATOM 1864 N ASP U 189 39.285 13.755 -9.736 1.00 21.15 N ATOM 1865 CA ASP U 189 38.153 14.669 -9.539 1.00 20.37 C ATOM 1866 C ASP U 189 36.953 13.933 -8.962 1.00 19.74 C ATOM 1867 O ASP U 189 36.918 12.702 -8.961 1.00 19.06 O ATOM 1868 CB ASP U 189 37.744 15.278 -10.894 1.00 20.55 C ATOM 1869 CG ASP U 189 37.040 16.618 -10.768 1.00 20.84 C ATOM 1870 OD1 ASP U 189 36.795 17.102 -9.644 1.00 20.72 O ATOM 1871 OD2 ASP U 189 36.718 17.190 -11.827 1.00 21.59 O ATOM 1872 H ASP U 189 39.148 12.735 -9.588 1.00 0.00 H ATOM 1873 N SER U 190 35.975 14.694 -8.472 1.00 18.63 N ATOM 1874 CA SER U 190 34.641 14.165 -8.197 1.00 18.75 C ATOM 1875 C SER U 190 33.851 14.021 -9.505 1.00 18.97 C ATOM 1876 O SER U 190 34.219 14.592 -10.534 1.00 18.56 O ATOM 1877 CB SER U 190 33.886 15.067 -7.210 1.00 19.81 C ATOM 1878 OG SER U 190 33.998 16.434 -7.562 1.00 19.79 O ATOM 1879 HG SER U 190 33.501 16.984 -6.906 1.00 0.00 H ATOM 1880 H SER U 190 36.168 15.698 -8.279 1.00 0.00 H ATOM 1881 N CYS U 191 32.771 13.263 -9.474 1.00 18.80 N ATOM 1882 CA CYS U 191 31.949 12.990 -10.640 1.00 19.89 C ATOM 1883 C CYS U 191 30.518 12.646 -10.218 1.00 19.69 C ATOM 1884 O CYS U 191 30.205 12.703 -9.077 1.00 18.97 O ATOM 1885 CB CYS U 191 32.521 11.847 -11.451 1.00 20.38 C ATOM 1886 SG CYS U 191 32.037 11.822 -13.189 1.00 22.75 S ATOM 1887 H CYS U 191 32.494 12.838 -8.566 1.00 0.00 H ATOM 1888 N GLN U 192 29.680 12.293 -11.165 1.00 20.02 N ATOM 1889 CA GLN U 192 28.303 11.965 -10.868 1.00 20.40 C ATOM 1890 C GLN U 192 28.265 10.829 -9.833 1.00 19.06 C ATOM 1891 O GLN U 192 28.998 9.921 -9.932 1.00 18.01 O ATOM 1892 CB GLN U 192 27.666 11.489 -12.167 1.00 22.85 C ATOM 1893 CG GLN U 192 26.259 10.998 -12.068 1.00 26.05 C ATOM 1894 CD GLN U 192 25.666 10.631 -13.421 1.00 28.21 C ATOM 1895 OE1 GLN U 192 26.346 10.280 -14.322 1.00 30.65 O ATOM 1896 NE2 GLN U 192 24.404 10.767 -13.531 1.00 31.79 N ATOM 1897 HE22 GLN U 192 23.841 11.078 -12.714 1.00 0.00 H ATOM 1898 HE21 GLN U 192 23.937 10.567 -14.438 1.00 0.00 H ATOM 1899 H GLN U 192 30.013 12.248 -12.149 1.00 0.00 H ATOM 1900 N GLY U 193 27.402 10.973 -8.847 1.00 17.53 N ATOM 1901 CA GLY U 193 27.301 10.094 -7.714 1.00 17.00 C ATOM 1902 C GLY U 193 28.133 10.473 -6.503 1.00 16.86 C ATOM 1903 O GLY U 193 27.888 9.991 -5.467 1.00 17.33 O ATOM 1904 H GLY U 193 26.748 11.780 -8.892 1.00 0.00 H ATOM 1905 N ASP U 194 29.082 11.376 -6.663 1.00 16.12 N ATOM 1906 CA ASP U 194 29.831 11.922 -5.524 1.00 16.53 C ATOM 1907 C ASP U 194 29.152 13.122 -4.863 1.00 16.11 C ATOM 1908 O ASP U 194 29.598 13.561 -3.794 1.00 15.82 O ATOM 1909 CB ASP U 194 31.242 12.338 -5.952 1.00 16.69 C ATOM 1910 CG ASP U 194 32.085 11.164 -6.381 1.00 17.01 C ATOM 1911 OD1 ASP U 194 32.052 10.126 -5.689 1.00 17.16 O ATOM 1912 OD2 ASP U 194 32.799 11.276 -7.408 1.00 17.41 O ATOM 1913 H ASP U 194 29.306 11.710 -7.622 1.00 0.00 H ATOM 1914 N SER U 195 28.108 13.671 -5.495 1.00 16.17 N ATOM 1915 CA SER U 195 27.402 14.842 -4.965 1.00 15.98 C ATOM 1916 C SER U 195 26.996 14.620 -3.519 1.00 15.38 C ATOM 1917 O SER U 195 26.648 13.508 -3.134 1.00 15.17 O ATOM 1918 CB SER U 195 26.153 15.147 -5.772 1.00 16.98 C ATOM 1919 OG SER U 195 26.498 15.550 -7.080 1.00 17.73 O ATOM 1920 HG SER U 195 27.001 14.823 -7.526 1.00 0.00 H ATOM 1921 H SER U 195 27.787 13.253 -6.392 1.00 0.00 H ATOM 1922 N GLY U 196 27.061 15.687 -2.733 1.00 14.72 N ATOM 1923 CA GLY U 196 26.670 15.632 -1.338 1.00 14.70 C ATOM 1924 C GLY U 196 27.772 15.165 -0.407 1.00 15.17 C ATOM 1925 O GLY U 196 27.670 15.365 0.804 1.00 15.17 O ATOM 1926 H GLY U 196 27.401 16.587 -3.128 1.00 0.00 H ATOM 1927 N GLY U 197 28.822 14.545 -0.952 1.00 15.19 N ATOM 1928 CA GLY U 197 29.916 14.048 -0.139 1.00 15.51 C ATOM 1929 C GLY U 197 30.864 15.126 0.361 1.00 15.72 C ATOM 1930 O GLY U 197 30.780 16.283 -0.059 1.00 15.21 O ATOM 1931 H GLY U 197 28.856 14.415 -1.983 1.00 0.00 H ATOM 1932 N PRO U 198 31.803 14.735 1.241 1.00 15.81 N ATOM 1933 CA PRO U 198 32.709 15.658 1.918 1.00 16.65 C ATOM 1934 C PRO U 198 33.940 16.067 1.127 1.00 17.07 C ATOM 1935 O PRO U 198 34.576 15.227 0.506 1.00 18.32 O ATOM 1936 CB PRO U 198 33.162 14.860 3.139 1.00 16.13 C ATOM 1937 CG PRO U 198 33.086 13.446 2.713 1.00 16.12 C ATOM 1938 CD PRO U 198 31.942 13.356 1.749 1.00 15.82 C ATOM 1939 N LEU U 199 34.269 17.353 1.190 1.00 18.03 N ATOM 1940 CA LEU U 199 35.607 17.854 0.903 1.00 18.61 C ATOM 1941 C LEU U 199 36.188 18.204 2.278 1.00 19.07 C ATOM 1942 O LEU U 199 35.663 19.082 2.977 1.00 17.78 O ATOM 1943 CB LEU U 199 35.540 19.076 -0.014 1.00 20.14 C ATOM 1944 CG LEU U 199 36.801 19.904 -0.319 1.00 21.96 C ATOM 1945 CD1 LEU U 199 37.642 19.279 -1.416 1.00 22.87 C ATOM 1946 CD2 LEU U 199 36.430 21.323 -0.730 1.00 22.55 C ATOM 1947 H LEU U 199 33.533 18.037 1.458 1.00 0.00 H ATOM 1948 N VAL U 200 37.240 17.484 2.675 1.00 19.88 N ATOM 1949 CA VAL U 200 37.793 17.584 4.031 1.00 21.09 C ATOM 1950 C VAL U 200 39.210 18.132 3.962 1.00 22.05 C ATOM 1951 O VAL U 200 40.044 17.630 3.206 1.00 20.34 O ATOM 1952 CB VAL U 200 37.756 16.219 4.763 1.00 21.86 C ATOM 1953 CG1 VAL U 200 38.546 16.248 6.067 1.00 22.79 C ATOM 1954 CG2 VAL U 200 36.315 15.818 5.034 1.00 21.89 C ATOM 1955 H VAL U 200 37.683 16.829 2.000 1.00 0.00 H ATOM 1956 N CYS U 201 39.477 19.159 4.771 1.00 23.16 N ATOM 1957 CA CYS U 201 40.795 19.784 4.836 1.00 25.78 C ATOM 1958 C CYS U 201 41.255 19.804 6.291 1.00 27.31 C ATOM 1959 O CYS U 201 40.435 19.813 7.211 1.00 26.33 O ATOM 1960 CB CYS U 201 40.754 21.215 4.281 1.00 26.11 C ATOM 1961 SG CYS U 201 39.964 21.424 2.663 1.00 27.53 S ATOM 1962 H CYS U 201 38.718 19.528 5.378 1.00 0.00 H ATOM 1963 N SER U 202 42.572 19.795 6.487 1.00 30.87 N ATOM 1964 CA SER U 202 43.157 19.994 7.809 1.00 34.96 C ATOM 1965 C SER U 202 43.159 21.494 8.098 1.00 37.28 C ATOM 1966 O SER U 202 43.806 22.263 7.384 1.00 38.55 O ATOM 1967 CB SER U 202 44.580 19.442 7.866 1.00 36.07 C ATOM 1968 OG SER U 202 45.177 19.744 9.113 1.00 37.88 O ATOM 1969 HG SER U 202 44.643 19.337 9.840 1.00 0.00 H ATOM 1970 H SER U 202 43.202 19.642 5.674 1.00 0.00 H ATOM 1971 N LEU U 203 42.425 21.904 9.129 1.00 40.75 N ATOM 1972 CA LEU U 203 42.288 23.319 9.467 1.00 44.84 C ATOM 1973 C LEU U 203 42.533 23.493 10.963 1.00 47.26 C ATOM 1974 O LEU U 203 41.791 22.951 11.788 1.00 46.17 O ATOM 1975 CB LEU U 203 40.901 23.820 9.038 1.00 46.31 C ATOM 1976 CG LEU U 203 40.695 25.294 8.656 1.00 47.09 C ATOM 1977 CD1 LEU U 203 41.868 25.898 7.890 1.00 47.34 C ATOM 1978 CD2 LEU U 203 39.411 25.424 7.848 1.00 47.51 C ATOM 1979 H LEU U 203 41.934 21.196 9.712 1.00 0.00 H ATOM 1980 N GLN U 204 43.590 24.240 11.297 1.00 51.49 N ATOM 1981 CA GLN U 204 44.137 24.312 12.662 1.00 52.51 C ATOM 1982 C GLN U 204 44.339 22.912 13.272 1.00 51.55 C ATOM 1983 O GLN U 204 43.850 22.604 14.365 1.00 51.79 O ATOM 1984 CB GLN U 204 43.286 25.229 13.567 1.00 54.89 C ATOM 1985 CG GLN U 204 43.694 26.703 13.550 1.00 56.80 C ATOM 1986 CD GLN U 204 43.081 27.499 12.407 1.00 59.02 C ATOM 1987 OE1 GLN U 204 41.887 27.382 12.120 1.00 60.01 O ATOM 1988 NE2 GLN U 204 43.893 28.337 11.765 1.00 60.33 N ATOM 1989 HE22 GLN U 204 44.894 28.404 12.040 1.00 0.00 H ATOM 1990 HE21 GLN U 204 43.526 28.924 10.989 1.00 0.00 H ATOM 1991 H GLN U 204 44.051 24.801 10.552 1.00 0.00 H ATOM 1992 N GLY U 205 45.058 22.072 12.530 1.00 50.15 N ATOM 1993 CA GLY U 205 45.414 20.722 12.968 1.00 49.79 C ATOM 1994 C GLY U 205 44.247 19.788 13.238 1.00 47.83 C ATOM 1995 O GLY U 205 44.353 18.901 14.085 1.00 49.14 O ATOM 1996 H GLY U 205 45.382 22.391 11.595 1.00 0.00 H ATOM 1997 N ARG U 206 43.145 19.980 12.511 1.00 45.46 N ATOM 1998 CA ARG U 206 41.929 19.184 12.688 1.00 42.65 C ATOM 1999 C ARG U 206 41.260 18.946 11.334 1.00 37.22 C ATOM 2000 O ARG U 206 41.119 19.881 10.549 1.00 34.87 O ATOM 2001 CB ARG U 206 40.965 19.914 13.637 1.00 45.39 C ATOM 2002 CG ARG U 206 39.538 19.377 13.651 1.00 47.72 C ATOM 2003 CD ARG U 206 38.684 20.027 14.726 1.00 49.92 C ATOM 2004 NE ARG U 206 38.866 19.400 16.036 1.00 53.11 N ATOM 2005 CZ ARG U 206 38.024 19.505 17.069 1.00 54.91 C ATOM 2006 NH1 ARG U 206 36.899 20.220 16.983 1.00 56.01 N ATOM 2007 NH2 ARG U 206 38.310 18.882 18.212 1.00 55.79 N ATOM 2008 HE ARG U 206 39.721 18.825 16.175 1.00 0.00 H ATOM 2009 HH12 ARG U 206 36.261 20.286 17.801 1.00 0.00 H ATOM 2010 HH11 ARG U 206 36.661 20.711 16.098 1.00 0.00 H ATOM 2011 HH22 ARG U 206 37.662 18.957 19.022 1.00 0.00 H ATOM 2012 HH21 ARG U 206 39.182 18.321 18.294 1.00 0.00 H ATOM 2013 H ARG U 206 43.150 20.727 11.788 1.00 0.00 H ATOM 2014 N MET U 207 40.841 17.708 11.068 1.00 34.55 N ATOM 2015 CA MET U 207 40.063 17.410 9.856 1.00 32.39 C ATOM 2016 C MET U 207 38.707 18.093 9.972 1.00 30.14 C ATOM 2017 O MET U 207 38.002 17.910 10.965 1.00 29.00 O ATOM 2018 CB MET U 207 39.888 15.904 9.654 1.00 33.98 C ATOM 2019 CG MET U 207 41.190 15.188 9.334 1.00 35.27 C ATOM 2020 SD MET U 207 41.856 15.633 7.716 1.00 37.79 S ATOM 2021 CE MET U 207 41.468 14.143 6.812 1.00 38.23 C ATOM 2022 H MET U 207 41.069 16.939 11.730 1.00 0.00 H ATOM 2023 N THR U 208 38.366 18.877 8.947 1.00 27.08 N ATOM 2024 CA THR U 208 37.234 19.796 8.974 1.00 25.82 C ATOM 2025 C THR U 208 36.441 19.705 7.671 1.00 23.18 C ATOM 2026 O THR U 208 37.033 19.621 6.596 1.00 20.78 O ATOM 2027 CB THR U 208 37.751 21.234 9.154 1.00 28.28 C ATOM 2028 OG1 THR U 208 38.508 21.308 10.372 1.00 30.57 O ATOM 2029 CG2 THR U 208 36.614 22.227 9.220 1.00 29.14 C ATOM 2030 HG1 THR U 208 39.273 20.681 10.323 1.00 0.00 H ATOM 2031 H THR U 208 38.940 18.830 8.081 1.00 0.00 H ATOM 2032 N LEU U 209 35.111 19.731 7.771 1.00 20.93 N ATOM 2033 CA LEU U 209 34.261 19.700 6.578 1.00 20.55 C ATOM 2034 C LEU U 209 34.260 21.065 5.886 1.00 20.60 C ATOM 2035 O LEU U 209 33.476 21.947 6.233 1.00 21.81 O ATOM 2036 CB LEU U 209 32.834 19.277 6.931 1.00 20.72 C ATOM 2037 CG LEU U 209 31.897 19.097 5.731 1.00 20.72 C ATOM 2038 CD1 LEU U 209 32.329 17.901 4.888 1.00 21.23 C ATOM 2039 CD2 LEU U 209 30.457 18.944 6.194 1.00 20.92 C ATOM 2040 H LEU U 209 34.670 19.774 8.712 1.00 0.00 H ATOM 2041 N THR U 210 35.131 21.221 4.896 1.00 19.57 N ATOM 2042 CA THR U 210 35.328 22.493 4.204 1.00 19.86 C ATOM 2043 C THR U 210 34.312 22.694 3.071 1.00 19.51 C ATOM 2044 O THR U 210 33.843 23.821 2.830 1.00 19.52 O ATOM 2045 CB THR U 210 36.785 22.602 3.693 1.00 20.90 C ATOM 2046 OG1 THR U 210 37.674 22.672 4.821 1.00 22.42 O ATOM 2047 CG2 THR U 210 37.004 23.824 2.837 1.00 21.14 C ATOM 2048 HG1 THR U 210 38.608 22.742 4.500 1.00 0.00 H ATOM 2049 H THR U 210 35.698 20.401 4.600 1.00 0.00 H ATOM 2050 N GLY U 211 33.968 21.608 2.385 1.00 18.13 N ATOM 2051 CA GLY U 211 33.053 21.684 1.263 1.00 18.07 C ATOM 2052 C GLY U 211 32.154 20.481 1.117 1.00 17.15 C ATOM 2053 O GLY U 211 32.383 19.443 1.739 1.00 17.37 O ATOM 2054 H GLY U 211 34.363 20.686 2.659 1.00 0.00 H ATOM 2055 N ILE U 212 31.116 20.650 0.302 1.00 16.68 N ATOM 2056 CA ILE U 212 30.179 19.585 -0.056 1.00 16.25 C ATOM 2057 C ILE U 212 30.170 19.500 -1.576 1.00 15.97 C ATOM 2058 O ILE U 212 29.968 20.515 -2.235 1.00 15.40 O ATOM 2059 CB ILE U 212 28.755 19.892 0.464 1.00 16.79 C ATOM 2060 CG1 ILE U 212 28.751 19.954 1.996 1.00 17.23 C ATOM 2061 CG2 ILE U 212 27.742 18.867 -0.042 1.00 16.63 C ATOM 2062 CD1 ILE U 212 27.489 20.556 2.573 1.00 18.15 C ATOM 2063 H ILE U 212 30.962 21.595 -0.104 1.00 0.00 H ATOM 2064 N VAL U 213 30.367 18.297 -2.127 1.00 15.42 N ATOM 2065 CA VAL U 213 30.431 18.120 -3.594 1.00 15.95 C ATOM 2066 C VAL U 213 29.122 18.605 -4.217 1.00 15.77 C ATOM 2067 O VAL U 213 28.059 18.132 -3.846 1.00 15.59 O ATOM 2068 CB VAL U 213 30.660 16.643 -4.010 1.00 15.83 C ATOM 2069 CG1 VAL U 213 30.709 16.522 -5.532 1.00 16.00 C ATOM 2070 CG2 VAL U 213 31.939 16.072 -3.401 1.00 16.13 C ATOM 2071 H VAL U 213 30.478 17.467 -1.510 1.00 0.00 H ATOM 2072 N SER U 214 29.205 19.532 -5.175 1.00 16.58 N ATOM 2073 CA SER U 214 28.005 20.183 -5.712 1.00 17.17 C ATOM 2074 C SER U 214 27.861 20.032 -7.231 1.00 17.89 C ATOM 2075 O SER U 214 26.859 19.494 -7.701 1.00 18.77 O ATOM 2076 CB SER U 214 27.985 21.658 -5.338 1.00 17.78 C ATOM 2077 OG SER U 214 26.789 22.270 -5.802 1.00 17.67 O ATOM 2078 HG SER U 214 26.009 21.821 -5.390 1.00 0.00 H ATOM 2079 H SER U 214 30.139 19.798 -5.548 1.00 0.00 H ATOM 2080 N TRP U 215 28.832 20.526 -7.989 1.00 18.72 N ATOM 2081 CA TRP U 215 28.719 20.510 -9.448 1.00 19.86 C ATOM 2082 C TRP U 215 30.049 20.652 -10.166 1.00 19.75 C ATOM 2083 O TRP U 215 31.080 20.930 -9.562 1.00 19.14 O ATOM 2084 CB TRP U 215 27.726 21.583 -9.936 1.00 20.80 C ATOM 2085 CG TRP U 215 28.115 23.001 -9.636 1.00 21.62 C ATOM 2086 CD1 TRP U 215 27.879 23.689 -8.488 1.00 21.76 C ATOM 2087 CD2 TRP U 215 28.801 23.903 -10.509 1.00 22.27 C ATOM 2088 NE1 TRP U 215 28.368 24.968 -8.585 1.00 22.48 N ATOM 2089 CE2 TRP U 215 28.947 25.125 -9.816 1.00 22.76 C ATOM 2090 CE3 TRP U 215 29.301 23.801 -11.814 1.00 23.08 C ATOM 2091 CZ2 TRP U 215 29.586 26.238 -10.379 1.00 23.25 C ATOM 2092 CZ3 TRP U 215 29.937 24.908 -12.376 1.00 23.19 C ATOM 2093 CH2 TRP U 215 30.074 26.109 -11.657 1.00 23.11 C ATOM 2094 HE1 TRP U 215 28.309 25.697 -7.846 1.00 0.00 H ATOM 2095 H TRP U 215 29.681 20.928 -7.542 1.00 0.00 H ATOM 2096 N GLY U 216 30.012 20.415 -11.462 1.00 20.72 N ATOM 2097 CA GLY U 216 31.118 20.703 -12.324 1.00 21.73 C ATOM 2098 C GLY U 216 30.724 20.467 -13.768 1.00 23.01 C ATOM 2099 O GLY U 216 29.766 19.852 -14.030 1.00 22.39 O ATOM 2100 H GLY U 216 29.149 20.004 -11.873 1.00 0.00 H ATOM 2101 N ARG U 217 31.537 20.930 -14.691 1.00 24.80 N ATOM 2102 CA ARG U 217 31.326 20.633 -16.091 1.00 27.01 C ATOM 2103 C ARG U 217 32.165 19.404 -16.387 1.00 26.13 C ATOM 2104 O ARG U 217 33.331 19.450 -16.253 1.00 25.21 O ATOM 2105 CB ARG U 217 31.829 21.773 -16.942 1.00 29.25 C ATOM 2106 CG ARG U 217 31.896 21.425 -18.391 1.00 32.37 C ATOM 2107 CD ARG U 217 30.511 21.529 -18.911 1.00 35.44 C ATOM 2108 NE ARG U 217 30.195 22.936 -19.038 1.00 39.16 N ATOM 2109 CZ ARG U 217 29.029 23.398 -19.438 1.00 41.59 C ATOM 2110 NH1 ARG U 217 28.052 22.560 -19.718 1.00 42.71 N ATOM 2111 NH2 ARG U 217 28.851 24.697 -19.531 1.00 43.78 N ATOM 2112 HE ARG U 217 30.936 23.625 -18.798 1.00 0.00 H ATOM 2113 HH12 ARG U 217 27.130 22.923 -20.034 1.00 0.00 H ATOM 2114 HH11 ARG U 217 28.203 21.535 -19.623 1.00 0.00 H ATOM 2115 HH22 ARG U 217 27.935 25.075 -19.846 1.00 0.00 H ATOM 2116 HH21 ARG U 217 29.626 25.347 -19.290 1.00 0.00 H ATOM 2117 H ARG U 217 32.346 21.520 -14.410 1.00 0.00 H ATOM 2118 N GLY U 219 31.501 18.307 -16.708 1.00 27.74 N ATOM 2119 CA GLY U 219 32.159 17.031 -16.881 1.00 26.14 C ATOM 2120 C GLY U 219 32.835 16.579 -15.600 1.00 24.75 C ATOM 2121 O GLY U 219 32.445 16.992 -14.548 1.00 23.74 O ATOM 2122 H GLY U 219 30.471 18.364 -16.841 1.00 0.00 H ATOM 2123 N CYS U 220 33.866 15.756 -15.727 1.00 23.22 N ATOM 2124 CA CYS U 220 34.668 15.323 -14.624 1.00 22.81 C ATOM 2125 C CYS U 220 36.122 15.240 -15.082 1.00 22.76 C ATOM 2126 O CYS U 220 36.363 14.715 -16.102 1.00 22.72 O ATOM 2127 CB CYS U 220 34.158 13.963 -14.145 1.00 22.58 C ATOM 2128 SG CYS U 220 32.424 13.792 -13.804 1.00 23.33 S ATOM 2129 H CYS U 220 34.104 15.407 -16.677 1.00 0.00 H ATOM 2130 N ALA U 221 37.060 15.734 -14.303 1.00 22.67 N ATOM 2131 CA ALA U 221 38.483 15.637 -14.623 1.00 24.18 C ATOM 2132 C ALA U 221 38.774 16.175 -16.032 1.00 25.14 C ATOM 2133 O ALA U 221 39.551 15.577 -16.780 1.00 24.42 O ATOM 2134 CB ALA U 221 38.965 14.191 -14.463 1.00 24.17 C ATOM 2135 H ALA U 221 36.778 16.213 -13.424 1.00 0.00 H ATOM 2136 N LEU U 222 38.113 17.287 -16.377 1.00 26.83 N ATOM 2137 CA LEU U 222 38.330 18.005 -17.637 1.00 28.55 C ATOM 2138 C LEU U 222 39.224 19.205 -17.366 1.00 28.20 C ATOM 2139 O LEU U 222 39.085 19.874 -16.339 1.00 27.21 O ATOM 2140 CB LEU U 222 37.016 18.536 -18.230 1.00 30.43 C ATOM 2141 CG LEU U 222 35.969 17.631 -18.876 1.00 31.60 C ATOM 2142 CD1 LEU U 222 34.832 18.502 -19.390 1.00 31.82 C ATOM 2143 CD2 LEU U 222 36.556 16.813 -20.014 1.00 33.36 C ATOM 2144 H LEU U 222 37.406 17.663 -15.714 1.00 0.00 H ATOM 2145 N LYS U 223 40.120 19.489 -18.308 1.00 27.75 N ATOM 2146 CA LYS U 223 40.989 20.659 -18.222 1.00 29.87 C ATOM 2147 C LYS U 223 40.162 21.946 -18.086 1.00 29.00 C ATOM 2148 O LYS U 223 39.141 22.109 -18.753 1.00 28.68 O ATOM 2149 CB LYS U 223 41.915 20.753 -19.446 1.00 31.57 C ATOM 2150 CG LYS U 223 43.122 21.650 -19.212 1.00 33.92 C ATOM 2151 CD LYS U 223 43.771 22.101 -20.510 1.00 35.78 C ATOM 2152 CE LYS U 223 44.962 23.015 -20.244 1.00 37.66 C ATOM 2153 NZ LYS U 223 45.126 24.036 -21.316 1.00 38.86 N ATOM 2154 HZ1 LYS U 223 45.277 23.559 -22.228 1.00 0.00 H ATOM 2155 HZ2 LYS U 223 44.269 24.623 -21.368 1.00 0.00 H ATOM 2156 HZ3 LYS U 223 45.946 24.637 -21.098 1.00 0.00 H ATOM 2157 H LYS U 223 40.204 18.858 -19.131 1.00 0.00 H ATOM 2158 N ASP U 223A 40.613 22.821 -17.187 1.00 29.51 N ATOM 2159 CA ASP U 223A 39.981 24.108 -16.872 1.00 29.16 C ATOM 2160 C ASP U 223A 38.558 24.025 -16.313 1.00 27.66 C ATOM 2161 O ASP U 223A 37.837 25.017 -16.341 1.00 27.85 O ATOM 2162 CB ASP U 223A 40.010 25.050 -18.095 1.00 30.96 C ATOM 2163 CG ASP U 223A 41.417 25.369 -18.565 1.00 32.81 C ATOM 2164 OD1 ASP U 223A 42.395 25.149 -17.812 1.00 34.08 O ATOM 2165 OD2 ASP U 223A 41.537 25.858 -19.706 1.00 35.70 O ATOM 2166 H ASP U 223A 41.480 22.573 -16.669 1.00 0.00 H ATOM 2167 N LYS U 224 38.162 22.869 -15.777 1.00 25.81 N ATOM 2168 CA LYS U 224 36.811 22.688 -15.237 1.00 24.35 C ATOM 2169 C LYS U 224 36.911 22.022 -13.867 1.00 23.34 C ATOM 2170 O LYS U 224 36.709 20.818 -13.737 1.00 23.31 O ATOM 2171 CB LYS U 224 35.935 21.880 -16.200 1.00 25.20 C ATOM 2172 CG LYS U 224 35.811 22.466 -17.608 1.00 26.52 C ATOM 2173 CD LYS U 224 35.109 23.822 -17.645 1.00 27.40 C ATOM 2174 CE LYS U 224 35.492 24.610 -18.894 1.00 28.54 C ATOM 2175 NZ LYS U 224 34.940 25.989 -18.870 1.00 29.41 N ATOM 2176 HZ1 LYS U 224 33.902 25.945 -18.818 1.00 0.00 H ATOM 2177 HZ2 LYS U 224 35.309 26.494 -18.039 1.00 0.00 H ATOM 2178 HZ3 LYS U 224 35.224 26.490 -19.736 1.00 0.00 H ATOM 2179 H LYS U 224 38.831 22.073 -15.741 1.00 0.00 H ATOM 2180 N PRO U 225 37.248 22.807 -12.832 1.00 21.79 N ATOM 2181 CA PRO U 225 37.365 22.246 -11.479 1.00 21.06 C ATOM 2182 C PRO U 225 36.062 21.667 -10.920 1.00 20.46 C ATOM 2183 O PRO U 225 34.977 21.941 -11.430 1.00 20.26 O ATOM 2184 CB PRO U 225 37.797 23.445 -10.610 1.00 21.83 C ATOM 2185 CG PRO U 225 38.063 24.576 -11.526 1.00 22.15 C ATOM 2186 CD PRO U 225 37.678 24.217 -12.918 1.00 22.09 C ATOM 2187 N GLY U 226 36.185 20.868 -9.866 1.00 19.70 N ATOM 2188 CA GLY U 226 35.031 20.529 -9.046 1.00 19.28 C ATOM 2189 C GLY U 226 34.609 21.759 -8.278 1.00 18.36 C ATOM 2190 O GLY U 226 35.463 22.542 -7.848 1.00 17.98 O ATOM 2191 H GLY U 226 37.119 20.479 -9.623 1.00 0.00 H ATOM 2192 N VAL U 227 33.301 21.926 -8.109 1.00 18.30 N ATOM 2193 CA VAL U 227 32.753 23.042 -7.352 1.00 17.83 C ATOM 2194 C VAL U 227 31.984 22.484 -6.163 1.00 17.89 C ATOM 2195 O VAL U 227 31.234 21.516 -6.292 1.00 17.85 O ATOM 2196 CB VAL U 227 31.865 23.962 -8.205 1.00 18.53 C ATOM 2197 CG1 VAL U 227 31.538 25.235 -7.426 1.00 18.47 C ATOM 2198 CG2 VAL U 227 32.558 24.292 -9.524 1.00 18.65 C ATOM 2199 H VAL U 227 32.647 21.236 -8.532 1.00 0.00 H ATOM 2200 N TYR U 228 32.216 23.110 -5.013 1.00 17.95 N ATOM 2201 CA TYR U 228 31.778 22.628 -3.715 1.00 18.28 C ATOM 2202 C TYR U 228 31.041 23.739 -2.973 1.00 18.28 C ATOM 2203 O TYR U 228 31.408 24.904 -3.075 1.00 19.51 O ATOM 2204 CB TYR U 228 32.998 22.189 -2.894 1.00 18.38 C ATOM 2205 CG TYR U 228 33.764 21.065 -3.545 1.00 18.78 C ATOM 2206 CD1 TYR U 228 34.651 21.318 -4.593 1.00 18.88 C ATOM 2207 CD2 TYR U 228 33.586 19.748 -3.137 1.00 19.10 C ATOM 2208 CE1 TYR U 228 35.332 20.291 -5.220 1.00 19.32 C ATOM 2209 CE2 TYR U 228 34.274 18.712 -3.754 1.00 19.26 C ATOM 2210 CZ TYR U 228 35.139 18.990 -4.798 1.00 19.53 C ATOM 2211 OH TYR U 228 35.825 17.968 -5.425 1.00 20.78 O ATOM 2212 HH TYR U 228 36.393 18.345 -6.142 1.00 0.00 H ATOM 2213 H TYR U 228 32.746 24.004 -5.045 1.00 0.00 H ATOM 2214 N THR U 229 30.003 23.377 -2.228 1.00 18.63 N ATOM 2215 CA THR U 229 29.321 24.335 -1.365 1.00 18.85 C ATOM 2216 C THR U 229 30.268 24.703 -0.223 1.00 19.40 C ATOM 2217 O THR U 229 30.822 23.828 0.443 1.00 19.55 O ATOM 2218 CB THR U 229 28.008 23.756 -0.818 1.00 19.35 C ATOM 2219 OG1 THR U 229 27.156 23.415 -1.916 1.00 19.53 O ATOM 2220 CG2 THR U 229 27.304 24.754 0.092 1.00 19.56 C ATOM 2221 HG1 THR U 229 26.307 23.041 -1.570 1.00 0.00 H ATOM 2222 H THR U 229 29.670 22.392 -2.260 1.00 0.00 H ATOM 2223 N ARG U 230 30.455 26.002 -0.011 1.00 19.96 N ATOM 2224 CA ARG U 230 31.454 26.506 0.923 1.00 21.41 C ATOM 2225 C ARG U 230 30.853 26.518 2.328 1.00 20.88 C ATOM 2226 O ARG U 230 30.169 27.469 2.700 1.00 21.06 O ATOM 2227 CB ARG U 230 31.877 27.908 0.485 1.00 23.65 C ATOM 2228 CG ARG U 230 33.026 28.528 1.253 1.00 25.70 C ATOM 2229 CD ARG U 230 33.364 29.865 0.617 1.00 27.60 C ATOM 2230 NE ARG U 230 34.681 30.366 0.989 1.00 29.96 N ATOM 2231 CZ ARG U 230 35.240 31.476 0.504 1.00 31.32 C ATOM 2232 NH1 ARG U 230 34.603 32.236 -0.387 1.00 31.26 N ATOM 2233 NH2 ARG U 230 36.453 31.835 0.918 1.00 32.42 N ATOM 2234 HE ARG U 230 35.226 29.817 1.684 1.00 0.00 H ATOM 2235 HH12 ARG U 230 35.055 33.098 -0.753 1.00 0.00 H ATOM 2236 HH11 ARG U 230 33.654 31.967 -0.716 1.00 0.00 H ATOM 2237 HH22 ARG U 230 36.895 32.699 0.545 1.00 0.00 H ATOM 2238 HH21 ARG U 230 36.958 31.252 1.615 1.00 0.00 H ATOM 2239 H ARG U 230 29.867 26.684 -0.531 1.00 0.00 H ATOM 2240 N VAL U 231 31.140 25.474 3.103 1.00 19.19 N ATOM 2241 CA VAL U 231 30.441 25.187 4.367 1.00 19.11 C ATOM 2242 C VAL U 231 30.597 26.317 5.393 1.00 19.85 C ATOM 2243 O VAL U 231 29.642 26.637 6.116 1.00 20.03 O ATOM 2244 CB VAL U 231 30.893 23.821 4.958 1.00 18.86 C ATOM 2245 CG1 VAL U 231 30.297 23.580 6.341 1.00 19.19 C ATOM 2246 CG2 VAL U 231 30.504 22.686 4.006 1.00 18.76 C ATOM 2247 H VAL U 231 31.897 24.828 2.800 1.00 0.00 H ATOM 2248 N SER U 232 31.771 26.944 5.415 1.00 20.43 N ATOM 2249 CA SER U 232 32.039 28.061 6.334 1.00 21.86 C ATOM 2250 C SER U 232 31.176 29.317 6.108 1.00 22.88 C ATOM 2251 O SER U 232 31.234 30.238 6.924 1.00 23.86 O ATOM 2252 CB SER U 232 33.509 28.460 6.269 1.00 21.68 C ATOM 2253 OG SER U 232 33.801 29.143 5.062 1.00 22.56 O ATOM 2254 HG SER U 232 34.760 29.389 5.047 1.00 0.00 H ATOM 2255 H SER U 232 32.521 26.635 4.764 1.00 0.00 H ATOM 2256 N HIS U 233 30.442 29.382 4.992 1.00 22.67 N ATOM 2257 CA HIS U 233 29.503 30.477 4.723 1.00 23.57 C ATOM 2258 C HIS U 233 28.044 30.128 5.058 1.00 23.16 C ATOM 2259 O HIS U 233 27.154 30.961 4.851 1.00 24.23 O ATOM 2260 CB HIS U 233 29.618 30.915 3.254 1.00 24.21 C ATOM 2261 CG HIS U 233 30.830 31.746 2.955 1.00 25.58 C ATOM 2262 ND1 HIS U 233 32.077 31.480 3.480 1.00 26.57 N ATOM 2263 CD2 HIS U 233 30.984 32.831 2.161 1.00 26.04 C ATOM 2264 CE1 HIS U 233 32.943 32.371 3.032 1.00 26.59 C ATOM 2265 NE2 HIS U 233 32.305 33.199 2.226 1.00 27.64 N ATOM 2266 H HIS U 233 30.541 28.625 4.286 1.00 0.00 H ATOM 2267 N PHE U 234 27.795 28.921 5.577 1.00 21.97 N ATOM 2268 CA PHE U 234 26.441 28.454 5.891 1.00 21.23 C ATOM 2269 C PHE U 234 26.273 28.065 7.360 1.00 21.17 C ATOM 2270 O PHE U 234 25.330 27.363 7.698 1.00 21.45 O ATOM 2271 CB PHE U 234 26.086 27.247 5.009 1.00 21.17 C ATOM 2272 CG PHE U 234 25.847 27.594 3.572 1.00 21.01 C ATOM 2273 CD1 PHE U 234 26.898 27.648 2.676 1.00 20.82 C ATOM 2274 CD2 PHE U 234 24.564 27.885 3.116 1.00 21.15 C ATOM 2275 CE1 PHE U 234 26.693 27.968 1.342 1.00 21.27 C ATOM 2276 CE2 PHE U 234 24.346 28.204 1.783 1.00 21.39 C ATOM 2277 CZ PHE U 234 25.411 28.248 0.894 1.00 21.69 C ATOM 2278 H PHE U 234 28.597 28.286 5.766 1.00 0.00 H ATOM 2279 N LEU U 235 27.164 28.516 8.246 1.00 22.27 N ATOM 2280 CA LEU U 235 27.097 28.074 9.648 1.00 22.61 C ATOM 2281 C LEU U 235 25.801 28.489 10.381 1.00 22.49 C ATOM 2282 O LEU U 235 25.233 27.683 11.115 1.00 21.96 O ATOM 2283 CB LEU U 235 28.343 28.492 10.438 1.00 23.30 C ATOM 2284 CG LEU U 235 29.682 27.913 9.958 1.00 24.50 C ATOM 2285 CD1 LEU U 235 30.824 28.417 10.826 1.00 25.65 C ATOM 2286 CD2 LEU U 235 29.664 26.390 9.946 1.00 24.27 C ATOM 2287 H LEU U 235 27.906 29.180 7.945 1.00 0.00 H ATOM 2288 N PRO U 236 25.318 29.732 10.171 1.00 24.33 N ATOM 2289 CA PRO U 236 24.038 30.111 10.792 1.00 24.51 C ATOM 2290 C PRO U 236 22.870 29.245 10.331 1.00 24.18 C ATOM 2291 O PRO U 236 22.052 28.849 11.147 1.00 25.06 O ATOM 2292 CB PRO U 236 23.842 31.564 10.348 1.00 24.77 C ATOM 2293 CG PRO U 236 25.208 32.047 10.054 1.00 25.04 C ATOM 2294 CD PRO U 236 25.934 30.873 9.475 1.00 24.52 C ATOM 2295 N TRP U 237 22.826 28.935 9.037 1.00 23.93 N ATOM 2296 CA TRP U 237 21.810 28.034 8.492 1.00 23.75 C ATOM 2297 C TRP U 237 21.903 26.638 9.123 1.00 23.72 C ATOM 2298 O TRP U 237 20.878 26.064 9.519 1.00 23.91 O ATOM 2299 CB TRP U 237 21.909 27.983 6.959 1.00 23.87 C ATOM 2300 CG TRP U 237 20.818 27.191 6.317 1.00 23.63 C ATOM 2301 CD1 TRP U 237 19.586 27.646 5.931 1.00 23.81 C ATOM 2302 CD2 TRP U 237 20.853 25.797 5.993 1.00 23.10 C ATOM 2303 NE1 TRP U 237 18.850 26.615 5.387 1.00 23.71 N ATOM 2304 CE2 TRP U 237 19.604 25.468 5.418 1.00 22.97 C ATOM 2305 CE3 TRP U 237 21.819 24.789 6.138 1.00 22.56 C ATOM 2306 CZ2 TRP U 237 19.296 24.173 4.982 1.00 22.71 C ATOM 2307 CZ3 TRP U 237 21.514 23.503 5.697 1.00 22.98 C ATOM 2308 CH2 TRP U 237 20.259 23.208 5.127 1.00 22.56 C ATOM 2309 HE1 TRP U 237 17.882 26.693 5.014 1.00 0.00 H ATOM 2310 H TRP U 237 23.534 29.345 8.395 1.00 0.00 H ATOM 2311 N ILE U 238 23.120 26.119 9.234 1.00 24.06 N ATOM 2312 CA ILE U 238 23.318 24.812 9.833 1.00 24.52 C ATOM 2313 C ILE U 238 22.955 24.768 11.299 1.00 26.79 C ATOM 2314 O ILE U 238 22.323 23.877 11.732 1.00 26.73 O ATOM 2315 CB ILE U 238 24.760 24.292 9.671 1.00 23.64 C ATOM 2316 CG1 ILE U 238 25.150 24.199 8.205 1.00 23.72 C ATOM 2317 CG2 ILE U 238 24.924 22.946 10.336 1.00 23.72 C ATOM 2318 CD1 ILE U 238 26.628 24.051 7.940 1.00 23.80 C ATOM 2319 H ILE U 238 23.941 26.655 8.888 1.00 0.00 H ATOM 2320 N ARG U 239 23.399 25.746 12.040 1.00 30.34 N ATOM 2321 CA ARG U 239 23.119 25.805 13.467 1.00 34.28 C ATOM 2322 C ARG U 239 21.652 25.999 13.736 1.00 34.94 C ATOM 2323 O ARG U 239 21.098 25.368 14.592 1.00 35.82 O ATOM 2324 CB ARG U 239 23.918 26.896 14.124 1.00 37.01 C ATOM 2325 CG ARG U 239 25.319 26.490 14.423 1.00 40.46 C ATOM 2326 CD ARG U 239 26.010 27.523 15.293 1.00 43.99 C ATOM 2327 NE ARG U 239 25.855 28.856 14.743 1.00 47.57 N ATOM 2328 CZ ARG U 239 26.820 29.538 14.169 1.00 49.89 C ATOM 2329 NH1 ARG U 239 28.018 29.024 14.091 1.00 50.65 N ATOM 2330 NH2 ARG U 239 26.575 30.718 13.678 1.00 50.89 N ATOM 2331 HE ARG U 239 24.918 29.302 14.807 1.00 0.00 H ATOM 2332 HH12 ARG U 239 28.785 29.560 13.638 1.00 0.00 H ATOM 2333 HH11 ARG U 239 28.205 28.079 14.482 1.00 0.00 H ATOM 2334 HH22 ARG U 239 27.337 31.260 13.223 1.00 0.00 H ATOM 2335 HH21 ARG U 239 25.617 31.119 13.741 1.00 0.00 H ATOM 2336 H ARG U 239 23.965 26.500 11.601 1.00 0.00 H ATOM 2337 N SER U 240 21.034 26.846 12.962 1.00 35.98 N ATOM 2338 CA SER U 240 19.618 27.061 13.096 1.00 36.87 C ATOM 2339 C SER U 240 18.763 25.882 12.756 1.00 37.13 C ATOM 2340 O SER U 240 17.852 25.617 13.457 1.00 37.54 O ATOM 2341 CB SER U 240 19.183 28.296 12.336 1.00 37.88 C ATOM 2342 OG SER U 240 18.938 28.036 10.985 1.00 39.04 O ATOM 2343 HG SER U 240 19.764 27.692 10.561 1.00 0.00 H ATOM 2344 H SER U 240 21.569 27.371 12.241 1.00 0.00 H ATOM 2345 N HIS U 241 19.063 25.173 11.685 1.00 35.61 N ATOM 2346 CA HIS U 241 18.258 24.007 11.281 1.00 36.25 C ATOM 2347 C HIS U 241 18.584 22.676 11.986 1.00 37.20 C ATOM 2348 O HIS U 241 17.903 21.682 11.735 1.00 37.61 O ATOM 2349 CB HIS U 241 18.287 23.850 9.757 1.00 36.05 C ATOM 2350 CG HIS U 241 17.522 24.918 9.042 1.00 35.71 C ATOM 2351 ND1 HIS U 241 18.089 26.115 8.660 1.00 36.23 N ATOM 2352 CD2 HIS U 241 16.222 24.983 8.674 1.00 36.10 C ATOM 2353 CE1 HIS U 241 17.173 26.864 8.071 1.00 36.02 C ATOM 2354 NE2 HIS U 241 16.033 26.199 8.064 1.00 36.40 N ATOM 2355 H HIS U 241 19.888 25.444 11.112 1.00 0.00 H ATOM 2356 N THR U 242 19.587 22.645 12.870 1.00 39.02 N ATOM 2357 CA THR U 242 19.880 21.434 13.657 1.00 41.29 C ATOM 2358 C THR U 242 19.461 21.576 15.136 1.00 47.73 C ATOM 2359 O THR U 242 20.238 21.254 16.039 1.00 48.54 O ATOM 2360 CB THR U 242 21.368 21.021 13.536 1.00 39.58 C ATOM 2361 OG1 THR U 242 22.215 22.090 13.970 1.00 36.98 O ATOM 2362 CG2 THR U 242 21.711 20.658 12.093 1.00 38.75 C ATOM 2363 HG1 THR U 242 22.053 22.888 13.406 1.00 0.00 H ATOM 2364 H THR U 242 20.173 23.494 13.005 1.00 0.00 H TER 2365 THR U 242 HETATM 2366 O HOH 1 17.888 20.848 -9.550 1.00 43.72 O HETATM 2367 O HOH 2 26.208 13.180 -8.135 1.00 26.44 O HETATM 2368 O HOH 3 30.935 -0.334 9.792 1.00 25.14 O HETATM 2369 O HOH 4 23.143 8.648 -8.105 1.00 53.61 O HETATM 2370 O HOH 5 45.227 17.858 10.939 1.00 52.90 O HETATM 2371 O HOH 6 45.382 16.677 -6.738 1.00 26.06 O HETATM 2372 O HOH 7 37.528 18.500 -7.396 1.00 21.52 O HETATM 2373 O HOH 8 32.460 3.857 -12.387 1.00 20.04 O HETATM 2374 O HOH 9 25.362 -3.856 11.257 1.00 27.60 O HETATM 2375 O HOH 10 27.307 33.839 4.151 1.00 46.58 O HETATM 2376 O HOH 11 40.367 -4.717 13.781 1.00 30.77 O HETATM 2377 O HOH 12 29.051 9.282 -3.165 1.00 16.79 O HETATM 2378 O HOH 13 33.783 14.417 -18.362 1.00 25.87 O HETATM 2379 O HOH 14 16.033 12.316 -5.374 1.00 53.95 O HETATM 2380 O HOH 15 44.427 19.649 4.546 1.00 37.06 O HETATM 2381 O HOH 16 23.776 14.285 -7.948 1.00 27.65 O HETATM 2382 O HOH 17 28.767 16.289 3.124 1.00 14.48 O HETATM 2383 O HOH 18 30.340 18.590 13.598 1.00 27.15 O HETATM 2384 O HOH 19 16.839 9.758 -6.710 1.00 44.59 O HETATM 2385 O HOH 20 48.001 21.000 1.766 1.00 41.78 O HETATM 2386 O HOH 21 29.925 6.334 8.397 1.00 20.86 O HETATM 2387 O HOH 22 14.268 28.075 -4.145 1.00 29.46 O HETATM 2388 O HOH 23 30.275 11.482 -2.161 1.00 15.02 O HETATM 2389 O HOH 24 26.220 25.544 -3.378 1.00 28.91 O HETATM 2390 O HOH 25 44.448 6.518 -9.511 1.00 28.80 O HETATM 2391 O HOH 26 35.719 18.505 -14.863 1.00 25.68 O HETATM 2392 O HOH 27 40.926 17.856 -11.292 1.00 21.28 O HETATM 2393 O HOH 28 13.060 7.605 5.382 1.00 25.55 O HETATM 2394 O HOH 29 34.001 6.835 -6.435 1.00 16.88 O HETATM 2395 O HOH 30 33.597 3.698 -19.720 1.00 42.68 O HETATM 2396 O HOH 31 32.260 -6.270 6.235 1.00 34.43 O HETATM 2397 O HOH 32 38.660 18.911 -12.889 1.00 28.51 O HETATM 2398 O HOH 33 27.616 25.012 -5.617 1.00 35.72 O HETATM 2399 O HOH 34 38.311 13.984 -18.751 1.00 31.90 O HETATM 2400 O HOH 35 21.449 5.337 -8.912 1.00 44.82 O HETATM 2401 O HOH 36 28.788 31.100 8.069 1.00 26.14 O HETATM 2402 O HOH 37 14.691 -0.670 3.333 1.00 60.29 O HETATM 2403 O HOH 38 33.393 1.308 -11.562 1.00 28.35 O HETATM 2404 O HOH 39 21.999 30.396 4.338 1.00 25.72 O HETATM 2405 O HOH 40 15.262 29.397 -7.038 1.00 36.60 O HETATM 2406 O HOH 41 36.784 1.761 -19.353 1.00 32.70 O HETATM 2407 O HOH 42 37.151 28.772 -5.636 1.00 35.80 O HETATM 2408 O HOH 43 11.303 6.243 14.642 1.00 51.84 O HETATM 2409 O HOH 44 33.327 16.223 15.698 1.00 49.52 O HETATM 2410 O HOH 45 14.115 27.856 6.715 1.00 51.48 O HETATM 2411 O HOH 46 31.567 26.170 13.716 1.00 42.58 O HETATM 2412 O HOH 47 29.702 -5.712 -3.190 1.00 37.83 O HETATM 2413 O HOH 48 34.940 -8.652 8.844 1.00 38.29 O HETATM 2414 O HOH 49 25.578 30.577 -4.334 1.00 30.19 O HETATM 2415 O HOH 50 10.671 8.937 7.395 1.00 39.33 O HETATM 2416 O HOH 51 44.600 29.526 -6.827 1.00 36.86 O HETATM 2417 O HOH 52 24.037 -0.069 -7.881 1.00 44.39 O HETATM 2418 O HOH 53 17.509 7.026 -8.229 1.00 56.35 O HETATM 2419 O HOH 54 16.149 26.817 4.266 1.00 29.22 O HETATM 2420 O HOH 55 37.280 6.159 13.778 1.00 43.38 O HETATM 2421 O HOH 56 22.331 2.356 -7.497 1.00 39.98 O HETATM 2422 O HOH 57 34.322 0.106 16.785 1.00 40.81 O HETATM 2423 O HOH 58 12.960 21.515 3.253 1.00 30.24 O HETATM 2424 O HOH 59 36.681 16.226 12.962 1.00 35.65 O HETATM 2425 O HOH 60 20.049 8.112 19.909 1.00 51.36 O HETATM 2426 O HOH 61 36.476 24.535 13.509 1.00 48.17 O HETATM 2427 O HOH 62 32.582 18.992 -7.170 1.00 26.99 O HETATM 2428 O HOH 63 13.913 24.714 4.693 1.00 49.44 O HETATM 2429 O HOH 64 16.655 11.451 15.459 1.00 34.17 O HETATM 2430 O HOH 65 35.186 -1.428 6.336 1.00 44.38 O HETATM 2431 O HOH 66 29.371 -8.535 5.013 1.00 59.29 O HETATM 2432 O HOH 67 16.953 15.254 -7.339 1.00 38.00 O HETATM 2433 O HOH 68 18.260 18.069 16.694 1.00 39.65 O HETATM 2434 O HOH 69 28.665 4.836 5.006 1.00 17.16 O HETATM 2435 O HOH 70 16.578 1.559 10.734 1.00 31.75 O HETATM 2436 O HOH 71 31.556 2.835 20.776 1.00 48.11 O HETATM 2437 O HOH 72 15.115 34.676 0.600 1.00 57.17 O HETATM 2438 O HOH 73 35.222 5.770 18.995 1.00 51.89 O HETATM 2439 O HOH 74 24.838 5.881 -15.173 1.00 36.19 O HETATM 2440 O HOH 75 36.738 13.287 12.839 1.00 44.32 O HETATM 2441 O HOH 76 45.418 24.958 -6.761 1.00 44.28 O HETATM 2442 O HOH 77 22.323 -2.760 8.126 1.00 37.55 O HETATM 2443 O HOH 78 18.475 17.935 -9.389 1.00 52.19 O HETATM 2444 O HOH 79 26.143 0.873 -10.198 1.00 35.75 O HETATM 2445 O HOH 80 22.595 15.054 17.122 1.00 31.93 O HETATM 2446 O HOH 81 49.195 16.578 -10.819 1.00 55.51 O HETATM 2447 O HOH 82 15.943 27.747 -12.655 1.00 38.40 O HETATM 2448 O HOH 83 41.343 4.697 -9.311 1.00 40.84 O HETATM 2449 O HOH 84 23.828 30.703 6.703 1.00 29.97 O HETATM 2450 O HOH 85 31.814 21.062 14.777 1.00 34.69 O HETATM 2451 O HOH 86 6.546 13.985 4.462 1.00 58.18 O HETATM 2452 O HOH 87 21.755 33.359 -2.258 1.00 47.73 O HETATM 2453 O HOH 88 26.310 28.128 -2.458 1.00 32.15 O HETATM 2454 O HOH 89 11.793 18.169 2.103 1.00 57.73 O HETATM 2455 O HOH 90 24.498 10.535 -16.890 1.00 46.74 O HETATM 2456 O HOH 91 18.433 -1.864 -7.352 1.00 48.51 O HETATM 2457 O HOH 92 39.376 32.217 4.838 1.00 47.05 O HETATM 2458 O HOH 93 43.486 43.637 -10.191 1.00 55.90 O HETATM 2459 O HOH 94 22.015 11.355 -8.437 1.00 49.95 O HETATM 2460 O HOH 95 43.661 31.674 11.574 1.00 53.05 O HETATM 2461 O HOH 96 39.809 28.945 -1.702 1.00 50.53 O HETATM 2462 O HOH 97 50.437 20.493 -16.854 1.00 50.72 O HETATM 2463 O HOH 98 22.056 32.808 -5.221 1.00 60.98 O HETATM 2464 O HOH 99 20.891 14.089 -8.225 1.00 60.29 O HETATM 2465 O HOH 100 37.296 29.063 15.898 1.00 56.96 O HETATM 2466 O HOH 101 13.271 23.891 7.524 1.00 48.52 O HETATM 2467 O HOH 102 30.759 -10.483 8.038 1.00 39.55 O HETATM 2468 O HOH 103 15.761 30.120 7.827 1.00 66.47 O HETATM 2469 O HOH 104 15.102 1.344 8.182 1.00 54.28 O HETATM 2470 O HOH 105 24.236 34.236 -3.716 1.00 59.81 O HETATM 2471 O HOH 106 33.151 27.534 15.791 1.00 50.27 O HETATM 2472 C4 UNN A 107 24.276 14.487 -12.031 1.00 -0.03 C HETATM 2473 C5 UNN A 107 25.352 15.504 -12.402 1.00 0.03 C HETATM 2474 N1 UNN A 107 26.621 14.784 -12.453 1.00 -0.28 N HETATM 2475 C6 UNN A 107 26.739 13.444 -13.027 1.00 0.03 C HETATM 2476 C1 UNN A 107 25.865 13.414 -14.276 1.00 -0.03 C HETATM 2477 C2 UNN A 107 24.479 12.869 -13.951 1.00 -0.05 C HETATM 2478 C3 UNN A 107 23.608 13.928 -13.283 1.00 -0.05 C HETATM 2479 H23 UNN A 107 23.435 14.749 -13.994 1.00 0.03 H HETATM 2480 H24 UNN A 107 22.645 13.476 -13.004 1.00 0.03 H HETATM 2481 H9 UNN A 107 24.582 12.010 -13.272 1.00 0.03 H HETATM 2482 H10 UNN A 107 23.995 12.543 -14.883 1.00 0.03 H HETATM 2483 H7 UNN A 107 26.338 12.770 -15.032 1.00 0.03 H HETATM 2484 H8 UNN A 107 25.767 14.435 -14.673 1.00 0.03 H HETATM 2485 H5 UNN A 107 27.786 13.239 -13.294 1.00 0.05 H HETATM 2486 H6 UNN A 107 26.390 12.692 -12.304 1.00 0.05 H HETATM 2487 C7 UNN A 107 27.768 15.398 -11.934 1.00 0.15 C HETATM 2488 N3 UNN A 107 27.759 15.893 -10.678 1.00 -0.24 N HETATM 2489 C10 UNN A 107 28.863 16.487 -10.178 1.00 0.14 C HETATM 2490 C9 UNN A 107 30.005 16.587 -10.953 1.00 0.15 C HETATM 2491 C12 UNN A 107 31.234 17.246 -10.398 1.00 0.22 C HETATM 2492 O1 UNN A 107 31.438 17.209 -9.195 1.00 -0.39 O HETATM 2493 N5 UNN A 107 32.213 17.637 -11.398 1.00 -0.22 N HETATM 2494 C13 UNN A 107 33.392 17.832 -11.050 1.00 0.33 C HETATM 2495 N7 UNN A 107 34.088 18.325 -11.923 1.00 -0.25 N HETATM 2496 H17 UNN A 107 35.081 18.527 -11.737 1.00 0.32 H HETATM 2497 H18 UNN A 107 33.682 18.539 -12.845 1.00 0.32 H HETATM 2498 N6 UNN A 107 33.963 17.503 -9.840 1.00 -0.25 N HETATM 2499 H19 UNN A 107 33.387 17.086 -9.095 1.00 0.32 H HETATM 2500 H20 UNN A 107 34.966 17.674 -9.681 1.00 0.32 H HETATM 2501 H16 UNN A 107 31.943 17.748 -12.354 1.00 0.18 H HETATM 2502 N2 UNN A 107 30.014 16.092 -12.209 1.00 -0.27 N HETATM 2503 C8 UNN A 107 28.910 15.499 -12.709 1.00 0.13 C HETATM 2504 C11 UNN A 107 28.920 14.953 -14.096 1.00 0.14 C HETATM 2505 C16 UNN A 107 28.798 15.702 -15.282 1.00 -0.04 C HETATM 2506 C15 UNN A 107 28.868 14.714 -16.325 1.00 -0.01 C HETATM 2507 C20 UNN A 107 28.805 14.841 -17.706 1.00 -0.07 C HETATM 2508 C19 UNN A 107 28.904 13.686 -18.479 1.00 -0.08 C HETATM 2509 C18 UNN A 107 29.061 12.435 -17.882 1.00 -0.07 C HETATM 2510 C17 UNN A 107 29.122 12.318 -16.496 1.00 -0.03 C HETATM 2511 C14 UNN A 107 29.021 13.485 -15.755 1.00 0.12 C HETATM 2512 O2 UNN A 107 29.053 13.621 -14.444 1.00 -0.25 O HETATM 2513 H12 UNN A 107 29.244 11.354 -16.016 1.00 0.06 H HETATM 2514 H13 UNN A 107 29.136 11.548 -18.501 1.00 0.05 H HETATM 2515 H14 UNN A 107 28.858 13.761 -19.559 1.00 0.05 H HETATM 2516 H15 UNN A 107 28.682 15.813 -18.171 1.00 0.05 H HETATM 2517 H11 UNN A 107 28.678 16.779 -15.386 1.00 0.04 H HETATM 2518 N4 UNN A 107 28.854 16.983 -8.918 1.00 -0.31 N HETATM 2519 H21 UNN A 107 29.697 17.436 -8.537 1.00 0.18 H HETATM 2520 H22 UNN A 107 28.004 16.907 -8.341 1.00 0.18 H HETATM 2521 H3 UNN A 107 25.399 16.298 -11.643 1.00 0.05 H HETATM 2522 H4 UNN A 107 25.130 15.948 -13.384 1.00 0.05 H HETATM 2523 H1 UNN A 107 23.516 14.977 -11.405 1.00 0.03 H HETATM 2524 H2 UNN A 107 24.738 13.662 -11.469 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 307 306 439 CONECT 365 364 1079 CONECT 439 307 438 CONECT 1079 365 1078 CONECT 1310 1309 1961 CONECT 1627 1626 1784 CONECT 1784 1627 1783 CONECT 1886 1885 2128 CONECT 1961 1310 1960 CONECT 2128 1886 2127 CONECT 2472 2473 2478 2523 2524 CONECT 2473 2472 2474 2521 2522 CONECT 2474 2473 2475 2487 CONECT 2475 2474 2476 2485 2486 CONECT 2476 2475 2477 2483 2484 CONECT 2477 2476 2478 2481 2482 CONECT 2478 2472 2477 2479 2480 CONECT 2479 2478 CONECT 2480 2478 CONECT 2481 2477 CONECT 2482 2477 CONECT 2483 2476 CONECT 2484 2476 CONECT 2485 2475 CONECT 2486 2475 CONECT 2487 2474 2488 2503 CONECT 2488 2487 2489 CONECT 2489 2488 2490 2518 CONECT 2490 2489 2491 2502 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 2494 2501 CONECT 2494 2493 2495 2498 CONECT 2495 2494 2496 2497 CONECT 2496 2495 CONECT 2497 2495 CONECT 2498 2494 2499 2500 CONECT 2499 2498 CONECT 2500 2498 CONECT 2501 2493 CONECT 2502 2490 2503 CONECT 2503 2487 2502 2504 CONECT 2504 2503 2505 2512 CONECT 2505 2504 2506 2517 CONECT 2506 2505 2507 2511 CONECT 2507 2506 2508 2516 CONECT 2508 2507 2509 2515 CONECT 2509 2508 2510 2514 CONECT 2510 2509 2511 2513 CONECT 2511 2506 2510 2512 CONECT 2512 2504 2511 CONECT 2513 2510 CONECT 2514 2509 CONECT 2515 2508 CONECT 2516 2507 CONECT 2517 2505 CONECT 2518 2489 2519 2520 CONECT 2519 2518 CONECT 2520 2518 CONECT 2521 2473 CONECT 2522 2473 CONECT 2523 2472 CONECT 2524 2472 MASTER 0 0 0 0 0 0 0 0 2523 1 67 19 END
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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
5za9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
urokinase plasminogen activator
Ligand Name
50I
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
Ki=183nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 8299-8320
Ligand Properties
Formula
C
2
0
H
2
4
N
7
O
2
Molecular Weight
394.450
Exact Mass
394.199
No. of atoms
53
No. of bonds
56
Polar Surface Area
151.26
LOGP Value
4.55 (
Computed with XLOGP3
)
2.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
NC(=[NH+]C(=O)c1nc(c2cc3c(o2)cccc3)c(nc1N)N1CCCCCC1)N
InChI String
InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28)/p+1
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):
P00749
Entrez Gene ID
NCBI Entrez Gene ID:
5328
ASD
Information of known allosteric effects of PDB entries
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